USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 637 GLN : amide:sc= -2.28 K(o=-6.4,f=-3.1) USER MOD Set 1.2: B 641 GLN : amide:sc= -2.72 K(o=-6.4,f=-3.7!) USER MOD Set 1.3: B 656 GLN : amide:sc= -1.38 K(o=-6.4,f=-4.6!) USER MOD Set 2.1: A 75 ASN : amide:sc= -1.57 X(o=-2.4,f=-2.4) USER MOD Set 2.2: B 648 THR OG1 : rot -75:sc= -0.798 USER MOD Set 3.1: A 66 ASN : amide:sc= -0.589 X(o=0.66,f=1.1) USER MOD Set 3.2: A 67 THR OG1 : rot 91:sc= 1.24 USER MOD Set 4.1: A 55 HIS : no HD1:sc= -0.665 K(o=-0.66,f=-0.11) USER MOD Set 4.2: B 673 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 25 MET CE :methyl -176:sc= -2.38! (180deg=-2.51!) USER MOD Set 5.2: B 663 MET CE :methyl -124:sc= -1.1 (180deg=-1.83) USER MOD Single : A 21 LYS NZ :NH3+ 140:sc= 0.00126 (180deg=-0.507) USER MOD Single : A 27 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-0.48) USER MOD Single : A 28 THR OG1 : rot -117:sc= -1.59! USER MOD Single : A 31 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.15) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 64 LYS NZ :NH3+ -167:sc= -0.0871 (180deg=-0.464) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=0.54) USER MOD Single : B 622 TYR OH : rot 180:sc= 0 USER MOD Single : B 625 THR OG1 : rot 180:sc= 0 USER MOD Single : B 627 GLN : amide:sc= -0.0963 K(o=-0.096,f=-1.7!) 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 X(o=0,f=0) USER MOD Single : B 651 THR OG1 : rot 180:sc= 0 USER MOD Single : B 652 TYR OH : rot 180:sc= 0 USER MOD Single : B 653 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 658 GLN : amide:sc= -1.75 K(o=-1.7,f=-2.4) USER MOD Single : B 660 ASN : amide:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : B 661 GLN : amide:sc= -0.0145 X(o=-0.015,f=-0.23) USER MOD Single : B 670 TYR OH : rot -155:sc= 1.24 USER MOD Single : B 671 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 222 N ALA A 17 -6.407 -16.824 6.941 1.00 0.00 N ATOM 223 CA ALA A 17 -5.447 -15.925 7.566 1.00 0.00 C ATOM 224 C ALA A 17 -5.171 -14.714 6.682 1.00 0.00 C ATOM 225 O ALA A 17 -4.878 -13.625 7.177 1.00 0.00 O ATOM 226 CB ALA A 17 -4.152 -16.664 7.871 1.00 0.00 C ATOM 0 HA ALA A 17 -5.878 -15.568 8.501 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.444 -15.980 8.338 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.357 -17.492 8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.727 -17.050 6.945 1.00 0.00 H new ATOM 232 N PHE A 18 -5.268 -14.910 5.371 1.00 0.00 N ATOM 233 CA PHE A 18 -5.027 -13.834 4.418 1.00 0.00 C ATOM 234 C PHE A 18 -6.152 -12.804 4.464 1.00 0.00 C ATOM 235 O PHE A 18 -5.906 -11.605 4.590 1.00 0.00 O ATOM 236 CB PHE A 18 -4.896 -14.398 3.001 1.00 0.00 C ATOM 237 CG PHE A 18 -4.231 -13.456 2.039 1.00 0.00 C ATOM 238 CD1 PHE A 18 -2.848 -13.394 1.953 1.00 0.00 C ATOM 239 CD2 PHE A 18 -4.986 -12.631 1.223 1.00 0.00 C ATOM 240 CE1 PHE A 18 -2.233 -12.529 1.069 1.00 0.00 C ATOM 241 CE2 PHE A 18 -4.376 -11.763 0.336 1.00 0.00 C ATOM 242 CZ PHE A 18 -2.998 -11.711 0.259 1.00 0.00 C ATOM 0 H PHE A 18 -5.512 -15.804 4.945 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.095 -13.341 4.694 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.327 -15.327 3.040 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.888 -14.648 2.625 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.245 -14.029 2.585 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.064 -12.666 1.280 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.155 -12.492 1.011 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.977 -11.126 -0.296 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.520 -11.033 -0.432 1.00 0.00 H new ATOM 251 N ALA A 19 -7.388 -13.282 4.361 1.00 0.00 N ATOM 252 CA ALA A 19 -8.551 -12.405 4.392 1.00 0.00 C ATOM 253 C ALA A 19 -8.564 -11.555 5.658 1.00 0.00 C ATOM 254 O ALA A 19 -9.015 -10.410 5.644 1.00 0.00 O ATOM 255 CB ALA A 19 -9.831 -13.222 4.291 1.00 0.00 C ATOM 0 H ALA A 19 -7.609 -14.272 4.255 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.492 -11.734 3.535 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.692 -12.554 4.315 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.832 -13.782 3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.887 -13.916 5.129 1.00 0.00 H new ATOM 261 N ALA A 20 -8.065 -12.122 6.752 1.00 0.00 N ATOM 262 CA ALA A 20 -8.018 -11.415 8.025 1.00 0.00 C ATOM 263 C ALA A 20 -7.207 -10.129 7.910 1.00 0.00 C ATOM 264 O ALA A 20 -7.615 -9.078 8.407 1.00 0.00 O ATOM 265 CB ALA A 20 -7.435 -12.314 9.107 1.00 0.00 C ATOM 0 H ALA A 20 -7.688 -13.069 6.781 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.038 -11.147 8.301 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.406 -11.773 10.053 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.057 -13.202 9.216 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.424 -12.611 8.828 1.00 0.00 H new ATOM 271 N LYS A 21 -6.056 -10.219 7.252 1.00 0.00 N ATOM 272 CA LYS A 21 -5.187 -9.062 7.070 1.00 0.00 C ATOM 273 C LYS A 21 -5.754 -8.115 6.017 1.00 0.00 C ATOM 274 O LYS A 21 -5.598 -6.898 6.114 1.00 0.00 O ATOM 275 CB LYS A 21 -3.783 -9.512 6.662 1.00 0.00 C ATOM 276 CG LYS A 21 -3.181 -10.550 7.594 1.00 0.00 C ATOM 277 CD LYS A 21 -1.750 -10.202 7.966 1.00 0.00 C ATOM 278 CE LYS A 21 -1.697 -9.114 9.027 1.00 0.00 C ATOM 279 NZ LYS A 21 -0.637 -9.377 10.040 1.00 0.00 N ATOM 0 H LYS A 21 -5.703 -11.081 6.836 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.130 -8.530 8.019 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.821 -9.921 5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.127 -8.642 6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.786 -10.623 8.498 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.206 -11.529 7.115 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.241 -11.094 8.333 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.212 -9.871 7.077 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.513 -8.151 8.551 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.665 -9.044 9.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.162 -8.485 10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.067 -9.787 10.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.059 -10.043 9.649 1.00 0.00 H new ATOM 289 N ALA A 22 -6.415 -8.681 5.013 1.00 0.00 N ATOM 290 CA ALA A 22 -7.008 -7.887 3.944 1.00 0.00 C ATOM 291 C ALA A 22 -7.987 -6.860 4.503 1.00 0.00 C ATOM 292 O ALA A 22 -8.044 -5.723 4.036 1.00 0.00 O ATOM 293 CB ALA A 22 -7.706 -8.791 2.940 1.00 0.00 C ATOM 0 H ALA A 22 -6.553 -9.687 4.917 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.207 -7.350 3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.144 -8.184 2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.983 -9.483 2.509 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.492 -9.354 3.443 1.00 0.00 H new ATOM 299 N GLY A 23 -8.757 -7.268 5.507 1.00 0.00 N ATOM 300 CA GLY A 23 -9.724 -6.371 6.112 1.00 0.00 C ATOM 301 C GLY A 23 -9.066 -5.223 6.853 1.00 0.00 C ATOM 302 O GLY A 23 -9.538 -4.087 6.798 1.00 0.00 O ATOM 0 H GLY A 23 -8.728 -8.204 5.912 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.379 -5.972 5.337 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.353 -6.932 6.803 1.00 0.00 H new ATOM 306 N LEU A 24 -7.974 -5.520 7.549 1.00 0.00 N ATOM 307 CA LEU A 24 -7.250 -4.504 8.307 1.00 0.00 C ATOM 308 C LEU A 24 -6.642 -3.462 7.375 1.00 0.00 C ATOM 309 O LEU A 24 -6.419 -2.317 7.769 1.00 0.00 O ATOM 310 CB LEU A 24 -6.152 -5.155 9.149 1.00 0.00 C ATOM 311 CG LEU A 24 -5.895 -4.524 10.519 1.00 0.00 C ATOM 312 CD1 LEU A 24 -6.677 -5.257 11.598 1.00 0.00 C ATOM 313 CD2 LEU A 24 -4.408 -4.531 10.838 1.00 0.00 C ATOM 0 H LEU A 24 -7.570 -6.455 7.604 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.958 -4.004 8.968 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.409 -6.204 9.297 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.223 -5.131 8.580 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.235 -3.489 10.492 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.482 -4.795 12.566 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.743 -5.201 11.377 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.367 -6.302 11.626 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.244 -4.079 11.816 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.043 -5.558 10.847 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.871 -3.962 10.080 1.00 0.00 H new ATOM 324 N MET A 25 -6.376 -3.865 6.136 1.00 0.00 N ATOM 325 CA MET A 25 -5.796 -2.964 5.147 1.00 0.00 C ATOM 326 C MET A 25 -6.690 -1.748 4.929 1.00 0.00 C ATOM 327 O MET A 25 -6.265 -0.610 5.128 1.00 0.00 O ATOM 328 CB MET A 25 -5.580 -3.697 3.822 1.00 0.00 C ATOM 329 CG MET A 25 -4.980 -2.821 2.734 1.00 0.00 C ATOM 330 SD MET A 25 -3.250 -3.208 2.407 1.00 0.00 S ATOM 331 CE MET A 25 -2.484 -2.645 3.925 1.00 0.00 C ATOM 0 H MET A 25 -6.553 -4.809 5.794 1.00 0.00 H new ATOM 0 HA MET A 25 -4.833 -2.621 5.525 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.925 -4.552 3.991 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.535 -4.091 3.474 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.555 -2.943 1.816 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.065 -1.775 3.027 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.402 -2.752 3.848 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.734 -1.597 4.092 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.849 -3.243 4.760 1.00 0.00 H new ATOM 339 N ARG A 26 -7.930 -1.997 4.520 1.00 0.00 N ATOM 340 CA ARG A 26 -8.883 -0.922 4.273 1.00 0.00 C ATOM 341 C ARG A 26 -9.053 -0.050 5.514 1.00 0.00 C ATOM 342 O ARG A 26 -9.420 1.122 5.418 1.00 0.00 O ATOM 343 CB ARG A 26 -10.237 -1.498 3.853 1.00 0.00 C ATOM 344 CG ARG A 26 -10.715 -1.003 2.497 1.00 0.00 C ATOM 345 CD ARG A 26 -10.634 -2.098 1.445 1.00 0.00 C ATOM 346 NE ARG A 26 -11.441 -3.262 1.802 1.00 0.00 N ATOM 347 CZ ARG A 26 -11.431 -4.401 1.119 1.00 0.00 C ATOM 348 NH1 ARG A 26 -10.659 -4.530 0.049 1.00 0.00 N ATOM 349 NH2 ARG A 26 -12.194 -5.415 1.507 1.00 0.00 N ATOM 0 H ARG A 26 -8.298 -2.934 4.353 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.492 -0.303 3.465 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.168 -2.586 3.830 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.981 -1.242 4.607 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.743 -0.651 2.579 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.110 -0.152 2.185 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.970 -1.704 0.486 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.595 -2.402 1.318 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.046 -3.196 2.621 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.070 -3.753 -0.252 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.654 -5.406 -0.473 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.789 -5.320 2.330 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.186 -6.289 0.982 1.00 0.00 H new ATOM 360 N HIS A 27 -8.785 -0.630 6.680 1.00 0.00 N ATOM 361 CA HIS A 27 -8.907 0.093 7.940 1.00 0.00 C ATOM 362 C HIS A 27 -7.836 1.176 8.052 1.00 0.00 C ATOM 363 O HIS A 27 -8.132 2.326 8.376 1.00 0.00 O ATOM 364 CB HIS A 27 -8.799 -0.872 9.120 1.00 0.00 C ATOM 365 CG HIS A 27 -9.262 -0.287 10.419 1.00 0.00 C ATOM 366 ND1 HIS A 27 -10.030 0.856 10.497 1.00 0.00 N ATOM 367 CD2 HIS A 27 -9.063 -0.693 11.694 1.00 0.00 C ATOM 368 CE1 HIS A 27 -10.282 1.128 11.765 1.00 0.00 C ATOM 369 NE2 HIS A 27 -9.706 0.202 12.512 1.00 0.00 N ATOM 0 H HIS A 27 -8.482 -1.599 6.778 1.00 0.00 H new ATOM 0 HA HIS A 27 -9.886 0.572 7.962 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.386 -1.764 8.903 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.762 -1.191 9.224 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.502 -1.560 12.010 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.860 1.964 12.129 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.735 0.160 13.531 1.00 0.00 H new ATOM 376 N THR A 28 -6.591 0.798 7.783 1.00 0.00 N ATOM 377 CA THR A 28 -5.476 1.734 7.855 1.00 0.00 C ATOM 378 C THR A 28 -5.732 2.962 6.988 1.00 0.00 C ATOM 379 O THR A 28 -5.664 4.095 7.465 1.00 0.00 O ATOM 380 CB THR A 28 -4.157 1.073 7.412 1.00 0.00 C ATOM 381 OG1 THR A 28 -4.155 -0.310 7.781 1.00 0.00 O ATOM 382 CG2 THR A 28 -2.963 1.773 8.043 1.00 0.00 C ATOM 0 H THR A 28 -6.329 -0.150 7.513 1.00 0.00 H new ATOM 0 HA THR A 28 -5.388 2.040 8.897 1.00 0.00 H new ATOM 0 HB THR A 28 -4.078 1.160 6.328 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.431 -0.477 8.420 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.043 1.289 7.716 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.951 2.819 7.737 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.038 1.713 9.129 1.00 0.00 H new ATOM 390 N ILE A 29 -6.028 2.730 5.714 1.00 0.00 N ATOM 391 CA ILE A 29 -6.295 3.817 4.782 1.00 0.00 C ATOM 392 C ILE A 29 -7.580 4.553 5.150 1.00 0.00 C ATOM 393 O ILE A 29 -7.608 5.780 5.214 1.00 0.00 O ATOM 394 CB ILE A 29 -6.407 3.303 3.335 1.00 0.00 C ATOM 395 CG1 ILE A 29 -5.045 2.814 2.837 1.00 0.00 C ATOM 396 CG2 ILE A 29 -6.949 4.397 2.424 1.00 0.00 C ATOM 397 CD1 ILE A 29 -4.703 1.414 3.293 1.00 0.00 C ATOM 0 H ILE A 29 -6.089 1.798 5.304 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.453 4.505 4.850 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.102 2.464 3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.033 2.846 1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.272 3.500 3.185 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.022 4.018 1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.937 4.702 2.770 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.276 5.254 2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.725 1.133 2.903 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.683 1.381 4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.455 0.717 2.923 1.00 0.00 H new ATOM 408 N GLY A 30 -8.643 3.791 5.391 1.00 0.00 N ATOM 409 CA GLY A 30 -9.917 4.387 5.751 1.00 0.00 C ATOM 410 C GLY A 30 -9.804 5.321 6.939 1.00 0.00 C ATOM 411 O GLY A 30 -10.323 6.437 6.910 1.00 0.00 O ATOM 0 H GLY A 30 -8.645 2.772 5.343 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.312 4.937 4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.632 3.597 5.980 1.00 0.00 H new ATOM 415 N GLN A 31 -9.124 4.866 7.986 1.00 0.00 N ATOM 416 CA GLN A 31 -8.948 5.669 9.190 1.00 0.00 C ATOM 417 C GLN A 31 -7.952 6.799 8.949 1.00 0.00 C ATOM 418 O GLN A 31 -8.219 7.955 9.277 1.00 0.00 O ATOM 419 CB GLN A 31 -8.471 4.792 10.349 1.00 0.00 C ATOM 420 CG GLN A 31 -9.604 4.196 11.168 1.00 0.00 C ATOM 421 CD GLN A 31 -10.397 5.249 11.920 1.00 0.00 C ATOM 422 OE1 GLN A 31 -9.884 5.889 12.838 1.00 0.00 O ATOM 423 NE2 GLN A 31 -11.654 5.433 11.533 1.00 0.00 N ATOM 0 H GLN A 31 -8.686 3.946 8.025 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.912 6.107 9.448 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.856 3.984 9.953 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.834 5.386 11.004 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.274 3.645 10.508 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.195 3.478 11.879 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.038 4.880 10.767 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.235 6.128 12.002 1.00 0.00 H new ATOM 430 N ALA A 32 -6.803 6.457 8.375 1.00 0.00 N ATOM 431 CA ALA A 32 -5.769 7.443 8.089 1.00 0.00 C ATOM 432 C ALA A 32 -6.313 8.574 7.224 1.00 0.00 C ATOM 433 O ALA A 32 -5.823 9.702 7.280 1.00 0.00 O ATOM 434 CB ALA A 32 -4.582 6.779 7.407 1.00 0.00 C ATOM 0 H ALA A 32 -6.565 5.504 8.099 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.438 7.871 9.035 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.817 7.527 7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.170 6.010 8.061 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.908 6.323 6.472 1.00 0.00 H new ATOM 440 N GLU A 33 -7.329 8.266 6.424 1.00 0.00 N ATOM 441 CA GLU A 33 -7.937 9.258 5.545 1.00 0.00 C ATOM 442 C GLU A 33 -8.802 10.231 6.342 1.00 0.00 C ATOM 443 O GLU A 33 -8.911 11.407 5.994 1.00 0.00 O ATOM 444 CB GLU A 33 -8.782 8.571 4.470 1.00 0.00 C ATOM 445 CG GLU A 33 -9.198 9.496 3.339 1.00 0.00 C ATOM 446 CD GLU A 33 -10.153 8.834 2.366 1.00 0.00 C ATOM 447 OE1 GLU A 33 -10.119 7.591 2.252 1.00 0.00 O ATOM 448 OE2 GLU A 33 -10.936 9.560 1.717 1.00 0.00 O ATOM 0 H GLU A 33 -7.748 7.338 6.367 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.136 9.819 5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.218 7.735 4.056 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.676 8.154 4.934 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.670 10.385 3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.310 9.829 2.801 1.00 0.00 H new ATOM 658 N PHE A 51 -3.016 20.750 -0.413 1.00 0.00 N ATOM 659 CA PHE A 51 -3.490 19.546 0.260 1.00 0.00 C ATOM 660 C PHE A 51 -4.270 18.656 -0.703 1.00 0.00 C ATOM 661 O PHE A 51 -4.174 17.430 -0.646 1.00 0.00 O ATOM 662 CB PHE A 51 -4.371 19.918 1.455 1.00 0.00 C ATOM 663 CG PHE A 51 -5.067 18.740 2.076 1.00 0.00 C ATOM 664 CD1 PHE A 51 -6.316 18.342 1.628 1.00 0.00 C ATOM 665 CD2 PHE A 51 -4.472 18.030 3.107 1.00 0.00 C ATOM 666 CE1 PHE A 51 -6.960 17.260 2.198 1.00 0.00 C ATOM 667 CE2 PHE A 51 -5.110 16.947 3.680 1.00 0.00 C ATOM 668 CZ PHE A 51 -6.355 16.560 3.224 1.00 0.00 C ATOM 0 HA PHE A 51 -2.621 18.993 0.616 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.757 20.407 2.211 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.118 20.643 1.134 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.792 18.884 0.824 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.498 18.327 3.467 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.935 16.962 1.842 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.636 16.403 4.484 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.855 15.712 3.669 1.00 0.00 H new ATOM 677 N GLN A 52 -5.041 19.282 -1.586 1.00 0.00 N ATOM 678 CA GLN A 52 -5.838 18.547 -2.561 1.00 0.00 C ATOM 679 C GLN A 52 -4.944 17.770 -3.521 1.00 0.00 C ATOM 680 O GLN A 52 -5.097 16.561 -3.686 1.00 0.00 O ATOM 681 CB GLN A 52 -6.735 19.507 -3.344 1.00 0.00 C ATOM 682 CG GLN A 52 -7.608 18.815 -4.379 1.00 0.00 C ATOM 683 CD GLN A 52 -9.013 18.552 -3.874 1.00 0.00 C ATOM 684 OE1 GLN A 52 -9.745 19.480 -3.526 1.00 0.00 O ATOM 685 NE2 GLN A 52 -9.399 17.283 -3.830 1.00 0.00 N ATOM 0 H GLN A 52 -5.131 20.296 -1.646 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.463 17.836 -2.020 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.373 20.047 -2.645 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.111 20.248 -3.844 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.658 19.431 -5.277 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.146 17.870 -4.666 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.761 16.545 -4.128 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.334 17.046 -3.498 1.00 0.00 H new ATOM 692 N ALA A 53 -4.008 18.473 -4.151 1.00 0.00 N ATOM 693 CA ALA A 53 -3.088 17.849 -5.093 1.00 0.00 C ATOM 694 C ALA A 53 -2.418 16.626 -4.477 1.00 0.00 C ATOM 695 O ALA A 53 -2.204 15.618 -5.150 1.00 0.00 O ATOM 696 CB ALA A 53 -2.039 18.852 -5.550 1.00 0.00 C ATOM 0 H ALA A 53 -3.867 19.475 -4.026 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.662 17.520 -5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.359 18.372 -6.253 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.529 19.695 -6.037 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.477 19.209 -4.687 1.00 0.00 H new ATOM 702 N ALA A 54 -2.089 16.721 -3.193 1.00 0.00 N ATOM 703 CA ALA A 54 -1.444 15.620 -2.486 1.00 0.00 C ATOM 704 C ALA A 54 -2.455 14.543 -2.108 1.00 0.00 C ATOM 705 O ALA A 54 -2.145 13.352 -2.129 1.00 0.00 O ATOM 706 CB ALA A 54 -0.730 16.136 -1.245 1.00 0.00 C ATOM 0 H ALA A 54 -2.258 17.548 -2.621 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.709 15.172 -3.155 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.253 15.304 -0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.027 16.864 -1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.452 16.611 -0.581 1.00 0.00 H new ATOM 712 N HIS A 55 -3.666 14.970 -1.762 1.00 0.00 N ATOM 713 CA HIS A 55 -4.723 14.041 -1.379 1.00 0.00 C ATOM 714 C HIS A 55 -5.098 13.133 -2.546 1.00 0.00 C ATOM 715 O HIS A 55 -5.453 11.971 -2.352 1.00 0.00 O ATOM 716 CB HIS A 55 -5.956 14.809 -0.898 1.00 0.00 C ATOM 717 CG HIS A 55 -7.148 13.935 -0.657 1.00 0.00 C ATOM 718 ND1 HIS A 55 -7.569 13.568 0.603 1.00 0.00 N ATOM 719 CD2 HIS A 55 -8.012 13.356 -1.524 1.00 0.00 C ATOM 720 CE1 HIS A 55 -8.639 12.801 0.501 1.00 0.00 C ATOM 721 NE2 HIS A 55 -8.929 12.657 -0.780 1.00 0.00 N ATOM 0 H HIS A 55 -3.939 15.953 -1.739 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.350 13.420 -0.564 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.709 15.336 0.024 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.214 15.566 -1.638 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.985 13.430 -2.601 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.185 12.365 1.325 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.707 12.115 -1.155 1.00 0.00 H new ATOM 728 N ALA A 56 -5.018 13.672 -3.759 1.00 0.00 N ATOM 729 CA ALA A 56 -5.347 12.910 -4.957 1.00 0.00 C ATOM 730 C ALA A 56 -4.304 11.830 -5.224 1.00 0.00 C ATOM 731 O ALA A 56 -4.618 10.774 -5.775 1.00 0.00 O ATOM 732 CB ALA A 56 -5.466 13.839 -6.156 1.00 0.00 C ATOM 0 H ALA A 56 -4.728 14.634 -3.937 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.307 12.419 -4.794 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.712 13.257 -7.044 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.252 14.571 -5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.519 14.355 -6.312 1.00 0.00 H new ATOM 738 N ARG A 57 -3.065 12.099 -4.830 1.00 0.00 N ATOM 739 CA ARG A 57 -1.976 11.150 -5.028 1.00 0.00 C ATOM 740 C ARG A 57 -2.190 9.895 -4.188 1.00 0.00 C ATOM 741 O ARG A 57 -1.893 8.783 -4.627 1.00 0.00 O ATOM 742 CB ARG A 57 -0.637 11.796 -4.670 1.00 0.00 C ATOM 743 CG ARG A 57 -0.145 12.794 -5.704 1.00 0.00 C ATOM 744 CD ARG A 57 1.229 13.338 -5.345 1.00 0.00 C ATOM 745 NE ARG A 57 2.304 12.505 -5.877 1.00 0.00 N ATOM 746 CZ ARG A 57 3.566 12.906 -5.975 1.00 0.00 C ATOM 747 NH1 ARG A 57 3.911 14.123 -5.576 1.00 0.00 N ATOM 748 NH2 ARG A 57 4.488 12.090 -6.470 1.00 0.00 N ATOM 0 H ARG A 57 -2.789 12.967 -4.371 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.963 10.864 -6.080 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.732 12.300 -3.708 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.112 11.014 -4.547 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.103 12.315 -6.682 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.854 13.618 -5.782 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.330 14.352 -5.733 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.322 13.401 -4.261 1.00 0.00 H new ATOM 0 HE ARG A 57 2.072 11.562 -6.191 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.206 14.753 -5.193 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.881 14.429 -5.652 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.228 11.152 -6.776 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.457 12.400 -6.544 1.00 0.00 H new ATOM 759 N PHE A 58 -2.705 10.080 -2.977 1.00 0.00 N ATOM 760 CA PHE A 58 -2.956 8.962 -2.074 1.00 0.00 C ATOM 761 C PHE A 58 -4.063 8.063 -2.618 1.00 0.00 C ATOM 762 O PHE A 58 -3.876 6.856 -2.776 1.00 0.00 O ATOM 763 CB PHE A 58 -3.337 9.478 -0.685 1.00 0.00 C ATOM 764 CG PHE A 58 -3.709 8.386 0.278 1.00 0.00 C ATOM 765 CD1 PHE A 58 -2.732 7.721 1.001 1.00 0.00 C ATOM 766 CD2 PHE A 58 -5.034 8.027 0.461 1.00 0.00 C ATOM 767 CE1 PHE A 58 -3.071 6.716 1.887 1.00 0.00 C ATOM 768 CE2 PHE A 58 -5.379 7.022 1.346 1.00 0.00 C ATOM 769 CZ PHE A 58 -4.396 6.366 2.060 1.00 0.00 C ATOM 0 H PHE A 58 -2.957 10.993 -2.598 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.041 8.375 -1.997 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.501 10.045 -0.275 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.175 10.169 -0.780 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.694 7.991 0.871 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.807 8.538 -0.094 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.300 6.204 2.444 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.416 6.751 1.479 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.662 5.581 2.752 1.00 0.00 H new ATOM 778 N VAL A 59 -5.217 8.659 -2.901 1.00 0.00 N ATOM 779 CA VAL A 59 -6.354 7.914 -3.426 1.00 0.00 C ATOM 780 C VAL A 59 -5.983 7.178 -4.708 1.00 0.00 C ATOM 781 O VAL A 59 -6.504 6.098 -4.989 1.00 0.00 O ATOM 782 CB VAL A 59 -7.551 8.842 -3.707 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.114 10.041 -4.534 1.00 0.00 C ATOM 784 CG2 VAL A 59 -8.664 8.077 -4.409 1.00 0.00 C ATOM 0 H VAL A 59 -5.389 9.657 -2.775 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.638 7.189 -2.663 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.936 9.208 -2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.973 10.685 -4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.353 10.601 -3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.702 9.698 -5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.502 8.747 -4.600 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.293 7.681 -5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.995 7.254 -3.776 1.00 0.00 H new ATOM 794 N ALA A 60 -5.080 7.768 -5.483 1.00 0.00 N ATOM 795 CA ALA A 60 -4.637 7.167 -6.735 1.00 0.00 C ATOM 796 C ALA A 60 -3.804 5.916 -6.479 1.00 0.00 C ATOM 797 O ALA A 60 -3.900 4.933 -7.214 1.00 0.00 O ATOM 798 CB ALA A 60 -3.842 8.175 -7.552 1.00 0.00 C ATOM 0 H ALA A 60 -4.640 8.662 -5.266 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.521 6.873 -7.301 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.517 7.713 -8.484 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.469 9.039 -7.774 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.969 8.497 -6.984 1.00 0.00 H new ATOM 804 N ALA A 61 -2.987 5.959 -5.432 1.00 0.00 N ATOM 805 CA ALA A 61 -2.138 4.828 -5.078 1.00 0.00 C ATOM 806 C ALA A 61 -2.930 3.759 -4.335 1.00 0.00 C ATOM 807 O ALA A 61 -2.721 2.564 -4.539 1.00 0.00 O ATOM 808 CB ALA A 61 -0.960 5.295 -4.237 1.00 0.00 C ATOM 0 H ALA A 61 -2.895 6.765 -4.814 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.759 4.387 -6.000 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.335 4.440 -3.980 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.372 6.017 -4.803 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.328 5.763 -3.324 1.00 0.00 H new ATOM 814 N ALA A 62 -3.840 4.196 -3.470 1.00 0.00 N ATOM 815 CA ALA A 62 -4.665 3.276 -2.698 1.00 0.00 C ATOM 816 C ALA A 62 -5.344 2.254 -3.603 1.00 0.00 C ATOM 817 O ALA A 62 -5.445 1.077 -3.260 1.00 0.00 O ATOM 818 CB ALA A 62 -5.703 4.045 -1.894 1.00 0.00 C ATOM 0 H ALA A 62 -4.024 5.182 -3.287 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.015 2.736 -2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.312 3.345 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.200 4.730 -1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.341 4.612 -2.572 1.00 0.00 H new ATOM 824 N ALA A 63 -5.810 2.714 -4.760 1.00 0.00 N ATOM 825 CA ALA A 63 -6.479 1.839 -5.715 1.00 0.00 C ATOM 826 C ALA A 63 -5.572 0.685 -6.132 1.00 0.00 C ATOM 827 O ALA A 63 -6.044 -0.408 -6.443 1.00 0.00 O ATOM 828 CB ALA A 63 -6.921 2.632 -6.936 1.00 0.00 C ATOM 0 H ALA A 63 -5.737 3.687 -5.058 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.359 1.418 -5.230 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.419 1.967 -7.641 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.611 3.418 -6.629 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.050 3.080 -7.414 1.00 0.00 H new ATOM 834 N LYS A 64 -4.267 0.937 -6.137 1.00 0.00 N ATOM 835 CA LYS A 64 -3.293 -0.080 -6.515 1.00 0.00 C ATOM 836 C LYS A 64 -3.264 -1.212 -5.492 1.00 0.00 C ATOM 837 O LYS A 64 -3.393 -2.385 -5.846 1.00 0.00 O ATOM 838 CB LYS A 64 -1.900 0.541 -6.642 1.00 0.00 C ATOM 839 CG LYS A 64 -1.097 -0.003 -7.811 1.00 0.00 C ATOM 840 CD LYS A 64 -1.034 -1.522 -7.786 1.00 0.00 C ATOM 841 CE LYS A 64 -0.205 -2.065 -8.940 1.00 0.00 C ATOM 842 NZ LYS A 64 -0.639 -1.499 -10.247 1.00 0.00 N ATOM 0 H LYS A 64 -3.860 1.837 -5.883 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.591 -0.492 -7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.001 1.621 -6.752 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.347 0.365 -5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.546 0.328 -8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.087 0.405 -7.780 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.605 -1.854 -6.841 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.043 -1.930 -7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.847 -1.831 -8.774 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.289 -3.151 -8.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.211 -2.046 -11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.675 -1.548 -10.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.334 -0.507 -10.314 1.00 0.00 H new ATOM 852 N VAL A 65 -3.098 -0.854 -4.224 1.00 0.00 N ATOM 853 CA VAL A 65 -3.054 -1.839 -3.150 1.00 0.00 C ATOM 854 C VAL A 65 -4.389 -2.567 -3.018 1.00 0.00 C ATOM 855 O VAL A 65 -4.428 -3.776 -2.792 1.00 0.00 O ATOM 856 CB VAL A 65 -2.704 -1.185 -1.801 1.00 0.00 C ATOM 857 CG1 VAL A 65 -2.428 -2.248 -0.747 1.00 0.00 C ATOM 858 CG2 VAL A 65 -1.511 -0.254 -1.955 1.00 0.00 C ATOM 0 H VAL A 65 -2.992 0.112 -3.914 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.275 -2.556 -3.410 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.558 -0.594 -1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.182 -1.767 0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.313 -2.871 -0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.591 -2.868 -1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.277 0.200 -0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.650 -0.821 -2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.750 0.528 -2.676 1.00 0.00 H new ATOM 868 N ASN A 66 -5.480 -1.821 -3.162 1.00 0.00 N ATOM 869 CA ASN A 66 -6.816 -2.394 -3.059 1.00 0.00 C ATOM 870 C ASN A 66 -7.057 -3.415 -4.168 1.00 0.00 C ATOM 871 O ASN A 66 -7.514 -4.529 -3.913 1.00 0.00 O ATOM 872 CB ASN A 66 -7.873 -1.291 -3.127 1.00 0.00 C ATOM 873 CG ASN A 66 -9.204 -1.798 -3.647 1.00 0.00 C ATOM 874 OD1 ASN A 66 -10.073 -2.201 -2.873 1.00 0.00 O ATOM 875 ND2 ASN A 66 -9.371 -1.779 -4.964 1.00 0.00 N ATOM 0 H ASN A 66 -5.464 -0.819 -3.350 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.893 -2.903 -2.098 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.013 -0.864 -2.134 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.516 -0.488 -3.772 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.247 -2.107 -5.372 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.624 -1.436 -5.568 1.00 0.00 H new ATOM 881 N THR A 67 -6.746 -3.026 -5.401 1.00 0.00 N ATOM 882 CA THR A 67 -6.929 -3.905 -6.548 1.00 0.00 C ATOM 883 C THR A 67 -6.143 -5.200 -6.380 1.00 0.00 C ATOM 884 O THR A 67 -6.692 -6.294 -6.517 1.00 0.00 O ATOM 885 CB THR A 67 -6.493 -3.219 -7.856 1.00 0.00 C ATOM 886 OG1 THR A 67 -7.300 -2.061 -8.096 1.00 0.00 O ATOM 887 CG2 THR A 67 -6.608 -4.175 -9.034 1.00 0.00 C ATOM 0 H THR A 67 -6.366 -2.107 -5.630 1.00 0.00 H new ATOM 0 HA THR A 67 -7.993 -4.134 -6.604 1.00 0.00 H new ATOM 0 HB THR A 67 -5.450 -2.919 -7.751 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.876 -1.277 -7.690 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.295 -3.668 -9.946 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.969 -5.042 -8.863 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.643 -4.502 -9.138 1.00 0.00 H new ATOM 895 N LEU A 68 -4.855 -5.070 -6.081 1.00 0.00 N ATOM 896 CA LEU A 68 -3.992 -6.231 -5.893 1.00 0.00 C ATOM 897 C LEU A 68 -4.522 -7.128 -4.780 1.00 0.00 C ATOM 898 O LEU A 68 -4.418 -8.353 -4.853 1.00 0.00 O ATOM 899 CB LEU A 68 -2.566 -5.784 -5.568 1.00 0.00 C ATOM 900 CG LEU A 68 -1.831 -5.027 -6.675 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.597 -4.332 -6.119 1.00 0.00 C ATOM 902 CD2 LEU A 68 -1.448 -5.973 -7.804 1.00 0.00 C ATOM 0 H LEU A 68 -4.385 -4.172 -5.964 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.984 -6.801 -6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.598 -5.150 -4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.981 -6.666 -5.308 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.502 -4.267 -7.075 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.087 -3.799 -6.921 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.895 -3.624 -5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.077 -5.074 -5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.926 -5.417 -8.583 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.795 -6.756 -7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.348 -6.424 -8.222 1.00 0.00 H new ATOM 913 N LEU A 69 -5.092 -6.512 -3.751 1.00 0.00 N ATOM 914 CA LEU A 69 -5.641 -7.254 -2.621 1.00 0.00 C ATOM 915 C LEU A 69 -6.696 -8.252 -3.088 1.00 0.00 C ATOM 916 O LEU A 69 -6.752 -9.383 -2.605 1.00 0.00 O ATOM 917 CB LEU A 69 -6.249 -6.292 -1.600 1.00 0.00 C ATOM 918 CG LEU A 69 -5.506 -6.170 -0.268 1.00 0.00 C ATOM 919 CD1 LEU A 69 -6.226 -5.203 0.658 1.00 0.00 C ATOM 920 CD2 LEU A 69 -5.362 -7.535 0.390 1.00 0.00 C ATOM 0 H LEU A 69 -5.186 -5.499 -3.675 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.827 -7.806 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.307 -5.302 -2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.271 -6.609 -1.395 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.508 -5.777 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.683 -5.129 1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.276 -4.220 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.236 -5.566 0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.831 -7.429 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.350 -7.956 0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.801 -8.199 -0.268 1.00 0.00 H new ATOM 931 N ASP A 70 -7.529 -7.826 -4.031 1.00 0.00 N ATOM 932 CA ASP A 70 -8.582 -8.683 -4.566 1.00 0.00 C ATOM 933 C ASP A 70 -8.001 -9.729 -5.514 1.00 0.00 C ATOM 934 O ASP A 70 -8.509 -10.847 -5.607 1.00 0.00 O ATOM 935 CB ASP A 70 -9.632 -7.844 -5.294 1.00 0.00 C ATOM 936 CG ASP A 70 -11.036 -8.382 -5.105 1.00 0.00 C ATOM 937 OD1 ASP A 70 -11.176 -9.592 -4.833 1.00 0.00 O ATOM 938 OD2 ASP A 70 -11.997 -7.594 -5.230 1.00 0.00 O ATOM 0 H ASP A 70 -7.496 -6.893 -4.441 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.057 -9.198 -3.731 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.588 -6.817 -4.931 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.397 -7.816 -6.358 1.00 0.00 H new ATOM 942 N VAL A 71 -6.935 -9.357 -6.215 1.00 0.00 N ATOM 943 CA VAL A 71 -6.285 -10.263 -7.155 1.00 0.00 C ATOM 944 C VAL A 71 -5.548 -11.379 -6.424 1.00 0.00 C ATOM 945 O VAL A 71 -5.510 -12.519 -6.886 1.00 0.00 O ATOM 946 CB VAL A 71 -5.291 -9.512 -8.061 1.00 0.00 C ATOM 947 CG1 VAL A 71 -4.626 -10.473 -9.035 1.00 0.00 C ATOM 948 CG2 VAL A 71 -5.993 -8.387 -8.805 1.00 0.00 C ATOM 0 H VAL A 71 -6.503 -8.435 -6.150 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.072 -10.697 -7.772 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.515 -9.073 -7.434 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.927 -9.925 -9.667 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.087 -11.240 -8.479 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.386 -10.944 -9.658 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.275 -7.867 -9.440 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.791 -8.801 -9.422 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.417 -7.685 -8.087 1.00 0.00 H new ATOM 958 N ALA A 72 -4.964 -11.043 -5.279 1.00 0.00 N ATOM 959 CA ALA A 72 -4.229 -12.017 -4.482 1.00 0.00 C ATOM 960 C ALA A 72 -5.138 -13.154 -4.031 1.00 0.00 C ATOM 961 O ALA A 72 -4.807 -14.328 -4.197 1.00 0.00 O ATOM 962 CB ALA A 72 -3.591 -11.339 -3.277 1.00 0.00 C ATOM 0 H ALA A 72 -4.986 -10.104 -4.882 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.442 -12.441 -5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.045 -12.078 -2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.903 -10.565 -3.617 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.368 -10.888 -2.660 1.00 0.00 H new ATOM 968 N GLN A 73 -6.285 -12.800 -3.460 1.00 0.00 N ATOM 969 CA GLN A 73 -7.241 -13.792 -2.983 1.00 0.00 C ATOM 970 C GLN A 73 -7.893 -14.523 -4.152 1.00 0.00 C ATOM 971 O GLN A 73 -8.166 -15.721 -4.074 1.00 0.00 O ATOM 972 CB GLN A 73 -8.313 -13.126 -2.119 1.00 0.00 C ATOM 973 CG GLN A 73 -7.747 -12.331 -0.954 1.00 0.00 C ATOM 974 CD GLN A 73 -8.770 -11.403 -0.329 1.00 0.00 C ATOM 975 OE1 GLN A 73 -8.906 -10.248 -0.732 1.00 0.00 O ATOM 976 NE2 GLN A 73 -9.497 -11.906 0.662 1.00 0.00 N ATOM 0 H GLN A 73 -6.575 -11.833 -3.316 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.700 -14.520 -2.378 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.912 -12.463 -2.744 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.985 -13.893 -1.733 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.376 -13.020 -0.195 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.894 -11.746 -1.298 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.351 -12.869 0.964 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.202 -11.329 1.121 1.00 0.00 H new ATOM 983 N ALA A 74 -8.144 -13.793 -5.234 1.00 0.00 N ATOM 984 CA ALA A 74 -8.765 -14.372 -6.419 1.00 0.00 C ATOM 985 C ALA A 74 -7.825 -15.359 -7.104 1.00 0.00 C ATOM 986 O ALA A 74 -8.266 -16.348 -7.686 1.00 0.00 O ATOM 987 CB ALA A 74 -9.177 -13.274 -7.389 1.00 0.00 C ATOM 0 H ALA A 74 -7.927 -12.800 -5.314 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.655 -14.916 -6.103 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.639 -13.721 -8.269 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.890 -12.608 -6.903 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.297 -12.706 -7.690 1.00 0.00 H new ATOM 993 N ASN A 75 -6.526 -15.081 -7.031 1.00 0.00 N ATOM 994 CA ASN A 75 -5.526 -15.944 -7.645 1.00 0.00 C ATOM 995 C ASN A 75 -5.257 -17.170 -6.777 1.00 0.00 C ATOM 996 O ASN A 75 -5.085 -18.279 -7.285 1.00 0.00 O ATOM 997 CB ASN A 75 -4.225 -15.170 -7.870 1.00 0.00 C ATOM 998 CG ASN A 75 -4.160 -14.536 -9.246 1.00 0.00 C ATOM 999 OD1 ASN A 75 -3.417 -14.990 -10.117 1.00 0.00 O ATOM 1000 ND2 ASN A 75 -4.941 -13.481 -9.448 1.00 0.00 N ATOM 0 H ASN A 75 -6.143 -14.265 -6.553 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.914 -16.280 -8.607 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.131 -14.394 -7.111 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.378 -15.844 -7.743 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.941 -13.013 -10.354 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.541 -13.139 -8.697 1.00 0.00 H new ATOM 1006 N LEU A 76 -5.223 -16.963 -5.465 1.00 0.00 N ATOM 1007 CA LEU A 76 -4.976 -18.051 -4.525 1.00 0.00 C ATOM 1008 C LEU A 76 -6.177 -18.988 -4.449 1.00 0.00 C ATOM 1009 O LEU A 76 -6.028 -20.187 -4.220 1.00 0.00 O ATOM 1010 CB LEU A 76 -4.664 -17.489 -3.136 1.00 0.00 C ATOM 1011 CG LEU A 76 -3.338 -16.740 -2.997 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -3.264 -16.032 -1.653 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -2.166 -17.696 -3.164 1.00 0.00 C ATOM 0 H LEU A 76 -5.363 -16.052 -5.028 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.117 -18.620 -4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.471 -16.815 -2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.669 -18.313 -2.423 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.282 -15.988 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.314 -15.504 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.084 -15.318 -1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.342 -16.766 -0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.230 -17.146 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.217 -18.471 -2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.210 -18.157 -4.151 1.00 0.00 H new ATOM 1024 N GLY A 77 -7.369 -18.431 -4.646 1.00 0.00 N ATOM 1025 CA GLY A 77 -8.578 -19.232 -4.599 1.00 0.00 C ATOM 1026 C GLY A 77 -8.999 -19.562 -3.181 1.00 0.00 C ATOM 1027 O GLY A 77 -10.079 -19.170 -2.741 1.00 0.00 O ATOM 0 H GLY A 77 -7.518 -17.440 -4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.385 -18.696 -5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.419 -20.158 -5.152 1.00 0.00 H new ATOM 1031 N GLU A 78 -8.145 -20.288 -2.465 1.00 0.00 N ATOM 1032 CA GLU A 78 -8.436 -20.673 -1.089 1.00 0.00 C ATOM 1033 C GLU A 78 -8.819 -19.454 -0.253 1.00 0.00 C ATOM 1034 O GLU A 78 -9.715 -19.522 0.587 1.00 0.00 O ATOM 1035 CB GLU A 78 -7.229 -21.375 -0.465 1.00 0.00 C ATOM 1036 CG GLU A 78 -7.589 -22.297 0.687 1.00 0.00 C ATOM 1037 CD GLU A 78 -6.369 -22.895 1.359 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -5.256 -22.373 1.142 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -6.527 -23.885 2.104 1.00 0.00 O ATOM 0 H GLU A 78 -7.247 -20.621 -2.815 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.280 -21.363 -1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.717 -21.952 -1.235 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.525 -20.622 -0.110 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.169 -21.742 1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.227 -23.101 0.319 1.00 0.00 H new ATOM 1044 N ALA A 79 -8.131 -18.342 -0.490 1.00 0.00 N ATOM 1045 CA ALA A 79 -8.400 -17.109 0.239 1.00 0.00 C ATOM 1046 C ALA A 79 -9.836 -16.645 0.025 1.00 0.00 C ATOM 1047 O ALA A 79 -10.627 -16.587 0.965 1.00 0.00 O ATOM 1048 CB ALA A 79 -7.423 -16.022 -0.186 1.00 0.00 C ATOM 0 H ALA A 79 -7.384 -18.270 -1.181 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.266 -17.308 1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.635 -15.106 0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.404 -16.346 0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.530 -15.834 -1.254 1.00 0.00 H new ATOM 1533 N ALA B 620 2.998 10.994 10.540 1.00 0.00 N ATOM 1534 CA ALA B 620 3.877 9.987 9.956 1.00 0.00 C ATOM 1535 C ALA B 620 3.517 8.590 10.450 1.00 0.00 C ATOM 1536 O ALA B 620 3.577 7.620 9.697 1.00 0.00 O ATOM 1537 CB ALA B 620 5.330 10.304 10.278 1.00 0.00 C ATOM 0 HA ALA B 620 3.743 10.007 8.874 1.00 0.00 H new ATOM 0 HB1 ALA B 620 5.975 9.544 9.836 1.00 0.00 H new ATOM 0 HB2 ALA B 620 5.588 11.281 9.870 1.00 0.00 H new ATOM 0 HB3 ALA B 620 5.469 10.314 11.359 1.00 0.00 H new ATOM 1543 N GLY B 621 3.141 8.496 11.722 1.00 0.00 N ATOM 1544 CA GLY B 621 2.777 7.214 12.296 1.00 0.00 C ATOM 1545 C GLY B 621 1.645 6.543 11.543 1.00 0.00 C ATOM 1546 O GLY B 621 1.683 5.337 11.295 1.00 0.00 O ATOM 0 H GLY B 621 3.082 9.285 12.365 1.00 0.00 H new ATOM 0 HA2 GLY B 621 3.648 6.559 12.296 1.00 0.00 H new ATOM 0 HA3 GLY B 621 2.484 7.355 13.336 1.00 0.00 H new ATOM 1550 N TYR B 622 0.633 7.324 11.181 1.00 0.00 N ATOM 1551 CA TYR B 622 -0.517 6.798 10.456 1.00 0.00 C ATOM 1552 C TYR B 622 -0.075 6.044 9.206 1.00 0.00 C ATOM 1553 O TYR B 622 -0.492 4.910 8.971 1.00 0.00 O ATOM 1554 CB TYR B 622 -1.468 7.933 10.073 1.00 0.00 C ATOM 1555 CG TYR B 622 -2.487 8.256 11.141 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -3.433 7.317 11.533 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -2.506 9.501 11.757 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -4.368 7.608 12.508 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -3.436 9.801 12.734 1.00 0.00 C ATOM 1560 CZ TYR B 622 -4.365 8.851 13.106 1.00 0.00 C ATOM 1561 OH TYR B 622 -5.293 9.145 14.078 1.00 0.00 O ATOM 0 H TYR B 622 0.586 8.324 11.378 1.00 0.00 H new ATOM 0 HA TYR B 622 -1.040 6.101 11.111 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -0.884 8.828 9.858 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -1.990 7.664 9.155 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -3.438 6.342 11.068 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -1.781 10.247 11.467 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -5.097 6.867 12.800 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -3.436 10.773 13.204 1.00 0.00 H new ATOM 0 HH TYR B 622 -5.153 10.061 14.397 1.00 0.00 H new ATOM 1570 N ALA B 623 0.772 6.683 8.407 1.00 0.00 N ATOM 1571 CA ALA B 623 1.274 6.074 7.181 1.00 0.00 C ATOM 1572 C ALA B 623 2.196 4.900 7.490 1.00 0.00 C ATOM 1573 O ALA B 623 2.233 3.916 6.751 1.00 0.00 O ATOM 1574 CB ALA B 623 2.002 7.110 6.337 1.00 0.00 C ATOM 0 H ALA B 623 1.126 7.623 8.586 1.00 0.00 H new ATOM 0 HA ALA B 623 0.422 5.695 6.617 1.00 0.00 H new ATOM 0 HB1 ALA B 623 2.372 6.642 5.425 1.00 0.00 H new ATOM 0 HB2 ALA B 623 1.316 7.916 6.079 1.00 0.00 H new ATOM 0 HB3 ALA B 623 2.841 7.515 6.902 1.00 0.00 H new ATOM 1580 N GLY B 624 2.941 5.008 8.586 1.00 0.00 N ATOM 1581 CA GLY B 624 3.852 3.947 8.972 1.00 0.00 C ATOM 1582 C GLY B 624 3.156 2.610 9.125 1.00 0.00 C ATOM 1583 O GLY B 624 3.780 1.557 8.994 1.00 0.00 O ATOM 0 H GLY B 624 2.930 5.812 9.214 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.640 3.859 8.224 1.00 0.00 H new ATOM 0 HA3 GLY B 624 4.334 4.211 9.913 1.00 0.00 H new ATOM 1587 N THR B 625 1.857 2.651 9.406 1.00 0.00 N ATOM 1588 CA THR B 625 1.075 1.434 9.580 1.00 0.00 C ATOM 1589 C THR B 625 0.899 0.698 8.256 1.00 0.00 C ATOM 1590 O THR B 625 0.784 -0.528 8.225 1.00 0.00 O ATOM 1591 CB THR B 625 -0.314 1.738 10.173 1.00 0.00 C ATOM 1592 OG1 THR B 625 -0.174 2.369 11.450 1.00 0.00 O ATOM 1593 CG2 THR B 625 -1.132 0.464 10.318 1.00 0.00 C ATOM 0 H THR B 625 1.325 3.514 9.518 1.00 0.00 H new ATOM 0 HA THR B 625 1.628 0.801 10.274 1.00 0.00 H new ATOM 0 HB THR B 625 -0.836 2.410 9.492 1.00 0.00 H new ATOM 0 HG1 THR B 625 -1.061 2.560 11.819 1.00 0.00 H new ATOM 0 HG21 THR B 625 -2.108 0.704 10.739 1.00 0.00 H new ATOM 0 HG22 THR B 625 -1.262 0.002 9.339 1.00 0.00 H new ATOM 0 HG23 THR B 625 -0.612 -0.229 10.980 1.00 0.00 H new ATOM 1601 N LEU B 626 0.879 1.454 7.163 1.00 0.00 N ATOM 1602 CA LEU B 626 0.719 0.874 5.835 1.00 0.00 C ATOM 1603 C LEU B 626 1.938 0.040 5.453 1.00 0.00 C ATOM 1604 O LEU B 626 1.808 -1.031 4.860 1.00 0.00 O ATOM 1605 CB LEU B 626 0.497 1.976 4.798 1.00 0.00 C ATOM 1606 CG LEU B 626 -0.754 2.835 4.990 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -0.846 3.894 3.902 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -2.003 1.966 4.996 1.00 0.00 C ATOM 0 H LEU B 626 0.972 2.470 7.171 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.153 0.221 5.855 1.00 0.00 H new ATOM 0 HB2 LEU B 626 1.368 2.632 4.802 1.00 0.00 H new ATOM 0 HB3 LEU B 626 0.449 1.515 3.811 1.00 0.00 H new ATOM 0 HG LEU B 626 -0.681 3.338 5.954 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -1.742 4.496 4.055 1.00 0.00 H new ATOM 0 HD12 LEU B 626 0.034 4.536 3.944 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -0.896 3.410 2.927 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -2.883 2.594 5.134 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -2.081 1.435 4.047 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -1.941 1.245 5.811 1.00 0.00 H new ATOM 1619 N GLN B 627 3.120 0.537 5.800 1.00 0.00 N ATOM 1620 CA GLN B 627 4.363 -0.164 5.495 1.00 0.00 C ATOM 1621 C GLN B 627 4.481 -1.443 6.315 1.00 0.00 C ATOM 1622 O GLN B 627 4.977 -2.460 5.829 1.00 0.00 O ATOM 1623 CB GLN B 627 5.564 0.744 5.767 1.00 0.00 C ATOM 1624 CG GLN B 627 6.827 0.316 5.036 1.00 0.00 C ATOM 1625 CD GLN B 627 8.091 0.730 5.764 1.00 0.00 C ATOM 1626 OE1 GLN B 627 8.035 1.399 6.796 1.00 0.00 O ATOM 1627 NE2 GLN B 627 9.238 0.332 5.229 1.00 0.00 N ATOM 0 H GLN B 627 3.244 1.422 6.292 1.00 0.00 H new ATOM 0 HA GLN B 627 4.351 -0.432 4.439 1.00 0.00 H new ATOM 0 HB2 GLN B 627 5.312 1.763 5.474 1.00 0.00 H new ATOM 0 HB3 GLN B 627 5.762 0.760 6.839 1.00 0.00 H new ATOM 0 HG2 GLN B 627 6.821 -0.767 4.912 1.00 0.00 H new ATOM 0 HG3 GLN B 627 6.829 0.751 4.036 1.00 0.00 H new ATOM 0 HE21 GLN B 627 9.236 -0.221 4.372 1.00 0.00 H new ATOM 0 HE22 GLN B 627 10.122 0.579 5.675 1.00 0.00 H new ATOM 1634 N SER B 628 4.023 -1.386 7.562 1.00 0.00 N ATOM 1635 CA SER B 628 4.083 -2.540 8.451 1.00 0.00 C ATOM 1636 C SER B 628 3.002 -3.556 8.094 1.00 0.00 C ATOM 1637 O SER B 628 3.287 -4.737 7.886 1.00 0.00 O ATOM 1638 CB SER B 628 3.922 -2.097 9.907 1.00 0.00 C ATOM 1639 OG SER B 628 3.661 -3.205 10.752 1.00 0.00 O ATOM 0 H SER B 628 3.607 -0.553 7.979 1.00 0.00 H new ATOM 0 HA SER B 628 5.057 -3.013 8.328 1.00 0.00 H new ATOM 0 HB2 SER B 628 4.828 -1.589 10.238 1.00 0.00 H new ATOM 0 HB3 SER B 628 3.107 -1.378 9.983 1.00 0.00 H new ATOM 0 HG SER B 628 3.564 -2.895 11.677 1.00 0.00 H new ATOM 1644 N LEU B 629 1.760 -3.091 8.028 1.00 0.00 N ATOM 1645 CA LEU B 629 0.635 -3.957 7.696 1.00 0.00 C ATOM 1646 C LEU B 629 0.765 -4.502 6.278 1.00 0.00 C ATOM 1647 O LEU B 629 0.689 -5.710 6.055 1.00 0.00 O ATOM 1648 CB LEU B 629 -0.683 -3.194 7.841 1.00 0.00 C ATOM 1649 CG LEU B 629 -1.905 -3.832 7.180 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -2.083 -5.266 7.657 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -3.156 -3.015 7.468 1.00 0.00 C ATOM 0 H LEU B 629 1.506 -2.118 8.200 1.00 0.00 H new ATOM 0 HA LEU B 629 0.640 -4.797 8.390 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -0.893 -3.070 8.903 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -0.549 -2.196 7.424 1.00 0.00 H new ATOM 0 HG LEU B 629 -1.744 -3.846 6.102 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -2.958 -5.704 7.176 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -1.198 -5.848 7.399 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -2.221 -5.275 8.738 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -4.015 -3.485 6.989 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -3.321 -2.969 8.545 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -3.029 -2.006 7.077 1.00 0.00 H new ATOM 1662 N GLY B 630 0.966 -3.602 5.319 1.00 0.00 N ATOM 1663 CA GLY B 630 1.107 -4.011 3.934 1.00 0.00 C ATOM 1664 C GLY B 630 2.151 -5.096 3.754 1.00 0.00 C ATOM 1665 O GLY B 630 1.912 -6.090 3.069 1.00 0.00 O ATOM 0 H GLY B 630 1.034 -2.597 5.477 1.00 0.00 H new ATOM 0 HA2 GLY B 630 0.146 -4.370 3.565 1.00 0.00 H new ATOM 0 HA3 GLY B 630 1.378 -3.146 3.329 1.00 0.00 H new ATOM 1669 N ALA B 631 3.314 -4.905 4.370 1.00 0.00 N ATOM 1670 CA ALA B 631 4.398 -5.874 4.274 1.00 0.00 C ATOM 1671 C ALA B 631 3.955 -7.244 4.777 1.00 0.00 C ATOM 1672 O ALA B 631 4.352 -8.273 4.232 1.00 0.00 O ATOM 1673 CB ALA B 631 5.610 -5.389 5.055 1.00 0.00 C ATOM 0 H ALA B 631 3.529 -4.087 4.941 1.00 0.00 H new ATOM 0 HA ALA B 631 4.673 -5.973 3.224 1.00 0.00 H new ATOM 0 HB1 ALA B 631 6.412 -6.123 4.975 1.00 0.00 H new ATOM 0 HB2 ALA B 631 5.948 -4.436 4.648 1.00 0.00 H new ATOM 0 HB3 ALA B 631 5.340 -5.260 6.103 1.00 0.00 H new ATOM 1679 N GLU B 632 3.131 -7.248 5.820 1.00 0.00 N ATOM 1680 CA GLU B 632 2.636 -8.492 6.398 1.00 0.00 C ATOM 1681 C GLU B 632 1.863 -9.303 5.360 1.00 0.00 C ATOM 1682 O GLU B 632 1.922 -10.533 5.349 1.00 0.00 O ATOM 1683 CB GLU B 632 1.741 -8.201 7.604 1.00 0.00 C ATOM 1684 CG GLU B 632 2.427 -7.387 8.687 1.00 0.00 C ATOM 1685 CD GLU B 632 2.566 -8.150 9.991 1.00 0.00 C ATOM 1686 OE1 GLU B 632 3.267 -9.184 10.000 1.00 0.00 O ATOM 1687 OE2 GLU B 632 1.975 -7.714 11.000 1.00 0.00 O ATOM 0 H GLU B 632 2.792 -6.404 6.282 1.00 0.00 H new ATOM 0 HA GLU B 632 3.495 -9.077 6.727 1.00 0.00 H new ATOM 0 HB2 GLU B 632 0.853 -7.666 7.267 1.00 0.00 H new ATOM 0 HB3 GLU B 632 1.402 -9.145 8.030 1.00 0.00 H new ATOM 0 HG2 GLU B 632 3.415 -7.086 8.339 1.00 0.00 H new ATOM 0 HG3 GLU B 632 1.860 -6.473 8.864 1.00 0.00 H new ATOM 1692 N ILE B 633 1.138 -8.605 4.493 1.00 0.00 N ATOM 1693 CA ILE B 633 0.354 -9.259 3.453 1.00 0.00 C ATOM 1694 C ILE B 633 1.254 -9.826 2.360 1.00 0.00 C ATOM 1695 O ILE B 633 1.074 -10.961 1.920 1.00 0.00 O ATOM 1696 CB ILE B 633 -0.658 -8.288 2.817 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -1.600 -7.728 3.883 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.448 -8.990 1.721 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -2.493 -6.616 3.377 1.00 0.00 C ATOM 0 H ILE B 633 1.077 -7.587 4.490 1.00 0.00 H new ATOM 0 HA ILE B 633 -0.188 -10.074 3.932 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.111 -7.458 2.370 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -2.222 -8.536 4.267 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -1.009 -7.356 4.720 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.159 -8.291 1.281 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -0.764 -9.346 0.950 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -1.987 -9.837 2.146 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -3.134 -6.267 4.187 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -1.878 -5.790 3.019 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -3.111 -6.989 2.560 1.00 0.00 H new ATOM 1710 N ALA B 634 2.225 -9.028 1.928 1.00 0.00 N ATOM 1711 CA ALA B 634 3.156 -9.451 0.889 1.00 0.00 C ATOM 1712 C ALA B 634 3.940 -10.685 1.325 1.00 0.00 C ATOM 1713 O ALA B 634 4.300 -11.526 0.501 1.00 0.00 O ATOM 1714 CB ALA B 634 4.107 -8.315 0.539 1.00 0.00 C ATOM 0 H ALA B 634 2.387 -8.085 2.281 1.00 0.00 H new ATOM 0 HA ALA B 634 2.579 -9.714 0.002 1.00 0.00 H new ATOM 0 HB1 ALA B 634 4.797 -8.644 -0.238 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.535 -7.460 0.178 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.671 -8.026 1.426 1.00 0.00 H new ATOM 1720 N VAL B 635 4.202 -10.786 2.624 1.00 0.00 N ATOM 1721 CA VAL B 635 4.943 -11.917 3.168 1.00 0.00 C ATOM 1722 C VAL B 635 4.057 -13.153 3.275 1.00 0.00 C ATOM 1723 O VAL B 635 4.532 -14.282 3.150 1.00 0.00 O ATOM 1724 CB VAL B 635 5.522 -11.593 4.557 1.00 0.00 C ATOM 1725 CG1 VAL B 635 6.273 -12.791 5.118 1.00 0.00 C ATOM 1726 CG2 VAL B 635 6.429 -10.373 4.486 1.00 0.00 C ATOM 0 H VAL B 635 3.912 -10.098 3.319 1.00 0.00 H new ATOM 0 HA VAL B 635 5.763 -12.119 2.479 1.00 0.00 H new ATOM 0 HB VAL B 635 4.695 -11.365 5.229 1.00 0.00 H new ATOM 0 HG11 VAL B 635 6.674 -12.541 6.100 1.00 0.00 H new ATOM 0 HG12 VAL B 635 5.592 -13.637 5.209 1.00 0.00 H new ATOM 0 HG13 VAL B 635 7.091 -13.054 4.448 1.00 0.00 H new ATOM 0 HG21 VAL B 635 6.829 -10.159 5.477 1.00 0.00 H new ATOM 0 HG22 VAL B 635 7.251 -10.570 3.798 1.00 0.00 H new ATOM 0 HG23 VAL B 635 5.858 -9.515 4.132 1.00 0.00 H new ATOM 1736 N GLU B 636 2.768 -12.933 3.507 1.00 0.00 N ATOM 1737 CA GLU B 636 1.815 -14.030 3.632 1.00 0.00 C ATOM 1738 C GLU B 636 1.662 -14.771 2.305 1.00 0.00 C ATOM 1739 O GLU B 636 1.803 -15.992 2.246 1.00 0.00 O ATOM 1740 CB GLU B 636 0.455 -13.505 4.095 1.00 0.00 C ATOM 1741 CG GLU B 636 0.121 -13.865 5.533 1.00 0.00 C ATOM 1742 CD GLU B 636 -0.537 -15.225 5.656 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -1.524 -15.474 4.933 1.00 0.00 O ATOM 1744 OE2 GLU B 636 -0.066 -16.039 6.477 1.00 0.00 O ATOM 0 H GLU B 636 2.359 -12.005 3.612 1.00 0.00 H new ATOM 0 HA GLU B 636 2.199 -14.727 4.377 1.00 0.00 H new ATOM 0 HB2 GLU B 636 0.438 -12.420 3.987 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -0.321 -13.902 3.440 1.00 0.00 H new ATOM 0 HG2 GLU B 636 1.034 -13.852 6.128 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -0.542 -13.106 5.949 1.00 0.00 H new ATOM 1749 N GLN B 637 1.373 -14.022 1.247 1.00 0.00 N ATOM 1750 CA GLN B 637 1.200 -14.607 -0.077 1.00 0.00 C ATOM 1751 C GLN B 637 2.482 -15.291 -0.543 1.00 0.00 C ATOM 1752 O GLN B 637 2.440 -16.258 -1.302 1.00 0.00 O ATOM 1753 CB GLN B 637 0.787 -13.531 -1.084 1.00 0.00 C ATOM 1754 CG GLN B 637 1.924 -12.606 -1.485 1.00 0.00 C ATOM 1755 CD GLN B 637 2.586 -13.023 -2.783 1.00 0.00 C ATOM 1756 OE1 GLN B 637 1.929 -13.142 -3.818 1.00 0.00 O ATOM 1757 NE2 GLN B 637 3.894 -13.246 -2.737 1.00 0.00 N ATOM 0 H GLN B 637 1.254 -13.010 1.280 1.00 0.00 H new ATOM 0 HA GLN B 637 0.412 -15.357 -0.014 1.00 0.00 H new ATOM 0 HB2 GLN B 637 0.390 -14.014 -1.977 1.00 0.00 H new ATOM 0 HB3 GLN B 637 -0.021 -12.937 -0.657 1.00 0.00 H new ATOM 0 HG2 GLN B 637 1.542 -11.590 -1.586 1.00 0.00 H new ATOM 0 HG3 GLN B 637 2.670 -12.588 -0.691 1.00 0.00 H new ATOM 0 HE21 GLN B 637 4.400 -13.136 -1.858 1.00 0.00 H new ATOM 0 HE22 GLN B 637 4.393 -13.528 -3.581 1.00 0.00 H new ATOM 1764 N ALA B 638 3.619 -14.780 -0.082 1.00 0.00 N ATOM 1765 CA ALA B 638 4.913 -15.342 -0.450 1.00 0.00 C ATOM 1766 C ALA B 638 5.013 -16.805 -0.034 1.00 0.00 C ATOM 1767 O ALA B 638 5.779 -17.574 -0.614 1.00 0.00 O ATOM 1768 CB ALA B 638 6.037 -14.535 0.180 1.00 0.00 C ATOM 0 H ALA B 638 3.670 -13.978 0.547 1.00 0.00 H new ATOM 0 HA ALA B 638 5.008 -15.292 -1.535 1.00 0.00 H new ATOM 0 HB1 ALA B 638 6.997 -14.966 -0.103 1.00 0.00 H new ATOM 0 HB2 ALA B 638 5.985 -13.504 -0.170 1.00 0.00 H new ATOM 0 HB3 ALA B 638 5.936 -14.556 1.265 1.00 0.00 H new ATOM 1774 N ALA B 639 4.235 -17.185 0.975 1.00 0.00 N ATOM 1775 CA ALA B 639 4.236 -18.557 1.467 1.00 0.00 C ATOM 1776 C ALA B 639 3.282 -19.430 0.660 1.00 0.00 C ATOM 1777 O ALA B 639 3.453 -20.648 0.584 1.00 0.00 O ATOM 1778 CB ALA B 639 3.864 -18.588 2.942 1.00 0.00 C ATOM 0 H ALA B 639 3.596 -16.561 1.468 1.00 0.00 H new ATOM 0 HA ALA B 639 5.242 -18.959 1.349 1.00 0.00 H new ATOM 0 HB1 ALA B 639 3.868 -19.619 3.297 1.00 0.00 H new ATOM 0 HB2 ALA B 639 4.587 -18.005 3.512 1.00 0.00 H new ATOM 0 HB3 ALA B 639 2.869 -18.163 3.075 1.00 0.00 H new ATOM 1784 N LEU B 640 2.278 -18.803 0.059 1.00 0.00 N ATOM 1785 CA LEU B 640 1.295 -19.523 -0.743 1.00 0.00 C ATOM 1786 C LEU B 640 1.598 -19.382 -2.232 1.00 0.00 C ATOM 1787 O LEU B 640 0.697 -19.452 -3.066 1.00 0.00 O ATOM 1788 CB LEU B 640 -0.113 -19.006 -0.446 1.00 0.00 C ATOM 1789 CG LEU B 640 -0.403 -18.650 1.013 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -1.740 -17.932 1.131 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -0.389 -19.900 1.880 1.00 0.00 C ATOM 0 H LEU B 640 2.123 -17.796 0.112 1.00 0.00 H new ATOM 0 HA LEU B 640 1.350 -20.579 -0.478 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.290 -18.121 -1.057 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -0.831 -19.762 -0.764 1.00 0.00 H new ATOM 0 HG LEU B 640 0.380 -17.979 1.366 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -1.930 -17.686 2.176 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -1.714 -17.015 0.542 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -2.535 -18.579 0.760 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -0.597 -19.628 2.915 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -1.151 -20.596 1.528 1.00 0.00 H new ATOM 0 HD23 LEU B 640 0.591 -20.374 1.820 1.00 0.00 H new ATOM 1802 N GLN B 641 2.871 -19.185 -2.555 1.00 0.00 N ATOM 1803 CA GLN B 641 3.292 -19.035 -3.943 1.00 0.00 C ATOM 1804 C GLN B 641 2.892 -20.253 -4.768 1.00 0.00 C ATOM 1805 O GLN B 641 2.468 -20.125 -5.916 1.00 0.00 O ATOM 1806 CB GLN B 641 4.806 -18.828 -4.020 1.00 0.00 C ATOM 1807 CG GLN B 641 5.266 -17.489 -3.466 1.00 0.00 C ATOM 1808 CD GLN B 641 5.134 -16.364 -4.474 1.00 0.00 C ATOM 1809 OE1 GLN B 641 6.010 -16.163 -5.316 1.00 0.00 O ATOM 1810 NE2 GLN B 641 4.035 -15.622 -4.394 1.00 0.00 N ATOM 0 H GLN B 641 3.629 -19.125 -1.875 1.00 0.00 H new ATOM 0 HA GLN B 641 2.791 -18.159 -4.355 1.00 0.00 H new ATOM 0 HB2 GLN B 641 5.302 -19.629 -3.471 1.00 0.00 H new ATOM 0 HB3 GLN B 641 5.123 -18.910 -5.060 1.00 0.00 H new ATOM 0 HG2 GLN B 641 4.681 -17.247 -2.579 1.00 0.00 H new ATOM 0 HG3 GLN B 641 6.306 -17.569 -3.150 1.00 0.00 H new ATOM 0 HE21 GLN B 641 3.334 -15.824 -3.681 1.00 0.00 H new ATOM 0 HE22 GLN B 641 3.892 -14.851 -5.046 1.00 0.00 H new ATOM 1817 N SER B 642 3.028 -21.435 -4.174 1.00 0.00 N ATOM 1818 CA SER B 642 2.685 -22.678 -4.856 1.00 0.00 C ATOM 1819 C SER B 642 1.184 -22.753 -5.122 1.00 0.00 C ATOM 1820 O SER B 642 0.742 -23.415 -6.061 1.00 0.00 O ATOM 1821 CB SER B 642 3.127 -23.881 -4.022 1.00 0.00 C ATOM 1822 OG SER B 642 4.524 -24.092 -4.133 1.00 0.00 O ATOM 0 H SER B 642 3.373 -21.558 -3.222 1.00 0.00 H new ATOM 0 HA SER B 642 3.208 -22.697 -5.812 1.00 0.00 H new ATOM 0 HB2 SER B 642 2.862 -23.720 -2.977 1.00 0.00 H new ATOM 0 HB3 SER B 642 2.594 -24.772 -4.352 1.00 0.00 H new ATOM 0 HG SER B 642 4.782 -24.865 -3.589 1.00 0.00 H new ATOM 1827 N ALA B 643 0.406 -22.070 -4.290 1.00 0.00 N ATOM 1828 CA ALA B 643 -1.044 -22.058 -4.435 1.00 0.00 C ATOM 1829 C ALA B 643 -1.472 -21.144 -5.578 1.00 0.00 C ATOM 1830 O ALA B 643 -2.495 -21.379 -6.223 1.00 0.00 O ATOM 1831 CB ALA B 643 -1.702 -21.622 -3.134 1.00 0.00 C ATOM 0 H ALA B 643 0.756 -21.517 -3.508 1.00 0.00 H new ATOM 0 HA ALA B 643 -1.369 -23.071 -4.671 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -2.785 -21.618 -3.258 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -1.430 -22.316 -2.338 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -1.363 -20.620 -2.873 1.00 0.00 H new ATOM 1837 N TRP B 644 -0.686 -20.103 -5.824 1.00 0.00 N ATOM 1838 CA TRP B 644 -0.987 -19.154 -6.890 1.00 0.00 C ATOM 1839 C TRP B 644 -1.209 -19.875 -8.215 1.00 0.00 C ATOM 1840 O TRP B 644 -0.576 -20.893 -8.490 1.00 0.00 O ATOM 1841 CB TRP B 644 0.150 -18.139 -7.032 1.00 0.00 C ATOM 1842 CG TRP B 644 -0.248 -16.903 -7.779 1.00 0.00 C ATOM 1843 CD1 TRP B 644 -0.295 -16.744 -9.135 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.652 -15.652 -7.212 1.00 0.00 C ATOM 1845 NE1 TRP B 644 -0.705 -15.469 -9.444 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.931 -14.779 -8.283 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.808 -15.185 -5.904 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -1.354 -13.468 -8.083 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -1.228 -13.883 -5.709 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -1.498 -13.037 -6.793 1.00 0.00 C ATOM 0 H TRP B 644 0.164 -19.894 -5.301 1.00 0.00 H new ATOM 0 HA TRP B 644 -1.905 -18.628 -6.626 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.502 -17.858 -6.040 1.00 0.00 H new ATOM 0 HB3 TRP B 644 0.987 -18.612 -7.545 1.00 0.00 H new ATOM 0 HD1 TRP B 644 -0.047 -17.507 -9.857 1.00 0.00 H new ATOM 0 HE1 TRP B 644 -0.822 -15.097 -10.386 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.604 -15.829 -5.062 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -1.561 -12.814 -8.917 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.350 -13.511 -4.703 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.826 -12.025 -6.606 1.00 0.00 H new ATOM 1860 N GLN B 645 -2.112 -19.340 -9.030 1.00 0.00 N ATOM 1861 CA GLN B 645 -2.418 -19.935 -10.326 1.00 0.00 C ATOM 1862 C GLN B 645 -1.539 -19.338 -11.420 1.00 0.00 C ATOM 1863 O GLN B 645 -0.721 -20.032 -12.021 1.00 0.00 O ATOM 1864 CB GLN B 645 -3.894 -19.728 -10.670 1.00 0.00 C ATOM 1865 CG GLN B 645 -4.847 -20.266 -9.615 1.00 0.00 C ATOM 1866 CD GLN B 645 -5.042 -21.766 -9.717 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -5.849 -22.246 -10.513 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -4.302 -22.516 -8.908 1.00 0.00 N ATOM 0 H GLN B 645 -2.644 -18.496 -8.816 1.00 0.00 H new ATOM 0 HA GLN B 645 -2.214 -21.004 -10.265 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -4.080 -18.663 -10.806 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -4.108 -20.214 -11.622 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -4.464 -20.020 -8.625 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -5.812 -19.770 -9.716 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -3.645 -22.076 -8.263 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -4.391 -23.532 -8.931 1.00 0.00 H new ATOM 1875 N GLY B 646 -1.715 -18.045 -11.673 1.00 0.00 N ATOM 1876 CA GLY B 646 -0.931 -17.376 -12.696 1.00 0.00 C ATOM 1877 C GLY B 646 -1.603 -17.409 -14.055 1.00 0.00 C ATOM 1878 O GLY B 646 -0.949 -17.226 -15.082 1.00 0.00 O ATOM 0 H GLY B 646 -2.386 -17.449 -11.189 1.00 0.00 H new ATOM 0 HA2 GLY B 646 -0.764 -16.340 -12.402 1.00 0.00 H new ATOM 0 HA3 GLY B 646 0.048 -17.849 -12.767 1.00 0.00 H new ATOM 1882 N ASP B 647 -2.909 -17.645 -14.063 1.00 0.00 N ATOM 1883 CA ASP B 647 -3.669 -17.704 -15.306 1.00 0.00 C ATOM 1884 C ASP B 647 -4.975 -16.925 -15.182 1.00 0.00 C ATOM 1885 O ASP B 647 -5.951 -17.213 -15.875 1.00 0.00 O ATOM 1886 CB ASP B 647 -3.961 -19.157 -15.683 1.00 0.00 C ATOM 1887 CG ASP B 647 -3.564 -19.476 -17.111 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -4.383 -19.238 -18.022 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -2.434 -19.966 -17.317 1.00 0.00 O ATOM 0 H ASP B 647 -3.465 -17.799 -13.222 1.00 0.00 H new ATOM 0 HA ASP B 647 -3.068 -17.247 -16.092 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -3.426 -19.820 -15.003 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -5.024 -19.357 -15.551 1.00 0.00 H new ATOM 1893 N THR B 648 -4.986 -15.936 -14.294 1.00 0.00 N ATOM 1894 CA THR B 648 -6.172 -15.116 -14.078 1.00 0.00 C ATOM 1895 C THR B 648 -5.891 -13.651 -14.386 1.00 0.00 C ATOM 1896 O THR B 648 -6.779 -12.915 -14.815 1.00 0.00 O ATOM 1897 CB THR B 648 -6.680 -15.236 -12.628 1.00 0.00 C ATOM 1898 OG1 THR B 648 -5.636 -14.885 -11.712 1.00 0.00 O ATOM 1899 CG2 THR B 648 -7.161 -16.649 -12.338 1.00 0.00 C ATOM 0 H THR B 648 -4.187 -15.683 -13.713 1.00 0.00 H new ATOM 0 HA THR B 648 -6.940 -15.486 -14.757 1.00 0.00 H new ATOM 0 HB THR B 648 -7.518 -14.551 -12.503 1.00 0.00 H new ATOM 0 HG1 THR B 648 -4.987 -15.617 -11.660 1.00 0.00 H new ATOM 0 HG21 THR B 648 -7.515 -16.709 -11.309 1.00 0.00 H new ATOM 0 HG22 THR B 648 -7.975 -16.903 -13.017 1.00 0.00 H new ATOM 0 HG23 THR B 648 -6.338 -17.350 -12.480 1.00 0.00 H new ATOM 1907 N GLY B 649 -4.648 -13.231 -14.165 1.00 0.00 N ATOM 1908 CA GLY B 649 -4.273 -11.853 -14.427 1.00 0.00 C ATOM 1909 C GLY B 649 -2.861 -11.542 -13.972 1.00 0.00 C ATOM 1910 O GLY B 649 -1.963 -11.359 -14.795 1.00 0.00 O ATOM 0 H GLY B 649 -3.895 -13.820 -13.810 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -4.360 -11.652 -15.495 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -4.970 -11.187 -13.919 1.00 0.00 H new ATOM 1914 N ILE B 650 -2.664 -11.478 -12.660 1.00 0.00 N ATOM 1915 CA ILE B 650 -1.351 -11.184 -12.098 1.00 0.00 C ATOM 1916 C ILE B 650 -0.652 -12.461 -11.641 1.00 0.00 C ATOM 1917 O ILE B 650 -1.290 -13.388 -11.142 1.00 0.00 O ATOM 1918 CB ILE B 650 -1.452 -10.214 -10.908 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -2.122 -8.908 -11.342 1.00 0.00 C ATOM 1920 CG2 ILE B 650 -0.072 -9.939 -10.329 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -2.268 -7.901 -10.223 1.00 0.00 C ATOM 0 H ILE B 650 -3.397 -11.626 -11.966 1.00 0.00 H new ATOM 0 HA ILE B 650 -0.766 -10.714 -12.889 1.00 0.00 H new ATOM 0 HB ILE B 650 -2.064 -10.676 -10.134 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -1.540 -8.461 -12.148 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -3.108 -9.133 -11.748 1.00 0.00 H new ATOM 0 HG21 ILE B 650 -0.161 -9.251 -9.488 1.00 0.00 H new ATOM 0 HG22 ILE B 650 0.372 -10.874 -9.988 1.00 0.00 H new ATOM 0 HG23 ILE B 650 0.562 -9.495 -11.096 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.751 -7.001 -10.604 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -2.876 -8.329 -9.426 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -1.283 -7.647 -9.832 1.00 0.00 H new ATOM 1932 N THR B 651 0.666 -12.500 -11.812 1.00 0.00 N ATOM 1933 CA THR B 651 1.453 -13.661 -11.417 1.00 0.00 C ATOM 1934 C THR B 651 2.118 -13.439 -10.062 1.00 0.00 C ATOM 1935 O THR B 651 2.068 -12.341 -9.508 1.00 0.00 O ATOM 1936 CB THR B 651 2.538 -13.987 -12.461 1.00 0.00 C ATOM 1937 OG1 THR B 651 2.313 -13.226 -13.653 1.00 0.00 O ATOM 1938 CG2 THR B 651 2.540 -15.472 -12.793 1.00 0.00 C ATOM 0 H THR B 651 1.210 -11.741 -12.221 1.00 0.00 H new ATOM 0 HA THR B 651 0.763 -14.502 -11.347 1.00 0.00 H new ATOM 0 HB THR B 651 3.509 -13.724 -12.040 1.00 0.00 H new ATOM 0 HG1 THR B 651 3.007 -13.437 -14.312 1.00 0.00 H new ATOM 0 HG21 THR B 651 3.314 -15.679 -13.532 1.00 0.00 H new ATOM 0 HG22 THR B 651 2.739 -16.047 -11.889 1.00 0.00 H new ATOM 0 HG23 THR B 651 1.568 -15.756 -13.197 1.00 0.00 H new ATOM 1946 N TYR B 652 2.741 -14.488 -9.537 1.00 0.00 N ATOM 1947 CA TYR B 652 3.415 -14.408 -8.246 1.00 0.00 C ATOM 1948 C TYR B 652 4.608 -13.457 -8.312 1.00 0.00 C ATOM 1949 O TYR B 652 4.873 -12.713 -7.369 1.00 0.00 O ATOM 1950 CB TYR B 652 3.879 -15.795 -7.802 1.00 0.00 C ATOM 1951 CG TYR B 652 4.890 -16.423 -8.735 1.00 0.00 C ATOM 1952 CD1 TYR B 652 4.482 -17.190 -9.818 1.00 0.00 C ATOM 1953 CD2 TYR B 652 6.254 -16.248 -8.532 1.00 0.00 C ATOM 1954 CE1 TYR B 652 5.402 -17.767 -10.673 1.00 0.00 C ATOM 1955 CE2 TYR B 652 7.181 -16.819 -9.382 1.00 0.00 C ATOM 1956 CZ TYR B 652 6.750 -17.578 -10.450 1.00 0.00 C ATOM 1957 OH TYR B 652 7.670 -18.148 -11.300 1.00 0.00 O ATOM 0 H TYR B 652 2.793 -15.403 -9.985 1.00 0.00 H new ATOM 0 HA TYR B 652 2.703 -14.020 -7.517 1.00 0.00 H new ATOM 0 HB2 TYR B 652 4.314 -15.722 -6.805 1.00 0.00 H new ATOM 0 HB3 TYR B 652 3.012 -16.451 -7.724 1.00 0.00 H new ATOM 0 HD1 TYR B 652 3.427 -17.338 -9.995 1.00 0.00 H new ATOM 0 HD2 TYR B 652 6.595 -15.656 -7.696 1.00 0.00 H new ATOM 0 HE1 TYR B 652 5.068 -18.362 -11.510 1.00 0.00 H new ATOM 0 HE2 TYR B 652 8.237 -16.672 -9.211 1.00 0.00 H new ATOM 0 HH TYR B 652 8.575 -17.918 -11.004 1.00 0.00 H new ATOM 1966 N GLN B 653 5.320 -13.490 -9.433 1.00 0.00 N ATOM 1967 CA GLN B 653 6.484 -12.633 -9.623 1.00 0.00 C ATOM 1968 C GLN B 653 6.062 -11.186 -9.862 1.00 0.00 C ATOM 1969 O GLN B 653 6.675 -10.257 -9.340 1.00 0.00 O ATOM 1970 CB GLN B 653 7.325 -13.131 -10.799 1.00 0.00 C ATOM 1971 CG GLN B 653 6.560 -13.191 -12.112 1.00 0.00 C ATOM 1972 CD GLN B 653 7.378 -13.793 -13.237 1.00 0.00 C ATOM 1973 OE1 GLN B 653 8.365 -14.490 -12.999 1.00 0.00 O ATOM 1974 NE2 GLN B 653 6.971 -13.528 -14.473 1.00 0.00 N ATOM 0 H GLN B 653 5.112 -14.100 -10.223 1.00 0.00 H new ATOM 0 HA GLN B 653 7.084 -12.673 -8.714 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.188 -12.477 -10.921 1.00 0.00 H new ATOM 0 HB3 GLN B 653 7.708 -14.124 -10.566 1.00 0.00 H new ATOM 0 HG2 GLN B 653 5.653 -13.779 -11.973 1.00 0.00 H new ATOM 0 HG3 GLN B 653 6.248 -12.185 -12.393 1.00 0.00 H new ATOM 0 HE21 GLN B 653 6.148 -12.946 -14.625 1.00 0.00 H new ATOM 0 HE22 GLN B 653 7.482 -13.907 -15.270 1.00 0.00 H new ATOM 1981 N ALA B 654 5.011 -11.006 -10.655 1.00 0.00 N ATOM 1982 CA ALA B 654 4.505 -9.673 -10.961 1.00 0.00 C ATOM 1983 C ALA B 654 3.859 -9.035 -9.736 1.00 0.00 C ATOM 1984 O ALA B 654 4.146 -7.887 -9.400 1.00 0.00 O ATOM 1985 CB ALA B 654 3.511 -9.737 -12.111 1.00 0.00 C ATOM 0 H ALA B 654 4.493 -11.766 -11.097 1.00 0.00 H new ATOM 0 HA ALA B 654 5.349 -9.051 -11.259 1.00 0.00 H new ATOM 0 HB1 ALA B 654 3.141 -8.735 -12.329 1.00 0.00 H new ATOM 0 HB2 ALA B 654 4.003 -10.142 -12.995 1.00 0.00 H new ATOM 0 HB3 ALA B 654 2.675 -10.380 -11.834 1.00 0.00 H new ATOM 1991 N TRP B 655 2.988 -9.787 -9.074 1.00 0.00 N ATOM 1992 CA TRP B 655 2.301 -9.294 -7.886 1.00 0.00 C ATOM 1993 C TRP B 655 3.300 -8.794 -6.848 1.00 0.00 C ATOM 1994 O TRP B 655 3.138 -7.708 -6.293 1.00 0.00 O ATOM 1995 CB TRP B 655 1.429 -10.396 -7.283 1.00 0.00 C ATOM 1996 CG TRP B 655 0.477 -9.895 -6.238 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.852 -9.625 -6.402 1.00 0.00 C ATOM 1998 CD2 TRP B 655 0.782 -9.603 -4.870 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.390 -9.182 -5.219 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.410 -9.160 -4.263 1.00 0.00 C ATOM 2001 CE3 TRP B 655 1.945 -9.674 -4.098 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.469 -8.791 -2.922 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 1.885 -9.305 -2.768 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.685 -8.870 -2.190 1.00 0.00 C ATOM 0 H TRP B 655 2.741 -10.740 -9.339 1.00 0.00 H new ATOM 0 HA TRP B 655 1.666 -8.459 -8.183 1.00 0.00 H new ATOM 0 HB2 TRP B 655 0.862 -10.878 -8.080 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.072 -11.158 -6.843 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -1.399 -9.743 -7.326 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.363 -8.913 -5.075 1.00 0.00 H new ATOM 0 HE3 TRP B 655 2.874 -10.011 -4.533 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.393 -8.454 -2.475 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 2.779 -9.353 -2.163 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.670 -8.592 -1.147 1.00 0.00 H new ATOM 2014 N GLN B 656 4.331 -9.592 -6.593 1.00 0.00 N ATOM 2015 CA GLN B 656 5.355 -9.228 -5.620 1.00 0.00 C ATOM 2016 C GLN B 656 5.956 -7.865 -5.947 1.00 0.00 C ATOM 2017 O GLN B 656 6.440 -7.160 -5.061 1.00 0.00 O ATOM 2018 CB GLN B 656 6.457 -10.288 -5.587 1.00 0.00 C ATOM 2019 CG GLN B 656 6.084 -11.527 -4.788 1.00 0.00 C ATOM 2020 CD GLN B 656 6.037 -11.267 -3.296 1.00 0.00 C ATOM 2021 OE1 GLN B 656 5.121 -10.612 -2.797 1.00 0.00 O ATOM 2022 NE2 GLN B 656 7.026 -11.779 -2.573 1.00 0.00 N ATOM 0 H GLN B 656 4.480 -10.494 -7.046 1.00 0.00 H new ATOM 0 HA GLN B 656 4.884 -9.172 -4.639 1.00 0.00 H new ATOM 0 HB2 GLN B 656 6.697 -10.583 -6.609 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.359 -9.849 -5.162 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.111 -11.890 -5.120 1.00 0.00 H new ATOM 0 HG3 GLN B 656 6.806 -12.318 -4.993 1.00 0.00 H new ATOM 0 HE21 GLN B 656 7.765 -12.315 -3.027 1.00 0.00 H new ATOM 0 HE22 GLN B 656 7.047 -11.636 -1.563 1.00 0.00 H new ATOM 2029 N ALA B 657 5.922 -7.499 -7.225 1.00 0.00 N ATOM 2030 CA ALA B 657 6.461 -6.219 -7.668 1.00 0.00 C ATOM 2031 C ALA B 657 5.395 -5.129 -7.622 1.00 0.00 C ATOM 2032 O ALA B 657 5.651 -4.018 -7.158 1.00 0.00 O ATOM 2033 CB ALA B 657 7.031 -6.345 -9.073 1.00 0.00 C ATOM 0 H ALA B 657 5.527 -8.071 -7.971 1.00 0.00 H new ATOM 0 HA ALA B 657 7.263 -5.934 -6.987 1.00 0.00 H new ATOM 0 HB1 ALA B 657 7.430 -5.382 -9.391 1.00 0.00 H new ATOM 0 HB2 ALA B 657 7.829 -7.088 -9.077 1.00 0.00 H new ATOM 0 HB3 ALA B 657 6.243 -6.656 -9.759 1.00 0.00 H new ATOM 2039 N GLN B 658 4.202 -5.455 -8.108 1.00 0.00 N ATOM 2040 CA GLN B 658 3.099 -4.501 -8.125 1.00 0.00 C ATOM 2041 C GLN B 658 2.790 -4.001 -6.716 1.00 0.00 C ATOM 2042 O GLN B 658 2.721 -2.796 -6.478 1.00 0.00 O ATOM 2043 CB GLN B 658 1.851 -5.143 -8.735 1.00 0.00 C ATOM 2044 CG GLN B 658 1.826 -5.100 -10.254 1.00 0.00 C ATOM 2045 CD GLN B 658 0.648 -5.854 -10.840 1.00 0.00 C ATOM 2046 OE1 GLN B 658 -0.475 -5.351 -10.864 1.00 0.00 O ATOM 2047 NE2 GLN B 658 0.900 -7.067 -11.317 1.00 0.00 N ATOM 0 H GLN B 658 3.974 -6.371 -8.495 1.00 0.00 H new ATOM 0 HA GLN B 658 3.398 -3.650 -8.737 1.00 0.00 H new ATOM 0 HB2 GLN B 658 1.790 -6.181 -8.408 1.00 0.00 H new ATOM 0 HB3 GLN B 658 0.966 -4.635 -8.351 1.00 0.00 H new ATOM 0 HG2 GLN B 658 1.788 -4.062 -10.584 1.00 0.00 H new ATOM 0 HG3 GLN B 658 2.753 -5.524 -10.641 1.00 0.00 H new ATOM 0 HE21 GLN B 658 1.847 -7.444 -11.276 1.00 0.00 H new ATOM 0 HE22 GLN B 658 0.147 -7.621 -11.724 1.00 0.00 H new ATOM 2054 N TRP B 659 2.608 -4.934 -5.790 1.00 0.00 N ATOM 2055 CA TRP B 659 2.307 -4.588 -4.406 1.00 0.00 C ATOM 2056 C TRP B 659 3.322 -3.589 -3.861 1.00 0.00 C ATOM 2057 O TRP B 659 2.963 -2.489 -3.445 1.00 0.00 O ATOM 2058 CB TRP B 659 2.292 -5.846 -3.535 1.00 0.00 C ATOM 2059 CG TRP B 659 1.870 -5.585 -2.121 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.688 -5.353 -1.051 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.529 -5.529 -1.622 1.00 0.00 C ATOM 2062 NE1 TRP B 659 1.934 -5.157 0.082 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.607 -5.260 -0.243 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -0.731 -5.679 -2.209 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.526 -5.139 0.558 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -1.855 -5.560 -1.413 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -1.746 -5.291 -0.043 1.00 0.00 C ATOM 0 H TRP B 659 2.663 -5.936 -5.972 1.00 0.00 H new ATOM 0 HA TRP B 659 1.320 -4.125 -4.380 1.00 0.00 H new ATOM 0 HB2 TRP B 659 1.617 -6.578 -3.979 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.288 -6.290 -3.533 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.767 -5.327 -1.090 1.00 0.00 H new ATOM 0 HE1 TRP B 659 2.303 -4.966 1.014 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -0.825 -5.884 -3.265 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.445 -4.933 1.615 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -2.833 -5.676 -1.855 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -2.643 -5.202 0.551 1.00 0.00 H new ATOM 2077 N ASN B 660 4.592 -3.981 -3.869 1.00 0.00 N ATOM 2078 CA ASN B 660 5.660 -3.119 -3.374 1.00 0.00 C ATOM 2079 C ASN B 660 5.676 -1.790 -4.123 1.00 0.00 C ATOM 2080 O ASN B 660 5.669 -0.722 -3.511 1.00 0.00 O ATOM 2081 CB ASN B 660 7.015 -3.816 -3.520 1.00 0.00 C ATOM 2082 CG ASN B 660 7.331 -4.718 -2.342 1.00 0.00 C ATOM 2083 OD1 ASN B 660 8.348 -4.548 -1.672 1.00 0.00 O ATOM 2084 ND2 ASN B 660 6.456 -5.684 -2.087 1.00 0.00 N ATOM 0 H ASN B 660 4.907 -4.889 -4.212 1.00 0.00 H new ATOM 0 HA ASN B 660 5.473 -2.919 -2.319 1.00 0.00 H new ATOM 0 HB2 ASN B 660 7.021 -4.405 -4.437 1.00 0.00 H new ATOM 0 HB3 ASN B 660 7.798 -3.065 -3.619 1.00 0.00 H new ATOM 0 HD21 ASN B 660 6.614 -6.323 -1.308 1.00 0.00 H new ATOM 0 HD22 ASN B 660 5.626 -5.787 -2.670 1.00 0.00 H new ATOM 2090 N GLN B 661 5.698 -1.864 -5.450 1.00 0.00 N ATOM 2091 CA GLN B 661 5.715 -0.666 -6.282 1.00 0.00 C ATOM 2092 C GLN B 661 4.575 0.274 -5.906 1.00 0.00 C ATOM 2093 O GLN B 661 4.698 1.492 -6.022 1.00 0.00 O ATOM 2094 CB GLN B 661 5.614 -1.045 -7.760 1.00 0.00 C ATOM 2095 CG GLN B 661 6.884 -1.666 -8.318 1.00 0.00 C ATOM 2096 CD GLN B 661 7.739 -0.666 -9.073 1.00 0.00 C ATOM 2097 OE1 GLN B 661 7.251 0.048 -9.950 1.00 0.00 O ATOM 2098 NE2 GLN B 661 9.022 -0.610 -8.736 1.00 0.00 N ATOM 0 H GLN B 661 5.704 -2.740 -5.972 1.00 0.00 H new ATOM 0 HA GLN B 661 6.659 -0.148 -6.111 1.00 0.00 H new ATOM 0 HB2 GLN B 661 4.789 -1.746 -7.891 1.00 0.00 H new ATOM 0 HB3 GLN B 661 5.371 -0.154 -8.339 1.00 0.00 H new ATOM 0 HG2 GLN B 661 7.466 -2.092 -7.500 1.00 0.00 H new ATOM 0 HG3 GLN B 661 6.620 -2.488 -8.983 1.00 0.00 H new ATOM 0 HE21 GLN B 661 9.384 -1.220 -8.003 1.00 0.00 H new ATOM 0 HE22 GLN B 661 9.646 0.043 -9.210 1.00 0.00 H new ATOM 2105 N ALA B 662 3.465 -0.301 -5.455 1.00 0.00 N ATOM 2106 CA ALA B 662 2.303 0.485 -5.061 1.00 0.00 C ATOM 2107 C ALA B 662 2.507 1.115 -3.686 1.00 0.00 C ATOM 2108 O ALA B 662 2.386 2.329 -3.527 1.00 0.00 O ATOM 2109 CB ALA B 662 1.052 -0.381 -5.066 1.00 0.00 C ATOM 0 H ALA B 662 3.346 -1.309 -5.353 1.00 0.00 H new ATOM 0 HA ALA B 662 2.177 1.289 -5.786 1.00 0.00 H new ATOM 0 HB1 ALA B 662 0.192 0.220 -4.770 1.00 0.00 H new ATOM 0 HB2 ALA B 662 0.889 -0.779 -6.068 1.00 0.00 H new ATOM 0 HB3 ALA B 662 1.177 -1.206 -4.364 1.00 0.00 H new ATOM 2115 N MET B 663 2.816 0.282 -2.699 1.00 0.00 N ATOM 2116 CA MET B 663 3.036 0.758 -1.338 1.00 0.00 C ATOM 2117 C MET B 663 4.083 1.868 -1.315 1.00 0.00 C ATOM 2118 O MET B 663 4.040 2.755 -0.462 1.00 0.00 O ATOM 2119 CB MET B 663 3.479 -0.396 -0.437 1.00 0.00 C ATOM 2120 CG MET B 663 2.337 -1.036 0.335 1.00 0.00 C ATOM 2121 SD MET B 663 1.984 -0.188 1.887 1.00 0.00 S ATOM 2122 CE MET B 663 0.269 -0.639 2.137 1.00 0.00 C ATOM 0 H MET B 663 2.920 -0.726 -2.815 1.00 0.00 H new ATOM 0 HA MET B 663 2.095 1.161 -0.963 1.00 0.00 H new ATOM 0 HB2 MET B 663 3.966 -1.157 -1.047 1.00 0.00 H new ATOM 0 HB3 MET B 663 4.224 -0.030 0.269 1.00 0.00 H new ATOM 0 HG2 MET B 663 1.441 -1.038 -0.285 1.00 0.00 H new ATOM 0 HG3 MET B 663 2.583 -2.077 0.543 1.00 0.00 H new ATOM 0 HE1 MET B 663 -0.333 0.264 2.242 1.00 0.00 H new ATOM 0 HE2 MET B 663 -0.085 -1.213 1.281 1.00 0.00 H new ATOM 0 HE3 MET B 663 0.179 -1.242 3.040 1.00 0.00 H new ATOM 2130 N GLU B 664 5.021 1.811 -2.254 1.00 0.00 N ATOM 2131 CA GLU B 664 6.079 2.812 -2.338 1.00 0.00 C ATOM 2132 C GLU B 664 5.492 4.210 -2.509 1.00 0.00 C ATOM 2133 O GLU B 664 5.769 5.111 -1.718 1.00 0.00 O ATOM 2134 CB GLU B 664 7.019 2.495 -3.503 1.00 0.00 C ATOM 2135 CG GLU B 664 8.013 3.605 -3.802 1.00 0.00 C ATOM 2136 CD GLU B 664 9.312 3.083 -4.385 1.00 0.00 C ATOM 2137 OE1 GLU B 664 9.799 2.036 -3.911 1.00 0.00 O ATOM 2138 OE2 GLU B 664 9.842 3.723 -5.318 1.00 0.00 O ATOM 0 H GLU B 664 5.071 1.083 -2.967 1.00 0.00 H new ATOM 0 HA GLU B 664 6.645 2.786 -1.407 1.00 0.00 H new ATOM 0 HB2 GLU B 664 7.566 1.579 -3.279 1.00 0.00 H new ATOM 0 HB3 GLU B 664 6.425 2.301 -4.396 1.00 0.00 H new ATOM 0 HG2 GLU B 664 7.564 4.312 -4.500 1.00 0.00 H new ATOM 0 HG3 GLU B 664 8.225 4.154 -2.885 1.00 0.00 H new ATOM 2143 N ASP B 665 4.682 4.382 -3.547 1.00 0.00 N ATOM 2144 CA ASP B 665 4.055 5.669 -3.824 1.00 0.00 C ATOM 2145 C ASP B 665 2.893 5.924 -2.869 1.00 0.00 C ATOM 2146 O ASP B 665 2.619 7.066 -2.498 1.00 0.00 O ATOM 2147 CB ASP B 665 3.564 5.722 -5.271 1.00 0.00 C ATOM 2148 CG ASP B 665 2.977 7.072 -5.634 1.00 0.00 C ATOM 2149 OD1 ASP B 665 1.815 7.333 -5.260 1.00 0.00 O ATOM 2150 OD2 ASP B 665 3.679 7.867 -6.294 1.00 0.00 O ATOM 0 H ASP B 665 4.444 3.646 -4.211 1.00 0.00 H new ATOM 0 HA ASP B 665 4.802 6.448 -3.675 1.00 0.00 H new ATOM 0 HB2 ASP B 665 4.394 5.498 -5.942 1.00 0.00 H new ATOM 0 HB3 ASP B 665 2.812 4.949 -5.425 1.00 0.00 H new ATOM 2154 N LEU B 666 2.212 4.853 -2.476 1.00 0.00 N ATOM 2155 CA LEU B 666 1.077 4.960 -1.565 1.00 0.00 C ATOM 2156 C LEU B 666 1.524 5.456 -0.194 1.00 0.00 C ATOM 2157 O LEU B 666 0.798 6.185 0.482 1.00 0.00 O ATOM 2158 CB LEU B 666 0.380 3.605 -1.427 1.00 0.00 C ATOM 2159 CG LEU B 666 -0.491 3.421 -0.184 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -1.864 2.895 -0.566 1.00 0.00 C ATOM 2161 CD2 LEU B 666 0.186 2.485 0.806 1.00 0.00 C ATOM 0 H LEU B 666 2.426 3.901 -2.774 1.00 0.00 H new ATOM 0 HA LEU B 666 0.375 5.683 -1.981 1.00 0.00 H new ATOM 0 HB2 LEU B 666 -0.242 3.448 -2.308 1.00 0.00 H new ATOM 0 HB3 LEU B 666 1.142 2.825 -1.431 1.00 0.00 H new ATOM 0 HG LEU B 666 -0.619 4.392 0.294 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -2.469 2.771 0.332 1.00 0.00 H new ATOM 0 HD12 LEU B 666 -2.351 3.603 -1.237 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -1.758 1.933 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -0.447 2.365 1.685 1.00 0.00 H new ATOM 0 HD22 LEU B 666 0.345 1.514 0.338 1.00 0.00 H new ATOM 0 HD23 LEU B 666 1.146 2.905 1.105 1.00 0.00 H new ATOM 2172 N VAL B 667 2.726 5.058 0.210 1.00 0.00 N ATOM 2173 CA VAL B 667 3.272 5.464 1.500 1.00 0.00 C ATOM 2174 C VAL B 667 3.628 6.947 1.502 1.00 0.00 C ATOM 2175 O VAL B 667 3.203 7.696 2.382 1.00 0.00 O ATOM 2176 CB VAL B 667 4.525 4.645 1.862 1.00 0.00 C ATOM 2177 CG1 VAL B 667 5.366 5.384 2.893 1.00 0.00 C ATOM 2178 CG2 VAL B 667 4.132 3.267 2.372 1.00 0.00 C ATOM 0 H VAL B 667 3.340 4.455 -0.337 1.00 0.00 H new ATOM 0 HA VAL B 667 2.499 5.278 2.245 1.00 0.00 H new ATOM 0 HB VAL B 667 5.126 4.516 0.962 1.00 0.00 H new ATOM 0 HG11 VAL B 667 6.247 4.790 3.137 1.00 0.00 H new ATOM 0 HG12 VAL B 667 5.678 6.346 2.486 1.00 0.00 H new ATOM 0 HG13 VAL B 667 4.776 5.546 3.795 1.00 0.00 H new ATOM 0 HG21 VAL B 667 5.030 2.702 2.623 1.00 0.00 H new ATOM 0 HG22 VAL B 667 3.509 3.372 3.260 1.00 0.00 H new ATOM 0 HG23 VAL B 667 3.575 2.738 1.599 1.00 0.00 H new ATOM 2188 N ARG B 668 4.412 7.364 0.513 1.00 0.00 N ATOM 2189 CA ARG B 668 4.826 8.757 0.401 1.00 0.00 C ATOM 2190 C ARG B 668 3.638 9.652 0.061 1.00 0.00 C ATOM 2191 O ARG B 668 3.600 10.820 0.444 1.00 0.00 O ATOM 2192 CB ARG B 668 5.911 8.904 -0.667 1.00 0.00 C ATOM 2193 CG ARG B 668 5.510 8.348 -2.023 1.00 0.00 C ATOM 2194 CD ARG B 668 6.706 8.239 -2.956 1.00 0.00 C ATOM 2195 NE ARG B 668 7.627 7.182 -2.544 1.00 0.00 N ATOM 2196 CZ ARG B 668 8.899 7.129 -2.920 1.00 0.00 C ATOM 2197 NH1 ARG B 668 9.400 8.067 -3.712 1.00 0.00 N ATOM 2198 NH2 ARG B 668 9.675 6.136 -2.503 1.00 0.00 N ATOM 0 H ARG B 668 4.773 6.756 -0.222 1.00 0.00 H new ATOM 0 HA ARG B 668 5.229 9.069 1.365 1.00 0.00 H new ATOM 0 HB2 ARG B 668 6.161 9.959 -0.776 1.00 0.00 H new ATOM 0 HB3 ARG B 668 6.814 8.396 -0.328 1.00 0.00 H new ATOM 0 HG2 ARG B 668 5.056 7.365 -1.895 1.00 0.00 H new ATOM 0 HG3 ARG B 668 4.754 8.992 -2.472 1.00 0.00 H new ATOM 0 HD2 ARG B 668 6.358 8.042 -3.970 1.00 0.00 H new ATOM 0 HD3 ARG B 668 7.235 9.192 -2.980 1.00 0.00 H new ATOM 0 HE ARG B 668 7.273 6.445 -1.934 1.00 0.00 H new ATOM 0 HH11 ARG B 668 8.808 8.832 -4.034 1.00 0.00 H new ATOM 0 HH12 ARG B 668 10.378 8.023 -3.999 1.00 0.00 H new ATOM 0 HH21 ARG B 668 9.294 5.413 -1.893 1.00 0.00 H new ATOM 0 HH22 ARG B 668 10.652 6.096 -2.793 1.00 0.00 H new ATOM 2209 N ALA B 669 2.670 9.094 -0.660 1.00 0.00 N ATOM 2210 CA ALA B 669 1.481 9.841 -1.050 1.00 0.00 C ATOM 2211 C ALA B 669 0.772 10.419 0.170 1.00 0.00 C ATOM 2212 O ALA B 669 0.211 11.514 0.112 1.00 0.00 O ATOM 2213 CB ALA B 669 0.535 8.950 -1.841 1.00 0.00 C ATOM 0 H ALA B 669 2.687 8.127 -0.985 1.00 0.00 H new ATOM 0 HA ALA B 669 1.794 10.672 -1.683 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -0.349 9.520 -2.126 1.00 0.00 H new ATOM 0 HB2 ALA B 669 1.039 8.590 -2.738 1.00 0.00 H new ATOM 0 HB3 ALA B 669 0.236 8.101 -1.227 1.00 0.00 H new ATOM 2219 N TYR B 670 0.799 9.677 1.270 1.00 0.00 N ATOM 2220 CA TYR B 670 0.155 10.114 2.503 1.00 0.00 C ATOM 2221 C TYR B 670 1.085 11.010 3.316 1.00 0.00 C ATOM 2222 O TYR B 670 0.719 12.122 3.698 1.00 0.00 O ATOM 2223 CB TYR B 670 -0.268 8.906 3.340 1.00 0.00 C ATOM 2224 CG TYR B 670 -1.088 9.268 4.557 1.00 0.00 C ATOM 2225 CD1 TYR B 670 -0.475 9.581 5.765 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -2.476 9.299 4.500 1.00 0.00 C ATOM 2227 CE1 TYR B 670 -1.220 9.912 6.880 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -3.230 9.630 5.610 1.00 0.00 C ATOM 2229 CZ TYR B 670 -2.597 9.935 6.797 1.00 0.00 C ATOM 2230 OH TYR B 670 -3.344 10.265 7.904 1.00 0.00 O ATOM 0 H TYR B 670 1.260 8.769 1.334 1.00 0.00 H new ATOM 0 HA TYR B 670 -0.731 10.689 2.235 1.00 0.00 H new ATOM 0 HB2 TYR B 670 -0.844 8.225 2.714 1.00 0.00 H new ATOM 0 HB3 TYR B 670 0.623 8.367 3.661 1.00 0.00 H new ATOM 0 HD1 TYR B 670 0.603 9.565 5.833 1.00 0.00 H new ATOM 0 HD2 TYR B 670 -2.974 9.060 3.572 1.00 0.00 H new ATOM 0 HE1 TYR B 670 -0.728 10.151 7.811 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -4.308 9.650 5.548 1.00 0.00 H new ATOM 0 HH TYR B 670 -4.237 9.869 7.826 1.00 0.00 H new ATOM 2239 N HIS B 671 2.292 10.516 3.577 1.00 0.00 N ATOM 2240 CA HIS B 671 3.278 11.271 4.342 1.00 0.00 C ATOM 2241 C HIS B 671 3.468 12.667 3.757 1.00 0.00 C ATOM 2242 O HIS B 671 3.509 13.656 4.488 1.00 0.00 O ATOM 2243 CB HIS B 671 4.614 10.529 4.365 1.00 0.00 C ATOM 2244 CG HIS B 671 5.709 11.287 5.050 1.00 0.00 C ATOM 2245 ND1 HIS B 671 5.649 11.664 6.375 1.00 0.00 N ATOM 2246 CD2 HIS B 671 6.898 11.739 4.585 1.00 0.00 C ATOM 2247 CE1 HIS B 671 6.753 12.315 6.696 1.00 0.00 C ATOM 2248 NE2 HIS B 671 7.528 12.374 5.628 1.00 0.00 N ATOM 0 H HIS B 671 2.610 9.597 3.270 1.00 0.00 H new ATOM 0 HA HIS B 671 2.909 11.372 5.363 1.00 0.00 H new ATOM 0 HB2 HIS B 671 4.479 9.570 4.866 1.00 0.00 H new ATOM 0 HB3 HIS B 671 4.918 10.314 3.341 1.00 0.00 H new ATOM 0 HD2 HIS B 671 7.280 11.622 3.582 1.00 0.00 H new ATOM 0 HE1 HIS B 671 6.983 12.729 7.667 1.00 0.00 H new ATOM 0 HE2 HIS B 671 8.445 12.819 5.585 1.00 0.00 H new ATOM 2255 N ALA B 672 3.583 12.738 2.436 1.00 0.00 N ATOM 2256 CA ALA B 672 3.768 14.013 1.753 1.00 0.00 C ATOM 2257 C ALA B 672 2.560 14.922 1.952 1.00 0.00 C ATOM 2258 O ALA B 672 2.705 16.102 2.270 1.00 0.00 O ATOM 2259 CB ALA B 672 4.021 13.786 0.270 1.00 0.00 C ATOM 0 H ALA B 672 3.551 11.928 1.817 1.00 0.00 H new ATOM 0 HA ALA B 672 4.637 14.507 2.187 1.00 0.00 H new ATOM 0 HB1 ALA B 672 4.157 14.746 -0.227 1.00 0.00 H new ATOM 0 HB2 ALA B 672 4.919 13.181 0.142 1.00 0.00 H new ATOM 0 HB3 ALA B 672 3.169 13.268 -0.169 1.00 0.00 H new ATOM 2265 N MET B 673 1.369 14.365 1.762 1.00 0.00 N ATOM 2266 CA MET B 673 0.135 15.127 1.921 1.00 0.00 C ATOM 2267 C MET B 673 0.046 15.732 3.319 1.00 0.00 C ATOM 2268 O MET B 673 -0.456 16.842 3.494 1.00 0.00 O ATOM 2269 CB MET B 673 -1.079 14.233 1.663 1.00 0.00 C ATOM 2270 CG MET B 673 -2.405 14.896 1.997 1.00 0.00 C ATOM 2271 SD MET B 673 -3.261 14.088 3.363 1.00 0.00 S ATOM 2272 CE MET B 673 -4.186 12.831 2.486 1.00 0.00 C ATOM 0 H MET B 673 1.232 13.389 1.498 1.00 0.00 H new ATOM 0 HA MET B 673 0.142 15.938 1.192 1.00 0.00 H new ATOM 0 HB2 MET B 673 -1.085 13.936 0.614 1.00 0.00 H new ATOM 0 HB3 MET B 673 -0.980 13.321 2.252 1.00 0.00 H new ATOM 0 HG2 MET B 673 -2.230 15.942 2.250 1.00 0.00 H new ATOM 0 HG3 MET B 673 -3.045 14.885 1.115 1.00 0.00 H new ATOM 0 HE1 MET B 673 -4.769 12.245 3.197 1.00 0.00 H new ATOM 0 HE2 MET B 673 -4.858 13.306 1.771 1.00 0.00 H new ATOM 0 HE3 MET B 673 -3.496 12.175 1.955 1.00 0.00 H new