USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 759 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 51 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 69 ASN : amide:sc= -0.22 K(o=-0.22,f=-0.93) USER MOD Single : A 19 LYS NZ :NH3+ -134:sc= 1.15 (180deg=0.3) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -126:sc= -0.0857 (180deg=-5.55!) USER MOD Single : A 26 MET CE :methyl -148:sc= -2.13 (180deg=-4.47!) USER MOD Single : A 27 SER OG : rot 42:sc= 0.412 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.675 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 157:sc= 0.00168 (180deg=0) USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.421 F(o=-1.6,f=-0.42) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0675 USER MOD Single : A 59 THR OG1 : rot -126:sc= 1.23 USER MOD Single : A 67 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0912) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0327 USER MOD Single : A 76 ASN : amide:sc= -0.0928 X(o=-0.093,f=0) USER MOD Single : A 78 GLN : amide:sc= -0.0503 X(o=-0.05,f=-0.31) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 48:sc= 0.106 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot -44:sc= 0.991 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 MET CE :methyl 164:sc= -1.52 (180deg=-1.86) USER MOD Single : A 104 ASN : amide:sc= -1.25 X(o=-1.3,f=-1.3) USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 255 N LYS A 19 12.294 -20.139 15.599 1.00 0.00 N ATOM 256 CA LYS A 19 11.289 -19.353 16.305 1.00 0.00 C ATOM 257 C LYS A 19 10.543 -18.433 15.344 1.00 0.00 C ATOM 258 O LYS A 19 10.981 -18.213 14.214 1.00 0.00 O ATOM 259 CB LYS A 19 11.944 -18.527 17.414 1.00 0.00 C ATOM 260 CG LYS A 19 11.957 -19.224 18.764 1.00 0.00 C ATOM 261 CD LYS A 19 13.021 -20.307 18.821 1.00 0.00 C ATOM 262 CE LYS A 19 13.827 -20.229 20.109 1.00 0.00 C ATOM 263 NZ LYS A 19 15.011 -21.132 20.077 1.00 0.00 N ATOM 0 HA LYS A 19 10.572 -20.043 16.750 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.969 -18.294 17.125 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.416 -17.578 17.509 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.139 -18.492 19.551 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.978 -19.663 18.957 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.549 -21.287 18.745 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.689 -20.207 17.966 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.157 -19.203 20.269 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.190 -20.495 20.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.070 -21.659 20.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.916 -21.801 19.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.875 -20.567 19.951 1.00 0.00 H new ATOM 277 N TYR A 20 9.416 -17.897 15.799 1.00 0.00 N ATOM 278 CA TYR A 20 8.610 -17.001 14.979 1.00 0.00 C ATOM 279 C TYR A 20 7.883 -15.976 15.845 1.00 0.00 C ATOM 280 O TYR A 20 7.551 -16.246 16.999 1.00 0.00 O ATOM 281 CB TYR A 20 7.597 -17.800 14.157 1.00 0.00 C ATOM 282 CG TYR A 20 6.218 -17.847 14.775 1.00 0.00 C ATOM 283 CD1 TYR A 20 5.911 -18.768 15.769 1.00 0.00 C ATOM 284 CD2 TYR A 20 5.222 -16.969 14.365 1.00 0.00 C ATOM 285 CE1 TYR A 20 4.652 -18.814 16.336 1.00 0.00 C ATOM 286 CE2 TYR A 20 3.961 -17.007 14.927 1.00 0.00 C ATOM 287 CZ TYR A 20 3.680 -17.932 15.911 1.00 0.00 C ATOM 288 OH TYR A 20 2.425 -17.974 16.474 1.00 0.00 O ATOM 0 H TYR A 20 9.040 -18.068 16.732 1.00 0.00 H new ATOM 0 HA TYR A 20 9.279 -16.470 14.302 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.525 -17.363 13.161 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.965 -18.818 14.033 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.670 -19.460 16.104 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.438 -16.244 13.594 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.430 -19.536 17.108 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.199 -16.316 14.598 1.00 0.00 H new ATOM 0 HH TYR A 20 1.859 -17.286 16.064 1.00 0.00 H new ATOM 298 N ILE A 21 7.640 -14.799 15.278 1.00 0.00 N ATOM 299 CA ILE A 21 6.951 -13.734 15.996 1.00 0.00 C ATOM 300 C ILE A 21 6.103 -12.892 15.049 1.00 0.00 C ATOM 301 O ILE A 21 5.676 -11.791 15.394 1.00 0.00 O ATOM 302 CB ILE A 21 7.946 -12.816 16.730 1.00 0.00 C ATOM 303 CG1 ILE A 21 8.938 -12.206 15.738 1.00 0.00 C ATOM 304 CG2 ILE A 21 8.680 -13.590 17.815 1.00 0.00 C ATOM 305 CD1 ILE A 21 9.768 -11.086 16.325 1.00 0.00 C ATOM 0 H ILE A 21 7.910 -14.559 14.324 1.00 0.00 H new ATOM 0 HA ILE A 21 6.303 -14.215 16.729 1.00 0.00 H new ATOM 0 HB ILE A 21 7.390 -12.006 17.203 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.604 -12.989 15.375 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.390 -11.828 14.875 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.380 -12.927 18.325 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.960 -13.980 18.534 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.227 -14.418 17.364 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.449 -10.701 15.566 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.111 -10.285 16.663 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.343 -11.464 17.170 1.00 0.00 H new ATOM 317 N GLY A 22 5.860 -13.419 13.853 1.00 0.00 N ATOM 318 CA GLY A 22 5.062 -12.703 12.875 1.00 0.00 C ATOM 319 C GLY A 22 5.518 -11.269 12.693 1.00 0.00 C ATOM 320 O GLY A 22 4.909 -10.344 13.231 1.00 0.00 O ATOM 0 H GLY A 22 6.202 -14.329 13.544 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.114 -13.222 11.918 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.017 -12.712 13.186 1.00 0.00 H new ATOM 324 N ILE A 23 6.592 -11.083 11.933 1.00 0.00 N ATOM 325 CA ILE A 23 7.129 -9.751 11.683 1.00 0.00 C ATOM 326 C ILE A 23 7.809 -9.680 10.320 1.00 0.00 C ATOM 327 O ILE A 23 8.506 -10.610 9.913 1.00 0.00 O ATOM 328 CB ILE A 23 8.138 -9.337 12.770 1.00 0.00 C ATOM 329 CG1 ILE A 23 9.354 -10.265 12.748 1.00 0.00 C ATOM 330 CG2 ILE A 23 7.477 -9.354 14.140 1.00 0.00 C ATOM 331 CD1 ILE A 23 10.596 -9.620 12.174 1.00 0.00 C ATOM 0 H ILE A 23 7.107 -11.838 11.480 1.00 0.00 H new ATOM 0 HA ILE A 23 6.285 -9.062 11.702 1.00 0.00 H new ATOM 0 HB ILE A 23 8.476 -8.321 12.564 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.564 -10.599 13.764 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.113 -11.153 12.164 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.203 -9.059 14.898 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.640 -8.656 14.149 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.114 -10.359 14.357 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.418 -10.336 12.190 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.404 -9.311 11.147 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.862 -8.748 12.771 1.00 0.00 H new ATOM 343 N ARG A 24 7.603 -8.569 9.619 1.00 0.00 N ATOM 344 CA ARG A 24 8.197 -8.376 8.302 1.00 0.00 C ATOM 345 C ARG A 24 9.181 -7.209 8.315 1.00 0.00 C ATOM 346 O ARG A 24 8.829 -6.093 8.695 1.00 0.00 O ATOM 347 CB ARG A 24 7.107 -8.126 7.259 1.00 0.00 C ATOM 348 CG ARG A 24 6.039 -9.208 7.223 1.00 0.00 C ATOM 349 CD ARG A 24 5.259 -9.177 5.917 1.00 0.00 C ATOM 350 NE ARG A 24 4.477 -10.394 5.719 1.00 0.00 N ATOM 351 CZ ARG A 24 5.012 -11.572 5.418 1.00 0.00 C ATOM 352 NH1 ARG A 24 6.326 -11.691 5.282 1.00 0.00 N ATOM 353 NH2 ARG A 24 4.234 -12.633 5.253 1.00 0.00 N ATOM 0 H ARG A 24 7.029 -7.790 9.942 1.00 0.00 H new ATOM 0 HA ARG A 24 8.740 -9.284 8.039 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.633 -7.166 7.464 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.569 -8.050 6.274 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.505 -10.185 7.347 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.354 -9.073 8.060 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.594 -8.314 5.912 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.951 -9.051 5.084 1.00 0.00 H new ATOM 0 HE ARG A 24 3.463 -10.336 5.817 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.928 -10.877 5.409 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.735 -12.596 5.051 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.223 -12.545 5.357 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.646 -13.537 5.022 1.00 0.00 H new ATOM 367 N MET A 25 10.414 -7.477 7.898 1.00 0.00 N ATOM 368 CA MET A 25 11.448 -6.449 7.861 1.00 0.00 C ATOM 369 C MET A 25 12.247 -6.529 6.564 1.00 0.00 C ATOM 370 O MET A 25 12.260 -7.561 5.894 1.00 0.00 O ATOM 371 CB MET A 25 12.385 -6.594 9.061 1.00 0.00 C ATOM 372 CG MET A 25 11.657 -6.829 10.375 1.00 0.00 C ATOM 373 SD MET A 25 12.766 -6.810 11.797 1.00 0.00 S ATOM 374 CE MET A 25 13.650 -8.349 11.557 1.00 0.00 C ATOM 0 H MET A 25 10.721 -8.396 7.581 1.00 0.00 H new ATOM 0 HA MET A 25 10.960 -5.476 7.907 1.00 0.00 H new ATOM 0 HB2 MET A 25 13.068 -7.424 8.880 1.00 0.00 H new ATOM 0 HB3 MET A 25 12.993 -5.694 9.148 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.893 -6.062 10.505 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.142 -7.789 10.334 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.578 -8.955 12.460 1.00 0.00 H new ATOM 0 HE2 MET A 25 13.213 -8.893 10.720 1.00 0.00 H new ATOM 0 HE3 MET A 25 14.698 -8.137 11.345 1.00 0.00 H new ATOM 384 N MET A 26 12.914 -5.432 6.217 1.00 0.00 N ATOM 385 CA MET A 26 13.717 -5.380 5.000 1.00 0.00 C ATOM 386 C MET A 26 15.120 -4.861 5.298 1.00 0.00 C ATOM 387 O MET A 26 15.299 -3.965 6.123 1.00 0.00 O ATOM 388 CB MET A 26 13.041 -4.489 3.956 1.00 0.00 C ATOM 389 CG MET A 26 12.926 -3.035 4.381 1.00 0.00 C ATOM 390 SD MET A 26 13.820 -1.918 3.284 1.00 0.00 S ATOM 391 CE MET A 26 13.156 -0.335 3.797 1.00 0.00 C ATOM 0 H MET A 26 12.914 -4.569 6.760 1.00 0.00 H new ATOM 0 HA MET A 26 13.800 -6.392 4.604 1.00 0.00 H new ATOM 0 HB2 MET A 26 13.604 -4.543 3.024 1.00 0.00 H new ATOM 0 HB3 MET A 26 12.044 -4.878 3.749 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.874 -2.750 4.405 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.309 -2.926 5.395 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.127 0.341 2.943 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.147 -0.472 4.186 1.00 0.00 H new ATOM 0 HE3 MET A 26 13.790 0.090 4.575 1.00 0.00 H new ATOM 401 N SER A 27 16.112 -5.429 4.620 1.00 0.00 N ATOM 402 CA SER A 27 17.500 -5.025 4.814 1.00 0.00 C ATOM 403 C SER A 27 17.651 -3.514 4.673 1.00 0.00 C ATOM 404 O SER A 27 17.550 -2.968 3.574 1.00 0.00 O ATOM 405 CB SER A 27 18.406 -5.736 3.807 1.00 0.00 C ATOM 406 OG SER A 27 17.953 -5.530 2.480 1.00 0.00 O ATOM 0 H SER A 27 15.981 -6.170 3.932 1.00 0.00 H new ATOM 0 HA SER A 27 17.797 -5.309 5.823 1.00 0.00 H new ATOM 0 HB2 SER A 27 19.427 -5.367 3.908 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.430 -6.804 4.025 1.00 0.00 H new ATOM 0 HG SER A 27 17.671 -4.598 2.372 1.00 0.00 H new ATOM 412 N LEU A 28 17.894 -2.843 5.794 1.00 0.00 N ATOM 413 CA LEU A 28 18.060 -1.394 5.797 1.00 0.00 C ATOM 414 C LEU A 28 19.422 -1.000 5.233 1.00 0.00 C ATOM 415 O LEU A 28 20.452 -1.547 5.628 1.00 0.00 O ATOM 416 CB LEU A 28 17.906 -0.846 7.217 1.00 0.00 C ATOM 417 CG LEU A 28 16.823 0.215 7.414 1.00 0.00 C ATOM 418 CD1 LEU A 28 16.820 0.714 8.850 1.00 0.00 C ATOM 419 CD2 LEU A 28 17.026 1.371 6.446 1.00 0.00 C ATOM 0 H LEU A 28 17.980 -3.279 6.712 1.00 0.00 H new ATOM 0 HA LEU A 28 17.286 -0.964 5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.695 -1.680 7.886 1.00 0.00 H new ATOM 0 HB3 LEU A 28 18.861 -0.423 7.527 1.00 0.00 H new ATOM 0 HG LEU A 28 15.854 -0.240 7.207 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.043 1.469 8.971 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.625 -0.120 9.524 1.00 0.00 H new ATOM 0 HD13 LEU A 28 17.790 1.151 9.085 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.246 2.116 6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.001 1.825 6.621 1.00 0.00 H new ATOM 0 HD23 LEU A 28 16.976 1.001 5.422 1.00 0.00 H new ATOM 431 N THR A 29 19.419 -0.045 4.308 1.00 0.00 N ATOM 432 CA THR A 29 20.654 0.423 3.690 1.00 0.00 C ATOM 433 C THR A 29 20.929 1.879 4.047 1.00 0.00 C ATOM 434 O THR A 29 20.008 2.640 4.343 1.00 0.00 O ATOM 435 CB THR A 29 20.603 0.283 2.157 1.00 0.00 C ATOM 436 OG1 THR A 29 19.648 1.201 1.612 1.00 0.00 O ATOM 437 CG2 THR A 29 20.234 -1.138 1.755 1.00 0.00 C ATOM 0 H THR A 29 18.576 0.419 3.970 1.00 0.00 H new ATOM 0 HA THR A 29 21.459 -0.202 4.078 1.00 0.00 H new ATOM 0 HB THR A 29 21.593 0.511 1.761 1.00 0.00 H new ATOM 0 HG1 THR A 29 19.623 1.107 0.637 1.00 0.00 H new ATOM 0 HG21 THR A 29 20.204 -1.212 0.668 1.00 0.00 H new ATOM 0 HG22 THR A 29 20.978 -1.832 2.146 1.00 0.00 H new ATOM 0 HG23 THR A 29 19.255 -1.389 2.163 1.00 0.00 H new ATOM 445 N SER A 30 22.202 2.260 4.016 1.00 0.00 N ATOM 446 CA SER A 30 22.599 3.626 4.340 1.00 0.00 C ATOM 447 C SER A 30 21.824 4.631 3.494 1.00 0.00 C ATOM 448 O SER A 30 21.596 5.766 3.914 1.00 0.00 O ATOM 449 CB SER A 30 24.102 3.808 4.119 1.00 0.00 C ATOM 450 OG SER A 30 24.702 4.468 5.220 1.00 0.00 O ATOM 0 H SER A 30 22.976 1.643 3.770 1.00 0.00 H new ATOM 0 HA SER A 30 22.369 3.807 5.390 1.00 0.00 H new ATOM 0 HB2 SER A 30 24.572 2.835 3.974 1.00 0.00 H new ATOM 0 HB3 SER A 30 24.272 4.383 3.209 1.00 0.00 H new ATOM 0 HG SER A 30 25.663 4.571 5.056 1.00 0.00 H new ATOM 456 N SER A 31 21.421 4.206 2.301 1.00 0.00 N ATOM 457 CA SER A 31 20.675 5.070 1.394 1.00 0.00 C ATOM 458 C SER A 31 19.193 5.088 1.757 1.00 0.00 C ATOM 459 O SER A 31 18.569 6.148 1.817 1.00 0.00 O ATOM 460 CB SER A 31 20.852 4.601 -0.052 1.00 0.00 C ATOM 461 OG SER A 31 22.199 4.246 -0.312 1.00 0.00 O ATOM 0 H SER A 31 21.599 3.269 1.940 1.00 0.00 H new ATOM 0 HA SER A 31 21.067 6.082 1.491 1.00 0.00 H new ATOM 0 HB2 SER A 31 20.204 3.745 -0.242 1.00 0.00 H new ATOM 0 HB3 SER A 31 20.543 5.393 -0.735 1.00 0.00 H new ATOM 0 HG SER A 31 22.285 3.948 -1.242 1.00 0.00 H new ATOM 467 N LYS A 32 18.635 3.907 1.998 1.00 0.00 N ATOM 468 CA LYS A 32 17.227 3.784 2.357 1.00 0.00 C ATOM 469 C LYS A 32 16.940 4.485 3.681 1.00 0.00 C ATOM 470 O LYS A 32 15.894 5.111 3.848 1.00 0.00 O ATOM 471 CB LYS A 32 16.831 2.309 2.452 1.00 0.00 C ATOM 472 CG LYS A 32 15.350 2.092 2.712 1.00 0.00 C ATOM 473 CD LYS A 32 14.509 2.495 1.513 1.00 0.00 C ATOM 474 CE LYS A 32 13.046 2.669 1.891 1.00 0.00 C ATOM 475 NZ LYS A 32 12.470 3.918 1.320 1.00 0.00 N ATOM 0 H LYS A 32 19.137 3.020 1.951 1.00 0.00 H new ATOM 0 HA LYS A 32 16.635 4.263 1.577 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.106 1.807 1.524 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.404 1.838 3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.171 1.043 2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.044 2.671 3.583 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.891 3.427 1.096 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.597 1.737 0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.475 1.811 1.537 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.951 2.689 2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.472 4.000 1.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.999 4.739 1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.537 3.888 0.283 1.00 0.00 H new ATOM 489 N ALA A 33 17.876 4.376 4.618 1.00 0.00 N ATOM 490 CA ALA A 33 17.724 5.002 5.926 1.00 0.00 C ATOM 491 C ALA A 33 17.827 6.520 5.823 1.00 0.00 C ATOM 492 O ALA A 33 17.008 7.248 6.384 1.00 0.00 O ATOM 493 CB ALA A 33 18.769 4.465 6.893 1.00 0.00 C ATOM 0 H ALA A 33 18.747 3.860 4.496 1.00 0.00 H new ATOM 0 HA ALA A 33 16.733 4.756 6.306 1.00 0.00 H new ATOM 0 HB1 ALA A 33 18.644 4.941 7.865 1.00 0.00 H new ATOM 0 HB2 ALA A 33 18.647 3.387 6.998 1.00 0.00 H new ATOM 0 HB3 ALA A 33 19.766 4.682 6.509 1.00 0.00 H new ATOM 499 N LYS A 34 18.839 6.992 5.103 1.00 0.00 N ATOM 500 CA LYS A 34 19.050 8.424 4.925 1.00 0.00 C ATOM 501 C LYS A 34 17.840 9.073 4.261 1.00 0.00 C ATOM 502 O LYS A 34 17.578 10.260 4.454 1.00 0.00 O ATOM 503 CB LYS A 34 20.303 8.675 4.083 1.00 0.00 C ATOM 504 CG LYS A 34 21.518 9.068 4.904 1.00 0.00 C ATOM 505 CD LYS A 34 22.652 9.561 4.021 1.00 0.00 C ATOM 506 CE LYS A 34 23.657 8.455 3.735 1.00 0.00 C ATOM 507 NZ LYS A 34 24.645 8.859 2.696 1.00 0.00 N ATOM 0 H LYS A 34 19.527 6.403 4.633 1.00 0.00 H new ATOM 0 HA LYS A 34 19.186 8.871 5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.535 7.774 3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.093 9.463 3.360 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.242 9.849 5.613 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.856 8.212 5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 34 22.246 9.937 3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.157 10.396 4.507 1.00 0.00 H new ATOM 0 HE2 LYS A 34 24.182 8.195 4.654 1.00 0.00 H new ATOM 0 HE3 LYS A 34 23.129 7.560 3.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 25.312 8.079 2.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 24.146 9.083 1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 25.167 9.698 3.021 1.00 0.00 H new ATOM 521 N GLU A 35 17.105 8.287 3.480 1.00 0.00 N ATOM 522 CA GLU A 35 15.923 8.788 2.789 1.00 0.00 C ATOM 523 C GLU A 35 14.664 8.538 3.614 1.00 0.00 C ATOM 524 O GLU A 35 13.671 9.254 3.485 1.00 0.00 O ATOM 525 CB GLU A 35 15.787 8.123 1.417 1.00 0.00 C ATOM 526 CG GLU A 35 16.948 8.416 0.482 1.00 0.00 C ATOM 527 CD GLU A 35 16.902 9.823 -0.081 1.00 0.00 C ATOM 528 OE1 GLU A 35 17.424 10.744 0.582 1.00 0.00 O ATOM 529 OE2 GLU A 35 16.345 10.004 -1.184 1.00 0.00 O ATOM 0 H GLU A 35 17.307 7.302 3.310 1.00 0.00 H new ATOM 0 HA GLU A 35 16.041 9.863 2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.703 7.045 1.552 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.861 8.459 0.950 1.00 0.00 H new ATOM 0 HG2 GLU A 35 17.886 8.274 1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 35 16.938 7.699 -0.339 1.00 0.00 H new ATOM 536 N LEU A 36 14.713 7.516 4.462 1.00 0.00 N ATOM 537 CA LEU A 36 13.577 7.170 5.309 1.00 0.00 C ATOM 538 C LEU A 36 13.289 8.280 6.315 1.00 0.00 C ATOM 539 O LEU A 36 12.138 8.516 6.683 1.00 0.00 O ATOM 540 CB LEU A 36 13.846 5.856 6.046 1.00 0.00 C ATOM 541 CG LEU A 36 13.378 4.583 5.340 1.00 0.00 C ATOM 542 CD1 LEU A 36 14.008 3.356 5.981 1.00 0.00 C ATOM 543 CD2 LEU A 36 11.860 4.483 5.371 1.00 0.00 C ATOM 0 H LEU A 36 15.527 6.913 4.581 1.00 0.00 H new ATOM 0 HA LEU A 36 12.703 7.049 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 36 14.918 5.775 6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.363 5.905 7.022 1.00 0.00 H new ATOM 0 HG LEU A 36 13.698 4.629 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.664 2.459 5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.093 3.423 5.906 1.00 0.00 H new ATOM 0 HD13 LEU A 36 13.719 3.305 7.031 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.545 3.571 4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.518 4.460 6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.428 5.347 4.866 1.00 0.00 H new ATOM 555 N LYS A 37 14.342 8.960 6.754 1.00 0.00 N ATOM 556 CA LYS A 37 14.203 10.049 7.715 1.00 0.00 C ATOM 557 C LYS A 37 13.683 11.312 7.035 1.00 0.00 C ATOM 558 O LYS A 37 12.661 11.868 7.436 1.00 0.00 O ATOM 559 CB LYS A 37 15.547 10.336 8.389 1.00 0.00 C ATOM 560 CG LYS A 37 15.415 10.857 9.809 1.00 0.00 C ATOM 561 CD LYS A 37 16.749 10.833 10.538 1.00 0.00 C ATOM 562 CE LYS A 37 16.788 11.856 11.662 1.00 0.00 C ATOM 563 NZ LYS A 37 18.044 12.657 11.640 1.00 0.00 N ATOM 0 H LYS A 37 15.301 8.777 6.460 1.00 0.00 H new ATOM 0 HA LYS A 37 13.482 9.742 8.472 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.141 9.422 8.400 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.095 11.065 7.793 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.028 11.876 9.789 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.691 10.252 10.354 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.925 9.837 10.945 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.554 11.036 9.832 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.930 12.523 11.576 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.700 11.345 12.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.888 13.561 12.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.801 12.129 12.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.321 12.841 10.655 1.00 0.00 H new ATOM 577 N ASP A 38 14.392 11.757 6.003 1.00 0.00 N ATOM 578 CA ASP A 38 14.001 12.953 5.266 1.00 0.00 C ATOM 579 C ASP A 38 12.572 12.827 4.746 1.00 0.00 C ATOM 580 O ASP A 38 11.888 13.828 4.534 1.00 0.00 O ATOM 581 CB ASP A 38 14.962 13.197 4.101 1.00 0.00 C ATOM 582 CG ASP A 38 15.308 14.663 3.934 1.00 0.00 C ATOM 583 OD1 ASP A 38 16.269 15.124 4.585 1.00 0.00 O ATOM 584 OD2 ASP A 38 14.619 15.349 3.150 1.00 0.00 O ATOM 0 H ASP A 38 15.240 11.307 5.658 1.00 0.00 H new ATOM 0 HA ASP A 38 14.047 13.802 5.948 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.877 12.627 4.263 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.513 12.825 3.180 1.00 0.00 H new ATOM 589 N ARG A 39 12.129 11.591 4.541 1.00 0.00 N ATOM 590 CA ARG A 39 10.783 11.334 4.043 1.00 0.00 C ATOM 591 C ARG A 39 9.810 11.113 5.197 1.00 0.00 C ATOM 592 O ARG A 39 8.632 11.461 5.105 1.00 0.00 O ATOM 593 CB ARG A 39 10.782 10.115 3.119 1.00 0.00 C ATOM 594 CG ARG A 39 11.377 10.389 1.748 1.00 0.00 C ATOM 595 CD ARG A 39 11.545 9.107 0.947 1.00 0.00 C ATOM 596 NE ARG A 39 11.145 9.276 -0.447 1.00 0.00 N ATOM 597 CZ ARG A 39 9.881 9.268 -0.855 1.00 0.00 C ATOM 598 NH1 ARG A 39 8.900 9.100 0.020 1.00 0.00 N ATOM 599 NH2 ARG A 39 9.597 9.428 -2.142 1.00 0.00 N ATOM 0 H ARG A 39 12.683 10.752 4.712 1.00 0.00 H new ATOM 0 HA ARG A 39 10.458 12.208 3.479 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.342 9.309 3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.758 9.763 2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.733 11.079 1.202 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.345 10.878 1.861 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.586 8.787 0.989 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.950 8.315 1.401 1.00 0.00 H new ATOM 0 HE ARG A 39 11.876 9.407 -1.146 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.115 8.976 1.009 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.930 9.094 -0.296 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.350 9.557 -2.818 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.626 9.422 -2.455 1.00 0.00 H new ATOM 613 N HIS A 40 10.310 10.530 6.282 1.00 0.00 N ATOM 614 CA HIS A 40 9.484 10.262 7.454 1.00 0.00 C ATOM 615 C HIS A 40 10.061 10.943 8.692 1.00 0.00 C ATOM 616 O HIS A 40 10.950 10.405 9.351 1.00 0.00 O ATOM 617 CB HIS A 40 9.374 8.756 7.693 1.00 0.00 C ATOM 618 CG HIS A 40 9.050 7.976 6.455 1.00 0.00 C ATOM 619 ND1 HIS A 40 9.791 7.094 5.745 1.00 0.00 N flip ATOM 620 CD2 HIS A 40 7.835 8.061 5.809 1.00 0.00 C flip ATOM 621 CE1 HIS A 40 9.018 6.665 4.694 1.00 0.00 C flip ATOM 622 NE2 HIS A 40 7.842 7.264 4.756 1.00 0.00 N flip ATOM 0 H HIS A 40 11.282 10.234 6.374 1.00 0.00 H new ATOM 0 HA HIS A 40 8.489 10.667 7.267 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.315 8.392 8.106 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.604 8.570 8.442 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.007 8.682 6.116 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.322 5.954 3.940 1.00 0.00 H new ATOM 0 HE2 HIS A 40 7.071 7.133 4.102 1.00 0.00 H new ATOM 630 N ARG A 41 9.548 12.130 9.000 1.00 0.00 N ATOM 631 CA ARG A 41 10.014 12.886 10.157 1.00 0.00 C ATOM 632 C ARG A 41 9.891 12.058 11.433 1.00 0.00 C ATOM 633 O ARG A 41 10.620 12.278 12.400 1.00 0.00 O ATOM 634 CB ARG A 41 9.215 14.183 10.300 1.00 0.00 C ATOM 635 CG ARG A 41 9.544 14.964 11.562 1.00 0.00 C ATOM 636 CD ARG A 41 8.566 14.648 12.683 1.00 0.00 C ATOM 637 NE ARG A 41 8.425 15.763 13.617 1.00 0.00 N ATOM 638 CZ ARG A 41 7.498 15.812 14.567 1.00 0.00 C ATOM 639 NH1 ARG A 41 6.635 14.816 14.709 1.00 0.00 N ATOM 640 NH2 ARG A 41 7.434 16.861 15.378 1.00 0.00 N ATOM 0 H ARG A 41 8.810 12.589 8.465 1.00 0.00 H new ATOM 0 HA ARG A 41 11.065 13.129 10.002 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.405 14.814 9.432 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.151 13.947 10.296 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.558 14.727 11.884 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.520 16.032 11.347 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.592 14.406 12.257 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.906 13.764 13.222 1.00 0.00 H new ATOM 0 HE ARG A 41 9.074 16.546 13.535 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.681 14.008 14.088 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.924 14.857 15.440 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.097 17.629 15.272 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.722 16.899 16.108 1.00 0.00 H new ATOM 654 N ASP A 42 8.966 11.105 11.427 1.00 0.00 N ATOM 655 CA ASP A 42 8.748 10.243 12.583 1.00 0.00 C ATOM 656 C ASP A 42 9.980 9.388 12.862 1.00 0.00 C ATOM 657 O ASP A 42 10.279 9.069 14.013 1.00 0.00 O ATOM 658 CB ASP A 42 7.531 9.346 12.355 1.00 0.00 C ATOM 659 CG ASP A 42 6.875 8.918 13.653 1.00 0.00 C ATOM 660 OD1 ASP A 42 6.585 9.799 14.490 1.00 0.00 O ATOM 661 OD2 ASP A 42 6.652 7.703 13.833 1.00 0.00 O ATOM 0 H ASP A 42 8.355 10.910 10.634 1.00 0.00 H new ATOM 0 HA ASP A 42 8.564 10.878 13.450 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.803 9.876 11.741 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.835 8.461 11.796 1.00 0.00 H new ATOM 666 N PHE A 43 10.691 9.019 11.802 1.00 0.00 N ATOM 667 CA PHE A 43 11.890 8.199 11.933 1.00 0.00 C ATOM 668 C PHE A 43 12.855 8.805 12.948 1.00 0.00 C ATOM 669 O PHE A 43 13.054 10.018 13.006 1.00 0.00 O ATOM 670 CB PHE A 43 12.584 8.052 10.577 1.00 0.00 C ATOM 671 CG PHE A 43 13.048 6.653 10.290 1.00 0.00 C ATOM 672 CD1 PHE A 43 12.142 5.668 9.934 1.00 0.00 C ATOM 673 CD2 PHE A 43 14.391 6.323 10.375 1.00 0.00 C ATOM 674 CE1 PHE A 43 12.566 4.379 9.669 1.00 0.00 C ATOM 675 CE2 PHE A 43 14.822 5.037 10.111 1.00 0.00 C ATOM 676 CZ PHE A 43 13.908 4.064 9.757 1.00 0.00 C ATOM 0 H PHE A 43 10.458 9.275 10.842 1.00 0.00 H new ATOM 0 HA PHE A 43 11.589 7.213 12.288 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.898 8.367 9.791 1.00 0.00 H new ATOM 0 HB3 PHE A 43 13.441 8.725 10.541 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.092 5.910 9.863 1.00 0.00 H new ATOM 0 HD2 PHE A 43 15.110 7.080 10.651 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.849 3.620 9.394 1.00 0.00 H new ATOM 0 HE2 PHE A 43 15.872 4.793 10.181 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.242 3.058 9.549 1.00 0.00 H new ATOM 686 N PRO A 44 13.469 7.940 13.769 1.00 0.00 N ATOM 687 CA PRO A 44 14.423 8.366 14.797 1.00 0.00 C ATOM 688 C PRO A 44 15.730 8.877 14.199 1.00 0.00 C ATOM 689 O PRO A 44 15.835 9.072 12.988 1.00 0.00 O ATOM 690 CB PRO A 44 14.669 7.089 15.604 1.00 0.00 C ATOM 691 CG PRO A 44 14.376 5.979 14.655 1.00 0.00 C ATOM 692 CD PRO A 44 13.279 6.480 13.757 1.00 0.00 C ATOM 0 HA PRO A 44 14.038 9.195 15.391 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.696 7.040 15.965 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.021 7.043 16.479 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.262 5.715 14.078 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.064 5.081 15.189 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.366 6.072 12.750 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.294 6.200 14.131 1.00 0.00 H new ATOM 700 N ASP A 45 16.723 9.092 15.055 1.00 0.00 N ATOM 701 CA ASP A 45 18.023 9.579 14.611 1.00 0.00 C ATOM 702 C ASP A 45 18.982 8.419 14.363 1.00 0.00 C ATOM 703 O ASP A 45 20.149 8.470 14.752 1.00 0.00 O ATOM 704 CB ASP A 45 18.616 10.534 15.649 1.00 0.00 C ATOM 705 CG ASP A 45 19.802 11.309 15.111 1.00 0.00 C ATOM 706 OD1 ASP A 45 20.072 11.214 13.895 1.00 0.00 O ATOM 707 OD2 ASP A 45 20.461 12.012 15.906 1.00 0.00 O ATOM 0 H ASP A 45 16.652 8.937 16.061 1.00 0.00 H new ATOM 0 HA ASP A 45 17.881 10.117 13.673 1.00 0.00 H new ATOM 0 HB2 ASP A 45 17.847 11.233 15.976 1.00 0.00 H new ATOM 0 HB3 ASP A 45 18.925 9.966 16.527 1.00 0.00 H new ATOM 712 N VAL A 46 18.482 7.372 13.714 1.00 0.00 N ATOM 713 CA VAL A 46 19.294 6.199 13.414 1.00 0.00 C ATOM 714 C VAL A 46 19.166 5.802 11.947 1.00 0.00 C ATOM 715 O VAL A 46 18.212 6.187 11.271 1.00 0.00 O ATOM 716 CB VAL A 46 18.895 5.000 14.295 1.00 0.00 C ATOM 717 CG1 VAL A 46 18.937 5.382 15.767 1.00 0.00 C ATOM 718 CG2 VAL A 46 17.516 4.489 13.907 1.00 0.00 C ATOM 0 H VAL A 46 17.518 7.312 13.386 1.00 0.00 H new ATOM 0 HA VAL A 46 20.329 6.468 13.626 1.00 0.00 H new ATOM 0 HB VAL A 46 19.613 4.197 14.132 1.00 0.00 H new ATOM 0 HG11 VAL A 46 18.652 4.523 16.374 1.00 0.00 H new ATOM 0 HG12 VAL A 46 19.946 5.696 16.033 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.242 6.202 15.950 1.00 0.00 H new ATOM 0 HG21 VAL A 46 17.251 3.642 14.540 1.00 0.00 H new ATOM 0 HG22 VAL A 46 16.783 5.285 14.039 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.525 4.174 12.864 1.00 0.00 H new ATOM 728 N ILE A 47 20.132 5.030 11.463 1.00 0.00 N ATOM 729 CA ILE A 47 20.126 4.579 10.076 1.00 0.00 C ATOM 730 C ILE A 47 20.873 3.258 9.925 1.00 0.00 C ATOM 731 O ILE A 47 21.445 2.974 8.872 1.00 0.00 O ATOM 732 CB ILE A 47 20.762 5.626 9.142 1.00 0.00 C ATOM 733 CG1 ILE A 47 22.097 6.107 9.713 1.00 0.00 C ATOM 734 CG2 ILE A 47 19.814 6.798 8.936 1.00 0.00 C ATOM 735 CD1 ILE A 47 23.028 6.684 8.669 1.00 0.00 C ATOM 0 H ILE A 47 20.929 4.703 12.010 1.00 0.00 H new ATOM 0 HA ILE A 47 19.083 4.438 9.793 1.00 0.00 H new ATOM 0 HB ILE A 47 20.949 5.161 8.174 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.906 6.863 10.475 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.593 5.272 10.209 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.278 7.529 8.274 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.886 6.441 8.489 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.598 7.265 9.897 1.00 0.00 H new ATOM 0 HD11 ILE A 47 23.955 7.005 9.145 1.00 0.00 H new ATOM 0 HD12 ILE A 47 23.249 5.924 7.919 1.00 0.00 H new ATOM 0 HD13 ILE A 47 22.552 7.539 8.190 1.00 0.00 H new ATOM 747 N SER A 48 20.861 2.453 10.982 1.00 0.00 N ATOM 748 CA SER A 48 21.539 1.162 10.968 1.00 0.00 C ATOM 749 C SER A 48 20.858 0.180 11.916 1.00 0.00 C ATOM 750 O SER A 48 20.914 0.336 13.135 1.00 0.00 O ATOM 751 CB SER A 48 23.009 1.330 11.358 1.00 0.00 C ATOM 752 OG SER A 48 23.657 2.268 10.517 1.00 0.00 O ATOM 0 H SER A 48 20.389 2.672 11.859 1.00 0.00 H new ATOM 0 HA SER A 48 21.483 0.761 9.956 1.00 0.00 H new ATOM 0 HB2 SER A 48 23.078 1.659 12.395 1.00 0.00 H new ATOM 0 HB3 SER A 48 23.517 0.368 11.294 1.00 0.00 H new ATOM 0 HG SER A 48 24.594 2.358 10.788 1.00 0.00 H new ATOM 758 N GLY A 49 20.213 -0.833 11.345 1.00 0.00 N ATOM 759 CA GLY A 49 19.529 -1.826 12.153 1.00 0.00 C ATOM 760 C GLY A 49 18.488 -2.597 11.365 1.00 0.00 C ATOM 761 O GLY A 49 18.688 -2.897 10.188 1.00 0.00 O ATOM 0 H GLY A 49 20.152 -0.984 10.338 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.260 -2.523 12.563 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.049 -1.334 12.999 1.00 0.00 H new ATOM 765 N ALA A 50 17.376 -2.921 12.016 1.00 0.00 N ATOM 766 CA ALA A 50 16.300 -3.662 11.369 1.00 0.00 C ATOM 767 C ALA A 50 15.043 -2.807 11.243 1.00 0.00 C ATOM 768 O ALA A 50 14.476 -2.369 12.244 1.00 0.00 O ATOM 769 CB ALA A 50 15.998 -4.937 12.142 1.00 0.00 C ATOM 0 H ALA A 50 17.196 -2.682 12.991 1.00 0.00 H new ATOM 0 HA ALA A 50 16.629 -3.929 10.365 1.00 0.00 H new ATOM 0 HB1 ALA A 50 15.193 -5.480 11.648 1.00 0.00 H new ATOM 0 HB2 ALA A 50 16.890 -5.562 12.175 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.694 -4.683 13.158 1.00 0.00 H new ATOM 775 N TYR A 51 14.614 -2.574 10.008 1.00 0.00 N ATOM 776 CA TYR A 51 13.426 -1.769 9.751 1.00 0.00 C ATOM 777 C TYR A 51 12.179 -2.646 9.677 1.00 0.00 C ATOM 778 O TYR A 51 12.098 -3.561 8.857 1.00 0.00 O ATOM 779 CB TYR A 51 13.588 -0.984 8.448 1.00 0.00 C ATOM 780 CG TYR A 51 12.325 -0.280 8.004 1.00 0.00 C ATOM 781 CD1 TYR A 51 11.878 0.863 8.656 1.00 0.00 C ATOM 782 CD2 TYR A 51 11.580 -0.758 6.934 1.00 0.00 C ATOM 783 CE1 TYR A 51 10.725 1.509 8.255 1.00 0.00 C ATOM 784 CE2 TYR A 51 10.426 -0.117 6.525 1.00 0.00 C ATOM 785 CZ TYR A 51 10.003 1.015 7.189 1.00 0.00 C ATOM 786 OH TYR A 51 8.853 1.655 6.785 1.00 0.00 O ATOM 0 H TYR A 51 15.071 -2.931 9.169 1.00 0.00 H new ATOM 0 HA TYR A 51 13.308 -1.068 10.578 1.00 0.00 H new ATOM 0 HB2 TYR A 51 14.380 -0.246 8.574 1.00 0.00 H new ATOM 0 HB3 TYR A 51 13.910 -1.666 7.661 1.00 0.00 H new ATOM 0 HD1 TYR A 51 12.442 1.253 9.491 1.00 0.00 H new ATOM 0 HD2 TYR A 51 11.908 -1.645 6.413 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.391 2.396 8.773 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.859 -0.501 5.690 1.00 0.00 H new ATOM 0 HH TYR A 51 8.465 1.180 6.021 1.00 0.00 H new ATOM 796 N ILE A 52 11.210 -2.359 10.540 1.00 0.00 N ATOM 797 CA ILE A 52 9.967 -3.119 10.572 1.00 0.00 C ATOM 798 C ILE A 52 8.948 -2.549 9.591 1.00 0.00 C ATOM 799 O ILE A 52 8.524 -1.400 9.719 1.00 0.00 O ATOM 800 CB ILE A 52 9.351 -3.131 11.984 1.00 0.00 C ATOM 801 CG1 ILE A 52 10.332 -3.744 12.986 1.00 0.00 C ATOM 802 CG2 ILE A 52 8.038 -3.899 11.982 1.00 0.00 C ATOM 803 CD1 ILE A 52 9.800 -3.789 14.402 1.00 0.00 C ATOM 0 H ILE A 52 11.262 -1.606 11.226 1.00 0.00 H new ATOM 0 HA ILE A 52 10.215 -4.140 10.283 1.00 0.00 H new ATOM 0 HB ILE A 52 9.148 -2.103 12.285 1.00 0.00 H new ATOM 0 HG12 ILE A 52 10.579 -4.756 12.667 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.259 -3.170 12.973 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.615 -3.899 12.987 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.339 -3.423 11.294 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.218 -4.926 11.664 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.548 -4.235 15.058 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.579 -2.777 14.740 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.889 -4.388 14.430 1.00 0.00 H new ATOM 815 N ILE A 53 8.560 -3.360 8.613 1.00 0.00 N ATOM 816 CA ILE A 53 7.589 -2.937 7.611 1.00 0.00 C ATOM 817 C ILE A 53 6.164 -3.236 8.066 1.00 0.00 C ATOM 818 O ILE A 53 5.218 -2.568 7.653 1.00 0.00 O ATOM 819 CB ILE A 53 7.839 -3.628 6.258 1.00 0.00 C ATOM 820 CG1 ILE A 53 9.317 -3.531 5.876 1.00 0.00 C ATOM 821 CG2 ILE A 53 6.965 -3.009 5.177 1.00 0.00 C ATOM 822 CD1 ILE A 53 9.658 -4.249 4.589 1.00 0.00 C ATOM 0 H ILE A 53 8.903 -4.313 8.493 1.00 0.00 H new ATOM 0 HA ILE A 53 7.711 -1.861 7.488 1.00 0.00 H new ATOM 0 HB ILE A 53 7.576 -4.682 6.351 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.591 -2.480 5.780 1.00 0.00 H new ATOM 0 HG13 ILE A 53 9.920 -3.945 6.684 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.153 -3.508 4.227 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.915 -3.126 5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.199 -1.949 5.082 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.722 -4.138 4.381 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.416 -5.307 4.688 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.081 -3.820 3.769 1.00 0.00 H new ATOM 834 N GLU A 54 6.021 -4.243 8.922 1.00 0.00 N ATOM 835 CA GLU A 54 4.711 -4.629 9.434 1.00 0.00 C ATOM 836 C GLU A 54 4.838 -5.749 10.462 1.00 0.00 C ATOM 837 O GLU A 54 5.670 -6.646 10.321 1.00 0.00 O ATOM 838 CB GLU A 54 3.802 -5.075 8.287 1.00 0.00 C ATOM 839 CG GLU A 54 2.450 -5.593 8.749 1.00 0.00 C ATOM 840 CD GLU A 54 1.319 -5.172 7.830 1.00 0.00 C ATOM 841 OE1 GLU A 54 1.238 -3.971 7.500 1.00 0.00 O ATOM 842 OE2 GLU A 54 0.516 -6.046 7.441 1.00 0.00 O ATOM 0 H GLU A 54 6.795 -4.806 9.275 1.00 0.00 H new ATOM 0 HA GLU A 54 4.269 -3.760 9.921 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.648 -4.235 7.609 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.306 -5.856 7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.482 -6.681 8.805 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.250 -5.228 9.756 1.00 0.00 H new ATOM 849 N VAL A 55 4.006 -5.691 11.498 1.00 0.00 N ATOM 850 CA VAL A 55 4.024 -6.701 12.550 1.00 0.00 C ATOM 851 C VAL A 55 2.711 -7.474 12.591 1.00 0.00 C ATOM 852 O VAL A 55 1.689 -6.959 13.045 1.00 0.00 O ATOM 853 CB VAL A 55 4.277 -6.067 13.931 1.00 0.00 C ATOM 854 CG1 VAL A 55 3.342 -4.889 14.158 1.00 0.00 C ATOM 855 CG2 VAL A 55 4.117 -7.106 15.030 1.00 0.00 C ATOM 0 H VAL A 55 3.312 -4.956 11.631 1.00 0.00 H new ATOM 0 HA VAL A 55 4.839 -7.387 12.318 1.00 0.00 H new ATOM 0 HB VAL A 55 5.301 -5.696 13.959 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.536 -4.454 15.139 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.511 -4.137 13.388 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.308 -5.231 14.111 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.299 -6.642 15.999 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.104 -7.509 15.005 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.833 -7.913 14.874 1.00 0.00 H new ATOM 865 N ILE A 56 2.746 -8.714 12.115 1.00 0.00 N ATOM 866 CA ILE A 56 1.558 -9.560 12.099 1.00 0.00 C ATOM 867 C ILE A 56 0.885 -9.587 13.466 1.00 0.00 C ATOM 868 O ILE A 56 1.533 -9.733 14.503 1.00 0.00 O ATOM 869 CB ILE A 56 1.900 -11.001 11.679 1.00 0.00 C ATOM 870 CG1 ILE A 56 2.590 -11.008 10.313 1.00 0.00 C ATOM 871 CG2 ILE A 56 0.641 -11.856 11.646 1.00 0.00 C ATOM 872 CD1 ILE A 56 1.799 -10.306 9.232 1.00 0.00 C ATOM 0 H ILE A 56 3.584 -9.155 11.735 1.00 0.00 H new ATOM 0 HA ILE A 56 0.873 -9.130 11.368 1.00 0.00 H new ATOM 0 HB ILE A 56 2.585 -11.424 12.413 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.566 -10.531 10.406 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.767 -12.040 10.010 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.899 -12.872 11.347 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.187 -11.873 12.637 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.066 -11.436 10.930 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.349 -10.350 8.292 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.833 -10.797 9.111 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.644 -9.264 9.513 1.00 0.00 H new ATOM 884 N PRO A 57 -0.449 -9.444 13.472 1.00 0.00 N ATOM 885 CA PRO A 57 -1.241 -9.451 14.705 1.00 0.00 C ATOM 886 C PRO A 57 -1.288 -10.829 15.356 1.00 0.00 C ATOM 887 O PRO A 57 -0.971 -11.836 14.723 1.00 0.00 O ATOM 888 CB PRO A 57 -2.637 -9.035 14.233 1.00 0.00 C ATOM 889 CG PRO A 57 -2.686 -9.434 12.799 1.00 0.00 C ATOM 890 CD PRO A 57 -1.287 -9.265 12.274 1.00 0.00 C ATOM 0 HA PRO A 57 -0.819 -8.792 15.464 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.415 -9.535 14.810 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.792 -7.963 14.351 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.021 -10.466 12.692 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.389 -8.812 12.245 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.054 -10.003 11.507 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.142 -8.282 11.825 1.00 0.00 H new ATOM 898 N ASP A 58 -1.685 -10.866 16.623 1.00 0.00 N ATOM 899 CA ASP A 58 -1.774 -12.122 17.360 1.00 0.00 C ATOM 900 C ASP A 58 -0.397 -12.758 17.519 1.00 0.00 C ATOM 901 O ASP A 58 -0.273 -13.979 17.625 1.00 0.00 O ATOM 902 CB ASP A 58 -2.718 -13.091 16.645 1.00 0.00 C ATOM 903 CG ASP A 58 -3.419 -14.031 17.606 1.00 0.00 C ATOM 904 OD1 ASP A 58 -4.221 -13.546 18.431 1.00 0.00 O ATOM 905 OD2 ASP A 58 -3.164 -15.252 17.534 1.00 0.00 O ATOM 0 H ASP A 58 -1.950 -10.041 17.161 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.170 -11.906 18.352 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.463 -12.523 16.088 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.153 -13.674 15.918 1.00 0.00 H new ATOM 910 N THR A 59 0.637 -11.923 17.534 1.00 0.00 N ATOM 911 CA THR A 59 2.005 -12.403 17.678 1.00 0.00 C ATOM 912 C THR A 59 2.650 -11.855 18.946 1.00 0.00 C ATOM 913 O THR A 59 2.251 -10.818 19.476 1.00 0.00 O ATOM 914 CB THR A 59 2.869 -12.009 16.465 1.00 0.00 C ATOM 915 OG1 THR A 59 3.005 -10.585 16.402 1.00 0.00 O ATOM 916 CG2 THR A 59 2.254 -12.523 15.172 1.00 0.00 C ATOM 0 H THR A 59 0.553 -10.910 17.448 1.00 0.00 H new ATOM 0 HA THR A 59 1.953 -13.490 17.741 1.00 0.00 H new ATOM 0 HB THR A 59 3.853 -12.462 16.585 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.724 -10.268 15.518 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.882 -12.232 14.330 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.180 -13.610 15.211 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.259 -12.096 15.047 1.00 0.00 H new ATOM 924 N PRO A 60 3.672 -12.566 19.446 1.00 0.00 N ATOM 925 CA PRO A 60 4.395 -12.169 20.658 1.00 0.00 C ATOM 926 C PRO A 60 5.241 -10.919 20.445 1.00 0.00 C ATOM 927 O PRO A 60 5.809 -10.374 21.390 1.00 0.00 O ATOM 928 CB PRO A 60 5.289 -13.377 20.949 1.00 0.00 C ATOM 929 CG PRO A 60 5.478 -14.036 19.627 1.00 0.00 C ATOM 930 CD PRO A 60 4.201 -13.812 18.866 1.00 0.00 C ATOM 0 HA PRO A 60 3.717 -11.917 21.473 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.243 -13.069 21.378 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.821 -14.053 21.665 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.329 -13.609 19.096 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.679 -15.101 19.747 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.383 -13.711 17.796 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.506 -14.642 18.994 1.00 0.00 H new ATOM 938 N ALA A 61 5.320 -10.469 19.197 1.00 0.00 N ATOM 939 CA ALA A 61 6.095 -9.281 18.860 1.00 0.00 C ATOM 940 C ALA A 61 5.214 -8.036 18.848 1.00 0.00 C ATOM 941 O ALA A 61 5.642 -6.958 19.259 1.00 0.00 O ATOM 942 CB ALA A 61 6.777 -9.460 17.512 1.00 0.00 C ATOM 0 H ALA A 61 4.857 -10.909 18.402 1.00 0.00 H new ATOM 0 HA ALA A 61 6.859 -9.147 19.626 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.352 -8.565 17.273 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.445 -10.320 17.554 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.023 -9.623 16.742 1.00 0.00 H new ATOM 948 N GLU A 62 3.982 -8.193 18.374 1.00 0.00 N ATOM 949 CA GLU A 62 3.042 -7.080 18.308 1.00 0.00 C ATOM 950 C GLU A 62 2.740 -6.540 19.703 1.00 0.00 C ATOM 951 O GLU A 62 2.750 -5.330 19.927 1.00 0.00 O ATOM 952 CB GLU A 62 1.744 -7.520 17.627 1.00 0.00 C ATOM 953 CG GLU A 62 0.501 -6.863 18.205 1.00 0.00 C ATOM 954 CD GLU A 62 -0.691 -6.950 17.272 1.00 0.00 C ATOM 955 OE1 GLU A 62 -0.705 -6.223 16.257 1.00 0.00 O ATOM 956 OE2 GLU A 62 -1.611 -7.745 17.558 1.00 0.00 O ATOM 0 H GLU A 62 3.612 -9.079 18.030 1.00 0.00 H new ATOM 0 HA GLU A 62 3.500 -6.284 17.721 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.805 -7.290 16.563 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.647 -8.602 17.714 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.251 -7.338 19.154 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.714 -5.816 18.420 1.00 0.00 H new ATOM 963 N ALA A 63 2.471 -7.446 20.637 1.00 0.00 N ATOM 964 CA ALA A 63 2.167 -7.062 22.010 1.00 0.00 C ATOM 965 C ALA A 63 3.419 -6.581 22.735 1.00 0.00 C ATOM 966 O ALA A 63 3.366 -5.645 23.532 1.00 0.00 O ATOM 967 CB ALA A 63 1.537 -8.227 22.757 1.00 0.00 C ATOM 0 H ALA A 63 2.457 -8.452 20.468 1.00 0.00 H new ATOM 0 HA ALA A 63 1.456 -6.237 21.981 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.315 -7.926 23.781 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.614 -8.523 22.258 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.229 -9.069 22.768 1.00 0.00 H new ATOM 973 N GLY A 64 4.546 -7.228 22.454 1.00 0.00 N ATOM 974 CA GLY A 64 5.796 -6.853 23.088 1.00 0.00 C ATOM 975 C GLY A 64 6.102 -5.376 22.937 1.00 0.00 C ATOM 976 O GLY A 64 6.730 -4.773 23.806 1.00 0.00 O ATOM 0 H GLY A 64 4.615 -8.006 21.798 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.753 -7.106 24.147 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.609 -7.436 22.654 1.00 0.00 H new ATOM 980 N GLY A 65 5.658 -4.791 21.829 1.00 0.00 N ATOM 981 CA GLY A 65 5.899 -3.381 21.586 1.00 0.00 C ATOM 982 C GLY A 65 6.380 -3.109 20.174 1.00 0.00 C ATOM 983 O GLY A 65 6.296 -1.981 19.688 1.00 0.00 O ATOM 0 H GLY A 65 5.135 -5.269 21.095 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.981 -2.822 21.768 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.641 -3.015 22.296 1.00 0.00 H new ATOM 987 N LEU A 66 6.887 -4.145 19.515 1.00 0.00 N ATOM 988 CA LEU A 66 7.385 -4.013 18.150 1.00 0.00 C ATOM 989 C LEU A 66 6.282 -3.534 17.211 1.00 0.00 C ATOM 990 O LEU A 66 5.385 -4.296 16.850 1.00 0.00 O ATOM 991 CB LEU A 66 7.944 -5.349 17.658 1.00 0.00 C ATOM 992 CG LEU A 66 9.200 -5.854 18.370 1.00 0.00 C ATOM 993 CD1 LEU A 66 9.699 -7.137 17.725 1.00 0.00 C ATOM 994 CD2 LEU A 66 10.286 -4.788 18.353 1.00 0.00 C ATOM 0 H LEU A 66 6.964 -5.085 19.903 1.00 0.00 H new ATOM 0 HA LEU A 66 8.183 -3.271 18.152 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.165 -6.105 17.758 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.165 -5.258 16.595 1.00 0.00 H new ATOM 0 HG LEU A 66 8.946 -6.069 19.408 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.593 -7.482 18.245 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.925 -7.902 17.789 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.937 -6.949 16.678 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.173 -5.164 18.864 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.538 -4.542 17.322 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.926 -3.894 18.862 1.00 0.00 H new ATOM 1006 N LYS A 67 6.355 -2.267 16.818 1.00 0.00 N ATOM 1007 CA LYS A 67 5.365 -1.686 15.919 1.00 0.00 C ATOM 1008 C LYS A 67 5.972 -1.413 14.546 1.00 0.00 C ATOM 1009 O LYS A 67 7.168 -1.608 14.337 1.00 0.00 O ATOM 1010 CB LYS A 67 4.809 -0.389 16.509 1.00 0.00 C ATOM 1011 CG LYS A 67 3.681 -0.608 17.504 1.00 0.00 C ATOM 1012 CD LYS A 67 2.320 -0.475 16.841 1.00 0.00 C ATOM 1013 CE LYS A 67 1.969 0.981 16.576 1.00 0.00 C ATOM 1014 NZ LYS A 67 1.621 1.705 17.830 1.00 0.00 N ATOM 0 H LYS A 67 7.090 -1.622 17.108 1.00 0.00 H new ATOM 0 HA LYS A 67 4.552 -2.402 15.802 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.617 0.152 17.002 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.449 0.244 15.698 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.775 -1.598 17.950 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.764 0.116 18.315 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.316 -1.028 15.902 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.558 -0.924 17.478 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.812 1.476 16.093 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.130 1.032 15.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.180 2.617 17.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.955 1.133 18.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.484 1.872 18.386 1.00 0.00 H new ATOM 1028 N GLU A 68 5.138 -0.959 13.615 1.00 0.00 N ATOM 1029 CA GLU A 68 5.593 -0.659 12.263 1.00 0.00 C ATOM 1030 C GLU A 68 6.456 0.600 12.246 1.00 0.00 C ATOM 1031 O GLU A 68 6.329 1.463 13.114 1.00 0.00 O ATOM 1032 CB GLU A 68 4.397 -0.484 11.325 1.00 0.00 C ATOM 1033 CG GLU A 68 4.742 -0.676 9.858 1.00 0.00 C ATOM 1034 CD GLU A 68 3.513 -0.702 8.969 1.00 0.00 C ATOM 1035 OE1 GLU A 68 2.607 -1.520 9.231 1.00 0.00 O ATOM 1036 OE2 GLU A 68 3.458 0.097 8.011 1.00 0.00 O ATOM 0 H GLU A 68 4.144 -0.791 13.773 1.00 0.00 H new ATOM 0 HA GLU A 68 6.197 -1.497 11.916 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.620 -1.196 11.603 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.980 0.513 11.464 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.402 0.129 9.535 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.293 -1.608 9.737 1.00 0.00 H new ATOM 1043 N ASN A 69 7.332 0.696 11.252 1.00 0.00 N ATOM 1044 CA ASN A 69 8.217 1.849 11.122 1.00 0.00 C ATOM 1045 C ASN A 69 9.162 1.946 12.316 1.00 0.00 C ATOM 1046 O ASN A 69 9.518 3.041 12.751 1.00 0.00 O ATOM 1047 CB ASN A 69 7.398 3.135 11.000 1.00 0.00 C ATOM 1048 CG ASN A 69 6.216 2.981 10.062 1.00 0.00 C ATOM 1049 OD1 ASN A 69 6.316 2.332 9.021 1.00 0.00 O ATOM 1050 ND2 ASN A 69 5.088 3.579 10.428 1.00 0.00 N ATOM 0 H ASN A 69 7.449 -0.010 10.525 1.00 0.00 H new ATOM 0 HA ASN A 69 8.813 1.719 10.219 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.040 3.429 11.986 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.041 3.939 10.641 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.259 3.510 9.837 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.050 4.107 11.300 1.00 0.00 H new ATOM 1057 N ASP A 70 9.565 0.794 12.840 1.00 0.00 N ATOM 1058 CA ASP A 70 10.471 0.749 13.982 1.00 0.00 C ATOM 1059 C ASP A 70 11.891 0.413 13.536 1.00 0.00 C ATOM 1060 O ASP A 70 12.106 -0.075 12.427 1.00 0.00 O ATOM 1061 CB ASP A 70 9.987 -0.282 15.003 1.00 0.00 C ATOM 1062 CG ASP A 70 9.144 0.341 16.099 1.00 0.00 C ATOM 1063 OD1 ASP A 70 9.632 1.281 16.760 1.00 0.00 O ATOM 1064 OD2 ASP A 70 7.998 -0.113 16.297 1.00 0.00 O ATOM 0 H ASP A 70 9.279 -0.121 12.492 1.00 0.00 H new ATOM 0 HA ASP A 70 10.479 1.735 14.448 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.405 -1.049 14.492 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.848 -0.779 15.449 1.00 0.00 H new ATOM 1069 N VAL A 71 12.858 0.679 14.409 1.00 0.00 N ATOM 1070 CA VAL A 71 14.257 0.406 14.106 1.00 0.00 C ATOM 1071 C VAL A 71 15.003 -0.080 15.343 1.00 0.00 C ATOM 1072 O VAL A 71 15.222 0.681 16.287 1.00 0.00 O ATOM 1073 CB VAL A 71 14.966 1.656 13.551 1.00 0.00 C ATOM 1074 CG1 VAL A 71 16.362 1.305 13.060 1.00 0.00 C ATOM 1075 CG2 VAL A 71 14.142 2.284 12.436 1.00 0.00 C ATOM 0 H VAL A 71 12.697 1.083 15.332 1.00 0.00 H new ATOM 0 HA VAL A 71 14.269 -0.376 13.347 1.00 0.00 H new ATOM 0 HB VAL A 71 15.063 2.385 14.356 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.847 2.201 12.672 1.00 0.00 H new ATOM 0 HG12 VAL A 71 16.948 0.904 13.887 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.292 0.558 12.269 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.657 3.166 12.055 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.012 1.563 11.629 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.166 2.574 12.824 1.00 0.00 H new ATOM 1085 N ILE A 72 15.391 -1.351 15.333 1.00 0.00 N ATOM 1086 CA ILE A 72 16.114 -1.938 16.454 1.00 0.00 C ATOM 1087 C ILE A 72 17.597 -1.589 16.395 1.00 0.00 C ATOM 1088 O ILE A 72 18.243 -1.753 15.360 1.00 0.00 O ATOM 1089 CB ILE A 72 15.959 -3.470 16.484 1.00 0.00 C ATOM 1090 CG1 ILE A 72 14.480 -3.853 16.577 1.00 0.00 C ATOM 1091 CG2 ILE A 72 16.738 -4.058 17.651 1.00 0.00 C ATOM 1092 CD1 ILE A 72 14.049 -4.855 15.529 1.00 0.00 C ATOM 0 H ILE A 72 15.217 -1.994 14.561 1.00 0.00 H new ATOM 0 HA ILE A 72 15.681 -1.520 17.363 1.00 0.00 H new ATOM 0 HB ILE A 72 16.364 -3.880 15.559 1.00 0.00 H new ATOM 0 HG12 ILE A 72 14.281 -4.266 17.566 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.873 -2.953 16.479 1.00 0.00 H new ATOM 0 HG21 ILE A 72 16.619 -5.141 17.659 1.00 0.00 H new ATOM 0 HG22 ILE A 72 17.794 -3.810 17.545 1.00 0.00 H new ATOM 0 HG23 ILE A 72 16.360 -3.644 18.586 1.00 0.00 H new ATOM 0 HD11 ILE A 72 12.990 -5.080 15.655 1.00 0.00 H new ATOM 0 HD12 ILE A 72 14.216 -4.437 14.536 1.00 0.00 H new ATOM 0 HD13 ILE A 72 14.630 -5.770 15.640 1.00 0.00 H new ATOM 1104 N ILE A 73 18.131 -1.109 17.513 1.00 0.00 N ATOM 1105 CA ILE A 73 19.540 -0.741 17.589 1.00 0.00 C ATOM 1106 C ILE A 73 20.331 -1.757 18.406 1.00 0.00 C ATOM 1107 O ILE A 73 21.539 -1.909 18.225 1.00 0.00 O ATOM 1108 CB ILE A 73 19.723 0.656 18.211 1.00 0.00 C ATOM 1109 CG1 ILE A 73 18.986 0.743 19.549 1.00 0.00 C ATOM 1110 CG2 ILE A 73 19.227 1.731 17.256 1.00 0.00 C ATOM 1111 CD1 ILE A 73 19.842 1.272 20.678 1.00 0.00 C ATOM 0 H ILE A 73 17.610 -0.966 18.378 1.00 0.00 H new ATOM 0 HA ILE A 73 19.919 -0.728 16.567 1.00 0.00 H new ATOM 0 HB ILE A 73 20.785 0.820 18.391 1.00 0.00 H new ATOM 0 HG12 ILE A 73 18.114 1.387 19.433 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.618 -0.247 19.817 1.00 0.00 H new ATOM 0 HG21 ILE A 73 19.363 2.712 17.710 1.00 0.00 H new ATOM 0 HG22 ILE A 73 19.793 1.680 16.326 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.169 1.572 17.047 1.00 0.00 H new ATOM 0 HD11 ILE A 73 19.254 1.306 21.595 1.00 0.00 H new ATOM 0 HD12 ILE A 73 20.701 0.616 20.822 1.00 0.00 H new ATOM 0 HD13 ILE A 73 20.189 2.276 20.432 1.00 0.00 H new ATOM 1123 N SER A 74 19.640 -2.452 19.304 1.00 0.00 N ATOM 1124 CA SER A 74 20.278 -3.453 20.151 1.00 0.00 C ATOM 1125 C SER A 74 19.262 -4.484 20.633 1.00 0.00 C ATOM 1126 O SER A 74 18.066 -4.202 20.712 1.00 0.00 O ATOM 1127 CB SER A 74 20.952 -2.784 21.350 1.00 0.00 C ATOM 1128 OG SER A 74 21.434 -3.749 22.269 1.00 0.00 O ATOM 0 H SER A 74 18.639 -2.340 19.464 1.00 0.00 H new ATOM 0 HA SER A 74 21.036 -3.965 19.558 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.778 -2.161 21.006 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.242 -2.125 21.849 1.00 0.00 H new ATOM 0 HG SER A 74 21.862 -3.296 23.025 1.00 0.00 H new ATOM 1134 N ILE A 75 19.747 -5.678 20.955 1.00 0.00 N ATOM 1135 CA ILE A 75 18.883 -6.750 21.431 1.00 0.00 C ATOM 1136 C ILE A 75 19.618 -7.654 22.415 1.00 0.00 C ATOM 1137 O ILE A 75 20.688 -8.179 22.110 1.00 0.00 O ATOM 1138 CB ILE A 75 18.351 -7.605 20.265 1.00 0.00 C ATOM 1139 CG1 ILE A 75 17.567 -6.734 19.282 1.00 0.00 C ATOM 1140 CG2 ILE A 75 17.480 -8.736 20.791 1.00 0.00 C ATOM 1141 CD1 ILE A 75 17.021 -7.500 18.098 1.00 0.00 C ATOM 0 H ILE A 75 20.734 -5.927 20.895 1.00 0.00 H new ATOM 0 HA ILE A 75 18.042 -6.275 21.936 1.00 0.00 H new ATOM 0 HB ILE A 75 19.199 -8.042 19.738 1.00 0.00 H new ATOM 0 HG12 ILE A 75 16.740 -6.259 19.810 1.00 0.00 H new ATOM 0 HG13 ILE A 75 18.215 -5.935 18.920 1.00 0.00 H new ATOM 0 HG21 ILE A 75 17.112 -9.331 19.955 1.00 0.00 H new ATOM 0 HG22 ILE A 75 18.068 -9.369 21.456 1.00 0.00 H new ATOM 0 HG23 ILE A 75 16.635 -8.320 21.340 1.00 0.00 H new ATOM 0 HD11 ILE A 75 16.477 -6.819 17.444 1.00 0.00 H new ATOM 0 HD12 ILE A 75 17.845 -7.953 17.546 1.00 0.00 H new ATOM 0 HD13 ILE A 75 16.347 -8.281 18.450 1.00 0.00 H new ATOM 1153 N ASN A 76 19.036 -7.832 23.596 1.00 0.00 N ATOM 1154 CA ASN A 76 19.635 -8.674 24.625 1.00 0.00 C ATOM 1155 C ASN A 76 20.979 -8.109 25.076 1.00 0.00 C ATOM 1156 O ASN A 76 21.851 -8.844 25.535 1.00 0.00 O ATOM 1157 CB ASN A 76 19.819 -10.101 24.103 1.00 0.00 C ATOM 1158 CG ASN A 76 19.166 -11.133 25.001 1.00 0.00 C ATOM 1159 OD1 ASN A 76 19.447 -11.198 26.198 1.00 0.00 O ATOM 1160 ND2 ASN A 76 18.289 -11.948 24.426 1.00 0.00 N ATOM 0 H ASN A 76 18.150 -7.404 23.865 1.00 0.00 H new ATOM 0 HA ASN A 76 18.962 -8.691 25.482 1.00 0.00 H new ATOM 0 HB2 ASN A 76 19.397 -10.176 23.101 1.00 0.00 H new ATOM 0 HB3 ASN A 76 20.883 -10.319 24.017 1.00 0.00 H new ATOM 0 HD21 ASN A 76 17.818 -12.663 24.980 1.00 0.00 H new ATOM 0 HD22 ASN A 76 18.086 -11.859 23.430 1.00 0.00 H new ATOM 1167 N GLY A 77 21.137 -6.795 24.941 1.00 0.00 N ATOM 1168 CA GLY A 77 22.376 -6.153 25.339 1.00 0.00 C ATOM 1169 C GLY A 77 23.441 -6.230 24.262 1.00 0.00 C ATOM 1170 O GLY A 77 24.631 -6.100 24.548 1.00 0.00 O ATOM 0 H GLY A 77 20.429 -6.165 24.563 1.00 0.00 H new ATOM 0 HA2 GLY A 77 22.180 -5.108 25.577 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.749 -6.623 26.249 1.00 0.00 H new ATOM 1174 N GLN A 78 23.012 -6.443 23.023 1.00 0.00 N ATOM 1175 CA GLN A 78 23.938 -6.540 21.900 1.00 0.00 C ATOM 1176 C GLN A 78 23.468 -5.680 20.731 1.00 0.00 C ATOM 1177 O GLN A 78 22.387 -5.896 20.185 1.00 0.00 O ATOM 1178 CB GLN A 78 24.081 -7.996 21.454 1.00 0.00 C ATOM 1179 CG GLN A 78 25.462 -8.577 21.708 1.00 0.00 C ATOM 1180 CD GLN A 78 25.422 -9.820 22.575 1.00 0.00 C ATOM 1181 OE1 GLN A 78 24.656 -9.896 23.536 1.00 0.00 O ATOM 1182 NE2 GLN A 78 26.248 -10.804 22.239 1.00 0.00 N ATOM 0 H GLN A 78 22.030 -6.552 22.771 1.00 0.00 H new ATOM 0 HA GLN A 78 24.910 -6.172 22.230 1.00 0.00 H new ATOM 0 HB2 GLN A 78 23.340 -8.601 21.975 1.00 0.00 H new ATOM 0 HB3 GLN A 78 23.857 -8.065 20.389 1.00 0.00 H new ATOM 0 HG2 GLN A 78 25.931 -8.819 20.754 1.00 0.00 H new ATOM 0 HG3 GLN A 78 26.086 -7.824 22.188 1.00 0.00 H new ATOM 0 HE21 GLN A 78 26.866 -10.699 21.435 1.00 0.00 H new ATOM 0 HE22 GLN A 78 26.264 -11.665 22.785 1.00 0.00 H new ATOM 1191 N SER A 79 24.289 -4.706 20.353 1.00 0.00 N ATOM 1192 CA SER A 79 23.955 -3.811 19.251 1.00 0.00 C ATOM 1193 C SER A 79 23.902 -4.572 17.930 1.00 0.00 C ATOM 1194 O SER A 79 24.804 -5.347 17.610 1.00 0.00 O ATOM 1195 CB SER A 79 24.978 -2.677 19.159 1.00 0.00 C ATOM 1196 OG SER A 79 24.876 -1.806 20.272 1.00 0.00 O ATOM 0 H SER A 79 25.190 -4.516 20.793 1.00 0.00 H new ATOM 0 HA SER A 79 22.970 -3.387 19.446 1.00 0.00 H new ATOM 0 HB2 SER A 79 25.984 -3.094 19.111 1.00 0.00 H new ATOM 0 HB3 SER A 79 24.821 -2.115 18.238 1.00 0.00 H new ATOM 0 HG SER A 79 25.541 -1.091 20.190 1.00 0.00 H new ATOM 1202 N VAL A 80 22.839 -4.345 17.165 1.00 0.00 N ATOM 1203 CA VAL A 80 22.667 -5.008 15.878 1.00 0.00 C ATOM 1204 C VAL A 80 22.760 -4.010 14.729 1.00 0.00 C ATOM 1205 O VAL A 80 22.504 -2.818 14.905 1.00 0.00 O ATOM 1206 CB VAL A 80 21.315 -5.740 15.799 1.00 0.00 C ATOM 1207 CG1 VAL A 80 21.173 -6.725 16.950 1.00 0.00 C ATOM 1208 CG2 VAL A 80 20.168 -4.741 15.798 1.00 0.00 C ATOM 0 H VAL A 80 22.084 -3.707 17.414 1.00 0.00 H new ATOM 0 HA VAL A 80 23.472 -5.738 15.788 1.00 0.00 H new ATOM 0 HB VAL A 80 21.279 -6.301 14.865 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.211 -7.233 16.878 1.00 0.00 H new ATOM 0 HG12 VAL A 80 21.976 -7.460 16.901 1.00 0.00 H new ATOM 0 HG13 VAL A 80 21.230 -6.188 17.897 1.00 0.00 H new ATOM 0 HG21 VAL A 80 19.220 -5.276 15.742 1.00 0.00 H new ATOM 0 HG22 VAL A 80 20.198 -4.151 16.714 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.263 -4.079 14.937 1.00 0.00 H new ATOM 1218 N VAL A 81 23.127 -4.504 13.551 1.00 0.00 N ATOM 1219 CA VAL A 81 23.252 -3.656 12.372 1.00 0.00 C ATOM 1220 C VAL A 81 22.716 -4.359 11.130 1.00 0.00 C ATOM 1221 O VAL A 81 23.114 -4.048 10.007 1.00 0.00 O ATOM 1222 CB VAL A 81 24.717 -3.248 12.126 1.00 0.00 C ATOM 1223 CG1 VAL A 81 25.157 -2.201 13.137 1.00 0.00 C ATOM 1224 CG2 VAL A 81 25.625 -4.468 12.180 1.00 0.00 C ATOM 0 H VAL A 81 23.343 -5.487 13.388 1.00 0.00 H new ATOM 0 HA VAL A 81 22.661 -2.760 12.563 1.00 0.00 H new ATOM 0 HB VAL A 81 24.792 -2.811 11.130 1.00 0.00 H new ATOM 0 HG11 VAL A 81 26.194 -1.925 12.947 1.00 0.00 H new ATOM 0 HG12 VAL A 81 24.524 -1.318 13.045 1.00 0.00 H new ATOM 0 HG13 VAL A 81 25.068 -2.608 14.144 1.00 0.00 H new ATOM 0 HG21 VAL A 81 26.656 -4.162 12.004 1.00 0.00 H new ATOM 0 HG22 VAL A 81 25.548 -4.936 13.161 1.00 0.00 H new ATOM 0 HG23 VAL A 81 25.322 -5.181 11.413 1.00 0.00 H new ATOM 1234 N SER A 82 21.810 -5.309 11.339 1.00 0.00 N ATOM 1235 CA SER A 82 21.221 -6.060 10.236 1.00 0.00 C ATOM 1236 C SER A 82 19.970 -6.804 10.692 1.00 0.00 C ATOM 1237 O SER A 82 19.962 -7.440 11.746 1.00 0.00 O ATOM 1238 CB SER A 82 22.238 -7.051 9.666 1.00 0.00 C ATOM 1239 OG SER A 82 22.739 -6.605 8.417 1.00 0.00 O ATOM 0 H SER A 82 21.468 -5.577 12.262 1.00 0.00 H new ATOM 0 HA SER A 82 20.938 -5.352 9.457 1.00 0.00 H new ATOM 0 HB2 SER A 82 23.062 -7.176 10.368 1.00 0.00 H new ATOM 0 HB3 SER A 82 21.771 -8.028 9.546 1.00 0.00 H new ATOM 0 HG SER A 82 23.004 -5.664 8.488 1.00 0.00 H new ATOM 1245 N ALA A 83 18.914 -6.720 9.890 1.00 0.00 N ATOM 1246 CA ALA A 83 17.657 -7.386 10.210 1.00 0.00 C ATOM 1247 C ALA A 83 17.862 -8.886 10.391 1.00 0.00 C ATOM 1248 O ALA A 83 17.075 -9.553 11.062 1.00 0.00 O ATOM 1249 CB ALA A 83 16.627 -7.119 9.122 1.00 0.00 C ATOM 0 H ALA A 83 18.904 -6.198 9.014 1.00 0.00 H new ATOM 0 HA ALA A 83 17.288 -6.980 11.152 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.693 -7.622 9.374 1.00 0.00 H new ATOM 0 HB2 ALA A 83 16.451 -6.046 9.043 1.00 0.00 H new ATOM 0 HB3 ALA A 83 16.998 -7.497 8.169 1.00 0.00 H new ATOM 1255 N ASN A 84 18.923 -9.411 9.787 1.00 0.00 N ATOM 1256 CA ASN A 84 19.230 -10.834 9.881 1.00 0.00 C ATOM 1257 C ASN A 84 19.821 -11.174 11.246 1.00 0.00 C ATOM 1258 O ASN A 84 19.718 -12.308 11.713 1.00 0.00 O ATOM 1259 CB ASN A 84 20.206 -11.240 8.775 1.00 0.00 C ATOM 1260 CG ASN A 84 19.727 -12.450 7.997 1.00 0.00 C ATOM 1261 OD1 ASN A 84 19.868 -13.587 8.447 1.00 0.00 O ATOM 1262 ND2 ASN A 84 19.157 -12.210 6.822 1.00 0.00 N ATOM 0 H ASN A 84 19.585 -8.873 9.227 1.00 0.00 H new ATOM 0 HA ASN A 84 18.300 -11.390 9.759 1.00 0.00 H new ATOM 0 HB2 ASN A 84 20.344 -10.403 8.091 1.00 0.00 H new ATOM 0 HB3 ASN A 84 21.180 -11.456 9.215 1.00 0.00 H new ATOM 0 HD21 ASN A 84 18.815 -12.985 6.253 1.00 0.00 H new ATOM 0 HD22 ASN A 84 19.061 -11.251 6.488 1.00 0.00 H new ATOM 1269 N ASP A 85 20.438 -10.183 11.881 1.00 0.00 N ATOM 1270 CA ASP A 85 21.043 -10.376 13.193 1.00 0.00 C ATOM 1271 C ASP A 85 19.978 -10.400 14.285 1.00 0.00 C ATOM 1272 O ASP A 85 20.009 -11.247 15.178 1.00 0.00 O ATOM 1273 CB ASP A 85 22.058 -9.268 13.478 1.00 0.00 C ATOM 1274 CG ASP A 85 23.480 -9.690 13.162 1.00 0.00 C ATOM 1275 OD1 ASP A 85 23.655 -10.630 12.359 1.00 0.00 O ATOM 1276 OD2 ASP A 85 24.418 -9.081 13.719 1.00 0.00 O ATOM 0 H ASP A 85 20.532 -9.238 11.508 1.00 0.00 H new ATOM 0 HA ASP A 85 21.557 -11.337 13.191 1.00 0.00 H new ATOM 0 HB2 ASP A 85 21.804 -8.387 12.889 1.00 0.00 H new ATOM 0 HB3 ASP A 85 21.992 -8.980 14.527 1.00 0.00 H new ATOM 1281 N VAL A 86 19.038 -9.464 14.208 1.00 0.00 N ATOM 1282 CA VAL A 86 17.963 -9.378 15.189 1.00 0.00 C ATOM 1283 C VAL A 86 17.094 -10.630 15.164 1.00 0.00 C ATOM 1284 O VAL A 86 16.452 -10.973 16.157 1.00 0.00 O ATOM 1285 CB VAL A 86 17.074 -8.145 14.941 1.00 0.00 C ATOM 1286 CG1 VAL A 86 17.884 -6.865 15.086 1.00 0.00 C ATOM 1287 CG2 VAL A 86 16.426 -8.223 13.567 1.00 0.00 C ATOM 0 H VAL A 86 18.999 -8.754 13.476 1.00 0.00 H new ATOM 0 HA VAL A 86 18.435 -9.286 16.167 1.00 0.00 H new ATOM 0 HB VAL A 86 16.282 -8.133 15.690 1.00 0.00 H new ATOM 0 HG11 VAL A 86 17.239 -6.004 14.907 1.00 0.00 H new ATOM 0 HG12 VAL A 86 18.296 -6.807 16.094 1.00 0.00 H new ATOM 0 HG13 VAL A 86 18.698 -6.865 14.361 1.00 0.00 H new ATOM 0 HG21 VAL A 86 15.801 -7.344 13.409 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.201 -8.261 12.801 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.811 -9.121 13.505 1.00 0.00 H new ATOM 1297 N SER A 87 17.078 -11.310 14.022 1.00 0.00 N ATOM 1298 CA SER A 87 16.285 -12.524 13.865 1.00 0.00 C ATOM 1299 C SER A 87 17.000 -13.723 14.479 1.00 0.00 C ATOM 1300 O SER A 87 16.368 -14.709 14.859 1.00 0.00 O ATOM 1301 CB SER A 87 16.002 -12.786 12.385 1.00 0.00 C ATOM 1302 OG SER A 87 17.167 -13.236 11.716 1.00 0.00 O ATOM 0 H SER A 87 17.605 -11.041 13.191 1.00 0.00 H new ATOM 0 HA SER A 87 15.339 -12.381 14.388 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.213 -13.531 12.289 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.638 -11.873 11.914 1.00 0.00 H new ATOM 0 HG SER A 87 17.935 -12.695 11.996 1.00 0.00 H new ATOM 1308 N ASP A 88 18.322 -13.631 14.572 1.00 0.00 N ATOM 1309 CA ASP A 88 19.125 -14.708 15.141 1.00 0.00 C ATOM 1310 C ASP A 88 18.863 -14.849 16.637 1.00 0.00 C ATOM 1311 O ASP A 88 18.749 -15.960 17.155 1.00 0.00 O ATOM 1312 CB ASP A 88 20.612 -14.449 14.893 1.00 0.00 C ATOM 1313 CG ASP A 88 21.230 -15.472 13.960 1.00 0.00 C ATOM 1314 OD1 ASP A 88 20.959 -15.405 12.743 1.00 0.00 O ATOM 1315 OD2 ASP A 88 21.985 -16.340 14.447 1.00 0.00 O ATOM 0 H ASP A 88 18.860 -12.822 14.261 1.00 0.00 H new ATOM 0 HA ASP A 88 18.839 -15.639 14.651 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.739 -13.452 14.470 1.00 0.00 H new ATOM 0 HB3 ASP A 88 21.144 -14.461 15.844 1.00 0.00 H new ATOM 1320 N VAL A 89 18.771 -13.717 17.326 1.00 0.00 N ATOM 1321 CA VAL A 89 18.523 -13.714 18.763 1.00 0.00 C ATOM 1322 C VAL A 89 17.202 -14.399 19.094 1.00 0.00 C ATOM 1323 O VAL A 89 17.018 -14.917 20.196 1.00 0.00 O ATOM 1324 CB VAL A 89 18.500 -12.281 19.326 1.00 0.00 C ATOM 1325 CG1 VAL A 89 18.304 -12.302 20.834 1.00 0.00 C ATOM 1326 CG2 VAL A 89 19.778 -11.543 18.957 1.00 0.00 C ATOM 0 H VAL A 89 18.864 -12.789 16.912 1.00 0.00 H new ATOM 0 HA VAL A 89 19.341 -14.265 19.226 1.00 0.00 H new ATOM 0 HB VAL A 89 17.659 -11.749 18.882 1.00 0.00 H new ATOM 0 HG11 VAL A 89 18.290 -11.280 21.213 1.00 0.00 H new ATOM 0 HG12 VAL A 89 17.359 -12.790 21.071 1.00 0.00 H new ATOM 0 HG13 VAL A 89 19.122 -12.851 21.300 1.00 0.00 H new ATOM 0 HG21 VAL A 89 19.744 -10.532 19.363 1.00 0.00 H new ATOM 0 HG22 VAL A 89 20.636 -12.072 19.371 1.00 0.00 H new ATOM 0 HG23 VAL A 89 19.870 -11.495 17.872 1.00 0.00 H new ATOM 1336 N ILE A 90 16.285 -14.400 18.132 1.00 0.00 N ATOM 1337 CA ILE A 90 14.981 -15.023 18.321 1.00 0.00 C ATOM 1338 C ILE A 90 15.118 -16.522 18.565 1.00 0.00 C ATOM 1339 O ILE A 90 14.475 -17.079 19.455 1.00 0.00 O ATOM 1340 CB ILE A 90 14.066 -14.795 17.103 1.00 0.00 C ATOM 1341 CG1 ILE A 90 14.004 -13.306 16.757 1.00 0.00 C ATOM 1342 CG2 ILE A 90 12.672 -15.339 17.378 1.00 0.00 C ATOM 1343 CD1 ILE A 90 13.123 -12.999 15.566 1.00 0.00 C ATOM 0 H ILE A 90 16.421 -13.976 17.214 1.00 0.00 H new ATOM 0 HA ILE A 90 14.532 -14.554 19.196 1.00 0.00 H new ATOM 0 HB ILE A 90 14.481 -15.331 16.249 1.00 0.00 H new ATOM 0 HG12 ILE A 90 13.636 -12.755 17.623 1.00 0.00 H new ATOM 0 HG13 ILE A 90 15.013 -12.946 16.555 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.037 -15.170 16.508 1.00 0.00 H new ATOM 0 HG22 ILE A 90 12.732 -16.408 17.581 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.246 -14.829 18.242 1.00 0.00 H new ATOM 0 HD11 ILE A 90 13.126 -11.925 15.378 1.00 0.00 H new ATOM 0 HD12 ILE A 90 13.503 -13.522 14.688 1.00 0.00 H new ATOM 0 HD13 ILE A 90 12.105 -13.328 15.772 1.00 0.00 H new ATOM 1355 N LYS A 91 15.964 -17.170 17.771 1.00 0.00 N ATOM 1356 CA LYS A 91 16.190 -18.605 17.902 1.00 0.00 C ATOM 1357 C LYS A 91 17.355 -18.888 18.844 1.00 0.00 C ATOM 1358 O LYS A 91 17.475 -19.988 19.385 1.00 0.00 O ATOM 1359 CB LYS A 91 16.466 -19.226 16.530 1.00 0.00 C ATOM 1360 CG LYS A 91 17.849 -18.910 15.988 1.00 0.00 C ATOM 1361 CD LYS A 91 17.785 -18.413 14.553 1.00 0.00 C ATOM 1362 CE LYS A 91 18.959 -18.926 13.733 1.00 0.00 C ATOM 1363 NZ LYS A 91 19.041 -18.258 12.404 1.00 0.00 N ATOM 0 H LYS A 91 16.505 -16.724 17.030 1.00 0.00 H new ATOM 0 HA LYS A 91 15.289 -19.053 18.322 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.350 -20.308 16.600 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.717 -18.871 15.822 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.323 -18.155 16.615 1.00 0.00 H new ATOM 0 HG3 LYS A 91 18.473 -19.802 16.038 1.00 0.00 H new ATOM 0 HD2 LYS A 91 16.851 -18.738 14.096 1.00 0.00 H new ATOM 0 HD3 LYS A 91 17.782 -17.323 14.544 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.886 -18.759 14.282 1.00 0.00 H new ATOM 0 HE3 LYS A 91 18.861 -20.003 13.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 19.854 -18.635 11.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 18.167 -18.439 11.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 19.160 -17.233 12.537 1.00 0.00 H new ATOM 1377 N ARG A 92 18.211 -17.890 19.037 1.00 0.00 N ATOM 1378 CA ARG A 92 19.366 -18.032 19.915 1.00 0.00 C ATOM 1379 C ARG A 92 18.943 -18.005 21.380 1.00 0.00 C ATOM 1380 O ARG A 92 19.192 -18.952 22.125 1.00 0.00 O ATOM 1381 CB ARG A 92 20.379 -16.918 19.645 1.00 0.00 C ATOM 1382 CG ARG A 92 21.772 -17.219 20.174 1.00 0.00 C ATOM 1383 CD ARG A 92 22.672 -17.781 19.085 1.00 0.00 C ATOM 1384 NE ARG A 92 23.597 -18.785 19.604 1.00 0.00 N ATOM 1385 CZ ARG A 92 24.702 -19.162 18.971 1.00 0.00 C ATOM 1386 NH1 ARG A 92 25.019 -18.621 17.803 1.00 0.00 N ATOM 1387 NH2 ARG A 92 25.494 -20.083 19.507 1.00 0.00 N ATOM 0 H ARG A 92 18.126 -16.974 18.597 1.00 0.00 H new ATOM 0 HA ARG A 92 19.831 -18.995 19.707 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.437 -16.744 18.570 1.00 0.00 H new ATOM 0 HB3 ARG A 92 20.019 -15.994 20.098 1.00 0.00 H new ATOM 0 HG2 ARG A 92 22.214 -16.308 20.578 1.00 0.00 H new ATOM 0 HG3 ARG A 92 21.704 -17.932 20.996 1.00 0.00 H new ATOM 0 HD2 ARG A 92 22.059 -18.224 18.301 1.00 0.00 H new ATOM 0 HD3 ARG A 92 23.237 -16.969 18.627 1.00 0.00 H new ATOM 0 HE ARG A 92 23.383 -19.220 20.501 1.00 0.00 H new ATOM 0 HH11 ARG A 92 24.414 -17.913 17.388 1.00 0.00 H new ATOM 0 HH12 ARG A 92 25.868 -18.913 17.320 1.00 0.00 H new ATOM 0 HH21 ARG A 92 25.254 -20.502 20.406 1.00 0.00 H new ATOM 0 HH22 ARG A 92 26.342 -20.372 19.020 1.00 0.00 H new ATOM 1401 N GLU A 93 18.302 -16.913 21.786 1.00 0.00 N ATOM 1402 CA GLU A 93 17.845 -16.763 23.162 1.00 0.00 C ATOM 1403 C GLU A 93 16.333 -16.948 23.257 1.00 0.00 C ATOM 1404 O GLU A 93 15.600 -16.643 22.317 1.00 0.00 O ATOM 1405 CB GLU A 93 18.237 -15.387 23.706 1.00 0.00 C ATOM 1406 CG GLU A 93 19.668 -14.991 23.384 1.00 0.00 C ATOM 1407 CD GLU A 93 20.687 -15.872 24.080 1.00 0.00 C ATOM 1408 OE1 GLU A 93 20.296 -16.618 25.002 1.00 0.00 O ATOM 1409 OE2 GLU A 93 21.876 -15.815 23.703 1.00 0.00 O ATOM 0 H GLU A 93 18.088 -16.120 21.181 1.00 0.00 H new ATOM 0 HA GLU A 93 18.326 -17.534 23.764 1.00 0.00 H new ATOM 0 HB2 GLU A 93 17.560 -14.637 23.296 1.00 0.00 H new ATOM 0 HB3 GLU A 93 18.102 -15.381 24.788 1.00 0.00 H new ATOM 0 HG2 GLU A 93 19.822 -15.045 22.306 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.829 -13.954 23.678 1.00 0.00 H new ATOM 1416 N SER A 94 15.875 -17.451 24.399 1.00 0.00 N ATOM 1417 CA SER A 94 14.452 -17.682 24.617 1.00 0.00 C ATOM 1418 C SER A 94 13.689 -16.361 24.666 1.00 0.00 C ATOM 1419 O SER A 94 12.581 -16.250 24.139 1.00 0.00 O ATOM 1420 CB SER A 94 14.232 -18.459 25.916 1.00 0.00 C ATOM 1421 OG SER A 94 13.529 -19.666 25.675 1.00 0.00 O ATOM 0 H SER A 94 16.469 -17.706 25.188 1.00 0.00 H new ATOM 0 HA SER A 94 14.073 -18.271 23.782 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.194 -18.681 26.378 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.674 -17.844 26.621 1.00 0.00 H new ATOM 0 HG SER A 94 13.402 -20.145 26.520 1.00 0.00 H new ATOM 1427 N THR A 95 14.290 -15.361 25.302 1.00 0.00 N ATOM 1428 CA THR A 95 13.669 -14.048 25.422 1.00 0.00 C ATOM 1429 C THR A 95 14.191 -13.093 24.354 1.00 0.00 C ATOM 1430 O THR A 95 15.145 -13.405 23.641 1.00 0.00 O ATOM 1431 CB THR A 95 13.919 -13.433 26.812 1.00 0.00 C ATOM 1432 OG1 THR A 95 14.150 -14.469 27.772 1.00 0.00 O ATOM 1433 CG2 THR A 95 12.735 -12.584 27.249 1.00 0.00 C ATOM 0 H THR A 95 15.207 -15.435 25.742 1.00 0.00 H new ATOM 0 HA THR A 95 12.597 -14.191 25.284 1.00 0.00 H new ATOM 0 HB THR A 95 14.800 -12.794 26.749 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.310 -14.069 28.652 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.935 -12.160 28.233 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.581 -11.778 26.532 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.840 -13.204 27.296 1.00 0.00 H new ATOM 1441 N LEU A 96 13.560 -11.928 24.250 1.00 0.00 N ATOM 1442 CA LEU A 96 13.962 -10.926 23.269 1.00 0.00 C ATOM 1443 C LEU A 96 13.925 -9.527 23.874 1.00 0.00 C ATOM 1444 O LEU A 96 12.883 -8.873 23.888 1.00 0.00 O ATOM 1445 CB LEU A 96 13.049 -10.989 22.043 1.00 0.00 C ATOM 1446 CG LEU A 96 13.138 -12.264 21.204 1.00 0.00 C ATOM 1447 CD1 LEU A 96 12.200 -12.184 20.010 1.00 0.00 C ATOM 1448 CD2 LEU A 96 14.570 -12.501 20.745 1.00 0.00 C ATOM 0 H LEU A 96 12.769 -11.654 24.833 1.00 0.00 H new ATOM 0 HA LEU A 96 14.986 -11.142 22.963 1.00 0.00 H new ATOM 0 HB2 LEU A 96 12.018 -10.869 22.376 1.00 0.00 H new ATOM 0 HB3 LEU A 96 13.278 -10.139 21.401 1.00 0.00 H new ATOM 0 HG LEU A 96 12.832 -13.106 21.824 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.277 -13.100 19.425 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.175 -12.062 20.360 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.475 -11.332 19.388 1.00 0.00 H new ATOM 0 HD21 LEU A 96 14.615 -13.413 20.149 1.00 0.00 H new ATOM 0 HD22 LEU A 96 14.903 -11.656 20.142 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.219 -12.604 21.615 1.00 0.00 H new ATOM 1460 N ASN A 97 15.071 -9.072 24.370 1.00 0.00 N ATOM 1461 CA ASN A 97 15.170 -7.748 24.975 1.00 0.00 C ATOM 1462 C ASN A 97 15.649 -6.719 23.956 1.00 0.00 C ATOM 1463 O ASN A 97 16.793 -6.268 24.005 1.00 0.00 O ATOM 1464 CB ASN A 97 16.124 -7.781 26.171 1.00 0.00 C ATOM 1465 CG ASN A 97 15.538 -8.519 27.359 1.00 0.00 C ATOM 1466 OD1 ASN A 97 14.718 -7.975 28.099 1.00 0.00 O ATOM 1467 ND2 ASN A 97 15.956 -9.766 27.546 1.00 0.00 N ATOM 0 H ASN A 97 15.944 -9.600 24.365 1.00 0.00 H new ATOM 0 HA ASN A 97 14.177 -7.458 25.319 1.00 0.00 H new ATOM 0 HB2 ASN A 97 17.057 -8.259 25.874 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.368 -6.760 26.465 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.596 -10.313 28.328 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.637 -10.177 26.907 1.00 0.00 H new ATOM 1474 N MET A 98 14.765 -6.352 23.034 1.00 0.00 N ATOM 1475 CA MET A 98 15.097 -5.374 22.004 1.00 0.00 C ATOM 1476 C MET A 98 15.004 -3.954 22.553 1.00 0.00 C ATOM 1477 O MET A 98 14.346 -3.710 23.564 1.00 0.00 O ATOM 1478 CB MET A 98 14.165 -5.531 20.802 1.00 0.00 C ATOM 1479 CG MET A 98 13.928 -6.978 20.401 1.00 0.00 C ATOM 1480 SD MET A 98 13.493 -7.155 18.660 1.00 0.00 S ATOM 1481 CE MET A 98 12.745 -8.782 18.661 1.00 0.00 C ATOM 0 H MET A 98 13.814 -6.717 22.979 1.00 0.00 H new ATOM 0 HA MET A 98 16.123 -5.554 21.684 1.00 0.00 H new ATOM 0 HB2 MET A 98 13.207 -5.065 21.032 1.00 0.00 H new ATOM 0 HB3 MET A 98 14.586 -4.992 19.953 1.00 0.00 H new ATOM 0 HG2 MET A 98 14.826 -7.560 20.608 1.00 0.00 H new ATOM 0 HG3 MET A 98 13.130 -7.395 21.015 1.00 0.00 H new ATOM 0 HE1 MET A 98 12.177 -8.922 17.741 1.00 0.00 H new ATOM 0 HE2 MET A 98 13.525 -9.541 18.725 1.00 0.00 H new ATOM 0 HE3 MET A 98 12.077 -8.875 19.518 1.00 0.00 H new ATOM 1491 N VAL A 99 15.667 -3.019 21.879 1.00 0.00 N ATOM 1492 CA VAL A 99 15.658 -1.623 22.299 1.00 0.00 C ATOM 1493 C VAL A 99 15.443 -0.693 21.110 1.00 0.00 C ATOM 1494 O VAL A 99 16.384 -0.359 20.391 1.00 0.00 O ATOM 1495 CB VAL A 99 16.973 -1.240 23.004 1.00 0.00 C ATOM 1496 CG1 VAL A 99 16.920 0.201 23.488 1.00 0.00 C ATOM 1497 CG2 VAL A 99 17.254 -2.190 24.159 1.00 0.00 C ATOM 0 H VAL A 99 16.217 -3.203 21.040 1.00 0.00 H new ATOM 0 HA VAL A 99 14.832 -1.509 23.001 1.00 0.00 H new ATOM 0 HB VAL A 99 17.789 -1.326 22.286 1.00 0.00 H new ATOM 0 HG11 VAL A 99 17.858 0.453 23.983 1.00 0.00 H new ATOM 0 HG12 VAL A 99 16.769 0.865 22.637 1.00 0.00 H new ATOM 0 HG13 VAL A 99 16.095 0.319 24.191 1.00 0.00 H new ATOM 0 HG21 VAL A 99 18.187 -1.905 24.646 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.438 -2.138 24.880 1.00 0.00 H new ATOM 0 HG23 VAL A 99 17.339 -3.208 23.780 1.00 0.00 H new ATOM 1507 N VAL A 100 14.196 -0.277 20.909 1.00 0.00 N ATOM 1508 CA VAL A 100 13.856 0.616 19.808 1.00 0.00 C ATOM 1509 C VAL A 100 13.696 2.052 20.295 1.00 0.00 C ATOM 1510 O VAL A 100 13.348 2.291 21.451 1.00 0.00 O ATOM 1511 CB VAL A 100 12.557 0.174 19.108 1.00 0.00 C ATOM 1512 CG1 VAL A 100 11.364 0.354 20.034 1.00 0.00 C ATOM 1513 CG2 VAL A 100 12.360 0.950 17.814 1.00 0.00 C ATOM 0 H VAL A 100 13.405 -0.544 21.495 1.00 0.00 H new ATOM 0 HA VAL A 100 14.679 0.567 19.094 1.00 0.00 H new ATOM 0 HB VAL A 100 12.639 -0.885 18.862 1.00 0.00 H new ATOM 0 HG11 VAL A 100 10.455 0.037 19.523 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.505 -0.249 20.931 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.275 1.404 20.313 1.00 0.00 H new ATOM 0 HG21 VAL A 100 11.438 0.626 17.332 1.00 0.00 H new ATOM 0 HG22 VAL A 100 12.299 2.016 18.035 1.00 0.00 H new ATOM 0 HG23 VAL A 100 13.202 0.765 17.147 1.00 0.00 H new ATOM 1523 N ARG A 101 13.951 3.004 19.404 1.00 0.00 N ATOM 1524 CA ARG A 101 13.836 4.418 19.743 1.00 0.00 C ATOM 1525 C ARG A 101 12.463 4.959 19.356 1.00 0.00 C ATOM 1526 O ARG A 101 12.103 4.981 18.179 1.00 0.00 O ATOM 1527 CB ARG A 101 14.930 5.223 19.041 1.00 0.00 C ATOM 1528 CG ARG A 101 16.306 5.053 19.664 1.00 0.00 C ATOM 1529 CD ARG A 101 16.452 5.886 20.928 1.00 0.00 C ATOM 1530 NE ARG A 101 17.845 6.232 21.198 1.00 0.00 N ATOM 1531 CZ ARG A 101 18.214 7.239 21.982 1.00 0.00 C ATOM 1532 NH1 ARG A 101 17.297 7.995 22.571 1.00 0.00 N ATOM 1533 NH2 ARG A 101 19.501 7.491 22.179 1.00 0.00 N ATOM 0 H ARG A 101 14.238 2.823 18.442 1.00 0.00 H new ATOM 0 HA ARG A 101 13.956 4.519 20.822 1.00 0.00 H new ATOM 0 HB2 ARG A 101 14.975 4.923 17.994 1.00 0.00 H new ATOM 0 HB3 ARG A 101 14.660 6.279 19.059 1.00 0.00 H new ATOM 0 HG2 ARG A 101 16.473 4.002 19.898 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.071 5.345 18.944 1.00 0.00 H new ATOM 0 HD2 ARG A 101 15.864 6.799 20.830 1.00 0.00 H new ATOM 0 HD3 ARG A 101 16.045 5.334 21.775 1.00 0.00 H new ATOM 0 HE ARG A 101 18.575 5.669 20.761 1.00 0.00 H new ATOM 0 HH11 ARG A 101 16.306 7.804 22.422 1.00 0.00 H new ATOM 0 HH12 ARG A 101 17.583 8.768 23.173 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.209 6.911 21.728 1.00 0.00 H new ATOM 0 HH22 ARG A 101 19.783 8.265 22.781 1.00 0.00 H new ATOM 1547 N ARG A 102 11.701 5.395 20.354 1.00 0.00 N ATOM 1548 CA ARG A 102 10.367 5.935 20.118 1.00 0.00 C ATOM 1549 C ARG A 102 10.255 7.359 20.653 1.00 0.00 C ATOM 1550 O ARG A 102 10.439 7.602 21.845 1.00 0.00 O ATOM 1551 CB ARG A 102 9.310 5.046 20.776 1.00 0.00 C ATOM 1552 CG ARG A 102 8.284 4.495 19.800 1.00 0.00 C ATOM 1553 CD ARG A 102 7.683 3.191 20.301 1.00 0.00 C ATOM 1554 NE ARG A 102 8.250 2.030 19.619 1.00 0.00 N ATOM 1555 CZ ARG A 102 7.873 0.780 19.861 1.00 0.00 C ATOM 1556 NH1 ARG A 102 6.933 0.530 20.763 1.00 0.00 N ATOM 1557 NH2 ARG A 102 8.435 -0.224 19.200 1.00 0.00 N ATOM 0 H ARG A 102 11.985 5.385 21.334 1.00 0.00 H new ATOM 0 HA ARG A 102 10.195 5.955 19.042 1.00 0.00 H new ATOM 0 HB2 ARG A 102 9.807 4.214 21.276 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.795 5.619 21.547 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.492 5.228 19.651 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.754 4.331 18.830 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.855 3.101 21.374 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.603 3.208 20.151 1.00 0.00 H new ATOM 0 HE ARG A 102 8.975 2.188 18.919 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.498 1.299 21.273 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.645 -0.431 20.947 1.00 0.00 H new ATOM 0 HH21 ARG A 102 9.158 -0.036 18.505 1.00 0.00 H new ATOM 0 HH22 ARG A 102 8.144 -1.184 19.387 1.00 0.00 H new ATOM 1571 N GLY A 103 9.951 8.299 19.762 1.00 0.00 N ATOM 1572 CA GLY A 103 9.820 9.687 20.163 1.00 0.00 C ATOM 1573 C GLY A 103 11.163 10.371 20.331 1.00 0.00 C ATOM 1574 O GLY A 103 11.658 11.015 19.407 1.00 0.00 O ATOM 0 H GLY A 103 9.793 8.123 18.770 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.233 10.224 19.418 1.00 0.00 H new ATOM 0 HA3 GLY A 103 9.269 9.740 21.102 1.00 0.00 H new ATOM 1578 N ASN A 104 11.752 10.233 21.514 1.00 0.00 N ATOM 1579 CA ASN A 104 13.044 10.846 21.801 1.00 0.00 C ATOM 1580 C ASN A 104 13.756 10.109 22.931 1.00 0.00 C ATOM 1581 O ASN A 104 14.414 10.726 23.769 1.00 0.00 O ATOM 1582 CB ASN A 104 12.863 12.319 22.171 1.00 0.00 C ATOM 1583 CG ASN A 104 12.519 13.179 20.970 1.00 0.00 C ATOM 1584 OD1 ASN A 104 11.402 13.682 20.853 1.00 0.00 O ATOM 1585 ND2 ASN A 104 13.481 13.351 20.071 1.00 0.00 N ATOM 0 H ASN A 104 11.355 9.702 22.290 1.00 0.00 H new ATOM 0 HA ASN A 104 13.658 10.778 20.903 1.00 0.00 H new ATOM 0 HB2 ASN A 104 12.073 12.409 22.917 1.00 0.00 H new ATOM 0 HB3 ASN A 104 13.779 12.691 22.630 1.00 0.00 H new ATOM 0 HD21 ASN A 104 13.309 13.920 19.242 1.00 0.00 H new ATOM 0 HD22 ASN A 104 14.392 12.915 20.210 1.00 0.00 H new ATOM 1592 N GLU A 105 13.620 8.787 22.947 1.00 0.00 N ATOM 1593 CA GLU A 105 14.251 7.967 23.975 1.00 0.00 C ATOM 1594 C GLU A 105 14.353 6.513 23.524 1.00 0.00 C ATOM 1595 O GLU A 105 13.910 6.158 22.432 1.00 0.00 O ATOM 1596 CB GLU A 105 13.461 8.053 25.283 1.00 0.00 C ATOM 1597 CG GLU A 105 11.959 7.916 25.097 1.00 0.00 C ATOM 1598 CD GLU A 105 11.219 7.774 26.413 1.00 0.00 C ATOM 1599 OE1 GLU A 105 11.637 8.416 27.399 1.00 0.00 O ATOM 1600 OE2 GLU A 105 10.223 7.022 26.456 1.00 0.00 O ATOM 0 H GLU A 105 13.079 8.261 22.261 1.00 0.00 H new ATOM 0 HA GLU A 105 15.258 8.349 24.141 1.00 0.00 H new ATOM 0 HB2 GLU A 105 13.808 7.271 25.959 1.00 0.00 H new ATOM 0 HB3 GLU A 105 13.673 9.008 25.764 1.00 0.00 H new ATOM 0 HG2 GLU A 105 11.581 8.789 24.564 1.00 0.00 H new ATOM 0 HG3 GLU A 105 11.752 7.047 24.472 1.00 0.00 H new ATOM 1607 N ASP A 106 14.942 5.677 24.372 1.00 0.00 N ATOM 1608 CA ASP A 106 15.103 4.261 24.063 1.00 0.00 C ATOM 1609 C ASP A 106 14.140 3.412 24.886 1.00 0.00 C ATOM 1610 O ASP A 106 14.170 3.440 26.117 1.00 0.00 O ATOM 1611 CB ASP A 106 16.544 3.820 24.325 1.00 0.00 C ATOM 1612 CG ASP A 106 16.932 3.950 25.784 1.00 0.00 C ATOM 1613 OD1 ASP A 106 17.307 5.066 26.202 1.00 0.00 O ATOM 1614 OD2 ASP A 106 16.861 2.936 26.509 1.00 0.00 O ATOM 0 H ASP A 106 15.316 5.956 25.279 1.00 0.00 H new ATOM 0 HA ASP A 106 14.874 4.117 23.007 1.00 0.00 H new ATOM 0 HB2 ASP A 106 16.667 2.784 24.010 1.00 0.00 H new ATOM 0 HB3 ASP A 106 17.221 4.420 23.717 1.00 0.00 H new ATOM 1619 N ILE A 107 13.287 2.659 24.200 1.00 0.00 N ATOM 1620 CA ILE A 107 12.316 1.802 24.868 1.00 0.00 C ATOM 1621 C ILE A 107 12.650 0.328 24.663 1.00 0.00 C ATOM 1622 O ILE A 107 13.080 -0.076 23.583 1.00 0.00 O ATOM 1623 CB ILE A 107 10.887 2.069 24.361 1.00 0.00 C ATOM 1624 CG1 ILE A 107 10.550 3.557 24.478 1.00 0.00 C ATOM 1625 CG2 ILE A 107 9.883 1.230 25.139 1.00 0.00 C ATOM 1626 CD1 ILE A 107 9.228 3.929 23.844 1.00 0.00 C ATOM 0 H ILE A 107 13.249 2.625 23.181 1.00 0.00 H new ATOM 0 HA ILE A 107 12.365 2.038 25.931 1.00 0.00 H new ATOM 0 HB ILE A 107 10.832 1.785 23.310 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.529 3.835 25.532 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.344 4.139 24.011 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.877 1.430 24.769 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.114 0.173 25.009 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.938 1.486 26.197 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.055 4.998 23.965 1.00 0.00 H new ATOM 0 HD12 ILE A 107 9.252 3.683 22.782 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.424 3.374 24.327 1.00 0.00 H new ATOM 1638 N MET A 108 12.447 -0.470 25.706 1.00 0.00 N ATOM 1639 CA MET A 108 12.723 -1.900 25.638 1.00 0.00 C ATOM 1640 C MET A 108 11.492 -2.670 25.173 1.00 0.00 C ATOM 1641 O MET A 108 10.366 -2.349 25.554 1.00 0.00 O ATOM 1642 CB MET A 108 13.177 -2.419 27.004 1.00 0.00 C ATOM 1643 CG MET A 108 14.544 -1.904 27.426 1.00 0.00 C ATOM 1644 SD MET A 108 15.335 -2.961 28.654 1.00 0.00 S ATOM 1645 CE MET A 108 16.763 -3.535 27.738 1.00 0.00 C ATOM 0 H MET A 108 12.093 -0.151 26.608 1.00 0.00 H new ATOM 0 HA MET A 108 13.522 -2.056 24.914 1.00 0.00 H new ATOM 0 HB2 MET A 108 12.442 -2.132 27.755 1.00 0.00 H new ATOM 0 HB3 MET A 108 13.200 -3.509 26.980 1.00 0.00 H new ATOM 0 HG2 MET A 108 15.187 -1.829 26.549 1.00 0.00 H new ATOM 0 HG3 MET A 108 14.440 -0.898 27.832 1.00 0.00 H new ATOM 0 HE1 MET A 108 17.354 -4.202 28.366 1.00 0.00 H new ATOM 0 HE2 MET A 108 16.433 -4.072 26.849 1.00 0.00 H new ATOM 0 HE3 MET A 108 17.372 -2.681 27.441 1.00 0.00 H new ATOM 1655 N ILE A 109 11.713 -3.688 24.347 1.00 0.00 N ATOM 1656 CA ILE A 109 10.620 -4.503 23.831 1.00 0.00 C ATOM 1657 C ILE A 109 10.839 -5.979 24.148 1.00 0.00 C ATOM 1658 O ILE A 109 11.576 -6.674 23.447 1.00 0.00 O ATOM 1659 CB ILE A 109 10.463 -4.335 22.308 1.00 0.00 C ATOM 1660 CG1 ILE A 109 10.304 -2.856 21.950 1.00 0.00 C ATOM 1661 CG2 ILE A 109 9.272 -5.138 21.807 1.00 0.00 C ATOM 1662 CD1 ILE A 109 9.096 -2.206 22.588 1.00 0.00 C ATOM 0 H ILE A 109 12.638 -3.968 24.021 1.00 0.00 H new ATOM 0 HA ILE A 109 9.710 -4.159 24.322 1.00 0.00 H new ATOM 0 HB ILE A 109 11.362 -4.713 21.821 1.00 0.00 H new ATOM 0 HG12 ILE A 109 11.201 -2.318 22.257 1.00 0.00 H new ATOM 0 HG13 ILE A 109 10.229 -2.759 20.867 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.174 -5.009 20.729 1.00 0.00 H new ATOM 0 HG22 ILE A 109 9.423 -6.193 22.034 1.00 0.00 H new ATOM 0 HG23 ILE A 109 8.364 -4.788 22.298 1.00 0.00 H new ATOM 0 HD11 ILE A 109 9.047 -1.159 22.290 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.192 -2.719 22.261 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.178 -2.271 23.673 1.00 0.00 H new ATOM 1674 N THR A 110 10.192 -6.453 25.208 1.00 0.00 N ATOM 1675 CA THR A 110 10.315 -7.846 25.618 1.00 0.00 C ATOM 1676 C THR A 110 9.357 -8.736 24.835 1.00 0.00 C ATOM 1677 O THR A 110 8.138 -8.610 24.955 1.00 0.00 O ATOM 1678 CB THR A 110 10.039 -8.014 27.124 1.00 0.00 C ATOM 1679 OG1 THR A 110 10.738 -7.008 27.866 1.00 0.00 O ATOM 1680 CG2 THR A 110 10.468 -9.393 27.602 1.00 0.00 C ATOM 0 H THR A 110 9.577 -5.892 25.798 1.00 0.00 H new ATOM 0 HA THR A 110 11.341 -8.148 25.408 1.00 0.00 H new ATOM 0 HB THR A 110 8.967 -7.907 27.288 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.556 -7.121 28.822 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.263 -9.488 28.668 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.913 -10.156 27.056 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.535 -9.524 27.424 1.00 0.00 H new ATOM 1688 N VAL A 111 9.915 -9.637 24.033 1.00 0.00 N ATOM 1689 CA VAL A 111 9.109 -10.550 23.232 1.00 0.00 C ATOM 1690 C VAL A 111 9.475 -12.002 23.518 1.00 0.00 C ATOM 1691 O VAL A 111 10.647 -12.332 23.704 1.00 0.00 O ATOM 1692 CB VAL A 111 9.281 -10.276 21.726 1.00 0.00 C ATOM 1693 CG1 VAL A 111 8.511 -11.300 20.905 1.00 0.00 C ATOM 1694 CG2 VAL A 111 8.833 -8.863 21.387 1.00 0.00 C ATOM 0 H VAL A 111 10.922 -9.754 23.921 1.00 0.00 H new ATOM 0 HA VAL A 111 8.069 -10.380 23.509 1.00 0.00 H new ATOM 0 HB VAL A 111 10.338 -10.367 21.477 1.00 0.00 H new ATOM 0 HG11 VAL A 111 8.644 -11.090 19.844 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.885 -12.300 21.127 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.452 -11.245 21.155 1.00 0.00 H new ATOM 0 HG21 VAL A 111 8.962 -8.687 20.319 1.00 0.00 H new ATOM 0 HG22 VAL A 111 7.782 -8.741 21.651 1.00 0.00 H new ATOM 0 HG23 VAL A 111 9.433 -8.147 21.948 1.00 0.00 H new ATOM 1704 N ILE A 112 8.466 -12.866 23.552 1.00 0.00 N ATOM 1705 CA ILE A 112 8.682 -14.283 23.814 1.00 0.00 C ATOM 1706 C ILE A 112 8.382 -15.123 22.577 1.00 0.00 C ATOM 1707 O ILE A 112 7.268 -15.606 22.379 1.00 0.00 O ATOM 1708 CB ILE A 112 7.809 -14.779 24.981 1.00 0.00 C ATOM 1709 CG1 ILE A 112 7.953 -13.848 26.186 1.00 0.00 C ATOM 1710 CG2 ILE A 112 8.188 -16.204 25.358 1.00 0.00 C ATOM 1711 CD1 ILE A 112 9.379 -13.693 26.664 1.00 0.00 C ATOM 0 H ILE A 112 7.490 -12.609 23.401 1.00 0.00 H new ATOM 0 HA ILE A 112 9.732 -14.398 24.082 1.00 0.00 H new ATOM 0 HB ILE A 112 6.766 -14.773 24.663 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.557 -12.866 25.926 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.344 -14.230 27.005 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.562 -16.540 26.184 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.039 -16.859 24.500 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.235 -16.234 25.660 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.404 -13.019 27.520 1.00 0.00 H new ATOM 0 HD12 ILE A 112 9.773 -14.667 26.956 1.00 0.00 H new ATOM 0 HD13 ILE A 112 9.989 -13.281 25.860 1.00 0.00 H new ATOM 1723 N PRO A 113 9.401 -15.303 21.723 1.00 0.00 N ATOM 1724 CA PRO A 113 9.272 -16.087 20.491 1.00 0.00 C ATOM 1725 C PRO A 113 9.111 -17.578 20.767 1.00 0.00 C ATOM 1726 O PRO A 113 9.874 -18.162 21.536 1.00 0.00 O ATOM 1727 CB PRO A 113 10.590 -15.818 19.760 1.00 0.00 C ATOM 1728 CG PRO A 113 11.556 -15.467 20.837 1.00 0.00 C ATOM 1729 CD PRO A 113 10.757 -14.756 21.895 1.00 0.00 C ATOM 0 HA PRO A 113 8.387 -15.806 19.920 1.00 0.00 H new ATOM 0 HB2 PRO A 113 10.920 -16.695 19.203 1.00 0.00 H new ATOM 0 HB3 PRO A 113 10.485 -15.005 19.042 1.00 0.00 H new ATOM 0 HG2 PRO A 113 12.031 -16.361 21.242 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.352 -14.828 20.454 1.00 0.00 H new ATOM 0 HD2 PRO A 113 11.147 -14.954 22.894 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.775 -13.675 21.754 1.00 0.00 H new ATOM 1737 N GLU A 114 8.114 -18.188 20.134 1.00 0.00 N ATOM 1738 CA GLU A 114 7.854 -19.612 20.312 1.00 0.00 C ATOM 1739 C GLU A 114 8.622 -20.439 19.285 1.00 0.00 C ATOM 1740 O GLU A 114 8.756 -20.040 18.129 1.00 0.00 O ATOM 1741 CB GLU A 114 6.355 -19.898 20.196 1.00 0.00 C ATOM 1742 CG GLU A 114 5.489 -18.940 20.996 1.00 0.00 C ATOM 1743 CD GLU A 114 4.105 -19.496 21.271 1.00 0.00 C ATOM 1744 OE1 GLU A 114 3.601 -20.274 20.435 1.00 0.00 O ATOM 1745 OE2 GLU A 114 3.526 -19.151 22.323 1.00 0.00 O ATOM 0 H GLU A 114 7.473 -17.719 19.494 1.00 0.00 H new ATOM 0 HA GLU A 114 8.195 -19.895 21.308 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.064 -19.847 19.147 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.161 -20.917 20.532 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.981 -18.715 21.942 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.397 -17.999 20.453 1.00 0.00 H new