USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=16 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: B 652 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 653 GLN : amide:sc= -0.184 K(o=-0.18,f=-1.5!) USER MOD Set 2.1: B 637 GLN : amide:sc= -0.421 K(o=-2.2,f=-2.8) USER MOD Set 2.2: B 641 GLN : amide:sc= -1.73 K(o=-2.2,f=-2.8!) USER MOD Set 3.1: A 66 ASN : amide:sc= -0.656 K(o=0.079,f=0.65) USER MOD Set 3.2: A 67 THR OG1 : rot 76:sc= 0.735 USER MOD Set 4.1: A 25 MET CE :methyl -122:sc= -2.2 (180deg=-7.62!) USER MOD Set 4.2: B 663 MET CE :methyl -109:sc= -3.98! (180deg=-7.68!) USER MOD Single : A 21 LYS NZ :NH3+ 172:sc= -1.35 (180deg=-1.45) USER MOD Single : A 27 HIS : no HE2:sc= -0.743 X(o=-0.74,f=-1) USER MOD Single : A 28 THR OG1 : rot -140:sc= 0.0189 USER MOD Single : A 31 GLN : amide:sc= -0.136 K(o=-0.14,f=-2.1!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 55 HIS : no HD1:sc= -0.632 K(o=-0.63,f=-0.091) USER MOD Single : A 64 LYS NZ :NH3+ -154:sc= -0.122 (180deg=-0.641) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 75 ASN : amide:sc= -3.45! K(o=-3.4!,f=-0.67) USER MOD Single : B 622 TYR OH : rot 180:sc= 0 USER MOD Single : B 625 THR OG1 : rot 180:sc= 0 USER MOD Single : B 627 GLN : amide:sc= -0.174 K(o=-0.17,f=-1.3!) USER MOD Single : B 628 SER OG : rot 180:sc= 0 USER MOD Single : B 642 SER OG : rot 180:sc= 0.113 USER MOD Single : B 645 GLN : amide:sc= -0.0509 X(o=-0.051,f=-0.096) USER MOD Single : B 648 THR OG1 : rot -62:sc= 0.173 USER MOD Single : B 651 THR OG1 : rot 180:sc= 0.011 USER MOD Single : B 656 GLN : amide:sc= -0.031 X(o=-0.031,f=0) USER MOD Single : B 658 GLN : amide:sc= -0.0135 K(o=-0.013,f=-1.4) USER MOD Single : B 660 ASN : amide:sc= -0.126 K(o=-0.13,f=-1) USER MOD Single : B 661 GLN : amide:sc= -0.0652 K(o=-0.065,f=-1.6!) USER MOD Single : B 670 TYR OH : rot 12:sc= 0.114 USER MOD Single : B 671 HIS : no HD1:sc= -0.291 X(o=-0.29,f=-0.025) USER MOD Single : B 673 MET CE :methyl 150:sc=-0.00967 (180deg=-0.297) USER MOD ----------------------------------------------------------------- ATOM 222 N ALA A 17 -6.835 -16.552 7.042 1.00 0.00 N ATOM 223 CA ALA A 17 -6.240 -15.397 7.703 1.00 0.00 C ATOM 224 C ALA A 17 -5.941 -14.286 6.702 1.00 0.00 C ATOM 225 O ALA A 17 -6.078 -13.103 7.015 1.00 0.00 O ATOM 226 CB ALA A 17 -4.972 -15.805 8.438 1.00 0.00 C ATOM 0 HA ALA A 17 -6.958 -15.013 8.427 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.538 -14.933 8.927 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.213 -16.559 9.187 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.255 -16.216 7.727 1.00 0.00 H new ATOM 232 N PHE A 18 -5.530 -14.674 5.500 1.00 0.00 N ATOM 233 CA PHE A 18 -5.209 -13.710 4.454 1.00 0.00 C ATOM 234 C PHE A 18 -6.362 -12.734 4.241 1.00 0.00 C ATOM 235 O PHE A 18 -6.171 -11.518 4.258 1.00 0.00 O ATOM 236 CB PHE A 18 -4.891 -14.433 3.144 1.00 0.00 C ATOM 237 CG PHE A 18 -4.406 -13.518 2.056 1.00 0.00 C ATOM 238 CD1 PHE A 18 -5.302 -12.924 1.183 1.00 0.00 C ATOM 239 CD2 PHE A 18 -3.054 -13.253 1.907 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.859 -12.081 0.181 1.00 0.00 C ATOM 241 CE2 PHE A 18 -2.605 -12.411 0.907 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.509 -11.824 0.043 1.00 0.00 C ATOM 0 H PHE A 18 -5.411 -15.649 5.226 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.332 -13.146 4.772 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.133 -15.193 3.333 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.785 -14.953 2.799 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.359 -13.122 1.286 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.343 -13.710 2.580 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.568 -11.624 -0.493 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.549 -12.212 0.801 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.161 -11.165 -0.739 1.00 0.00 H new ATOM 251 N ALA A 19 -7.559 -13.276 4.041 1.00 0.00 N ATOM 252 CA ALA A 19 -8.743 -12.454 3.826 1.00 0.00 C ATOM 253 C ALA A 19 -9.159 -11.744 5.110 1.00 0.00 C ATOM 254 O ALA A 19 -9.651 -10.616 5.075 1.00 0.00 O ATOM 255 CB ALA A 19 -9.889 -13.306 3.298 1.00 0.00 C ATOM 0 H ALA A 19 -7.734 -14.281 4.023 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.497 -11.694 3.084 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.767 -12.679 3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.597 -13.763 2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.125 -14.087 4.021 1.00 0.00 H new ATOM 261 N ALA A 20 -8.958 -12.411 6.242 1.00 0.00 N ATOM 262 CA ALA A 20 -9.310 -11.842 7.536 1.00 0.00 C ATOM 263 C ALA A 20 -8.524 -10.563 7.807 1.00 0.00 C ATOM 264 O ALA A 20 -9.100 -9.525 8.133 1.00 0.00 O ATOM 265 CB ALA A 20 -9.067 -12.858 8.643 1.00 0.00 C ATOM 0 H ALA A 20 -8.553 -13.346 6.288 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.370 -11.588 7.517 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.334 -12.419 9.604 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.678 -13.743 8.465 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.014 -13.140 8.653 1.00 0.00 H new ATOM 271 N LYS A 21 -7.204 -10.647 7.672 1.00 0.00 N ATOM 272 CA LYS A 21 -6.338 -9.497 7.902 1.00 0.00 C ATOM 273 C LYS A 21 -6.380 -8.538 6.716 1.00 0.00 C ATOM 274 O LYS A 21 -6.022 -7.368 6.839 1.00 0.00 O ATOM 275 CB LYS A 21 -4.900 -9.958 8.148 1.00 0.00 C ATOM 276 CG LYS A 21 -4.242 -10.577 6.927 1.00 0.00 C ATOM 277 CD LYS A 21 -2.893 -9.941 6.638 1.00 0.00 C ATOM 278 CE LYS A 21 -3.041 -8.489 6.211 1.00 0.00 C ATOM 279 NZ LYS A 21 -1.779 -7.722 6.403 1.00 0.00 N ATOM 0 H LYS A 21 -6.711 -11.499 7.405 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.701 -8.971 8.785 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.306 -9.106 8.478 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.894 -10.684 8.961 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.114 -11.648 7.085 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.894 -10.458 6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.265 -9.998 7.527 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.386 -10.502 5.853 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.335 -8.447 5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.841 -8.021 6.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.878 -6.778 5.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.583 -7.624 7.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.993 -8.227 5.946 1.00 0.00 H new ATOM 289 N ALA A 22 -6.819 -9.044 5.568 1.00 0.00 N ATOM 290 CA ALA A 22 -6.911 -8.232 4.361 1.00 0.00 C ATOM 291 C ALA A 22 -7.884 -7.074 4.550 1.00 0.00 C ATOM 292 O ALA A 22 -7.559 -5.923 4.265 1.00 0.00 O ATOM 293 CB ALA A 22 -7.334 -9.091 3.177 1.00 0.00 C ATOM 0 H ALA A 22 -7.116 -10.012 5.449 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.925 -7.814 4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.399 -8.471 2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.599 -9.880 3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.308 -9.537 3.380 1.00 0.00 H new ATOM 299 N GLY A 23 -9.083 -7.388 5.036 1.00 0.00 N ATOM 300 CA GLY A 23 -10.086 -6.362 5.254 1.00 0.00 C ATOM 301 C GLY A 23 -9.585 -5.243 6.145 1.00 0.00 C ATOM 302 O GLY A 23 -10.073 -4.113 6.070 1.00 0.00 O ATOM 0 H GLY A 23 -9.376 -8.333 5.282 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.393 -5.948 4.293 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.971 -6.813 5.704 1.00 0.00 H new ATOM 306 N LEU A 24 -8.611 -5.554 6.993 1.00 0.00 N ATOM 307 CA LEU A 24 -8.045 -4.566 7.905 1.00 0.00 C ATOM 308 C LEU A 24 -7.240 -3.519 7.141 1.00 0.00 C ATOM 309 O LEU A 24 -7.042 -2.403 7.621 1.00 0.00 O ATOM 310 CB LEU A 24 -7.155 -5.251 8.943 1.00 0.00 C ATOM 311 CG LEU A 24 -7.480 -4.952 10.407 1.00 0.00 C ATOM 312 CD1 LEU A 24 -7.312 -6.202 11.256 1.00 0.00 C ATOM 313 CD2 LEU A 24 -6.599 -3.827 10.930 1.00 0.00 C ATOM 0 H LEU A 24 -8.196 -6.483 7.068 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.868 -4.065 8.415 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.216 -6.329 8.791 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.121 -4.961 8.754 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.520 -4.631 10.471 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.547 -5.971 12.295 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.986 -6.980 10.896 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.282 -6.553 11.187 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.844 -3.628 11.973 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.552 -4.119 10.853 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.769 -2.927 10.339 1.00 0.00 H new ATOM 324 N MET A 25 -6.782 -3.886 5.949 1.00 0.00 N ATOM 325 CA MET A 25 -6.002 -2.976 5.117 1.00 0.00 C ATOM 326 C MET A 25 -6.734 -1.652 4.926 1.00 0.00 C ATOM 327 O MET A 25 -6.199 -0.587 5.233 1.00 0.00 O ATOM 328 CB MET A 25 -5.714 -3.615 3.757 1.00 0.00 C ATOM 329 CG MET A 25 -5.008 -2.683 2.785 1.00 0.00 C ATOM 330 SD MET A 25 -3.399 -3.311 2.266 1.00 0.00 S ATOM 331 CE MET A 25 -2.400 -2.907 3.698 1.00 0.00 C ATOM 0 H MET A 25 -6.937 -4.806 5.537 1.00 0.00 H new ATOM 0 HA MET A 25 -5.058 -2.778 5.624 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.101 -4.504 3.905 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.653 -3.945 3.314 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.637 -2.536 1.907 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.879 -1.707 3.252 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.572 -2.267 3.395 1.00 0.00 H new ATOM 0 HE2 MET A 25 -3.012 -2.385 4.433 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.008 -3.824 4.138 1.00 0.00 H new ATOM 339 N ARG A 26 -7.959 -1.726 4.415 1.00 0.00 N ATOM 340 CA ARG A 26 -8.762 -0.533 4.181 1.00 0.00 C ATOM 341 C ARG A 26 -9.040 0.201 5.490 1.00 0.00 C ATOM 342 O ARG A 26 -9.297 1.405 5.496 1.00 0.00 O ATOM 343 CB ARG A 26 -10.083 -0.906 3.504 1.00 0.00 C ATOM 344 CG ARG A 26 -10.832 -2.027 4.207 1.00 0.00 C ATOM 345 CD ARG A 26 -12.218 -2.227 3.615 1.00 0.00 C ATOM 346 NE ARG A 26 -13.087 -2.995 4.503 1.00 0.00 N ATOM 347 CZ ARG A 26 -13.634 -2.498 5.606 1.00 0.00 C ATOM 348 NH1 ARG A 26 -13.405 -1.239 5.955 1.00 0.00 N ATOM 349 NH2 ARG A 26 -14.415 -3.260 6.362 1.00 0.00 N ATOM 0 H ARG A 26 -8.416 -2.600 4.155 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.199 0.130 3.524 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.722 -0.024 3.462 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.883 -1.204 2.475 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.263 -2.953 4.126 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.918 -1.798 5.269 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.671 -1.256 3.416 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.133 -2.741 2.658 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.284 -3.966 4.263 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.807 -0.650 5.375 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.827 -0.860 6.803 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.595 -4.228 6.096 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.835 -2.878 7.209 1.00 0.00 H new ATOM 360 N HIS A 27 -8.986 -0.532 6.597 1.00 0.00 N ATOM 361 CA HIS A 27 -9.231 0.049 7.912 1.00 0.00 C ATOM 362 C HIS A 27 -8.195 1.122 8.233 1.00 0.00 C ATOM 363 O HIS A 27 -8.542 2.235 8.630 1.00 0.00 O ATOM 364 CB HIS A 27 -9.205 -1.038 8.987 1.00 0.00 C ATOM 365 CG HIS A 27 -9.982 -0.684 10.218 1.00 0.00 C ATOM 366 ND1 HIS A 27 -10.345 0.609 10.531 1.00 0.00 N ATOM 367 CD2 HIS A 27 -10.468 -1.462 11.213 1.00 0.00 C ATOM 368 CE1 HIS A 27 -11.018 0.611 11.668 1.00 0.00 C ATOM 369 NE2 HIS A 27 -11.107 -0.633 12.101 1.00 0.00 N ATOM 0 H HIS A 27 -8.775 -1.530 6.610 1.00 0.00 H new ATOM 0 HA HIS A 27 -10.217 0.513 7.899 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.605 -1.961 8.568 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.170 -1.237 9.266 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -10.128 1.434 9.972 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.371 -2.535 11.293 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.426 1.482 12.159 1.00 0.00 H new ATOM 376 N THR A 28 -6.922 0.781 8.059 1.00 0.00 N ATOM 377 CA THR A 28 -5.836 1.715 8.331 1.00 0.00 C ATOM 378 C THR A 28 -6.027 3.019 7.566 1.00 0.00 C ATOM 379 O THR A 28 -5.956 4.103 8.143 1.00 0.00 O ATOM 380 CB THR A 28 -4.469 1.110 7.959 1.00 0.00 C ATOM 381 OG1 THR A 28 -4.452 -0.289 8.268 1.00 0.00 O ATOM 382 CG2 THR A 28 -3.346 1.813 8.705 1.00 0.00 C ATOM 0 H THR A 28 -6.618 -0.136 7.731 1.00 0.00 H new ATOM 0 HA THR A 28 -5.856 1.919 9.401 1.00 0.00 H new ATOM 0 HB THR A 28 -4.314 1.247 6.889 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.580 -0.530 8.644 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.390 1.369 8.426 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.344 2.872 8.445 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.498 1.703 9.779 1.00 0.00 H new ATOM 390 N ILE A 29 -6.272 2.905 6.265 1.00 0.00 N ATOM 391 CA ILE A 29 -6.475 4.077 5.422 1.00 0.00 C ATOM 392 C ILE A 29 -7.749 4.820 5.812 1.00 0.00 C ATOM 393 O ILE A 29 -7.743 6.040 5.977 1.00 0.00 O ATOM 394 CB ILE A 29 -6.555 3.692 3.933 1.00 0.00 C ATOM 395 CG1 ILE A 29 -5.201 3.171 3.445 1.00 0.00 C ATOM 396 CG2 ILE A 29 -7.001 4.886 3.100 1.00 0.00 C ATOM 397 CD1 ILE A 29 -4.987 1.698 3.714 1.00 0.00 C ATOM 0 H ILE A 29 -6.335 2.014 5.772 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.615 4.729 5.575 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.292 2.897 3.817 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.116 3.352 2.374 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.407 3.739 3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.053 4.598 2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.984 5.216 3.435 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.286 5.700 3.218 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.007 1.399 3.342 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.039 1.513 4.787 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.760 1.120 3.208 1.00 0.00 H new ATOM 408 N GLY A 30 -8.841 4.076 5.959 1.00 0.00 N ATOM 409 CA GLY A 30 -10.107 4.681 6.329 1.00 0.00 C ATOM 410 C GLY A 30 -10.018 5.462 7.626 1.00 0.00 C ATOM 411 O GLY A 30 -10.507 6.588 7.714 1.00 0.00 O ATOM 0 H GLY A 30 -8.871 3.065 5.828 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.436 5.345 5.530 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.863 3.902 6.428 1.00 0.00 H new ATOM 415 N GLN A 31 -9.394 4.862 8.635 1.00 0.00 N ATOM 416 CA GLN A 31 -9.246 5.508 9.934 1.00 0.00 C ATOM 417 C GLN A 31 -8.216 6.631 9.869 1.00 0.00 C ATOM 418 O GLN A 31 -8.397 7.689 10.471 1.00 0.00 O ATOM 419 CB GLN A 31 -8.835 4.483 10.992 1.00 0.00 C ATOM 420 CG GLN A 31 -10.012 3.870 11.734 1.00 0.00 C ATOM 421 CD GLN A 31 -10.389 4.650 12.978 1.00 0.00 C ATOM 422 OE1 GLN A 31 -9.567 5.368 13.547 1.00 0.00 O ATOM 423 NE2 GLN A 31 -11.639 4.513 13.405 1.00 0.00 N ATOM 0 H GLN A 31 -8.983 3.930 8.578 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.209 5.939 10.210 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.264 3.688 10.513 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.172 4.962 11.712 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.872 3.821 11.066 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.767 2.845 12.013 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.286 3.907 12.901 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.952 5.014 14.237 1.00 0.00 H new ATOM 430 N ALA A 32 -7.134 6.392 9.134 1.00 0.00 N ATOM 431 CA ALA A 32 -6.075 7.385 8.989 1.00 0.00 C ATOM 432 C ALA A 32 -6.606 8.665 8.355 1.00 0.00 C ATOM 433 O ALA A 32 -6.076 9.751 8.591 1.00 0.00 O ATOM 434 CB ALA A 32 -4.931 6.818 8.162 1.00 0.00 C ATOM 0 H ALA A 32 -6.968 5.521 8.630 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.703 7.632 9.983 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.148 7.569 8.061 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.526 5.936 8.658 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.298 6.542 7.173 1.00 0.00 H new ATOM 440 N GLU A 33 -7.655 8.530 7.549 1.00 0.00 N ATOM 441 CA GLU A 33 -8.255 9.678 6.879 1.00 0.00 C ATOM 442 C GLU A 33 -8.762 10.697 7.896 1.00 0.00 C ATOM 443 O GLU A 33 -8.748 11.902 7.642 1.00 0.00 O ATOM 444 CB GLU A 33 -9.406 9.226 5.977 1.00 0.00 C ATOM 445 CG GLU A 33 -9.797 10.254 4.929 1.00 0.00 C ATOM 446 CD GLU A 33 -10.801 9.714 3.929 1.00 0.00 C ATOM 447 OE1 GLU A 33 -10.951 8.477 3.847 1.00 0.00 O ATOM 448 OE2 GLU A 33 -11.436 10.529 3.227 1.00 0.00 O ATOM 0 H GLU A 33 -8.106 7.638 7.345 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.487 10.151 6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.123 8.300 5.477 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.275 9.002 6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.217 11.130 5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.904 10.585 4.399 1.00 0.00 H new ATOM 658 N PHE A 51 -3.240 20.674 -0.631 1.00 0.00 N ATOM 659 CA PHE A 51 -3.615 19.377 -0.080 1.00 0.00 C ATOM 660 C PHE A 51 -4.359 18.541 -1.117 1.00 0.00 C ATOM 661 O PHE A 51 -4.226 17.317 -1.153 1.00 0.00 O ATOM 662 CB PHE A 51 -4.484 19.559 1.164 1.00 0.00 C ATOM 663 CG PHE A 51 -5.013 18.267 1.721 1.00 0.00 C ATOM 664 CD1 PHE A 51 -6.193 17.723 1.242 1.00 0.00 C ATOM 665 CD2 PHE A 51 -4.328 17.597 2.723 1.00 0.00 C ATOM 666 CE1 PHE A 51 -6.682 16.535 1.754 1.00 0.00 C ATOM 667 CE2 PHE A 51 -4.812 16.409 3.236 1.00 0.00 C ATOM 668 CZ PHE A 51 -5.990 15.877 2.750 1.00 0.00 C ATOM 0 HA PHE A 51 -2.702 18.851 0.198 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.901 20.065 1.933 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.323 20.210 0.919 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.737 18.232 0.460 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.406 18.008 3.107 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.605 16.122 1.374 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.269 15.897 4.017 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.369 14.948 3.149 1.00 0.00 H new ATOM 677 N GLN A 52 -5.142 19.209 -1.957 1.00 0.00 N ATOM 678 CA GLN A 52 -5.909 18.528 -2.993 1.00 0.00 C ATOM 679 C GLN A 52 -5.003 17.661 -3.860 1.00 0.00 C ATOM 680 O GLN A 52 -5.253 16.470 -4.039 1.00 0.00 O ATOM 681 CB GLN A 52 -6.646 19.548 -3.865 1.00 0.00 C ATOM 682 CG GLN A 52 -7.469 18.915 -4.975 1.00 0.00 C ATOM 683 CD GLN A 52 -8.934 18.780 -4.610 1.00 0.00 C ATOM 684 OE1 GLN A 52 -9.599 19.764 -4.287 1.00 0.00 O ATOM 685 NE2 GLN A 52 -9.447 17.555 -4.658 1.00 0.00 N ATOM 0 H GLN A 52 -5.262 20.222 -1.941 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.639 17.883 -2.504 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.302 20.147 -3.234 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.919 20.230 -4.306 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.378 19.517 -5.879 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.064 17.930 -5.206 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.860 16.767 -4.931 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.428 17.403 -4.422 1.00 0.00 H new ATOM 692 N ALA A 53 -3.948 18.267 -4.395 1.00 0.00 N ATOM 693 CA ALA A 53 -3.003 17.549 -5.242 1.00 0.00 C ATOM 694 C ALA A 53 -2.515 16.274 -4.562 1.00 0.00 C ATOM 695 O ALA A 53 -2.592 15.187 -5.133 1.00 0.00 O ATOM 696 CB ALA A 53 -1.824 18.445 -5.595 1.00 0.00 C ATOM 0 H ALA A 53 -3.726 19.253 -4.257 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.518 17.266 -6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.126 17.896 -6.228 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.183 19.325 -6.129 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.317 18.756 -4.682 1.00 0.00 H new ATOM 702 N ALA A 54 -2.012 16.416 -3.339 1.00 0.00 N ATOM 703 CA ALA A 54 -1.514 15.275 -2.582 1.00 0.00 C ATOM 704 C ALA A 54 -2.626 14.269 -2.308 1.00 0.00 C ATOM 705 O ALA A 54 -2.392 13.060 -2.286 1.00 0.00 O ATOM 706 CB ALA A 54 -0.888 15.742 -1.277 1.00 0.00 C ATOM 0 H ALA A 54 -1.939 17.310 -2.853 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.751 14.778 -3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.520 14.880 -0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.059 16.416 -1.492 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.636 16.265 -0.681 1.00 0.00 H new ATOM 712 N HIS A 55 -3.838 14.775 -2.100 1.00 0.00 N ATOM 713 CA HIS A 55 -4.987 13.920 -1.827 1.00 0.00 C ATOM 714 C HIS A 55 -5.303 13.035 -3.029 1.00 0.00 C ATOM 715 O HIS A 55 -5.710 11.884 -2.874 1.00 0.00 O ATOM 716 CB HIS A 55 -6.208 14.769 -1.469 1.00 0.00 C ATOM 717 CG HIS A 55 -7.478 13.982 -1.374 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.049 13.616 -0.174 1.00 0.00 N ATOM 719 CD2 HIS A 55 -8.289 13.490 -2.341 1.00 0.00 C ATOM 720 CE1 HIS A 55 -9.156 12.933 -0.405 1.00 0.00 C ATOM 721 NE2 HIS A 55 -9.324 12.843 -1.713 1.00 0.00 N ATOM 0 H HIS A 55 -4.049 15.773 -2.115 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.739 13.279 -0.981 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.027 15.267 -0.517 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.330 15.550 -2.219 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.148 13.588 -3.407 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.812 12.519 0.347 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.097 12.370 -2.180 1.00 0.00 H new ATOM 728 N ALA A 56 -5.114 13.581 -4.226 1.00 0.00 N ATOM 729 CA ALA A 56 -5.377 12.840 -5.453 1.00 0.00 C ATOM 730 C ALA A 56 -4.336 11.747 -5.668 1.00 0.00 C ATOM 731 O ALA A 56 -4.630 10.704 -6.255 1.00 0.00 O ATOM 732 CB ALA A 56 -5.405 13.787 -6.645 1.00 0.00 C ATOM 0 H ALA A 56 -4.780 14.534 -4.372 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.352 12.363 -5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.602 13.221 -7.555 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.191 14.529 -6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.442 14.290 -6.733 1.00 0.00 H new ATOM 738 N ARG A 57 -3.120 11.991 -5.192 1.00 0.00 N ATOM 739 CA ARG A 57 -2.035 11.027 -5.335 1.00 0.00 C ATOM 740 C ARG A 57 -2.291 9.791 -4.477 1.00 0.00 C ATOM 741 O ARG A 57 -1.905 8.680 -4.842 1.00 0.00 O ATOM 742 CB ARG A 57 -0.702 11.667 -4.942 1.00 0.00 C ATOM 743 CG ARG A 57 -0.272 12.794 -5.868 1.00 0.00 C ATOM 744 CD ARG A 57 0.965 13.505 -5.340 1.00 0.00 C ATOM 745 NE ARG A 57 1.820 13.989 -6.421 1.00 0.00 N ATOM 746 CZ ARG A 57 2.574 13.193 -7.173 1.00 0.00 C ATOM 747 NH1 ARG A 57 2.578 11.885 -6.962 1.00 0.00 N ATOM 748 NH2 ARG A 57 3.326 13.709 -8.137 1.00 0.00 N ATOM 0 H ARG A 57 -2.861 12.848 -4.704 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.989 10.720 -6.380 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.779 12.053 -3.925 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.072 10.899 -4.934 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.067 12.393 -6.861 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.087 13.510 -5.975 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.662 14.344 -4.714 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.532 12.823 -4.706 1.00 0.00 H new ATOM 0 HE ARG A 57 1.840 14.991 -6.609 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.002 11.486 -6.221 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.157 11.277 -7.541 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.325 14.716 -8.301 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.905 13.099 -8.714 1.00 0.00 H new ATOM 759 N PHE A 58 -2.942 9.992 -3.337 1.00 0.00 N ATOM 760 CA PHE A 58 -3.247 8.894 -2.427 1.00 0.00 C ATOM 761 C PHE A 58 -4.369 8.022 -2.983 1.00 0.00 C ATOM 762 O PHE A 58 -4.222 6.807 -3.110 1.00 0.00 O ATOM 763 CB PHE A 58 -3.642 9.438 -1.052 1.00 0.00 C ATOM 764 CG PHE A 58 -3.872 8.366 -0.026 1.00 0.00 C ATOM 765 CD1 PHE A 58 -5.069 7.669 0.011 1.00 0.00 C ATOM 766 CD2 PHE A 58 -2.891 8.054 0.901 1.00 0.00 C ATOM 767 CE1 PHE A 58 -5.284 6.680 0.953 1.00 0.00 C ATOM 768 CE2 PHE A 58 -3.099 7.066 1.845 1.00 0.00 C ATOM 769 CZ PHE A 58 -4.298 6.379 1.873 1.00 0.00 C ATOM 0 H PHE A 58 -3.269 10.905 -3.021 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.352 8.281 -2.324 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.859 10.108 -0.697 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.549 10.034 -1.153 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.844 7.901 -0.705 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.953 8.589 0.886 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.221 6.144 0.970 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.325 6.831 2.560 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.464 5.609 2.612 1.00 0.00 H new ATOM 778 N VAL A 59 -5.492 8.653 -3.313 1.00 0.00 N ATOM 779 CA VAL A 59 -6.640 7.937 -3.856 1.00 0.00 C ATOM 780 C VAL A 59 -6.239 7.086 -5.056 1.00 0.00 C ATOM 781 O VAL A 59 -6.809 6.022 -5.294 1.00 0.00 O ATOM 782 CB VAL A 59 -7.759 8.908 -4.280 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.204 10.000 -5.182 1.00 0.00 C ATOM 784 CG2 VAL A 59 -8.885 8.153 -4.970 1.00 0.00 C ATOM 0 H VAL A 59 -5.631 9.659 -3.214 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.013 7.289 -3.063 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.165 9.381 -3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.008 10.676 -5.472 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.435 10.558 -4.647 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.770 9.549 -6.074 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.667 8.854 -5.263 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.497 7.651 -5.856 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.299 7.412 -4.286 1.00 0.00 H new ATOM 794 N ALA A 60 -5.255 7.564 -5.810 1.00 0.00 N ATOM 795 CA ALA A 60 -4.775 6.846 -6.985 1.00 0.00 C ATOM 796 C ALA A 60 -3.975 5.611 -6.585 1.00 0.00 C ATOM 797 O ALA A 60 -4.005 4.591 -7.273 1.00 0.00 O ATOM 798 CB ALA A 60 -3.931 7.764 -7.856 1.00 0.00 C ATOM 0 H ALA A 60 -4.774 8.445 -5.629 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.642 6.516 -7.557 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.579 7.215 -8.729 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.533 8.613 -8.179 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.075 8.123 -7.284 1.00 0.00 H new ATOM 804 N ALA A 61 -3.259 5.711 -5.470 1.00 0.00 N ATOM 805 CA ALA A 61 -2.452 4.601 -4.978 1.00 0.00 C ATOM 806 C ALA A 61 -3.315 3.572 -4.256 1.00 0.00 C ATOM 807 O ALA A 61 -3.162 2.368 -4.458 1.00 0.00 O ATOM 808 CB ALA A 61 -1.356 5.114 -4.055 1.00 0.00 C ATOM 0 H ALA A 61 -3.221 6.549 -4.890 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.991 4.112 -5.836 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.761 4.275 -3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.715 5.806 -4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.806 5.630 -3.207 1.00 0.00 H new ATOM 814 N ALA A 62 -4.223 4.055 -3.413 1.00 0.00 N ATOM 815 CA ALA A 62 -5.111 3.176 -2.662 1.00 0.00 C ATOM 816 C ALA A 62 -5.812 2.185 -3.585 1.00 0.00 C ATOM 817 O ALA A 62 -5.894 0.994 -3.285 1.00 0.00 O ATOM 818 CB ALA A 62 -6.135 3.996 -1.890 1.00 0.00 C ATOM 0 H ALA A 62 -4.362 5.049 -3.233 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.507 2.608 -1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.792 3.327 -1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.620 4.660 -1.195 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.727 4.589 -2.587 1.00 0.00 H new ATOM 824 N ALA A 63 -6.317 2.685 -4.709 1.00 0.00 N ATOM 825 CA ALA A 63 -7.010 1.842 -5.675 1.00 0.00 C ATOM 826 C ALA A 63 -6.122 0.691 -6.137 1.00 0.00 C ATOM 827 O ALA A 63 -6.585 -0.438 -6.298 1.00 0.00 O ATOM 828 CB ALA A 63 -7.463 2.670 -6.868 1.00 0.00 C ATOM 0 H ALA A 63 -6.259 3.669 -4.972 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.886 1.417 -5.186 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.979 2.028 -7.582 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.140 3.455 -6.530 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.595 3.122 -7.348 1.00 0.00 H new ATOM 834 N LYS A 64 -4.843 0.984 -6.346 1.00 0.00 N ATOM 835 CA LYS A 64 -3.889 -0.026 -6.789 1.00 0.00 C ATOM 836 C LYS A 64 -3.724 -1.117 -5.735 1.00 0.00 C ATOM 837 O LYS A 64 -3.749 -2.307 -6.050 1.00 0.00 O ATOM 838 CB LYS A 64 -2.533 0.619 -7.085 1.00 0.00 C ATOM 839 CG LYS A 64 -1.410 -0.387 -7.273 1.00 0.00 C ATOM 840 CD LYS A 64 -1.742 -1.399 -8.356 1.00 0.00 C ATOM 841 CE LYS A 64 -0.564 -1.621 -9.292 1.00 0.00 C ATOM 842 NZ LYS A 64 -0.179 -0.370 -10.004 1.00 0.00 N ATOM 0 H LYS A 64 -4.443 1.913 -6.216 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.276 -0.480 -7.701 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.618 1.228 -7.985 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.274 1.292 -6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.491 0.137 -7.534 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.225 -0.907 -6.333 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.026 -2.346 -7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.602 -1.052 -8.928 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.288 -1.992 -8.722 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.819 -2.390 -10.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.283 -0.611 -10.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.030 0.198 -10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.479 0.178 -9.413 1.00 0.00 H new ATOM 852 N VAL A 65 -3.559 -0.705 -4.482 1.00 0.00 N ATOM 853 CA VAL A 65 -3.394 -1.647 -3.383 1.00 0.00 C ATOM 854 C VAL A 65 -4.630 -2.522 -3.218 1.00 0.00 C ATOM 855 O VAL A 65 -4.527 -3.737 -3.055 1.00 0.00 O ATOM 856 CB VAL A 65 -3.114 -0.917 -2.055 1.00 0.00 C ATOM 857 CG1 VAL A 65 -2.747 -1.912 -0.965 1.00 0.00 C ATOM 858 CG2 VAL A 65 -2.013 0.117 -2.238 1.00 0.00 C ATOM 0 H VAL A 65 -3.536 0.276 -4.203 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.539 -2.275 -3.631 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.022 -0.397 -1.748 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.553 -1.378 -0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.571 -2.610 -0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.854 -2.462 -1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.828 0.623 -1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.100 -0.378 -2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.321 0.848 -2.986 1.00 0.00 H new ATOM 868 N ASN A 66 -5.802 -1.895 -3.261 1.00 0.00 N ATOM 869 CA ASN A 66 -7.061 -2.617 -3.116 1.00 0.00 C ATOM 870 C ASN A 66 -7.212 -3.671 -4.208 1.00 0.00 C ATOM 871 O ASN A 66 -7.526 -4.830 -3.931 1.00 0.00 O ATOM 872 CB ASN A 66 -8.240 -1.643 -3.165 1.00 0.00 C ATOM 873 CG ASN A 66 -9.511 -2.299 -3.670 1.00 0.00 C ATOM 874 OD1 ASN A 66 -10.316 -2.803 -2.887 1.00 0.00 O ATOM 875 ND2 ASN A 66 -9.696 -2.294 -4.984 1.00 0.00 N ATOM 0 H ASN A 66 -5.906 -0.889 -3.395 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.054 -3.120 -2.149 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.415 -1.238 -2.168 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.987 -0.802 -3.811 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.533 -2.720 -5.383 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.002 -1.864 -5.595 1.00 0.00 H new ATOM 881 N THR A 67 -6.986 -3.262 -5.454 1.00 0.00 N ATOM 882 CA THR A 67 -7.097 -4.170 -6.589 1.00 0.00 C ATOM 883 C THR A 67 -6.208 -5.394 -6.402 1.00 0.00 C ATOM 884 O THR A 67 -6.656 -6.530 -6.561 1.00 0.00 O ATOM 885 CB THR A 67 -6.719 -3.470 -7.906 1.00 0.00 C ATOM 886 OG1 THR A 67 -7.617 -2.383 -8.160 1.00 0.00 O ATOM 887 CG2 THR A 67 -6.760 -4.449 -9.071 1.00 0.00 C ATOM 0 H THR A 67 -6.725 -2.308 -5.702 1.00 0.00 H new ATOM 0 HA THR A 67 -8.139 -4.486 -6.641 1.00 0.00 H new ATOM 0 HB THR A 67 -5.703 -3.087 -7.808 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.386 -1.626 -7.582 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.489 -3.931 -9.991 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.055 -5.260 -8.890 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.766 -4.858 -9.167 1.00 0.00 H new ATOM 895 N LEU A 68 -4.945 -5.155 -6.064 1.00 0.00 N ATOM 896 CA LEU A 68 -3.992 -6.240 -5.856 1.00 0.00 C ATOM 897 C LEU A 68 -4.446 -7.154 -4.722 1.00 0.00 C ATOM 898 O LEU A 68 -4.140 -8.347 -4.711 1.00 0.00 O ATOM 899 CB LEU A 68 -2.605 -5.673 -5.546 1.00 0.00 C ATOM 900 CG LEU A 68 -1.930 -4.895 -6.676 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.647 -4.242 -6.183 1.00 0.00 C ATOM 902 CD2 LEU A 68 -1.646 -5.809 -7.858 1.00 0.00 C ATOM 0 H LEU A 68 -4.558 -4.221 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.941 -6.828 -6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.688 -5.017 -4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.953 -6.498 -5.260 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.609 -4.109 -7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.181 -3.693 -7.001 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.878 -3.554 -5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.038 -5.010 -5.825 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.166 -5.238 -8.652 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.986 -6.617 -7.543 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.582 -6.228 -8.227 1.00 0.00 H new ATOM 913 N LEU A 69 -5.178 -6.587 -3.770 1.00 0.00 N ATOM 914 CA LEU A 69 -5.677 -7.351 -2.631 1.00 0.00 C ATOM 915 C LEU A 69 -6.683 -8.406 -3.082 1.00 0.00 C ATOM 916 O LEU A 69 -6.645 -9.549 -2.626 1.00 0.00 O ATOM 917 CB LEU A 69 -6.326 -6.416 -1.609 1.00 0.00 C ATOM 918 CG LEU A 69 -5.619 -6.306 -0.258 1.00 0.00 C ATOM 919 CD1 LEU A 69 -6.408 -5.411 0.686 1.00 0.00 C ATOM 920 CD2 LEU A 69 -5.420 -7.685 0.354 1.00 0.00 C ATOM 0 H LEU A 69 -5.440 -5.601 -3.764 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.831 -7.857 -2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.389 -5.419 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.348 -6.753 -1.436 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.639 -5.857 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.890 -5.344 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.499 -4.415 0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.402 -5.831 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.915 -7.587 1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.389 -8.162 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.813 -8.295 -0.314 1.00 0.00 H new ATOM 931 N ASP A 70 -7.579 -8.015 -3.982 1.00 0.00 N ATOM 932 CA ASP A 70 -8.592 -8.928 -4.497 1.00 0.00 C ATOM 933 C ASP A 70 -7.980 -9.923 -5.478 1.00 0.00 C ATOM 934 O ASP A 70 -8.425 -11.066 -5.578 1.00 0.00 O ATOM 935 CB ASP A 70 -9.715 -8.144 -5.179 1.00 0.00 C ATOM 936 CG ASP A 70 -11.035 -8.891 -5.162 1.00 0.00 C ATOM 937 OD1 ASP A 70 -11.367 -9.484 -4.115 1.00 0.00 O ATOM 938 OD2 ASP A 70 -11.735 -8.882 -6.196 1.00 0.00 O ATOM 0 H ASP A 70 -7.624 -7.073 -4.369 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.006 -9.484 -3.656 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.838 -7.183 -4.680 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.433 -7.934 -6.211 1.00 0.00 H new ATOM 942 N VAL A 71 -6.957 -9.479 -6.201 1.00 0.00 N ATOM 943 CA VAL A 71 -6.283 -10.329 -7.174 1.00 0.00 C ATOM 944 C VAL A 71 -5.511 -11.449 -6.485 1.00 0.00 C ATOM 945 O VAL A 71 -5.420 -12.563 -6.999 1.00 0.00 O ATOM 946 CB VAL A 71 -5.314 -9.518 -8.053 1.00 0.00 C ATOM 947 CG1 VAL A 71 -4.655 -10.413 -9.091 1.00 0.00 C ATOM 948 CG2 VAL A 71 -6.042 -8.361 -8.721 1.00 0.00 C ATOM 0 H VAL A 71 -6.577 -8.535 -6.131 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.059 -10.762 -7.806 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.532 -9.107 -7.415 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.974 -9.821 -9.702 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.098 -11.204 -8.589 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.421 -10.857 -9.727 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.342 -7.798 -9.338 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.846 -8.749 -9.346 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.460 -7.705 -7.958 1.00 0.00 H new ATOM 958 N ALA A 72 -4.955 -11.144 -5.317 1.00 0.00 N ATOM 959 CA ALA A 72 -4.191 -12.125 -4.555 1.00 0.00 C ATOM 960 C ALA A 72 -5.035 -13.356 -4.246 1.00 0.00 C ATOM 961 O ALA A 72 -4.610 -14.486 -4.485 1.00 0.00 O ATOM 962 CB ALA A 72 -3.670 -11.503 -3.268 1.00 0.00 C ATOM 0 H ALA A 72 -5.019 -10.226 -4.878 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.343 -12.441 -5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.102 -12.246 -2.709 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.025 -10.658 -3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.510 -11.159 -2.664 1.00 0.00 H new ATOM 968 N GLN A 73 -6.231 -13.130 -3.712 1.00 0.00 N ATOM 969 CA GLN A 73 -7.133 -14.224 -3.369 1.00 0.00 C ATOM 970 C GLN A 73 -7.521 -15.019 -4.611 1.00 0.00 C ATOM 971 O GLN A 73 -7.726 -16.231 -4.546 1.00 0.00 O ATOM 972 CB GLN A 73 -8.389 -13.681 -2.684 1.00 0.00 C ATOM 973 CG GLN A 73 -8.095 -12.659 -1.597 1.00 0.00 C ATOM 974 CD GLN A 73 -9.327 -12.291 -0.794 1.00 0.00 C ATOM 975 OE1 GLN A 73 -10.453 -12.387 -1.283 1.00 0.00 O ATOM 976 NE2 GLN A 73 -9.120 -11.867 0.447 1.00 0.00 N ATOM 0 H GLN A 73 -6.598 -12.200 -3.508 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.611 -14.890 -2.682 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.034 -13.225 -3.435 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.944 -14.512 -2.249 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.334 -13.057 -0.926 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.680 -11.759 -2.052 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.170 -11.803 0.812 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.911 -11.606 1.035 1.00 0.00 H new ATOM 983 N ALA A 74 -7.622 -14.329 -5.743 1.00 0.00 N ATOM 984 CA ALA A 74 -7.983 -14.972 -7.000 1.00 0.00 C ATOM 985 C ALA A 74 -6.923 -15.981 -7.426 1.00 0.00 C ATOM 986 O ALA A 74 -7.236 -17.128 -7.742 1.00 0.00 O ATOM 987 CB ALA A 74 -8.187 -13.926 -8.087 1.00 0.00 C ATOM 0 H ALA A 74 -7.459 -13.325 -5.815 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.918 -15.511 -6.849 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.456 -14.419 -9.021 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.986 -13.246 -7.792 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.265 -13.362 -8.227 1.00 0.00 H new ATOM 993 N ASN A 75 -5.667 -15.545 -7.433 1.00 0.00 N ATOM 994 CA ASN A 75 -4.560 -16.411 -7.823 1.00 0.00 C ATOM 995 C ASN A 75 -4.326 -17.497 -6.777 1.00 0.00 C ATOM 996 O ASN A 75 -3.988 -18.633 -7.111 1.00 0.00 O ATOM 997 CB ASN A 75 -3.284 -15.588 -8.014 1.00 0.00 C ATOM 998 CG ASN A 75 -3.393 -14.614 -9.170 1.00 0.00 C ATOM 999 OD1 ASN A 75 -3.352 -15.008 -10.335 1.00 0.00 O ATOM 1000 ND2 ASN A 75 -3.533 -13.332 -8.852 1.00 0.00 N ATOM 0 H ASN A 75 -5.391 -14.598 -7.173 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.820 -16.890 -8.767 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.069 -15.038 -7.098 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.444 -16.260 -8.187 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -3.611 -12.630 -9.588 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.562 -13.050 -7.872 1.00 0.00 H new ATOM 1006 N LEU A 76 -4.510 -17.142 -5.510 1.00 0.00 N ATOM 1007 CA LEU A 76 -4.320 -18.085 -4.415 1.00 0.00 C ATOM 1008 C LEU A 76 -5.428 -19.134 -4.401 1.00 0.00 C ATOM 1009 O LEU A 76 -5.202 -20.287 -4.037 1.00 0.00 O ATOM 1010 CB LEU A 76 -4.287 -17.345 -3.077 1.00 0.00 C ATOM 1011 CG LEU A 76 -3.025 -16.528 -2.794 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -3.099 -15.893 -1.414 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -1.785 -17.403 -2.914 1.00 0.00 C ATOM 0 H LEU A 76 -4.791 -16.207 -5.216 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.367 -18.591 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.146 -16.676 -3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.410 -18.075 -2.277 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.957 -15.732 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.193 -15.316 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.966 -15.234 -1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.192 -16.674 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.897 -16.805 -2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.846 -18.220 -2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.724 -17.811 -3.923 1.00 0.00 H new ATOM 1024 N GLY A 77 -6.629 -18.724 -4.801 1.00 0.00 N ATOM 1025 CA GLY A 77 -7.753 -19.641 -4.829 1.00 0.00 C ATOM 1026 C GLY A 77 -8.331 -19.891 -3.450 1.00 0.00 C ATOM 1027 O GLY A 77 -9.507 -19.625 -3.205 1.00 0.00 O ATOM 0 H GLY A 77 -6.843 -17.774 -5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.531 -19.238 -5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.434 -20.589 -5.263 1.00 0.00 H new ATOM 1031 N GLU A 78 -7.502 -20.407 -2.548 1.00 0.00 N ATOM 1032 CA GLU A 78 -7.939 -20.696 -1.186 1.00 0.00 C ATOM 1033 C GLU A 78 -8.614 -19.478 -0.562 1.00 0.00 C ATOM 1034 O GLU A 78 -9.735 -19.564 -0.063 1.00 0.00 O ATOM 1035 CB GLU A 78 -6.751 -21.132 -0.327 1.00 0.00 C ATOM 1036 CG GLU A 78 -6.446 -22.617 -0.420 1.00 0.00 C ATOM 1037 CD GLU A 78 -6.628 -23.334 0.904 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -7.781 -23.686 1.233 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -5.621 -23.542 1.612 1.00 0.00 O ATOM 0 H GLU A 78 -6.525 -20.633 -2.735 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.664 -21.509 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.868 -20.569 -0.630 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.952 -20.875 0.713 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.096 -23.072 -1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.421 -22.753 -0.765 1.00 0.00 H new ATOM 1044 N ALA A 79 -7.920 -18.345 -0.591 1.00 0.00 N ATOM 1045 CA ALA A 79 -8.452 -17.109 -0.029 1.00 0.00 C ATOM 1046 C ALA A 79 -9.845 -16.814 -0.573 1.00 0.00 C ATOM 1047 O ALA A 79 -10.786 -16.594 0.189 1.00 0.00 O ATOM 1048 CB ALA A 79 -7.511 -15.949 -0.323 1.00 0.00 C ATOM 0 H ALA A 79 -6.989 -18.257 -0.997 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.532 -17.234 1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.920 -15.032 0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.536 -16.151 0.120 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.403 -15.832 -1.401 1.00 0.00 H new ATOM 1533 N ALA B 620 3.360 11.275 10.705 1.00 0.00 N ATOM 1534 CA ALA B 620 4.340 10.371 10.117 1.00 0.00 C ATOM 1535 C ALA B 620 4.183 8.957 10.667 1.00 0.00 C ATOM 1536 O ALA B 620 4.398 7.975 9.957 1.00 0.00 O ATOM 1537 CB ALA B 620 5.750 10.883 10.370 1.00 0.00 C ATOM 0 HA ALA B 620 4.165 10.336 9.042 1.00 0.00 H new ATOM 0 HB1 ALA B 620 6.471 10.198 9.925 1.00 0.00 H new ATOM 0 HB2 ALA B 620 5.864 11.870 9.923 1.00 0.00 H new ATOM 0 HB3 ALA B 620 5.926 10.948 11.444 1.00 0.00 H new ATOM 1543 N GLY B 621 3.808 8.861 11.940 1.00 0.00 N ATOM 1544 CA GLY B 621 3.628 7.563 12.564 1.00 0.00 C ATOM 1545 C GLY B 621 2.534 6.748 11.905 1.00 0.00 C ATOM 1546 O GLY B 621 2.661 5.533 11.754 1.00 0.00 O ATOM 0 H GLY B 621 3.626 9.659 12.549 1.00 0.00 H new ATOM 0 HA2 GLY B 621 4.566 7.009 12.520 1.00 0.00 H new ATOM 0 HA3 GLY B 621 3.389 7.701 13.618 1.00 0.00 H new ATOM 1550 N TYR B 622 1.455 7.417 11.514 1.00 0.00 N ATOM 1551 CA TYR B 622 0.331 6.746 10.871 1.00 0.00 C ATOM 1552 C TYR B 622 0.758 6.114 9.550 1.00 0.00 C ATOM 1553 O TYR B 622 0.450 4.954 9.277 1.00 0.00 O ATOM 1554 CB TYR B 622 -0.811 7.734 10.632 1.00 0.00 C ATOM 1555 CG TYR B 622 -1.864 7.719 11.716 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -2.757 6.660 11.829 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -1.966 8.762 12.629 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -3.721 6.642 12.818 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -2.926 8.751 13.622 1.00 0.00 C ATOM 1560 CZ TYR B 622 -3.802 7.689 13.712 1.00 0.00 C ATOM 1561 OH TYR B 622 -4.760 7.674 14.700 1.00 0.00 O ATOM 0 H TYR B 622 1.335 8.423 11.631 1.00 0.00 H new ATOM 0 HA TYR B 622 -0.016 5.955 11.536 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -0.399 8.740 10.552 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -1.283 7.506 9.676 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -2.696 5.837 11.132 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -1.283 9.596 12.561 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -4.408 5.812 12.891 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -2.991 9.569 14.324 1.00 0.00 H new ATOM 0 HH TYR B 622 -4.680 8.484 15.245 1.00 0.00 H new ATOM 1570 N ALA B 623 1.469 6.885 8.735 1.00 0.00 N ATOM 1571 CA ALA B 623 1.941 6.402 7.443 1.00 0.00 C ATOM 1572 C ALA B 623 2.683 5.077 7.591 1.00 0.00 C ATOM 1573 O ALA B 623 2.496 4.159 6.793 1.00 0.00 O ATOM 1574 CB ALA B 623 2.837 7.441 6.786 1.00 0.00 C ATOM 0 H ALA B 623 1.731 7.848 8.946 1.00 0.00 H new ATOM 0 HA ALA B 623 1.073 6.233 6.806 1.00 0.00 H new ATOM 0 HB1 ALA B 623 3.182 7.067 5.822 1.00 0.00 H new ATOM 0 HB2 ALA B 623 2.276 8.364 6.637 1.00 0.00 H new ATOM 0 HB3 ALA B 623 3.696 7.638 7.427 1.00 0.00 H new ATOM 1580 N GLY B 624 3.524 4.987 8.616 1.00 0.00 N ATOM 1581 CA GLY B 624 4.282 3.771 8.848 1.00 0.00 C ATOM 1582 C GLY B 624 3.391 2.576 9.124 1.00 0.00 C ATOM 1583 O GLY B 624 3.769 1.434 8.861 1.00 0.00 O ATOM 0 H GLY B 624 3.694 5.734 9.290 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.904 3.563 7.978 1.00 0.00 H new ATOM 0 HA3 GLY B 624 4.955 3.921 9.692 1.00 0.00 H new ATOM 1587 N THR B 625 2.201 2.837 9.659 1.00 0.00 N ATOM 1588 CA THR B 625 1.255 1.775 9.973 1.00 0.00 C ATOM 1589 C THR B 625 0.848 1.011 8.719 1.00 0.00 C ATOM 1590 O THR B 625 0.609 -0.197 8.764 1.00 0.00 O ATOM 1591 CB THR B 625 -0.010 2.333 10.653 1.00 0.00 C ATOM 1592 OG1 THR B 625 0.351 3.086 11.816 1.00 0.00 O ATOM 1593 CG2 THR B 625 -0.954 1.207 11.045 1.00 0.00 C ATOM 0 H THR B 625 1.871 3.776 9.883 1.00 0.00 H new ATOM 0 HA THR B 625 1.760 1.096 10.660 1.00 0.00 H new ATOM 0 HB THR B 625 -0.521 2.984 9.943 1.00 0.00 H new ATOM 0 HG1 THR B 625 -0.458 3.439 12.242 1.00 0.00 H new ATOM 0 HG21 THR B 625 -1.840 1.625 11.523 1.00 0.00 H new ATOM 0 HG22 THR B 625 -1.250 0.653 10.154 1.00 0.00 H new ATOM 0 HG23 THR B 625 -0.450 0.535 11.739 1.00 0.00 H new ATOM 1601 N LEU B 626 0.773 1.721 7.598 1.00 0.00 N ATOM 1602 CA LEU B 626 0.396 1.109 6.329 1.00 0.00 C ATOM 1603 C LEU B 626 1.467 0.131 5.857 1.00 0.00 C ATOM 1604 O LEU B 626 1.163 -0.995 5.464 1.00 0.00 O ATOM 1605 CB LEU B 626 0.170 2.187 5.268 1.00 0.00 C ATOM 1606 CG LEU B 626 -1.125 2.989 5.391 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -2.327 2.059 5.440 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -1.086 3.878 6.627 1.00 0.00 C ATOM 0 H LEU B 626 0.968 2.721 7.543 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.532 0.557 6.481 1.00 0.00 H new ATOM 0 HB2 LEU B 626 1.009 2.882 5.301 1.00 0.00 H new ATOM 0 HB3 LEU B 626 0.188 1.712 4.287 1.00 0.00 H new ATOM 0 HG LEU B 626 -1.220 3.626 4.512 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -3.240 2.648 5.528 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -2.365 1.465 4.527 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -2.239 1.396 6.301 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -2.016 4.442 6.699 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -0.967 3.259 7.517 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -0.247 4.570 6.551 1.00 0.00 H new ATOM 1619 N GLN B 627 2.721 0.568 5.901 1.00 0.00 N ATOM 1620 CA GLN B 627 3.837 -0.270 5.479 1.00 0.00 C ATOM 1621 C GLN B 627 3.807 -1.617 6.194 1.00 0.00 C ATOM 1622 O GLN B 627 4.027 -2.662 5.580 1.00 0.00 O ATOM 1623 CB GLN B 627 5.166 0.437 5.753 1.00 0.00 C ATOM 1624 CG GLN B 627 6.125 0.407 4.574 1.00 0.00 C ATOM 1625 CD GLN B 627 7.160 -0.694 4.691 1.00 0.00 C ATOM 1626 OE1 GLN B 627 7.616 -1.020 5.788 1.00 0.00 O ATOM 1627 NE2 GLN B 627 7.538 -1.274 3.559 1.00 0.00 N ATOM 0 H GLN B 627 2.990 1.497 6.224 1.00 0.00 H new ATOM 0 HA GLN B 627 3.742 -0.446 4.408 1.00 0.00 H new ATOM 0 HB2 GLN B 627 4.967 1.474 6.023 1.00 0.00 H new ATOM 0 HB3 GLN B 627 5.646 -0.030 6.613 1.00 0.00 H new ATOM 0 HG2 GLN B 627 5.558 0.271 3.653 1.00 0.00 H new ATOM 0 HG3 GLN B 627 6.631 1.369 4.498 1.00 0.00 H new ATOM 0 HE21 GLN B 627 7.134 -0.973 2.672 1.00 0.00 H new ATOM 0 HE22 GLN B 627 8.232 -2.021 3.576 1.00 0.00 H new ATOM 1634 N SER B 628 3.534 -1.586 7.494 1.00 0.00 N ATOM 1635 CA SER B 628 3.480 -2.804 8.294 1.00 0.00 C ATOM 1636 C SER B 628 2.254 -3.636 7.933 1.00 0.00 C ATOM 1637 O SER B 628 2.272 -4.864 8.027 1.00 0.00 O ATOM 1638 CB SER B 628 3.457 -2.460 9.784 1.00 0.00 C ATOM 1639 OG SER B 628 4.026 -3.502 10.557 1.00 0.00 O ATOM 0 H SER B 628 3.347 -0.730 8.016 1.00 0.00 H new ATOM 0 HA SER B 628 4.373 -3.391 8.078 1.00 0.00 H new ATOM 0 HB2 SER B 628 4.007 -1.534 9.955 1.00 0.00 H new ATOM 0 HB3 SER B 628 2.430 -2.285 10.104 1.00 0.00 H new ATOM 0 HG SER B 628 4.001 -3.257 11.506 1.00 0.00 H new ATOM 1644 N LEU B 629 1.188 -2.959 7.520 1.00 0.00 N ATOM 1645 CA LEU B 629 -0.049 -3.635 7.144 1.00 0.00 C ATOM 1646 C LEU B 629 0.106 -4.349 5.806 1.00 0.00 C ATOM 1647 O LEU B 629 -0.177 -5.541 5.690 1.00 0.00 O ATOM 1648 CB LEU B 629 -1.200 -2.629 7.069 1.00 0.00 C ATOM 1649 CG LEU B 629 -2.531 -3.086 7.666 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -2.927 -4.446 7.109 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -2.447 -3.134 9.184 1.00 0.00 C ATOM 0 H LEU B 629 1.155 -1.943 7.437 1.00 0.00 H new ATOM 0 HA LEU B 629 -0.274 -4.380 7.908 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -0.891 -1.716 7.577 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -1.363 -2.372 6.022 1.00 0.00 H new ATOM 0 HG LEU B 629 -3.299 -2.364 7.388 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -3.877 -4.755 7.545 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -3.030 -4.380 6.026 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -2.159 -5.178 7.357 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -3.404 -3.461 9.591 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -1.667 -3.834 9.483 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -2.210 -2.141 9.567 1.00 0.00 H new ATOM 1662 N GLY B 630 0.557 -3.612 4.795 1.00 0.00 N ATOM 1663 CA GLY B 630 0.743 -4.192 3.479 1.00 0.00 C ATOM 1664 C GLY B 630 1.852 -5.225 3.452 1.00 0.00 C ATOM 1665 O GLY B 630 1.724 -6.268 2.810 1.00 0.00 O ATOM 0 H GLY B 630 0.797 -2.623 4.865 1.00 0.00 H new ATOM 0 HA2 GLY B 630 -0.189 -4.655 3.155 1.00 0.00 H new ATOM 0 HA3 GLY B 630 0.971 -3.400 2.765 1.00 0.00 H new ATOM 1669 N ALA B 631 2.945 -4.936 4.150 1.00 0.00 N ATOM 1670 CA ALA B 631 4.081 -5.848 4.204 1.00 0.00 C ATOM 1671 C ALA B 631 3.654 -7.229 4.688 1.00 0.00 C ATOM 1672 O ALA B 631 4.220 -8.242 4.279 1.00 0.00 O ATOM 1673 CB ALA B 631 5.169 -5.284 5.106 1.00 0.00 C ATOM 0 H ALA B 631 3.068 -4.077 4.686 1.00 0.00 H new ATOM 0 HA ALA B 631 4.479 -5.952 3.195 1.00 0.00 H new ATOM 0 HB1 ALA B 631 6.011 -5.976 5.137 1.00 0.00 H new ATOM 0 HB2 ALA B 631 5.503 -4.323 4.716 1.00 0.00 H new ATOM 0 HB3 ALA B 631 4.773 -5.149 6.113 1.00 0.00 H new ATOM 1679 N GLU B 632 2.652 -7.261 5.561 1.00 0.00 N ATOM 1680 CA GLU B 632 2.150 -8.519 6.102 1.00 0.00 C ATOM 1681 C GLU B 632 1.491 -9.356 5.009 1.00 0.00 C ATOM 1682 O GLU B 632 1.526 -10.586 5.049 1.00 0.00 O ATOM 1683 CB GLU B 632 1.152 -8.254 7.229 1.00 0.00 C ATOM 1684 CG GLU B 632 1.781 -8.251 8.612 1.00 0.00 C ATOM 1685 CD GLU B 632 2.534 -9.532 8.913 1.00 0.00 C ATOM 1686 OE1 GLU B 632 1.992 -10.621 8.629 1.00 0.00 O ATOM 1687 OE2 GLU B 632 3.667 -9.446 9.432 1.00 0.00 O ATOM 0 H GLU B 632 2.172 -6.431 5.909 1.00 0.00 H new ATOM 0 HA GLU B 632 2.997 -9.077 6.502 1.00 0.00 H new ATOM 0 HB2 GLU B 632 0.670 -7.292 7.057 1.00 0.00 H new ATOM 0 HB3 GLU B 632 0.370 -9.013 7.196 1.00 0.00 H new ATOM 0 HG2 GLU B 632 2.463 -7.405 8.695 1.00 0.00 H new ATOM 0 HG3 GLU B 632 1.002 -8.107 9.361 1.00 0.00 H new ATOM 1692 N ILE B 633 0.889 -8.679 4.036 1.00 0.00 N ATOM 1693 CA ILE B 633 0.221 -9.359 2.933 1.00 0.00 C ATOM 1694 C ILE B 633 1.235 -9.966 1.969 1.00 0.00 C ATOM 1695 O ILE B 633 1.061 -11.090 1.496 1.00 0.00 O ATOM 1696 CB ILE B 633 -0.700 -8.401 2.156 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -1.752 -7.799 3.091 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.366 -9.130 0.999 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -2.524 -6.654 2.475 1.00 0.00 C ATOM 0 H ILE B 633 0.850 -7.661 3.989 1.00 0.00 H new ATOM 0 HA ILE B 633 -0.383 -10.154 3.371 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.096 -7.589 1.749 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -2.452 -8.580 3.388 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -1.261 -7.449 3.999 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.014 -8.440 0.459 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -0.602 -9.515 0.323 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -1.960 -9.959 1.385 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -3.251 -6.277 3.194 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -1.834 -5.855 2.203 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -3.044 -7.004 1.583 1.00 0.00 H new ATOM 1710 N ALA B 634 2.293 -9.217 1.681 1.00 0.00 N ATOM 1711 CA ALA B 634 3.336 -9.683 0.776 1.00 0.00 C ATOM 1712 C ALA B 634 4.030 -10.922 1.329 1.00 0.00 C ATOM 1713 O ALA B 634 4.333 -11.859 0.590 1.00 0.00 O ATOM 1714 CB ALA B 634 4.349 -8.576 0.524 1.00 0.00 C ATOM 0 H ALA B 634 2.451 -8.284 2.062 1.00 0.00 H new ATOM 0 HA ALA B 634 2.867 -9.954 -0.170 1.00 0.00 H new ATOM 0 HB1 ALA B 634 5.122 -8.938 -0.154 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.847 -7.718 0.077 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.805 -8.278 1.468 1.00 0.00 H new ATOM 1720 N VAL B 635 4.280 -10.921 2.635 1.00 0.00 N ATOM 1721 CA VAL B 635 4.938 -12.047 3.288 1.00 0.00 C ATOM 1722 C VAL B 635 3.994 -13.236 3.417 1.00 0.00 C ATOM 1723 O VAL B 635 4.425 -14.389 3.387 1.00 0.00 O ATOM 1724 CB VAL B 635 5.453 -11.660 4.687 1.00 0.00 C ATOM 1725 CG1 VAL B 635 4.300 -11.239 5.583 1.00 0.00 C ATOM 1726 CG2 VAL B 635 6.227 -12.815 5.307 1.00 0.00 C ATOM 0 H VAL B 635 4.037 -10.153 3.261 1.00 0.00 H new ATOM 0 HA VAL B 635 5.785 -12.326 2.661 1.00 0.00 H new ATOM 0 HB VAL B 635 6.130 -10.812 4.585 1.00 0.00 H new ATOM 0 HG11 VAL B 635 4.684 -10.969 6.567 1.00 0.00 H new ATOM 0 HG12 VAL B 635 3.792 -10.380 5.144 1.00 0.00 H new ATOM 0 HG13 VAL B 635 3.596 -12.065 5.682 1.00 0.00 H new ATOM 0 HG21 VAL B 635 6.584 -12.525 6.295 1.00 0.00 H new ATOM 0 HG22 VAL B 635 5.574 -13.683 5.397 1.00 0.00 H new ATOM 0 HG23 VAL B 635 7.078 -13.065 4.673 1.00 0.00 H new ATOM 1736 N GLU B 636 2.704 -12.949 3.559 1.00 0.00 N ATOM 1737 CA GLU B 636 1.698 -13.996 3.693 1.00 0.00 C ATOM 1738 C GLU B 636 1.475 -14.709 2.363 1.00 0.00 C ATOM 1739 O GLU B 636 1.548 -15.935 2.284 1.00 0.00 O ATOM 1740 CB GLU B 636 0.378 -13.406 4.195 1.00 0.00 C ATOM 1741 CG GLU B 636 0.211 -13.487 5.703 1.00 0.00 C ATOM 1742 CD GLU B 636 -1.202 -13.855 6.113 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -2.131 -13.078 5.808 1.00 0.00 O ATOM 1744 OE2 GLU B 636 -1.378 -14.921 6.741 1.00 0.00 O ATOM 0 H GLU B 636 2.331 -12.000 3.584 1.00 0.00 H new ATOM 0 HA GLU B 636 2.062 -14.723 4.419 1.00 0.00 H new ATOM 0 HB2 GLU B 636 0.315 -12.363 3.886 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -0.450 -13.930 3.717 1.00 0.00 H new ATOM 0 HG2 GLU B 636 0.906 -14.226 6.103 1.00 0.00 H new ATOM 0 HG3 GLU B 636 0.476 -12.527 6.147 1.00 0.00 H new ATOM 1749 N GLN B 637 1.204 -13.931 1.319 1.00 0.00 N ATOM 1750 CA GLN B 637 0.969 -14.490 -0.008 1.00 0.00 C ATOM 1751 C GLN B 637 2.202 -15.231 -0.514 1.00 0.00 C ATOM 1752 O GLN B 637 2.093 -16.184 -1.282 1.00 0.00 O ATOM 1753 CB GLN B 637 0.588 -13.380 -0.990 1.00 0.00 C ATOM 1754 CG GLN B 637 1.761 -12.508 -1.406 1.00 0.00 C ATOM 1755 CD GLN B 637 2.370 -12.940 -2.725 1.00 0.00 C ATOM 1756 OE1 GLN B 637 1.658 -13.294 -3.665 1.00 0.00 O ATOM 1757 NE2 GLN B 637 3.695 -12.914 -2.803 1.00 0.00 N ATOM 0 H GLN B 637 1.142 -12.914 1.366 1.00 0.00 H new ATOM 0 HA GLN B 637 0.146 -15.201 0.065 1.00 0.00 H new ATOM 0 HB2 GLN B 637 0.146 -13.829 -1.880 1.00 0.00 H new ATOM 0 HB3 GLN B 637 -0.178 -12.752 -0.536 1.00 0.00 H new ATOM 0 HG2 GLN B 637 1.429 -11.473 -1.485 1.00 0.00 H new ATOM 0 HG3 GLN B 637 2.525 -12.539 -0.630 1.00 0.00 H new ATOM 0 HE21 GLN B 637 4.247 -12.614 -2.000 1.00 0.00 H new ATOM 0 HE22 GLN B 637 4.161 -13.194 -3.666 1.00 0.00 H new ATOM 1764 N ALA B 638 3.375 -14.785 -0.075 1.00 0.00 N ATOM 1765 CA ALA B 638 4.629 -15.407 -0.481 1.00 0.00 C ATOM 1766 C ALA B 638 4.702 -16.855 -0.010 1.00 0.00 C ATOM 1767 O ALA B 638 5.411 -17.674 -0.595 1.00 0.00 O ATOM 1768 CB ALA B 638 5.811 -14.615 0.059 1.00 0.00 C ATOM 0 H ALA B 638 3.482 -13.995 0.562 1.00 0.00 H new ATOM 0 HA ALA B 638 4.670 -15.404 -1.570 1.00 0.00 H new ATOM 0 HB1 ALA B 638 6.741 -15.091 -0.252 1.00 0.00 H new ATOM 0 HB2 ALA B 638 5.776 -13.598 -0.331 1.00 0.00 H new ATOM 0 HB3 ALA B 638 5.764 -14.588 1.148 1.00 0.00 H new ATOM 1774 N ALA B 639 3.963 -17.165 1.051 1.00 0.00 N ATOM 1775 CA ALA B 639 3.943 -18.515 1.600 1.00 0.00 C ATOM 1776 C ALA B 639 2.993 -19.413 0.814 1.00 0.00 C ATOM 1777 O ALA B 639 3.146 -20.635 0.800 1.00 0.00 O ATOM 1778 CB ALA B 639 3.548 -18.482 3.069 1.00 0.00 C ATOM 0 H ALA B 639 3.371 -16.499 1.547 1.00 0.00 H new ATOM 0 HA ALA B 639 4.947 -18.930 1.515 1.00 0.00 H new ATOM 0 HB1 ALA B 639 3.537 -19.497 3.466 1.00 0.00 H new ATOM 0 HB2 ALA B 639 4.268 -17.882 3.626 1.00 0.00 H new ATOM 0 HB3 ALA B 639 2.555 -18.043 3.169 1.00 0.00 H new ATOM 1784 N LEU B 640 2.011 -18.801 0.163 1.00 0.00 N ATOM 1785 CA LEU B 640 1.034 -19.545 -0.624 1.00 0.00 C ATOM 1786 C LEU B 640 1.286 -19.361 -2.118 1.00 0.00 C ATOM 1787 O LEU B 640 0.350 -19.362 -2.918 1.00 0.00 O ATOM 1788 CB LEU B 640 -0.384 -19.091 -0.274 1.00 0.00 C ATOM 1789 CG LEU B 640 -0.691 -18.934 1.216 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -1.975 -18.146 1.417 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -0.789 -20.297 1.885 1.00 0.00 C ATOM 0 H LEU B 640 1.870 -17.791 0.164 1.00 0.00 H new ATOM 0 HA LEU B 640 1.139 -20.603 -0.384 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.570 -18.136 -0.765 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -1.088 -19.808 -0.696 1.00 0.00 H new ATOM 0 HG LEU B 640 0.126 -18.381 1.680 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -2.177 -18.045 2.483 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -1.868 -17.157 0.972 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -2.802 -18.671 0.939 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -1.008 -20.167 2.945 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -1.586 -20.875 1.418 1.00 0.00 H new ATOM 0 HD23 LEU B 640 0.157 -20.827 1.772 1.00 0.00 H new ATOM 1802 N GLN B 641 2.553 -19.205 -2.485 1.00 0.00 N ATOM 1803 CA GLN B 641 2.926 -19.022 -3.882 1.00 0.00 C ATOM 1804 C GLN B 641 2.642 -20.283 -4.692 1.00 0.00 C ATOM 1805 O GLN B 641 2.421 -20.220 -5.900 1.00 0.00 O ATOM 1806 CB GLN B 641 4.407 -18.654 -3.993 1.00 0.00 C ATOM 1807 CG GLN B 641 4.743 -17.298 -3.393 1.00 0.00 C ATOM 1808 CD GLN B 641 4.798 -16.197 -4.433 1.00 0.00 C ATOM 1809 OE1 GLN B 641 5.834 -15.966 -5.057 1.00 0.00 O ATOM 1810 NE2 GLN B 641 3.679 -15.508 -4.628 1.00 0.00 N ATOM 0 H GLN B 641 3.339 -19.202 -1.835 1.00 0.00 H new ATOM 0 HA GLN B 641 2.325 -18.208 -4.288 1.00 0.00 H new ATOM 0 HB2 GLN B 641 5.002 -19.420 -3.495 1.00 0.00 H new ATOM 0 HB3 GLN B 641 4.696 -18.659 -5.044 1.00 0.00 H new ATOM 0 HG2 GLN B 641 3.998 -17.044 -2.639 1.00 0.00 H new ATOM 0 HG3 GLN B 641 5.704 -17.359 -2.883 1.00 0.00 H new ATOM 0 HE21 GLN B 641 2.842 -15.732 -4.090 1.00 0.00 H new ATOM 0 HE22 GLN B 641 3.657 -14.755 -5.316 1.00 0.00 H new ATOM 1817 N SER B 642 2.650 -21.428 -4.016 1.00 0.00 N ATOM 1818 CA SER B 642 2.398 -22.704 -4.673 1.00 0.00 C ATOM 1819 C SER B 642 0.992 -22.742 -5.265 1.00 0.00 C ATOM 1820 O SER B 642 0.785 -23.245 -6.369 1.00 0.00 O ATOM 1821 CB SER B 642 2.575 -23.856 -3.682 1.00 0.00 C ATOM 1822 OG SER B 642 2.796 -23.370 -2.369 1.00 0.00 O ATOM 0 H SER B 642 2.828 -21.497 -3.014 1.00 0.00 H new ATOM 0 HA SER B 642 3.119 -22.815 -5.483 1.00 0.00 H new ATOM 0 HB2 SER B 642 1.688 -24.490 -3.694 1.00 0.00 H new ATOM 0 HB3 SER B 642 3.416 -24.478 -3.989 1.00 0.00 H new ATOM 0 HG SER B 642 2.904 -24.126 -1.754 1.00 0.00 H new ATOM 1827 N ALA B 643 0.030 -22.204 -4.524 1.00 0.00 N ATOM 1828 CA ALA B 643 -1.356 -22.174 -4.975 1.00 0.00 C ATOM 1829 C ALA B 643 -1.575 -21.066 -6.001 1.00 0.00 C ATOM 1830 O ALA B 643 -2.520 -21.114 -6.788 1.00 0.00 O ATOM 1831 CB ALA B 643 -2.293 -21.991 -3.791 1.00 0.00 C ATOM 0 H ALA B 643 0.185 -21.783 -3.608 1.00 0.00 H new ATOM 0 HA ALA B 643 -1.577 -23.128 -5.455 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -3.324 -21.970 -4.143 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -2.164 -22.819 -3.094 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -2.063 -21.052 -3.287 1.00 0.00 H new ATOM 1837 N TRP B 644 -0.696 -20.070 -5.986 1.00 0.00 N ATOM 1838 CA TRP B 644 -0.794 -18.951 -6.915 1.00 0.00 C ATOM 1839 C TRP B 644 -0.781 -19.439 -8.359 1.00 0.00 C ATOM 1840 O TRP B 644 -0.068 -20.381 -8.698 1.00 0.00 O ATOM 1841 CB TRP B 644 0.356 -17.969 -6.685 1.00 0.00 C ATOM 1842 CG TRP B 644 0.196 -16.680 -7.434 1.00 0.00 C ATOM 1843 CD1 TRP B 644 0.482 -16.456 -8.750 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.288 -15.439 -6.909 1.00 0.00 C ATOM 1845 NE1 TRP B 644 0.206 -15.149 -9.075 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.268 -14.505 -7.963 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.736 -15.026 -5.652 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -0.679 -13.185 -7.796 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -1.144 -13.715 -5.487 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -1.114 -12.808 -6.555 1.00 0.00 C ATOM 0 H TRP B 644 0.092 -20.015 -5.341 1.00 0.00 H new ATOM 0 HA TRP B 644 -1.740 -18.441 -6.732 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.433 -17.754 -5.619 1.00 0.00 H new ATOM 0 HB3 TRP B 644 1.292 -18.441 -6.984 1.00 0.00 H new ATOM 0 HD1 TRP B 644 0.868 -17.196 -9.435 1.00 0.00 H new ATOM 0 HE1 TRP B 644 0.334 -14.727 -9.995 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.763 -15.718 -4.824 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -0.655 -12.484 -8.617 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.491 -13.385 -4.519 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.441 -11.791 -6.395 1.00 0.00 H new ATOM 1860 N GLN B 645 -1.577 -18.791 -9.205 1.00 0.00 N ATOM 1861 CA GLN B 645 -1.656 -19.161 -10.614 1.00 0.00 C ATOM 1862 C GLN B 645 -1.737 -17.922 -11.498 1.00 0.00 C ATOM 1863 O GLN B 645 -2.822 -17.404 -11.759 1.00 0.00 O ATOM 1864 CB GLN B 645 -2.871 -20.058 -10.858 1.00 0.00 C ATOM 1865 CG GLN B 645 -4.137 -19.568 -10.176 1.00 0.00 C ATOM 1866 CD GLN B 645 -4.965 -20.700 -9.600 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -6.162 -20.808 -9.867 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -4.330 -21.553 -8.803 1.00 0.00 N ATOM 0 H GLN B 645 -2.175 -18.009 -8.940 1.00 0.00 H new ATOM 0 HA GLN B 645 -0.750 -19.709 -10.872 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -3.050 -20.128 -11.931 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -2.645 -21.065 -10.506 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -3.870 -18.875 -9.378 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -4.739 -19.011 -10.894 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -3.337 -21.426 -8.608 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -4.836 -22.335 -8.386 1.00 0.00 H new ATOM 1875 N GLY B 646 -0.582 -17.451 -11.956 1.00 0.00 N ATOM 1876 CA GLY B 646 -0.544 -16.275 -12.807 1.00 0.00 C ATOM 1877 C GLY B 646 -1.134 -16.534 -14.179 1.00 0.00 C ATOM 1878 O GLY B 646 -1.288 -15.611 -14.980 1.00 0.00 O ATOM 0 H GLY B 646 0.329 -17.862 -11.753 1.00 0.00 H new ATOM 0 HA2 GLY B 646 -1.092 -15.464 -12.326 1.00 0.00 H new ATOM 0 HA3 GLY B 646 0.488 -15.942 -12.916 1.00 0.00 H new ATOM 1882 N ASP B 647 -1.463 -17.791 -14.453 1.00 0.00 N ATOM 1883 CA ASP B 647 -2.038 -18.169 -15.738 1.00 0.00 C ATOM 1884 C ASP B 647 -3.430 -17.569 -15.908 1.00 0.00 C ATOM 1885 O ASP B 647 -3.981 -17.550 -17.010 1.00 0.00 O ATOM 1886 CB ASP B 647 -2.106 -19.692 -15.864 1.00 0.00 C ATOM 1887 CG ASP B 647 -1.633 -20.183 -17.218 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -2.088 -19.631 -18.241 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -0.809 -21.121 -17.254 1.00 0.00 O ATOM 0 H ASP B 647 -1.341 -18.566 -13.802 1.00 0.00 H new ATOM 0 HA ASP B 647 -1.394 -17.777 -16.525 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -1.496 -20.146 -15.083 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -3.132 -20.022 -15.699 1.00 0.00 H new ATOM 1893 N THR B 648 -3.996 -17.081 -14.809 1.00 0.00 N ATOM 1894 CA THR B 648 -5.325 -16.483 -14.835 1.00 0.00 C ATOM 1895 C THR B 648 -5.246 -14.963 -14.738 1.00 0.00 C ATOM 1896 O THR B 648 -6.091 -14.252 -15.280 1.00 0.00 O ATOM 1897 CB THR B 648 -6.204 -17.014 -13.687 1.00 0.00 C ATOM 1898 OG1 THR B 648 -5.756 -16.477 -12.438 1.00 0.00 O ATOM 1899 CG2 THR B 648 -6.162 -18.534 -13.633 1.00 0.00 C ATOM 0 H THR B 648 -3.555 -17.088 -13.889 1.00 0.00 H new ATOM 0 HA THR B 648 -5.777 -16.761 -15.787 1.00 0.00 H new ATOM 0 HB THR B 648 -7.231 -16.699 -13.870 1.00 0.00 H new ATOM 0 HG1 THR B 648 -4.838 -16.773 -12.265 1.00 0.00 H new ATOM 0 HG21 THR B 648 -6.790 -18.886 -12.815 1.00 0.00 H new ATOM 0 HG22 THR B 648 -6.530 -18.942 -14.574 1.00 0.00 H new ATOM 0 HG23 THR B 648 -5.136 -18.864 -13.471 1.00 0.00 H new ATOM 1907 N GLY B 649 -4.225 -14.471 -14.042 1.00 0.00 N ATOM 1908 CA GLY B 649 -4.056 -13.039 -13.887 1.00 0.00 C ATOM 1909 C GLY B 649 -2.648 -12.665 -13.466 1.00 0.00 C ATOM 1910 O GLY B 649 -1.672 -13.175 -14.017 1.00 0.00 O ATOM 0 H GLY B 649 -3.513 -15.039 -13.583 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -4.294 -12.544 -14.828 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -4.764 -12.671 -13.145 1.00 0.00 H new ATOM 1914 N ILE B 650 -2.543 -11.769 -12.490 1.00 0.00 N ATOM 1915 CA ILE B 650 -1.244 -11.327 -11.998 1.00 0.00 C ATOM 1916 C ILE B 650 -0.378 -12.513 -11.589 1.00 0.00 C ATOM 1917 O ILE B 650 -0.856 -13.460 -10.963 1.00 0.00 O ATOM 1918 CB ILE B 650 -1.392 -10.375 -10.796 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -2.173 -9.124 -11.202 1.00 0.00 C ATOM 1920 CG2 ILE B 650 -0.025 -9.998 -10.247 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -2.360 -8.135 -10.072 1.00 0.00 C ATOM 0 H ILE B 650 -3.341 -11.336 -12.025 1.00 0.00 H new ATOM 0 HA ILE B 650 -0.761 -10.794 -12.817 1.00 0.00 H new ATOM 0 HB ILE B 650 -1.947 -10.888 -10.011 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -1.652 -8.631 -12.023 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -3.151 -9.423 -11.578 1.00 0.00 H new ATOM 0 HG21 ILE B 650 -0.147 -9.325 -9.398 1.00 0.00 H new ATOM 0 HG22 ILE B 650 0.498 -10.898 -9.924 1.00 0.00 H new ATOM 0 HG23 ILE B 650 0.555 -9.500 -11.024 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.922 -7.273 -10.432 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -2.908 -8.611 -9.259 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -1.385 -7.807 -9.710 1.00 0.00 H new ATOM 1932 N THR B 651 0.902 -12.456 -11.945 1.00 0.00 N ATOM 1933 CA THR B 651 1.836 -13.524 -11.614 1.00 0.00 C ATOM 1934 C THR B 651 2.442 -13.317 -10.231 1.00 0.00 C ATOM 1935 O THR B 651 2.452 -12.203 -9.707 1.00 0.00 O ATOM 1936 CB THR B 651 2.972 -13.617 -12.651 1.00 0.00 C ATOM 1937 OG1 THR B 651 2.570 -12.995 -13.876 1.00 0.00 O ATOM 1938 CG2 THR B 651 3.347 -15.068 -12.913 1.00 0.00 C ATOM 0 H THR B 651 1.315 -11.680 -12.463 1.00 0.00 H new ATOM 0 HA THR B 651 1.268 -14.454 -11.622 1.00 0.00 H new ATOM 0 HB THR B 651 3.843 -13.099 -12.250 1.00 0.00 H new ATOM 0 HG1 THR B 651 3.298 -13.057 -14.529 1.00 0.00 H new ATOM 0 HG21 THR B 651 4.151 -15.109 -13.648 1.00 0.00 H new ATOM 0 HG22 THR B 651 3.681 -15.531 -11.984 1.00 0.00 H new ATOM 0 HG23 THR B 651 2.479 -15.605 -13.295 1.00 0.00 H new ATOM 1946 N TYR B 652 2.946 -14.397 -9.643 1.00 0.00 N ATOM 1947 CA TYR B 652 3.551 -14.334 -8.319 1.00 0.00 C ATOM 1948 C TYR B 652 4.671 -13.299 -8.281 1.00 0.00 C ATOM 1949 O TYR B 652 4.807 -12.551 -7.313 1.00 0.00 O ATOM 1950 CB TYR B 652 4.095 -15.705 -7.918 1.00 0.00 C ATOM 1951 CG TYR B 652 5.151 -16.238 -8.860 1.00 0.00 C ATOM 1952 CD1 TYR B 652 4.798 -16.948 -10.001 1.00 0.00 C ATOM 1953 CD2 TYR B 652 6.502 -16.029 -8.611 1.00 0.00 C ATOM 1954 CE1 TYR B 652 5.759 -17.436 -10.865 1.00 0.00 C ATOM 1955 CE2 TYR B 652 7.470 -16.513 -9.470 1.00 0.00 C ATOM 1956 CZ TYR B 652 7.094 -17.215 -10.596 1.00 0.00 C ATOM 1957 OH TYR B 652 8.055 -17.699 -11.454 1.00 0.00 O ATOM 0 H TYR B 652 2.947 -15.326 -10.063 1.00 0.00 H new ATOM 0 HA TYR B 652 2.780 -14.035 -7.609 1.00 0.00 H new ATOM 0 HB2 TYR B 652 4.515 -15.640 -6.914 1.00 0.00 H new ATOM 0 HB3 TYR B 652 3.269 -16.415 -7.873 1.00 0.00 H new ATOM 0 HD1 TYR B 652 3.754 -17.121 -10.216 1.00 0.00 H new ATOM 0 HD2 TYR B 652 6.801 -15.479 -7.731 1.00 0.00 H new ATOM 0 HE1 TYR B 652 5.467 -17.988 -11.746 1.00 0.00 H new ATOM 0 HE2 TYR B 652 8.516 -16.342 -9.261 1.00 0.00 H new ATOM 0 HH TYR B 652 8.944 -17.456 -11.120 1.00 0.00 H new ATOM 1966 N GLN B 653 5.471 -13.263 -9.342 1.00 0.00 N ATOM 1967 CA GLN B 653 6.580 -12.320 -9.432 1.00 0.00 C ATOM 1968 C GLN B 653 6.072 -10.908 -9.703 1.00 0.00 C ATOM 1969 O GLN B 653 6.551 -9.942 -9.110 1.00 0.00 O ATOM 1970 CB GLN B 653 7.552 -12.746 -10.533 1.00 0.00 C ATOM 1971 CG GLN B 653 6.899 -12.888 -11.899 1.00 0.00 C ATOM 1972 CD GLN B 653 7.473 -14.037 -12.704 1.00 0.00 C ATOM 1973 OE1 GLN B 653 8.518 -14.591 -12.359 1.00 0.00 O ATOM 1974 NE2 GLN B 653 6.793 -14.403 -13.783 1.00 0.00 N ATOM 0 H GLN B 653 5.372 -13.876 -10.151 1.00 0.00 H new ATOM 0 HA GLN B 653 7.104 -12.321 -8.476 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.357 -12.014 -10.599 1.00 0.00 H new ATOM 0 HB3 GLN B 653 8.007 -13.697 -10.256 1.00 0.00 H new ATOM 0 HG2 GLN B 653 5.827 -13.039 -11.771 1.00 0.00 H new ATOM 0 HG3 GLN B 653 7.026 -11.960 -12.456 1.00 0.00 H new ATOM 0 HE21 GLN B 653 5.932 -13.917 -14.032 1.00 0.00 H new ATOM 0 HE22 GLN B 653 7.131 -15.171 -14.363 1.00 0.00 H new ATOM 1981 N ALA B 654 5.103 -10.795 -10.604 1.00 0.00 N ATOM 1982 CA ALA B 654 4.530 -9.501 -10.953 1.00 0.00 C ATOM 1983 C ALA B 654 3.895 -8.836 -9.737 1.00 0.00 C ATOM 1984 O ALA B 654 4.166 -7.672 -9.442 1.00 0.00 O ATOM 1985 CB ALA B 654 3.504 -9.660 -12.066 1.00 0.00 C ATOM 0 H ALA B 654 4.698 -11.585 -11.106 1.00 0.00 H new ATOM 0 HA ALA B 654 5.336 -8.858 -11.307 1.00 0.00 H new ATOM 0 HB1 ALA B 654 3.085 -8.686 -12.316 1.00 0.00 H new ATOM 0 HB2 ALA B 654 3.986 -10.085 -12.947 1.00 0.00 H new ATOM 0 HB3 ALA B 654 2.706 -10.324 -11.733 1.00 0.00 H new ATOM 1991 N TRP B 655 3.048 -9.582 -9.035 1.00 0.00 N ATOM 1992 CA TRP B 655 2.374 -9.063 -7.850 1.00 0.00 C ATOM 1993 C TRP B 655 3.382 -8.511 -6.848 1.00 0.00 C ATOM 1994 O TRP B 655 3.234 -7.392 -6.359 1.00 0.00 O ATOM 1995 CB TRP B 655 1.532 -10.160 -7.196 1.00 0.00 C ATOM 1996 CG TRP B 655 0.591 -9.642 -6.152 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.726 -9.323 -6.322 1.00 0.00 C ATOM 1998 CD2 TRP B 655 0.895 -9.383 -4.777 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.260 -8.880 -5.135 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.286 -8.909 -4.172 1.00 0.00 C ATOM 2001 CE3 TRP B 655 2.048 -9.508 -3.998 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.343 -8.558 -2.825 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 1.989 -9.159 -2.662 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.800 -8.690 -2.086 1.00 0.00 C ATOM 0 H TRP B 655 2.812 -10.547 -9.266 1.00 0.00 H new ATOM 0 HA TRP B 655 1.719 -8.250 -8.162 1.00 0.00 H new ATOM 0 HB2 TRP B 655 0.960 -10.677 -7.966 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.196 -10.897 -6.743 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -1.268 -9.406 -7.252 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.224 -8.579 -4.994 1.00 0.00 H new ATOM 0 HE3 TRP B 655 2.968 -9.871 -4.432 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.258 -8.195 -2.380 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 2.875 -9.249 -2.051 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.786 -8.428 -1.038 1.00 0.00 H new ATOM 2014 N GLN B 656 4.405 -9.305 -6.547 1.00 0.00 N ATOM 2015 CA GLN B 656 5.436 -8.895 -5.602 1.00 0.00 C ATOM 2016 C GLN B 656 5.998 -7.525 -5.968 1.00 0.00 C ATOM 2017 O GLN B 656 6.430 -6.768 -5.101 1.00 0.00 O ATOM 2018 CB GLN B 656 6.564 -9.927 -5.564 1.00 0.00 C ATOM 2019 CG GLN B 656 6.186 -11.214 -4.848 1.00 0.00 C ATOM 2020 CD GLN B 656 7.117 -11.535 -3.695 1.00 0.00 C ATOM 2021 OE1 GLN B 656 7.735 -12.600 -3.658 1.00 0.00 O ATOM 2022 NE2 GLN B 656 7.222 -10.613 -2.746 1.00 0.00 N ATOM 0 H GLN B 656 4.541 -10.235 -6.944 1.00 0.00 H new ATOM 0 HA GLN B 656 4.980 -8.829 -4.614 1.00 0.00 H new ATOM 0 HB2 GLN B 656 6.864 -10.163 -6.585 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.431 -9.488 -5.071 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.166 -11.131 -4.474 1.00 0.00 H new ATOM 0 HG3 GLN B 656 6.198 -12.039 -5.560 1.00 0.00 H new ATOM 0 HE21 GLN B 656 6.691 -9.745 -2.817 1.00 0.00 H new ATOM 0 HE22 GLN B 656 7.833 -10.773 -1.945 1.00 0.00 H new ATOM 2029 N ALA B 657 5.986 -7.214 -7.260 1.00 0.00 N ATOM 2030 CA ALA B 657 6.493 -5.934 -7.742 1.00 0.00 C ATOM 2031 C ALA B 657 5.414 -4.859 -7.680 1.00 0.00 C ATOM 2032 O ALA B 657 5.649 -3.760 -7.178 1.00 0.00 O ATOM 2033 CB ALA B 657 7.019 -6.076 -9.162 1.00 0.00 C ATOM 0 H ALA B 657 5.631 -7.830 -7.991 1.00 0.00 H new ATOM 0 HA ALA B 657 7.313 -5.627 -7.092 1.00 0.00 H new ATOM 0 HB1 ALA B 657 7.394 -5.113 -9.509 1.00 0.00 H new ATOM 0 HB2 ALA B 657 7.827 -6.808 -9.179 1.00 0.00 H new ATOM 0 HB3 ALA B 657 6.214 -6.409 -9.817 1.00 0.00 H new ATOM 2039 N GLN B 658 4.232 -5.181 -8.194 1.00 0.00 N ATOM 2040 CA GLN B 658 3.118 -4.241 -8.198 1.00 0.00 C ATOM 2041 C GLN B 658 2.781 -3.791 -6.781 1.00 0.00 C ATOM 2042 O GLN B 658 2.676 -2.595 -6.507 1.00 0.00 O ATOM 2043 CB GLN B 658 1.888 -4.877 -8.849 1.00 0.00 C ATOM 2044 CG GLN B 658 1.776 -4.597 -10.340 1.00 0.00 C ATOM 2045 CD GLN B 658 0.679 -5.405 -11.004 1.00 0.00 C ATOM 2046 OE1 GLN B 658 -0.471 -4.971 -11.075 1.00 0.00 O ATOM 2047 NE2 GLN B 658 1.030 -6.588 -11.496 1.00 0.00 N ATOM 0 H GLN B 658 4.021 -6.086 -8.613 1.00 0.00 H new ATOM 0 HA GLN B 658 3.416 -3.367 -8.777 1.00 0.00 H new ATOM 0 HB2 GLN B 658 1.920 -5.955 -8.692 1.00 0.00 H new ATOM 0 HB3 GLN B 658 0.992 -4.509 -8.350 1.00 0.00 H new ATOM 0 HG2 GLN B 658 1.583 -3.535 -10.493 1.00 0.00 H new ATOM 0 HG3 GLN B 658 2.728 -4.821 -10.820 1.00 0.00 H new ATOM 0 HE21 GLN B 658 1.995 -6.908 -11.415 1.00 0.00 H new ATOM 0 HE22 GLN B 658 0.334 -7.176 -11.955 1.00 0.00 H new ATOM 2054 N TRP B 659 2.612 -4.755 -5.883 1.00 0.00 N ATOM 2055 CA TRP B 659 2.286 -4.457 -4.493 1.00 0.00 C ATOM 2056 C TRP B 659 3.266 -3.445 -3.910 1.00 0.00 C ATOM 2057 O TRP B 659 2.870 -2.367 -3.469 1.00 0.00 O ATOM 2058 CB TRP B 659 2.301 -5.739 -3.659 1.00 0.00 C ATOM 2059 CG TRP B 659 1.778 -5.547 -2.267 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.514 -5.468 -1.119 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.407 -5.411 -1.876 1.00 0.00 C ATOM 2062 NE1 TRP B 659 1.683 -5.292 -0.039 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.386 -5.253 -0.478 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -0.804 -5.407 -2.574 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.800 -5.093 0.235 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -1.979 -5.249 -1.865 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -1.970 -5.092 -0.472 1.00 0.00 C ATOM 0 H TRP B 659 2.695 -5.750 -6.093 1.00 0.00 H new ATOM 0 HA TRP B 659 1.286 -4.025 -4.464 1.00 0.00 H new ATOM 0 HB2 TRP B 659 1.703 -6.499 -4.163 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.321 -6.119 -3.607 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.591 -5.534 -1.068 1.00 0.00 H new ATOM 0 HE1 TRP B 659 1.983 -5.205 0.932 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -0.821 -5.525 -3.647 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.795 -4.974 1.308 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -2.921 -5.246 -2.393 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -2.906 -4.968 0.053 1.00 0.00 H new ATOM 2077 N ASN B 660 4.547 -3.799 -3.911 1.00 0.00 N ATOM 2078 CA ASN B 660 5.583 -2.921 -3.380 1.00 0.00 C ATOM 2079 C ASN B 660 5.546 -1.558 -4.066 1.00 0.00 C ATOM 2080 O ASN B 660 5.485 -0.522 -3.406 1.00 0.00 O ATOM 2081 CB ASN B 660 6.963 -3.557 -3.562 1.00 0.00 C ATOM 2082 CG ASN B 660 7.688 -3.752 -2.244 1.00 0.00 C ATOM 2083 OD1 ASN B 660 7.515 -2.974 -1.307 1.00 0.00 O ATOM 2084 ND2 ASN B 660 8.504 -4.798 -2.168 1.00 0.00 N ATOM 0 H ASN B 660 4.892 -4.688 -4.274 1.00 0.00 H new ATOM 0 HA ASN B 660 5.392 -2.779 -2.316 1.00 0.00 H new ATOM 0 HB2 ASN B 660 6.853 -4.521 -4.059 1.00 0.00 H new ATOM 0 HB3 ASN B 660 7.567 -2.928 -4.216 1.00 0.00 H new ATOM 0 HD21 ASN B 660 9.018 -4.982 -1.307 1.00 0.00 H new ATOM 0 HD22 ASN B 660 8.616 -5.417 -2.971 1.00 0.00 H new ATOM 2090 N GLN B 661 5.580 -1.570 -5.395 1.00 0.00 N ATOM 2091 CA GLN B 661 5.550 -0.335 -6.170 1.00 0.00 C ATOM 2092 C GLN B 661 4.376 0.543 -5.748 1.00 0.00 C ATOM 2093 O GLN B 661 4.465 1.770 -5.781 1.00 0.00 O ATOM 2094 CB GLN B 661 5.457 -0.648 -7.664 1.00 0.00 C ATOM 2095 CG GLN B 661 6.735 -1.230 -8.245 1.00 0.00 C ATOM 2096 CD GLN B 661 7.769 -0.166 -8.560 1.00 0.00 C ATOM 2097 OE1 GLN B 661 7.429 0.987 -8.829 1.00 0.00 O ATOM 2098 NE2 GLN B 661 9.041 -0.547 -8.526 1.00 0.00 N ATOM 0 H GLN B 661 5.628 -2.420 -5.957 1.00 0.00 H new ATOM 0 HA GLN B 661 6.475 0.209 -5.977 1.00 0.00 H new ATOM 0 HB2 GLN B 661 4.640 -1.350 -7.829 1.00 0.00 H new ATOM 0 HB3 GLN B 661 5.206 0.266 -8.203 1.00 0.00 H new ATOM 0 HG2 GLN B 661 7.158 -1.945 -7.539 1.00 0.00 H new ATOM 0 HG3 GLN B 661 6.498 -1.782 -9.155 1.00 0.00 H new ATOM 0 HE21 GLN B 661 9.278 -1.513 -8.298 1.00 0.00 H new ATOM 0 HE22 GLN B 661 9.781 0.126 -8.727 1.00 0.00 H new ATOM 2105 N ALA B 662 3.279 -0.093 -5.354 1.00 0.00 N ATOM 2106 CA ALA B 662 2.089 0.631 -4.925 1.00 0.00 C ATOM 2107 C ALA B 662 2.254 1.167 -3.507 1.00 0.00 C ATOM 2108 O ALA B 662 2.103 2.364 -3.264 1.00 0.00 O ATOM 2109 CB ALA B 662 0.864 -0.269 -5.011 1.00 0.00 C ATOM 0 H ALA B 662 3.189 -1.109 -5.323 1.00 0.00 H new ATOM 0 HA ALA B 662 1.950 1.481 -5.593 1.00 0.00 H new ATOM 0 HB1 ALA B 662 -0.018 0.285 -4.688 1.00 0.00 H new ATOM 0 HB2 ALA B 662 0.727 -0.600 -6.040 1.00 0.00 H new ATOM 0 HB3 ALA B 662 1.004 -1.137 -4.366 1.00 0.00 H new ATOM 2115 N MET B 663 2.566 0.273 -2.573 1.00 0.00 N ATOM 2116 CA MET B 663 2.752 0.658 -1.179 1.00 0.00 C ATOM 2117 C MET B 663 3.722 1.829 -1.064 1.00 0.00 C ATOM 2118 O MET B 663 3.607 2.655 -0.158 1.00 0.00 O ATOM 2119 CB MET B 663 3.267 -0.529 -0.364 1.00 0.00 C ATOM 2120 CG MET B 663 2.172 -1.280 0.376 1.00 0.00 C ATOM 2121 SD MET B 663 2.191 -0.963 2.151 1.00 0.00 S ATOM 2122 CE MET B 663 0.454 -0.650 2.458 1.00 0.00 C ATOM 0 H MET B 663 2.695 -0.722 -2.757 1.00 0.00 H new ATOM 0 HA MET B 663 1.786 0.969 -0.782 1.00 0.00 H new ATOM 0 HB2 MET B 663 3.783 -1.220 -1.030 1.00 0.00 H new ATOM 0 HB3 MET B 663 4.002 -0.172 0.357 1.00 0.00 H new ATOM 0 HG2 MET B 663 1.202 -0.993 -0.030 1.00 0.00 H new ATOM 0 HG3 MET B 663 2.288 -2.350 0.200 1.00 0.00 H new ATOM 0 HE1 MET B 663 0.308 0.408 2.674 1.00 0.00 H new ATOM 0 HE2 MET B 663 -0.126 -0.924 1.577 1.00 0.00 H new ATOM 0 HE3 MET B 663 0.122 -1.244 3.310 1.00 0.00 H new ATOM 2130 N GLU B 664 4.678 1.893 -1.986 1.00 0.00 N ATOM 2131 CA GLU B 664 5.668 2.963 -1.985 1.00 0.00 C ATOM 2132 C GLU B 664 5.002 4.322 -2.178 1.00 0.00 C ATOM 2133 O GLU B 664 5.198 5.241 -1.382 1.00 0.00 O ATOM 2134 CB GLU B 664 6.705 2.730 -3.087 1.00 0.00 C ATOM 2135 CG GLU B 664 7.631 3.914 -3.311 1.00 0.00 C ATOM 2136 CD GLU B 664 8.617 3.676 -4.439 1.00 0.00 C ATOM 2137 OE1 GLU B 664 9.641 3.003 -4.202 1.00 0.00 O ATOM 2138 OE2 GLU B 664 8.363 4.165 -5.560 1.00 0.00 O ATOM 0 H GLU B 664 4.787 1.217 -2.742 1.00 0.00 H new ATOM 0 HA GLU B 664 6.169 2.958 -1.017 1.00 0.00 H new ATOM 0 HB2 GLU B 664 7.303 1.855 -2.833 1.00 0.00 H new ATOM 0 HB3 GLU B 664 6.188 2.503 -4.019 1.00 0.00 H new ATOM 0 HG2 GLU B 664 7.036 4.799 -3.534 1.00 0.00 H new ATOM 0 HG3 GLU B 664 8.179 4.122 -2.392 1.00 0.00 H new ATOM 2143 N ASP B 665 4.214 4.442 -3.240 1.00 0.00 N ATOM 2144 CA ASP B 665 3.517 5.689 -3.539 1.00 0.00 C ATOM 2145 C ASP B 665 2.335 5.890 -2.594 1.00 0.00 C ATOM 2146 O ASP B 665 1.925 7.021 -2.330 1.00 0.00 O ATOM 2147 CB ASP B 665 3.032 5.692 -4.989 1.00 0.00 C ATOM 2148 CG ASP B 665 2.406 7.014 -5.386 1.00 0.00 C ATOM 2149 OD1 ASP B 665 2.713 8.035 -4.738 1.00 0.00 O ATOM 2150 OD2 ASP B 665 1.607 7.028 -6.347 1.00 0.00 O ATOM 0 H ASP B 665 4.041 3.692 -3.909 1.00 0.00 H new ATOM 0 HA ASP B 665 4.218 6.512 -3.397 1.00 0.00 H new ATOM 0 HB2 ASP B 665 3.871 5.477 -5.650 1.00 0.00 H new ATOM 0 HB3 ASP B 665 2.304 4.892 -5.128 1.00 0.00 H new ATOM 2154 N LEU B 666 1.793 4.787 -2.090 1.00 0.00 N ATOM 2155 CA LEU B 666 0.658 4.842 -1.176 1.00 0.00 C ATOM 2156 C LEU B 666 1.086 5.362 0.193 1.00 0.00 C ATOM 2157 O LEU B 666 0.571 6.369 0.676 1.00 0.00 O ATOM 2158 CB LEU B 666 0.025 3.457 -1.033 1.00 0.00 C ATOM 2159 CG LEU B 666 -0.870 3.250 0.189 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -2.309 3.005 -0.238 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -0.359 2.094 1.035 1.00 0.00 C ATOM 0 H LEU B 666 2.121 3.844 -2.299 1.00 0.00 H new ATOM 0 HA LEU B 666 -0.078 5.530 -1.592 1.00 0.00 H new ATOM 0 HB2 LEU B 666 -0.564 3.255 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU B 666 0.824 2.716 -1.003 1.00 0.00 H new ATOM 0 HG LEU B 666 -0.841 4.157 0.793 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -2.931 2.860 0.645 1.00 0.00 H new ATOM 0 HD12 LEU B 666 -2.673 3.865 -0.801 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -2.356 2.115 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -1.008 1.961 1.900 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -0.357 1.181 0.440 1.00 0.00 H new ATOM 0 HD23 LEU B 666 0.655 2.310 1.372 1.00 0.00 H new ATOM 2172 N VAL B 667 2.034 4.667 0.814 1.00 0.00 N ATOM 2173 CA VAL B 667 2.535 5.059 2.126 1.00 0.00 C ATOM 2174 C VAL B 667 3.017 6.505 2.120 1.00 0.00 C ATOM 2175 O VAL B 667 2.765 7.258 3.061 1.00 0.00 O ATOM 2176 CB VAL B 667 3.688 4.146 2.583 1.00 0.00 C ATOM 2177 CG1 VAL B 667 4.921 4.371 1.722 1.00 0.00 C ATOM 2178 CG2 VAL B 667 4.003 4.381 4.053 1.00 0.00 C ATOM 0 H VAL B 667 2.471 3.829 0.429 1.00 0.00 H new ATOM 0 HA VAL B 667 1.705 4.959 2.825 1.00 0.00 H new ATOM 0 HB VAL B 667 3.376 3.108 2.464 1.00 0.00 H new ATOM 0 HG11 VAL B 667 5.725 3.717 2.060 1.00 0.00 H new ATOM 0 HG12 VAL B 667 4.684 4.147 0.682 1.00 0.00 H new ATOM 0 HG13 VAL B 667 5.239 5.410 1.806 1.00 0.00 H new ATOM 0 HG21 VAL B 667 4.820 3.728 4.359 1.00 0.00 H new ATOM 0 HG22 VAL B 667 4.295 5.421 4.201 1.00 0.00 H new ATOM 0 HG23 VAL B 667 3.120 4.163 4.654 1.00 0.00 H new ATOM 2188 N ARG B 668 3.712 6.887 1.053 1.00 0.00 N ATOM 2189 CA ARG B 668 4.231 8.243 0.925 1.00 0.00 C ATOM 2190 C ARG B 668 3.104 9.231 0.642 1.00 0.00 C ATOM 2191 O ARG B 668 3.170 10.394 1.041 1.00 0.00 O ATOM 2192 CB ARG B 668 5.275 8.309 -0.192 1.00 0.00 C ATOM 2193 CG ARG B 668 4.671 8.385 -1.585 1.00 0.00 C ATOM 2194 CD ARG B 668 5.749 8.440 -2.657 1.00 0.00 C ATOM 2195 NE ARG B 668 5.264 9.056 -3.889 1.00 0.00 N ATOM 2196 CZ ARG B 668 6.000 9.179 -4.988 1.00 0.00 C ATOM 2197 NH1 ARG B 668 7.249 8.731 -5.007 1.00 0.00 N ATOM 2198 NH2 ARG B 668 5.488 9.750 -6.070 1.00 0.00 N ATOM 0 H ARG B 668 3.928 6.276 0.265 1.00 0.00 H new ATOM 0 HA ARG B 668 4.702 8.516 1.869 1.00 0.00 H new ATOM 0 HB2 ARG B 668 5.911 9.180 -0.033 1.00 0.00 H new ATOM 0 HB3 ARG B 668 5.917 7.430 -0.131 1.00 0.00 H new ATOM 0 HG2 ARG B 668 4.032 7.518 -1.754 1.00 0.00 H new ATOM 0 HG3 ARG B 668 4.036 9.268 -1.660 1.00 0.00 H new ATOM 0 HD2 ARG B 668 6.604 9.003 -2.283 1.00 0.00 H new ATOM 0 HD3 ARG B 668 6.100 7.430 -2.870 1.00 0.00 H new ATOM 0 HE ARG B 668 4.308 9.411 -3.907 1.00 0.00 H new ATOM 0 HH11 ARG B 668 7.646 8.291 -4.177 1.00 0.00 H new ATOM 0 HH12 ARG B 668 7.812 8.827 -5.852 1.00 0.00 H new ATOM 0 HH21 ARG B 668 4.528 10.095 -6.059 1.00 0.00 H new ATOM 0 HH22 ARG B 668 6.054 9.844 -6.913 1.00 0.00 H new ATOM 2209 N ALA B 669 2.071 8.762 -0.049 1.00 0.00 N ATOM 2210 CA ALA B 669 0.929 9.604 -0.384 1.00 0.00 C ATOM 2211 C ALA B 669 0.273 10.164 0.873 1.00 0.00 C ATOM 2212 O ALA B 669 -0.367 11.215 0.835 1.00 0.00 O ATOM 2213 CB ALA B 669 -0.083 8.819 -1.205 1.00 0.00 C ATOM 0 H ALA B 669 2.001 7.803 -0.388 1.00 0.00 H new ATOM 0 HA ALA B 669 1.290 10.443 -0.979 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -0.930 9.460 -1.448 1.00 0.00 H new ATOM 0 HB2 ALA B 669 0.386 8.473 -2.126 1.00 0.00 H new ATOM 0 HB3 ALA B 669 -0.431 7.961 -0.630 1.00 0.00 H new ATOM 2219 N TYR B 670 0.434 9.456 1.985 1.00 0.00 N ATOM 2220 CA TYR B 670 -0.145 9.881 3.254 1.00 0.00 C ATOM 2221 C TYR B 670 0.778 10.859 3.974 1.00 0.00 C ATOM 2222 O TYR B 670 0.391 11.988 4.276 1.00 0.00 O ATOM 2223 CB TYR B 670 -0.419 8.669 4.145 1.00 0.00 C ATOM 2224 CG TYR B 670 -1.086 9.020 5.456 1.00 0.00 C ATOM 2225 CD1 TYR B 670 -2.454 9.255 5.520 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -0.350 9.114 6.630 1.00 0.00 C ATOM 2227 CE1 TYR B 670 -3.068 9.576 6.715 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -0.956 9.434 7.830 1.00 0.00 C ATOM 2229 CZ TYR B 670 -2.316 9.664 7.867 1.00 0.00 C ATOM 2230 OH TYR B 670 -2.924 9.983 9.060 1.00 0.00 O ATOM 0 H TYR B 670 0.961 8.584 2.034 1.00 0.00 H new ATOM 0 HA TYR B 670 -1.087 10.388 3.043 1.00 0.00 H new ATOM 0 HB2 TYR B 670 -1.050 7.965 3.603 1.00 0.00 H new ATOM 0 HB3 TYR B 670 0.522 8.160 4.351 1.00 0.00 H new ATOM 0 HD1 TYR B 670 -3.047 9.186 4.620 1.00 0.00 H new ATOM 0 HD2 TYR B 670 0.715 8.934 6.605 1.00 0.00 H new ATOM 0 HE1 TYR B 670 -4.132 9.757 6.747 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -0.369 9.504 8.734 1.00 0.00 H new ATOM 0 HH TYR B 670 -3.897 9.927 8.957 1.00 0.00 H new ATOM 2239 N HIS B 671 2.002 10.417 4.246 1.00 0.00 N ATOM 2240 CA HIS B 671 2.982 11.251 4.930 1.00 0.00 C ATOM 2241 C HIS B 671 3.246 12.533 4.146 1.00 0.00 C ATOM 2242 O HIS B 671 3.104 13.636 4.674 1.00 0.00 O ATOM 2243 CB HIS B 671 4.289 10.483 5.128 1.00 0.00 C ATOM 2244 CG HIS B 671 5.405 11.326 5.662 1.00 0.00 C ATOM 2245 ND1 HIS B 671 6.734 11.082 5.383 1.00 0.00 N ATOM 2246 CD2 HIS B 671 5.385 12.418 6.463 1.00 0.00 C ATOM 2247 CE1 HIS B 671 7.482 11.986 5.990 1.00 0.00 C ATOM 2248 NE2 HIS B 671 6.688 12.808 6.651 1.00 0.00 N ATOM 0 H HIS B 671 2.338 9.485 4.003 1.00 0.00 H new ATOM 0 HA HIS B 671 2.576 11.519 5.905 1.00 0.00 H new ATOM 0 HB2 HIS B 671 4.113 9.653 5.812 1.00 0.00 H new ATOM 0 HB3 HIS B 671 4.595 10.051 4.175 1.00 0.00 H new ATOM 0 HD2 HIS B 671 4.508 12.893 6.877 1.00 0.00 H new ATOM 0 HE1 HIS B 671 8.560 12.043 5.952 1.00 0.00 H new ATOM 0 HE2 HIS B 671 6.993 13.604 7.211 1.00 0.00 H new ATOM 2255 N ALA B 672 3.630 12.380 2.882 1.00 0.00 N ATOM 2256 CA ALA B 672 3.913 13.525 2.026 1.00 0.00 C ATOM 2257 C ALA B 672 2.744 14.506 2.017 1.00 0.00 C ATOM 2258 O ALA B 672 2.934 15.713 2.162 1.00 0.00 O ATOM 2259 CB ALA B 672 4.224 13.061 0.611 1.00 0.00 C ATOM 0 H ALA B 672 3.752 11.474 2.429 1.00 0.00 H new ATOM 0 HA ALA B 672 4.785 14.042 2.428 1.00 0.00 H new ATOM 0 HB1 ALA B 672 4.433 13.926 -0.018 1.00 0.00 H new ATOM 0 HB2 ALA B 672 5.094 12.404 0.626 1.00 0.00 H new ATOM 0 HB3 ALA B 672 3.368 12.519 0.209 1.00 0.00 H new ATOM 2265 N MET B 673 1.536 13.978 1.846 1.00 0.00 N ATOM 2266 CA MET B 673 0.338 14.808 1.819 1.00 0.00 C ATOM 2267 C MET B 673 0.239 15.662 3.078 1.00 0.00 C ATOM 2268 O MET B 673 -0.278 16.779 3.045 1.00 0.00 O ATOM 2269 CB MET B 673 -0.911 13.934 1.684 1.00 0.00 C ATOM 2270 CG MET B 673 -2.211 14.698 1.869 1.00 0.00 C ATOM 2271 SD MET B 673 -3.666 13.675 1.575 1.00 0.00 S ATOM 2272 CE MET B 673 -3.585 12.560 2.975 1.00 0.00 C ATOM 0 H MET B 673 1.362 12.980 1.724 1.00 0.00 H new ATOM 0 HA MET B 673 0.406 15.470 0.956 1.00 0.00 H new ATOM 0 HB2 MET B 673 -0.912 13.465 0.700 1.00 0.00 H new ATOM 0 HB3 MET B 673 -0.863 13.131 2.419 1.00 0.00 H new ATOM 0 HG2 MET B 673 -2.252 15.098 2.882 1.00 0.00 H new ATOM 0 HG3 MET B 673 -2.227 15.550 1.189 1.00 0.00 H new ATOM 0 HE1 MET B 673 -4.593 12.252 3.254 1.00 0.00 H new ATOM 0 HE2 MET B 673 -2.998 11.681 2.707 1.00 0.00 H new ATOM 0 HE3 MET B 673 -3.115 13.067 3.817 1.00 0.00 H new