USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 ASN : amide:sc= 1.89 K(o=2.7,f=-1.1) USER MOD Set 1.2: B 648 THR OG1 : rot -102:sc= 0.843 USER MOD Set 2.1: B 637 GLN : amide:sc= -0.491 K(o=-2.9,f=-3.7) USER MOD Set 2.2: B 641 GLN :FLIP amide:sc= -2.43! F(o=-3.7,f=-2.9!) USER MOD Set 3.1: B 622 TYR OH : rot -9:sc= 1.43 USER MOD Set 3.2: B 670 TYR OH : rot 0:sc= 0.32 USER MOD Set 4.1: A 66 ASN :FLIP amide:sc= -0.0111 F(o=0.78,f=1.3) USER MOD Set 4.2: A 67 THR OG1 : rot 103:sc= 1.33 USER MOD Set 5.1: A 25 MET CE :methyl 163:sc= -0.0141 (180deg=-0.429) USER MOD Set 5.2: B 663 MET CE :methyl 166:sc= -4.59! (180deg=-3.76) USER MOD Single : A 21 LYS NZ :NH3+ -137:sc=-0.00318 (180deg=-0.924) USER MOD Single : A 27 HIS : no HD1:sc= -1.14 X(o=-1.1,f=-1.3) USER MOD Single : A 28 THR OG1 : rot -60:sc= -3.03! USER MOD Single : A 31 GLN : amide:sc= -0.428 X(o=-0.43,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.213 K(o=-0.21,f=-1.6!) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.189 F(o=-0.74,f=-0.19) USER MOD Single : A 64 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0625) USER MOD Single : A 73 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.0087) USER MOD Single : B 625 THR OG1 : rot 80:sc= 0.911 USER MOD Single : B 627 GLN : amide:sc= -1.25 K(o=-1.3,f=-4!) USER MOD Single : B 628 SER OG : rot 180:sc= 0 USER MOD Single : B 642 SER OG : rot 180:sc= 0 USER MOD Single : B 645 GLN : amide:sc= 0.0217 X(o=0.022,f=0) USER MOD Single : B 651 THR OG1 : rot 180:sc= 0 USER MOD Single : B 652 TYR OH : rot 180:sc= 0 USER MOD Single : B 653 GLN : amide:sc= -1.28 K(o=-1.3,f=-2.3!) USER MOD Single : B 656 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 658 GLN : amide:sc= -3.34! C(o=-3.3!,f=-3.5!) USER MOD Single : B 660 ASN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : B 661 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 671 HIS : no HD1:sc= 0 X(o=0,f=-0.0089) USER MOD Single : B 673 MET CE :methyl 148:sc= -0.186 (180deg=-0.871) USER MOD ----------------------------------------------------------------- ATOM 222 N ALA A 17 -5.825 -17.040 6.325 1.00 0.00 N ATOM 223 CA ALA A 17 -5.384 -15.873 7.080 1.00 0.00 C ATOM 224 C ALA A 17 -5.309 -14.639 6.189 1.00 0.00 C ATOM 225 O ALA A 17 -5.420 -13.508 6.665 1.00 0.00 O ATOM 226 CB ALA A 17 -4.033 -16.143 7.726 1.00 0.00 C ATOM 0 HA ALA A 17 -6.117 -15.679 7.863 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.715 -15.264 8.286 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.117 -16.994 8.402 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.298 -16.365 6.953 1.00 0.00 H new ATOM 232 N PHE A 18 -5.119 -14.861 4.892 1.00 0.00 N ATOM 233 CA PHE A 18 -5.028 -13.765 3.934 1.00 0.00 C ATOM 234 C PHE A 18 -6.219 -12.822 4.072 1.00 0.00 C ATOM 235 O PHE A 18 -6.053 -11.610 4.200 1.00 0.00 O ATOM 236 CB PHE A 18 -4.958 -14.313 2.506 1.00 0.00 C ATOM 237 CG PHE A 18 -4.570 -13.280 1.487 1.00 0.00 C ATOM 238 CD1 PHE A 18 -3.238 -12.963 1.276 1.00 0.00 C ATOM 239 CD2 PHE A 18 -5.538 -12.627 0.740 1.00 0.00 C ATOM 240 CE1 PHE A 18 -2.877 -12.013 0.338 1.00 0.00 C ATOM 241 CE2 PHE A 18 -5.183 -11.677 -0.199 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.852 -11.369 -0.400 1.00 0.00 C ATOM 0 H PHE A 18 -5.025 -15.790 4.481 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.118 -13.204 4.146 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.239 -15.132 2.474 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.928 -14.731 2.237 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.473 -13.464 1.851 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.581 -12.863 0.893 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.835 -11.775 0.183 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.946 -11.176 -0.775 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.573 -10.626 -1.133 1.00 0.00 H new ATOM 251 N ALA A 19 -7.421 -13.388 4.043 1.00 0.00 N ATOM 252 CA ALA A 19 -8.641 -12.599 4.165 1.00 0.00 C ATOM 253 C ALA A 19 -8.605 -11.724 5.413 1.00 0.00 C ATOM 254 O ALA A 19 -8.973 -10.551 5.372 1.00 0.00 O ATOM 255 CB ALA A 19 -9.858 -13.510 4.191 1.00 0.00 C ATOM 0 H ALA A 19 -7.576 -14.390 3.936 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.710 -11.945 3.296 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.762 -12.907 4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.899 -14.088 3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.787 -14.188 5.041 1.00 0.00 H new ATOM 261 N ALA A 20 -8.161 -12.304 6.524 1.00 0.00 N ATOM 262 CA ALA A 20 -8.077 -11.576 7.785 1.00 0.00 C ATOM 263 C ALA A 20 -7.246 -10.307 7.631 1.00 0.00 C ATOM 264 O ALA A 20 -7.518 -9.293 8.273 1.00 0.00 O ATOM 265 CB ALA A 20 -7.489 -12.467 8.869 1.00 0.00 C ATOM 0 H ALA A 20 -7.854 -13.275 6.576 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.086 -11.285 8.077 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.432 -11.912 9.805 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.124 -13.342 9.005 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.489 -12.786 8.575 1.00 0.00 H new ATOM 271 N LYS A 21 -6.230 -10.371 6.777 1.00 0.00 N ATOM 272 CA LYS A 21 -5.358 -9.226 6.538 1.00 0.00 C ATOM 273 C LYS A 21 -6.040 -8.201 5.639 1.00 0.00 C ATOM 274 O LYS A 21 -5.938 -6.996 5.866 1.00 0.00 O ATOM 275 CB LYS A 21 -4.044 -9.685 5.903 1.00 0.00 C ATOM 276 CG LYS A 21 -3.221 -10.596 6.797 1.00 0.00 C ATOM 277 CD LYS A 21 -2.073 -9.847 7.452 1.00 0.00 C ATOM 278 CE LYS A 21 -2.580 -8.777 8.407 1.00 0.00 C ATOM 279 NZ LYS A 21 -1.622 -8.528 9.520 1.00 0.00 N ATOM 0 H LYS A 21 -5.990 -11.203 6.239 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.146 -8.755 7.498 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.263 -10.206 4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.449 -8.809 5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.861 -11.027 7.567 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.827 -11.425 6.209 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.440 -10.550 7.994 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.452 -9.386 6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.748 -7.850 7.858 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.542 -9.083 8.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.144 -8.445 10.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.950 -9.319 9.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.102 -7.646 9.340 1.00 0.00 H new ATOM 289 N ALA A 22 -6.737 -8.687 4.618 1.00 0.00 N ATOM 290 CA ALA A 22 -7.439 -7.813 3.686 1.00 0.00 C ATOM 291 C ALA A 22 -8.436 -6.920 4.417 1.00 0.00 C ATOM 292 O ALA A 22 -8.616 -5.755 4.063 1.00 0.00 O ATOM 293 CB ALA A 22 -8.148 -8.637 2.622 1.00 0.00 C ATOM 0 H ALA A 22 -6.831 -9.682 4.415 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.702 -7.172 3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.668 -7.971 1.933 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.416 -9.229 2.072 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.869 -9.302 3.097 1.00 0.00 H new ATOM 299 N GLY A 23 -9.082 -7.474 5.438 1.00 0.00 N ATOM 300 CA GLY A 23 -10.054 -6.712 6.202 1.00 0.00 C ATOM 301 C GLY A 23 -9.408 -5.635 7.051 1.00 0.00 C ATOM 302 O GLY A 23 -9.843 -4.482 7.039 1.00 0.00 O ATOM 0 H GLY A 23 -8.950 -8.436 5.750 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.769 -6.252 5.519 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.617 -7.388 6.845 1.00 0.00 H new ATOM 306 N LEU A 24 -8.370 -6.009 7.790 1.00 0.00 N ATOM 307 CA LEU A 24 -7.664 -5.067 8.651 1.00 0.00 C ATOM 308 C LEU A 24 -7.057 -3.932 7.832 1.00 0.00 C ATOM 309 O LEU A 24 -6.853 -2.829 8.338 1.00 0.00 O ATOM 310 CB LEU A 24 -6.568 -5.786 9.438 1.00 0.00 C ATOM 311 CG LEU A 24 -6.069 -5.077 10.697 1.00 0.00 C ATOM 312 CD1 LEU A 24 -6.828 -5.567 11.921 1.00 0.00 C ATOM 313 CD2 LEU A 24 -4.573 -5.291 10.873 1.00 0.00 C ATOM 0 H LEU A 24 -7.998 -6.959 7.810 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.384 -4.642 9.350 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.940 -6.770 9.723 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.718 -5.946 8.775 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.251 -4.008 10.586 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.460 -5.052 12.808 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.891 -5.361 11.797 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.678 -6.640 12.037 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.236 -4.779 11.774 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.366 -6.357 10.962 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.044 -4.890 10.008 1.00 0.00 H new ATOM 324 N MET A 25 -6.772 -4.211 6.564 1.00 0.00 N ATOM 325 CA MET A 25 -6.191 -3.211 5.675 1.00 0.00 C ATOM 326 C MET A 25 -7.105 -1.996 5.553 1.00 0.00 C ATOM 327 O MET A 25 -6.704 -0.873 5.862 1.00 0.00 O ATOM 328 CB MET A 25 -5.938 -3.814 4.292 1.00 0.00 C ATOM 329 CG MET A 25 -5.509 -2.791 3.252 1.00 0.00 C ATOM 330 SD MET A 25 -3.952 -3.225 2.452 1.00 0.00 S ATOM 331 CE MET A 25 -2.787 -2.310 3.458 1.00 0.00 C ATOM 0 H MET A 25 -6.934 -5.120 6.130 1.00 0.00 H new ATOM 0 HA MET A 25 -5.242 -2.888 6.102 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.168 -4.581 4.374 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.846 -4.310 3.949 1.00 0.00 H new ATOM 0 HG2 MET A 25 -6.288 -2.699 2.496 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.409 -1.815 3.727 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.782 -2.698 3.295 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.818 -1.256 3.183 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.051 -2.418 4.510 1.00 0.00 H new ATOM 339 N ARG A 26 -8.332 -2.227 5.099 1.00 0.00 N ATOM 340 CA ARG A 26 -9.301 -1.149 4.934 1.00 0.00 C ATOM 341 C ARG A 26 -9.449 -0.350 6.225 1.00 0.00 C ATOM 342 O ARG A 26 -9.763 0.841 6.198 1.00 0.00 O ATOM 343 CB ARG A 26 -10.658 -1.715 4.514 1.00 0.00 C ATOM 344 CG ARG A 26 -10.605 -2.542 3.239 1.00 0.00 C ATOM 345 CD ARG A 26 -10.946 -1.704 2.018 1.00 0.00 C ATOM 346 NE ARG A 26 -12.348 -1.294 2.008 1.00 0.00 N ATOM 347 CZ ARG A 26 -12.886 -0.539 1.058 1.00 0.00 C ATOM 348 NH1 ARG A 26 -12.144 -0.113 0.045 1.00 0.00 N ATOM 349 NH2 ARG A 26 -14.170 -0.208 1.119 1.00 0.00 N ATOM 0 H ARG A 26 -8.679 -3.150 4.839 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.936 -0.482 4.153 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.050 -2.333 5.322 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.358 -0.891 4.374 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.609 -2.969 3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.302 -3.376 3.316 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.310 -0.819 1.997 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.729 -2.275 1.115 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.947 -1.605 2.773 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.157 -0.365 -0.006 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.560 0.467 -0.684 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.744 -0.534 1.896 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.582 0.372 0.388 1.00 0.00 H new ATOM 360 N HIS A 27 -9.220 -1.011 7.356 1.00 0.00 N ATOM 361 CA HIS A 27 -9.329 -0.362 8.656 1.00 0.00 C ATOM 362 C HIS A 27 -8.146 0.571 8.897 1.00 0.00 C ATOM 363 O HIS A 27 -8.284 1.615 9.537 1.00 0.00 O ATOM 364 CB HIS A 27 -9.402 -1.409 9.768 1.00 0.00 C ATOM 365 CG HIS A 27 -9.434 -0.821 11.145 1.00 0.00 C ATOM 366 ND1 HIS A 27 -9.975 0.417 11.421 1.00 0.00 N ATOM 367 CD2 HIS A 27 -8.990 -1.308 12.327 1.00 0.00 C ATOM 368 CE1 HIS A 27 -9.861 0.666 12.713 1.00 0.00 C ATOM 369 NE2 HIS A 27 -9.267 -0.365 13.286 1.00 0.00 N ATOM 0 H HIS A 27 -8.958 -1.996 7.397 1.00 0.00 H new ATOM 0 HA HIS A 27 -10.244 0.230 8.664 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.293 -2.020 9.622 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.542 -2.074 9.686 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.508 -2.261 12.486 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.197 1.561 13.216 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.049 -0.447 14.279 1.00 0.00 H new ATOM 376 N THR A 28 -6.982 0.188 8.383 1.00 0.00 N ATOM 377 CA THR A 28 -5.774 0.988 8.544 1.00 0.00 C ATOM 378 C THR A 28 -5.880 2.303 7.780 1.00 0.00 C ATOM 379 O THR A 28 -5.567 3.369 8.313 1.00 0.00 O ATOM 380 CB THR A 28 -4.526 0.227 8.061 1.00 0.00 C ATOM 381 OG1 THR A 28 -4.708 -1.181 8.248 1.00 0.00 O ATOM 382 CG2 THR A 28 -3.286 0.686 8.813 1.00 0.00 C ATOM 0 H THR A 28 -6.850 -0.672 7.851 1.00 0.00 H new ATOM 0 HA THR A 28 -5.673 1.196 9.609 1.00 0.00 H new ATOM 0 HB THR A 28 -4.388 0.438 7.001 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.850 -1.369 9.199 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.418 0.134 8.454 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.133 1.752 8.646 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.418 0.501 9.879 1.00 0.00 H new ATOM 390 N ILE A 29 -6.323 2.221 6.530 1.00 0.00 N ATOM 391 CA ILE A 29 -6.472 3.405 5.693 1.00 0.00 C ATOM 392 C ILE A 29 -7.670 4.242 6.133 1.00 0.00 C ATOM 393 O ILE A 29 -7.577 5.463 6.255 1.00 0.00 O ATOM 394 CB ILE A 29 -6.640 3.029 4.209 1.00 0.00 C ATOM 395 CG1 ILE A 29 -5.375 2.343 3.689 1.00 0.00 C ATOM 396 CG2 ILE A 29 -6.955 4.267 3.382 1.00 0.00 C ATOM 397 CD1 ILE A 29 -5.321 0.863 3.999 1.00 0.00 C ATOM 0 H ILE A 29 -6.585 1.347 6.074 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.560 3.990 5.809 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.473 2.332 4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.313 2.483 2.610 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.502 2.830 4.124 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.071 3.986 2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.880 4.719 3.741 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.140 4.985 3.477 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.398 0.441 3.601 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.352 0.716 5.079 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.175 0.364 3.541 1.00 0.00 H new ATOM 408 N GLY A 30 -8.796 3.575 6.369 1.00 0.00 N ATOM 409 CA GLY A 30 -9.995 4.272 6.794 1.00 0.00 C ATOM 410 C GLY A 30 -9.760 5.140 8.015 1.00 0.00 C ATOM 411 O GLY A 30 -10.256 6.264 8.089 1.00 0.00 O ATOM 0 H GLY A 30 -8.899 2.565 6.273 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.360 4.893 5.976 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.776 3.544 7.014 1.00 0.00 H new ATOM 415 N GLN A 31 -9.004 4.617 8.974 1.00 0.00 N ATOM 416 CA GLN A 31 -8.706 5.352 10.197 1.00 0.00 C ATOM 417 C GLN A 31 -7.711 6.476 9.929 1.00 0.00 C ATOM 418 O GLN A 31 -7.814 7.559 10.506 1.00 0.00 O ATOM 419 CB GLN A 31 -8.151 4.405 11.263 1.00 0.00 C ATOM 420 CG GLN A 31 -9.156 4.052 12.347 1.00 0.00 C ATOM 421 CD GLN A 31 -9.175 5.061 13.477 1.00 0.00 C ATOM 422 OE1 GLN A 31 -8.653 4.806 14.562 1.00 0.00 O ATOM 423 NE2 GLN A 31 -9.780 6.217 13.228 1.00 0.00 N ATOM 0 H GLN A 31 -8.587 3.687 8.928 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.634 5.794 10.561 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.812 3.488 10.781 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.277 4.864 11.725 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.151 3.987 11.907 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.920 3.067 12.749 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.200 6.386 12.314 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.825 6.935 13.951 1.00 0.00 H new ATOM 430 N ALA A 32 -6.749 6.211 9.052 1.00 0.00 N ATOM 431 CA ALA A 32 -5.737 7.201 8.707 1.00 0.00 C ATOM 432 C ALA A 32 -6.340 8.343 7.896 1.00 0.00 C ATOM 433 O ALA A 32 -5.846 9.470 7.931 1.00 0.00 O ATOM 434 CB ALA A 32 -4.600 6.547 7.936 1.00 0.00 C ATOM 0 H ALA A 32 -6.649 5.319 8.567 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.341 7.617 9.633 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.851 7.298 7.685 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.143 5.771 8.550 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.990 6.103 7.020 1.00 0.00 H new ATOM 440 N GLU A 33 -7.410 8.044 7.165 1.00 0.00 N ATOM 441 CA GLU A 33 -8.079 9.047 6.345 1.00 0.00 C ATOM 442 C GLU A 33 -8.813 10.062 7.217 1.00 0.00 C ATOM 443 O GLU A 33 -8.921 11.236 6.861 1.00 0.00 O ATOM 444 CB GLU A 33 -9.062 8.377 5.384 1.00 0.00 C ATOM 445 CG GLU A 33 -9.810 9.359 4.496 1.00 0.00 C ATOM 446 CD GLU A 33 -10.223 8.749 3.170 1.00 0.00 C ATOM 447 OE1 GLU A 33 -9.390 8.052 2.554 1.00 0.00 O ATOM 448 OE2 GLU A 33 -11.378 8.968 2.750 1.00 0.00 O ATOM 0 H GLU A 33 -7.831 7.116 7.124 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.319 9.574 5.768 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.519 7.672 4.755 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.784 7.799 5.961 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.697 9.714 5.020 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.180 10.229 4.311 1.00 0.00 H new ATOM 658 N PHE A 51 -3.453 20.336 -0.802 1.00 0.00 N ATOM 659 CA PHE A 51 -4.091 19.186 -0.172 1.00 0.00 C ATOM 660 C PHE A 51 -4.766 18.300 -1.215 1.00 0.00 C ATOM 661 O PHE A 51 -4.797 17.077 -1.079 1.00 0.00 O ATOM 662 CB PHE A 51 -5.117 19.648 0.863 1.00 0.00 C ATOM 663 CG PHE A 51 -5.954 18.531 1.418 1.00 0.00 C ATOM 664 CD1 PHE A 51 -5.360 17.374 1.895 1.00 0.00 C ATOM 665 CD2 PHE A 51 -7.335 18.639 1.462 1.00 0.00 C ATOM 666 CE1 PHE A 51 -6.129 16.344 2.405 1.00 0.00 C ATOM 667 CE2 PHE A 51 -8.109 17.612 1.972 1.00 0.00 C ATOM 668 CZ PHE A 51 -7.504 16.464 2.445 1.00 0.00 C ATOM 0 HA PHE A 51 -3.318 18.603 0.329 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.596 20.143 1.683 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.772 20.390 0.407 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -4.285 17.275 1.868 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.812 19.535 1.094 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.654 15.446 2.772 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -9.184 17.708 2.000 1.00 0.00 H new ATOM 0 HZ PHE A 51 -8.105 15.661 2.846 1.00 0.00 H new ATOM 677 N GLN A 52 -5.307 18.926 -2.254 1.00 0.00 N ATOM 678 CA GLN A 52 -5.984 18.196 -3.319 1.00 0.00 C ATOM 679 C GLN A 52 -5.037 17.203 -3.985 1.00 0.00 C ATOM 680 O GLN A 52 -5.335 16.013 -4.079 1.00 0.00 O ATOM 681 CB GLN A 52 -6.538 19.168 -4.362 1.00 0.00 C ATOM 682 CG GLN A 52 -7.029 18.487 -5.629 1.00 0.00 C ATOM 683 CD GLN A 52 -8.421 18.932 -6.029 1.00 0.00 C ATOM 684 OE1 GLN A 52 -8.882 20.003 -5.630 1.00 0.00 O ATOM 685 NE2 GLN A 52 -9.101 18.112 -6.822 1.00 0.00 N ATOM 0 H GLN A 52 -5.290 19.938 -2.381 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.811 17.641 -2.875 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.360 19.732 -3.921 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.762 19.888 -4.624 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.336 18.700 -6.443 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.025 17.407 -5.481 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.681 17.235 -7.129 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.043 18.360 -7.124 1.00 0.00 H new ATOM 692 N ALA A 53 -3.894 17.701 -4.445 1.00 0.00 N ATOM 693 CA ALA A 53 -2.902 16.857 -5.100 1.00 0.00 C ATOM 694 C ALA A 53 -2.571 15.636 -4.249 1.00 0.00 C ATOM 695 O ALA A 53 -2.612 14.504 -4.728 1.00 0.00 O ATOM 696 CB ALA A 53 -1.641 17.656 -5.394 1.00 0.00 C ATOM 0 H ALA A 53 -3.632 18.684 -4.376 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.325 16.506 -6.042 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.909 17.013 -5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.885 18.492 -6.049 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.225 18.035 -4.461 1.00 0.00 H new ATOM 702 N ALA A 54 -2.242 15.875 -2.983 1.00 0.00 N ATOM 703 CA ALA A 54 -1.905 14.793 -2.065 1.00 0.00 C ATOM 704 C ALA A 54 -3.095 13.864 -1.852 1.00 0.00 C ATOM 705 O ALA A 54 -2.939 12.644 -1.785 1.00 0.00 O ATOM 706 CB ALA A 54 -1.431 15.360 -0.735 1.00 0.00 C ATOM 0 H ALA A 54 -2.202 16.807 -2.570 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.098 14.210 -2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.183 14.542 -0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.548 15.978 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.223 15.967 -0.295 1.00 0.00 H new ATOM 712 N HIS A 55 -4.285 14.447 -1.745 1.00 0.00 N ATOM 713 CA HIS A 55 -5.502 13.670 -1.539 1.00 0.00 C ATOM 714 C HIS A 55 -5.765 12.749 -2.726 1.00 0.00 C ATOM 715 O HIS A 55 -6.130 11.586 -2.552 1.00 0.00 O ATOM 716 CB HIS A 55 -6.696 14.601 -1.325 1.00 0.00 C ATOM 717 CG HIS A 55 -7.991 13.875 -1.121 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.740 13.143 -1.978 1.00 0.00 N flip ATOM 719 CD2 HIS A 55 -8.660 13.855 0.085 1.00 0.00 C flip ATOM 720 CE1 HIS A 55 -9.837 12.699 -1.282 1.00 0.00 C flip ATOM 721 NE2 HIS A 55 -9.764 13.141 -0.039 1.00 0.00 N flip ATOM 0 H HIS A 55 -4.432 15.455 -1.798 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.366 13.056 -0.649 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.503 15.233 -0.459 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.791 15.261 -2.187 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.332 14.346 0.989 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.631 12.088 -1.685 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.445 12.961 0.699 1.00 0.00 H new ATOM 728 N ALA A 56 -5.579 13.276 -3.931 1.00 0.00 N ATOM 729 CA ALA A 56 -5.794 12.501 -5.146 1.00 0.00 C ATOM 730 C ALA A 56 -4.736 11.413 -5.300 1.00 0.00 C ATOM 731 O ALA A 56 -5.002 10.350 -5.861 1.00 0.00 O ATOM 732 CB ALA A 56 -5.795 13.414 -6.363 1.00 0.00 C ATOM 0 H ALA A 56 -5.280 14.238 -4.092 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.767 12.016 -5.068 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.957 12.821 -7.263 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.593 14.150 -6.265 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.836 13.927 -6.434 1.00 0.00 H new ATOM 738 N ARG A 57 -3.536 11.687 -4.798 1.00 0.00 N ATOM 739 CA ARG A 57 -2.437 10.733 -4.882 1.00 0.00 C ATOM 740 C ARG A 57 -2.754 9.469 -4.088 1.00 0.00 C ATOM 741 O ARG A 57 -2.461 8.357 -4.527 1.00 0.00 O ATOM 742 CB ARG A 57 -1.145 11.364 -4.361 1.00 0.00 C ATOM 743 CG ARG A 57 -0.386 12.154 -5.415 1.00 0.00 C ATOM 744 CD ARG A 57 0.965 12.621 -4.896 1.00 0.00 C ATOM 745 NE ARG A 57 2.029 11.669 -5.205 1.00 0.00 N ATOM 746 CZ ARG A 57 3.294 11.837 -4.839 1.00 0.00 C ATOM 747 NH1 ARG A 57 3.652 12.913 -4.153 1.00 0.00 N ATOM 748 NH2 ARG A 57 4.205 10.926 -5.158 1.00 0.00 N ATOM 0 H ARG A 57 -3.301 12.562 -4.329 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.304 10.461 -5.929 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.383 12.023 -3.526 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.498 10.578 -3.972 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.243 11.536 -6.301 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.978 13.017 -5.721 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.207 13.589 -5.334 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.909 12.764 -3.817 1.00 0.00 H new ATOM 0 HE ARG A 57 1.787 10.829 -5.731 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.955 13.615 -3.905 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.625 13.039 -3.873 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.933 10.096 -5.685 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.177 11.056 -4.876 1.00 0.00 H new ATOM 759 N PHE A 58 -3.353 9.648 -2.915 1.00 0.00 N ATOM 760 CA PHE A 58 -3.709 8.521 -2.058 1.00 0.00 C ATOM 761 C PHE A 58 -4.743 7.628 -2.736 1.00 0.00 C ATOM 762 O PHE A 58 -4.540 6.423 -2.880 1.00 0.00 O ATOM 763 CB PHE A 58 -4.250 9.023 -0.718 1.00 0.00 C ATOM 764 CG PHE A 58 -4.228 7.983 0.364 1.00 0.00 C ATOM 765 CD1 PHE A 58 -5.013 6.846 0.267 1.00 0.00 C ATOM 766 CD2 PHE A 58 -3.421 8.143 1.480 1.00 0.00 C ATOM 767 CE1 PHE A 58 -4.995 5.888 1.263 1.00 0.00 C ATOM 768 CE2 PHE A 58 -3.399 7.187 2.479 1.00 0.00 C ATOM 769 CZ PHE A 58 -4.186 6.057 2.370 1.00 0.00 C ATOM 0 H PHE A 58 -3.602 10.562 -2.536 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.809 7.933 -1.880 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.662 9.883 -0.397 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.274 9.371 -0.856 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.646 6.706 -0.597 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.803 9.024 1.570 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.614 5.007 1.176 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.767 7.324 3.344 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.169 5.308 3.148 1.00 0.00 H new ATOM 778 N VAL A 59 -5.854 8.229 -3.148 1.00 0.00 N ATOM 779 CA VAL A 59 -6.922 7.490 -3.811 1.00 0.00 C ATOM 780 C VAL A 59 -6.421 6.829 -5.090 1.00 0.00 C ATOM 781 O VAL A 59 -6.881 5.750 -5.466 1.00 0.00 O ATOM 782 CB VAL A 59 -8.112 8.407 -4.153 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.636 9.644 -4.897 1.00 0.00 C ATOM 784 CG2 VAL A 59 -9.150 7.651 -4.968 1.00 0.00 C ATOM 0 H VAL A 59 -6.038 9.226 -3.034 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.254 6.721 -3.113 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.579 8.729 -3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.490 10.280 -5.130 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.933 10.196 -4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.143 9.345 -5.822 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.983 8.314 -5.201 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.698 7.297 -5.895 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.514 6.799 -4.394 1.00 0.00 H new ATOM 794 N ALA A 60 -5.475 7.482 -5.756 1.00 0.00 N ATOM 795 CA ALA A 60 -4.909 6.957 -6.992 1.00 0.00 C ATOM 796 C ALA A 60 -4.071 5.711 -6.727 1.00 0.00 C ATOM 797 O ALA A 60 -4.045 4.784 -7.536 1.00 0.00 O ATOM 798 CB ALA A 60 -4.071 8.022 -7.684 1.00 0.00 C ATOM 0 H ALA A 60 -5.084 8.376 -5.460 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.733 6.676 -7.648 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.655 7.615 -8.606 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.697 8.883 -7.918 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.260 8.332 -7.025 1.00 0.00 H new ATOM 804 N ALA A 61 -3.385 5.696 -5.588 1.00 0.00 N ATOM 805 CA ALA A 61 -2.547 4.564 -5.215 1.00 0.00 C ATOM 806 C ALA A 61 -3.386 3.422 -4.652 1.00 0.00 C ATOM 807 O ALA A 61 -3.079 2.249 -4.864 1.00 0.00 O ATOM 808 CB ALA A 61 -1.494 4.996 -4.206 1.00 0.00 C ATOM 0 H ALA A 61 -3.394 6.456 -4.908 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.046 4.203 -6.113 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.875 4.140 -3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.867 5.773 -4.644 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.984 5.385 -3.313 1.00 0.00 H new ATOM 814 N ALA A 62 -4.447 3.773 -3.932 1.00 0.00 N ATOM 815 CA ALA A 62 -5.330 2.777 -3.339 1.00 0.00 C ATOM 816 C ALA A 62 -5.799 1.768 -4.381 1.00 0.00 C ATOM 817 O ALA A 62 -5.938 0.580 -4.090 1.00 0.00 O ATOM 818 CB ALA A 62 -6.525 3.455 -2.684 1.00 0.00 C ATOM 0 H ALA A 62 -4.715 4.739 -3.746 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.768 2.238 -2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.176 2.699 -2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.177 4.132 -1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.079 4.020 -3.434 1.00 0.00 H new ATOM 824 N ALA A 63 -6.041 2.248 -5.597 1.00 0.00 N ATOM 825 CA ALA A 63 -6.492 1.387 -6.683 1.00 0.00 C ATOM 826 C ALA A 63 -5.515 0.239 -6.916 1.00 0.00 C ATOM 827 O ALA A 63 -5.905 -0.842 -7.355 1.00 0.00 O ATOM 828 CB ALA A 63 -6.672 2.196 -7.958 1.00 0.00 C ATOM 0 H ALA A 63 -5.932 3.229 -5.854 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.453 0.959 -6.399 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.009 1.540 -8.761 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.414 2.977 -7.792 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.722 2.652 -8.237 1.00 0.00 H new ATOM 834 N LYS A 64 -4.243 0.482 -6.618 1.00 0.00 N ATOM 835 CA LYS A 64 -3.208 -0.531 -6.795 1.00 0.00 C ATOM 836 C LYS A 64 -3.299 -1.595 -5.706 1.00 0.00 C ATOM 837 O LYS A 64 -3.205 -2.791 -5.984 1.00 0.00 O ATOM 838 CB LYS A 64 -1.822 0.117 -6.775 1.00 0.00 C ATOM 839 CG LYS A 64 -0.908 -0.370 -7.886 1.00 0.00 C ATOM 840 CD LYS A 64 -0.674 -1.869 -7.799 1.00 0.00 C ATOM 841 CE LYS A 64 0.076 -2.387 -9.016 1.00 0.00 C ATOM 842 NZ LYS A 64 1.411 -1.743 -9.161 1.00 0.00 N ATOM 0 H LYS A 64 -3.904 1.372 -6.253 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.364 -1.010 -7.762 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.934 1.198 -6.856 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.350 -0.084 -5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.347 -0.125 -8.853 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.047 0.152 -7.828 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.108 -2.098 -6.896 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.631 -2.383 -7.714 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.201 -3.467 -8.933 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.516 -2.202 -9.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.931 -2.194 -9.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.288 -0.731 -9.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.948 -1.853 -8.277 1.00 0.00 H new ATOM 852 N VAL A 65 -3.483 -1.153 -4.467 1.00 0.00 N ATOM 853 CA VAL A 65 -3.588 -2.069 -3.336 1.00 0.00 C ATOM 854 C VAL A 65 -4.892 -2.858 -3.389 1.00 0.00 C ATOM 855 O VAL A 65 -4.915 -4.057 -3.112 1.00 0.00 O ATOM 856 CB VAL A 65 -3.510 -1.316 -1.995 1.00 0.00 C ATOM 857 CG1 VAL A 65 -3.408 -2.297 -0.836 1.00 0.00 C ATOM 858 CG2 VAL A 65 -2.335 -0.351 -1.994 1.00 0.00 C ATOM 0 H VAL A 65 -3.563 -0.167 -4.220 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.746 -2.758 -3.406 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.425 -0.737 -1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.354 -1.746 0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.286 -2.943 -0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.511 -2.905 -0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.295 0.173 -1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.409 -0.906 -2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.458 0.373 -2.800 1.00 0.00 H new ATOM 868 N ASN A 66 -5.976 -2.176 -3.745 1.00 0.00 N ATOM 869 CA ASN A 66 -7.285 -2.814 -3.833 1.00 0.00 C ATOM 870 C ASN A 66 -7.316 -3.837 -4.965 1.00 0.00 C ATOM 871 O ASN A 66 -7.765 -4.969 -4.782 1.00 0.00 O ATOM 872 CB ASN A 66 -8.374 -1.762 -4.051 1.00 0.00 C ATOM 873 CG ASN A 66 -9.609 -2.338 -4.717 1.00 0.00 C ATOM 874 OD1 ASN A 66 -9.616 -2.347 -6.045 1.00 0.00 O flip ATOM 875 ND2 ASN A 66 -10.546 -2.769 -4.045 1.00 0.00 N flip ATOM 0 H ASN A 66 -5.974 -1.183 -3.977 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.473 -3.333 -2.893 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.652 -1.326 -3.091 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.977 -0.954 -4.665 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.498 -2.742 -3.026 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.371 -3.153 -4.507 1.00 0.00 H new ATOM 881 N THR A 67 -6.835 -3.431 -6.137 1.00 0.00 N ATOM 882 CA THR A 67 -6.808 -4.310 -7.298 1.00 0.00 C ATOM 883 C THR A 67 -5.898 -5.509 -7.059 1.00 0.00 C ATOM 884 O THR A 67 -6.155 -6.606 -7.556 1.00 0.00 O ATOM 885 CB THR A 67 -6.334 -3.562 -8.558 1.00 0.00 C ATOM 886 OG1 THR A 67 -7.235 -2.492 -8.861 1.00 0.00 O ATOM 887 CG2 THR A 67 -6.242 -4.507 -9.746 1.00 0.00 C ATOM 0 H THR A 67 -6.459 -2.498 -6.306 1.00 0.00 H new ATOM 0 HA THR A 67 -7.829 -4.658 -7.454 1.00 0.00 H new ATOM 0 HB THR A 67 -5.342 -3.155 -8.360 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.839 -1.641 -8.578 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.905 -3.956 -10.624 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.532 -5.304 -9.523 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.223 -4.940 -9.943 1.00 0.00 H new ATOM 895 N LEU A 68 -4.833 -5.293 -6.295 1.00 0.00 N ATOM 896 CA LEU A 68 -3.883 -6.358 -5.989 1.00 0.00 C ATOM 897 C LEU A 68 -4.450 -7.308 -4.938 1.00 0.00 C ATOM 898 O LEU A 68 -4.096 -8.488 -4.897 1.00 0.00 O ATOM 899 CB LEU A 68 -2.563 -5.764 -5.495 1.00 0.00 C ATOM 900 CG LEU A 68 -1.640 -5.194 -6.573 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.465 -4.465 -5.939 1.00 0.00 C ATOM 902 CD2 LEU A 68 -1.147 -6.301 -7.493 1.00 0.00 C ATOM 0 H LEU A 68 -4.605 -4.391 -5.876 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.701 -6.923 -6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.788 -4.971 -4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.020 -6.537 -4.952 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.208 -4.479 -7.168 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.181 -4.066 -6.721 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.835 -3.646 -5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.102 -5.159 -5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.492 -5.877 -8.254 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.596 -7.040 -6.911 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.999 -6.780 -7.975 1.00 0.00 H new ATOM 913 N LEU A 69 -5.332 -6.788 -4.093 1.00 0.00 N ATOM 914 CA LEU A 69 -5.951 -7.591 -3.043 1.00 0.00 C ATOM 915 C LEU A 69 -6.963 -8.568 -3.630 1.00 0.00 C ATOM 916 O LEU A 69 -7.182 -9.652 -3.088 1.00 0.00 O ATOM 917 CB LEU A 69 -6.634 -6.685 -2.017 1.00 0.00 C ATOM 918 CG LEU A 69 -5.911 -6.520 -0.680 1.00 0.00 C ATOM 919 CD1 LEU A 69 -6.694 -5.596 0.240 1.00 0.00 C ATOM 920 CD2 LEU A 69 -5.694 -7.874 -0.020 1.00 0.00 C ATOM 0 H LEU A 69 -5.635 -5.814 -4.113 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.167 -8.164 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.762 -5.698 -2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.631 -7.079 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.936 -6.070 -0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.164 -5.491 1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.797 -4.617 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.683 -6.017 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.178 -7.737 0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.658 -8.352 0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.090 -8.504 -0.673 1.00 0.00 H new ATOM 931 N ASP A 70 -7.577 -8.179 -4.742 1.00 0.00 N ATOM 932 CA ASP A 70 -8.564 -9.023 -5.406 1.00 0.00 C ATOM 933 C ASP A 70 -7.885 -10.141 -6.190 1.00 0.00 C ATOM 934 O ASP A 70 -8.256 -11.309 -6.073 1.00 0.00 O ATOM 935 CB ASP A 70 -9.437 -8.184 -6.341 1.00 0.00 C ATOM 936 CG ASP A 70 -10.877 -8.654 -6.367 1.00 0.00 C ATOM 937 OD1 ASP A 70 -11.629 -8.314 -5.430 1.00 0.00 O ATOM 938 OD2 ASP A 70 -11.253 -9.362 -7.324 1.00 0.00 O ATOM 0 H ASP A 70 -7.409 -7.285 -5.203 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.195 -9.474 -4.640 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.404 -7.141 -6.025 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.027 -8.225 -7.350 1.00 0.00 H new ATOM 942 N VAL A 71 -6.889 -9.774 -6.990 1.00 0.00 N ATOM 943 CA VAL A 71 -6.158 -10.747 -7.794 1.00 0.00 C ATOM 944 C VAL A 71 -5.467 -11.781 -6.912 1.00 0.00 C ATOM 945 O VAL A 71 -5.328 -12.943 -7.293 1.00 0.00 O ATOM 946 CB VAL A 71 -5.103 -10.061 -8.682 1.00 0.00 C ATOM 947 CG1 VAL A 71 -5.771 -9.128 -9.681 1.00 0.00 C ATOM 948 CG2 VAL A 71 -4.095 -9.307 -7.828 1.00 0.00 C ATOM 0 H VAL A 71 -6.570 -8.811 -7.099 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.890 -11.246 -8.429 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.568 -10.830 -9.240 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.010 -8.652 -10.300 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.449 -9.699 -10.315 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.333 -8.363 -9.145 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.357 -8.829 -8.473 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.611 -8.547 -7.241 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.593 -10.004 -7.157 1.00 0.00 H new ATOM 958 N ALA A 72 -5.037 -11.351 -5.730 1.00 0.00 N ATOM 959 CA ALA A 72 -4.362 -12.240 -4.793 1.00 0.00 C ATOM 960 C ALA A 72 -5.294 -13.353 -4.327 1.00 0.00 C ATOM 961 O ALA A 72 -4.927 -14.528 -4.343 1.00 0.00 O ATOM 962 CB ALA A 72 -3.841 -11.452 -3.600 1.00 0.00 C ATOM 0 H ALA A 72 -5.144 -10.392 -5.399 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.518 -12.699 -5.308 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.339 -12.129 -2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.136 -10.695 -3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.675 -10.967 -3.092 1.00 0.00 H new ATOM 968 N GLN A 73 -6.500 -12.977 -3.911 1.00 0.00 N ATOM 969 CA GLN A 73 -7.482 -13.945 -3.439 1.00 0.00 C ATOM 970 C GLN A 73 -8.032 -14.771 -4.598 1.00 0.00 C ATOM 971 O GLN A 73 -8.341 -15.951 -4.439 1.00 0.00 O ATOM 972 CB GLN A 73 -8.626 -13.231 -2.718 1.00 0.00 C ATOM 973 CG GLN A 73 -8.188 -12.491 -1.464 1.00 0.00 C ATOM 974 CD GLN A 73 -9.355 -12.096 -0.582 1.00 0.00 C ATOM 975 OE1 GLN A 73 -10.231 -11.334 -0.994 1.00 0.00 O ATOM 976 NE2 GLN A 73 -9.373 -12.611 0.642 1.00 0.00 N ATOM 0 H GLN A 73 -6.820 -12.009 -3.892 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.986 -14.618 -2.740 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.091 -12.523 -3.404 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.388 -13.963 -2.450 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.505 -13.121 -0.895 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.634 -11.597 -1.749 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.627 -13.238 0.942 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.133 -12.379 1.282 1.00 0.00 H new ATOM 983 N ALA A 74 -8.151 -14.142 -5.762 1.00 0.00 N ATOM 984 CA ALA A 74 -8.663 -14.819 -6.947 1.00 0.00 C ATOM 985 C ALA A 74 -7.672 -15.862 -7.453 1.00 0.00 C ATOM 986 O ALA A 74 -8.026 -17.022 -7.653 1.00 0.00 O ATOM 987 CB ALA A 74 -8.974 -13.807 -8.040 1.00 0.00 C ATOM 0 H ALA A 74 -7.900 -13.165 -5.910 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.584 -15.334 -6.673 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.355 -14.327 -8.919 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.724 -13.103 -7.681 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.065 -13.266 -8.304 1.00 0.00 H new ATOM 993 N ASN A 75 -6.429 -15.439 -7.660 1.00 0.00 N ATOM 994 CA ASN A 75 -5.387 -16.336 -8.146 1.00 0.00 C ATOM 995 C ASN A 75 -5.225 -17.534 -7.215 1.00 0.00 C ATOM 996 O ASN A 75 -4.959 -18.650 -7.663 1.00 0.00 O ATOM 997 CB ASN A 75 -4.057 -15.589 -8.269 1.00 0.00 C ATOM 998 CG ASN A 75 -3.886 -14.935 -9.626 1.00 0.00 C ATOM 999 OD1 ASN A 75 -3.335 -15.533 -10.551 1.00 0.00 O ATOM 1000 ND2 ASN A 75 -4.359 -13.701 -9.753 1.00 0.00 N ATOM 0 H ASN A 75 -6.119 -14.481 -7.499 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.684 -16.699 -9.130 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.998 -14.827 -7.491 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.235 -16.284 -8.097 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.273 -13.211 -10.643 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -4.809 -13.243 -8.960 1.00 0.00 H new ATOM 1006 N LEU A 76 -5.386 -17.296 -5.918 1.00 0.00 N ATOM 1007 CA LEU A 76 -5.258 -18.354 -4.924 1.00 0.00 C ATOM 1008 C LEU A 76 -6.553 -19.154 -4.810 1.00 0.00 C ATOM 1009 O LEU A 76 -6.542 -20.320 -4.419 1.00 0.00 O ATOM 1010 CB LEU A 76 -4.891 -17.761 -3.563 1.00 0.00 C ATOM 1011 CG LEU A 76 -3.539 -17.051 -3.482 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -3.393 -16.329 -2.152 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -2.403 -18.044 -3.680 1.00 0.00 C ATOM 0 H LEU A 76 -5.606 -16.378 -5.531 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.463 -19.027 -5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.668 -17.053 -3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.902 -18.563 -2.825 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.491 -16.310 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.425 -15.830 -2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.187 -15.589 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.463 -17.050 -1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.448 -17.522 -3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.448 -18.808 -2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.497 -18.515 -4.659 1.00 0.00 H new ATOM 1024 N GLY A 77 -7.668 -18.517 -5.156 1.00 0.00 N ATOM 1025 CA GLY A 77 -8.955 -19.185 -5.088 1.00 0.00 C ATOM 1026 C GLY A 77 -9.463 -19.321 -3.667 1.00 0.00 C ATOM 1027 O GLY A 77 -10.413 -18.646 -3.274 1.00 0.00 O ATOM 0 H GLY A 77 -7.703 -17.551 -5.482 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.682 -18.627 -5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.871 -20.175 -5.537 1.00 0.00 H new ATOM 1031 N GLU A 78 -8.829 -20.198 -2.895 1.00 0.00 N ATOM 1032 CA GLU A 78 -9.224 -20.422 -1.510 1.00 0.00 C ATOM 1033 C GLU A 78 -9.298 -19.103 -0.745 1.00 0.00 C ATOM 1034 O GLU A 78 -10.262 -18.843 -0.026 1.00 0.00 O ATOM 1035 CB GLU A 78 -8.241 -21.369 -0.820 1.00 0.00 C ATOM 1036 CG GLU A 78 -8.872 -22.673 -0.359 1.00 0.00 C ATOM 1037 CD GLU A 78 -8.675 -23.800 -1.354 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -7.566 -24.375 -1.388 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -9.629 -24.108 -2.099 1.00 0.00 O ATOM 0 H GLU A 78 -8.040 -20.765 -3.206 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.214 -20.878 -1.512 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.424 -21.593 -1.506 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.805 -20.862 0.041 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.442 -22.961 0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.939 -22.519 -0.197 1.00 0.00 H new ATOM 1044 N ALA A 79 -8.271 -18.276 -0.905 1.00 0.00 N ATOM 1045 CA ALA A 79 -8.218 -16.983 -0.232 1.00 0.00 C ATOM 1046 C ALA A 79 -9.469 -16.161 -0.524 1.00 0.00 C ATOM 1047 O ALA A 79 -9.868 -15.316 0.276 1.00 0.00 O ATOM 1048 CB ALA A 79 -6.971 -16.220 -0.653 1.00 0.00 C ATOM 0 H ALA A 79 -7.464 -18.478 -1.495 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.175 -17.161 0.843 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.944 -15.257 -0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.085 -16.796 -0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.989 -16.059 -1.731 1.00 0.00 H new ATOM 1533 N ALA B 620 2.606 12.177 12.516 1.00 0.00 N ATOM 1534 CA ALA B 620 2.542 11.775 11.116 1.00 0.00 C ATOM 1535 C ALA B 620 3.144 10.389 10.915 1.00 0.00 C ATOM 1536 O ALA B 620 2.740 9.651 10.016 1.00 0.00 O ATOM 1537 CB ALA B 620 3.256 12.796 10.241 1.00 0.00 C ATOM 0 HA ALA B 620 1.493 11.732 10.823 1.00 0.00 H new ATOM 0 HB1 ALA B 620 3.201 12.484 9.198 1.00 0.00 H new ATOM 0 HB2 ALA B 620 2.779 13.769 10.354 1.00 0.00 H new ATOM 0 HB3 ALA B 620 4.301 12.867 10.543 1.00 0.00 H new ATOM 1543 N GLY B 621 4.113 10.041 11.756 1.00 0.00 N ATOM 1544 CA GLY B 621 4.754 8.744 11.652 1.00 0.00 C ATOM 1545 C GLY B 621 3.757 7.604 11.622 1.00 0.00 C ATOM 1546 O GLY B 621 4.017 6.558 11.026 1.00 0.00 O ATOM 0 H GLY B 621 4.465 10.634 12.507 1.00 0.00 H new ATOM 0 HA2 GLY B 621 5.362 8.714 10.748 1.00 0.00 H new ATOM 0 HA3 GLY B 621 5.431 8.608 12.496 1.00 0.00 H new ATOM 1550 N TYR B 622 2.613 7.804 12.266 1.00 0.00 N ATOM 1551 CA TYR B 622 1.574 6.781 12.315 1.00 0.00 C ATOM 1552 C TYR B 622 1.258 6.259 10.917 1.00 0.00 C ATOM 1553 O TYR B 622 0.907 5.093 10.743 1.00 0.00 O ATOM 1554 CB TYR B 622 0.306 7.344 12.960 1.00 0.00 C ATOM 1555 CG TYR B 622 -0.710 7.848 11.961 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -0.521 9.052 11.296 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -1.859 7.118 11.680 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -1.448 9.517 10.382 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -2.789 7.573 10.767 1.00 0.00 C ATOM 1560 CZ TYR B 622 -2.580 8.774 10.121 1.00 0.00 C ATOM 1561 OH TYR B 622 -3.504 9.232 9.210 1.00 0.00 O ATOM 0 H TYR B 622 2.381 8.665 12.762 1.00 0.00 H new ATOM 0 HA TYR B 622 1.943 5.952 12.918 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -0.154 6.569 13.574 1.00 0.00 H new ATOM 0 HB3 TYR B 622 0.580 8.160 13.629 1.00 0.00 H new ATOM 0 HD1 TYR B 622 0.366 9.635 11.496 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -2.027 6.178 12.185 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -1.287 10.457 9.875 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -3.675 6.992 10.560 1.00 0.00 H new ATOM 0 HH TYR B 622 -3.282 10.151 8.953 1.00 0.00 H new ATOM 1570 N ALA B 623 1.385 7.133 9.924 1.00 0.00 N ATOM 1571 CA ALA B 623 1.117 6.761 8.541 1.00 0.00 C ATOM 1572 C ALA B 623 1.871 5.492 8.156 1.00 0.00 C ATOM 1573 O ALA B 623 1.392 4.692 7.353 1.00 0.00 O ATOM 1574 CB ALA B 623 1.489 7.902 7.605 1.00 0.00 C ATOM 0 H ALA B 623 1.672 8.103 10.052 1.00 0.00 H new ATOM 0 HA ALA B 623 0.050 6.561 8.446 1.00 0.00 H new ATOM 0 HB1 ALA B 623 1.283 7.610 6.575 1.00 0.00 H new ATOM 0 HB2 ALA B 623 0.901 8.785 7.856 1.00 0.00 H new ATOM 0 HB3 ALA B 623 2.549 8.130 7.713 1.00 0.00 H new ATOM 1580 N GLY B 624 3.054 5.314 8.737 1.00 0.00 N ATOM 1581 CA GLY B 624 3.855 4.141 8.441 1.00 0.00 C ATOM 1582 C GLY B 624 3.097 2.848 8.671 1.00 0.00 C ATOM 1583 O GLY B 624 3.423 1.815 8.084 1.00 0.00 O ATOM 0 H GLY B 624 3.471 5.961 9.407 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.187 4.184 7.404 1.00 0.00 H new ATOM 0 HA3 GLY B 624 4.750 4.150 9.063 1.00 0.00 H new ATOM 1587 N THR B 625 2.083 2.903 9.529 1.00 0.00 N ATOM 1588 CA THR B 625 1.278 1.728 9.838 1.00 0.00 C ATOM 1589 C THR B 625 0.698 1.110 8.570 1.00 0.00 C ATOM 1590 O THR B 625 0.529 -0.106 8.481 1.00 0.00 O ATOM 1591 CB THR B 625 0.127 2.071 10.801 1.00 0.00 C ATOM 1592 OG1 THR B 625 0.649 2.643 12.005 1.00 0.00 O ATOM 1593 CG2 THR B 625 -0.688 0.832 11.135 1.00 0.00 C ATOM 0 H THR B 625 1.800 3.750 10.022 1.00 0.00 H new ATOM 0 HA THR B 625 1.941 1.009 10.319 1.00 0.00 H new ATOM 0 HB THR B 625 -0.525 2.793 10.309 1.00 0.00 H new ATOM 0 HG1 THR B 625 0.855 3.589 11.855 1.00 0.00 H new ATOM 0 HG21 THR B 625 -1.495 1.100 11.817 1.00 0.00 H new ATOM 0 HG22 THR B 625 -1.109 0.416 10.220 1.00 0.00 H new ATOM 0 HG23 THR B 625 -0.045 0.090 11.608 1.00 0.00 H new ATOM 1601 N LEU B 626 0.396 1.956 7.591 1.00 0.00 N ATOM 1602 CA LEU B 626 -0.165 1.493 6.327 1.00 0.00 C ATOM 1603 C LEU B 626 0.863 0.688 5.537 1.00 0.00 C ATOM 1604 O LEU B 626 0.544 -0.359 4.974 1.00 0.00 O ATOM 1605 CB LEU B 626 -0.648 2.682 5.494 1.00 0.00 C ATOM 1606 CG LEU B 626 -2.055 3.194 5.807 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -2.123 3.731 7.228 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -2.466 4.268 4.810 1.00 0.00 C ATOM 0 H LEU B 626 0.530 2.965 7.648 1.00 0.00 H new ATOM 0 HA LEU B 626 -1.013 0.845 6.550 1.00 0.00 H new ATOM 0 HB2 LEU B 626 0.055 3.504 5.630 1.00 0.00 H new ATOM 0 HB3 LEU B 626 -0.611 2.401 4.441 1.00 0.00 H new ATOM 0 HG LEU B 626 -2.752 2.360 5.721 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -3.131 4.091 7.433 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -1.872 2.936 7.930 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -1.415 4.552 7.341 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -3.470 4.621 5.048 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -1.766 5.102 4.864 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -2.457 3.852 3.803 1.00 0.00 H new ATOM 1619 N GLN B 627 2.094 1.185 5.501 1.00 0.00 N ATOM 1620 CA GLN B 627 3.169 0.511 4.782 1.00 0.00 C ATOM 1621 C GLN B 627 3.569 -0.781 5.487 1.00 0.00 C ATOM 1622 O GLN B 627 3.676 -1.834 4.859 1.00 0.00 O ATOM 1623 CB GLN B 627 4.382 1.433 4.654 1.00 0.00 C ATOM 1624 CG GLN B 627 5.131 1.275 3.340 1.00 0.00 C ATOM 1625 CD GLN B 627 6.388 2.121 3.279 1.00 0.00 C ATOM 1626 OE1 GLN B 627 6.604 2.864 2.322 1.00 0.00 O ATOM 1627 NE2 GLN B 627 7.226 2.010 4.304 1.00 0.00 N ATOM 0 H GLN B 627 2.373 2.052 5.961 1.00 0.00 H new ATOM 0 HA GLN B 627 2.805 0.262 3.785 1.00 0.00 H new ATOM 0 HB2 GLN B 627 4.054 2.468 4.753 1.00 0.00 H new ATOM 0 HB3 GLN B 627 5.067 1.235 5.479 1.00 0.00 H new ATOM 0 HG2 GLN B 627 5.396 0.227 3.201 1.00 0.00 H new ATOM 0 HG3 GLN B 627 4.473 1.549 2.516 1.00 0.00 H new ATOM 0 HE21 GLN B 627 7.006 1.381 5.077 1.00 0.00 H new ATOM 0 HE22 GLN B 627 8.089 2.554 4.318 1.00 0.00 H new ATOM 1634 N SER B 628 3.790 -0.692 6.794 1.00 0.00 N ATOM 1635 CA SER B 628 4.183 -1.853 7.584 1.00 0.00 C ATOM 1636 C SER B 628 3.163 -2.979 7.439 1.00 0.00 C ATOM 1637 O SER B 628 3.519 -4.118 7.133 1.00 0.00 O ATOM 1638 CB SER B 628 4.328 -1.468 9.058 1.00 0.00 C ATOM 1639 OG SER B 628 4.814 -2.557 9.824 1.00 0.00 O ATOM 0 H SER B 628 3.704 0.172 7.329 1.00 0.00 H new ATOM 0 HA SER B 628 5.145 -2.207 7.212 1.00 0.00 H new ATOM 0 HB2 SER B 628 5.009 -0.622 9.151 1.00 0.00 H new ATOM 0 HB3 SER B 628 3.363 -1.146 9.450 1.00 0.00 H new ATOM 0 HG SER B 628 4.899 -2.285 10.762 1.00 0.00 H new ATOM 1644 N LEU B 629 1.895 -2.652 7.660 1.00 0.00 N ATOM 1645 CA LEU B 629 0.822 -3.635 7.554 1.00 0.00 C ATOM 1646 C LEU B 629 0.846 -4.323 6.193 1.00 0.00 C ATOM 1647 O LEU B 629 0.559 -5.514 6.082 1.00 0.00 O ATOM 1648 CB LEU B 629 -0.534 -2.964 7.775 1.00 0.00 C ATOM 1649 CG LEU B 629 -1.674 -3.882 8.217 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -2.693 -3.110 9.039 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -2.338 -4.529 7.010 1.00 0.00 C ATOM 0 H LEU B 629 1.584 -1.714 7.914 1.00 0.00 H new ATOM 0 HA LEU B 629 0.977 -4.390 8.325 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -0.412 -2.183 8.525 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -0.829 -2.473 6.848 1.00 0.00 H new ATOM 0 HG LEU B 629 -1.257 -4.671 8.842 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -3.497 -3.780 9.345 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -2.209 -2.697 9.924 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -3.105 -2.299 8.439 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -3.147 -5.179 7.344 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -2.741 -3.754 6.358 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -1.602 -5.118 6.462 1.00 0.00 H new ATOM 1662 N GLY B 630 1.193 -3.564 5.157 1.00 0.00 N ATOM 1663 CA GLY B 630 1.250 -4.118 3.818 1.00 0.00 C ATOM 1664 C GLY B 630 2.153 -5.332 3.730 1.00 0.00 C ATOM 1665 O GLY B 630 1.815 -6.320 3.079 1.00 0.00 O ATOM 0 H GLY B 630 1.435 -2.575 5.222 1.00 0.00 H new ATOM 0 HA2 GLY B 630 0.245 -4.393 3.499 1.00 0.00 H new ATOM 0 HA3 GLY B 630 1.606 -3.354 3.127 1.00 0.00 H new ATOM 1669 N ALA B 631 3.306 -5.260 4.388 1.00 0.00 N ATOM 1670 CA ALA B 631 4.259 -6.362 4.382 1.00 0.00 C ATOM 1671 C ALA B 631 3.595 -7.665 4.813 1.00 0.00 C ATOM 1672 O ALA B 631 3.864 -8.725 4.249 1.00 0.00 O ATOM 1673 CB ALA B 631 5.440 -6.043 5.289 1.00 0.00 C ATOM 0 H ALA B 631 3.602 -4.449 4.932 1.00 0.00 H new ATOM 0 HA ALA B 631 4.622 -6.491 3.362 1.00 0.00 H new ATOM 0 HB1 ALA B 631 6.144 -6.875 5.275 1.00 0.00 H new ATOM 0 HB2 ALA B 631 5.938 -5.140 4.935 1.00 0.00 H new ATOM 0 HB3 ALA B 631 5.085 -5.885 6.307 1.00 0.00 H new ATOM 1679 N GLU B 632 2.728 -7.577 5.816 1.00 0.00 N ATOM 1680 CA GLU B 632 2.027 -8.752 6.323 1.00 0.00 C ATOM 1681 C GLU B 632 1.267 -9.457 5.204 1.00 0.00 C ATOM 1682 O GLU B 632 1.225 -10.686 5.147 1.00 0.00 O ATOM 1683 CB GLU B 632 1.059 -8.352 7.438 1.00 0.00 C ATOM 1684 CG GLU B 632 1.749 -7.822 8.684 1.00 0.00 C ATOM 1685 CD GLU B 632 2.334 -8.927 9.542 1.00 0.00 C ATOM 1686 OE1 GLU B 632 1.678 -9.980 9.684 1.00 0.00 O ATOM 1687 OE2 GLU B 632 3.450 -8.739 10.071 1.00 0.00 O ATOM 0 H GLU B 632 2.494 -6.707 6.293 1.00 0.00 H new ATOM 0 HA GLU B 632 2.769 -9.442 6.725 1.00 0.00 H new ATOM 0 HB2 GLU B 632 0.377 -7.591 7.059 1.00 0.00 H new ATOM 0 HB3 GLU B 632 0.453 -9.217 7.709 1.00 0.00 H new ATOM 0 HG2 GLU B 632 2.543 -7.136 8.391 1.00 0.00 H new ATOM 0 HG3 GLU B 632 1.034 -7.249 9.274 1.00 0.00 H new ATOM 1692 N ILE B 633 0.669 -8.671 4.316 1.00 0.00 N ATOM 1693 CA ILE B 633 -0.089 -9.219 3.198 1.00 0.00 C ATOM 1694 C ILE B 633 0.840 -9.807 2.141 1.00 0.00 C ATOM 1695 O ILE B 633 0.503 -10.792 1.482 1.00 0.00 O ATOM 1696 CB ILE B 633 -0.980 -8.148 2.543 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -1.927 -7.538 3.578 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.766 -8.749 1.386 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -2.633 -6.292 3.092 1.00 0.00 C ATOM 0 H ILE B 633 0.695 -7.652 4.349 1.00 0.00 H new ATOM 0 HA ILE B 633 -0.722 -10.009 3.603 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.342 -7.356 2.151 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -2.673 -8.282 3.859 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -1.362 -7.297 4.478 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.391 -7.980 0.933 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -1.074 -9.140 0.640 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.396 -9.558 1.756 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -3.288 -5.915 3.878 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -1.895 -5.531 2.838 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -3.226 -6.531 2.209 1.00 0.00 H new ATOM 1710 N ALA B 634 2.012 -9.200 1.986 1.00 0.00 N ATOM 1711 CA ALA B 634 2.991 -9.666 1.013 1.00 0.00 C ATOM 1712 C ALA B 634 3.593 -11.001 1.434 1.00 0.00 C ATOM 1713 O ALA B 634 3.840 -11.873 0.602 1.00 0.00 O ATOM 1714 CB ALA B 634 4.087 -8.626 0.826 1.00 0.00 C ATOM 0 H ALA B 634 2.306 -8.384 2.522 1.00 0.00 H new ATOM 0 HA ALA B 634 2.478 -9.813 0.062 1.00 0.00 H new ATOM 0 HB1 ALA B 634 4.811 -8.988 0.096 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.648 -7.694 0.470 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.588 -8.450 1.778 1.00 0.00 H new ATOM 1720 N VAL B 635 3.826 -11.155 2.734 1.00 0.00 N ATOM 1721 CA VAL B 635 4.398 -12.387 3.267 1.00 0.00 C ATOM 1722 C VAL B 635 3.356 -13.497 3.326 1.00 0.00 C ATOM 1723 O VAL B 635 3.682 -14.675 3.186 1.00 0.00 O ATOM 1724 CB VAL B 635 4.981 -12.169 4.675 1.00 0.00 C ATOM 1725 CG1 VAL B 635 3.900 -11.693 5.634 1.00 0.00 C ATOM 1726 CG2 VAL B 635 5.630 -13.447 5.186 1.00 0.00 C ATOM 0 H VAL B 635 3.628 -10.443 3.437 1.00 0.00 H new ATOM 0 HA VAL B 635 5.200 -12.683 2.591 1.00 0.00 H new ATOM 0 HB VAL B 635 5.747 -11.396 4.615 1.00 0.00 H new ATOM 0 HG11 VAL B 635 4.331 -11.545 6.624 1.00 0.00 H new ATOM 0 HG12 VAL B 635 3.484 -10.752 5.275 1.00 0.00 H new ATOM 0 HG13 VAL B 635 3.109 -12.441 5.691 1.00 0.00 H new ATOM 0 HG21 VAL B 635 6.037 -13.275 6.182 1.00 0.00 H new ATOM 0 HG22 VAL B 635 4.885 -14.241 5.230 1.00 0.00 H new ATOM 0 HG23 VAL B 635 6.434 -13.742 4.512 1.00 0.00 H new ATOM 1736 N GLU B 636 2.101 -13.112 3.533 1.00 0.00 N ATOM 1737 CA GLU B 636 1.009 -14.077 3.611 1.00 0.00 C ATOM 1738 C GLU B 636 0.861 -14.837 2.295 1.00 0.00 C ATOM 1739 O GLU B 636 0.850 -16.068 2.278 1.00 0.00 O ATOM 1740 CB GLU B 636 -0.303 -13.370 3.954 1.00 0.00 C ATOM 1741 CG GLU B 636 -0.762 -13.600 5.384 1.00 0.00 C ATOM 1742 CD GLU B 636 -1.035 -15.062 5.681 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -1.806 -15.687 4.924 1.00 0.00 O ATOM 1744 OE2 GLU B 636 -0.477 -15.580 6.671 1.00 0.00 O ATOM 0 H GLU B 636 1.815 -12.140 3.650 1.00 0.00 H new ATOM 0 HA GLU B 636 1.245 -14.791 4.400 1.00 0.00 H new ATOM 0 HB2 GLU B 636 -0.183 -12.299 3.787 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -1.081 -13.714 3.272 1.00 0.00 H new ATOM 0 HG2 GLU B 636 -0.000 -13.230 6.070 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -1.666 -13.020 5.569 1.00 0.00 H new ATOM 1749 N GLN B 637 0.748 -14.095 1.199 1.00 0.00 N ATOM 1750 CA GLN B 637 0.599 -14.698 -0.120 1.00 0.00 C ATOM 1751 C GLN B 637 1.859 -15.463 -0.514 1.00 0.00 C ATOM 1752 O GLN B 637 1.795 -16.443 -1.255 1.00 0.00 O ATOM 1753 CB GLN B 637 0.292 -13.624 -1.164 1.00 0.00 C ATOM 1754 CG GLN B 637 1.497 -12.775 -1.535 1.00 0.00 C ATOM 1755 CD GLN B 637 2.188 -13.262 -2.794 1.00 0.00 C ATOM 1756 OE1 GLN B 637 1.539 -13.711 -3.738 1.00 0.00 O ATOM 1757 NE2 GLN B 637 3.513 -13.174 -2.813 1.00 0.00 N ATOM 0 H GLN B 637 0.757 -13.075 1.198 1.00 0.00 H new ATOM 0 HA GLN B 637 -0.233 -15.401 -0.078 1.00 0.00 H new ATOM 0 HB2 GLN B 637 -0.095 -14.103 -2.063 1.00 0.00 H new ATOM 0 HB3 GLN B 637 -0.497 -12.975 -0.784 1.00 0.00 H new ATOM 0 HG2 GLN B 637 1.179 -11.742 -1.676 1.00 0.00 H new ATOM 0 HG3 GLN B 637 2.209 -12.780 -0.709 1.00 0.00 H new ATOM 0 HE21 GLN B 637 4.011 -12.795 -2.007 1.00 0.00 H new ATOM 0 HE22 GLN B 637 4.033 -13.486 -3.633 1.00 0.00 H new ATOM 1764 N ALA B 638 3.003 -15.007 -0.013 1.00 0.00 N ATOM 1765 CA ALA B 638 4.277 -15.648 -0.312 1.00 0.00 C ATOM 1766 C ALA B 638 4.270 -17.110 0.122 1.00 0.00 C ATOM 1767 O ALA B 638 5.018 -17.929 -0.411 1.00 0.00 O ATOM 1768 CB ALA B 638 5.416 -14.899 0.363 1.00 0.00 C ATOM 0 H ALA B 638 3.073 -14.196 0.602 1.00 0.00 H new ATOM 0 HA ALA B 638 4.427 -15.618 -1.391 1.00 0.00 H new ATOM 0 HB1 ALA B 638 6.362 -15.389 0.131 1.00 0.00 H new ATOM 0 HB2 ALA B 638 5.441 -13.871 0.000 1.00 0.00 H new ATOM 0 HB3 ALA B 638 5.263 -14.899 1.442 1.00 0.00 H new ATOM 1774 N ALA B 639 3.423 -17.430 1.094 1.00 0.00 N ATOM 1775 CA ALA B 639 3.319 -18.793 1.598 1.00 0.00 C ATOM 1776 C ALA B 639 2.414 -19.641 0.710 1.00 0.00 C ATOM 1777 O ALA B 639 2.529 -20.867 0.677 1.00 0.00 O ATOM 1778 CB ALA B 639 2.801 -18.789 3.029 1.00 0.00 C ATOM 0 H ALA B 639 2.799 -16.763 1.548 1.00 0.00 H new ATOM 0 HA ALA B 639 4.315 -19.235 1.584 1.00 0.00 H new ATOM 0 HB1 ALA B 639 2.728 -19.814 3.393 1.00 0.00 H new ATOM 0 HB2 ALA B 639 3.487 -18.227 3.663 1.00 0.00 H new ATOM 0 HB3 ALA B 639 1.816 -18.323 3.058 1.00 0.00 H new ATOM 1784 N LEU B 640 1.514 -18.980 -0.010 1.00 0.00 N ATOM 1785 CA LEU B 640 0.589 -19.673 -0.900 1.00 0.00 C ATOM 1786 C LEU B 640 0.971 -19.457 -2.360 1.00 0.00 C ATOM 1787 O LEU B 640 0.118 -19.485 -3.246 1.00 0.00 O ATOM 1788 CB LEU B 640 -0.842 -19.188 -0.659 1.00 0.00 C ATOM 1789 CG LEU B 640 -1.219 -18.906 0.796 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -2.555 -18.184 0.871 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -1.265 -20.200 1.595 1.00 0.00 C ATOM 0 H LEU B 640 1.405 -17.966 0.005 1.00 0.00 H new ATOM 0 HA LEU B 640 0.647 -20.740 -0.683 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.998 -18.277 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -1.529 -19.937 -1.053 1.00 0.00 H new ATOM 0 HG LEU B 640 -0.456 -18.261 1.230 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -2.807 -17.992 1.914 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -2.488 -17.238 0.334 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -3.329 -18.804 0.419 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -1.535 -19.980 2.628 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -2.007 -20.870 1.161 1.00 0.00 H new ATOM 0 HD23 LEU B 640 -0.286 -20.678 1.570 1.00 0.00 H new ATOM 1802 N GLN B 641 2.261 -19.243 -2.603 1.00 0.00 N ATOM 1803 CA GLN B 641 2.757 -19.024 -3.956 1.00 0.00 C ATOM 1804 C GLN B 641 2.485 -20.237 -4.839 1.00 0.00 C ATOM 1805 O GLN B 641 2.019 -20.102 -5.971 1.00 0.00 O ATOM 1806 CB GLN B 641 4.257 -18.723 -3.930 1.00 0.00 C ATOM 1807 CG GLN B 641 4.603 -17.417 -3.233 1.00 0.00 C ATOM 1808 CD GLN B 641 4.668 -16.244 -4.191 1.00 0.00 C ATOM 1809 OE1 GLN B 641 3.519 -15.632 -4.456 1.00 0.00 O flip ATOM 1810 NE2 GLN B 641 5.738 -15.890 -4.686 1.00 0.00 N flip ATOM 0 H GLN B 641 2.980 -19.217 -1.880 1.00 0.00 H new ATOM 0 HA GLN B 641 2.229 -18.167 -4.375 1.00 0.00 H new ATOM 0 HB2 GLN B 641 4.775 -19.541 -3.429 1.00 0.00 H new ATOM 0 HB3 GLN B 641 4.630 -18.689 -4.954 1.00 0.00 H new ATOM 0 HG2 GLN B 641 3.859 -17.212 -2.463 1.00 0.00 H new ATOM 0 HG3 GLN B 641 5.563 -17.522 -2.728 1.00 0.00 H new ATOM 0 HE21 GLN B 641 6.597 -16.389 -4.454 1.00 0.00 H new ATOM 0 HE22 GLN B 641 5.766 -15.098 -5.328 1.00 0.00 H new ATOM 1817 N SER B 642 2.781 -21.422 -4.316 1.00 0.00 N ATOM 1818 CA SER B 642 2.573 -22.660 -5.057 1.00 0.00 C ATOM 1819 C SER B 642 1.124 -22.776 -5.524 1.00 0.00 C ATOM 1820 O SER B 642 0.834 -23.436 -6.522 1.00 0.00 O ATOM 1821 CB SER B 642 2.939 -23.867 -4.192 1.00 0.00 C ATOM 1822 OG SER B 642 1.891 -24.186 -3.292 1.00 0.00 O ATOM 0 H SER B 642 3.166 -21.551 -3.380 1.00 0.00 H new ATOM 0 HA SER B 642 3.220 -22.642 -5.934 1.00 0.00 H new ATOM 0 HB2 SER B 642 3.149 -24.726 -4.830 1.00 0.00 H new ATOM 0 HB3 SER B 642 3.851 -23.655 -3.633 1.00 0.00 H new ATOM 0 HG SER B 642 2.149 -24.962 -2.752 1.00 0.00 H new ATOM 1827 N ALA B 643 0.221 -22.129 -4.796 1.00 0.00 N ATOM 1828 CA ALA B 643 -1.196 -22.157 -5.136 1.00 0.00 C ATOM 1829 C ALA B 643 -1.513 -21.166 -6.250 1.00 0.00 C ATOM 1830 O ALA B 643 -2.472 -21.348 -7.001 1.00 0.00 O ATOM 1831 CB ALA B 643 -2.040 -21.858 -3.905 1.00 0.00 C ATOM 0 H ALA B 643 0.445 -21.579 -3.967 1.00 0.00 H new ATOM 0 HA ALA B 643 -1.438 -23.157 -5.495 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -3.096 -21.882 -4.173 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -1.843 -22.607 -3.138 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -1.786 -20.870 -3.521 1.00 0.00 H new ATOM 1837 N TRP B 644 -0.704 -20.118 -6.352 1.00 0.00 N ATOM 1838 CA TRP B 644 -0.900 -19.098 -7.374 1.00 0.00 C ATOM 1839 C TRP B 644 -0.983 -19.725 -8.762 1.00 0.00 C ATOM 1840 O TRP B 644 -0.348 -20.746 -9.028 1.00 0.00 O ATOM 1841 CB TRP B 644 0.239 -18.077 -7.331 1.00 0.00 C ATOM 1842 CG TRP B 644 -0.074 -16.805 -8.059 1.00 0.00 C ATOM 1843 CD1 TRP B 644 0.042 -16.579 -9.400 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.554 -15.584 -7.484 1.00 0.00 C ATOM 1845 NE1 TRP B 644 -0.337 -15.291 -9.695 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.707 -14.661 -8.536 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.869 -15.183 -6.184 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -1.161 -13.362 -8.325 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -1.320 -13.893 -5.976 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -1.463 -12.995 -7.042 1.00 0.00 C ATOM 0 H TRP B 644 0.094 -19.953 -5.739 1.00 0.00 H new ATOM 0 HA TRP B 644 -1.842 -18.591 -7.168 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.470 -17.845 -6.291 1.00 0.00 H new ATOM 0 HB3 TRP B 644 1.134 -18.524 -7.764 1.00 0.00 H new ATOM 0 HD1 TRP B 644 0.382 -17.306 -10.123 1.00 0.00 H new ATOM 0 HE1 TRP B 644 -0.342 -14.873 -10.625 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.762 -15.868 -5.356 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -1.271 -12.668 -9.145 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.566 -13.572 -4.975 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.818 -11.994 -6.847 1.00 0.00 H new ATOM 1860 N GLN B 645 -1.767 -19.110 -9.639 1.00 0.00 N ATOM 1861 CA GLN B 645 -1.933 -19.610 -10.999 1.00 0.00 C ATOM 1862 C GLN B 645 -0.977 -18.906 -11.957 1.00 0.00 C ATOM 1863 O GLN B 645 -0.008 -19.498 -12.430 1.00 0.00 O ATOM 1864 CB GLN B 645 -3.376 -19.416 -11.465 1.00 0.00 C ATOM 1865 CG GLN B 645 -4.401 -20.085 -10.563 1.00 0.00 C ATOM 1866 CD GLN B 645 -4.463 -21.587 -10.762 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -5.051 -22.072 -11.728 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -3.854 -22.331 -9.846 1.00 0.00 N ATOM 0 H GLN B 645 -2.298 -18.264 -9.433 1.00 0.00 H new ATOM 0 HA GLN B 645 -1.700 -20.675 -10.999 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -3.592 -18.349 -11.518 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -3.479 -19.812 -12.475 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -4.158 -19.870 -9.522 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -5.384 -19.656 -10.756 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -3.378 -21.886 -9.061 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -3.862 -23.348 -9.927 1.00 0.00 H new ATOM 1875 N GLY B 646 -1.261 -17.639 -12.243 1.00 0.00 N ATOM 1876 CA GLY B 646 -0.418 -16.876 -13.144 1.00 0.00 C ATOM 1877 C GLY B 646 -1.038 -16.711 -14.517 1.00 0.00 C ATOM 1878 O GLY B 646 -0.656 -15.819 -15.276 1.00 0.00 O ATOM 0 H GLY B 646 -2.060 -17.128 -11.867 1.00 0.00 H new ATOM 0 HA2 GLY B 646 -0.228 -15.893 -12.714 1.00 0.00 H new ATOM 0 HA3 GLY B 646 0.547 -17.373 -13.242 1.00 0.00 H new ATOM 1882 N ASP B 647 -1.997 -17.572 -14.840 1.00 0.00 N ATOM 1883 CA ASP B 647 -2.671 -17.518 -16.131 1.00 0.00 C ATOM 1884 C ASP B 647 -3.990 -16.758 -16.023 1.00 0.00 C ATOM 1885 O ASP B 647 -4.916 -16.985 -16.804 1.00 0.00 O ATOM 1886 CB ASP B 647 -2.924 -18.931 -16.658 1.00 0.00 C ATOM 1887 CG ASP B 647 -2.497 -19.094 -18.104 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -3.219 -18.600 -18.995 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -1.443 -19.720 -18.344 1.00 0.00 O ATOM 0 H ASP B 647 -2.325 -18.316 -14.224 1.00 0.00 H new ATOM 0 HA ASP B 647 -2.023 -16.989 -16.830 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -2.384 -19.648 -16.040 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -3.985 -19.165 -16.567 1.00 0.00 H new ATOM 1893 N THR B 648 -4.070 -15.856 -15.051 1.00 0.00 N ATOM 1894 CA THR B 648 -5.276 -15.064 -14.839 1.00 0.00 C ATOM 1895 C THR B 648 -4.991 -13.575 -15.003 1.00 0.00 C ATOM 1896 O THR B 648 -5.866 -12.807 -15.401 1.00 0.00 O ATOM 1897 CB THR B 648 -5.872 -15.310 -13.442 1.00 0.00 C ATOM 1898 OG1 THR B 648 -5.040 -14.711 -12.441 1.00 0.00 O ATOM 1899 CG2 THR B 648 -6.010 -16.801 -13.167 1.00 0.00 C ATOM 0 H THR B 648 -3.313 -15.655 -14.397 1.00 0.00 H new ATOM 0 HA THR B 648 -5.997 -15.379 -15.593 1.00 0.00 H new ATOM 0 HB THR B 648 -6.863 -14.857 -13.410 1.00 0.00 H new ATOM 0 HG1 THR B 648 -4.493 -15.403 -12.014 1.00 0.00 H new ATOM 0 HG21 THR B 648 -6.433 -16.950 -12.174 1.00 0.00 H new ATOM 0 HG22 THR B 648 -6.667 -17.249 -13.912 1.00 0.00 H new ATOM 0 HG23 THR B 648 -5.029 -17.273 -13.218 1.00 0.00 H new ATOM 1907 N GLY B 649 -3.762 -13.174 -14.694 1.00 0.00 N ATOM 1908 CA GLY B 649 -3.385 -11.778 -14.813 1.00 0.00 C ATOM 1909 C GLY B 649 -2.028 -11.490 -14.202 1.00 0.00 C ATOM 1910 O GLY B 649 -1.007 -11.540 -14.890 1.00 0.00 O ATOM 0 H GLY B 649 -3.020 -13.791 -14.363 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -3.373 -11.497 -15.866 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -4.138 -11.159 -14.326 1.00 0.00 H new ATOM 1914 N ILE B 650 -2.015 -11.184 -12.909 1.00 0.00 N ATOM 1915 CA ILE B 650 -0.773 -10.886 -12.207 1.00 0.00 C ATOM 1916 C ILE B 650 -0.086 -12.164 -11.738 1.00 0.00 C ATOM 1917 O ILE B 650 -0.744 -13.126 -11.339 1.00 0.00 O ATOM 1918 CB ILE B 650 -1.018 -9.973 -10.992 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -1.658 -8.656 -11.438 1.00 0.00 C ATOM 1920 CG2 ILE B 650 0.286 -9.712 -10.254 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -1.924 -7.698 -10.297 1.00 0.00 C ATOM 0 H ILE B 650 -2.851 -11.136 -12.326 1.00 0.00 H new ATOM 0 HA ILE B 650 -0.127 -10.368 -12.916 1.00 0.00 H new ATOM 0 HB ILE B 650 -1.704 -10.476 -10.310 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -1.005 -8.172 -12.164 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -2.597 -8.872 -11.947 1.00 0.00 H new ATOM 0 HG21 ILE B 650 0.096 -9.065 -9.398 1.00 0.00 H new ATOM 0 HG22 ILE B 650 0.704 -10.658 -9.909 1.00 0.00 H new ATOM 0 HG23 ILE B 650 0.993 -9.226 -10.926 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.378 -6.786 -10.686 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -2.601 -8.164 -9.581 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -0.985 -7.453 -9.801 1.00 0.00 H new ATOM 1932 N THR B 651 1.242 -12.168 -11.786 1.00 0.00 N ATOM 1933 CA THR B 651 2.019 -13.327 -11.365 1.00 0.00 C ATOM 1934 C THR B 651 2.560 -13.143 -9.951 1.00 0.00 C ATOM 1935 O THR B 651 2.418 -12.075 -9.357 1.00 0.00 O ATOM 1936 CB THR B 651 3.196 -13.592 -12.323 1.00 0.00 C ATOM 1937 OG1 THR B 651 2.968 -12.933 -13.574 1.00 0.00 O ATOM 1938 CG2 THR B 651 3.380 -15.084 -12.556 1.00 0.00 C ATOM 0 H THR B 651 1.802 -11.381 -12.113 1.00 0.00 H new ATOM 0 HA THR B 651 1.345 -14.183 -11.384 1.00 0.00 H new ATOM 0 HB THR B 651 4.103 -13.198 -11.865 1.00 0.00 H new ATOM 0 HG1 THR B 651 3.722 -13.105 -14.176 1.00 0.00 H new ATOM 0 HG21 THR B 651 4.217 -15.246 -13.236 1.00 0.00 H new ATOM 0 HG22 THR B 651 3.583 -15.578 -11.606 1.00 0.00 H new ATOM 0 HG23 THR B 651 2.472 -15.499 -12.994 1.00 0.00 H new ATOM 1946 N TYR B 652 3.181 -14.190 -9.421 1.00 0.00 N ATOM 1947 CA TYR B 652 3.742 -14.144 -8.075 1.00 0.00 C ATOM 1948 C TYR B 652 4.886 -13.137 -7.996 1.00 0.00 C ATOM 1949 O TYR B 652 5.030 -12.423 -7.005 1.00 0.00 O ATOM 1950 CB TYR B 652 4.238 -15.529 -7.659 1.00 0.00 C ATOM 1951 CG TYR B 652 5.352 -16.061 -8.532 1.00 0.00 C ATOM 1952 CD1 TYR B 652 5.073 -16.783 -9.686 1.00 0.00 C ATOM 1953 CD2 TYR B 652 6.684 -15.841 -8.204 1.00 0.00 C ATOM 1954 CE1 TYR B 652 6.087 -17.272 -10.486 1.00 0.00 C ATOM 1955 CE2 TYR B 652 7.705 -16.325 -9.000 1.00 0.00 C ATOM 1956 CZ TYR B 652 7.401 -17.040 -10.139 1.00 0.00 C ATOM 1957 OH TYR B 652 8.415 -17.524 -10.934 1.00 0.00 O ATOM 0 H TYR B 652 3.309 -15.081 -9.902 1.00 0.00 H new ATOM 0 HA TYR B 652 2.955 -13.827 -7.391 1.00 0.00 H new ATOM 0 HB2 TYR B 652 4.586 -15.486 -6.627 1.00 0.00 H new ATOM 0 HB3 TYR B 652 3.402 -16.228 -7.685 1.00 0.00 H new ATOM 0 HD1 TYR B 652 4.045 -16.965 -9.962 1.00 0.00 H new ATOM 0 HD2 TYR B 652 6.926 -15.282 -7.312 1.00 0.00 H new ATOM 0 HE1 TYR B 652 5.852 -17.833 -11.378 1.00 0.00 H new ATOM 0 HE2 TYR B 652 8.735 -16.144 -8.731 1.00 0.00 H new ATOM 0 HH TYR B 652 9.281 -17.272 -10.549 1.00 0.00 H new ATOM 1966 N GLN B 653 5.695 -13.086 -9.050 1.00 0.00 N ATOM 1967 CA GLN B 653 6.826 -12.168 -9.101 1.00 0.00 C ATOM 1968 C GLN B 653 6.354 -10.736 -9.325 1.00 0.00 C ATOM 1969 O GLN B 653 6.851 -9.802 -8.696 1.00 0.00 O ATOM 1970 CB GLN B 653 7.794 -12.578 -10.211 1.00 0.00 C ATOM 1971 CG GLN B 653 7.147 -12.656 -11.585 1.00 0.00 C ATOM 1972 CD GLN B 653 7.366 -11.399 -12.404 1.00 0.00 C ATOM 1973 OE1 GLN B 653 8.359 -10.692 -12.225 1.00 0.00 O ATOM 1974 NE2 GLN B 653 6.439 -11.115 -13.312 1.00 0.00 N ATOM 0 H GLN B 653 5.588 -13.670 -9.880 1.00 0.00 H new ATOM 0 HA GLN B 653 7.343 -12.215 -8.143 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.617 -11.864 -10.246 1.00 0.00 H new ATOM 0 HB3 GLN B 653 8.225 -13.549 -9.966 1.00 0.00 H new ATOM 0 HG2 GLN B 653 7.551 -13.512 -12.125 1.00 0.00 H new ATOM 0 HG3 GLN B 653 6.077 -12.828 -11.470 1.00 0.00 H new ATOM 0 HE21 GLN B 653 5.632 -11.729 -13.427 1.00 0.00 H new ATOM 0 HE22 GLN B 653 6.534 -10.283 -13.895 1.00 0.00 H new ATOM 1981 N ALA B 654 5.391 -10.569 -10.225 1.00 0.00 N ATOM 1982 CA ALA B 654 4.851 -9.250 -10.532 1.00 0.00 C ATOM 1983 C ALA B 654 4.066 -8.690 -9.349 1.00 0.00 C ATOM 1984 O ALA B 654 4.182 -7.510 -9.020 1.00 0.00 O ATOM 1985 CB ALA B 654 3.968 -9.316 -11.769 1.00 0.00 C ATOM 0 H ALA B 654 4.968 -11.331 -10.755 1.00 0.00 H new ATOM 0 HA ALA B 654 5.687 -8.579 -10.731 1.00 0.00 H new ATOM 0 HB1 ALA B 654 3.572 -8.324 -11.986 1.00 0.00 H new ATOM 0 HB2 ALA B 654 4.556 -9.666 -12.618 1.00 0.00 H new ATOM 0 HB3 ALA B 654 3.143 -10.005 -11.591 1.00 0.00 H new ATOM 1991 N TRP B 655 3.270 -9.543 -8.717 1.00 0.00 N ATOM 1992 CA TRP B 655 2.466 -9.133 -7.571 1.00 0.00 C ATOM 1993 C TRP B 655 3.354 -8.668 -6.422 1.00 0.00 C ATOM 1994 O TRP B 655 3.050 -7.681 -5.752 1.00 0.00 O ATOM 1995 CB TRP B 655 1.574 -10.286 -7.108 1.00 0.00 C ATOM 1996 CG TRP B 655 0.539 -9.871 -6.106 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.791 -9.666 -6.338 1.00 0.00 C ATOM 1998 CD2 TRP B 655 0.751 -9.609 -4.714 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.419 -9.292 -5.175 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.495 -9.251 -4.164 1.00 0.00 C ATOM 2001 CE3 TRP B 655 1.871 -9.643 -3.879 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.649 -8.929 -2.818 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 1.716 -9.323 -2.544 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.464 -8.971 -2.024 1.00 0.00 C ATOM 0 H TRP B 655 3.163 -10.523 -8.978 1.00 0.00 H new ATOM 0 HA TRP B 655 1.837 -8.298 -7.880 1.00 0.00 H new ATOM 0 HB2 TRP B 655 1.076 -10.722 -7.975 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.198 -11.067 -6.673 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -1.278 -9.781 -7.295 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.412 -9.079 -5.079 1.00 0.00 H new ATOM 0 HE3 TRP B 655 2.840 -9.915 -4.270 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.613 -8.656 -2.415 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 2.575 -9.345 -1.890 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.376 -8.728 -0.975 1.00 0.00 H new ATOM 2014 N GLN B 656 4.452 -9.384 -6.199 1.00 0.00 N ATOM 2015 CA GLN B 656 5.383 -9.043 -5.131 1.00 0.00 C ATOM 2016 C GLN B 656 5.969 -7.651 -5.342 1.00 0.00 C ATOM 2017 O GLN B 656 5.871 -6.788 -4.471 1.00 0.00 O ATOM 2018 CB GLN B 656 6.507 -10.077 -5.056 1.00 0.00 C ATOM 2019 CG GLN B 656 6.120 -11.345 -4.311 1.00 0.00 C ATOM 2020 CD GLN B 656 7.003 -11.606 -3.106 1.00 0.00 C ATOM 2021 OE1 GLN B 656 7.878 -12.471 -3.139 1.00 0.00 O ATOM 2022 NE2 GLN B 656 6.775 -10.857 -2.033 1.00 0.00 N ATOM 0 H GLN B 656 4.718 -10.204 -6.744 1.00 0.00 H new ATOM 0 HA GLN B 656 4.833 -9.046 -4.190 1.00 0.00 H new ATOM 0 HB2 GLN B 656 6.815 -10.340 -6.068 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.371 -9.627 -4.566 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.082 -11.269 -3.987 1.00 0.00 H new ATOM 0 HG3 GLN B 656 6.180 -12.194 -4.991 1.00 0.00 H new ATOM 0 HE21 GLN B 656 6.039 -10.151 -2.051 1.00 0.00 H new ATOM 0 HE22 GLN B 656 7.336 -10.987 -1.191 1.00 0.00 H new ATOM 2029 N ALA B 657 6.578 -7.442 -6.504 1.00 0.00 N ATOM 2030 CA ALA B 657 7.179 -6.154 -6.830 1.00 0.00 C ATOM 2031 C ALA B 657 6.123 -5.056 -6.888 1.00 0.00 C ATOM 2032 O ALA B 657 6.280 -4.000 -6.276 1.00 0.00 O ATOM 2033 CB ALA B 657 7.927 -6.241 -8.153 1.00 0.00 C ATOM 0 H ALA B 657 6.668 -8.147 -7.235 1.00 0.00 H new ATOM 0 HA ALA B 657 7.887 -5.900 -6.041 1.00 0.00 H new ATOM 0 HB1 ALA B 657 8.371 -5.273 -8.384 1.00 0.00 H new ATOM 0 HB2 ALA B 657 8.713 -6.992 -8.078 1.00 0.00 H new ATOM 0 HB3 ALA B 657 7.233 -6.521 -8.946 1.00 0.00 H new ATOM 2039 N GLN B 658 5.049 -5.311 -7.628 1.00 0.00 N ATOM 2040 CA GLN B 658 3.969 -4.342 -7.766 1.00 0.00 C ATOM 2041 C GLN B 658 3.417 -3.942 -6.401 1.00 0.00 C ATOM 2042 O GLN B 658 3.259 -2.758 -6.107 1.00 0.00 O ATOM 2043 CB GLN B 658 2.847 -4.916 -8.635 1.00 0.00 C ATOM 2044 CG GLN B 658 3.170 -4.921 -10.120 1.00 0.00 C ATOM 2045 CD GLN B 658 1.994 -5.359 -10.971 1.00 0.00 C ATOM 2046 OE1 GLN B 658 0.952 -4.703 -10.994 1.00 0.00 O ATOM 2047 NE2 GLN B 658 2.156 -6.472 -11.676 1.00 0.00 N ATOM 0 H GLN B 658 4.904 -6.180 -8.141 1.00 0.00 H new ATOM 0 HA GLN B 658 4.374 -3.452 -8.248 1.00 0.00 H new ATOM 0 HB2 GLN B 658 2.636 -5.936 -8.314 1.00 0.00 H new ATOM 0 HB3 GLN B 658 1.939 -4.336 -8.471 1.00 0.00 H new ATOM 0 HG2 GLN B 658 3.481 -3.922 -10.424 1.00 0.00 H new ATOM 0 HG3 GLN B 658 4.014 -5.587 -10.302 1.00 0.00 H new ATOM 0 HE21 GLN B 658 3.037 -6.983 -11.626 1.00 0.00 H new ATOM 0 HE22 GLN B 658 1.399 -6.816 -12.267 1.00 0.00 H new ATOM 2054 N TRP B 659 3.126 -4.939 -5.572 1.00 0.00 N ATOM 2055 CA TRP B 659 2.592 -4.691 -4.238 1.00 0.00 C ATOM 2056 C TRP B 659 3.463 -3.698 -3.479 1.00 0.00 C ATOM 2057 O TRP B 659 2.996 -2.637 -3.066 1.00 0.00 O ATOM 2058 CB TRP B 659 2.490 -6.002 -3.456 1.00 0.00 C ATOM 2059 CG TRP B 659 1.943 -5.826 -2.071 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.657 -5.786 -0.908 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.568 -5.669 -1.706 1.00 0.00 C ATOM 2062 NE1 TRP B 659 1.808 -5.613 0.159 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.521 -5.538 -0.305 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -0.628 -5.624 -2.427 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.675 -5.366 0.387 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -1.815 -5.454 -1.739 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -1.831 -5.326 -0.344 1.00 0.00 C ATOM 0 H TRP B 659 3.251 -5.925 -5.800 1.00 0.00 H new ATOM 0 HA TRP B 659 1.596 -4.262 -4.346 1.00 0.00 H new ATOM 0 HB2 TRP B 659 1.853 -6.696 -4.005 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.478 -6.458 -3.394 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.731 -5.877 -0.837 1.00 0.00 H new ATOM 0 HE1 TRP B 659 2.090 -5.551 1.137 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -0.625 -5.720 -3.503 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.690 -5.268 1.462 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -2.746 -5.419 -2.286 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -2.774 -5.193 0.165 1.00 0.00 H new ATOM 2077 N ASN B 660 4.732 -4.048 -3.298 1.00 0.00 N ATOM 2078 CA ASN B 660 5.669 -3.185 -2.586 1.00 0.00 C ATOM 2079 C ASN B 660 5.662 -1.776 -3.170 1.00 0.00 C ATOM 2080 O ASN B 660 5.461 -0.798 -2.450 1.00 0.00 O ATOM 2081 CB ASN B 660 7.082 -3.769 -2.652 1.00 0.00 C ATOM 2082 CG ASN B 660 7.901 -3.439 -1.419 1.00 0.00 C ATOM 2083 OD1 ASN B 660 8.223 -2.278 -1.166 1.00 0.00 O ATOM 2084 ND2 ASN B 660 8.245 -4.463 -0.646 1.00 0.00 N ATOM 0 H ASN B 660 5.136 -4.922 -3.634 1.00 0.00 H new ATOM 0 HA ASN B 660 5.354 -3.129 -1.544 1.00 0.00 H new ATOM 0 HB2 ASN B 660 7.020 -4.851 -2.765 1.00 0.00 H new ATOM 0 HB3 ASN B 660 7.590 -3.385 -3.536 1.00 0.00 H new ATOM 0 HD21 ASN B 660 8.798 -4.303 0.196 1.00 0.00 H new ATOM 0 HD22 ASN B 660 7.956 -5.409 -0.894 1.00 0.00 H new ATOM 2090 N GLN B 661 5.881 -1.682 -4.477 1.00 0.00 N ATOM 2091 CA GLN B 661 5.899 -0.392 -5.157 1.00 0.00 C ATOM 2092 C GLN B 661 4.589 0.357 -4.938 1.00 0.00 C ATOM 2093 O GLN B 661 4.554 1.587 -4.967 1.00 0.00 O ATOM 2094 CB GLN B 661 6.146 -0.584 -6.655 1.00 0.00 C ATOM 2095 CG GLN B 661 7.469 -1.262 -6.971 1.00 0.00 C ATOM 2096 CD GLN B 661 8.542 -0.277 -7.393 1.00 0.00 C ATOM 2097 OE1 GLN B 661 8.562 0.186 -8.533 1.00 0.00 O ATOM 2098 NE2 GLN B 661 9.443 0.047 -6.473 1.00 0.00 N ATOM 0 H GLN B 661 6.048 -2.483 -5.086 1.00 0.00 H new ATOM 0 HA GLN B 661 6.711 0.201 -4.735 1.00 0.00 H new ATOM 0 HB2 GLN B 661 5.334 -1.177 -7.076 1.00 0.00 H new ATOM 0 HB3 GLN B 661 6.119 0.388 -7.147 1.00 0.00 H new ATOM 0 HG2 GLN B 661 7.810 -1.812 -6.094 1.00 0.00 H new ATOM 0 HG3 GLN B 661 7.318 -1.992 -7.766 1.00 0.00 H new ATOM 0 HE21 GLN B 661 9.388 -0.361 -5.540 1.00 0.00 H new ATOM 0 HE22 GLN B 661 10.190 0.704 -6.700 1.00 0.00 H new ATOM 2105 N ALA B 662 3.514 -0.392 -4.717 1.00 0.00 N ATOM 2106 CA ALA B 662 2.202 0.202 -4.491 1.00 0.00 C ATOM 2107 C ALA B 662 2.108 0.811 -3.096 1.00 0.00 C ATOM 2108 O ALA B 662 1.779 1.987 -2.944 1.00 0.00 O ATOM 2109 CB ALA B 662 1.110 -0.839 -4.690 1.00 0.00 C ATOM 0 H ALA B 662 3.526 -1.412 -4.690 1.00 0.00 H new ATOM 0 HA ALA B 662 2.062 1.002 -5.218 1.00 0.00 H new ATOM 0 HB1 ALA B 662 0.136 -0.382 -4.518 1.00 0.00 H new ATOM 0 HB2 ALA B 662 1.156 -1.224 -5.709 1.00 0.00 H new ATOM 0 HB3 ALA B 662 1.256 -1.658 -3.986 1.00 0.00 H new ATOM 2115 N MET B 663 2.398 0.003 -2.083 1.00 0.00 N ATOM 2116 CA MET B 663 2.347 0.464 -0.700 1.00 0.00 C ATOM 2117 C MET B 663 3.275 1.655 -0.489 1.00 0.00 C ATOM 2118 O MET B 663 2.966 2.565 0.281 1.00 0.00 O ATOM 2119 CB MET B 663 2.730 -0.670 0.253 1.00 0.00 C ATOM 2120 CG MET B 663 1.934 -1.946 0.030 1.00 0.00 C ATOM 2121 SD MET B 663 0.162 -1.708 0.263 1.00 0.00 S ATOM 2122 CE MET B 663 0.125 -1.039 1.924 1.00 0.00 C ATOM 0 H MET B 663 2.671 -0.974 -2.193 1.00 0.00 H new ATOM 0 HA MET B 663 1.326 0.779 -0.487 1.00 0.00 H new ATOM 0 HB2 MET B 663 3.791 -0.889 0.137 1.00 0.00 H new ATOM 0 HB3 MET B 663 2.584 -0.335 1.280 1.00 0.00 H new ATOM 0 HG2 MET B 663 2.118 -2.313 -0.980 1.00 0.00 H new ATOM 0 HG3 MET B 663 2.287 -2.715 0.717 1.00 0.00 H new ATOM 0 HE1 MET B 663 -0.858 -0.611 2.122 1.00 0.00 H new ATOM 0 HE2 MET B 663 0.325 -1.835 2.641 1.00 0.00 H new ATOM 0 HE3 MET B 663 0.885 -0.264 2.021 1.00 0.00 H new ATOM 2130 N GLU B 664 4.412 1.644 -1.178 1.00 0.00 N ATOM 2131 CA GLU B 664 5.384 2.725 -1.064 1.00 0.00 C ATOM 2132 C GLU B 664 4.759 4.063 -1.446 1.00 0.00 C ATOM 2133 O GLU B 664 4.775 5.013 -0.663 1.00 0.00 O ATOM 2134 CB GLU B 664 6.598 2.444 -1.953 1.00 0.00 C ATOM 2135 CG GLU B 664 7.584 3.598 -2.019 1.00 0.00 C ATOM 2136 CD GLU B 664 8.974 3.155 -2.432 1.00 0.00 C ATOM 2137 OE1 GLU B 664 9.080 2.259 -3.295 1.00 0.00 O ATOM 2138 OE2 GLU B 664 9.957 3.705 -1.891 1.00 0.00 O ATOM 0 H GLU B 664 4.682 0.899 -1.820 1.00 0.00 H new ATOM 0 HA GLU B 664 5.708 2.780 -0.025 1.00 0.00 H new ATOM 0 HB2 GLU B 664 7.113 1.558 -1.581 1.00 0.00 H new ATOM 0 HB3 GLU B 664 6.254 2.213 -2.961 1.00 0.00 H new ATOM 0 HG2 GLU B 664 7.219 4.343 -2.726 1.00 0.00 H new ATOM 0 HG3 GLU B 664 7.636 4.083 -1.044 1.00 0.00 H new ATOM 2143 N ASP B 665 4.208 4.128 -2.653 1.00 0.00 N ATOM 2144 CA ASP B 665 3.576 5.349 -3.139 1.00 0.00 C ATOM 2145 C ASP B 665 2.256 5.603 -2.417 1.00 0.00 C ATOM 2146 O ASP B 665 1.822 6.747 -2.278 1.00 0.00 O ATOM 2147 CB ASP B 665 3.337 5.259 -4.647 1.00 0.00 C ATOM 2148 CG ASP B 665 2.920 6.588 -5.248 1.00 0.00 C ATOM 2149 OD1 ASP B 665 3.776 7.492 -5.338 1.00 0.00 O ATOM 2150 OD2 ASP B 665 1.738 6.721 -5.628 1.00 0.00 O ATOM 0 H ASP B 665 4.186 3.350 -3.312 1.00 0.00 H new ATOM 0 HA ASP B 665 4.248 6.183 -2.934 1.00 0.00 H new ATOM 0 HB2 ASP B 665 4.247 4.912 -5.136 1.00 0.00 H new ATOM 0 HB3 ASP B 665 2.565 4.516 -4.846 1.00 0.00 H new ATOM 2154 N LEU B 666 1.621 4.529 -1.959 1.00 0.00 N ATOM 2155 CA LEU B 666 0.350 4.634 -1.252 1.00 0.00 C ATOM 2156 C LEU B 666 0.517 5.402 0.056 1.00 0.00 C ATOM 2157 O LEU B 666 -0.256 6.310 0.358 1.00 0.00 O ATOM 2158 CB LEU B 666 -0.216 3.242 -0.971 1.00 0.00 C ATOM 2159 CG LEU B 666 -0.872 3.048 0.397 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -2.137 3.887 0.506 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -1.184 1.578 0.635 1.00 0.00 C ATOM 0 H LEU B 666 1.966 3.575 -2.065 1.00 0.00 H new ATOM 0 HA LEU B 666 -0.347 5.181 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU B 666 -0.952 3.008 -1.741 1.00 0.00 H new ATOM 0 HB3 LEU B 666 0.591 2.516 -1.071 1.00 0.00 H new ATOM 0 HG LEU B 666 -0.173 3.380 1.164 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -2.590 3.736 1.486 1.00 0.00 H new ATOM 0 HD12 LEU B 666 -1.887 4.940 0.380 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -2.841 3.586 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -1.650 1.459 1.613 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -1.865 1.221 -0.138 1.00 0.00 H new ATOM 0 HD23 LEU B 666 -0.261 1.000 0.600 1.00 0.00 H new ATOM 2172 N VAL B 667 1.534 5.031 0.828 1.00 0.00 N ATOM 2173 CA VAL B 667 1.805 5.687 2.102 1.00 0.00 C ATOM 2174 C VAL B 667 2.410 7.070 1.890 1.00 0.00 C ATOM 2175 O VAL B 667 2.205 7.978 2.696 1.00 0.00 O ATOM 2176 CB VAL B 667 2.760 4.849 2.972 1.00 0.00 C ATOM 2177 CG1 VAL B 667 2.185 3.460 3.211 1.00 0.00 C ATOM 2178 CG2 VAL B 667 4.133 4.762 2.324 1.00 0.00 C ATOM 0 H VAL B 667 2.183 4.280 0.594 1.00 0.00 H new ATOM 0 HA VAL B 667 0.849 5.787 2.617 1.00 0.00 H new ATOM 0 HB VAL B 667 2.870 5.342 3.938 1.00 0.00 H new ATOM 0 HG11 VAL B 667 2.874 2.882 3.828 1.00 0.00 H new ATOM 0 HG12 VAL B 667 1.226 3.546 3.721 1.00 0.00 H new ATOM 0 HG13 VAL B 667 2.043 2.955 2.255 1.00 0.00 H new ATOM 0 HG21 VAL B 667 4.795 4.166 2.953 1.00 0.00 H new ATOM 0 HG22 VAL B 667 4.044 4.293 1.344 1.00 0.00 H new ATOM 0 HG23 VAL B 667 4.546 5.764 2.210 1.00 0.00 H new ATOM 2188 N ARG B 668 3.157 7.224 0.802 1.00 0.00 N ATOM 2189 CA ARG B 668 3.793 8.497 0.484 1.00 0.00 C ATOM 2190 C ARG B 668 2.749 9.556 0.146 1.00 0.00 C ATOM 2191 O ARG B 668 2.952 10.744 0.396 1.00 0.00 O ATOM 2192 CB ARG B 668 4.762 8.328 -0.687 1.00 0.00 C ATOM 2193 CG ARG B 668 6.159 7.904 -0.265 1.00 0.00 C ATOM 2194 CD ARG B 668 7.138 7.972 -1.427 1.00 0.00 C ATOM 2195 NE ARG B 668 6.790 7.032 -2.490 1.00 0.00 N ATOM 2196 CZ ARG B 668 7.267 7.113 -3.728 1.00 0.00 C ATOM 2197 NH1 ARG B 668 8.105 8.086 -4.056 1.00 0.00 N ATOM 2198 NH2 ARG B 668 6.903 6.221 -4.640 1.00 0.00 N ATOM 0 H ARG B 668 3.337 6.482 0.125 1.00 0.00 H new ATOM 0 HA ARG B 668 4.349 8.827 1.362 1.00 0.00 H new ATOM 0 HB2 ARG B 668 4.359 7.586 -1.377 1.00 0.00 H new ATOM 0 HB3 ARG B 668 4.826 9.269 -1.233 1.00 0.00 H new ATOM 0 HG2 ARG B 668 6.507 8.547 0.543 1.00 0.00 H new ATOM 0 HG3 ARG B 668 6.129 6.888 0.127 1.00 0.00 H new ATOM 0 HD2 ARG B 668 7.154 8.985 -1.829 1.00 0.00 H new ATOM 0 HD3 ARG B 668 8.144 7.756 -1.067 1.00 0.00 H new ATOM 0 HE ARG B 668 6.146 6.272 -2.270 1.00 0.00 H new ATOM 0 HH11 ARG B 668 8.385 8.775 -3.358 1.00 0.00 H new ATOM 0 HH12 ARG B 668 8.470 8.146 -5.007 1.00 0.00 H new ATOM 0 HH21 ARG B 668 6.257 5.472 -4.391 1.00 0.00 H new ATOM 0 HH22 ARG B 668 7.270 6.284 -5.590 1.00 0.00 H new ATOM 2209 N ALA B 669 1.631 9.118 -0.425 1.00 0.00 N ATOM 2210 CA ALA B 669 0.556 10.028 -0.797 1.00 0.00 C ATOM 2211 C ALA B 669 0.074 10.830 0.408 1.00 0.00 C ATOM 2212 O ALA B 669 -0.005 12.057 0.357 1.00 0.00 O ATOM 2213 CB ALA B 669 -0.600 9.255 -1.414 1.00 0.00 C ATOM 0 H ALA B 669 1.447 8.138 -0.640 1.00 0.00 H new ATOM 0 HA ALA B 669 0.946 10.729 -1.535 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -1.396 9.948 -1.687 1.00 0.00 H new ATOM 0 HB2 ALA B 669 -0.253 8.731 -2.305 1.00 0.00 H new ATOM 0 HB3 ALA B 669 -0.980 8.532 -0.693 1.00 0.00 H new ATOM 2219 N TYR B 670 -0.247 10.129 1.489 1.00 0.00 N ATOM 2220 CA TYR B 670 -0.724 10.775 2.707 1.00 0.00 C ATOM 2221 C TYR B 670 0.339 11.708 3.280 1.00 0.00 C ATOM 2222 O TYR B 670 0.031 12.801 3.754 1.00 0.00 O ATOM 2223 CB TYR B 670 -1.113 9.725 3.748 1.00 0.00 C ATOM 2224 CG TYR B 670 -1.519 10.314 5.080 1.00 0.00 C ATOM 2225 CD1 TYR B 670 -2.814 10.770 5.294 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -0.607 10.416 6.124 1.00 0.00 C ATOM 2227 CE1 TYR B 670 -3.189 11.310 6.509 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -0.974 10.954 7.342 1.00 0.00 C ATOM 2229 CZ TYR B 670 -2.266 11.400 7.530 1.00 0.00 C ATOM 2230 OH TYR B 670 -2.636 11.935 8.742 1.00 0.00 O ATOM 0 H TYR B 670 -0.186 9.113 1.547 1.00 0.00 H new ATOM 0 HA TYR B 670 -1.603 11.367 2.454 1.00 0.00 H new ATOM 0 HB2 TYR B 670 -1.937 9.127 3.358 1.00 0.00 H new ATOM 0 HB3 TYR B 670 -0.272 9.048 3.901 1.00 0.00 H new ATOM 0 HD1 TYR B 670 -3.540 10.701 4.497 1.00 0.00 H new ATOM 0 HD2 TYR B 670 0.406 10.069 5.980 1.00 0.00 H new ATOM 0 HE1 TYR B 670 -4.200 11.660 6.659 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -0.253 11.025 8.143 1.00 0.00 H new ATOM 0 HH TYR B 670 -3.579 12.198 8.709 1.00 0.00 H new ATOM 2239 N HIS B 671 1.592 11.267 3.232 1.00 0.00 N ATOM 2240 CA HIS B 671 2.703 12.061 3.745 1.00 0.00 C ATOM 2241 C HIS B 671 2.970 13.264 2.846 1.00 0.00 C ATOM 2242 O HIS B 671 3.574 14.248 3.274 1.00 0.00 O ATOM 2243 CB HIS B 671 3.963 11.202 3.857 1.00 0.00 C ATOM 2244 CG HIS B 671 4.453 11.037 5.263 1.00 0.00 C ATOM 2245 ND1 HIS B 671 5.556 11.700 5.757 1.00 0.00 N ATOM 2246 CD2 HIS B 671 3.981 10.281 6.282 1.00 0.00 C ATOM 2247 CE1 HIS B 671 5.744 11.358 7.020 1.00 0.00 C ATOM 2248 NE2 HIS B 671 4.801 10.498 7.362 1.00 0.00 N ATOM 0 H HIS B 671 1.864 10.364 2.843 1.00 0.00 H new ATOM 0 HA HIS B 671 2.432 12.424 4.736 1.00 0.00 H new ATOM 0 HB2 HIS B 671 3.761 10.218 3.434 1.00 0.00 H new ATOM 0 HB3 HIS B 671 4.754 11.651 3.256 1.00 0.00 H new ATOM 0 HD2 HIS B 671 3.120 9.629 6.251 1.00 0.00 H new ATOM 0 HE1 HIS B 671 6.533 11.720 7.662 1.00 0.00 H new ATOM 0 HE2 HIS B 671 4.699 10.065 8.280 1.00 0.00 H new ATOM 2255 N ALA B 672 2.518 13.178 1.600 1.00 0.00 N ATOM 2256 CA ALA B 672 2.709 14.260 0.642 1.00 0.00 C ATOM 2257 C ALA B 672 2.208 15.586 1.205 1.00 0.00 C ATOM 2258 O ALA B 672 2.819 16.632 0.989 1.00 0.00 O ATOM 2259 CB ALA B 672 1.999 13.939 -0.665 1.00 0.00 C ATOM 0 H ALA B 672 2.017 12.370 1.230 1.00 0.00 H new ATOM 0 HA ALA B 672 3.777 14.357 0.449 1.00 0.00 H new ATOM 0 HB1 ALA B 672 2.150 14.755 -1.371 1.00 0.00 H new ATOM 0 HB2 ALA B 672 2.405 13.018 -1.083 1.00 0.00 H new ATOM 0 HB3 ALA B 672 0.932 13.813 -0.478 1.00 0.00 H new ATOM 2265 N MET B 673 1.093 15.534 1.926 1.00 0.00 N ATOM 2266 CA MET B 673 0.511 16.733 2.520 1.00 0.00 C ATOM 2267 C MET B 673 1.429 17.306 3.595 1.00 0.00 C ATOM 2268 O MET B 673 1.559 18.523 3.728 1.00 0.00 O ATOM 2269 CB MET B 673 -0.860 16.416 3.119 1.00 0.00 C ATOM 2270 CG MET B 673 -1.489 17.591 3.850 1.00 0.00 C ATOM 2271 SD MET B 673 -3.135 17.214 4.482 1.00 0.00 S ATOM 2272 CE MET B 673 -2.787 15.785 5.503 1.00 0.00 C ATOM 0 H MET B 673 0.575 14.676 2.113 1.00 0.00 H new ATOM 0 HA MET B 673 0.392 17.478 1.734 1.00 0.00 H new ATOM 0 HB2 MET B 673 -1.530 16.093 2.322 1.00 0.00 H new ATOM 0 HB3 MET B 673 -0.761 15.579 3.810 1.00 0.00 H new ATOM 0 HG2 MET B 673 -0.845 17.886 4.678 1.00 0.00 H new ATOM 0 HG3 MET B 673 -1.550 18.444 3.174 1.00 0.00 H new ATOM 0 HE1 MET B 673 -3.470 15.770 6.352 1.00 0.00 H new ATOM 0 HE2 MET B 673 -2.919 14.877 4.915 1.00 0.00 H new ATOM 0 HE3 MET B 673 -1.760 15.837 5.864 1.00 0.00 H new