USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=15 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 25 MET CE :methyl -129:sc= -6.22! (180deg=-12.3!) USER MOD Set 1.2: B 663 MET CE :methyl -142:sc= -0.997 (180deg=-3.42!) USER MOD Set 2.1: B 652 TYR OH : rot 99:sc= 0.526 USER MOD Set 2.2: B 653 GLN : amide:sc= -0.402 K(o=0.12,f=-3.3!) USER MOD Set 3.1: B 637 GLN : amide:sc= -1.3 K(o=-2.5,f=-4!) USER MOD Set 3.2: B 641 GLN : amide:sc= -1.23 K(o=-2.5,f=-4.2!) USER MOD Set 4.1: A 75 ASN : amide:sc= -1.12 X(o=-1.3,f=-1.1) USER MOD Set 4.2: B 648 THR OG1 : rot 169:sc= -0.177 USER MOD Set 5.1: A 64 LYS NZ :NH3+ -117:sc= 1.22 (180deg=0) USER MOD Set 5.2: B 658 GLN : amide:sc= -2! C(o=-0.78!,f=-10!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -1.06 X(o=-1.1,f=-1.1) USER MOD Single : A 28 THR OG1 : rot -120:sc= -0.0029 USER MOD Single : A 31 GLN : amide:sc= -0.415 X(o=-0.41,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.0884 K(o=-0.088,f=-1.1) USER MOD Single : A 55 HIS : no HD1:sc= -0.65 X(o=-0.65,f=-0.23) USER MOD Single : A 66 ASN : amide:sc= -0.442 K(o=-0.44,f=-1.1) USER MOD Single : A 67 THR OG1 : rot 78:sc= 0.223 USER MOD Single : A 73 GLN : amide:sc= -0.717 X(o=-0.72,f=-0.38) USER MOD Single : B 622 TYR OH : rot 180:sc= 0 USER MOD Single : B 625 THR OG1 : rot 80:sc= 0.205 USER MOD Single : B 627 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : B 628 SER OG : rot 180:sc= 0 USER MOD Single : B 642 SER OG : rot 180:sc= 0.122 USER MOD Single : B 645 GLN : amide:sc= 0.0293 X(o=0.029,f=0) USER MOD Single : B 651 THR OG1 : rot 180:sc= 0 USER MOD Single : B 656 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 660 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : B 661 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 670 TYR OH : rot 180:sc= 0 USER MOD Single : B 671 HIS : no HE2:sc= 0.502 K(o=0.5,f=-1.8!) USER MOD Single : B 673 MET CE :methyl 162:sc= -0.0977 (180deg=-0.478) USER MOD ----------------------------------------------------------------- ATOM 222 N ALA A 17 -7.065 -15.828 7.459 1.00 0.00 N ATOM 223 CA ALA A 17 -5.965 -14.975 7.889 1.00 0.00 C ATOM 224 C ALA A 17 -5.647 -13.918 6.837 1.00 0.00 C ATOM 225 O ALA A 17 -5.351 -12.768 7.166 1.00 0.00 O ATOM 226 CB ALA A 17 -4.731 -15.814 8.186 1.00 0.00 C ATOM 0 HA ALA A 17 -6.271 -14.463 8.801 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.917 -15.163 8.506 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.958 -16.528 8.978 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.432 -16.353 7.287 1.00 0.00 H new ATOM 232 N PHE A 18 -5.709 -14.313 5.569 1.00 0.00 N ATOM 233 CA PHE A 18 -5.426 -13.399 4.469 1.00 0.00 C ATOM 234 C PHE A 18 -6.613 -12.477 4.208 1.00 0.00 C ATOM 235 O PHE A 18 -6.457 -11.262 4.098 1.00 0.00 O ATOM 236 CB PHE A 18 -5.088 -14.184 3.200 1.00 0.00 C ATOM 237 CG PHE A 18 -4.462 -13.344 2.124 1.00 0.00 C ATOM 238 CD1 PHE A 18 -5.251 -12.655 1.216 1.00 0.00 C ATOM 239 CD2 PHE A 18 -3.084 -13.242 2.019 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.679 -11.881 0.225 1.00 0.00 C ATOM 241 CE2 PHE A 18 -2.506 -12.469 1.030 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.304 -11.789 0.131 1.00 0.00 C ATOM 0 H PHE A 18 -5.953 -15.260 5.278 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.568 -12.788 4.750 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.409 -14.998 3.456 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.999 -14.639 2.811 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.327 -12.724 1.284 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.455 -13.773 2.718 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.306 -11.349 -0.475 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.431 -12.397 0.960 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.854 -11.186 -0.644 1.00 0.00 H new ATOM 251 N ALA A 19 -7.801 -13.066 4.110 1.00 0.00 N ATOM 252 CA ALA A 19 -9.016 -12.298 3.864 1.00 0.00 C ATOM 253 C ALA A 19 -9.158 -11.159 4.866 1.00 0.00 C ATOM 254 O ALA A 19 -9.721 -10.109 4.552 1.00 0.00 O ATOM 255 CB ALA A 19 -10.235 -13.208 3.920 1.00 0.00 C ATOM 0 H ALA A 19 -7.948 -14.072 4.197 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.946 -11.863 2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.135 -12.622 3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.145 -13.984 3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.299 -13.670 4.905 1.00 0.00 H new ATOM 261 N ALA A 20 -8.645 -11.371 6.073 1.00 0.00 N ATOM 262 CA ALA A 20 -8.713 -10.359 7.122 1.00 0.00 C ATOM 263 C ALA A 20 -7.856 -9.148 6.773 1.00 0.00 C ATOM 264 O ALA A 20 -8.327 -8.011 6.806 1.00 0.00 O ATOM 265 CB ALA A 20 -8.276 -10.951 8.454 1.00 0.00 C ATOM 0 H ALA A 20 -8.177 -12.234 6.350 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.748 -10.026 7.206 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.331 -10.186 9.228 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.933 -11.781 8.716 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.251 -11.312 8.373 1.00 0.00 H new ATOM 271 N LYS A 21 -6.594 -9.398 6.438 1.00 0.00 N ATOM 272 CA LYS A 21 -5.671 -8.328 6.082 1.00 0.00 C ATOM 273 C LYS A 21 -6.165 -7.568 4.855 1.00 0.00 C ATOM 274 O LYS A 21 -5.998 -6.352 4.758 1.00 0.00 O ATOM 275 CB LYS A 21 -4.276 -8.898 5.814 1.00 0.00 C ATOM 276 CG LYS A 21 -3.281 -8.617 6.926 1.00 0.00 C ATOM 277 CD LYS A 21 -2.277 -9.749 7.076 1.00 0.00 C ATOM 278 CE LYS A 21 -2.302 -10.333 8.479 1.00 0.00 C ATOM 279 NZ LYS A 21 -2.149 -11.815 8.465 1.00 0.00 N ATOM 0 H LYS A 21 -6.188 -10.333 6.406 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.619 -7.634 6.921 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.354 -9.976 5.672 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.895 -8.480 4.882 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.753 -7.687 6.716 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.815 -8.476 7.866 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.499 -10.532 6.351 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.276 -9.381 6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.501 -9.891 9.071 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.241 -10.069 8.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.171 -12.176 9.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.928 -12.239 7.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.241 -12.066 8.024 1.00 0.00 H new ATOM 289 N ALA A 22 -6.774 -8.292 3.922 1.00 0.00 N ATOM 290 CA ALA A 22 -7.296 -7.686 2.704 1.00 0.00 C ATOM 291 C ALA A 22 -8.390 -6.673 3.020 1.00 0.00 C ATOM 292 O ALA A 22 -8.353 -5.537 2.550 1.00 0.00 O ATOM 293 CB ALA A 22 -7.823 -8.760 1.763 1.00 0.00 C ATOM 0 H ALA A 22 -6.918 -9.300 3.987 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.479 -7.157 2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.210 -8.292 0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.015 -9.443 1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.622 -9.314 2.255 1.00 0.00 H new ATOM 299 N GLY A 23 -9.367 -7.093 3.819 1.00 0.00 N ATOM 300 CA GLY A 23 -10.459 -6.211 4.184 1.00 0.00 C ATOM 301 C GLY A 23 -10.032 -5.129 5.156 1.00 0.00 C ATOM 302 O GLY A 23 -10.640 -4.060 5.214 1.00 0.00 O ATOM 0 H GLY A 23 -9.421 -8.029 4.220 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.863 -5.747 3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.263 -6.798 4.629 1.00 0.00 H new ATOM 306 N LEU A 24 -8.983 -5.407 5.923 1.00 0.00 N ATOM 307 CA LEU A 24 -8.475 -4.449 6.899 1.00 0.00 C ATOM 308 C LEU A 24 -7.609 -3.391 6.225 1.00 0.00 C ATOM 309 O LEU A 24 -7.590 -2.232 6.641 1.00 0.00 O ATOM 310 CB LEU A 24 -7.667 -5.173 7.979 1.00 0.00 C ATOM 311 CG LEU A 24 -7.438 -4.398 9.278 1.00 0.00 C ATOM 312 CD1 LEU A 24 -8.521 -4.727 10.293 1.00 0.00 C ATOM 313 CD2 LEU A 24 -6.061 -4.705 9.845 1.00 0.00 C ATOM 0 H LEU A 24 -8.468 -6.287 5.888 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.328 -3.952 7.362 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.176 -6.106 8.221 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.696 -5.438 7.561 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.488 -3.332 9.057 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.342 -4.167 11.211 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.495 -4.456 9.886 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.503 -5.795 10.511 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.915 -4.145 10.769 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.982 -5.772 10.051 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.298 -4.418 9.122 1.00 0.00 H new ATOM 324 N MET A 25 -6.896 -3.795 5.179 1.00 0.00 N ATOM 325 CA MET A 25 -6.031 -2.879 4.443 1.00 0.00 C ATOM 326 C MET A 25 -6.816 -1.667 3.952 1.00 0.00 C ATOM 327 O MET A 25 -6.495 -0.528 4.293 1.00 0.00 O ATOM 328 CB MET A 25 -5.383 -3.597 3.258 1.00 0.00 C ATOM 329 CG MET A 25 -4.639 -2.663 2.316 1.00 0.00 C ATOM 330 SD MET A 25 -2.936 -3.181 2.029 1.00 0.00 S ATOM 331 CE MET A 25 -2.288 -3.156 3.698 1.00 0.00 C ATOM 0 H MET A 25 -6.900 -4.750 4.822 1.00 0.00 H new ATOM 0 HA MET A 25 -5.250 -2.533 5.120 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.689 -4.349 3.634 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.154 -4.126 2.698 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.167 -2.618 1.363 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.643 -1.655 2.731 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.364 -2.579 3.721 1.00 0.00 H new ATOM 0 HE2 MET A 25 -3.018 -2.698 4.365 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.087 -4.176 4.026 1.00 0.00 H new ATOM 339 N ARG A 26 -7.844 -1.919 3.150 1.00 0.00 N ATOM 340 CA ARG A 26 -8.673 -0.847 2.610 1.00 0.00 C ATOM 341 C ARG A 26 -9.279 -0.011 3.734 1.00 0.00 C ATOM 342 O ARG A 26 -9.632 1.152 3.534 1.00 0.00 O ATOM 343 CB ARG A 26 -9.786 -1.426 1.735 1.00 0.00 C ATOM 344 CG ARG A 26 -9.541 -1.253 0.245 1.00 0.00 C ATOM 345 CD ARG A 26 -10.459 -2.142 -0.579 1.00 0.00 C ATOM 346 NE ARG A 26 -11.642 -1.423 -1.046 1.00 0.00 N ATOM 347 CZ ARG A 26 -12.707 -2.021 -1.567 1.00 0.00 C ATOM 348 NH1 ARG A 26 -12.738 -3.341 -1.687 1.00 0.00 N ATOM 349 NH2 ARG A 26 -13.745 -1.298 -1.971 1.00 0.00 N ATOM 0 H ARG A 26 -8.124 -2.856 2.859 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.039 -0.203 2.001 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.895 -2.488 1.956 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.729 -0.947 1.998 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.698 -0.211 -0.032 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.502 -1.490 0.016 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.911 -2.534 -1.436 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.768 -2.998 0.020 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.650 -0.406 -0.968 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.942 -3.900 -1.379 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.557 -3.798 -2.088 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.725 -0.282 -1.881 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.562 -1.759 -2.371 1.00 0.00 H new ATOM 360 N HIS A 27 -9.395 -0.610 4.914 1.00 0.00 N ATOM 361 CA HIS A 27 -9.959 0.080 6.070 1.00 0.00 C ATOM 362 C HIS A 27 -8.919 0.989 6.719 1.00 0.00 C ATOM 363 O HIS A 27 -9.232 2.100 7.148 1.00 0.00 O ATOM 364 CB HIS A 27 -10.477 -0.933 7.092 1.00 0.00 C ATOM 365 CG HIS A 27 -11.051 -0.301 8.323 1.00 0.00 C ATOM 366 ND1 HIS A 27 -12.071 0.627 8.285 1.00 0.00 N ATOM 367 CD2 HIS A 27 -10.744 -0.469 9.630 1.00 0.00 C ATOM 368 CE1 HIS A 27 -12.365 1.003 9.517 1.00 0.00 C ATOM 369 NE2 HIS A 27 -11.575 0.353 10.352 1.00 0.00 N ATOM 0 H HIS A 27 -9.106 -1.571 5.096 1.00 0.00 H new ATOM 0 HA HIS A 27 -10.791 0.695 5.726 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -11.240 -1.553 6.622 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.661 -1.596 7.380 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.987 -1.127 10.031 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -13.123 1.721 9.794 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.581 0.446 11.368 1.00 0.00 H new ATOM 376 N THR A 28 -7.681 0.509 6.788 1.00 0.00 N ATOM 377 CA THR A 28 -6.596 1.278 7.386 1.00 0.00 C ATOM 378 C THR A 28 -6.515 2.675 6.782 1.00 0.00 C ATOM 379 O THR A 28 -6.341 3.662 7.498 1.00 0.00 O ATOM 380 CB THR A 28 -5.241 0.571 7.204 1.00 0.00 C ATOM 381 OG1 THR A 28 -5.369 -0.822 7.508 1.00 0.00 O ATOM 382 CG2 THR A 28 -4.180 1.196 8.099 1.00 0.00 C ATOM 0 H THR A 28 -7.405 -0.408 6.437 1.00 0.00 H new ATOM 0 HA THR A 28 -6.814 1.359 8.451 1.00 0.00 H new ATOM 0 HB THR A 28 -4.932 0.688 6.165 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.768 -1.052 8.247 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.231 0.680 7.953 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.063 2.249 7.844 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.485 1.107 9.142 1.00 0.00 H new ATOM 390 N ILE A 29 -6.640 2.752 5.462 1.00 0.00 N ATOM 391 CA ILE A 29 -6.582 4.029 4.762 1.00 0.00 C ATOM 392 C ILE A 29 -7.849 4.843 4.997 1.00 0.00 C ATOM 393 O ILE A 29 -7.788 6.038 5.283 1.00 0.00 O ATOM 394 CB ILE A 29 -6.385 3.833 3.247 1.00 0.00 C ATOM 395 CG1 ILE A 29 -5.028 3.184 2.967 1.00 0.00 C ATOM 396 CG2 ILE A 29 -6.502 5.165 2.521 1.00 0.00 C ATOM 397 CD1 ILE A 29 -5.036 1.679 3.109 1.00 0.00 C ATOM 0 H ILE A 29 -6.782 1.945 4.855 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.726 4.570 5.164 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.167 3.170 2.876 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.712 3.444 1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.287 3.601 3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.360 5.010 1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.490 5.591 2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.740 5.850 2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.041 1.288 2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.321 1.411 4.126 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.752 1.251 2.407 1.00 0.00 H new ATOM 408 N GLY A 30 -8.999 4.187 4.877 1.00 0.00 N ATOM 409 CA GLY A 30 -10.265 4.864 5.081 1.00 0.00 C ATOM 410 C GLY A 30 -10.333 5.576 6.418 1.00 0.00 C ATOM 411 O GLY A 30 -10.774 6.723 6.495 1.00 0.00 O ATOM 0 H GLY A 30 -9.076 3.197 4.642 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.420 5.586 4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.076 4.138 5.018 1.00 0.00 H new ATOM 415 N GLN A 31 -9.896 4.895 7.472 1.00 0.00 N ATOM 416 CA GLN A 31 -9.912 5.469 8.812 1.00 0.00 C ATOM 417 C GLN A 31 -8.829 6.533 8.961 1.00 0.00 C ATOM 418 O GLN A 31 -9.049 7.573 9.580 1.00 0.00 O ATOM 419 CB GLN A 31 -9.715 4.374 9.862 1.00 0.00 C ATOM 420 CG GLN A 31 -11.015 3.863 10.459 1.00 0.00 C ATOM 421 CD GLN A 31 -11.398 4.590 11.733 1.00 0.00 C ATOM 422 OE1 GLN A 31 -11.432 4.000 12.812 1.00 0.00 O ATOM 423 NE2 GLN A 31 -11.690 5.881 11.614 1.00 0.00 N ATOM 0 H GLN A 31 -9.527 3.945 7.424 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.883 5.940 8.966 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.180 3.539 9.409 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.084 4.759 10.663 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.815 3.975 9.727 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.920 2.797 10.668 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.649 6.331 10.700 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.955 6.422 12.437 1.00 0.00 H new ATOM 430 N ALA A 32 -7.660 6.265 8.389 1.00 0.00 N ATOM 431 CA ALA A 32 -6.544 7.200 8.457 1.00 0.00 C ATOM 432 C ALA A 32 -6.871 8.498 7.728 1.00 0.00 C ATOM 433 O ALA A 32 -6.342 9.558 8.064 1.00 0.00 O ATOM 434 CB ALA A 32 -5.289 6.566 7.874 1.00 0.00 C ATOM 0 H ALA A 32 -7.461 5.408 7.873 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.364 7.438 9.505 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.463 7.275 7.931 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.037 5.669 8.441 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.467 6.299 6.832 1.00 0.00 H new ATOM 440 N GLU A 33 -7.743 8.408 6.730 1.00 0.00 N ATOM 441 CA GLU A 33 -8.138 9.577 5.953 1.00 0.00 C ATOM 442 C GLU A 33 -9.093 10.461 6.749 1.00 0.00 C ATOM 443 O GLU A 33 -9.070 11.686 6.626 1.00 0.00 O ATOM 444 CB GLU A 33 -8.799 9.146 4.642 1.00 0.00 C ATOM 445 CG GLU A 33 -8.419 10.015 3.454 1.00 0.00 C ATOM 446 CD GLU A 33 -8.616 9.309 2.128 1.00 0.00 C ATOM 447 OE1 GLU A 33 -9.765 9.273 1.641 1.00 0.00 O ATOM 448 OE2 GLU A 33 -7.621 8.794 1.576 1.00 0.00 O ATOM 0 H GLU A 33 -8.190 7.538 6.440 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.240 10.152 5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.524 8.113 4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.882 9.168 4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.018 10.926 3.469 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.376 10.317 3.549 1.00 0.00 H new ATOM 658 N PHE A 51 -3.523 19.963 0.417 1.00 0.00 N ATOM 659 CA PHE A 51 -4.160 18.766 0.953 1.00 0.00 C ATOM 660 C PHE A 51 -4.794 17.941 -0.163 1.00 0.00 C ATOM 661 O PHE A 51 -4.618 16.725 -0.225 1.00 0.00 O ATOM 662 CB PHE A 51 -5.222 19.147 1.987 1.00 0.00 C ATOM 663 CG PHE A 51 -5.980 17.969 2.529 1.00 0.00 C ATOM 664 CD1 PHE A 51 -7.095 17.481 1.867 1.00 0.00 C ATOM 665 CD2 PHE A 51 -5.578 17.350 3.701 1.00 0.00 C ATOM 666 CE1 PHE A 51 -7.795 16.397 2.364 1.00 0.00 C ATOM 667 CE2 PHE A 51 -6.273 16.266 4.204 1.00 0.00 C ATOM 668 CZ PHE A 51 -7.382 15.789 3.534 1.00 0.00 C ATOM 0 HA PHE A 51 -3.392 18.162 1.436 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.742 19.671 2.813 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.926 19.844 1.533 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.421 17.953 0.952 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.711 17.719 4.229 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.663 16.026 1.839 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.949 15.793 5.119 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.926 14.942 3.924 1.00 0.00 H new ATOM 677 N GLN A 52 -5.531 18.612 -1.042 1.00 0.00 N ATOM 678 CA GLN A 52 -6.193 17.940 -2.154 1.00 0.00 C ATOM 679 C GLN A 52 -5.170 17.305 -3.091 1.00 0.00 C ATOM 680 O GLN A 52 -5.305 16.144 -3.476 1.00 0.00 O ATOM 681 CB GLN A 52 -7.066 18.929 -2.928 1.00 0.00 C ATOM 682 CG GLN A 52 -7.524 18.408 -4.281 1.00 0.00 C ATOM 683 CD GLN A 52 -9.005 18.622 -4.517 1.00 0.00 C ATOM 684 OE1 GLN A 52 -9.620 19.507 -3.921 1.00 0.00 O ATOM 685 NE2 GLN A 52 -9.589 17.810 -5.391 1.00 0.00 N ATOM 0 H GLN A 52 -5.685 19.620 -1.006 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.825 17.151 -1.746 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.942 19.175 -2.327 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.510 19.855 -3.074 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.959 18.906 -5.068 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.299 17.344 -4.352 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.042 17.090 -5.863 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.585 17.907 -5.591 1.00 0.00 H new ATOM 692 N ALA A 53 -4.150 18.074 -3.455 1.00 0.00 N ATOM 693 CA ALA A 53 -3.105 17.586 -4.345 1.00 0.00 C ATOM 694 C ALA A 53 -2.587 16.226 -3.890 1.00 0.00 C ATOM 695 O ALA A 53 -2.615 15.255 -4.646 1.00 0.00 O ATOM 696 CB ALA A 53 -1.963 18.590 -4.419 1.00 0.00 C ATOM 0 H ALA A 53 -4.025 19.038 -3.147 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.535 17.468 -5.339 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.189 18.212 -5.087 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.338 19.540 -4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.543 18.737 -3.424 1.00 0.00 H new ATOM 702 N ALA A 54 -2.113 16.163 -2.650 1.00 0.00 N ATOM 703 CA ALA A 54 -1.590 14.921 -2.093 1.00 0.00 C ATOM 704 C ALA A 54 -2.712 13.922 -1.831 1.00 0.00 C ATOM 705 O ALA A 54 -2.500 12.710 -1.869 1.00 0.00 O ATOM 706 CB ALA A 54 -0.819 15.200 -0.812 1.00 0.00 C ATOM 0 H ALA A 54 -2.080 16.958 -2.012 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.911 14.482 -2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.434 14.264 -0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.013 15.871 -1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.482 15.665 -0.082 1.00 0.00 H new ATOM 712 N HIS A 55 -3.907 14.438 -1.562 1.00 0.00 N ATOM 713 CA HIS A 55 -5.063 13.591 -1.292 1.00 0.00 C ATOM 714 C HIS A 55 -5.407 12.737 -2.510 1.00 0.00 C ATOM 715 O HIS A 55 -5.513 11.515 -2.413 1.00 0.00 O ATOM 716 CB HIS A 55 -6.268 14.446 -0.898 1.00 0.00 C ATOM 717 CG HIS A 55 -7.569 13.707 -0.952 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.765 14.311 -1.281 1.00 0.00 N ATOM 719 CD2 HIS A 55 -7.859 12.406 -0.717 1.00 0.00 C ATOM 720 CE1 HIS A 55 -9.733 13.413 -1.245 1.00 0.00 C ATOM 721 NE2 HIS A 55 -9.211 12.249 -0.905 1.00 0.00 N ATOM 0 H HIS A 55 -4.100 15.439 -1.525 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.811 12.928 -0.464 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.118 14.828 0.112 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.322 15.310 -1.560 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.158 11.635 -0.434 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.775 13.599 -1.458 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.727 11.376 -0.799 1.00 0.00 H new ATOM 728 N ALA A 56 -5.581 13.391 -3.654 1.00 0.00 N ATOM 729 CA ALA A 56 -5.912 12.692 -4.890 1.00 0.00 C ATOM 730 C ALA A 56 -4.813 11.706 -5.274 1.00 0.00 C ATOM 731 O ALA A 56 -5.082 10.669 -5.880 1.00 0.00 O ATOM 732 CB ALA A 56 -6.145 13.690 -6.014 1.00 0.00 C ATOM 0 H ALA A 56 -5.498 14.403 -3.751 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.829 12.127 -4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.391 13.154 -6.931 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.969 14.352 -5.748 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.242 14.280 -6.170 1.00 0.00 H new ATOM 738 N ARG A 57 -3.577 12.037 -4.917 1.00 0.00 N ATOM 739 CA ARG A 57 -2.438 11.181 -5.225 1.00 0.00 C ATOM 740 C ARG A 57 -2.496 9.886 -4.421 1.00 0.00 C ATOM 741 O ARG A 57 -2.125 8.820 -4.913 1.00 0.00 O ATOM 742 CB ARG A 57 -1.127 11.915 -4.936 1.00 0.00 C ATOM 743 CG ARG A 57 -0.663 12.805 -6.077 1.00 0.00 C ATOM 744 CD ARG A 57 0.693 13.428 -5.782 1.00 0.00 C ATOM 745 NE ARG A 57 1.427 13.745 -7.004 1.00 0.00 N ATOM 746 CZ ARG A 57 2.082 12.841 -7.724 1.00 0.00 C ATOM 747 NH1 ARG A 57 2.093 11.570 -7.346 1.00 0.00 N ATOM 748 NH2 ARG A 57 2.727 13.207 -8.824 1.00 0.00 N ATOM 0 H ARG A 57 -3.339 12.892 -4.414 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.481 10.932 -6.285 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.251 12.523 -4.040 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.350 11.182 -4.719 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.604 12.220 -6.995 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.397 13.593 -6.247 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.555 14.337 -5.196 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.282 12.743 -5.173 1.00 0.00 H new ATOM 0 HE ARG A 57 1.437 14.714 -7.322 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.598 11.285 -6.501 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.597 10.877 -7.900 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.720 14.184 -9.118 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.229 12.512 -9.376 1.00 0.00 H new ATOM 759 N PHE A 58 -2.964 9.987 -3.181 1.00 0.00 N ATOM 760 CA PHE A 58 -3.069 8.824 -2.307 1.00 0.00 C ATOM 761 C PHE A 58 -4.186 7.894 -2.772 1.00 0.00 C ATOM 762 O PHE A 58 -3.967 6.702 -2.987 1.00 0.00 O ATOM 763 CB PHE A 58 -3.325 9.266 -0.864 1.00 0.00 C ATOM 764 CG PHE A 58 -3.077 8.182 0.146 1.00 0.00 C ATOM 765 CD1 PHE A 58 -3.888 7.059 0.190 1.00 0.00 C ATOM 766 CD2 PHE A 58 -2.035 8.288 1.052 1.00 0.00 C ATOM 767 CE1 PHE A 58 -3.662 6.062 1.120 1.00 0.00 C ATOM 768 CE2 PHE A 58 -1.803 7.293 1.984 1.00 0.00 C ATOM 769 CZ PHE A 58 -2.618 6.179 2.017 1.00 0.00 C ATOM 0 H PHE A 58 -3.276 10.862 -2.759 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.125 8.280 -2.351 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.686 10.119 -0.635 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.356 9.607 -0.774 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.705 6.962 -0.510 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.396 9.158 1.030 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.301 5.192 1.145 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.986 7.387 2.684 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.439 5.400 2.743 1.00 0.00 H new ATOM 778 N VAL A 59 -5.384 8.448 -2.925 1.00 0.00 N ATOM 779 CA VAL A 59 -6.536 7.670 -3.364 1.00 0.00 C ATOM 780 C VAL A 59 -6.233 6.923 -4.658 1.00 0.00 C ATOM 781 O VAL A 59 -6.681 5.793 -4.854 1.00 0.00 O ATOM 782 CB VAL A 59 -7.770 8.566 -3.579 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.442 9.709 -4.527 1.00 0.00 C ATOM 784 CG2 VAL A 59 -8.939 7.746 -4.105 1.00 0.00 C ATOM 0 H VAL A 59 -5.582 9.433 -2.751 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.752 6.951 -2.574 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.058 8.993 -2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.326 10.331 -4.667 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.637 10.312 -4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.127 9.305 -5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.802 8.395 -4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.664 7.288 -5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.189 6.966 -3.386 1.00 0.00 H new ATOM 794 N ALA A 60 -5.470 7.561 -5.539 1.00 0.00 N ATOM 795 CA ALA A 60 -5.104 6.955 -6.813 1.00 0.00 C ATOM 796 C ALA A 60 -4.248 5.710 -6.604 1.00 0.00 C ATOM 797 O ALA A 60 -4.288 4.777 -7.405 1.00 0.00 O ATOM 798 CB ALA A 60 -4.369 7.963 -7.685 1.00 0.00 C ATOM 0 H ALA A 60 -5.093 8.498 -5.394 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.021 6.652 -7.319 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.102 7.497 -8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.014 8.821 -7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.464 8.293 -7.175 1.00 0.00 H new ATOM 804 N ALA A 61 -3.475 5.704 -5.524 1.00 0.00 N ATOM 805 CA ALA A 61 -2.610 4.573 -5.210 1.00 0.00 C ATOM 806 C ALA A 61 -3.404 3.438 -4.572 1.00 0.00 C ATOM 807 O ALA A 61 -3.231 2.271 -4.927 1.00 0.00 O ATOM 808 CB ALA A 61 -1.480 5.012 -4.290 1.00 0.00 C ATOM 0 H ALA A 61 -3.430 6.469 -4.851 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.181 4.204 -6.142 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.842 4.158 -4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.890 5.785 -4.782 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.898 5.408 -3.364 1.00 0.00 H new ATOM 814 N ALA A 62 -4.271 3.786 -3.627 1.00 0.00 N ATOM 815 CA ALA A 62 -5.092 2.795 -2.942 1.00 0.00 C ATOM 816 C ALA A 62 -5.822 1.901 -3.938 1.00 0.00 C ATOM 817 O ALA A 62 -6.074 0.728 -3.666 1.00 0.00 O ATOM 818 CB ALA A 62 -6.086 3.481 -2.017 1.00 0.00 C ATOM 0 H ALA A 62 -4.423 4.746 -3.318 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.433 2.165 -2.345 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.692 2.729 -1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.546 4.070 -1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.733 4.137 -2.600 1.00 0.00 H new ATOM 824 N ALA A 63 -6.160 2.464 -5.093 1.00 0.00 N ATOM 825 CA ALA A 63 -6.862 1.718 -6.130 1.00 0.00 C ATOM 826 C ALA A 63 -6.068 0.486 -6.551 1.00 0.00 C ATOM 827 O ALA A 63 -6.630 -0.592 -6.743 1.00 0.00 O ATOM 828 CB ALA A 63 -7.131 2.611 -7.332 1.00 0.00 C ATOM 0 H ALA A 63 -5.959 3.434 -5.334 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.815 1.382 -5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.656 2.041 -8.099 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.745 3.458 -7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.185 2.975 -7.734 1.00 0.00 H new ATOM 834 N LYS A 64 -4.758 0.653 -6.695 1.00 0.00 N ATOM 835 CA LYS A 64 -3.885 -0.446 -7.092 1.00 0.00 C ATOM 836 C LYS A 64 -3.955 -1.588 -6.084 1.00 0.00 C ATOM 837 O LYS A 64 -4.189 -2.740 -6.451 1.00 0.00 O ATOM 838 CB LYS A 64 -2.442 0.045 -7.225 1.00 0.00 C ATOM 839 CG LYS A 64 -1.423 -1.079 -7.313 1.00 0.00 C ATOM 840 CD LYS A 64 -1.814 -2.105 -8.363 1.00 0.00 C ATOM 841 CE LYS A 64 -0.640 -2.454 -9.266 1.00 0.00 C ATOM 842 NZ LYS A 64 -1.064 -3.268 -10.438 1.00 0.00 N ATOM 0 H LYS A 64 -4.277 1.539 -6.543 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.226 -0.818 -8.058 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.360 0.669 -8.115 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.201 0.676 -6.370 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.444 -0.665 -7.554 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.333 -1.567 -6.342 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.178 -3.008 -7.873 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.635 -1.716 -8.966 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.164 -1.537 -9.614 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.107 -3.003 -8.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.606 -4.201 -10.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.097 -3.388 -10.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.785 -2.785 -11.316 1.00 0.00 H new ATOM 852 N VAL A 65 -3.750 -1.262 -4.812 1.00 0.00 N ATOM 853 CA VAL A 65 -3.791 -2.261 -3.750 1.00 0.00 C ATOM 854 C VAL A 65 -5.106 -3.032 -3.773 1.00 0.00 C ATOM 855 O VAL A 65 -5.115 -4.262 -3.796 1.00 0.00 O ATOM 856 CB VAL A 65 -3.612 -1.613 -2.364 1.00 0.00 C ATOM 857 CG1 VAL A 65 -3.432 -2.682 -1.295 1.00 0.00 C ATOM 858 CG2 VAL A 65 -2.433 -0.653 -2.373 1.00 0.00 C ATOM 0 H VAL A 65 -3.554 -0.314 -4.491 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.966 -2.950 -3.930 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.512 -1.044 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.307 -2.206 -0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.311 -3.327 -1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.549 -3.279 -1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.321 -0.204 -1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.523 -1.196 -2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.608 0.131 -3.110 1.00 0.00 H new ATOM 868 N ASN A 66 -6.215 -2.301 -3.767 1.00 0.00 N ATOM 869 CA ASN A 66 -7.537 -2.916 -3.788 1.00 0.00 C ATOM 870 C ASN A 66 -7.656 -3.913 -4.936 1.00 0.00 C ATOM 871 O ASN A 66 -8.383 -4.903 -4.843 1.00 0.00 O ATOM 872 CB ASN A 66 -8.621 -1.843 -3.915 1.00 0.00 C ATOM 873 CG ASN A 66 -9.846 -2.344 -4.655 1.00 0.00 C ATOM 874 OD1 ASN A 66 -10.798 -2.832 -4.044 1.00 0.00 O ATOM 875 ND2 ASN A 66 -9.828 -2.227 -5.978 1.00 0.00 N ATOM 0 H ASN A 66 -6.225 -1.281 -3.748 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.675 -3.452 -2.849 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.913 -1.506 -2.920 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.213 -0.978 -4.438 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.624 -2.548 -6.529 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.018 -1.816 -6.443 1.00 0.00 H new ATOM 881 N THR A 67 -6.935 -3.646 -6.021 1.00 0.00 N ATOM 882 CA THR A 67 -6.958 -4.518 -7.189 1.00 0.00 C ATOM 883 C THR A 67 -6.065 -5.737 -6.983 1.00 0.00 C ATOM 884 O THR A 67 -6.301 -6.797 -7.563 1.00 0.00 O ATOM 885 CB THR A 67 -6.505 -3.772 -8.457 1.00 0.00 C ATOM 886 OG1 THR A 67 -7.458 -2.759 -8.796 1.00 0.00 O ATOM 887 CG2 THR A 67 -6.345 -4.735 -9.624 1.00 0.00 C ATOM 0 H THR A 67 -6.328 -2.832 -6.115 1.00 0.00 H new ATOM 0 HA THR A 67 -7.990 -4.845 -7.319 1.00 0.00 H new ATOM 0 HB THR A 67 -5.539 -3.309 -8.254 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.337 -1.986 -8.206 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.024 -4.185 -10.509 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.598 -5.488 -9.374 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.298 -5.223 -9.826 1.00 0.00 H new ATOM 895 N LEU A 68 -5.040 -5.580 -6.153 1.00 0.00 N ATOM 896 CA LEU A 68 -4.111 -6.667 -5.870 1.00 0.00 C ATOM 897 C LEU A 68 -4.745 -7.698 -4.942 1.00 0.00 C ATOM 898 O LEU A 68 -4.573 -8.904 -5.123 1.00 0.00 O ATOM 899 CB LEU A 68 -2.828 -6.120 -5.242 1.00 0.00 C ATOM 900 CG LEU A 68 -1.969 -5.228 -6.139 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.929 -4.484 -5.315 1.00 0.00 C ATOM 902 CD2 LEU A 68 -1.298 -6.054 -7.227 1.00 0.00 C ATOM 0 H LEU A 68 -4.831 -4.709 -5.664 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.866 -7.156 -6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.097 -5.553 -4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.220 -6.963 -4.913 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.618 -4.493 -6.616 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.327 -3.855 -5.971 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.430 -3.861 -4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.284 -5.202 -4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.691 -5.403 -7.856 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.662 -6.812 -6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.060 -6.540 -7.837 1.00 0.00 H new ATOM 913 N LEU A 69 -5.482 -7.215 -3.947 1.00 0.00 N ATOM 914 CA LEU A 69 -6.145 -8.093 -2.990 1.00 0.00 C ATOM 915 C LEU A 69 -7.037 -9.105 -3.705 1.00 0.00 C ATOM 916 O LEU A 69 -6.949 -10.308 -3.460 1.00 0.00 O ATOM 917 CB LEU A 69 -6.977 -7.272 -2.003 1.00 0.00 C ATOM 918 CG LEU A 69 -6.216 -6.677 -0.818 1.00 0.00 C ATOM 919 CD1 LEU A 69 -5.331 -7.729 -0.168 1.00 0.00 C ATOM 920 CD2 LEU A 69 -5.387 -5.480 -1.262 1.00 0.00 C ATOM 0 H LEU A 69 -5.635 -6.220 -3.783 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.375 -8.637 -2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.453 -6.458 -2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.775 -7.906 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.942 -6.337 -0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.798 -7.286 0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.948 -8.554 0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.612 -8.101 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.852 -5.070 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.670 -5.795 -2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.044 -4.717 -1.679 1.00 0.00 H new ATOM 931 N ASP A 70 -7.892 -8.607 -4.591 1.00 0.00 N ATOM 932 CA ASP A 70 -8.797 -9.466 -5.345 1.00 0.00 C ATOM 933 C ASP A 70 -8.018 -10.488 -6.167 1.00 0.00 C ATOM 934 O ASP A 70 -8.482 -11.608 -6.386 1.00 0.00 O ATOM 935 CB ASP A 70 -9.685 -8.625 -6.264 1.00 0.00 C ATOM 936 CG ASP A 70 -11.115 -9.130 -6.308 1.00 0.00 C ATOM 937 OD1 ASP A 70 -11.608 -9.605 -5.264 1.00 0.00 O ATOM 938 OD2 ASP A 70 -11.739 -9.049 -7.387 1.00 0.00 O ATOM 0 H ASP A 70 -7.977 -7.613 -4.805 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.426 -10.002 -4.634 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.679 -7.590 -5.923 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.269 -8.631 -7.272 1.00 0.00 H new ATOM 942 N VAL A 71 -6.831 -10.096 -6.621 1.00 0.00 N ATOM 943 CA VAL A 71 -5.988 -10.978 -7.418 1.00 0.00 C ATOM 944 C VAL A 71 -5.311 -12.027 -6.545 1.00 0.00 C ATOM 945 O VAL A 71 -5.153 -13.179 -6.950 1.00 0.00 O ATOM 946 CB VAL A 71 -4.909 -10.185 -8.179 1.00 0.00 C ATOM 947 CG1 VAL A 71 -4.018 -11.125 -8.976 1.00 0.00 C ATOM 948 CG2 VAL A 71 -5.551 -9.149 -9.088 1.00 0.00 C ATOM 0 H VAL A 71 -6.432 -9.173 -6.450 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.639 -11.474 -8.138 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.287 -9.662 -7.452 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.262 -10.547 -9.507 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.530 -11.825 -8.298 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.623 -11.678 -9.695 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.774 -8.598 -9.618 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.198 -9.649 -9.809 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.143 -8.456 -8.489 1.00 0.00 H new ATOM 958 N ALA A 72 -4.911 -11.622 -5.344 1.00 0.00 N ATOM 959 CA ALA A 72 -4.253 -12.528 -4.411 1.00 0.00 C ATOM 960 C ALA A 72 -5.166 -13.692 -4.039 1.00 0.00 C ATOM 961 O ALA A 72 -4.763 -14.853 -4.105 1.00 0.00 O ATOM 962 CB ALA A 72 -3.817 -11.776 -3.162 1.00 0.00 C ATOM 0 H ALA A 72 -5.031 -10.671 -4.994 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.370 -12.936 -4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.327 -12.466 -2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.121 -10.984 -3.439 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.690 -11.339 -2.677 1.00 0.00 H new ATOM 968 N GLN A 73 -6.395 -13.371 -3.647 1.00 0.00 N ATOM 969 CA GLN A 73 -7.363 -14.391 -3.263 1.00 0.00 C ATOM 970 C GLN A 73 -7.844 -15.171 -4.482 1.00 0.00 C ATOM 971 O GLN A 73 -8.123 -16.367 -4.395 1.00 0.00 O ATOM 972 CB GLN A 73 -8.556 -13.750 -2.551 1.00 0.00 C ATOM 973 CG GLN A 73 -8.157 -12.769 -1.461 1.00 0.00 C ATOM 974 CD GLN A 73 -9.343 -12.017 -0.890 1.00 0.00 C ATOM 975 OE1 GLN A 73 -10.212 -11.553 -1.629 1.00 0.00 O ATOM 976 NE2 GLN A 73 -9.385 -11.893 0.431 1.00 0.00 N ATOM 0 H GLN A 73 -6.743 -12.414 -3.587 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.871 -15.084 -2.581 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.172 -13.233 -3.286 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.173 -14.535 -2.114 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.653 -13.308 -0.659 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.439 -12.055 -1.865 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.643 -12.294 1.005 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.159 -11.397 0.872 1.00 0.00 H new ATOM 983 N ALA A 74 -7.939 -14.487 -5.617 1.00 0.00 N ATOM 984 CA ALA A 74 -8.385 -15.118 -6.854 1.00 0.00 C ATOM 985 C ALA A 74 -7.357 -16.125 -7.358 1.00 0.00 C ATOM 986 O ALA A 74 -7.708 -17.225 -7.783 1.00 0.00 O ATOM 987 CB ALA A 74 -8.656 -14.062 -7.916 1.00 0.00 C ATOM 0 H ALA A 74 -7.713 -13.496 -5.706 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.310 -15.656 -6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.988 -14.546 -8.834 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.431 -13.382 -7.563 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.743 -13.500 -8.112 1.00 0.00 H new ATOM 993 N ASN A 75 -6.085 -15.741 -7.308 1.00 0.00 N ATOM 994 CA ASN A 75 -5.006 -16.612 -7.761 1.00 0.00 C ATOM 995 C ASN A 75 -4.749 -17.729 -6.755 1.00 0.00 C ATOM 996 O ASN A 75 -4.473 -18.869 -7.133 1.00 0.00 O ATOM 997 CB ASN A 75 -3.726 -15.801 -7.978 1.00 0.00 C ATOM 998 CG ASN A 75 -3.643 -15.213 -9.372 1.00 0.00 C ATOM 999 OD1 ASN A 75 -2.696 -15.473 -10.114 1.00 0.00 O ATOM 1000 ND2 ASN A 75 -4.638 -14.412 -9.737 1.00 0.00 N ATOM 0 H ASN A 75 -5.777 -14.834 -6.959 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.309 -17.062 -8.706 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.680 -14.996 -7.244 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.860 -16.440 -7.804 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.636 -13.986 -10.664 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.404 -14.223 -9.090 1.00 0.00 H new ATOM 1006 N LEU A 76 -4.843 -17.395 -5.472 1.00 0.00 N ATOM 1007 CA LEU A 76 -4.622 -18.372 -4.411 1.00 0.00 C ATOM 1008 C LEU A 76 -5.809 -19.321 -4.288 1.00 0.00 C ATOM 1009 O LEU A 76 -5.667 -20.454 -3.831 1.00 0.00 O ATOM 1010 CB LEU A 76 -4.384 -17.658 -3.078 1.00 0.00 C ATOM 1011 CG LEU A 76 -3.032 -16.963 -2.922 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -2.923 -16.308 -1.553 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -1.895 -17.954 -3.132 1.00 0.00 C ATOM 0 H LEU A 76 -5.070 -16.457 -5.142 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.739 -18.958 -4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.170 -16.915 -2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.490 -18.387 -2.274 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.955 -16.185 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.954 -15.818 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.716 -15.569 -1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.021 -17.068 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.940 -17.442 -3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.969 -18.754 -2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.962 -18.377 -4.134 1.00 0.00 H new ATOM 1024 N GLY A 77 -6.983 -18.850 -4.700 1.00 0.00 N ATOM 1025 CA GLY A 77 -8.177 -19.671 -4.630 1.00 0.00 C ATOM 1026 C GLY A 77 -8.710 -19.799 -3.217 1.00 0.00 C ATOM 1027 O GLY A 77 -9.742 -19.219 -2.881 1.00 0.00 O ATOM 0 H GLY A 77 -7.128 -17.915 -5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.948 -19.240 -5.268 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.956 -20.663 -5.023 1.00 0.00 H new ATOM 1031 N GLU A 78 -8.006 -20.564 -2.388 1.00 0.00 N ATOM 1032 CA GLU A 78 -8.415 -20.769 -1.004 1.00 0.00 C ATOM 1033 C GLU A 78 -8.660 -19.434 -0.306 1.00 0.00 C ATOM 1034 O GLU A 78 -9.663 -19.256 0.384 1.00 0.00 O ATOM 1035 CB GLU A 78 -7.352 -21.565 -0.246 1.00 0.00 C ATOM 1036 CG GLU A 78 -7.926 -22.668 0.629 1.00 0.00 C ATOM 1037 CD GLU A 78 -7.392 -24.040 0.265 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -6.200 -24.300 0.527 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -8.168 -24.852 -0.280 1.00 0.00 O ATOM 0 H GLU A 78 -7.150 -21.052 -2.651 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.347 -21.335 -1.008 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.659 -22.005 -0.963 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.774 -20.882 0.377 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.693 -22.457 1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.012 -22.670 0.539 1.00 0.00 H new ATOM 1044 N ALA A 79 -7.734 -18.498 -0.490 1.00 0.00 N ATOM 1045 CA ALA A 79 -7.848 -17.179 0.120 1.00 0.00 C ATOM 1046 C ALA A 79 -9.171 -16.517 -0.248 1.00 0.00 C ATOM 1047 O ALA A 79 -9.678 -15.670 0.487 1.00 0.00 O ATOM 1048 CB ALA A 79 -6.680 -16.299 -0.301 1.00 0.00 C ATOM 0 H ALA A 79 -6.896 -18.629 -1.057 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.822 -17.303 1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.779 -15.317 0.162 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.745 -16.759 0.018 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.679 -16.190 -1.386 1.00 0.00 H new ATOM 1533 N ALA B 620 2.259 12.121 10.439 1.00 0.00 N ATOM 1534 CA ALA B 620 3.054 11.344 9.496 1.00 0.00 C ATOM 1535 C ALA B 620 3.226 9.907 9.977 1.00 0.00 C ATOM 1536 O ALA B 620 3.334 8.982 9.173 1.00 0.00 O ATOM 1537 CB ALA B 620 4.412 11.998 9.285 1.00 0.00 C ATOM 0 HA ALA B 620 2.523 11.320 8.544 1.00 0.00 H new ATOM 0 HB1 ALA B 620 4.995 11.407 8.579 1.00 0.00 H new ATOM 0 HB2 ALA B 620 4.274 13.004 8.889 1.00 0.00 H new ATOM 0 HB3 ALA B 620 4.941 12.052 10.236 1.00 0.00 H new ATOM 1543 N GLY B 621 3.251 9.727 11.293 1.00 0.00 N ATOM 1544 CA GLY B 621 3.411 8.400 11.858 1.00 0.00 C ATOM 1545 C GLY B 621 2.354 7.431 11.370 1.00 0.00 C ATOM 1546 O GLY B 621 2.611 6.234 11.240 1.00 0.00 O ATOM 0 H GLY B 621 3.163 10.477 11.979 1.00 0.00 H new ATOM 0 HA2 GLY B 621 4.398 8.016 11.601 1.00 0.00 H new ATOM 0 HA3 GLY B 621 3.367 8.464 12.945 1.00 0.00 H new ATOM 1550 N TYR B 622 1.160 7.947 11.100 1.00 0.00 N ATOM 1551 CA TYR B 622 0.058 7.118 10.627 1.00 0.00 C ATOM 1552 C TYR B 622 0.417 6.433 9.312 1.00 0.00 C ATOM 1553 O TYR B 622 0.153 5.245 9.126 1.00 0.00 O ATOM 1554 CB TYR B 622 -1.204 7.964 10.446 1.00 0.00 C ATOM 1555 CG TYR B 622 -2.459 7.299 10.964 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -2.761 5.985 10.630 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -3.342 7.985 11.789 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -3.907 5.374 11.100 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -4.490 7.381 12.266 1.00 0.00 C ATOM 1560 CZ TYR B 622 -4.768 6.075 11.917 1.00 0.00 C ATOM 1561 OH TYR B 622 -5.910 5.470 12.389 1.00 0.00 O ATOM 0 H TYR B 622 0.931 8.936 11.201 1.00 0.00 H new ATOM 0 HA TYR B 622 -0.132 6.350 11.376 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -1.069 8.916 10.959 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -1.332 8.188 9.387 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -2.088 5.432 9.992 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -3.128 9.008 12.062 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -4.127 4.352 10.829 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -5.165 7.928 12.908 1.00 0.00 H new ATOM 0 HH TYR B 622 -6.406 6.101 12.952 1.00 0.00 H new ATOM 1570 N ALA B 623 1.021 7.190 8.403 1.00 0.00 N ATOM 1571 CA ALA B 623 1.420 6.657 7.107 1.00 0.00 C ATOM 1572 C ALA B 623 2.249 5.387 7.267 1.00 0.00 C ATOM 1573 O ALA B 623 1.998 4.382 6.603 1.00 0.00 O ATOM 1574 CB ALA B 623 2.199 7.703 6.322 1.00 0.00 C ATOM 0 H ALA B 623 1.245 8.176 8.540 1.00 0.00 H new ATOM 0 HA ALA B 623 0.516 6.402 6.553 1.00 0.00 H new ATOM 0 HB1 ALA B 623 2.490 7.291 5.356 1.00 0.00 H new ATOM 0 HB2 ALA B 623 1.574 8.582 6.167 1.00 0.00 H new ATOM 0 HB3 ALA B 623 3.092 7.986 6.880 1.00 0.00 H new ATOM 1580 N GLY B 624 3.239 5.440 8.152 1.00 0.00 N ATOM 1581 CA GLY B 624 4.090 4.287 8.383 1.00 0.00 C ATOM 1582 C GLY B 624 3.298 3.032 8.686 1.00 0.00 C ATOM 1583 O GLY B 624 3.754 1.919 8.420 1.00 0.00 O ATOM 0 H GLY B 624 3.467 6.261 8.713 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.712 4.117 7.504 1.00 0.00 H new ATOM 0 HA3 GLY B 624 4.763 4.497 9.214 1.00 0.00 H new ATOM 1587 N THR B 625 2.105 3.208 9.247 1.00 0.00 N ATOM 1588 CA THR B 625 1.247 2.081 9.590 1.00 0.00 C ATOM 1589 C THR B 625 0.884 1.270 8.352 1.00 0.00 C ATOM 1590 O THR B 625 0.789 0.043 8.406 1.00 0.00 O ATOM 1591 CB THR B 625 -0.047 2.549 10.281 1.00 0.00 C ATOM 1592 OG1 THR B 625 0.268 3.414 11.378 1.00 0.00 O ATOM 1593 CG2 THR B 625 -0.854 1.361 10.781 1.00 0.00 C ATOM 0 H THR B 625 1.711 4.121 9.473 1.00 0.00 H new ATOM 0 HA THR B 625 1.811 1.453 10.280 1.00 0.00 H new ATOM 0 HB THR B 625 -0.646 3.093 9.551 1.00 0.00 H new ATOM 0 HG1 THR B 625 0.460 4.314 11.040 1.00 0.00 H new ATOM 0 HG21 THR B 625 -1.763 1.717 11.265 1.00 0.00 H new ATOM 0 HG22 THR B 625 -1.118 0.720 9.940 1.00 0.00 H new ATOM 0 HG23 THR B 625 -0.260 0.793 11.497 1.00 0.00 H new ATOM 1601 N LEU B 626 0.683 1.961 7.236 1.00 0.00 N ATOM 1602 CA LEU B 626 0.331 1.304 5.982 1.00 0.00 C ATOM 1603 C LEU B 626 1.473 0.422 5.489 1.00 0.00 C ATOM 1604 O LEU B 626 1.258 -0.723 5.092 1.00 0.00 O ATOM 1605 CB LEU B 626 -0.020 2.346 4.918 1.00 0.00 C ATOM 1606 CG LEU B 626 -1.396 3.002 5.048 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -2.490 1.944 5.082 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -1.456 3.873 6.293 1.00 0.00 C ATOM 0 H LEU B 626 0.758 2.976 7.173 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.538 0.672 6.164 1.00 0.00 H new ATOM 0 HB2 LEU B 626 0.737 3.129 4.942 1.00 0.00 H new ATOM 0 HB3 LEU B 626 0.043 1.871 3.939 1.00 0.00 H new ATOM 0 HG LEU B 626 -1.559 3.637 4.177 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -3.462 2.429 5.175 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -2.461 1.361 4.161 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -2.331 1.284 5.934 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -2.442 4.331 6.369 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -1.272 3.260 7.175 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -0.697 4.653 6.228 1.00 0.00 H new ATOM 1619 N GLN B 627 2.687 0.964 5.519 1.00 0.00 N ATOM 1620 CA GLN B 627 3.863 0.225 5.077 1.00 0.00 C ATOM 1621 C GLN B 627 3.954 -1.126 5.780 1.00 0.00 C ATOM 1622 O GLN B 627 4.294 -2.136 5.164 1.00 0.00 O ATOM 1623 CB GLN B 627 5.131 1.037 5.342 1.00 0.00 C ATOM 1624 CG GLN B 627 6.254 0.753 4.357 1.00 0.00 C ATOM 1625 CD GLN B 627 7.483 1.602 4.612 1.00 0.00 C ATOM 1626 OE1 GLN B 627 7.892 2.395 3.762 1.00 0.00 O ATOM 1627 NE2 GLN B 627 8.081 1.442 5.787 1.00 0.00 N ATOM 0 H GLN B 627 2.881 1.911 5.844 1.00 0.00 H new ATOM 0 HA GLN B 627 3.769 0.050 4.005 1.00 0.00 H new ATOM 0 HB2 GLN B 627 4.887 2.099 5.305 1.00 0.00 H new ATOM 0 HB3 GLN B 627 5.483 0.826 6.352 1.00 0.00 H new ATOM 0 HG2 GLN B 627 6.526 -0.301 4.417 1.00 0.00 H new ATOM 0 HG3 GLN B 627 5.897 0.933 3.343 1.00 0.00 H new ATOM 0 HE21 GLN B 627 7.709 0.774 6.462 1.00 0.00 H new ATOM 0 HE22 GLN B 627 8.913 1.987 6.014 1.00 0.00 H new ATOM 1634 N SER B 628 3.649 -1.135 7.074 1.00 0.00 N ATOM 1635 CA SER B 628 3.701 -2.361 7.862 1.00 0.00 C ATOM 1636 C SER B 628 2.496 -3.249 7.565 1.00 0.00 C ATOM 1637 O SER B 628 2.590 -4.476 7.603 1.00 0.00 O ATOM 1638 CB SER B 628 3.750 -2.031 9.354 1.00 0.00 C ATOM 1639 OG SER B 628 4.759 -2.779 10.010 1.00 0.00 O ATOM 0 H SER B 628 3.364 -0.308 7.598 1.00 0.00 H new ATOM 0 HA SER B 628 4.606 -2.903 7.587 1.00 0.00 H new ATOM 0 HB2 SER B 628 3.938 -0.966 9.488 1.00 0.00 H new ATOM 0 HB3 SER B 628 2.782 -2.243 9.808 1.00 0.00 H new ATOM 0 HG SER B 628 4.770 -2.548 10.962 1.00 0.00 H new ATOM 1644 N LEU B 629 1.364 -2.620 7.271 1.00 0.00 N ATOM 1645 CA LEU B 629 0.139 -3.351 6.968 1.00 0.00 C ATOM 1646 C LEU B 629 0.260 -4.087 5.637 1.00 0.00 C ATOM 1647 O LEU B 629 -0.128 -5.249 5.522 1.00 0.00 O ATOM 1648 CB LEU B 629 -1.054 -2.394 6.927 1.00 0.00 C ATOM 1649 CG LEU B 629 -2.357 -2.918 7.530 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -2.706 -4.279 6.946 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -2.249 -2.999 9.046 1.00 0.00 C ATOM 0 H LEU B 629 1.269 -1.605 7.236 1.00 0.00 H new ATOM 0 HA LEU B 629 -0.020 -4.086 7.757 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -0.778 -1.479 7.450 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -1.241 -2.123 5.888 1.00 0.00 H new ATOM 0 HG LEU B 629 -3.157 -2.221 7.279 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -3.637 -4.636 7.387 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -2.826 -4.192 5.866 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -1.906 -4.985 7.166 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -3.186 -3.374 9.458 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -1.437 -3.674 9.317 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -2.046 -2.007 9.450 1.00 0.00 H new ATOM 1662 N GLY B 630 0.802 -3.402 4.635 1.00 0.00 N ATOM 1663 CA GLY B 630 0.965 -4.008 3.326 1.00 0.00 C ATOM 1664 C GLY B 630 1.976 -5.138 3.333 1.00 0.00 C ATOM 1665 O GLY B 630 1.737 -6.197 2.751 1.00 0.00 O ATOM 0 H GLY B 630 1.131 -2.439 4.706 1.00 0.00 H new ATOM 0 HA2 GLY B 630 0.003 -4.387 2.982 1.00 0.00 H new ATOM 0 HA3 GLY B 630 1.281 -3.246 2.613 1.00 0.00 H new ATOM 1669 N ALA B 631 3.109 -4.913 3.990 1.00 0.00 N ATOM 1670 CA ALA B 631 4.158 -5.922 4.070 1.00 0.00 C ATOM 1671 C ALA B 631 3.609 -7.246 4.589 1.00 0.00 C ATOM 1672 O ALA B 631 4.088 -8.316 4.215 1.00 0.00 O ATOM 1673 CB ALA B 631 5.292 -5.433 4.960 1.00 0.00 C ATOM 0 H ALA B 631 3.324 -4.041 4.474 1.00 0.00 H new ATOM 0 HA ALA B 631 4.545 -6.089 3.065 1.00 0.00 H new ATOM 0 HB1 ALA B 631 6.069 -6.196 5.011 1.00 0.00 H new ATOM 0 HB2 ALA B 631 5.711 -4.516 4.545 1.00 0.00 H new ATOM 0 HB3 ALA B 631 4.910 -5.237 5.962 1.00 0.00 H new ATOM 1679 N GLU B 632 2.602 -7.166 5.453 1.00 0.00 N ATOM 1680 CA GLU B 632 1.989 -8.360 6.023 1.00 0.00 C ATOM 1681 C GLU B 632 1.342 -9.213 4.935 1.00 0.00 C ATOM 1682 O GLU B 632 1.451 -10.439 4.947 1.00 0.00 O ATOM 1683 CB GLU B 632 0.944 -7.973 7.072 1.00 0.00 C ATOM 1684 CG GLU B 632 1.497 -7.108 8.192 1.00 0.00 C ATOM 1685 CD GLU B 632 1.245 -7.700 9.565 1.00 0.00 C ATOM 1686 OE1 GLU B 632 1.883 -8.721 9.897 1.00 0.00 O ATOM 1687 OE2 GLU B 632 0.410 -7.142 10.307 1.00 0.00 O ATOM 0 H GLU B 632 2.194 -6.288 5.773 1.00 0.00 H new ATOM 0 HA GLU B 632 2.774 -8.946 6.501 1.00 0.00 H new ATOM 0 HB2 GLU B 632 0.129 -7.440 6.582 1.00 0.00 H new ATOM 0 HB3 GLU B 632 0.519 -8.880 7.501 1.00 0.00 H new ATOM 0 HG2 GLU B 632 2.569 -6.976 8.049 1.00 0.00 H new ATOM 0 HG3 GLU B 632 1.044 -6.118 8.139 1.00 0.00 H new ATOM 1692 N ILE B 633 0.670 -8.554 3.997 1.00 0.00 N ATOM 1693 CA ILE B 633 0.007 -9.251 2.903 1.00 0.00 C ATOM 1694 C ILE B 633 1.021 -9.786 1.897 1.00 0.00 C ATOM 1695 O ILE B 633 0.810 -10.833 1.285 1.00 0.00 O ATOM 1696 CB ILE B 633 -0.988 -8.331 2.170 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -2.091 -7.873 3.126 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.585 -9.046 0.968 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -2.516 -6.437 2.914 1.00 0.00 C ATOM 0 H ILE B 633 0.571 -7.539 3.973 1.00 0.00 H new ATOM 0 HA ILE B 633 -0.538 -10.085 3.345 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.452 -7.451 1.814 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -2.958 -8.522 3.005 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -1.744 -7.993 4.152 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.286 -8.383 0.461 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -0.788 -9.327 0.279 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.109 -9.942 1.301 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -3.301 -6.181 3.626 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -1.661 -5.778 3.064 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -2.894 -6.315 1.899 1.00 0.00 H new ATOM 1710 N ALA B 634 2.123 -9.063 1.733 1.00 0.00 N ATOM 1711 CA ALA B 634 3.172 -9.467 0.806 1.00 0.00 C ATOM 1712 C ALA B 634 3.867 -10.738 1.283 1.00 0.00 C ATOM 1713 O ALA B 634 4.171 -11.627 0.489 1.00 0.00 O ATOM 1714 CB ALA B 634 4.183 -8.344 0.630 1.00 0.00 C ATOM 0 H ALA B 634 2.313 -8.193 2.231 1.00 0.00 H new ATOM 0 HA ALA B 634 2.709 -9.678 -0.158 1.00 0.00 H new ATOM 0 HB1 ALA B 634 4.961 -8.660 -0.065 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.681 -7.461 0.235 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.633 -8.105 1.594 1.00 0.00 H new ATOM 1720 N VAL B 635 4.118 -10.815 2.586 1.00 0.00 N ATOM 1721 CA VAL B 635 4.778 -11.976 3.170 1.00 0.00 C ATOM 1722 C VAL B 635 3.810 -13.146 3.309 1.00 0.00 C ATOM 1723 O VAL B 635 4.205 -14.307 3.210 1.00 0.00 O ATOM 1724 CB VAL B 635 5.371 -11.649 4.553 1.00 0.00 C ATOM 1725 CG1 VAL B 635 4.271 -11.259 5.528 1.00 0.00 C ATOM 1726 CG2 VAL B 635 6.170 -12.831 5.083 1.00 0.00 C ATOM 0 H VAL B 635 3.874 -10.087 3.257 1.00 0.00 H new ATOM 0 HA VAL B 635 5.586 -12.254 2.493 1.00 0.00 H new ATOM 0 HB VAL B 635 6.047 -10.800 4.447 1.00 0.00 H new ATOM 0 HG11 VAL B 635 4.710 -11.032 6.500 1.00 0.00 H new ATOM 0 HG12 VAL B 635 3.746 -10.381 5.152 1.00 0.00 H new ATOM 0 HG13 VAL B 635 3.567 -12.085 5.632 1.00 0.00 H new ATOM 0 HG21 VAL B 635 6.582 -12.582 6.061 1.00 0.00 H new ATOM 0 HG22 VAL B 635 5.518 -13.700 5.174 1.00 0.00 H new ATOM 0 HG23 VAL B 635 6.983 -13.059 4.394 1.00 0.00 H new ATOM 1736 N GLU B 636 2.538 -12.832 3.537 1.00 0.00 N ATOM 1737 CA GLU B 636 1.513 -13.857 3.690 1.00 0.00 C ATOM 1738 C GLU B 636 1.363 -14.671 2.408 1.00 0.00 C ATOM 1739 O GLU B 636 1.427 -15.900 2.430 1.00 0.00 O ATOM 1740 CB GLU B 636 0.174 -13.220 4.063 1.00 0.00 C ATOM 1741 CG GLU B 636 -0.224 -13.443 5.513 1.00 0.00 C ATOM 1742 CD GLU B 636 -0.351 -14.913 5.863 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -0.513 -15.733 4.935 1.00 0.00 O ATOM 1744 OE2 GLU B 636 -0.290 -15.243 7.067 1.00 0.00 O ATOM 0 H GLU B 636 2.193 -11.876 3.620 1.00 0.00 H new ATOM 0 HA GLU B 636 1.823 -14.527 4.492 1.00 0.00 H new ATOM 0 HB2 GLU B 636 0.225 -12.148 3.870 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -0.604 -13.624 3.415 1.00 0.00 H new ATOM 0 HG2 GLU B 636 0.517 -12.981 6.165 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -1.174 -12.944 5.706 1.00 0.00 H new ATOM 1749 N GLN B 637 1.161 -13.976 1.294 1.00 0.00 N ATOM 1750 CA GLN B 637 1.000 -14.633 0.002 1.00 0.00 C ATOM 1751 C GLN B 637 2.298 -15.305 -0.432 1.00 0.00 C ATOM 1752 O GLN B 637 2.280 -16.312 -1.139 1.00 0.00 O ATOM 1753 CB GLN B 637 0.556 -13.622 -1.057 1.00 0.00 C ATOM 1754 CG GLN B 637 1.662 -12.678 -1.498 1.00 0.00 C ATOM 1755 CD GLN B 637 2.389 -13.168 -2.735 1.00 0.00 C ATOM 1756 OE1 GLN B 637 1.851 -13.956 -3.514 1.00 0.00 O ATOM 1757 NE2 GLN B 637 3.620 -12.704 -2.922 1.00 0.00 N ATOM 0 H GLN B 637 1.105 -12.958 1.260 1.00 0.00 H new ATOM 0 HA GLN B 637 0.232 -15.400 0.106 1.00 0.00 H new ATOM 0 HB2 GLN B 637 0.181 -14.161 -1.927 1.00 0.00 H new ATOM 0 HB3 GLN B 637 -0.274 -13.036 -0.663 1.00 0.00 H new ATOM 0 HG2 GLN B 637 1.237 -11.694 -1.697 1.00 0.00 H new ATOM 0 HG3 GLN B 637 2.377 -12.558 -0.685 1.00 0.00 H new ATOM 0 HE21 GLN B 637 4.027 -12.052 -2.251 1.00 0.00 H new ATOM 0 HE22 GLN B 637 4.158 -12.999 -3.737 1.00 0.00 H new ATOM 1764 N ALA B 638 3.423 -14.741 -0.005 1.00 0.00 N ATOM 1765 CA ALA B 638 4.730 -15.287 -0.349 1.00 0.00 C ATOM 1766 C ALA B 638 4.868 -16.726 0.135 1.00 0.00 C ATOM 1767 O ALA B 638 5.639 -17.507 -0.421 1.00 0.00 O ATOM 1768 CB ALA B 638 5.835 -14.422 0.240 1.00 0.00 C ATOM 0 H ALA B 638 3.455 -13.906 0.580 1.00 0.00 H new ATOM 0 HA ALA B 638 4.822 -15.286 -1.435 1.00 0.00 H new ATOM 0 HB1 ALA B 638 6.806 -14.841 -0.025 1.00 0.00 H new ATOM 0 HB2 ALA B 638 5.756 -13.410 -0.158 1.00 0.00 H new ATOM 0 HB3 ALA B 638 5.736 -14.394 1.325 1.00 0.00 H new ATOM 1774 N ALA B 639 4.117 -17.071 1.176 1.00 0.00 N ATOM 1775 CA ALA B 639 4.155 -18.417 1.733 1.00 0.00 C ATOM 1776 C ALA B 639 3.327 -19.383 0.892 1.00 0.00 C ATOM 1777 O ALA B 639 3.583 -20.587 0.880 1.00 0.00 O ATOM 1778 CB ALA B 639 3.658 -18.407 3.171 1.00 0.00 C ATOM 0 H ALA B 639 3.475 -16.436 1.650 1.00 0.00 H new ATOM 0 HA ALA B 639 5.190 -18.760 1.720 1.00 0.00 H new ATOM 0 HB1 ALA B 639 3.692 -19.419 3.575 1.00 0.00 H new ATOM 0 HB2 ALA B 639 4.293 -17.756 3.771 1.00 0.00 H new ATOM 0 HB3 ALA B 639 2.632 -18.039 3.199 1.00 0.00 H new ATOM 1784 N LEU B 640 2.333 -18.849 0.192 1.00 0.00 N ATOM 1785 CA LEU B 640 1.467 -19.664 -0.652 1.00 0.00 C ATOM 1786 C LEU B 640 1.868 -19.548 -2.119 1.00 0.00 C ATOM 1787 O LEU B 640 1.048 -19.748 -3.015 1.00 0.00 O ATOM 1788 CB LEU B 640 0.006 -19.242 -0.477 1.00 0.00 C ATOM 1789 CG LEU B 640 -0.438 -18.943 0.956 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -1.777 -18.224 0.959 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -0.519 -20.228 1.768 1.00 0.00 C ATOM 0 H LEU B 640 2.106 -17.854 0.192 1.00 0.00 H new ATOM 0 HA LEU B 640 1.579 -20.704 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.170 -18.354 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -0.630 -20.032 -0.876 1.00 0.00 H new ATOM 0 HG LEU B 640 0.303 -18.291 1.418 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -2.078 -18.019 1.986 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -1.687 -17.285 0.413 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -2.528 -18.852 0.479 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -0.836 -19.996 2.785 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -1.240 -20.904 1.308 1.00 0.00 H new ATOM 0 HD23 LEU B 640 0.461 -20.705 1.793 1.00 0.00 H new ATOM 1802 N GLN B 641 3.135 -19.224 -2.355 1.00 0.00 N ATOM 1803 CA GLN B 641 3.646 -19.083 -3.714 1.00 0.00 C ATOM 1804 C GLN B 641 3.323 -20.318 -4.548 1.00 0.00 C ATOM 1805 O GLN B 641 2.782 -20.210 -5.649 1.00 0.00 O ATOM 1806 CB GLN B 641 5.158 -18.850 -3.692 1.00 0.00 C ATOM 1807 CG GLN B 641 5.548 -17.427 -3.324 1.00 0.00 C ATOM 1808 CD GLN B 641 5.467 -16.476 -4.502 1.00 0.00 C ATOM 1809 OE1 GLN B 641 6.386 -16.402 -5.319 1.00 0.00 O ATOM 1810 NE2 GLN B 641 4.365 -15.743 -4.596 1.00 0.00 N ATOM 0 H GLN B 641 3.826 -19.054 -1.624 1.00 0.00 H new ATOM 0 HA GLN B 641 3.159 -18.221 -4.170 1.00 0.00 H new ATOM 0 HB2 GLN B 641 5.613 -19.539 -2.980 1.00 0.00 H new ATOM 0 HB3 GLN B 641 5.569 -19.088 -4.673 1.00 0.00 H new ATOM 0 HG2 GLN B 641 4.895 -17.070 -2.528 1.00 0.00 H new ATOM 0 HG3 GLN B 641 6.564 -17.424 -2.928 1.00 0.00 H new ATOM 0 HE21 GLN B 641 3.629 -15.837 -3.896 1.00 0.00 H new ATOM 0 HE22 GLN B 641 4.254 -15.086 -5.368 1.00 0.00 H new ATOM 1817 N SER B 642 3.658 -21.489 -4.018 1.00 0.00 N ATOM 1818 CA SER B 642 3.407 -22.745 -4.715 1.00 0.00 C ATOM 1819 C SER B 642 1.926 -22.893 -5.051 1.00 0.00 C ATOM 1820 O SER B 642 1.560 -23.578 -6.005 1.00 0.00 O ATOM 1821 CB SER B 642 3.869 -23.927 -3.863 1.00 0.00 C ATOM 1822 OG SER B 642 4.605 -23.486 -2.735 1.00 0.00 O ATOM 0 H SER B 642 4.105 -21.595 -3.107 1.00 0.00 H new ATOM 0 HA SER B 642 3.974 -22.735 -5.646 1.00 0.00 H new ATOM 0 HB2 SER B 642 3.004 -24.502 -3.534 1.00 0.00 H new ATOM 0 HB3 SER B 642 4.486 -24.594 -4.465 1.00 0.00 H new ATOM 0 HG SER B 642 4.888 -24.261 -2.205 1.00 0.00 H new ATOM 1827 N ALA B 643 1.079 -22.246 -4.257 1.00 0.00 N ATOM 1828 CA ALA B 643 -0.363 -22.304 -4.469 1.00 0.00 C ATOM 1829 C ALA B 643 -0.791 -21.361 -5.589 1.00 0.00 C ATOM 1830 O ALA B 643 -1.753 -21.633 -6.306 1.00 0.00 O ATOM 1831 CB ALA B 643 -1.099 -21.966 -3.181 1.00 0.00 C ATOM 0 H ALA B 643 1.366 -21.676 -3.461 1.00 0.00 H new ATOM 0 HA ALA B 643 -0.622 -23.320 -4.766 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -2.174 -22.013 -3.353 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -0.824 -22.682 -2.406 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -0.827 -20.961 -2.859 1.00 0.00 H new ATOM 1837 N TRP B 644 -0.070 -20.255 -5.731 1.00 0.00 N ATOM 1838 CA TRP B 644 -0.378 -19.271 -6.764 1.00 0.00 C ATOM 1839 C TRP B 644 -0.483 -19.934 -8.133 1.00 0.00 C ATOM 1840 O TRP B 644 0.187 -20.932 -8.401 1.00 0.00 O ATOM 1841 CB TRP B 644 0.695 -18.180 -6.793 1.00 0.00 C ATOM 1842 CG TRP B 644 0.302 -16.984 -7.607 1.00 0.00 C ATOM 1843 CD1 TRP B 644 0.390 -16.853 -8.964 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.235 -15.752 -7.115 1.00 0.00 C ATOM 1845 NE1 TRP B 644 -0.062 -15.612 -9.345 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.452 -14.919 -8.230 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.557 -15.272 -5.844 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -0.973 -13.633 -8.108 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -1.075 -13.997 -5.724 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -1.279 -13.189 -6.850 1.00 0.00 C ATOM 0 H TRP B 644 0.731 -20.017 -5.146 1.00 0.00 H new ATOM 0 HA TRP B 644 -1.341 -18.819 -6.525 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.908 -17.862 -5.772 1.00 0.00 H new ATOM 0 HB3 TRP B 644 1.618 -18.598 -7.196 1.00 0.00 H new ATOM 0 HD1 TRP B 644 0.760 -17.612 -9.638 1.00 0.00 H new ATOM 0 HE1 TRP B 644 -0.101 -15.264 -10.303 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.404 -15.887 -4.970 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -1.130 -13.009 -8.975 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.327 -13.617 -4.745 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.686 -12.197 -6.723 1.00 0.00 H new ATOM 1860 N GLN B 645 -1.325 -19.374 -8.995 1.00 0.00 N ATOM 1861 CA GLN B 645 -1.517 -19.913 -10.336 1.00 0.00 C ATOM 1862 C GLN B 645 -0.670 -19.156 -11.353 1.00 0.00 C ATOM 1863 O GLN B 645 0.220 -19.726 -11.984 1.00 0.00 O ATOM 1864 CB GLN B 645 -2.992 -19.843 -10.731 1.00 0.00 C ATOM 1865 CG GLN B 645 -3.912 -20.599 -9.785 1.00 0.00 C ATOM 1866 CD GLN B 645 -3.808 -22.102 -9.948 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -4.465 -22.692 -10.806 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -2.979 -22.732 -9.122 1.00 0.00 N ATOM 0 H GLN B 645 -1.885 -18.547 -8.789 1.00 0.00 H new ATOM 0 HA GLN B 645 -1.199 -20.956 -10.330 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -3.301 -18.798 -10.767 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -3.110 -20.245 -11.737 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -3.669 -20.331 -8.757 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -4.942 -20.289 -9.961 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -2.454 -22.203 -8.425 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -2.868 -23.744 -9.185 1.00 0.00 H new ATOM 1875 N GLY B 646 -0.951 -17.866 -11.508 1.00 0.00 N ATOM 1876 CA GLY B 646 -0.206 -17.051 -12.450 1.00 0.00 C ATOM 1877 C GLY B 646 -0.707 -17.206 -13.872 1.00 0.00 C ATOM 1878 O GLY B 646 -0.014 -16.846 -14.825 1.00 0.00 O ATOM 0 H GLY B 646 -1.682 -17.370 -10.998 1.00 0.00 H new ATOM 0 HA2 GLY B 646 -0.276 -16.004 -12.155 1.00 0.00 H new ATOM 0 HA3 GLY B 646 0.848 -17.324 -12.408 1.00 0.00 H new ATOM 1882 N ASP B 647 -1.912 -17.745 -14.018 1.00 0.00 N ATOM 1883 CA ASP B 647 -2.505 -17.948 -15.336 1.00 0.00 C ATOM 1884 C ASP B 647 -3.773 -17.115 -15.494 1.00 0.00 C ATOM 1885 O ASP B 647 -4.147 -16.740 -16.606 1.00 0.00 O ATOM 1886 CB ASP B 647 -2.822 -19.429 -15.552 1.00 0.00 C ATOM 1887 CG ASP B 647 -1.870 -20.086 -16.532 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -1.729 -19.572 -17.661 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -1.264 -21.117 -16.169 1.00 0.00 O ATOM 0 H ASP B 647 -2.498 -18.049 -13.241 1.00 0.00 H new ATOM 0 HA ASP B 647 -1.784 -17.625 -16.087 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -2.773 -19.951 -14.597 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -3.844 -19.530 -15.919 1.00 0.00 H new ATOM 1893 N THR B 648 -4.432 -16.829 -14.376 1.00 0.00 N ATOM 1894 CA THR B 648 -5.659 -16.043 -14.392 1.00 0.00 C ATOM 1895 C THR B 648 -5.359 -14.558 -14.560 1.00 0.00 C ATOM 1896 O THR B 648 -6.154 -13.815 -15.133 1.00 0.00 O ATOM 1897 CB THR B 648 -6.474 -16.248 -13.101 1.00 0.00 C ATOM 1898 OG1 THR B 648 -5.817 -15.609 -12.001 1.00 0.00 O ATOM 1899 CG2 THR B 648 -6.651 -17.729 -12.802 1.00 0.00 C ATOM 0 H THR B 648 -4.136 -17.130 -13.447 1.00 0.00 H new ATOM 0 HA THR B 648 -6.246 -16.390 -15.242 1.00 0.00 H new ATOM 0 HB THR B 648 -7.459 -15.803 -13.244 1.00 0.00 H new ATOM 0 HG1 THR B 648 -6.418 -15.590 -11.227 1.00 0.00 H new ATOM 0 HG21 THR B 648 -7.229 -17.849 -11.886 1.00 0.00 H new ATOM 0 HG22 THR B 648 -7.177 -18.207 -13.628 1.00 0.00 H new ATOM 0 HG23 THR B 648 -5.673 -18.194 -12.677 1.00 0.00 H new ATOM 1907 N GLY B 649 -4.204 -14.132 -14.056 1.00 0.00 N ATOM 1908 CA GLY B 649 -3.819 -12.737 -14.161 1.00 0.00 C ATOM 1909 C GLY B 649 -2.404 -12.488 -13.678 1.00 0.00 C ATOM 1910 O GLY B 649 -1.451 -13.060 -14.207 1.00 0.00 O ATOM 0 H GLY B 649 -3.529 -14.728 -13.577 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -3.907 -12.416 -15.199 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -4.511 -12.128 -13.579 1.00 0.00 H new ATOM 1914 N ILE B 650 -2.266 -11.632 -12.671 1.00 0.00 N ATOM 1915 CA ILE B 650 -0.957 -11.309 -12.118 1.00 0.00 C ATOM 1916 C ILE B 650 -0.215 -12.570 -11.687 1.00 0.00 C ATOM 1917 O ILE B 650 -0.819 -13.517 -11.183 1.00 0.00 O ATOM 1918 CB ILE B 650 -1.074 -10.359 -10.911 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -1.744 -9.049 -11.329 1.00 0.00 C ATOM 1920 CG2 ILE B 650 0.297 -10.092 -10.311 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -1.876 -8.050 -10.200 1.00 0.00 C ATOM 0 H ILE B 650 -3.045 -11.150 -12.222 1.00 0.00 H new ATOM 0 HA ILE B 650 -0.395 -10.812 -12.909 1.00 0.00 H new ATOM 0 HB ILE B 650 -1.693 -10.836 -10.151 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -1.168 -8.598 -12.137 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -2.735 -9.268 -11.727 1.00 0.00 H new ATOM 0 HG21 ILE B 650 0.197 -9.419 -9.459 1.00 0.00 H new ATOM 0 HG22 ILE B 650 0.739 -11.032 -9.981 1.00 0.00 H new ATOM 0 HG23 ILE B 650 0.940 -9.633 -11.062 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.360 -7.146 -10.569 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -2.477 -8.482 -9.400 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -0.886 -7.802 -9.816 1.00 0.00 H new ATOM 1932 N THR B 651 1.099 -12.575 -11.889 1.00 0.00 N ATOM 1933 CA THR B 651 1.924 -13.719 -11.521 1.00 0.00 C ATOM 1934 C THR B 651 2.606 -13.495 -10.177 1.00 0.00 C ATOM 1935 O THR B 651 2.512 -12.415 -9.594 1.00 0.00 O ATOM 1936 CB THR B 651 2.998 -14.002 -12.588 1.00 0.00 C ATOM 1937 OG1 THR B 651 2.685 -13.301 -13.798 1.00 0.00 O ATOM 1938 CG2 THR B 651 3.096 -15.494 -12.874 1.00 0.00 C ATOM 0 H THR B 651 1.615 -11.800 -12.305 1.00 0.00 H new ATOM 0 HA THR B 651 1.258 -14.579 -11.448 1.00 0.00 H new ATOM 0 HB THR B 651 3.958 -13.656 -12.205 1.00 0.00 H new ATOM 0 HG1 THR B 651 3.374 -13.485 -14.470 1.00 0.00 H new ATOM 0 HG21 THR B 651 3.861 -15.670 -13.631 1.00 0.00 H new ATOM 0 HG22 THR B 651 3.362 -16.023 -11.959 1.00 0.00 H new ATOM 0 HG23 THR B 651 2.135 -15.859 -13.238 1.00 0.00 H new ATOM 1946 N TYR B 652 3.296 -14.521 -9.691 1.00 0.00 N ATOM 1947 CA TYR B 652 3.994 -14.437 -8.414 1.00 0.00 C ATOM 1948 C TYR B 652 5.090 -13.375 -8.460 1.00 0.00 C ATOM 1949 O TYR B 652 5.279 -12.623 -7.505 1.00 0.00 O ATOM 1950 CB TYR B 652 4.598 -15.793 -8.048 1.00 0.00 C ATOM 1951 CG TYR B 652 5.630 -16.283 -9.039 1.00 0.00 C ATOM 1952 CD1 TYR B 652 5.253 -17.007 -10.164 1.00 0.00 C ATOM 1953 CD2 TYR B 652 6.982 -16.024 -8.850 1.00 0.00 C ATOM 1954 CE1 TYR B 652 6.192 -17.457 -11.071 1.00 0.00 C ATOM 1955 CE2 TYR B 652 7.928 -16.469 -9.753 1.00 0.00 C ATOM 1956 CZ TYR B 652 7.528 -17.185 -10.862 1.00 0.00 C ATOM 1957 OH TYR B 652 8.467 -17.631 -11.763 1.00 0.00 O ATOM 0 H TYR B 652 3.387 -15.421 -10.163 1.00 0.00 H new ATOM 0 HA TYR B 652 3.269 -14.152 -7.652 1.00 0.00 H new ATOM 0 HB2 TYR B 652 5.058 -15.722 -7.062 1.00 0.00 H new ATOM 0 HB3 TYR B 652 3.798 -16.530 -7.975 1.00 0.00 H new ATOM 0 HD1 TYR B 652 4.208 -17.221 -10.332 1.00 0.00 H new ATOM 0 HD2 TYR B 652 7.299 -15.465 -7.982 1.00 0.00 H new ATOM 0 HE1 TYR B 652 5.882 -18.019 -11.940 1.00 0.00 H new ATOM 0 HE2 TYR B 652 8.975 -16.258 -9.592 1.00 0.00 H new ATOM 0 HH TYR B 652 8.710 -16.901 -12.371 1.00 0.00 H new ATOM 1966 N GLN B 653 5.805 -13.323 -9.579 1.00 0.00 N ATOM 1967 CA GLN B 653 6.881 -12.354 -9.751 1.00 0.00 C ATOM 1968 C GLN B 653 6.323 -10.957 -10.001 1.00 0.00 C ATOM 1969 O GLN B 653 6.813 -9.974 -9.448 1.00 0.00 O ATOM 1970 CB GLN B 653 7.788 -12.769 -10.911 1.00 0.00 C ATOM 1971 CG GLN B 653 7.053 -12.922 -12.233 1.00 0.00 C ATOM 1972 CD GLN B 653 7.632 -14.025 -13.097 1.00 0.00 C ATOM 1973 OE1 GLN B 653 8.238 -14.970 -12.594 1.00 0.00 O ATOM 1974 NE2 GLN B 653 7.447 -13.909 -14.408 1.00 0.00 N ATOM 0 H GLN B 653 5.659 -13.939 -10.379 1.00 0.00 H new ATOM 0 HA GLN B 653 7.465 -12.331 -8.831 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.578 -12.027 -11.028 1.00 0.00 H new ATOM 0 HB3 GLN B 653 8.272 -13.713 -10.663 1.00 0.00 H new ATOM 0 HG2 GLN B 653 6.001 -13.132 -12.038 1.00 0.00 H new ATOM 0 HG3 GLN B 653 7.093 -11.979 -12.778 1.00 0.00 H new ATOM 0 HE21 GLN B 653 6.938 -13.108 -14.782 1.00 0.00 H new ATOM 0 HE22 GLN B 653 7.814 -14.621 -15.040 1.00 0.00 H new ATOM 1981 N ALA B 654 5.293 -10.878 -10.837 1.00 0.00 N ATOM 1982 CA ALA B 654 4.666 -9.602 -11.160 1.00 0.00 C ATOM 1983 C ALA B 654 3.972 -9.008 -9.938 1.00 0.00 C ATOM 1984 O ALA B 654 3.953 -7.792 -9.756 1.00 0.00 O ATOM 1985 CB ALA B 654 3.675 -9.775 -12.302 1.00 0.00 C ATOM 0 H ALA B 654 4.875 -11.683 -11.303 1.00 0.00 H new ATOM 0 HA ALA B 654 5.447 -8.909 -11.474 1.00 0.00 H new ATOM 0 HB1 ALA B 654 3.214 -8.814 -12.533 1.00 0.00 H new ATOM 0 HB2 ALA B 654 4.197 -10.148 -13.183 1.00 0.00 H new ATOM 0 HB3 ALA B 654 2.903 -10.487 -12.009 1.00 0.00 H new ATOM 1991 N TRP B 655 3.402 -9.874 -9.108 1.00 0.00 N ATOM 1992 CA TRP B 655 2.706 -9.435 -7.905 1.00 0.00 C ATOM 1993 C TRP B 655 3.690 -8.896 -6.873 1.00 0.00 C ATOM 1994 O TRP B 655 3.547 -7.771 -6.395 1.00 0.00 O ATOM 1995 CB TRP B 655 1.900 -10.588 -7.307 1.00 0.00 C ATOM 1996 CG TRP B 655 0.899 -10.146 -6.283 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.437 -9.935 -6.481 1.00 0.00 C ATOM 1998 CD2 TRP B 655 1.152 -9.858 -4.904 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.028 -9.533 -5.307 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.074 -9.479 -4.325 1.00 0.00 C ATOM 2001 CE3 TRP B 655 2.296 -9.885 -4.101 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.186 -9.129 -2.981 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 2.184 -9.538 -2.768 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.949 -9.165 -2.219 1.00 0.00 C ATOM 0 H TRP B 655 3.408 -10.885 -9.246 1.00 0.00 H new ATOM 0 HA TRP B 655 2.024 -8.631 -8.183 1.00 0.00 H new ATOM 0 HB2 TRP B 655 1.381 -11.113 -8.109 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.585 -11.302 -6.850 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -0.952 -10.065 -7.421 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.016 -9.311 -5.186 1.00 0.00 H new ATOM 0 HE3 TRP B 655 3.251 -10.172 -4.515 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.136 -8.839 -2.556 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 3.062 -9.554 -2.139 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.893 -8.901 -1.173 1.00 0.00 H new ATOM 2014 N GLN B 656 4.688 -9.706 -6.534 1.00 0.00 N ATOM 2015 CA GLN B 656 5.695 -9.309 -5.558 1.00 0.00 C ATOM 2016 C GLN B 656 6.328 -7.976 -5.939 1.00 0.00 C ATOM 2017 O GLN B 656 6.784 -7.225 -5.078 1.00 0.00 O ATOM 2018 CB GLN B 656 6.776 -10.386 -5.441 1.00 0.00 C ATOM 2019 CG GLN B 656 6.314 -11.634 -4.706 1.00 0.00 C ATOM 2020 CD GLN B 656 7.224 -11.999 -3.549 1.00 0.00 C ATOM 2021 OE1 GLN B 656 8.020 -12.934 -3.641 1.00 0.00 O ATOM 2022 NE2 GLN B 656 7.111 -11.261 -2.451 1.00 0.00 N ATOM 0 H GLN B 656 4.820 -10.640 -6.921 1.00 0.00 H new ATOM 0 HA GLN B 656 5.202 -9.193 -4.593 1.00 0.00 H new ATOM 0 HB2 GLN B 656 7.109 -10.665 -6.441 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.639 -9.968 -4.923 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.302 -11.478 -4.332 1.00 0.00 H new ATOM 0 HG3 GLN B 656 6.270 -12.468 -5.406 1.00 0.00 H new ATOM 0 HE21 GLN B 656 6.438 -10.495 -2.418 1.00 0.00 H new ATOM 0 HE22 GLN B 656 7.697 -11.460 -1.640 1.00 0.00 H new ATOM 2029 N ALA B 657 6.353 -7.688 -7.237 1.00 0.00 N ATOM 2030 CA ALA B 657 6.928 -6.445 -7.733 1.00 0.00 C ATOM 2031 C ALA B 657 5.866 -5.357 -7.853 1.00 0.00 C ATOM 2032 O ALA B 657 6.172 -4.167 -7.778 1.00 0.00 O ATOM 2033 CB ALA B 657 7.606 -6.675 -9.075 1.00 0.00 C ATOM 0 H ALA B 657 5.981 -8.300 -7.963 1.00 0.00 H new ATOM 0 HA ALA B 657 7.675 -6.108 -7.015 1.00 0.00 H new ATOM 0 HB1 ALA B 657 8.031 -5.737 -9.433 1.00 0.00 H new ATOM 0 HB2 ALA B 657 8.400 -7.413 -8.960 1.00 0.00 H new ATOM 0 HB3 ALA B 657 6.873 -7.040 -9.795 1.00 0.00 H new ATOM 2039 N GLN B 658 4.618 -5.774 -8.042 1.00 0.00 N ATOM 2040 CA GLN B 658 3.511 -4.834 -8.174 1.00 0.00 C ATOM 2041 C GLN B 658 3.117 -4.262 -6.817 1.00 0.00 C ATOM 2042 O GLN B 658 3.050 -3.046 -6.640 1.00 0.00 O ATOM 2043 CB GLN B 658 2.307 -5.521 -8.821 1.00 0.00 C ATOM 2044 CG GLN B 658 2.288 -5.417 -10.337 1.00 0.00 C ATOM 2045 CD GLN B 658 1.151 -6.201 -10.962 1.00 0.00 C ATOM 2046 OE1 GLN B 658 -0.018 -5.835 -10.828 1.00 0.00 O ATOM 2047 NE2 GLN B 658 1.487 -7.284 -11.651 1.00 0.00 N ATOM 0 H GLN B 658 4.348 -6.756 -8.107 1.00 0.00 H new ATOM 0 HA GLN B 658 3.838 -4.013 -8.812 1.00 0.00 H new ATOM 0 HB2 GLN B 658 2.304 -6.573 -8.538 1.00 0.00 H new ATOM 0 HB3 GLN B 658 1.392 -5.082 -8.424 1.00 0.00 H new ATOM 0 HG2 GLN B 658 2.203 -4.369 -10.624 1.00 0.00 H new ATOM 0 HG3 GLN B 658 3.236 -5.780 -10.734 1.00 0.00 H new ATOM 0 HE21 GLN B 658 2.468 -7.550 -11.736 1.00 0.00 H new ATOM 0 HE22 GLN B 658 0.764 -7.850 -12.095 1.00 0.00 H new ATOM 2054 N TRP B 659 2.858 -5.147 -5.860 1.00 0.00 N ATOM 2055 CA TRP B 659 2.469 -4.729 -4.518 1.00 0.00 C ATOM 2056 C TRP B 659 3.520 -3.806 -3.910 1.00 0.00 C ATOM 2057 O TRP B 659 3.187 -2.808 -3.273 1.00 0.00 O ATOM 2058 CB TRP B 659 2.266 -5.950 -3.620 1.00 0.00 C ATOM 2059 CG TRP B 659 1.739 -5.607 -2.260 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.461 -5.167 -1.188 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.376 -5.677 -1.827 1.00 0.00 C ATOM 2062 NE1 TRP B 659 1.629 -4.959 -0.114 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.345 -5.264 -0.480 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -0.821 -6.046 -2.445 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.836 -5.213 0.256 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -1.993 -5.995 -1.713 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -1.993 -5.580 -0.375 1.00 0.00 C ATOM 0 H TRP B 659 2.910 -6.157 -5.989 1.00 0.00 H new ATOM 0 HA TRP B 659 1.530 -4.181 -4.593 1.00 0.00 H new ATOM 0 HB2 TRP B 659 1.575 -6.639 -4.106 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.215 -6.474 -3.512 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.529 -5.006 -1.184 1.00 0.00 H new ATOM 0 HE1 TRP B 659 1.921 -4.631 0.807 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -0.831 -6.366 -3.477 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.838 -4.895 1.288 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -2.924 -6.280 -2.181 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -2.925 -5.549 0.169 1.00 0.00 H new ATOM 2077 N ASN B 660 4.789 -4.147 -4.112 1.00 0.00 N ATOM 2078 CA ASN B 660 5.889 -3.347 -3.583 1.00 0.00 C ATOM 2079 C ASN B 660 5.757 -1.889 -4.013 1.00 0.00 C ATOM 2080 O ASN B 660 5.839 -0.979 -3.188 1.00 0.00 O ATOM 2081 CB ASN B 660 7.229 -3.911 -4.055 1.00 0.00 C ATOM 2082 CG ASN B 660 8.185 -4.169 -2.906 1.00 0.00 C ATOM 2083 OD1 ASN B 660 8.376 -3.314 -2.038 1.00 0.00 O ATOM 2084 ND2 ASN B 660 8.791 -5.350 -2.894 1.00 0.00 N ATOM 0 H ASN B 660 5.081 -4.971 -4.638 1.00 0.00 H new ATOM 0 HA ASN B 660 5.847 -3.391 -2.495 1.00 0.00 H new ATOM 0 HB2 ASN B 660 7.058 -4.841 -4.597 1.00 0.00 H new ATOM 0 HB3 ASN B 660 7.687 -3.213 -4.756 1.00 0.00 H new ATOM 0 HD21 ASN B 660 9.445 -5.580 -2.146 1.00 0.00 H new ATOM 0 HD22 ASN B 660 8.603 -6.027 -3.633 1.00 0.00 H new ATOM 2090 N GLN B 661 5.552 -1.677 -5.309 1.00 0.00 N ATOM 2091 CA GLN B 661 5.410 -0.330 -5.848 1.00 0.00 C ATOM 2092 C GLN B 661 4.168 0.354 -5.285 1.00 0.00 C ATOM 2093 O GLN B 661 4.221 1.511 -4.869 1.00 0.00 O ATOM 2094 CB GLN B 661 5.333 -0.375 -7.375 1.00 0.00 C ATOM 2095 CG GLN B 661 6.651 -0.738 -8.040 1.00 0.00 C ATOM 2096 CD GLN B 661 7.495 0.479 -8.367 1.00 0.00 C ATOM 2097 OE1 GLN B 661 7.175 1.245 -9.277 1.00 0.00 O ATOM 2098 NE2 GLN B 661 8.579 0.664 -7.624 1.00 0.00 N ATOM 0 H GLN B 661 5.481 -2.420 -6.004 1.00 0.00 H new ATOM 0 HA GLN B 661 6.286 0.247 -5.552 1.00 0.00 H new ATOM 0 HB2 GLN B 661 4.574 -1.100 -7.671 1.00 0.00 H new ATOM 0 HB3 GLN B 661 5.006 0.597 -7.743 1.00 0.00 H new ATOM 0 HG2 GLN B 661 7.215 -1.400 -7.383 1.00 0.00 H new ATOM 0 HG3 GLN B 661 6.450 -1.293 -8.956 1.00 0.00 H new ATOM 0 HE21 GLN B 661 8.806 0.004 -6.880 1.00 0.00 H new ATOM 0 HE22 GLN B 661 9.185 1.466 -7.797 1.00 0.00 H new ATOM 2105 N ALA B 662 3.053 -0.369 -5.276 1.00 0.00 N ATOM 2106 CA ALA B 662 1.799 0.167 -4.763 1.00 0.00 C ATOM 2107 C ALA B 662 1.950 0.627 -3.316 1.00 0.00 C ATOM 2108 O ALA B 662 1.650 1.773 -2.985 1.00 0.00 O ATOM 2109 CB ALA B 662 0.695 -0.873 -4.876 1.00 0.00 C ATOM 0 H ALA B 662 2.993 -1.328 -5.618 1.00 0.00 H new ATOM 0 HA ALA B 662 1.529 1.034 -5.366 1.00 0.00 H new ATOM 0 HB1 ALA B 662 -0.236 -0.459 -4.489 1.00 0.00 H new ATOM 0 HB2 ALA B 662 0.562 -1.150 -5.922 1.00 0.00 H new ATOM 0 HB3 ALA B 662 0.967 -1.756 -4.298 1.00 0.00 H new ATOM 2115 N MET B 663 2.416 -0.276 -2.460 1.00 0.00 N ATOM 2116 CA MET B 663 2.606 0.037 -1.048 1.00 0.00 C ATOM 2117 C MET B 663 3.525 1.244 -0.878 1.00 0.00 C ATOM 2118 O MET B 663 3.145 2.242 -0.268 1.00 0.00 O ATOM 2119 CB MET B 663 3.189 -1.169 -0.309 1.00 0.00 C ATOM 2120 CG MET B 663 2.255 -1.746 0.743 1.00 0.00 C ATOM 2121 SD MET B 663 1.854 -0.561 2.040 1.00 0.00 S ATOM 2122 CE MET B 663 0.070 -0.499 1.903 1.00 0.00 C ATOM 0 H MET B 663 2.669 -1.230 -2.719 1.00 0.00 H new ATOM 0 HA MET B 663 1.633 0.279 -0.622 1.00 0.00 H new ATOM 0 HB2 MET B 663 3.432 -1.946 -1.034 1.00 0.00 H new ATOM 0 HB3 MET B 663 4.124 -0.875 0.168 1.00 0.00 H new ATOM 0 HG2 MET B 663 1.335 -2.079 0.263 1.00 0.00 H new ATOM 0 HG3 MET B 663 2.717 -2.626 1.190 1.00 0.00 H new ATOM 0 HE1 MET B 663 -0.272 0.523 2.063 1.00 0.00 H new ATOM 0 HE2 MET B 663 -0.230 -0.830 0.909 1.00 0.00 H new ATOM 0 HE3 MET B 663 -0.375 -1.152 2.653 1.00 0.00 H new ATOM 2130 N GLU B 664 4.733 1.143 -1.421 1.00 0.00 N ATOM 2131 CA GLU B 664 5.706 2.226 -1.328 1.00 0.00 C ATOM 2132 C GLU B 664 5.099 3.544 -1.801 1.00 0.00 C ATOM 2133 O GLU B 664 5.429 4.612 -1.287 1.00 0.00 O ATOM 2134 CB GLU B 664 6.949 1.898 -2.157 1.00 0.00 C ATOM 2135 CG GLU B 664 8.094 2.874 -1.948 1.00 0.00 C ATOM 2136 CD GLU B 664 9.437 2.181 -1.823 1.00 0.00 C ATOM 2137 OE1 GLU B 664 9.626 1.132 -2.475 1.00 0.00 O ATOM 2138 OE2 GLU B 664 10.299 2.686 -1.074 1.00 0.00 O ATOM 0 H GLU B 664 5.062 0.323 -1.930 1.00 0.00 H new ATOM 0 HA GLU B 664 5.994 2.332 -0.282 1.00 0.00 H new ATOM 0 HB2 GLU B 664 7.289 0.893 -1.905 1.00 0.00 H new ATOM 0 HB3 GLU B 664 6.679 1.888 -3.213 1.00 0.00 H new ATOM 0 HG2 GLU B 664 8.127 3.574 -2.783 1.00 0.00 H new ATOM 0 HG3 GLU B 664 7.907 3.460 -1.048 1.00 0.00 H new ATOM 2143 N ASP B 665 4.210 3.459 -2.785 1.00 0.00 N ATOM 2144 CA ASP B 665 3.555 4.643 -3.329 1.00 0.00 C ATOM 2145 C ASP B 665 2.636 5.281 -2.291 1.00 0.00 C ATOM 2146 O ASP B 665 2.704 6.485 -2.041 1.00 0.00 O ATOM 2147 CB ASP B 665 2.757 4.281 -4.582 1.00 0.00 C ATOM 2148 CG ASP B 665 2.219 5.505 -5.299 1.00 0.00 C ATOM 2149 OD1 ASP B 665 2.511 6.632 -4.848 1.00 0.00 O ATOM 2150 OD2 ASP B 665 1.507 5.334 -6.310 1.00 0.00 O ATOM 0 H ASP B 665 3.926 2.582 -3.222 1.00 0.00 H new ATOM 0 HA ASP B 665 4.327 5.364 -3.596 1.00 0.00 H new ATOM 0 HB2 ASP B 665 3.392 3.714 -5.263 1.00 0.00 H new ATOM 0 HB3 ASP B 665 1.927 3.631 -4.306 1.00 0.00 H new ATOM 2154 N LEU B 666 1.776 4.465 -1.689 1.00 0.00 N ATOM 2155 CA LEU B 666 0.843 4.948 -0.678 1.00 0.00 C ATOM 2156 C LEU B 666 1.584 5.620 0.472 1.00 0.00 C ATOM 2157 O LEU B 666 1.237 6.727 0.887 1.00 0.00 O ATOM 2158 CB LEU B 666 -0.008 3.792 -0.147 1.00 0.00 C ATOM 2159 CG LEU B 666 -0.669 2.906 -1.202 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -0.673 1.453 -0.752 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -2.087 3.381 -1.486 1.00 0.00 C ATOM 0 H LEU B 666 1.706 3.466 -1.884 1.00 0.00 H new ATOM 0 HA LEU B 666 0.191 5.686 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU B 666 0.621 3.164 0.484 1.00 0.00 H new ATOM 0 HB3 LEU B 666 -0.788 4.205 0.492 1.00 0.00 H new ATOM 0 HG LEU B 666 -0.091 2.979 -2.123 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -1.148 0.837 -1.516 1.00 0.00 H new ATOM 0 HD12 LEU B 666 0.352 1.116 -0.600 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -1.227 1.363 0.183 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -2.542 2.738 -2.240 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -2.675 3.338 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU B 666 -2.060 4.407 -1.853 1.00 0.00 H new ATOM 2172 N VAL B 667 2.608 4.946 0.984 1.00 0.00 N ATOM 2173 CA VAL B 667 3.402 5.478 2.084 1.00 0.00 C ATOM 2174 C VAL B 667 3.896 6.887 1.774 1.00 0.00 C ATOM 2175 O VAL B 667 3.753 7.798 2.589 1.00 0.00 O ATOM 2176 CB VAL B 667 4.614 4.577 2.390 1.00 0.00 C ATOM 2177 CG1 VAL B 667 5.344 5.068 3.631 1.00 0.00 C ATOM 2178 CG2 VAL B 667 4.173 3.131 2.558 1.00 0.00 C ATOM 0 H VAL B 667 2.908 4.029 0.654 1.00 0.00 H new ATOM 0 HA VAL B 667 2.751 5.508 2.958 1.00 0.00 H new ATOM 0 HB VAL B 667 5.304 4.627 1.548 1.00 0.00 H new ATOM 0 HG11 VAL B 667 6.197 4.420 3.832 1.00 0.00 H new ATOM 0 HG12 VAL B 667 5.694 6.087 3.468 1.00 0.00 H new ATOM 0 HG13 VAL B 667 4.665 5.049 4.484 1.00 0.00 H new ATOM 0 HG21 VAL B 667 5.041 2.508 2.774 1.00 0.00 H new ATOM 0 HG22 VAL B 667 3.463 3.061 3.382 1.00 0.00 H new ATOM 0 HG23 VAL B 667 3.699 2.786 1.639 1.00 0.00 H new ATOM 2188 N ARG B 668 4.477 7.058 0.591 1.00 0.00 N ATOM 2189 CA ARG B 668 4.993 8.356 0.174 1.00 0.00 C ATOM 2190 C ARG B 668 3.852 9.328 -0.108 1.00 0.00 C ATOM 2191 O ARG B 668 3.995 10.537 0.073 1.00 0.00 O ATOM 2192 CB ARG B 668 5.867 8.204 -1.073 1.00 0.00 C ATOM 2193 CG ARG B 668 7.136 7.402 -0.833 1.00 0.00 C ATOM 2194 CD ARG B 668 8.118 7.556 -1.982 1.00 0.00 C ATOM 2195 NE ARG B 668 8.816 8.839 -1.939 1.00 0.00 N ATOM 2196 CZ ARG B 668 9.638 9.261 -2.893 1.00 0.00 C ATOM 2197 NH1 ARG B 668 9.863 8.508 -3.960 1.00 0.00 N ATOM 2198 NH2 ARG B 668 10.236 10.440 -2.780 1.00 0.00 N ATOM 0 H ARG B 668 4.602 6.314 -0.095 1.00 0.00 H new ATOM 0 HA ARG B 668 5.598 8.758 0.987 1.00 0.00 H new ATOM 0 HB2 ARG B 668 5.285 7.721 -1.858 1.00 0.00 H new ATOM 0 HB3 ARG B 668 6.137 9.194 -1.440 1.00 0.00 H new ATOM 0 HG2 ARG B 668 7.605 7.730 0.094 1.00 0.00 H new ATOM 0 HG3 ARG B 668 6.884 6.349 -0.707 1.00 0.00 H new ATOM 0 HD2 ARG B 668 8.846 6.746 -1.947 1.00 0.00 H new ATOM 0 HD3 ARG B 668 7.585 7.465 -2.929 1.00 0.00 H new ATOM 0 HE ARG B 668 8.664 9.444 -1.132 1.00 0.00 H new ATOM 0 HH11 ARG B 668 9.404 7.601 -4.050 1.00 0.00 H new ATOM 0 HH12 ARG B 668 10.495 8.835 -4.691 1.00 0.00 H new ATOM 0 HH21 ARG B 668 10.064 11.022 -1.960 1.00 0.00 H new ATOM 0 HH22 ARG B 668 10.867 10.764 -3.513 1.00 0.00 H new ATOM 2209 N ALA B 669 2.720 8.793 -0.552 1.00 0.00 N ATOM 2210 CA ALA B 669 1.555 9.613 -0.858 1.00 0.00 C ATOM 2211 C ALA B 669 1.141 10.451 0.348 1.00 0.00 C ATOM 2212 O ALA B 669 0.745 11.607 0.207 1.00 0.00 O ATOM 2213 CB ALA B 669 0.398 8.738 -1.317 1.00 0.00 C ATOM 0 H ALA B 669 2.585 7.794 -0.708 1.00 0.00 H new ATOM 0 HA ALA B 669 1.824 10.294 -1.666 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -0.465 9.365 -1.542 1.00 0.00 H new ATOM 0 HB2 ALA B 669 0.690 8.188 -2.212 1.00 0.00 H new ATOM 0 HB3 ALA B 669 0.139 8.034 -0.527 1.00 0.00 H new ATOM 2219 N TYR B 670 1.233 9.857 1.534 1.00 0.00 N ATOM 2220 CA TYR B 670 0.866 10.547 2.764 1.00 0.00 C ATOM 2221 C TYR B 670 1.872 11.645 3.095 1.00 0.00 C ATOM 2222 O TYR B 670 1.501 12.799 3.310 1.00 0.00 O ATOM 2223 CB TYR B 670 0.779 9.553 3.924 1.00 0.00 C ATOM 2224 CG TYR B 670 0.184 10.142 5.183 1.00 0.00 C ATOM 2225 CD1 TYR B 670 0.912 11.023 5.974 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -1.108 9.820 5.580 1.00 0.00 C ATOM 2227 CE1 TYR B 670 0.372 11.562 7.125 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -1.657 10.356 6.729 1.00 0.00 C ATOM 2229 CZ TYR B 670 -0.912 11.227 7.499 1.00 0.00 C ATOM 2230 OH TYR B 670 -1.455 11.763 8.644 1.00 0.00 O ATOM 0 H TYR B 670 1.559 8.900 1.668 1.00 0.00 H new ATOM 0 HA TYR B 670 -0.110 11.008 2.614 1.00 0.00 H new ATOM 0 HB2 TYR B 670 0.179 8.698 3.614 1.00 0.00 H new ATOM 0 HB3 TYR B 670 1.778 9.178 4.145 1.00 0.00 H new ATOM 0 HD1 TYR B 670 1.917 11.291 5.683 1.00 0.00 H new ATOM 0 HD2 TYR B 670 -1.693 9.139 4.980 1.00 0.00 H new ATOM 0 HE1 TYR B 670 0.953 12.243 7.729 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -2.663 10.095 7.023 1.00 0.00 H new ATOM 0 HH TYR B 670 -2.367 11.425 8.762 1.00 0.00 H new ATOM 2239 N HIS B 671 3.149 11.277 3.131 1.00 0.00 N ATOM 2240 CA HIS B 671 4.210 12.230 3.434 1.00 0.00 C ATOM 2241 C HIS B 671 4.198 13.390 2.443 1.00 0.00 C ATOM 2242 O HIS B 671 4.693 14.477 2.738 1.00 0.00 O ATOM 2243 CB HIS B 671 5.572 11.535 3.407 1.00 0.00 C ATOM 2244 CG HIS B 671 6.578 12.152 4.329 1.00 0.00 C ATOM 2245 ND1 HIS B 671 6.583 13.493 4.648 1.00 0.00 N ATOM 2246 CD2 HIS B 671 7.615 11.602 5.002 1.00 0.00 C ATOM 2247 CE1 HIS B 671 7.581 13.742 5.477 1.00 0.00 C ATOM 2248 NE2 HIS B 671 8.223 12.612 5.709 1.00 0.00 N ATOM 0 H HIS B 671 3.474 10.326 2.954 1.00 0.00 H new ATOM 0 HA HIS B 671 4.033 12.627 4.433 1.00 0.00 H new ATOM 0 HB2 HIS B 671 5.441 10.487 3.675 1.00 0.00 H new ATOM 0 HB3 HIS B 671 5.962 11.558 2.389 1.00 0.00 H new ATOM 0 HD1 HIS B 671 5.920 14.185 4.299 1.00 0.00 H new ATOM 0 HD2 HIS B 671 7.910 10.563 4.987 1.00 0.00 H new ATOM 0 HE1 HIS B 671 7.830 14.707 5.894 1.00 0.00 H new ATOM 2255 N ALA B 672 3.631 13.149 1.265 1.00 0.00 N ATOM 2256 CA ALA B 672 3.554 14.173 0.231 1.00 0.00 C ATOM 2257 C ALA B 672 2.927 15.454 0.773 1.00 0.00 C ATOM 2258 O ALA B 672 3.365 16.557 0.446 1.00 0.00 O ATOM 2259 CB ALA B 672 2.761 13.660 -0.962 1.00 0.00 C ATOM 0 H ALA B 672 3.218 12.254 1.004 1.00 0.00 H new ATOM 0 HA ALA B 672 4.569 14.404 -0.093 1.00 0.00 H new ATOM 0 HB1 ALA B 672 2.712 14.435 -1.727 1.00 0.00 H new ATOM 0 HB2 ALA B 672 3.251 12.777 -1.372 1.00 0.00 H new ATOM 0 HB3 ALA B 672 1.752 13.400 -0.643 1.00 0.00 H new ATOM 2265 N MET B 673 1.900 15.301 1.601 1.00 0.00 N ATOM 2266 CA MET B 673 1.214 16.446 2.189 1.00 0.00 C ATOM 2267 C MET B 673 2.138 17.208 3.132 1.00 0.00 C ATOM 2268 O MET B 673 2.086 18.435 3.210 1.00 0.00 O ATOM 2269 CB MET B 673 -0.037 15.987 2.941 1.00 0.00 C ATOM 2270 CG MET B 673 -0.691 17.089 3.760 1.00 0.00 C ATOM 2271 SD MET B 673 -2.171 16.526 4.622 1.00 0.00 S ATOM 2272 CE MET B 673 -1.468 15.340 5.765 1.00 0.00 C ATOM 0 H MET B 673 1.524 14.395 1.881 1.00 0.00 H new ATOM 0 HA MET B 673 0.918 17.115 1.381 1.00 0.00 H new ATOM 0 HB2 MET B 673 -0.761 15.600 2.224 1.00 0.00 H new ATOM 0 HB3 MET B 673 0.228 15.162 3.603 1.00 0.00 H new ATOM 0 HG2 MET B 673 0.026 17.470 4.487 1.00 0.00 H new ATOM 0 HG3 MET B 673 -0.951 17.919 3.103 1.00 0.00 H new ATOM 0 HE1 MET B 673 -2.178 15.143 6.568 1.00 0.00 H new ATOM 0 HE2 MET B 673 -1.250 14.411 5.238 1.00 0.00 H new ATOM 0 HE3 MET B 673 -0.547 15.743 6.186 1.00 0.00 H new