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 64 LYS NZ :NH3+ -163:sc= -0.161 (180deg=-0.494) USER MOD Set 1.2: B 658 GLN : amide:sc= -0.69 K(o=-0.85,f=-6.5!) USER MOD Set 2.1: A 75 ASN : amide:sc= -0.727 K(o=-0.73,f=-0.092) USER MOD Set 2.2: B 648 THR OG1 : rot -170:sc= 0 USER MOD Set 3.1: A 66 ASN : amide:sc= -0.882 K(o=0.15,f=0.96) USER MOD Set 3.2: A 67 THR OG1 : rot 82:sc= 1.03 USER MOD Set 4.1: A 25 MET CE :methyl -133:sc= -4.01! (180deg=-10.3!) USER MOD Set 4.2: B 663 MET CE :methyl -140:sc= -0.316 (180deg=-2.93!) USER MOD Single : A 21 LYS NZ :NH3+ -137:sc=-0.00093 (180deg=-2.16!) USER MOD Single : A 27 HIS : no HD1:sc= -1.28 X(o=-1.3,f=-1.2) USER MOD Single : A 28 THR OG1 : rot -170:sc=0.000525 USER MOD Single : A 31 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.29) USER MOD Single : A 52 GLN : amide:sc= -0.156 K(o=-0.16,f=-1.4!) USER MOD Single : A 55 HIS : no HD1:sc= -0.794 K(o=-0.79,f=-0.13) USER MOD Single : A 73 GLN : amide:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : B 622 TYR OH : rot 180:sc= 0 USER MOD Single : B 625 THR OG1 : rot 81:sc= 0.579 USER MOD Single : B 627 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : B 628 SER OG : rot 180:sc= 0 USER MOD Single : B 637 GLN : amide:sc= -0.428 X(o=-0.43,f=-0.88) USER MOD Single : B 641 GLN : amide:sc= -1.32 K(o=-1.3,f=-5.6!) USER MOD Single : B 642 SER OG : rot 180:sc= 0 USER MOD Single : B 645 GLN : amide:sc= 0.207 X(o=0.21,f=0) USER MOD Single : B 651 THR OG1 : rot 180:sc= 0 USER MOD Single : B 652 TYR OH : rot 180:sc= 0 USER MOD Single : B 653 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 656 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 660 ASN : amide:sc= -0.0139 K(o=-0.014,f=-1) USER MOD Single : B 661 GLN : amide:sc= -0.0744 K(o=-0.074,f=-0.92) USER MOD Single : B 670 TYR OH : rot 180:sc= 0 USER MOD Single : B 671 HIS : no HD1:sc= -0.0421 X(o=-0.042,f=0) USER MOD Single : B 673 MET CE :methyl -156:sc= -0.0454 (180deg=-0.37) USER MOD ----------------------------------------------------------------- ATOM 222 N ALA A 17 -6.856 -16.712 6.756 1.00 0.00 N ATOM 223 CA ALA A 17 -5.977 -15.750 7.411 1.00 0.00 C ATOM 224 C ALA A 17 -5.637 -14.593 6.476 1.00 0.00 C ATOM 225 O ALA A 17 -5.426 -13.464 6.921 1.00 0.00 O ATOM 226 CB ALA A 17 -4.706 -16.436 7.888 1.00 0.00 C ATOM 0 HA ALA A 17 -6.503 -15.343 8.275 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.059 -15.706 8.375 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.962 -17.224 8.596 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.185 -16.870 7.035 1.00 0.00 H new ATOM 232 N PHE A 18 -5.584 -14.881 5.180 1.00 0.00 N ATOM 233 CA PHE A 18 -5.268 -13.864 4.183 1.00 0.00 C ATOM 234 C PHE A 18 -6.403 -12.854 4.058 1.00 0.00 C ATOM 235 O PHE A 18 -6.184 -11.646 4.137 1.00 0.00 O ATOM 236 CB PHE A 18 -4.998 -14.517 2.826 1.00 0.00 C ATOM 237 CG PHE A 18 -4.253 -13.629 1.871 1.00 0.00 C ATOM 238 CD1 PHE A 18 -2.868 -13.636 1.836 1.00 0.00 C ATOM 239 CD2 PHE A 18 -4.938 -12.788 1.009 1.00 0.00 C ATOM 240 CE1 PHE A 18 -2.179 -12.820 0.958 1.00 0.00 C ATOM 241 CE2 PHE A 18 -4.254 -11.971 0.128 1.00 0.00 C ATOM 242 CZ PHE A 18 -2.874 -11.986 0.104 1.00 0.00 C ATOM 0 H PHE A 18 -5.756 -15.810 4.795 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.371 -13.337 4.509 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.426 -15.432 2.980 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.948 -14.806 2.375 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.320 -14.286 2.502 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.018 -12.770 1.025 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.099 -12.835 0.940 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.799 -11.322 -0.541 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.338 -11.346 -0.582 1.00 0.00 H new ATOM 251 N ALA A 19 -7.617 -13.358 3.862 1.00 0.00 N ATOM 252 CA ALA A 19 -8.788 -12.500 3.727 1.00 0.00 C ATOM 253 C ALA A 19 -8.951 -11.597 4.945 1.00 0.00 C ATOM 254 O ALA A 19 -9.377 -10.449 4.827 1.00 0.00 O ATOM 255 CB ALA A 19 -10.038 -13.342 3.520 1.00 0.00 C ATOM 0 H ALA A 19 -7.815 -14.356 3.793 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.643 -11.864 2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.905 -12.688 3.421 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.929 -13.939 2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.178 -14.002 4.376 1.00 0.00 H new ATOM 261 N ALA A 20 -8.610 -12.126 6.117 1.00 0.00 N ATOM 262 CA ALA A 20 -8.718 -11.368 7.357 1.00 0.00 C ATOM 263 C ALA A 20 -7.880 -10.095 7.296 1.00 0.00 C ATOM 264 O ALA A 20 -8.263 -9.060 7.844 1.00 0.00 O ATOM 265 CB ALA A 20 -8.293 -12.226 8.539 1.00 0.00 C ATOM 0 H ALA A 20 -8.257 -13.076 6.233 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.761 -11.080 7.488 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.379 -11.647 9.458 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.936 -13.104 8.602 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.259 -12.543 8.405 1.00 0.00 H new ATOM 271 N LYS A 21 -6.735 -10.177 6.629 1.00 0.00 N ATOM 272 CA LYS A 21 -5.842 -9.032 6.495 1.00 0.00 C ATOM 273 C LYS A 21 -6.369 -8.050 5.455 1.00 0.00 C ATOM 274 O LYS A 21 -6.242 -6.836 5.613 1.00 0.00 O ATOM 275 CB LYS A 21 -4.436 -9.497 6.108 1.00 0.00 C ATOM 276 CG LYS A 21 -3.695 -10.196 7.235 1.00 0.00 C ATOM 277 CD LYS A 21 -2.381 -9.502 7.551 1.00 0.00 C ATOM 278 CE LYS A 21 -2.603 -8.219 8.337 1.00 0.00 C ATOM 279 NZ LYS A 21 -1.385 -7.810 9.089 1.00 0.00 N ATOM 0 H LYS A 21 -6.402 -11.026 6.172 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.797 -8.524 7.458 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.508 -10.174 5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.854 -8.635 5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.321 -10.215 8.127 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.503 -11.233 6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.742 -10.174 8.123 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.856 -9.275 6.623 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.893 -7.421 7.654 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.430 -8.359 9.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.655 -7.500 10.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.732 -8.617 9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.916 -7.027 8.590 1.00 0.00 H new ATOM 289 N ALA A 22 -6.962 -8.582 4.391 1.00 0.00 N ATOM 290 CA ALA A 22 -7.511 -7.752 3.327 1.00 0.00 C ATOM 291 C ALA A 22 -8.487 -6.721 3.882 1.00 0.00 C ATOM 292 O ALA A 22 -8.407 -5.538 3.557 1.00 0.00 O ATOM 293 CB ALA A 22 -8.195 -8.620 2.280 1.00 0.00 C ATOM 0 H ALA A 22 -7.074 -9.585 4.244 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.687 -7.216 2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.601 -7.987 1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.471 -9.313 1.852 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.004 -9.182 2.746 1.00 0.00 H new ATOM 299 N GLY A 23 -9.409 -7.179 4.723 1.00 0.00 N ATOM 300 CA GLY A 23 -10.389 -6.283 5.310 1.00 0.00 C ATOM 301 C GLY A 23 -9.779 -5.352 6.339 1.00 0.00 C ATOM 302 O GLY A 23 -10.152 -4.182 6.426 1.00 0.00 O ATOM 0 H GLY A 23 -9.495 -8.154 5.009 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.855 -5.693 4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.179 -6.870 5.778 1.00 0.00 H new ATOM 306 N LEU A 24 -8.840 -5.872 7.122 1.00 0.00 N ATOM 307 CA LEU A 24 -8.178 -5.079 8.152 1.00 0.00 C ATOM 308 C LEU A 24 -7.356 -3.955 7.530 1.00 0.00 C ATOM 309 O LEU A 24 -7.122 -2.923 8.159 1.00 0.00 O ATOM 310 CB LEU A 24 -7.277 -5.971 9.008 1.00 0.00 C ATOM 311 CG LEU A 24 -7.720 -6.176 10.458 1.00 0.00 C ATOM 312 CD1 LEU A 24 -7.539 -4.896 11.258 1.00 0.00 C ATOM 313 CD2 LEU A 24 -9.167 -6.642 10.513 1.00 0.00 C ATOM 0 H LEU A 24 -8.520 -6.839 7.063 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.947 -4.635 8.784 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.205 -6.948 8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.274 -5.544 9.012 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.094 -6.949 10.903 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.859 -5.061 12.287 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.488 -4.606 11.247 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.139 -4.102 10.814 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.465 -6.783 11.552 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.809 -5.892 10.050 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.266 -7.586 9.976 1.00 0.00 H new ATOM 324 N MET A 25 -6.923 -4.161 6.291 1.00 0.00 N ATOM 325 CA MET A 25 -6.131 -3.162 5.582 1.00 0.00 C ATOM 326 C MET A 25 -6.962 -1.917 5.288 1.00 0.00 C ATOM 327 O MET A 25 -6.616 -0.814 5.711 1.00 0.00 O ATOM 328 CB MET A 25 -5.584 -3.745 4.278 1.00 0.00 C ATOM 329 CG MET A 25 -4.931 -2.711 3.376 1.00 0.00 C ATOM 330 SD MET A 25 -3.689 -3.427 2.283 1.00 0.00 S ATOM 331 CE MET A 25 -2.196 -3.126 3.224 1.00 0.00 C ATOM 0 H MET A 25 -7.107 -5.010 5.757 1.00 0.00 H new ATOM 0 HA MET A 25 -5.296 -2.876 6.222 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.856 -4.521 4.514 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.398 -4.226 3.735 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.698 -2.222 2.776 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.467 -1.940 3.991 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.432 -2.707 2.570 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.409 -2.423 4.030 1.00 0.00 H new ATOM 0 HE3 MET A 25 -1.837 -4.064 3.647 1.00 0.00 H new ATOM 339 N ARG A 26 -8.058 -2.102 4.560 1.00 0.00 N ATOM 340 CA ARG A 26 -8.938 -0.993 4.208 1.00 0.00 C ATOM 341 C ARG A 26 -9.356 -0.215 5.452 1.00 0.00 C ATOM 342 O ARG A 26 -9.626 0.984 5.386 1.00 0.00 O ATOM 343 CB ARG A 26 -10.177 -1.510 3.475 1.00 0.00 C ATOM 344 CG ARG A 26 -10.484 -0.757 2.192 1.00 0.00 C ATOM 345 CD ARG A 26 -10.278 -1.635 0.968 1.00 0.00 C ATOM 346 NE ARG A 26 -11.401 -2.544 0.751 1.00 0.00 N ATOM 347 CZ ARG A 26 -11.406 -3.499 -0.173 1.00 0.00 C ATOM 348 NH1 ARG A 26 -10.354 -3.668 -0.961 1.00 0.00 N ATOM 349 NH2 ARG A 26 -12.465 -4.286 -0.309 1.00 0.00 N ATOM 0 H ARG A 26 -8.358 -3.009 4.202 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.389 -0.321 3.548 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.037 -2.566 3.242 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.037 -1.442 4.141 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.514 -0.400 2.216 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.843 0.122 2.123 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.146 -1.005 0.088 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.361 -2.213 1.087 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.226 -2.440 1.341 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.538 -3.064 -0.859 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.360 -4.402 -1.670 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.276 -4.158 0.296 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.468 -5.019 -1.019 1.00 0.00 H new ATOM 360 N HIS A 27 -9.409 -0.907 6.586 1.00 0.00 N ATOM 361 CA HIS A 27 -9.794 -0.281 7.846 1.00 0.00 C ATOM 362 C HIS A 27 -8.775 0.776 8.263 1.00 0.00 C ATOM 363 O HIS A 27 -9.127 1.791 8.863 1.00 0.00 O ATOM 364 CB HIS A 27 -9.929 -1.336 8.944 1.00 0.00 C ATOM 365 CG HIS A 27 -10.199 -0.759 10.300 1.00 0.00 C ATOM 366 ND1 HIS A 27 -10.924 0.397 10.496 1.00 0.00 N ATOM 367 CD2 HIS A 27 -9.836 -1.186 11.532 1.00 0.00 C ATOM 368 CE1 HIS A 27 -10.995 0.657 11.789 1.00 0.00 C ATOM 369 NE2 HIS A 27 -10.343 -0.289 12.440 1.00 0.00 N ATOM 0 H HIS A 27 -9.190 -1.901 6.658 1.00 0.00 H new ATOM 0 HA HIS A 27 -10.758 0.207 7.700 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.736 -2.020 8.682 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.013 -1.925 8.985 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.256 -2.068 11.759 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.500 1.500 12.237 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.234 -0.344 13.453 1.00 0.00 H new ATOM 376 N THR A 28 -7.510 0.530 7.939 1.00 0.00 N ATOM 377 CA THR A 28 -6.440 1.459 8.280 1.00 0.00 C ATOM 378 C THR A 28 -6.550 2.747 7.474 1.00 0.00 C ATOM 379 O THR A 28 -6.330 3.840 7.997 1.00 0.00 O ATOM 380 CB THR A 28 -5.053 0.832 8.038 1.00 0.00 C ATOM 381 OG1 THR A 28 -5.077 -0.558 8.382 1.00 0.00 O ATOM 382 CG2 THR A 28 -3.987 1.543 8.858 1.00 0.00 C ATOM 0 H THR A 28 -7.201 -0.305 7.441 1.00 0.00 H new ATOM 0 HA THR A 28 -6.548 1.688 9.340 1.00 0.00 H new ATOM 0 HB THR A 28 -4.809 0.941 6.981 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.163 -0.912 8.378 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.017 1.083 8.671 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.951 2.595 8.574 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.229 1.461 9.918 1.00 0.00 H new ATOM 390 N ILE A 29 -6.894 2.612 6.197 1.00 0.00 N ATOM 391 CA ILE A 29 -7.036 3.766 5.318 1.00 0.00 C ATOM 392 C ILE A 29 -8.302 4.550 5.642 1.00 0.00 C ATOM 393 O ILE A 29 -8.264 5.767 5.823 1.00 0.00 O ATOM 394 CB ILE A 29 -7.070 3.345 3.837 1.00 0.00 C ATOM 395 CG1 ILE A 29 -5.759 2.657 3.449 1.00 0.00 C ATOM 396 CG2 ILE A 29 -7.322 4.554 2.949 1.00 0.00 C ATOM 397 CD1 ILE A 29 -5.752 1.170 3.730 1.00 0.00 C ATOM 0 H ILE A 29 -7.079 1.715 5.749 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.166 4.400 5.486 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.886 2.637 3.695 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.573 2.819 2.387 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.938 3.125 3.991 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.343 4.241 1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.279 5.006 3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.525 5.283 3.093 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.793 0.748 3.431 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.906 1.000 4.796 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.552 0.689 3.166 1.00 0.00 H new ATOM 408 N GLY A 30 -9.427 3.844 5.715 1.00 0.00 N ATOM 409 CA GLY A 30 -10.691 4.491 6.019 1.00 0.00 C ATOM 410 C GLY A 30 -10.630 5.313 7.290 1.00 0.00 C ATOM 411 O GLY A 30 -11.100 6.450 7.323 1.00 0.00 O ATOM 0 H GLY A 30 -9.486 2.836 5.569 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.975 5.135 5.187 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.469 3.734 6.117 1.00 0.00 H new ATOM 415 N GLN A 31 -10.053 4.736 8.339 1.00 0.00 N ATOM 416 CA GLN A 31 -9.936 5.422 9.620 1.00 0.00 C ATOM 417 C GLN A 31 -8.881 6.522 9.554 1.00 0.00 C ATOM 418 O GLN A 31 -9.016 7.564 10.194 1.00 0.00 O ATOM 419 CB GLN A 31 -9.583 4.427 10.726 1.00 0.00 C ATOM 420 CG GLN A 31 -10.795 3.876 11.459 1.00 0.00 C ATOM 421 CD GLN A 31 -11.644 4.967 12.085 1.00 0.00 C ATOM 422 OE1 GLN A 31 -12.767 5.221 11.649 1.00 0.00 O ATOM 423 NE2 GLN A 31 -11.110 5.617 13.112 1.00 0.00 N ATOM 0 H GLN A 31 -9.659 3.795 8.327 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.899 5.880 9.847 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.023 3.598 10.292 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.925 4.914 11.445 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.405 3.300 10.763 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.463 3.188 12.236 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.176 5.373 13.440 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.634 6.361 13.573 1.00 0.00 H new ATOM 430 N ALA A 32 -7.832 6.283 8.774 1.00 0.00 N ATOM 431 CA ALA A 32 -6.755 7.253 8.623 1.00 0.00 C ATOM 432 C ALA A 32 -7.249 8.518 7.928 1.00 0.00 C ATOM 433 O ALA A 32 -6.994 9.629 8.388 1.00 0.00 O ATOM 434 CB ALA A 32 -5.597 6.641 7.849 1.00 0.00 C ATOM 0 H ALA A 32 -7.705 5.425 8.237 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.406 7.529 9.618 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.800 7.377 7.744 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.219 5.771 8.387 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.941 6.335 6.861 1.00 0.00 H new ATOM 440 N GLU A 33 -7.957 8.338 6.817 1.00 0.00 N ATOM 441 CA GLU A 33 -8.485 9.466 6.058 1.00 0.00 C ATOM 442 C GLU A 33 -9.430 10.303 6.914 1.00 0.00 C ATOM 443 O GLU A 33 -9.273 11.519 7.023 1.00 0.00 O ATOM 444 CB GLU A 33 -9.215 8.971 4.808 1.00 0.00 C ATOM 445 CG GLU A 33 -8.281 8.521 3.696 1.00 0.00 C ATOM 446 CD GLU A 33 -7.428 9.654 3.158 1.00 0.00 C ATOM 447 OE1 GLU A 33 -7.784 10.827 3.392 1.00 0.00 O ATOM 448 OE2 GLU A 33 -6.405 9.366 2.503 1.00 0.00 O ATOM 0 H GLU A 33 -8.178 7.423 6.423 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.646 10.092 5.756 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.866 8.141 5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.856 9.768 4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.633 7.728 4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.869 8.095 2.883 1.00 0.00 H new ATOM 658 N PHE A 51 -3.777 20.024 0.335 1.00 0.00 N ATOM 659 CA PHE A 51 -4.319 18.758 0.816 1.00 0.00 C ATOM 660 C PHE A 51 -4.923 17.955 -0.332 1.00 0.00 C ATOM 661 O PHE A 51 -4.861 16.726 -0.343 1.00 0.00 O ATOM 662 CB PHE A 51 -5.377 19.007 1.892 1.00 0.00 C ATOM 663 CG PHE A 51 -6.118 17.766 2.303 1.00 0.00 C ATOM 664 CD1 PHE A 51 -7.264 17.374 1.630 1.00 0.00 C ATOM 665 CD2 PHE A 51 -5.669 16.993 3.360 1.00 0.00 C ATOM 666 CE1 PHE A 51 -7.948 16.234 2.005 1.00 0.00 C ATOM 667 CE2 PHE A 51 -6.349 15.852 3.740 1.00 0.00 C ATOM 668 CZ PHE A 51 -7.490 15.471 3.061 1.00 0.00 C ATOM 0 HA PHE A 51 -3.501 18.182 1.249 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.897 19.441 2.769 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.092 19.742 1.524 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.627 17.966 0.803 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.777 17.285 3.894 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.840 15.940 1.473 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.989 15.258 4.567 1.00 0.00 H new ATOM 0 HZ PHE A 51 -8.023 14.579 3.355 1.00 0.00 H new ATOM 677 N GLN A 52 -5.510 18.659 -1.295 1.00 0.00 N ATOM 678 CA GLN A 52 -6.127 18.012 -2.446 1.00 0.00 C ATOM 679 C GLN A 52 -5.090 17.248 -3.263 1.00 0.00 C ATOM 680 O GLN A 52 -5.249 16.058 -3.529 1.00 0.00 O ATOM 681 CB GLN A 52 -6.825 19.049 -3.328 1.00 0.00 C ATOM 682 CG GLN A 52 -7.271 18.503 -4.675 1.00 0.00 C ATOM 683 CD GLN A 52 -8.721 18.816 -4.980 1.00 0.00 C ATOM 684 OE1 GLN A 52 -9.299 19.749 -4.420 1.00 0.00 O ATOM 685 NE2 GLN A 52 -9.321 18.037 -5.874 1.00 0.00 N ATOM 0 H GLN A 52 -5.571 19.677 -1.300 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.867 17.302 -2.077 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.694 19.438 -2.798 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.149 19.888 -3.492 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.640 18.922 -5.459 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.125 17.423 -4.691 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.805 17.275 -6.314 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.297 18.201 -6.120 1.00 0.00 H new ATOM 692 N ALA A 53 -4.028 17.943 -3.659 1.00 0.00 N ATOM 693 CA ALA A 53 -2.964 17.329 -4.444 1.00 0.00 C ATOM 694 C ALA A 53 -2.466 16.047 -3.786 1.00 0.00 C ATOM 695 O ALA A 53 -2.394 14.998 -4.426 1.00 0.00 O ATOM 696 CB ALA A 53 -1.816 18.310 -4.633 1.00 0.00 C ATOM 0 H ALA A 53 -3.882 18.930 -3.449 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.370 17.069 -5.422 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.028 17.839 -5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.177 19.197 -5.154 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.419 18.598 -3.659 1.00 0.00 H new ATOM 702 N ALA A 54 -2.122 16.140 -2.506 1.00 0.00 N ATOM 703 CA ALA A 54 -1.632 14.986 -1.762 1.00 0.00 C ATOM 704 C ALA A 54 -2.715 13.921 -1.624 1.00 0.00 C ATOM 705 O ALA A 54 -2.436 12.724 -1.706 1.00 0.00 O ATOM 706 CB ALA A 54 -1.134 15.417 -0.390 1.00 0.00 C ATOM 0 H ALA A 54 -2.173 17.002 -1.963 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.802 14.551 -2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.771 14.546 0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.323 16.136 -0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.951 15.878 0.165 1.00 0.00 H new ATOM 712 N HIS A 55 -3.950 14.363 -1.412 1.00 0.00 N ATOM 713 CA HIS A 55 -5.075 13.446 -1.263 1.00 0.00 C ATOM 714 C HIS A 55 -5.310 12.660 -2.550 1.00 0.00 C ATOM 715 O HIS A 55 -5.668 11.483 -2.511 1.00 0.00 O ATOM 716 CB HIS A 55 -6.341 14.217 -0.885 1.00 0.00 C ATOM 717 CG HIS A 55 -7.561 13.354 -0.787 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.153 13.023 0.413 1.00 0.00 N ATOM 719 CD2 HIS A 55 -8.300 12.753 -1.748 1.00 0.00 C ATOM 720 CE1 HIS A 55 -9.205 12.255 0.185 1.00 0.00 C ATOM 721 NE2 HIS A 55 -9.315 12.076 -1.119 1.00 0.00 N ATOM 0 H HIS A 55 -4.198 15.350 -1.339 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.835 12.742 -0.467 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.181 14.716 0.071 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.516 14.997 -1.626 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.124 12.798 -2.813 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.862 11.844 0.937 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.037 11.524 -1.583 1.00 0.00 H new ATOM 728 N ALA A 56 -5.104 13.318 -3.686 1.00 0.00 N ATOM 729 CA ALA A 56 -5.292 12.680 -4.983 1.00 0.00 C ATOM 730 C ALA A 56 -4.180 11.675 -5.267 1.00 0.00 C ATOM 731 O ALA A 56 -4.395 10.674 -5.951 1.00 0.00 O ATOM 732 CB ALA A 56 -5.353 13.728 -6.083 1.00 0.00 C ATOM 0 H ALA A 56 -4.807 14.293 -3.734 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.238 12.139 -4.960 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.494 13.237 -7.046 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.187 14.404 -5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.422 14.295 -6.097 1.00 0.00 H new ATOM 738 N ARG A 57 -2.993 11.949 -4.737 1.00 0.00 N ATOM 739 CA ARG A 57 -1.846 11.071 -4.935 1.00 0.00 C ATOM 740 C ARG A 57 -2.063 9.729 -4.241 1.00 0.00 C ATOM 741 O ARG A 57 -1.630 8.687 -4.731 1.00 0.00 O ATOM 742 CB ARG A 57 -0.573 11.731 -4.406 1.00 0.00 C ATOM 743 CG ARG A 57 -0.008 12.796 -5.332 1.00 0.00 C ATOM 744 CD ARG A 57 1.273 13.396 -4.776 1.00 0.00 C ATOM 745 NE ARG A 57 2.287 13.578 -5.813 1.00 0.00 N ATOM 746 CZ ARG A 57 3.334 14.385 -5.683 1.00 0.00 C ATOM 747 NH1 ARG A 57 3.505 15.079 -4.566 1.00 0.00 N ATOM 748 NH2 ARG A 57 4.213 14.497 -6.671 1.00 0.00 N ATOM 0 H ARG A 57 -2.800 12.772 -4.167 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.736 10.894 -6.005 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.783 12.180 -3.435 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.184 10.963 -4.245 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.188 12.361 -6.312 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.747 13.584 -5.476 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.052 14.357 -4.312 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.667 12.748 -3.993 1.00 0.00 H new ATOM 0 HE ARG A 57 2.185 13.057 -6.684 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.832 14.994 -3.804 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.310 15.698 -4.468 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.085 13.963 -7.531 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.017 15.117 -6.571 1.00 0.00 H new ATOM 759 N PHE A 58 -2.735 9.764 -3.095 1.00 0.00 N ATOM 760 CA PHE A 58 -3.009 8.552 -2.331 1.00 0.00 C ATOM 761 C PHE A 58 -4.020 7.668 -3.057 1.00 0.00 C ATOM 762 O PHE A 58 -3.761 6.492 -3.313 1.00 0.00 O ATOM 763 CB PHE A 58 -3.533 8.908 -0.938 1.00 0.00 C ATOM 764 CG PHE A 58 -3.918 7.710 -0.119 1.00 0.00 C ATOM 765 CD1 PHE A 58 -2.950 6.941 0.506 1.00 0.00 C ATOM 766 CD2 PHE A 58 -5.248 7.353 0.027 1.00 0.00 C ATOM 767 CE1 PHE A 58 -3.301 5.837 1.262 1.00 0.00 C ATOM 768 CE2 PHE A 58 -5.606 6.252 0.781 1.00 0.00 C ATOM 769 CZ PHE A 58 -4.631 5.492 1.398 1.00 0.00 C ATOM 0 H PHE A 58 -3.100 10.619 -2.675 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.076 7.998 -2.229 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.769 9.473 -0.404 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.399 9.562 -1.040 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.908 7.207 0.402 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.015 7.942 -0.454 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.537 5.246 1.745 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.647 5.986 0.888 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.909 4.630 1.986 1.00 0.00 H new ATOM 778 N VAL A 59 -5.172 8.244 -3.385 1.00 0.00 N ATOM 779 CA VAL A 59 -6.223 7.511 -4.080 1.00 0.00 C ATOM 780 C VAL A 59 -5.701 6.903 -5.377 1.00 0.00 C ATOM 781 O VAL A 59 -6.125 5.821 -5.781 1.00 0.00 O ATOM 782 CB VAL A 59 -7.425 8.420 -4.399 1.00 0.00 C ATOM 783 CG1 VAL A 59 -6.960 9.710 -5.055 1.00 0.00 C ATOM 784 CG2 VAL A 59 -8.423 7.691 -5.286 1.00 0.00 C ATOM 0 H VAL A 59 -5.401 9.217 -3.180 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.548 6.713 -3.412 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.923 8.676 -3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.823 10.339 -5.273 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.286 10.239 -4.381 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.437 9.478 -5.983 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.266 8.348 -5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.939 7.404 -6.219 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.781 6.798 -4.774 1.00 0.00 H new ATOM 794 N ALA A 60 -4.778 7.606 -6.025 1.00 0.00 N ATOM 795 CA ALA A 60 -4.196 7.134 -7.276 1.00 0.00 C ATOM 796 C ALA A 60 -3.456 5.816 -7.073 1.00 0.00 C ATOM 797 O ALA A 60 -3.578 4.895 -7.880 1.00 0.00 O ATOM 798 CB ALA A 60 -3.260 8.185 -7.851 1.00 0.00 C ATOM 0 H ALA A 60 -4.417 8.505 -5.705 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.007 6.960 -7.984 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.832 7.820 -8.785 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.816 9.103 -8.041 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.459 8.387 -7.140 1.00 0.00 H new ATOM 804 N ALA A 61 -2.687 5.734 -5.993 1.00 0.00 N ATOM 805 CA ALA A 61 -1.928 4.529 -5.684 1.00 0.00 C ATOM 806 C ALA A 61 -2.819 3.465 -5.053 1.00 0.00 C ATOM 807 O ALA A 61 -2.643 2.272 -5.295 1.00 0.00 O ATOM 808 CB ALA A 61 -0.764 4.860 -4.763 1.00 0.00 C ATOM 0 H ALA A 61 -2.573 6.489 -5.316 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.535 4.128 -6.618 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.206 3.950 -4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.106 5.579 -5.252 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.144 5.288 -3.836 1.00 0.00 H new ATOM 814 N ALA A 62 -3.775 3.906 -4.241 1.00 0.00 N ATOM 815 CA ALA A 62 -4.694 2.991 -3.576 1.00 0.00 C ATOM 816 C ALA A 62 -5.359 2.055 -4.580 1.00 0.00 C ATOM 817 O ALA A 62 -5.682 0.913 -4.257 1.00 0.00 O ATOM 818 CB ALA A 62 -5.746 3.771 -2.802 1.00 0.00 C ATOM 0 H ALA A 62 -3.933 4.891 -4.028 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.120 2.383 -2.877 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.426 3.075 -2.310 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.259 4.394 -2.052 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.308 4.404 -3.489 1.00 0.00 H new ATOM 824 N ALA A 63 -5.561 2.547 -5.798 1.00 0.00 N ATOM 825 CA ALA A 63 -6.187 1.754 -6.848 1.00 0.00 C ATOM 826 C ALA A 63 -5.315 0.561 -7.228 1.00 0.00 C ATOM 827 O ALA A 63 -5.822 -0.497 -7.601 1.00 0.00 O ATOM 828 CB ALA A 63 -6.462 2.619 -8.069 1.00 0.00 C ATOM 0 H ALA A 63 -5.300 3.491 -6.082 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.134 1.372 -6.466 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.930 2.014 -8.846 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.130 3.435 -7.794 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.524 3.028 -8.444 1.00 0.00 H new ATOM 834 N LYS A 64 -4.002 0.738 -7.130 1.00 0.00 N ATOM 835 CA LYS A 64 -3.058 -0.323 -7.462 1.00 0.00 C ATOM 836 C LYS A 64 -3.035 -1.390 -6.372 1.00 0.00 C ATOM 837 O LYS A 64 -3.197 -2.578 -6.650 1.00 0.00 O ATOM 838 CB LYS A 64 -1.656 0.256 -7.655 1.00 0.00 C ATOM 839 CG LYS A 64 -0.909 -0.341 -8.835 1.00 0.00 C ATOM 840 CD LYS A 64 -0.816 -1.854 -8.728 1.00 0.00 C ATOM 841 CE LYS A 64 -0.121 -2.457 -9.939 1.00 0.00 C ATOM 842 NZ LYS A 64 -0.720 -1.981 -11.217 1.00 0.00 N ATOM 0 H LYS A 64 -3.567 1.608 -6.823 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.383 -0.787 -8.393 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.733 1.335 -7.793 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.076 0.091 -6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.416 -0.071 -9.762 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.094 0.084 -8.885 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.271 -2.123 -7.823 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.817 -2.275 -8.634 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.938 -2.199 -9.916 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.185 -3.544 -9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.430 -2.611 -11.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.757 -1.985 -11.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.392 -1.014 -11.415 1.00 0.00 H new ATOM 852 N VAL A 65 -2.834 -0.958 -5.132 1.00 0.00 N ATOM 853 CA VAL A 65 -2.791 -1.876 -4.000 1.00 0.00 C ATOM 854 C VAL A 65 -4.133 -2.573 -3.807 1.00 0.00 C ATOM 855 O VAL A 65 -4.190 -3.718 -3.360 1.00 0.00 O ATOM 856 CB VAL A 65 -2.413 -1.144 -2.698 1.00 0.00 C ATOM 857 CG1 VAL A 65 -3.429 -0.056 -2.383 1.00 0.00 C ATOM 858 CG2 VAL A 65 -2.303 -2.131 -1.546 1.00 0.00 C ATOM 0 H VAL A 65 -2.698 0.022 -4.885 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.027 -2.620 -4.225 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.441 -0.671 -2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.146 0.450 -1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.454 0.666 -3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.416 -0.503 -2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.035 -1.597 -0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.260 -2.634 -1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.535 -2.870 -1.772 1.00 0.00 H new ATOM 868 N ASN A 66 -5.211 -1.875 -4.149 1.00 0.00 N ATOM 869 CA ASN A 66 -6.554 -2.428 -4.013 1.00 0.00 C ATOM 870 C ASN A 66 -6.789 -3.540 -5.031 1.00 0.00 C ATOM 871 O ASN A 66 -7.179 -4.652 -4.675 1.00 0.00 O ATOM 872 CB ASN A 66 -7.601 -1.327 -4.192 1.00 0.00 C ATOM 873 CG ASN A 66 -8.950 -1.875 -4.616 1.00 0.00 C ATOM 874 OD1 ASN A 66 -9.802 -2.173 -3.779 1.00 0.00 O ATOM 875 ND2 ASN A 66 -9.150 -2.013 -5.921 1.00 0.00 N ATOM 0 H ASN A 66 -5.181 -0.926 -4.522 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.648 -2.850 -3.012 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.712 -0.780 -3.256 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.251 -0.614 -4.938 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.038 -2.379 -6.265 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.416 -1.753 -6.580 1.00 0.00 H new ATOM 881 N THR A 67 -6.550 -3.231 -6.303 1.00 0.00 N ATOM 882 CA THR A 67 -6.736 -4.203 -7.372 1.00 0.00 C ATOM 883 C THR A 67 -5.922 -5.466 -7.116 1.00 0.00 C ATOM 884 O THR A 67 -6.429 -6.581 -7.251 1.00 0.00 O ATOM 885 CB THR A 67 -6.335 -3.617 -8.739 1.00 0.00 C ATOM 886 OG1 THR A 67 -7.156 -2.485 -9.047 1.00 0.00 O ATOM 887 CG2 THR A 67 -6.471 -4.662 -9.837 1.00 0.00 C ATOM 0 H THR A 67 -6.227 -2.315 -6.616 1.00 0.00 H new ATOM 0 HA THR A 67 -7.796 -4.455 -7.389 1.00 0.00 H new ATOM 0 HB THR A 67 -5.292 -3.305 -8.683 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.801 -1.691 -8.595 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.182 -4.225 -10.793 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.823 -5.510 -9.615 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.506 -5.001 -9.891 1.00 0.00 H new ATOM 895 N LEU A 68 -4.660 -5.286 -6.745 1.00 0.00 N ATOM 896 CA LEU A 68 -3.775 -6.413 -6.469 1.00 0.00 C ATOM 897 C LEU A 68 -4.344 -7.291 -5.359 1.00 0.00 C ATOM 898 O LEU A 68 -4.194 -8.514 -5.382 1.00 0.00 O ATOM 899 CB LEU A 68 -2.385 -5.910 -6.075 1.00 0.00 C ATOM 900 CG LEU A 68 -1.604 -5.175 -7.165 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.475 -4.360 -6.554 1.00 0.00 C ATOM 902 CD2 LEU A 68 -1.059 -6.162 -8.187 1.00 0.00 C ATOM 0 H LEU A 68 -4.226 -4.371 -6.628 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.694 -7.012 -7.376 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.491 -5.243 -5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.792 -6.763 -5.743 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.283 -4.492 -7.675 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.070 -3.844 -7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.889 -3.628 -5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.204 -5.023 -6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.506 -5.622 -8.955 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.394 -6.869 -7.691 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.886 -6.703 -8.647 1.00 0.00 H new ATOM 913 N LEU A 69 -4.997 -6.661 -4.388 1.00 0.00 N ATOM 914 CA LEU A 69 -5.591 -7.386 -3.271 1.00 0.00 C ATOM 915 C LEU A 69 -6.630 -8.389 -3.761 1.00 0.00 C ATOM 916 O LEU A 69 -6.649 -9.541 -3.328 1.00 0.00 O ATOM 917 CB LEU A 69 -6.234 -6.407 -2.286 1.00 0.00 C ATOM 918 CG LEU A 69 -5.580 -6.313 -0.908 1.00 0.00 C ATOM 919 CD1 LEU A 69 -6.356 -5.360 -0.012 1.00 0.00 C ATOM 920 CD2 LEU A 69 -5.482 -7.690 -0.269 1.00 0.00 C ATOM 0 H LEU A 69 -5.128 -5.650 -4.352 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.797 -7.934 -2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.229 -5.414 -2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.278 -6.691 -2.152 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.571 -5.920 -1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.875 -5.306 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.372 -4.368 -0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.377 -5.722 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.014 -7.604 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.481 -8.112 -0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.881 -8.343 -0.902 1.00 0.00 H new ATOM 931 N ASP A 70 -7.492 -7.942 -4.669 1.00 0.00 N ATOM 932 CA ASP A 70 -8.533 -8.801 -5.221 1.00 0.00 C ATOM 933 C ASP A 70 -7.923 -9.930 -6.047 1.00 0.00 C ATOM 934 O ASP A 70 -8.425 -11.055 -6.045 1.00 0.00 O ATOM 935 CB ASP A 70 -9.494 -7.982 -6.085 1.00 0.00 C ATOM 936 CG ASP A 70 -10.891 -8.572 -6.114 1.00 0.00 C ATOM 937 OD1 ASP A 70 -11.049 -9.743 -5.711 1.00 0.00 O ATOM 938 OD2 ASP A 70 -11.825 -7.861 -6.541 1.00 0.00 O ATOM 0 H ASP A 70 -7.490 -6.991 -5.038 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.087 -9.240 -4.391 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.541 -6.962 -5.704 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.105 -7.925 -7.102 1.00 0.00 H new ATOM 942 N VAL A 71 -6.841 -9.623 -6.754 1.00 0.00 N ATOM 943 CA VAL A 71 -6.163 -10.612 -7.584 1.00 0.00 C ATOM 944 C VAL A 71 -5.458 -11.658 -6.727 1.00 0.00 C ATOM 945 O VAL A 71 -5.362 -12.824 -7.108 1.00 0.00 O ATOM 946 CB VAL A 71 -5.132 -9.949 -8.517 1.00 0.00 C ATOM 947 CG1 VAL A 71 -4.546 -10.972 -9.476 1.00 0.00 C ATOM 948 CG2 VAL A 71 -5.767 -8.795 -9.278 1.00 0.00 C ATOM 0 H VAL A 71 -6.414 -8.697 -6.769 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.929 -11.098 -8.188 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.320 -9.550 -7.909 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.820 -10.486 -10.127 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.053 -11.762 -8.909 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.344 -11.403 -10.080 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.024 -8.338 -9.932 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.598 -9.168 -9.877 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.134 -8.051 -8.571 1.00 0.00 H new ATOM 958 N ALA A 72 -4.968 -11.233 -5.567 1.00 0.00 N ATOM 959 CA ALA A 72 -4.274 -12.134 -4.656 1.00 0.00 C ATOM 960 C ALA A 72 -5.204 -13.236 -4.159 1.00 0.00 C ATOM 961 O ALA A 72 -4.856 -14.416 -4.196 1.00 0.00 O ATOM 962 CB ALA A 72 -3.699 -11.357 -3.481 1.00 0.00 C ATOM 0 H ALA A 72 -5.039 -10.271 -5.236 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.456 -12.604 -5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.183 -12.043 -2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.995 -10.611 -3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.507 -10.860 -2.943 1.00 0.00 H new ATOM 968 N GLN A 73 -6.386 -12.842 -3.697 1.00 0.00 N ATOM 969 CA GLN A 73 -7.365 -13.798 -3.192 1.00 0.00 C ATOM 970 C GLN A 73 -7.948 -14.630 -4.328 1.00 0.00 C ATOM 971 O GLN A 73 -8.245 -15.812 -4.155 1.00 0.00 O ATOM 972 CB GLN A 73 -8.485 -13.068 -2.450 1.00 0.00 C ATOM 973 CG GLN A 73 -7.991 -12.194 -1.308 1.00 0.00 C ATOM 974 CD GLN A 73 -9.123 -11.609 -0.488 1.00 0.00 C ATOM 975 OE1 GLN A 73 -9.504 -10.452 -0.670 1.00 0.00 O ATOM 976 NE2 GLN A 73 -9.670 -12.407 0.422 1.00 0.00 N ATOM 0 H GLN A 73 -6.689 -11.869 -3.662 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.858 -14.469 -2.499 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.035 -12.449 -3.158 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.187 -13.803 -2.056 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.344 -12.783 -0.658 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.384 -11.384 -1.712 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.323 -13.359 0.540 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.437 -12.068 1.003 1.00 0.00 H new ATOM 983 N ALA A 74 -8.113 -14.005 -5.489 1.00 0.00 N ATOM 984 CA ALA A 74 -8.660 -14.689 -6.655 1.00 0.00 C ATOM 985 C ALA A 74 -7.676 -15.718 -7.199 1.00 0.00 C ATOM 986 O ALA A 74 -8.076 -16.771 -7.695 1.00 0.00 O ATOM 987 CB ALA A 74 -9.024 -13.681 -7.734 1.00 0.00 C ATOM 0 H ALA A 74 -7.876 -13.026 -5.648 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.563 -15.217 -6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.431 -14.205 -8.599 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.769 -12.986 -7.347 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.133 -13.128 -8.031 1.00 0.00 H new ATOM 993 N ASN A 75 -6.387 -15.407 -7.105 1.00 0.00 N ATOM 994 CA ASN A 75 -5.346 -16.306 -7.589 1.00 0.00 C ATOM 995 C ASN A 75 -5.117 -17.452 -6.610 1.00 0.00 C ATOM 996 O ASN A 75 -4.934 -18.602 -7.014 1.00 0.00 O ATOM 997 CB ASN A 75 -4.041 -15.537 -7.806 1.00 0.00 C ATOM 998 CG ASN A 75 -3.953 -14.925 -9.190 1.00 0.00 C ATOM 999 OD1 ASN A 75 -2.980 -15.134 -9.914 1.00 0.00 O ATOM 1000 ND2 ASN A 75 -4.973 -14.161 -9.565 1.00 0.00 N ATOM 0 H ASN A 75 -6.039 -14.539 -6.698 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.676 -16.726 -8.539 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.958 -14.749 -7.058 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.197 -16.210 -7.655 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.969 -13.721 -10.485 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.760 -14.014 -8.933 1.00 0.00 H new ATOM 1006 N LEU A 76 -5.130 -17.133 -5.321 1.00 0.00 N ATOM 1007 CA LEU A 76 -4.925 -18.137 -4.282 1.00 0.00 C ATOM 1008 C LEU A 76 -6.158 -19.022 -4.130 1.00 0.00 C ATOM 1009 O LEU A 76 -6.050 -20.204 -3.804 1.00 0.00 O ATOM 1010 CB LEU A 76 -4.601 -17.461 -2.949 1.00 0.00 C ATOM 1011 CG LEU A 76 -3.279 -16.695 -2.889 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -3.192 -15.880 -1.608 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -2.102 -17.654 -2.994 1.00 0.00 C ATOM 0 H LEU A 76 -5.280 -16.187 -4.970 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.084 -18.764 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.409 -16.770 -2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.592 -18.224 -2.170 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.240 -16.009 -3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.245 -15.342 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.016 -15.167 -1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.253 -16.547 -0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.169 -17.092 -2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.137 -18.365 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.156 -18.194 -3.940 1.00 0.00 H new ATOM 1024 N GLY A 77 -7.330 -18.443 -4.369 1.00 0.00 N ATOM 1025 CA GLY A 77 -8.567 -19.194 -4.256 1.00 0.00 C ATOM 1026 C GLY A 77 -8.999 -19.385 -2.816 1.00 0.00 C ATOM 1027 O GLY A 77 -10.035 -18.869 -2.399 1.00 0.00 O ATOM 0 H GLY A 77 -7.445 -17.466 -4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.355 -18.675 -4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.441 -20.169 -4.727 1.00 0.00 H new ATOM 1031 N GLU A 78 -8.203 -20.131 -2.054 1.00 0.00 N ATOM 1032 CA GLU A 78 -8.512 -20.390 -0.653 1.00 0.00 C ATOM 1033 C GLU A 78 -8.659 -19.084 0.122 1.00 0.00 C ATOM 1034 O GLU A 78 -9.513 -18.964 0.999 1.00 0.00 O ATOM 1035 CB GLU A 78 -7.418 -21.252 -0.018 1.00 0.00 C ATOM 1036 CG GLU A 78 -7.858 -22.678 0.271 1.00 0.00 C ATOM 1037 CD GLU A 78 -6.808 -23.471 1.023 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -6.508 -23.110 2.181 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -6.285 -24.452 0.455 1.00 0.00 O ATOM 0 H GLU A 78 -7.341 -20.565 -2.384 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.460 -20.927 -0.609 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.554 -21.275 -0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.093 -20.785 0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.779 -22.659 0.853 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.085 -23.182 -0.669 1.00 0.00 H new ATOM 1044 N ALA A 79 -7.818 -18.108 -0.208 1.00 0.00 N ATOM 1045 CA ALA A 79 -7.855 -16.812 0.457 1.00 0.00 C ATOM 1046 C ALA A 79 -9.254 -16.209 0.405 1.00 0.00 C ATOM 1047 O ALA A 79 -9.838 -15.883 1.440 1.00 0.00 O ATOM 1048 CB ALA A 79 -6.847 -15.865 -0.179 1.00 0.00 C ATOM 0 H ALA A 79 -7.104 -18.191 -0.931 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.590 -16.960 1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.885 -14.900 0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.845 -16.284 -0.087 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.088 -15.731 -1.233 1.00 0.00 H new ATOM 1533 N ALA B 620 2.060 12.300 9.941 1.00 0.00 N ATOM 1534 CA ALA B 620 2.866 11.401 9.125 1.00 0.00 C ATOM 1535 C ALA B 620 2.997 10.031 9.784 1.00 0.00 C ATOM 1536 O ALA B 620 3.111 9.012 9.104 1.00 0.00 O ATOM 1537 CB ALA B 620 4.241 12.003 8.877 1.00 0.00 C ATOM 0 HA ALA B 620 2.362 11.268 8.168 1.00 0.00 H new ATOM 0 HB1 ALA B 620 4.832 11.321 8.266 1.00 0.00 H new ATOM 0 HB2 ALA B 620 4.133 12.955 8.357 1.00 0.00 H new ATOM 0 HB3 ALA B 620 4.744 12.165 9.830 1.00 0.00 H new ATOM 1543 N GLY B 621 2.982 10.015 11.114 1.00 0.00 N ATOM 1544 CA GLY B 621 3.102 8.765 11.842 1.00 0.00 C ATOM 1545 C GLY B 621 2.067 7.744 11.414 1.00 0.00 C ATOM 1546 O GLY B 621 2.337 6.543 11.404 1.00 0.00 O ATOM 0 H GLY B 621 2.889 10.845 11.700 1.00 0.00 H new ATOM 0 HA2 GLY B 621 4.099 8.353 11.689 1.00 0.00 H new ATOM 0 HA3 GLY B 621 2.998 8.958 12.910 1.00 0.00 H new ATOM 1550 N TYR B 622 0.879 8.221 11.062 1.00 0.00 N ATOM 1551 CA TYR B 622 -0.203 7.340 10.635 1.00 0.00 C ATOM 1552 C TYR B 622 0.194 6.552 9.391 1.00 0.00 C ATOM 1553 O TYR B 622 -0.009 5.341 9.318 1.00 0.00 O ATOM 1554 CB TYR B 622 -1.469 8.151 10.355 1.00 0.00 C ATOM 1555 CG TYR B 622 -2.708 7.586 11.014 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -2.984 6.226 10.967 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -3.601 8.413 11.683 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -4.115 5.705 11.565 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -4.734 7.902 12.287 1.00 0.00 C ATOM 1560 CZ TYR B 622 -4.986 6.547 12.225 1.00 0.00 C ATOM 1561 OH TYR B 622 -6.113 6.032 12.824 1.00 0.00 O ATOM 0 H TYR B 622 0.640 9.213 11.064 1.00 0.00 H new ATOM 0 HA TYR B 622 -0.402 6.635 11.442 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -1.319 9.174 10.700 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -1.630 8.198 9.278 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -2.302 5.564 10.454 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -3.406 9.474 11.732 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -4.316 4.645 11.516 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -5.418 8.559 12.804 1.00 0.00 H new ATOM 0 HH TYR B 622 -6.619 6.757 13.246 1.00 0.00 H new ATOM 1570 N ALA B 623 0.765 7.250 8.414 1.00 0.00 N ATOM 1571 CA ALA B 623 1.194 6.617 7.173 1.00 0.00 C ATOM 1572 C ALA B 623 2.077 5.406 7.452 1.00 0.00 C ATOM 1573 O ALA B 623 2.048 4.421 6.716 1.00 0.00 O ATOM 1574 CB ALA B 623 1.930 7.619 6.297 1.00 0.00 C ATOM 0 H ALA B 623 0.941 8.254 8.458 1.00 0.00 H new ATOM 0 HA ALA B 623 0.306 6.272 6.644 1.00 0.00 H new ATOM 0 HB1 ALA B 623 2.245 7.133 5.374 1.00 0.00 H new ATOM 0 HB2 ALA B 623 1.267 8.452 6.061 1.00 0.00 H new ATOM 0 HB3 ALA B 623 2.806 7.992 6.828 1.00 0.00 H new ATOM 1580 N GLY B 624 2.865 5.488 8.520 1.00 0.00 N ATOM 1581 CA GLY B 624 3.747 4.391 8.876 1.00 0.00 C ATOM 1582 C GLY B 624 3.003 3.082 9.052 1.00 0.00 C ATOM 1583 O GLY B 624 3.584 2.005 8.912 1.00 0.00 O ATOM 0 H GLY B 624 2.908 6.293 9.144 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.505 4.273 8.102 1.00 0.00 H new ATOM 0 HA3 GLY B 624 4.270 4.635 9.801 1.00 0.00 H new ATOM 1587 N THR B 625 1.714 3.172 9.361 1.00 0.00 N ATOM 1588 CA THR B 625 0.890 1.988 9.559 1.00 0.00 C ATOM 1589 C THR B 625 0.705 1.222 8.254 1.00 0.00 C ATOM 1590 O THR B 625 0.957 0.018 8.187 1.00 0.00 O ATOM 1591 CB THR B 625 -0.495 2.354 10.126 1.00 0.00 C ATOM 1592 OG1 THR B 625 -0.349 3.254 11.231 1.00 0.00 O ATOM 1593 CG2 THR B 625 -1.243 1.107 10.576 1.00 0.00 C ATOM 0 H THR B 625 1.218 4.055 9.480 1.00 0.00 H new ATOM 0 HA THR B 625 1.413 1.357 10.277 1.00 0.00 H new ATOM 0 HB THR B 625 -1.070 2.838 9.337 1.00 0.00 H new ATOM 0 HG1 THR B 625 -0.215 4.165 10.895 1.00 0.00 H new ATOM 0 HG21 THR B 625 -2.218 1.391 10.973 1.00 0.00 H new ATOM 0 HG22 THR B 625 -1.378 0.437 9.727 1.00 0.00 H new ATOM 0 HG23 THR B 625 -0.670 0.599 11.351 1.00 0.00 H new ATOM 1601 N LEU B 626 0.265 1.926 7.218 1.00 0.00 N ATOM 1602 CA LEU B 626 0.047 1.313 5.912 1.00 0.00 C ATOM 1603 C LEU B 626 1.322 0.648 5.403 1.00 0.00 C ATOM 1604 O LEU B 626 1.273 -0.405 4.769 1.00 0.00 O ATOM 1605 CB LEU B 626 -0.431 2.362 4.907 1.00 0.00 C ATOM 1606 CG LEU B 626 -1.525 3.311 5.397 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -1.956 4.250 4.281 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -2.717 2.525 5.924 1.00 0.00 C ATOM 0 H LEU B 626 0.052 2.923 7.256 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.721 0.548 6.021 1.00 0.00 H new ATOM 0 HB2 LEU B 626 0.428 2.958 4.598 1.00 0.00 H new ATOM 0 HB3 LEU B 626 -0.796 1.846 4.019 1.00 0.00 H new ATOM 0 HG LEU B 626 -1.120 3.910 6.213 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -2.735 4.918 4.648 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -1.100 4.838 3.950 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -2.342 3.668 3.444 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -3.486 3.217 6.268 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -3.122 1.900 5.128 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -2.399 1.894 6.754 1.00 0.00 H new ATOM 1619 N GLN B 627 2.462 1.271 5.687 1.00 0.00 N ATOM 1620 CA GLN B 627 3.750 0.739 5.259 1.00 0.00 C ATOM 1621 C GLN B 627 3.910 -0.715 5.693 1.00 0.00 C ATOM 1622 O GLN B 627 4.224 -1.584 4.881 1.00 0.00 O ATOM 1623 CB GLN B 627 4.890 1.582 5.831 1.00 0.00 C ATOM 1624 CG GLN B 627 6.157 1.541 4.994 1.00 0.00 C ATOM 1625 CD GLN B 627 7.304 0.849 5.705 1.00 0.00 C ATOM 1626 OE1 GLN B 627 7.743 1.286 6.769 1.00 0.00 O ATOM 1627 NE2 GLN B 627 7.796 -0.235 5.118 1.00 0.00 N ATOM 0 H GLN B 627 2.519 2.144 6.211 1.00 0.00 H new ATOM 0 HA GLN B 627 3.788 0.781 4.170 1.00 0.00 H new ATOM 0 HB2 GLN B 627 4.557 2.616 5.920 1.00 0.00 H new ATOM 0 HB3 GLN B 627 5.119 1.233 6.838 1.00 0.00 H new ATOM 0 HG2 GLN B 627 5.952 1.025 4.056 1.00 0.00 H new ATOM 0 HG3 GLN B 627 6.453 2.559 4.740 1.00 0.00 H new ATOM 0 HE21 GLN B 627 7.401 -0.561 4.236 1.00 0.00 H new ATOM 0 HE22 GLN B 627 8.569 -0.742 5.549 1.00 0.00 H new ATOM 1634 N SER B 628 3.692 -0.970 6.979 1.00 0.00 N ATOM 1635 CA SER B 628 3.815 -2.317 7.522 1.00 0.00 C ATOM 1636 C SER B 628 2.612 -3.172 7.138 1.00 0.00 C ATOM 1637 O SER B 628 2.722 -4.388 6.983 1.00 0.00 O ATOM 1638 CB SER B 628 3.953 -2.265 9.046 1.00 0.00 C ATOM 1639 OG SER B 628 5.312 -2.341 9.439 1.00 0.00 O ATOM 0 H SER B 628 3.429 -0.261 7.664 1.00 0.00 H new ATOM 0 HA SER B 628 4.710 -2.771 7.098 1.00 0.00 H new ATOM 0 HB2 SER B 628 3.514 -1.341 9.422 1.00 0.00 H new ATOM 0 HB3 SER B 628 3.396 -3.088 9.493 1.00 0.00 H new ATOM 0 HG SER B 628 5.372 -2.304 10.416 1.00 0.00 H new ATOM 1644 N LEU B 629 1.461 -2.525 6.985 1.00 0.00 N ATOM 1645 CA LEU B 629 0.233 -3.224 6.618 1.00 0.00 C ATOM 1646 C LEU B 629 0.402 -3.959 5.292 1.00 0.00 C ATOM 1647 O LEU B 629 0.104 -5.148 5.188 1.00 0.00 O ATOM 1648 CB LEU B 629 -0.930 -2.236 6.523 1.00 0.00 C ATOM 1649 CG LEU B 629 -2.267 -2.717 7.088 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -2.643 -4.066 6.496 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -2.206 -2.799 8.607 1.00 0.00 C ATOM 0 H LEU B 629 1.352 -1.518 7.109 1.00 0.00 H new ATOM 0 HA LEU B 629 0.015 -3.958 7.394 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -0.647 -1.321 7.043 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -1.074 -1.975 5.475 1.00 0.00 H new ATOM 0 HG LEU B 629 -3.036 -1.995 6.813 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -3.597 -4.392 6.910 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -2.729 -3.977 5.413 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -1.873 -4.798 6.740 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -3.166 -3.143 8.992 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -1.425 -3.499 8.902 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -1.983 -1.813 9.016 1.00 0.00 H new ATOM 1662 N GLY B 630 0.883 -3.242 4.280 1.00 0.00 N ATOM 1663 CA GLY B 630 1.084 -3.843 2.975 1.00 0.00 C ATOM 1664 C GLY B 630 2.096 -4.971 3.006 1.00 0.00 C ATOM 1665 O GLY B 630 1.864 -6.038 2.439 1.00 0.00 O ATOM 0 H GLY B 630 1.137 -2.256 4.341 1.00 0.00 H new ATOM 0 HA2 GLY B 630 0.132 -4.223 2.603 1.00 0.00 H new ATOM 0 HA3 GLY B 630 1.418 -3.078 2.274 1.00 0.00 H new ATOM 1669 N ALA B 631 3.224 -4.733 3.668 1.00 0.00 N ATOM 1670 CA ALA B 631 4.276 -5.737 3.770 1.00 0.00 C ATOM 1671 C ALA B 631 3.747 -7.025 4.393 1.00 0.00 C ATOM 1672 O ALA B 631 4.127 -8.123 3.988 1.00 0.00 O ATOM 1673 CB ALA B 631 5.444 -5.197 4.582 1.00 0.00 C ATOM 0 H ALA B 631 3.432 -3.854 4.141 1.00 0.00 H new ATOM 0 HA ALA B 631 4.623 -5.967 2.763 1.00 0.00 H new ATOM 0 HB1 ALA B 631 6.222 -5.957 4.650 1.00 0.00 H new ATOM 0 HB2 ALA B 631 5.846 -4.309 4.095 1.00 0.00 H new ATOM 0 HB3 ALA B 631 5.102 -4.938 5.584 1.00 0.00 H new ATOM 1679 N GLU B 632 2.869 -6.882 5.381 1.00 0.00 N ATOM 1680 CA GLU B 632 2.289 -8.035 6.060 1.00 0.00 C ATOM 1681 C GLU B 632 1.615 -8.971 5.063 1.00 0.00 C ATOM 1682 O GLU B 632 1.714 -10.194 5.177 1.00 0.00 O ATOM 1683 CB GLU B 632 1.278 -7.580 7.114 1.00 0.00 C ATOM 1684 CG GLU B 632 1.904 -7.256 8.460 1.00 0.00 C ATOM 1685 CD GLU B 632 2.115 -8.489 9.317 1.00 0.00 C ATOM 1686 OE1 GLU B 632 2.647 -9.491 8.795 1.00 0.00 O ATOM 1687 OE2 GLU B 632 1.747 -8.452 10.510 1.00 0.00 O ATOM 0 H GLU B 632 2.544 -5.980 5.729 1.00 0.00 H new ATOM 0 HA GLU B 632 3.096 -8.577 6.553 1.00 0.00 H new ATOM 0 HB2 GLU B 632 0.754 -6.698 6.745 1.00 0.00 H new ATOM 0 HB3 GLU B 632 0.531 -8.362 7.249 1.00 0.00 H new ATOM 0 HG2 GLU B 632 2.862 -6.760 8.301 1.00 0.00 H new ATOM 0 HG3 GLU B 632 1.265 -6.552 8.994 1.00 0.00 H new ATOM 1692 N ILE B 633 0.927 -8.390 4.086 1.00 0.00 N ATOM 1693 CA ILE B 633 0.236 -9.172 3.068 1.00 0.00 C ATOM 1694 C ILE B 633 1.225 -9.794 2.087 1.00 0.00 C ATOM 1695 O ILE B 633 1.139 -10.981 1.773 1.00 0.00 O ATOM 1696 CB ILE B 633 -0.772 -8.310 2.285 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -1.800 -7.697 3.238 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.465 -9.145 1.217 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -2.689 -6.663 2.584 1.00 0.00 C ATOM 0 H ILE B 633 0.833 -7.380 3.978 1.00 0.00 H new ATOM 0 HA ILE B 633 -0.302 -9.964 3.589 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.232 -7.501 1.794 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -2.422 -8.492 3.648 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -1.277 -7.237 4.076 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.174 -8.522 0.672 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -0.722 -9.540 0.524 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -1.996 -9.972 1.689 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -3.393 -6.271 3.318 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -2.076 -5.848 2.198 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -3.240 -7.123 1.763 1.00 0.00 H new ATOM 1710 N ALA B 634 2.164 -8.984 1.609 1.00 0.00 N ATOM 1711 CA ALA B 634 3.172 -9.457 0.667 1.00 0.00 C ATOM 1712 C ALA B 634 3.922 -10.662 1.224 1.00 0.00 C ATOM 1713 O ALA B 634 4.337 -11.547 0.477 1.00 0.00 O ATOM 1714 CB ALA B 634 4.145 -8.336 0.329 1.00 0.00 C ATOM 0 H ALA B 634 2.248 -7.998 1.858 1.00 0.00 H new ATOM 0 HA ALA B 634 2.664 -9.769 -0.245 1.00 0.00 H new ATOM 0 HB1 ALA B 634 4.892 -8.703 -0.375 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.601 -7.505 -0.119 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.640 -7.997 1.239 1.00 0.00 H new ATOM 1720 N VAL B 635 4.095 -10.687 2.542 1.00 0.00 N ATOM 1721 CA VAL B 635 4.795 -11.784 3.199 1.00 0.00 C ATOM 1722 C VAL B 635 3.904 -13.015 3.316 1.00 0.00 C ATOM 1723 O VAL B 635 4.385 -14.147 3.286 1.00 0.00 O ATOM 1724 CB VAL B 635 5.279 -11.380 4.605 1.00 0.00 C ATOM 1725 CG1 VAL B 635 5.990 -12.541 5.281 1.00 0.00 C ATOM 1726 CG2 VAL B 635 6.187 -10.161 4.526 1.00 0.00 C ATOM 0 H VAL B 635 3.760 -9.961 3.175 1.00 0.00 H new ATOM 0 HA VAL B 635 5.659 -12.022 2.579 1.00 0.00 H new ATOM 0 HB VAL B 635 4.409 -11.119 5.208 1.00 0.00 H new ATOM 0 HG11 VAL B 635 6.324 -12.235 6.273 1.00 0.00 H new ATOM 0 HG12 VAL B 635 5.305 -13.384 5.373 1.00 0.00 H new ATOM 0 HG13 VAL B 635 6.852 -12.838 4.683 1.00 0.00 H new ATOM 0 HG21 VAL B 635 6.520 -9.889 5.528 1.00 0.00 H new ATOM 0 HG22 VAL B 635 7.053 -10.392 3.906 1.00 0.00 H new ATOM 0 HG23 VAL B 635 5.639 -9.327 4.087 1.00 0.00 H new ATOM 1736 N GLU B 636 2.602 -12.785 3.447 1.00 0.00 N ATOM 1737 CA GLU B 636 1.642 -13.877 3.569 1.00 0.00 C ATOM 1738 C GLU B 636 1.475 -14.603 2.238 1.00 0.00 C ATOM 1739 O GLU B 636 1.605 -15.825 2.166 1.00 0.00 O ATOM 1740 CB GLU B 636 0.289 -13.345 4.046 1.00 0.00 C ATOM 1741 CG GLU B 636 -0.013 -13.665 5.501 1.00 0.00 C ATOM 1742 CD GLU B 636 -0.457 -15.101 5.702 1.00 0.00 C ATOM 1743 OE1 GLU B 636 0.393 -16.008 5.576 1.00 0.00 O ATOM 1744 OE2 GLU B 636 -1.654 -15.318 5.985 1.00 0.00 O ATOM 0 H GLU B 636 2.187 -11.854 3.471 1.00 0.00 H new ATOM 0 HA GLU B 636 2.025 -14.585 4.304 1.00 0.00 H new ATOM 0 HB2 GLU B 636 0.264 -12.264 3.908 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -0.498 -13.765 3.420 1.00 0.00 H new ATOM 0 HG2 GLU B 636 0.876 -13.476 6.103 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -0.792 -12.994 5.863 1.00 0.00 H new ATOM 1749 N GLN B 637 1.184 -13.843 1.187 1.00 0.00 N ATOM 1750 CA GLN B 637 0.998 -14.416 -0.141 1.00 0.00 C ATOM 1751 C GLN B 637 2.227 -15.211 -0.569 1.00 0.00 C ATOM 1752 O GLN B 637 2.122 -16.174 -1.329 1.00 0.00 O ATOM 1753 CB GLN B 637 0.710 -13.311 -1.159 1.00 0.00 C ATOM 1754 CG GLN B 637 1.936 -12.489 -1.528 1.00 0.00 C ATOM 1755 CD GLN B 637 2.596 -12.967 -2.805 1.00 0.00 C ATOM 1756 OE1 GLN B 637 1.924 -13.271 -3.790 1.00 0.00 O ATOM 1757 NE2 GLN B 637 3.923 -13.037 -2.795 1.00 0.00 N ATOM 0 H GLN B 637 1.072 -12.830 1.229 1.00 0.00 H new ATOM 0 HA GLN B 637 0.146 -15.095 -0.101 1.00 0.00 H new ATOM 0 HB2 GLN B 637 0.298 -13.760 -2.063 1.00 0.00 H new ATOM 0 HB3 GLN B 637 -0.055 -12.647 -0.756 1.00 0.00 H new ATOM 0 HG2 GLN B 637 1.647 -11.444 -1.642 1.00 0.00 H new ATOM 0 HG3 GLN B 637 2.657 -12.533 -0.712 1.00 0.00 H new ATOM 0 HE21 GLN B 637 4.441 -12.775 -1.956 1.00 0.00 H new ATOM 0 HE22 GLN B 637 4.423 -13.353 -3.626 1.00 0.00 H new ATOM 1764 N ALA B 638 3.392 -14.801 -0.077 1.00 0.00 N ATOM 1765 CA ALA B 638 4.640 -15.477 -0.407 1.00 0.00 C ATOM 1766 C ALA B 638 4.675 -16.883 0.180 1.00 0.00 C ATOM 1767 O ALA B 638 5.367 -17.762 -0.333 1.00 0.00 O ATOM 1768 CB ALA B 638 5.827 -14.665 0.091 1.00 0.00 C ATOM 0 H ALA B 638 3.497 -14.004 0.551 1.00 0.00 H new ATOM 0 HA ALA B 638 4.702 -15.564 -1.492 1.00 0.00 H new ATOM 0 HB1 ALA B 638 6.753 -15.181 -0.162 1.00 0.00 H new ATOM 0 HB2 ALA B 638 5.819 -13.682 -0.380 1.00 0.00 H new ATOM 0 HB3 ALA B 638 5.760 -14.549 1.173 1.00 0.00 H new ATOM 1774 N ALA B 639 3.925 -17.089 1.258 1.00 0.00 N ATOM 1775 CA ALA B 639 3.870 -18.390 1.913 1.00 0.00 C ATOM 1776 C ALA B 639 2.910 -19.328 1.191 1.00 0.00 C ATOM 1777 O ALA B 639 3.063 -20.549 1.241 1.00 0.00 O ATOM 1778 CB ALA B 639 3.458 -18.229 3.370 1.00 0.00 C ATOM 0 H ALA B 639 3.347 -16.371 1.696 1.00 0.00 H new ATOM 0 HA ALA B 639 4.866 -18.832 1.874 1.00 0.00 H new ATOM 0 HB1 ALA B 639 3.421 -19.208 3.848 1.00 0.00 H new ATOM 0 HB2 ALA B 639 4.184 -17.601 3.886 1.00 0.00 H new ATOM 0 HB3 ALA B 639 2.474 -17.763 3.420 1.00 0.00 H new ATOM 1784 N LEU B 640 1.919 -18.751 0.520 1.00 0.00 N ATOM 1785 CA LEU B 640 0.932 -19.536 -0.213 1.00 0.00 C ATOM 1786 C LEU B 640 1.258 -19.566 -1.703 1.00 0.00 C ATOM 1787 O LEU B 640 0.370 -19.740 -2.538 1.00 0.00 O ATOM 1788 CB LEU B 640 -0.469 -18.962 0.003 1.00 0.00 C ATOM 1789 CG LEU B 640 -0.772 -18.442 1.409 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -2.124 -17.749 1.442 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -0.729 -19.580 2.419 1.00 0.00 C ATOM 0 H LEU B 640 1.778 -17.742 0.468 1.00 0.00 H new ATOM 0 HA LEU B 640 0.961 -20.557 0.167 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.619 -18.146 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -1.198 -19.734 -0.242 1.00 0.00 H new ATOM 0 HG LEU B 640 -0.007 -17.714 1.679 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -2.322 -17.386 2.450 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -2.119 -16.909 0.748 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -2.902 -18.455 1.151 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -0.947 -19.192 3.414 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -1.472 -20.332 2.152 1.00 0.00 H new ATOM 0 HD23 LEU B 640 0.263 -20.033 2.415 1.00 0.00 H new ATOM 1802 N GLN B 641 2.535 -19.397 -2.029 1.00 0.00 N ATOM 1803 CA GLN B 641 2.977 -19.406 -3.418 1.00 0.00 C ATOM 1804 C GLN B 641 2.476 -20.652 -4.141 1.00 0.00 C ATOM 1805 O GLN B 641 1.969 -20.572 -5.259 1.00 0.00 O ATOM 1806 CB GLN B 641 4.504 -19.339 -3.490 1.00 0.00 C ATOM 1807 CG GLN B 641 5.063 -17.947 -3.243 1.00 0.00 C ATOM 1808 CD GLN B 641 4.985 -17.059 -4.469 1.00 0.00 C ATOM 1809 OE1 GLN B 641 5.772 -17.203 -5.404 1.00 0.00 O ATOM 1810 NE2 GLN B 641 4.032 -16.135 -4.470 1.00 0.00 N ATOM 0 H GLN B 641 3.282 -19.252 -1.350 1.00 0.00 H new ATOM 0 HA GLN B 641 2.558 -18.529 -3.912 1.00 0.00 H new ATOM 0 HB2 GLN B 641 4.925 -20.026 -2.756 1.00 0.00 H new ATOM 0 HB3 GLN B 641 4.829 -19.683 -4.472 1.00 0.00 H new ATOM 0 HG2 GLN B 641 4.514 -17.479 -2.425 1.00 0.00 H new ATOM 0 HG3 GLN B 641 6.102 -18.029 -2.924 1.00 0.00 H new ATOM 0 HE21 GLN B 641 3.402 -16.052 -3.673 1.00 0.00 H new ATOM 0 HE22 GLN B 641 3.930 -15.508 -5.268 1.00 0.00 H new ATOM 1817 N SER B 642 2.623 -21.804 -3.494 1.00 0.00 N ATOM 1818 CA SER B 642 2.190 -23.069 -4.077 1.00 0.00 C ATOM 1819 C SER B 642 0.716 -23.010 -4.469 1.00 0.00 C ATOM 1820 O SER B 642 0.274 -23.719 -5.372 1.00 0.00 O ATOM 1821 CB SER B 642 2.422 -24.215 -3.091 1.00 0.00 C ATOM 1822 OG SER B 642 1.588 -24.085 -1.953 1.00 0.00 O ATOM 0 H SER B 642 3.038 -21.887 -2.566 1.00 0.00 H new ATOM 0 HA SER B 642 2.780 -23.248 -4.976 1.00 0.00 H new ATOM 0 HB2 SER B 642 2.225 -25.168 -3.583 1.00 0.00 H new ATOM 0 HB3 SER B 642 3.467 -24.226 -2.781 1.00 0.00 H new ATOM 0 HG SER B 642 1.754 -24.830 -1.339 1.00 0.00 H new ATOM 1827 N ALA B 643 -0.038 -22.158 -3.782 1.00 0.00 N ATOM 1828 CA ALA B 643 -1.460 -22.004 -4.058 1.00 0.00 C ATOM 1829 C ALA B 643 -1.690 -21.124 -5.282 1.00 0.00 C ATOM 1830 O ALA B 643 -2.612 -21.359 -6.063 1.00 0.00 O ATOM 1831 CB ALA B 643 -2.174 -21.421 -2.846 1.00 0.00 C ATOM 0 H ALA B 643 0.313 -21.564 -3.030 1.00 0.00 H new ATOM 0 HA ALA B 643 -1.872 -22.991 -4.269 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -3.236 -21.312 -3.067 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -2.048 -22.088 -1.993 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -1.750 -20.445 -2.609 1.00 0.00 H new ATOM 1837 N TRP B 644 -0.847 -20.111 -5.443 1.00 0.00 N ATOM 1838 CA TRP B 644 -0.958 -19.195 -6.574 1.00 0.00 C ATOM 1839 C TRP B 644 -0.994 -19.960 -7.892 1.00 0.00 C ATOM 1840 O TRP B 644 -0.383 -21.019 -8.021 1.00 0.00 O ATOM 1841 CB TRP B 644 0.210 -18.208 -6.574 1.00 0.00 C ATOM 1842 CG TRP B 644 -0.015 -17.021 -7.462 1.00 0.00 C ATOM 1843 CD1 TRP B 644 0.180 -16.959 -8.811 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.477 -15.727 -7.060 1.00 0.00 C ATOM 1845 NE1 TRP B 644 -0.132 -15.703 -9.273 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.539 -14.930 -8.220 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.847 -15.165 -5.836 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -0.953 -13.601 -8.187 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -1.258 -13.846 -5.805 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -1.309 -13.076 -6.974 1.00 0.00 C ATOM 0 H TRP B 644 -0.079 -19.902 -4.805 1.00 0.00 H new ATOM 0 HA TRP B 644 -1.891 -18.642 -6.471 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.384 -17.863 -5.555 1.00 0.00 H new ATOM 0 HB3 TRP B 644 1.114 -18.726 -6.894 1.00 0.00 H new ATOM 0 HD1 TRP B 644 0.528 -17.776 -9.425 1.00 0.00 H new ATOM 0 HE1 TRP B 644 -0.070 -15.397 -10.244 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.812 -15.751 -4.930 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -0.992 -13.005 -9.087 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.545 -13.401 -4.863 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.636 -12.048 -6.917 1.00 0.00 H new ATOM 1860 N GLN B 645 -1.715 -19.415 -8.867 1.00 0.00 N ATOM 1861 CA GLN B 645 -1.830 -20.048 -10.176 1.00 0.00 C ATOM 1862 C GLN B 645 -0.834 -19.444 -11.162 1.00 0.00 C ATOM 1863 O GLN B 645 0.139 -20.089 -11.548 1.00 0.00 O ATOM 1864 CB GLN B 645 -3.253 -19.897 -10.715 1.00 0.00 C ATOM 1865 CG GLN B 645 -4.317 -20.466 -9.790 1.00 0.00 C ATOM 1866 CD GLN B 645 -4.321 -21.982 -9.767 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -4.847 -22.625 -10.676 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -3.736 -22.560 -8.726 1.00 0.00 N ATOM 0 H GLN B 645 -2.228 -18.538 -8.776 1.00 0.00 H new ATOM 0 HA GLN B 645 -1.603 -21.108 -10.061 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -3.458 -18.840 -10.885 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -3.321 -20.394 -11.683 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -4.152 -20.092 -8.780 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -5.297 -20.109 -10.107 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -3.313 -21.987 -7.996 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -3.709 -23.577 -8.656 1.00 0.00 H new ATOM 1875 N GLY B 646 -1.086 -18.202 -11.564 1.00 0.00 N ATOM 1876 CA GLY B 646 -0.203 -17.534 -12.502 1.00 0.00 C ATOM 1877 C GLY B 646 -0.798 -17.440 -13.893 1.00 0.00 C ATOM 1878 O GLY B 646 -0.458 -16.540 -14.662 1.00 0.00 O ATOM 0 H GLY B 646 -1.885 -17.647 -11.257 1.00 0.00 H new ATOM 0 HA2 GLY B 646 0.018 -16.531 -12.137 1.00 0.00 H new ATOM 0 HA3 GLY B 646 0.744 -18.072 -12.551 1.00 0.00 H new ATOM 1882 N ASP B 647 -1.687 -18.371 -14.218 1.00 0.00 N ATOM 1883 CA ASP B 647 -2.331 -18.391 -15.527 1.00 0.00 C ATOM 1884 C ASP B 647 -3.715 -17.752 -15.461 1.00 0.00 C ATOM 1885 O ASP B 647 -4.606 -18.095 -16.238 1.00 0.00 O ATOM 1886 CB ASP B 647 -2.441 -19.826 -16.043 1.00 0.00 C ATOM 1887 CG ASP B 647 -2.074 -19.943 -17.509 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -2.390 -19.010 -18.277 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -1.470 -20.968 -17.889 1.00 0.00 O ATOM 0 H ASP B 647 -1.979 -19.123 -13.593 1.00 0.00 H new ATOM 0 HA ASP B 647 -1.716 -17.812 -16.216 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -1.788 -20.471 -15.455 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -3.460 -20.185 -15.897 1.00 0.00 H new ATOM 1893 N THR B 648 -3.888 -16.821 -14.527 1.00 0.00 N ATOM 1894 CA THR B 648 -5.164 -16.136 -14.358 1.00 0.00 C ATOM 1895 C THR B 648 -5.024 -14.642 -14.624 1.00 0.00 C ATOM 1896 O THR B 648 -5.991 -13.974 -14.987 1.00 0.00 O ATOM 1897 CB THR B 648 -5.728 -16.344 -12.939 1.00 0.00 C ATOM 1898 OG1 THR B 648 -4.672 -16.272 -11.976 1.00 0.00 O ATOM 1899 CG2 THR B 648 -6.433 -17.688 -12.829 1.00 0.00 C ATOM 0 H THR B 648 -3.161 -16.524 -13.876 1.00 0.00 H new ATOM 0 HA THR B 648 -5.855 -16.568 -15.082 1.00 0.00 H new ATOM 0 HB THR B 648 -6.453 -15.554 -12.740 1.00 0.00 H new ATOM 0 HG1 THR B 648 -5.007 -16.559 -11.101 1.00 0.00 H new ATOM 0 HG21 THR B 648 -6.823 -17.813 -11.819 1.00 0.00 H new ATOM 0 HG22 THR B 648 -7.256 -17.727 -13.543 1.00 0.00 H new ATOM 0 HG23 THR B 648 -5.726 -18.489 -13.046 1.00 0.00 H new ATOM 1907 N GLY B 649 -3.814 -14.123 -14.442 1.00 0.00 N ATOM 1908 CA GLY B 649 -3.572 -12.710 -14.667 1.00 0.00 C ATOM 1909 C GLY B 649 -2.206 -12.271 -14.176 1.00 0.00 C ATOM 1910 O GLY B 649 -1.279 -12.101 -14.968 1.00 0.00 O ATOM 0 H GLY B 649 -2.997 -14.656 -14.143 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -3.659 -12.495 -15.732 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -4.341 -12.127 -14.160 1.00 0.00 H new ATOM 1914 N ILE B 650 -2.083 -12.085 -12.866 1.00 0.00 N ATOM 1915 CA ILE B 650 -0.821 -11.662 -12.270 1.00 0.00 C ATOM 1916 C ILE B 650 -0.040 -12.856 -11.732 1.00 0.00 C ATOM 1917 O ILE B 650 -0.620 -13.805 -11.202 1.00 0.00 O ATOM 1918 CB ILE B 650 -1.048 -10.654 -11.128 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -1.821 -9.437 -11.639 1.00 0.00 C ATOM 1920 CG2 ILE B 650 0.283 -10.229 -10.526 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -2.096 -8.403 -10.569 1.00 0.00 C ATOM 0 H ILE B 650 -2.841 -12.220 -12.197 1.00 0.00 H new ATOM 0 HA ILE B 650 -0.245 -11.180 -13.060 1.00 0.00 H new ATOM 0 HB ILE B 650 -1.640 -11.135 -10.350 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -1.257 -8.971 -12.447 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -2.768 -9.770 -12.063 1.00 0.00 H new ATOM 0 HG21 ILE B 650 0.107 -9.516 -9.720 1.00 0.00 H new ATOM 0 HG22 ILE B 650 0.799 -11.104 -10.131 1.00 0.00 H new ATOM 0 HG23 ILE B 650 0.898 -9.762 -11.295 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.647 -7.568 -11.003 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -2.687 -8.853 -9.771 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -1.152 -8.042 -10.161 1.00 0.00 H new ATOM 1932 N THR B 651 1.281 -12.802 -11.869 1.00 0.00 N ATOM 1933 CA THR B 651 2.144 -13.878 -11.397 1.00 0.00 C ATOM 1934 C THR B 651 2.795 -13.516 -10.067 1.00 0.00 C ATOM 1935 O THR B 651 2.651 -12.395 -9.578 1.00 0.00 O ATOM 1936 CB THR B 651 3.245 -14.207 -12.422 1.00 0.00 C ATOM 1937 OG1 THR B 651 2.922 -13.628 -13.690 1.00 0.00 O ATOM 1938 CG2 THR B 651 3.410 -15.712 -12.573 1.00 0.00 C ATOM 0 H THR B 651 1.777 -12.024 -12.303 1.00 0.00 H new ATOM 0 HA THR B 651 1.511 -14.755 -11.262 1.00 0.00 H new ATOM 0 HB THR B 651 4.184 -13.788 -12.061 1.00 0.00 H new ATOM 0 HG1 THR B 651 3.628 -13.840 -14.336 1.00 0.00 H new ATOM 0 HG21 THR B 651 4.193 -15.921 -13.302 1.00 0.00 H new ATOM 0 HG22 THR B 651 3.684 -16.146 -11.612 1.00 0.00 H new ATOM 0 HG23 THR B 651 2.471 -16.149 -12.914 1.00 0.00 H new ATOM 1946 N TYR B 652 3.513 -14.471 -9.486 1.00 0.00 N ATOM 1947 CA TYR B 652 4.185 -14.253 -8.211 1.00 0.00 C ATOM 1948 C TYR B 652 5.288 -13.207 -8.348 1.00 0.00 C ATOM 1949 O TYR B 652 5.494 -12.387 -7.454 1.00 0.00 O ATOM 1950 CB TYR B 652 4.774 -15.565 -7.690 1.00 0.00 C ATOM 1951 CG TYR B 652 5.831 -16.157 -8.596 1.00 0.00 C ATOM 1952 CD1 TYR B 652 5.486 -17.021 -9.626 1.00 0.00 C ATOM 1953 CD2 TYR B 652 7.174 -15.850 -8.420 1.00 0.00 C ATOM 1954 CE1 TYR B 652 6.447 -17.565 -10.456 1.00 0.00 C ATOM 1955 CE2 TYR B 652 8.143 -16.387 -9.245 1.00 0.00 C ATOM 1956 CZ TYR B 652 7.775 -17.244 -10.262 1.00 0.00 C ATOM 1957 OH TYR B 652 8.736 -17.782 -11.086 1.00 0.00 O ATOM 0 H TYR B 652 3.644 -15.403 -9.878 1.00 0.00 H new ATOM 0 HA TYR B 652 3.446 -13.885 -7.499 1.00 0.00 H new ATOM 0 HB2 TYR B 652 5.207 -15.393 -6.705 1.00 0.00 H new ATOM 0 HB3 TYR B 652 3.970 -16.289 -7.563 1.00 0.00 H new ATOM 0 HD1 TYR B 652 4.447 -17.273 -9.781 1.00 0.00 H new ATOM 0 HD2 TYR B 652 7.466 -15.180 -7.625 1.00 0.00 H new ATOM 0 HE1 TYR B 652 6.161 -18.237 -11.251 1.00 0.00 H new ATOM 0 HE2 TYR B 652 9.183 -16.137 -9.095 1.00 0.00 H new ATOM 0 HH TYR B 652 9.619 -17.454 -10.816 1.00 0.00 H new ATOM 1966 N GLN B 653 5.992 -13.244 -9.475 1.00 0.00 N ATOM 1967 CA GLN B 653 7.074 -12.300 -9.730 1.00 0.00 C ATOM 1968 C GLN B 653 6.523 -10.914 -10.048 1.00 0.00 C ATOM 1969 O GLN B 653 7.055 -9.903 -9.589 1.00 0.00 O ATOM 1970 CB GLN B 653 7.946 -12.792 -10.887 1.00 0.00 C ATOM 1971 CG GLN B 653 7.180 -12.996 -12.183 1.00 0.00 C ATOM 1972 CD GLN B 653 8.039 -13.589 -13.282 1.00 0.00 C ATOM 1973 OE1 GLN B 653 7.772 -14.686 -13.773 1.00 0.00 O ATOM 1974 NE2 GLN B 653 9.080 -12.864 -13.675 1.00 0.00 N ATOM 0 H GLN B 653 5.833 -13.917 -10.225 1.00 0.00 H new ATOM 0 HA GLN B 653 7.683 -12.231 -8.828 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.747 -12.073 -11.058 1.00 0.00 H new ATOM 0 HB3 GLN B 653 8.417 -13.733 -10.601 1.00 0.00 H new ATOM 0 HG2 GLN B 653 6.329 -13.652 -11.998 1.00 0.00 H new ATOM 0 HG3 GLN B 653 6.778 -12.040 -12.517 1.00 0.00 H new ATOM 0 HE21 GLN B 653 9.265 -11.960 -13.241 1.00 0.00 H new ATOM 0 HE22 GLN B 653 9.695 -13.211 -14.411 1.00 0.00 H new ATOM 1981 N ALA B 654 5.454 -10.875 -10.837 1.00 0.00 N ATOM 1982 CA ALA B 654 4.829 -9.612 -11.213 1.00 0.00 C ATOM 1983 C ALA B 654 4.137 -8.963 -10.020 1.00 0.00 C ATOM 1984 O ALA B 654 4.332 -7.778 -9.747 1.00 0.00 O ATOM 1985 CB ALA B 654 3.837 -9.832 -12.346 1.00 0.00 C ATOM 0 H ALA B 654 5.003 -11.702 -11.228 1.00 0.00 H new ATOM 0 HA ALA B 654 5.612 -8.936 -11.555 1.00 0.00 H new ATOM 0 HB1 ALA B 654 3.378 -8.881 -12.617 1.00 0.00 H new ATOM 0 HB2 ALA B 654 4.358 -10.243 -13.211 1.00 0.00 H new ATOM 0 HB3 ALA B 654 3.064 -10.529 -12.023 1.00 0.00 H new ATOM 1991 N TRP B 655 3.330 -9.746 -9.314 1.00 0.00 N ATOM 1992 CA TRP B 655 2.608 -9.246 -8.149 1.00 0.00 C ATOM 1993 C TRP B 655 3.566 -8.613 -7.145 1.00 0.00 C ATOM 1994 O TRP B 655 3.384 -7.465 -6.739 1.00 0.00 O ATOM 1995 CB TRP B 655 1.826 -10.379 -7.482 1.00 0.00 C ATOM 1996 CG TRP B 655 0.811 -9.897 -6.490 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.523 -9.706 -6.710 1.00 0.00 C ATOM 1998 CD2 TRP B 655 1.049 -9.545 -5.123 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.128 -9.255 -5.562 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.186 -9.148 -4.574 1.00 0.00 C ATOM 2001 CE3 TRP B 655 2.184 -9.526 -4.309 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.315 -8.739 -3.249 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 2.056 -9.119 -2.995 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.814 -8.731 -2.475 1.00 0.00 C ATOM 0 H TRP B 655 3.159 -10.729 -9.527 1.00 0.00 H new ATOM 0 HA TRP B 655 1.908 -8.482 -8.487 1.00 0.00 H new ATOM 0 HB2 TRP B 655 1.322 -10.965 -8.251 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.526 -11.047 -6.980 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -1.028 -9.883 -7.648 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.119 -9.035 -5.462 1.00 0.00 H new ATOM 0 HE3 TRP B 655 3.145 -9.824 -4.700 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.271 -8.439 -2.847 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 2.928 -9.100 -2.358 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.746 -8.419 -1.443 1.00 0.00 H new ATOM 2014 N GLN B 656 4.585 -9.368 -6.749 1.00 0.00 N ATOM 2015 CA GLN B 656 5.572 -8.880 -5.792 1.00 0.00 C ATOM 2016 C GLN B 656 6.161 -7.549 -6.249 1.00 0.00 C ATOM 2017 O GLN B 656 6.576 -6.731 -5.430 1.00 0.00 O ATOM 2018 CB GLN B 656 6.687 -9.909 -5.607 1.00 0.00 C ATOM 2019 CG GLN B 656 6.267 -11.122 -4.792 1.00 0.00 C ATOM 2020 CD GLN B 656 6.781 -11.073 -3.366 1.00 0.00 C ATOM 2021 OE1 GLN B 656 6.182 -10.436 -2.499 1.00 0.00 O ATOM 2022 NE2 GLN B 656 7.897 -11.748 -3.115 1.00 0.00 N ATOM 0 H GLN B 656 4.749 -10.320 -7.076 1.00 0.00 H new ATOM 0 HA GLN B 656 5.070 -8.725 -4.837 1.00 0.00 H new ATOM 0 HB2 GLN B 656 7.030 -10.241 -6.587 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.535 -9.429 -5.118 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.179 -11.188 -4.780 1.00 0.00 H new ATOM 0 HG3 GLN B 656 6.636 -12.026 -5.276 1.00 0.00 H new ATOM 0 HE21 GLN B 656 8.361 -12.263 -3.863 1.00 0.00 H new ATOM 0 HE22 GLN B 656 8.290 -11.752 -2.174 1.00 0.00 H new ATOM 2029 N ALA B 657 6.194 -7.343 -7.561 1.00 0.00 N ATOM 2030 CA ALA B 657 6.732 -6.112 -8.127 1.00 0.00 C ATOM 2031 C ALA B 657 5.703 -4.989 -8.076 1.00 0.00 C ATOM 2032 O ALA B 657 5.967 -3.917 -7.531 1.00 0.00 O ATOM 2033 CB ALA B 657 7.192 -6.345 -9.558 1.00 0.00 C ATOM 0 H ALA B 657 5.855 -8.012 -8.252 1.00 0.00 H new ATOM 0 HA ALA B 657 7.590 -5.810 -7.527 1.00 0.00 H new ATOM 0 HB1 ALA B 657 7.591 -5.417 -9.967 1.00 0.00 H new ATOM 0 HB2 ALA B 657 7.968 -7.111 -9.571 1.00 0.00 H new ATOM 0 HB3 ALA B 657 6.347 -6.674 -10.163 1.00 0.00 H new ATOM 2039 N GLN B 658 4.529 -5.241 -8.648 1.00 0.00 N ATOM 2040 CA GLN B 658 3.461 -4.250 -8.668 1.00 0.00 C ATOM 2041 C GLN B 658 3.116 -3.792 -7.255 1.00 0.00 C ATOM 2042 O GLN B 658 3.064 -2.594 -6.975 1.00 0.00 O ATOM 2043 CB GLN B 658 2.216 -4.824 -9.349 1.00 0.00 C ATOM 2044 CG GLN B 658 2.191 -4.604 -10.853 1.00 0.00 C ATOM 2045 CD GLN B 658 1.125 -5.432 -11.545 1.00 0.00 C ATOM 2046 OE1 GLN B 658 -0.033 -5.025 -11.633 1.00 0.00 O ATOM 2047 NE2 GLN B 658 1.512 -6.602 -12.040 1.00 0.00 N ATOM 0 H GLN B 658 4.295 -6.123 -9.103 1.00 0.00 H new ATOM 0 HA GLN B 658 3.811 -3.387 -9.234 1.00 0.00 H new ATOM 0 HB2 GLN B 658 2.161 -5.893 -9.145 1.00 0.00 H new ATOM 0 HB3 GLN B 658 1.329 -4.369 -8.909 1.00 0.00 H new ATOM 0 HG2 GLN B 658 2.017 -3.548 -11.059 1.00 0.00 H new ATOM 0 HG3 GLN B 658 3.167 -4.853 -11.269 1.00 0.00 H new ATOM 0 HE21 GLN B 658 2.483 -6.900 -11.944 1.00 0.00 H new ATOM 0 HE22 GLN B 658 0.838 -7.202 -12.516 1.00 0.00 H new ATOM 2054 N TRP B 659 2.881 -4.752 -6.368 1.00 0.00 N ATOM 2055 CA TRP B 659 2.540 -4.448 -4.984 1.00 0.00 C ATOM 2056 C TRP B 659 3.558 -3.492 -4.371 1.00 0.00 C ATOM 2057 O TRP B 659 3.194 -2.464 -3.801 1.00 0.00 O ATOM 2058 CB TRP B 659 2.468 -5.734 -4.159 1.00 0.00 C ATOM 2059 CG TRP B 659 1.945 -5.522 -2.770 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.682 -5.349 -1.634 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.571 -5.460 -2.373 1.00 0.00 C ATOM 2062 NE1 TRP B 659 1.849 -5.185 -0.554 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.549 -5.248 -0.981 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -0.643 -5.562 -3.059 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.639 -5.138 -0.264 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -1.821 -5.453 -2.344 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -1.813 -5.242 -0.959 1.00 0.00 C ATOM 0 H TRP B 659 2.920 -5.748 -6.583 1.00 0.00 H new ATOM 0 HA TRP B 659 1.563 -3.965 -4.974 1.00 0.00 H new ATOM 0 HB2 TRP B 659 1.830 -6.452 -4.674 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.463 -6.176 -4.101 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.761 -5.342 -1.591 1.00 0.00 H new ATOM 0 HE1 TRP B 659 2.150 -5.040 0.410 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -0.660 -5.723 -4.127 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.634 -4.976 0.804 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -2.765 -5.532 -2.863 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -2.751 -5.160 -0.430 1.00 0.00 H new ATOM 2077 N ASN B 660 4.836 -3.839 -4.491 1.00 0.00 N ATOM 2078 CA ASN B 660 5.907 -3.011 -3.947 1.00 0.00 C ATOM 2079 C ASN B 660 5.773 -1.568 -4.422 1.00 0.00 C ATOM 2080 O ASN B 660 5.811 -0.635 -3.619 1.00 0.00 O ATOM 2081 CB ASN B 660 7.271 -3.571 -4.358 1.00 0.00 C ATOM 2082 CG ASN B 660 8.380 -3.133 -3.423 1.00 0.00 C ATOM 2083 OD1 ASN B 660 8.508 -1.951 -3.104 1.00 0.00 O ATOM 2084 ND2 ASN B 660 9.192 -4.086 -2.980 1.00 0.00 N ATOM 0 H ASN B 660 5.155 -4.687 -4.960 1.00 0.00 H new ATOM 0 HA ASN B 660 5.828 -3.026 -2.860 1.00 0.00 H new ATOM 0 HB2 ASN B 660 7.223 -4.660 -4.376 1.00 0.00 H new ATOM 0 HB3 ASN B 660 7.504 -3.245 -5.372 1.00 0.00 H new ATOM 0 HD21 ASN B 660 9.958 -3.851 -2.350 1.00 0.00 H new ATOM 0 HD22 ASN B 660 9.049 -5.053 -3.270 1.00 0.00 H new ATOM 2090 N GLN B 661 5.615 -1.393 -5.730 1.00 0.00 N ATOM 2091 CA GLN B 661 5.475 -0.063 -6.310 1.00 0.00 C ATOM 2092 C GLN B 661 4.266 0.661 -5.728 1.00 0.00 C ATOM 2093 O GLN B 661 4.328 1.854 -5.432 1.00 0.00 O ATOM 2094 CB GLN B 661 5.342 -0.159 -7.831 1.00 0.00 C ATOM 2095 CG GLN B 661 6.627 -0.576 -8.528 1.00 0.00 C ATOM 2096 CD GLN B 661 7.714 0.477 -8.427 1.00 0.00 C ATOM 2097 OE1 GLN B 661 7.431 1.673 -8.357 1.00 0.00 O ATOM 2098 NE2 GLN B 661 8.966 0.036 -8.419 1.00 0.00 N ATOM 0 H GLN B 661 5.581 -2.155 -6.407 1.00 0.00 H new ATOM 0 HA GLN B 661 6.370 0.508 -6.065 1.00 0.00 H new ATOM 0 HB2 GLN B 661 4.557 -0.875 -8.074 1.00 0.00 H new ATOM 0 HB3 GLN B 661 5.024 0.808 -8.221 1.00 0.00 H new ATOM 0 HG2 GLN B 661 6.987 -1.507 -8.091 1.00 0.00 H new ATOM 0 HG3 GLN B 661 6.417 -0.777 -9.579 1.00 0.00 H new ATOM 0 HE21 GLN B 661 9.155 -0.965 -8.479 1.00 0.00 H new ATOM 0 HE22 GLN B 661 9.739 0.698 -8.353 1.00 0.00 H new ATOM 2105 N ALA B 662 3.167 -0.068 -5.564 1.00 0.00 N ATOM 2106 CA ALA B 662 1.944 0.504 -5.015 1.00 0.00 C ATOM 2107 C ALA B 662 2.157 0.985 -3.584 1.00 0.00 C ATOM 2108 O ALA B 662 1.884 2.140 -3.261 1.00 0.00 O ATOM 2109 CB ALA B 662 0.814 -0.513 -5.070 1.00 0.00 C ATOM 0 H ALA B 662 3.099 -1.057 -5.804 1.00 0.00 H new ATOM 0 HA ALA B 662 1.671 1.366 -5.623 1.00 0.00 H new ATOM 0 HB1 ALA B 662 -0.093 -0.072 -4.657 1.00 0.00 H new ATOM 0 HB2 ALA B 662 0.637 -0.804 -6.105 1.00 0.00 H new ATOM 0 HB3 ALA B 662 1.088 -1.393 -4.487 1.00 0.00 H new ATOM 2115 N MET B 663 2.647 0.091 -2.732 1.00 0.00 N ATOM 2116 CA MET B 663 2.897 0.424 -1.335 1.00 0.00 C ATOM 2117 C MET B 663 3.790 1.656 -1.221 1.00 0.00 C ATOM 2118 O MET B 663 3.429 2.637 -0.572 1.00 0.00 O ATOM 2119 CB MET B 663 3.546 -0.759 -0.614 1.00 0.00 C ATOM 2120 CG MET B 663 2.632 -1.431 0.397 1.00 0.00 C ATOM 2121 SD MET B 663 2.328 -0.405 1.849 1.00 0.00 S ATOM 2122 CE MET B 663 0.537 -0.336 1.846 1.00 0.00 C ATOM 0 H MET B 663 2.879 -0.870 -2.985 1.00 0.00 H new ATOM 0 HA MET B 663 1.939 0.646 -0.864 1.00 0.00 H new ATOM 0 HB2 MET B 663 3.861 -1.496 -1.353 1.00 0.00 H new ATOM 0 HB3 MET B 663 4.446 -0.414 -0.105 1.00 0.00 H new ATOM 0 HG2 MET B 663 1.681 -1.669 -0.080 1.00 0.00 H new ATOM 0 HG3 MET B 663 3.076 -2.376 0.711 1.00 0.00 H new ATOM 0 HE1 MET B 663 0.211 0.669 2.113 1.00 0.00 H new ATOM 0 HE2 MET B 663 0.165 -0.586 0.853 1.00 0.00 H new ATOM 0 HE3 MET B 663 0.144 -1.049 2.571 1.00 0.00 H new ATOM 2130 N GLU B 664 4.956 1.597 -1.857 1.00 0.00 N ATOM 2131 CA GLU B 664 5.899 2.708 -1.825 1.00 0.00 C ATOM 2132 C GLU B 664 5.222 4.009 -2.245 1.00 0.00 C ATOM 2133 O GLU B 664 5.545 5.082 -1.735 1.00 0.00 O ATOM 2134 CB GLU B 664 7.091 2.421 -2.743 1.00 0.00 C ATOM 2135 CG GLU B 664 8.061 3.583 -2.861 1.00 0.00 C ATOM 2136 CD GLU B 664 9.341 3.204 -3.581 1.00 0.00 C ATOM 2137 OE1 GLU B 664 9.463 2.032 -3.995 1.00 0.00 O ATOM 2138 OE2 GLU B 664 10.221 4.078 -3.729 1.00 0.00 O ATOM 0 H GLU B 664 5.270 0.792 -2.400 1.00 0.00 H new ATOM 0 HA GLU B 664 6.256 2.819 -0.801 1.00 0.00 H new ATOM 0 HB2 GLU B 664 7.626 1.549 -2.368 1.00 0.00 H new ATOM 0 HB3 GLU B 664 6.721 2.165 -3.736 1.00 0.00 H new ATOM 0 HG2 GLU B 664 7.578 4.402 -3.394 1.00 0.00 H new ATOM 0 HG3 GLU B 664 8.305 3.951 -1.864 1.00 0.00 H new ATOM 2143 N ASP B 665 4.282 3.906 -3.178 1.00 0.00 N ATOM 2144 CA ASP B 665 3.558 5.073 -3.666 1.00 0.00 C ATOM 2145 C ASP B 665 2.611 5.611 -2.598 1.00 0.00 C ATOM 2146 O ASP B 665 2.491 6.823 -2.414 1.00 0.00 O ATOM 2147 CB ASP B 665 2.774 4.720 -4.931 1.00 0.00 C ATOM 2148 CG ASP B 665 2.414 5.946 -5.750 1.00 0.00 C ATOM 2149 OD1 ASP B 665 2.259 7.032 -5.155 1.00 0.00 O ATOM 2150 OD2 ASP B 665 2.290 5.817 -6.985 1.00 0.00 O ATOM 0 H ASP B 665 4.004 3.026 -3.611 1.00 0.00 H new ATOM 0 HA ASP B 665 4.286 5.849 -3.904 1.00 0.00 H new ATOM 0 HB2 ASP B 665 3.365 4.038 -5.543 1.00 0.00 H new ATOM 0 HB3 ASP B 665 1.862 4.191 -4.654 1.00 0.00 H new ATOM 2154 N LEU B 666 1.938 4.704 -1.900 1.00 0.00 N ATOM 2155 CA LEU B 666 1.000 5.086 -0.850 1.00 0.00 C ATOM 2156 C LEU B 666 1.718 5.808 0.285 1.00 0.00 C ATOM 2157 O LEU B 666 1.259 6.844 0.765 1.00 0.00 O ATOM 2158 CB LEU B 666 0.278 3.852 -0.310 1.00 0.00 C ATOM 2159 CG LEU B 666 -0.479 3.012 -1.340 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -0.492 1.547 -0.928 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -1.898 3.532 -1.513 1.00 0.00 C ATOM 0 H LEU B 666 2.024 3.698 -2.042 1.00 0.00 H new ATOM 0 HA LEU B 666 0.267 5.767 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU B 666 1.011 3.213 0.182 1.00 0.00 H new ATOM 0 HB3 LEU B 666 -0.428 4.175 0.455 1.00 0.00 H new ATOM 0 HG LEU B 666 0.036 3.095 -2.297 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -1.035 0.964 -1.672 1.00 0.00 H new ATOM 0 HD12 LEU B 666 0.532 1.180 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -0.982 1.446 0.040 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -2.422 2.922 -2.249 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -2.423 3.480 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU B 666 -1.867 4.567 -1.854 1.00 0.00 H new ATOM 2172 N VAL B 667 2.849 5.253 0.711 1.00 0.00 N ATOM 2173 CA VAL B 667 3.633 5.845 1.788 1.00 0.00 C ATOM 2174 C VAL B 667 3.985 7.295 1.479 1.00 0.00 C ATOM 2175 O VAL B 667 3.762 8.187 2.298 1.00 0.00 O ATOM 2176 CB VAL B 667 4.932 5.055 2.037 1.00 0.00 C ATOM 2177 CG1 VAL B 667 5.656 5.590 3.262 1.00 0.00 C ATOM 2178 CG2 VAL B 667 4.630 3.572 2.191 1.00 0.00 C ATOM 0 H VAL B 667 3.242 4.394 0.326 1.00 0.00 H new ATOM 0 HA VAL B 667 3.016 5.807 2.686 1.00 0.00 H new ATOM 0 HB VAL B 667 5.586 5.182 1.175 1.00 0.00 H new ATOM 0 HG11 VAL B 667 6.571 5.020 3.422 1.00 0.00 H new ATOM 0 HG12 VAL B 667 5.905 6.640 3.108 1.00 0.00 H new ATOM 0 HG13 VAL B 667 5.012 5.495 4.136 1.00 0.00 H new ATOM 0 HG21 VAL B 667 5.558 3.028 2.366 1.00 0.00 H new ATOM 0 HG22 VAL B 667 3.957 3.423 3.036 1.00 0.00 H new ATOM 0 HG23 VAL B 667 4.158 3.200 1.281 1.00 0.00 H new ATOM 2188 N ARG B 668 4.537 7.525 0.291 1.00 0.00 N ATOM 2189 CA ARG B 668 4.922 8.867 -0.127 1.00 0.00 C ATOM 2190 C ARG B 668 3.689 9.727 -0.395 1.00 0.00 C ATOM 2191 O ARG B 668 3.707 10.938 -0.182 1.00 0.00 O ATOM 2192 CB ARG B 668 5.795 8.804 -1.381 1.00 0.00 C ATOM 2193 CG ARG B 668 7.138 8.131 -1.154 1.00 0.00 C ATOM 2194 CD ARG B 668 8.048 8.282 -2.363 1.00 0.00 C ATOM 2195 NE ARG B 668 9.457 8.360 -1.982 1.00 0.00 N ATOM 2196 CZ ARG B 668 10.432 8.663 -2.832 1.00 0.00 C ATOM 2197 NH1 ARG B 668 10.154 8.914 -4.104 1.00 0.00 N ATOM 2198 NH2 ARG B 668 11.689 8.714 -2.410 1.00 0.00 N ATOM 0 H ARG B 668 4.727 6.798 -0.399 1.00 0.00 H new ATOM 0 HA ARG B 668 5.494 9.322 0.682 1.00 0.00 H new ATOM 0 HB2 ARG B 668 5.256 8.267 -2.162 1.00 0.00 H new ATOM 0 HB3 ARG B 668 5.963 9.817 -1.748 1.00 0.00 H new ATOM 0 HG2 ARG B 668 7.620 8.565 -0.278 1.00 0.00 H new ATOM 0 HG3 ARG B 668 6.985 7.073 -0.942 1.00 0.00 H new ATOM 0 HD2 ARG B 668 7.901 7.437 -3.035 1.00 0.00 H new ATOM 0 HD3 ARG B 668 7.771 9.180 -2.915 1.00 0.00 H new ATOM 0 HE ARG B 668 9.705 8.172 -1.011 1.00 0.00 H new ATOM 0 HH11 ARG B 668 9.189 8.875 -4.433 1.00 0.00 H new ATOM 0 HH12 ARG B 668 10.905 9.146 -4.754 1.00 0.00 H new ATOM 0 HH21 ARG B 668 11.907 8.520 -1.433 1.00 0.00 H new ATOM 0 HH22 ARG B 668 12.437 8.947 -3.063 1.00 0.00 H new ATOM 2209 N ALA B 669 2.621 9.090 -0.864 1.00 0.00 N ATOM 2210 CA ALA B 669 1.381 9.795 -1.159 1.00 0.00 C ATOM 2211 C ALA B 669 0.874 10.552 0.065 1.00 0.00 C ATOM 2212 O ALA B 669 0.594 11.748 -0.006 1.00 0.00 O ATOM 2213 CB ALA B 669 0.323 8.819 -1.653 1.00 0.00 C ATOM 0 H ALA B 669 2.590 8.087 -1.048 1.00 0.00 H new ATOM 0 HA ALA B 669 1.585 10.522 -1.945 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -0.598 9.360 -1.870 1.00 0.00 H new ATOM 0 HB2 ALA B 669 0.677 8.327 -2.559 1.00 0.00 H new ATOM 0 HB3 ALA B 669 0.132 8.070 -0.885 1.00 0.00 H new ATOM 2219 N TYR B 670 0.758 9.847 1.184 1.00 0.00 N ATOM 2220 CA TYR B 670 0.283 10.451 2.423 1.00 0.00 C ATOM 2221 C TYR B 670 1.299 11.451 2.967 1.00 0.00 C ATOM 2222 O TYR B 670 0.940 12.553 3.383 1.00 0.00 O ATOM 2223 CB TYR B 670 0.004 9.371 3.469 1.00 0.00 C ATOM 2224 CG TYR B 670 -0.553 9.912 4.766 1.00 0.00 C ATOM 2225 CD1 TYR B 670 0.284 10.467 5.725 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -1.916 9.866 5.032 1.00 0.00 C ATOM 2227 CE1 TYR B 670 -0.219 10.963 6.912 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -2.429 10.361 6.217 1.00 0.00 C ATOM 2229 CZ TYR B 670 -1.577 10.908 7.153 1.00 0.00 C ATOM 2230 OH TYR B 670 -2.083 11.400 8.333 1.00 0.00 O ATOM 0 H TYR B 670 0.987 8.856 1.259 1.00 0.00 H new ATOM 0 HA TYR B 670 -0.643 10.983 2.205 1.00 0.00 H new ATOM 0 HB2 TYR B 670 -0.700 8.649 3.054 1.00 0.00 H new ATOM 0 HB3 TYR B 670 0.928 8.832 3.677 1.00 0.00 H new ATOM 0 HD1 TYR B 670 1.347 10.512 5.540 1.00 0.00 H new ATOM 0 HD2 TYR B 670 -2.586 9.437 4.301 1.00 0.00 H new ATOM 0 HE1 TYR B 670 0.446 11.391 7.647 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -3.491 10.319 6.408 1.00 0.00 H new ATOM 0 HH TYR B 670 -3.056 11.286 8.344 1.00 0.00 H new ATOM 2239 N HIS B 671 2.568 11.057 2.960 1.00 0.00 N ATOM 2240 CA HIS B 671 3.638 11.918 3.450 1.00 0.00 C ATOM 2241 C HIS B 671 3.713 13.208 2.639 1.00 0.00 C ATOM 2242 O HIS B 671 4.230 14.220 3.111 1.00 0.00 O ATOM 2243 CB HIS B 671 4.979 11.186 3.391 1.00 0.00 C ATOM 2244 CG HIS B 671 6.064 11.858 4.174 1.00 0.00 C ATOM 2245 ND1 HIS B 671 7.371 11.925 3.744 1.00 0.00 N ATOM 2246 CD2 HIS B 671 6.028 12.495 5.368 1.00 0.00 C ATOM 2247 CE1 HIS B 671 8.095 12.574 4.639 1.00 0.00 C ATOM 2248 NE2 HIS B 671 7.303 12.931 5.634 1.00 0.00 N ATOM 0 H HIS B 671 2.881 10.147 2.621 1.00 0.00 H new ATOM 0 HA HIS B 671 3.418 12.174 4.486 1.00 0.00 H new ATOM 0 HB2 HIS B 671 4.846 10.171 3.767 1.00 0.00 H new ATOM 0 HB3 HIS B 671 5.292 11.102 2.350 1.00 0.00 H new ATOM 0 HD2 HIS B 671 5.159 12.634 5.994 1.00 0.00 H new ATOM 0 HE1 HIS B 671 9.153 12.778 4.569 1.00 0.00 H new ATOM 0 HE2 HIS B 671 7.592 13.447 6.465 1.00 0.00 H new ATOM 2255 N ALA B 672 3.194 13.164 1.416 1.00 0.00 N ATOM 2256 CA ALA B 672 3.202 14.328 0.540 1.00 0.00 C ATOM 2257 C ALA B 672 2.595 15.543 1.235 1.00 0.00 C ATOM 2258 O ALA B 672 3.068 16.666 1.068 1.00 0.00 O ATOM 2259 CB ALA B 672 2.450 14.026 -0.748 1.00 0.00 C ATOM 0 H ALA B 672 2.763 12.334 1.010 1.00 0.00 H new ATOM 0 HA ALA B 672 4.239 14.560 0.297 1.00 0.00 H new ATOM 0 HB1 ALA B 672 2.464 14.905 -1.392 1.00 0.00 H new ATOM 0 HB2 ALA B 672 2.928 13.192 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA B 672 1.418 13.765 -0.514 1.00 0.00 H new ATOM 2265 N MET B 673 1.544 15.308 2.016 1.00 0.00 N ATOM 2266 CA MET B 673 0.874 16.383 2.738 1.00 0.00 C ATOM 2267 C MET B 673 1.821 17.041 3.737 1.00 0.00 C ATOM 2268 O MET B 673 1.915 18.266 3.804 1.00 0.00 O ATOM 2269 CB MET B 673 -0.361 15.846 3.463 1.00 0.00 C ATOM 2270 CG MET B 673 -1.053 16.884 4.333 1.00 0.00 C ATOM 2271 SD MET B 673 -1.026 16.454 6.083 1.00 0.00 S ATOM 2272 CE MET B 673 -1.994 14.947 6.077 1.00 0.00 C ATOM 0 H MET B 673 1.139 14.384 2.164 1.00 0.00 H new ATOM 0 HA MET B 673 0.562 17.135 2.013 1.00 0.00 H new ATOM 0 HB2 MET B 673 -1.070 15.470 2.726 1.00 0.00 H new ATOM 0 HB3 MET B 673 -0.068 15.000 4.084 1.00 0.00 H new ATOM 0 HG2 MET B 673 -0.569 17.851 4.193 1.00 0.00 H new ATOM 0 HG3 MET B 673 -2.087 16.995 4.006 1.00 0.00 H new ATOM 0 HE1 MET B 673 -2.427 14.789 7.065 1.00 0.00 H new ATOM 0 HE2 MET B 673 -2.793 15.031 5.340 1.00 0.00 H new ATOM 0 HE3 MET B 673 -1.352 14.103 5.822 1.00 0.00 H new