USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 623 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 Single : A 20 THR OG1 : rot 180:sc= 0.00061 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.562! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 160:sc= -1.56 USER MOD Single : A 34 LYS NZ :NH3+ -153:sc= 0.148 (180deg=-0.0935) USER MOD Single : A 38 GLN : amide:sc= -0.865 K(o=-0.87,f=-0.13) USER MOD Single : A 40 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.619 K(o=-0.62,f=-3.3!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0294 USER MOD Single : A 56 ASN : amide:sc= 0.175 K(o=0.17,f=-1.5) USER MOD Single : A 57 SER OG : rot -91:sc= 0.937 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -118:sc= -1.07 (180deg=-4.26!) USER MOD Single : A 71 HIS : no HE2:sc= -9.77! C(o=-9.8!,f=-11!) USER MOD Single : A 73 ASN : amide:sc= -0.286 X(o=-0.29,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.1) USER MOD Single : A 78 MET CE :methyl 172:sc= -0.812 (180deg=-0.945) USER MOD Single : A 79 MET CE :methyl 175:sc= 0 (180deg=-0.0384) USER MOD Single : A 80 HIS : no HE2:sc= -13.7! C(o=-14!,f=-16!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.021 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -6.96 K(o=-7,f=-17!) USER MOD ----------------------------------------------------------------- ATOM 169 N ALA A 15 5.783 8.132 13.393 1.00 0.00 N ATOM 170 CA ALA A 15 4.713 7.186 13.126 1.00 0.00 C ATOM 171 C ALA A 15 4.464 7.116 11.618 1.00 0.00 C ATOM 172 O ALA A 15 4.128 8.121 10.994 1.00 0.00 O ATOM 173 CB ALA A 15 3.462 7.596 13.906 1.00 0.00 C ATOM 0 HA ALA A 15 4.992 6.187 13.460 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.659 6.886 13.706 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.684 7.601 14.973 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.150 8.593 13.596 1.00 0.00 H new ATOM 179 N LEU A 16 4.637 5.919 11.077 1.00 0.00 N ATOM 180 CA LEU A 16 4.434 5.705 9.654 1.00 0.00 C ATOM 181 C LEU A 16 2.973 5.330 9.402 1.00 0.00 C ATOM 182 O LEU A 16 2.287 4.850 10.303 1.00 0.00 O ATOM 183 CB LEU A 16 5.434 4.678 9.119 1.00 0.00 C ATOM 184 CG LEU A 16 6.903 4.926 9.470 1.00 0.00 C ATOM 185 CD1 LEU A 16 7.777 3.751 9.029 1.00 0.00 C ATOM 186 CD2 LEU A 16 7.389 6.253 8.886 1.00 0.00 C ATOM 0 H LEU A 16 4.915 5.088 11.598 1.00 0.00 H new ATOM 0 HA LEU A 16 4.627 6.623 9.099 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.152 3.695 9.496 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.342 4.642 8.034 1.00 0.00 H new ATOM 0 HG LEU A 16 6.988 5.001 10.554 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.816 3.952 9.290 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.446 2.842 9.532 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.693 3.620 7.950 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.436 6.405 9.150 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.288 6.232 7.801 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.791 7.069 9.290 1.00 0.00 H new ATOM 198 N PRO A 17 2.527 5.569 8.139 1.00 0.00 N ATOM 199 CA PRO A 17 1.160 5.261 7.757 1.00 0.00 C ATOM 200 C PRO A 17 0.967 3.754 7.577 1.00 0.00 C ATOM 201 O PRO A 17 1.936 2.997 7.566 1.00 0.00 O ATOM 202 CB PRO A 17 0.922 6.047 6.478 1.00 0.00 C ATOM 203 CG PRO A 17 2.301 6.394 5.940 1.00 0.00 C ATOM 204 CD PRO A 17 3.311 6.136 7.046 1.00 0.00 C ATOM 0 HA PRO A 17 0.436 5.542 8.522 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.358 5.457 5.756 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.342 6.948 6.676 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.532 5.789 5.063 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.337 7.437 5.626 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.090 5.447 6.718 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.808 7.057 7.351 1.00 0.00 H new ATOM 212 N VAL A 18 -0.292 3.363 7.441 1.00 0.00 N ATOM 213 CA VAL A 18 -0.624 1.960 7.263 1.00 0.00 C ATOM 214 C VAL A 18 -1.154 1.742 5.844 1.00 0.00 C ATOM 215 O VAL A 18 -2.254 2.183 5.513 1.00 0.00 O ATOM 216 CB VAL A 18 -1.611 1.514 8.344 1.00 0.00 C ATOM 217 CG1 VAL A 18 -2.161 0.118 8.043 1.00 0.00 C ATOM 218 CG2 VAL A 18 -0.965 1.562 9.729 1.00 0.00 C ATOM 0 H VAL A 18 -1.094 3.993 7.451 1.00 0.00 H new ATOM 0 HA VAL A 18 0.265 1.340 7.378 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.449 2.211 8.341 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.860 -0.175 8.827 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.677 0.129 7.083 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.339 -0.597 8.005 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.688 1.240 10.479 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.100 0.899 9.750 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.646 2.581 9.946 1.00 0.00 H new ATOM 228 N LEU A 19 -0.347 1.062 5.043 1.00 0.00 N ATOM 229 CA LEU A 19 -0.720 0.781 3.667 1.00 0.00 C ATOM 230 C LEU A 19 -1.386 -0.594 3.595 1.00 0.00 C ATOM 231 O LEU A 19 -0.726 -1.617 3.770 1.00 0.00 O ATOM 232 CB LEU A 19 0.491 0.927 2.743 1.00 0.00 C ATOM 233 CG LEU A 19 0.207 0.816 1.243 1.00 0.00 C ATOM 234 CD1 LEU A 19 -0.167 2.178 0.654 1.00 0.00 C ATOM 235 CD2 LEU A 19 1.387 0.178 0.508 1.00 0.00 C ATOM 0 H LEU A 19 0.564 0.697 5.321 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.451 1.509 3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.955 1.895 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.222 0.165 3.012 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.652 0.159 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.364 2.071 -0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.060 2.557 1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.656 2.877 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.160 0.111 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.278 0.789 0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.565 -0.821 0.905 1.00 0.00 H new ATOM 247 N THR A 20 -2.686 -0.574 3.337 1.00 0.00 N ATOM 248 CA THR A 20 -3.449 -1.807 3.240 1.00 0.00 C ATOM 249 C THR A 20 -3.273 -2.434 1.856 1.00 0.00 C ATOM 250 O THR A 20 -3.901 -2.002 0.890 1.00 0.00 O ATOM 251 CB THR A 20 -4.905 -1.490 3.583 1.00 0.00 C ATOM 252 OG1 THR A 20 -4.814 -0.573 4.670 1.00 0.00 O ATOM 253 CG2 THR A 20 -5.644 -2.694 4.172 1.00 0.00 C ATOM 0 H THR A 20 -3.230 0.277 3.192 1.00 0.00 H new ATOM 0 HA THR A 20 -3.089 -2.553 3.949 1.00 0.00 H new ATOM 0 HB THR A 20 -5.423 -1.150 2.686 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.715 -0.313 4.955 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.673 -2.415 4.398 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.640 -3.512 3.451 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.146 -3.014 5.087 1.00 0.00 H new ATOM 261 N LEU A 21 -2.417 -3.444 1.803 1.00 0.00 N ATOM 262 CA LEU A 21 -2.151 -4.136 0.553 1.00 0.00 C ATOM 263 C LEU A 21 -3.077 -5.348 0.439 1.00 0.00 C ATOM 264 O LEU A 21 -3.020 -6.257 1.266 1.00 0.00 O ATOM 265 CB LEU A 21 -0.665 -4.483 0.439 1.00 0.00 C ATOM 266 CG LEU A 21 -0.311 -5.597 -0.549 1.00 0.00 C ATOM 267 CD1 LEU A 21 -0.998 -5.372 -1.898 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.205 -5.739 -0.695 1.00 0.00 C ATOM 0 H LEU A 21 -1.898 -3.800 2.606 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.369 -3.488 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.123 -3.582 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.302 -4.771 1.426 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.686 -6.539 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.730 -6.177 -2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.079 -5.359 -1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.675 -4.419 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.429 -6.537 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.625 -4.802 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.643 -5.979 0.274 1.00 0.00 H new ATOM 280 N PHE A 22 -3.908 -5.323 -0.592 1.00 0.00 N ATOM 281 CA PHE A 22 -4.845 -6.409 -0.825 1.00 0.00 C ATOM 282 C PHE A 22 -4.391 -7.284 -1.995 1.00 0.00 C ATOM 283 O PHE A 22 -4.577 -6.921 -3.155 1.00 0.00 O ATOM 284 CB PHE A 22 -6.191 -5.771 -1.174 1.00 0.00 C ATOM 285 CG PHE A 22 -6.863 -5.053 -0.001 1.00 0.00 C ATOM 286 CD1 PHE A 22 -7.405 -5.774 1.017 1.00 0.00 C ATOM 287 CD2 PHE A 22 -6.917 -3.694 0.023 1.00 0.00 C ATOM 288 CE1 PHE A 22 -8.028 -5.108 2.105 1.00 0.00 C ATOM 289 CE2 PHE A 22 -7.540 -3.028 1.112 1.00 0.00 C ATOM 290 CZ PHE A 22 -8.082 -3.749 2.130 1.00 0.00 C ATOM 0 H PHE A 22 -3.952 -4.568 -1.276 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.911 -7.040 0.061 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.044 -5.059 -1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.863 -6.545 -1.546 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.361 -6.853 0.998 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.486 -3.122 -0.785 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.459 -5.680 2.913 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -7.583 -1.949 1.132 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.555 -3.243 2.958 1.00 0.00 H new ATOM 300 N THR A 23 -3.802 -8.420 -1.649 1.00 0.00 N ATOM 301 CA THR A 23 -3.320 -9.349 -2.655 1.00 0.00 C ATOM 302 C THR A 23 -4.056 -10.686 -2.544 1.00 0.00 C ATOM 303 O THR A 23 -4.836 -10.893 -1.616 1.00 0.00 O ATOM 304 CB THR A 23 -1.803 -9.476 -2.494 1.00 0.00 C ATOM 305 OG1 THR A 23 -1.473 -10.652 -3.227 1.00 0.00 O ATOM 306 CG2 THR A 23 -1.393 -9.806 -1.057 1.00 0.00 C ATOM 0 H THR A 23 -3.648 -8.717 -0.685 1.00 0.00 H new ATOM 0 HA THR A 23 -3.526 -8.983 -3.661 1.00 0.00 H new ATOM 0 HB THR A 23 -1.326 -8.546 -2.804 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.507 -10.808 -3.177 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.308 -9.885 -0.997 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.736 -9.015 -0.390 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.843 -10.753 -0.759 1.00 0.00 H new ATOM 314 N LYS A 24 -3.783 -11.557 -3.504 1.00 0.00 N ATOM 315 CA LYS A 24 -4.411 -12.867 -3.526 1.00 0.00 C ATOM 316 C LYS A 24 -3.476 -13.864 -4.215 1.00 0.00 C ATOM 317 O LYS A 24 -2.341 -13.527 -4.549 1.00 0.00 O ATOM 318 CB LYS A 24 -5.800 -12.786 -4.162 1.00 0.00 C ATOM 319 CG LYS A 24 -5.725 -12.188 -5.568 1.00 0.00 C ATOM 320 CD LYS A 24 -6.815 -12.769 -6.471 1.00 0.00 C ATOM 321 CE LYS A 24 -6.205 -13.584 -7.612 1.00 0.00 C ATOM 322 NZ LYS A 24 -7.267 -14.115 -8.496 1.00 0.00 N ATOM 0 H LYS A 24 -3.135 -11.381 -4.272 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.572 -13.229 -2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.241 -13.782 -4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.455 -12.177 -3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.833 -11.105 -5.512 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.745 -12.389 -6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.480 -13.401 -5.883 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.422 -11.961 -6.880 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.523 -12.959 -8.188 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.617 -14.407 -7.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.835 -14.666 -9.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.902 -14.728 -7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.811 -13.325 -8.899 1.00 0.00 H new ATOM 385 N LEU A 29 0.586 -9.959 -10.648 1.00 0.00 N ATOM 386 CA LEU A 29 0.842 -8.541 -10.461 1.00 0.00 C ATOM 387 C LEU A 29 1.289 -8.293 -9.019 1.00 0.00 C ATOM 388 O LEU A 29 2.427 -7.893 -8.779 1.00 0.00 O ATOM 389 CB LEU A 29 -0.379 -7.718 -10.876 1.00 0.00 C ATOM 390 CG LEU A 29 -0.728 -7.740 -12.366 1.00 0.00 C ATOM 391 CD1 LEU A 29 -0.142 -8.978 -13.047 1.00 0.00 C ATOM 392 CD2 LEU A 29 -2.240 -7.632 -12.576 1.00 0.00 C ATOM 0 HA LEU A 29 1.655 -8.212 -11.108 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.242 -8.077 -10.316 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.213 -6.683 -10.577 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.274 -6.868 -12.837 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.404 -8.970 -14.105 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.943 -8.972 -12.942 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.546 -9.876 -12.580 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.461 -7.650 -13.643 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.736 -8.471 -12.088 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.601 -6.698 -12.146 1.00 0.00 H new ATOM 404 N CYS A 30 0.370 -8.542 -8.097 1.00 0.00 N ATOM 405 CA CYS A 30 0.656 -8.351 -6.686 1.00 0.00 C ATOM 406 C CYS A 30 2.069 -8.868 -6.407 1.00 0.00 C ATOM 407 O CYS A 30 2.836 -8.232 -5.686 1.00 0.00 O ATOM 408 CB CYS A 30 -0.387 -9.035 -5.800 1.00 0.00 C ATOM 409 SG CYS A 30 -2.071 -8.535 -6.315 1.00 0.00 S ATOM 0 H CYS A 30 -0.573 -8.874 -8.300 1.00 0.00 H new ATOM 0 HA CYS A 30 0.604 -7.290 -6.443 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.283 -10.118 -5.871 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.222 -8.766 -4.757 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.934 -9.403 -5.878 1.00 0.00 H new ATOM 415 N ASP A 31 2.370 -10.017 -6.993 1.00 0.00 N ATOM 416 CA ASP A 31 3.677 -10.627 -6.817 1.00 0.00 C ATOM 417 C ASP A 31 4.762 -9.575 -7.054 1.00 0.00 C ATOM 418 O ASP A 31 5.675 -9.426 -6.243 1.00 0.00 O ATOM 419 CB ASP A 31 3.893 -11.764 -7.818 1.00 0.00 C ATOM 420 CG ASP A 31 5.358 -12.102 -8.106 1.00 0.00 C ATOM 421 OD1 ASP A 31 5.987 -12.707 -7.212 1.00 0.00 O ATOM 422 OD2 ASP A 31 5.814 -11.746 -9.214 1.00 0.00 O ATOM 0 H ASP A 31 1.731 -10.542 -7.590 1.00 0.00 H new ATOM 0 HA ASP A 31 3.730 -11.024 -5.803 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.396 -12.658 -7.442 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.405 -11.500 -8.756 1.00 0.00 H new ATOM 427 N GLU A 32 4.627 -8.873 -8.170 1.00 0.00 N ATOM 428 CA GLU A 32 5.584 -7.839 -8.524 1.00 0.00 C ATOM 429 C GLU A 32 5.351 -6.587 -7.678 1.00 0.00 C ATOM 430 O GLU A 32 6.291 -6.030 -7.113 1.00 0.00 O ATOM 431 CB GLU A 32 5.512 -7.513 -10.017 1.00 0.00 C ATOM 432 CG GLU A 32 6.911 -7.310 -10.603 1.00 0.00 C ATOM 433 CD GLU A 32 7.217 -8.362 -11.671 1.00 0.00 C ATOM 434 OE1 GLU A 32 6.650 -8.229 -12.777 1.00 0.00 O ATOM 435 OE2 GLU A 32 8.011 -9.275 -11.357 1.00 0.00 O ATOM 0 H GLU A 32 3.869 -9.000 -8.841 1.00 0.00 H new ATOM 0 HA GLU A 32 6.586 -8.213 -8.315 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.007 -8.321 -10.545 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.917 -6.612 -10.168 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.986 -6.313 -11.038 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.654 -7.368 -9.808 1.00 0.00 H new ATOM 442 N ALA A 33 4.091 -6.179 -7.616 1.00 0.00 N ATOM 443 CA ALA A 33 3.722 -5.003 -6.848 1.00 0.00 C ATOM 444 C ALA A 33 4.553 -4.956 -5.564 1.00 0.00 C ATOM 445 O ALA A 33 5.278 -3.991 -5.324 1.00 0.00 O ATOM 446 CB ALA A 33 2.218 -5.026 -6.568 1.00 0.00 C ATOM 0 H ALA A 33 3.313 -6.643 -8.086 1.00 0.00 H new ATOM 0 HA ALA A 33 3.935 -4.095 -7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.942 -4.143 -5.992 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.672 -5.029 -7.512 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.967 -5.923 -6.001 1.00 0.00 H new ATOM 452 N LYS A 34 4.421 -6.010 -4.772 1.00 0.00 N ATOM 453 CA LYS A 34 5.150 -6.101 -3.519 1.00 0.00 C ATOM 454 C LYS A 34 6.612 -5.713 -3.755 1.00 0.00 C ATOM 455 O LYS A 34 7.154 -4.864 -3.049 1.00 0.00 O ATOM 456 CB LYS A 34 4.975 -7.487 -2.897 1.00 0.00 C ATOM 457 CG LYS A 34 3.537 -7.697 -2.420 1.00 0.00 C ATOM 458 CD LYS A 34 3.087 -9.141 -2.650 1.00 0.00 C ATOM 459 CE LYS A 34 2.619 -9.784 -1.343 1.00 0.00 C ATOM 460 NZ LYS A 34 3.760 -9.975 -0.421 1.00 0.00 N ATOM 0 H LYS A 34 3.820 -6.809 -4.974 1.00 0.00 H new ATOM 0 HA LYS A 34 4.746 -5.397 -2.791 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.235 -8.253 -3.628 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.661 -7.602 -2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.463 -7.454 -1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.871 -7.016 -2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.278 -9.162 -3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.910 -9.720 -3.070 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.864 -9.155 -0.871 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.148 -10.745 -1.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.562 -10.773 0.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.620 -10.175 -0.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.901 -9.111 0.141 1.00 0.00 H new ATOM 474 N GLU A 35 7.207 -6.353 -4.751 1.00 0.00 N ATOM 475 CA GLU A 35 8.595 -6.085 -5.089 1.00 0.00 C ATOM 476 C GLU A 35 8.804 -4.589 -5.328 1.00 0.00 C ATOM 477 O GLU A 35 9.903 -4.073 -5.135 1.00 0.00 O ATOM 478 CB GLU A 35 9.029 -6.902 -6.307 1.00 0.00 C ATOM 479 CG GLU A 35 8.595 -8.363 -6.172 1.00 0.00 C ATOM 480 CD GLU A 35 9.617 -9.301 -6.817 1.00 0.00 C ATOM 481 OE1 GLU A 35 9.836 -9.148 -8.038 1.00 0.00 O ATOM 482 OE2 GLU A 35 10.157 -10.149 -6.075 1.00 0.00 O ATOM 0 H GLU A 35 6.754 -7.056 -5.335 1.00 0.00 H new ATOM 0 HA GLU A 35 9.219 -6.388 -4.248 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.596 -6.472 -7.210 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.112 -6.850 -6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.479 -8.616 -5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.621 -8.502 -6.642 1.00 0.00 H new ATOM 489 N VAL A 36 7.730 -3.934 -5.746 1.00 0.00 N ATOM 490 CA VAL A 36 7.782 -2.506 -6.014 1.00 0.00 C ATOM 491 C VAL A 36 7.690 -1.740 -4.693 1.00 0.00 C ATOM 492 O VAL A 36 8.038 -0.562 -4.630 1.00 0.00 O ATOM 493 CB VAL A 36 6.684 -2.120 -7.007 1.00 0.00 C ATOM 494 CG1 VAL A 36 6.879 -0.688 -7.510 1.00 0.00 C ATOM 495 CG2 VAL A 36 6.628 -3.109 -8.174 1.00 0.00 C ATOM 0 H VAL A 36 6.820 -4.365 -5.906 1.00 0.00 H new ATOM 0 HA VAL A 36 8.731 -2.239 -6.479 1.00 0.00 H new ATOM 0 HB VAL A 36 5.728 -2.164 -6.485 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.085 -0.439 -8.214 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.846 0.002 -6.667 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.845 -0.606 -8.008 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.839 -2.812 -8.865 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.585 -3.111 -8.695 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.419 -4.109 -7.794 1.00 0.00 H new ATOM 505 N LEU A 37 7.220 -2.440 -3.671 1.00 0.00 N ATOM 506 CA LEU A 37 7.078 -1.840 -2.356 1.00 0.00 C ATOM 507 C LEU A 37 8.252 -2.270 -1.474 1.00 0.00 C ATOM 508 O LEU A 37 8.214 -2.099 -0.257 1.00 0.00 O ATOM 509 CB LEU A 37 5.708 -2.173 -1.760 1.00 0.00 C ATOM 510 CG LEU A 37 4.502 -1.541 -2.458 1.00 0.00 C ATOM 511 CD1 LEU A 37 3.275 -1.547 -1.545 1.00 0.00 C ATOM 512 CD2 LEU A 37 4.835 -0.135 -2.962 1.00 0.00 C ATOM 0 H LEU A 37 6.933 -3.417 -3.727 1.00 0.00 H new ATOM 0 HA LEU A 37 7.114 -0.753 -2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.583 -3.256 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.703 -1.862 -0.715 1.00 0.00 H new ATOM 0 HG LEU A 37 4.257 -2.146 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.432 -1.092 -2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.025 -2.574 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.492 -0.979 -0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.961 0.292 -3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.121 0.495 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.661 -0.189 -3.672 1.00 0.00 H new ATOM 524 N GLN A 38 9.268 -2.820 -2.124 1.00 0.00 N ATOM 525 CA GLN A 38 10.451 -3.275 -1.414 1.00 0.00 C ATOM 526 C GLN A 38 11.148 -2.096 -0.732 1.00 0.00 C ATOM 527 O GLN A 38 11.446 -2.152 0.460 1.00 0.00 O ATOM 528 CB GLN A 38 11.408 -4.007 -2.357 1.00 0.00 C ATOM 529 CG GLN A 38 11.323 -5.521 -2.158 1.00 0.00 C ATOM 530 CD GLN A 38 12.719 -6.141 -2.058 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.960 -7.073 -1.309 1.00 0.00 O ATOM 532 NE2 GLN A 38 13.621 -5.572 -2.853 1.00 0.00 N ATOM 0 H GLN A 38 9.296 -2.960 -3.134 1.00 0.00 H new ATOM 0 HA GLN A 38 10.140 -3.981 -0.645 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.167 -3.758 -3.390 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.429 -3.670 -2.178 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.758 -5.741 -1.252 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.780 -5.971 -2.989 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.351 -4.795 -3.456 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.582 -5.913 -2.860 1.00 0.00 H new ATOM 541 N PRO A 39 11.394 -1.029 -1.539 1.00 0.00 N ATOM 542 CA PRO A 39 12.050 0.161 -1.026 1.00 0.00 C ATOM 543 C PRO A 39 11.092 0.988 -0.166 1.00 0.00 C ATOM 544 O PRO A 39 11.491 1.989 0.427 1.00 0.00 O ATOM 545 CB PRO A 39 12.534 0.906 -2.259 1.00 0.00 C ATOM 546 CG PRO A 39 11.732 0.350 -3.424 1.00 0.00 C ATOM 547 CD PRO A 39 11.055 -0.928 -2.955 1.00 0.00 C ATOM 0 HA PRO A 39 12.884 -0.071 -0.364 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.377 1.979 -2.154 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.602 0.754 -2.413 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.990 1.075 -3.757 1.00 0.00 H new ATOM 0 HG3 PRO A 39 12.384 0.147 -4.274 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.976 -0.881 -3.101 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.415 -1.794 -3.511 1.00 0.00 H new ATOM 555 N TYR A 40 9.846 0.539 -0.125 1.00 0.00 N ATOM 556 CA TYR A 40 8.828 1.224 0.652 1.00 0.00 C ATOM 557 C TYR A 40 8.282 0.321 1.759 1.00 0.00 C ATOM 558 O TYR A 40 7.241 0.611 2.346 1.00 0.00 O ATOM 559 CB TYR A 40 7.698 1.550 -0.327 1.00 0.00 C ATOM 560 CG TYR A 40 8.132 2.416 -1.512 1.00 0.00 C ATOM 561 CD1 TYR A 40 8.153 3.790 -1.391 1.00 0.00 C ATOM 562 CD2 TYR A 40 8.502 1.821 -2.702 1.00 0.00 C ATOM 563 CE1 TYR A 40 8.561 4.605 -2.506 1.00 0.00 C ATOM 564 CE2 TYR A 40 8.909 2.636 -3.817 1.00 0.00 C ATOM 565 CZ TYR A 40 8.919 3.987 -3.664 1.00 0.00 C ATOM 566 OH TYR A 40 9.304 4.757 -4.718 1.00 0.00 O ATOM 0 H TYR A 40 9.519 -0.292 -0.618 1.00 0.00 H new ATOM 0 HA TYR A 40 9.242 2.115 1.125 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.279 0.618 -0.706 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.901 2.062 0.212 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.863 4.255 -0.460 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.486 0.745 -2.796 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.582 5.682 -2.425 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.200 2.184 -4.754 1.00 0.00 H new ATOM 0 HH TYR A 40 9.532 4.181 -5.478 1.00 0.00 H new ATOM 576 N LYS A 41 9.011 -0.757 2.012 1.00 0.00 N ATOM 577 CA LYS A 41 8.613 -1.705 3.039 1.00 0.00 C ATOM 578 C LYS A 41 8.792 -1.064 4.416 1.00 0.00 C ATOM 579 O LYS A 41 8.053 -1.373 5.350 1.00 0.00 O ATOM 580 CB LYS A 41 9.369 -3.025 2.872 1.00 0.00 C ATOM 581 CG LYS A 41 10.827 -2.881 3.313 1.00 0.00 C ATOM 582 CD LYS A 41 11.077 -3.621 4.628 1.00 0.00 C ATOM 583 CE LYS A 41 12.566 -3.623 4.982 1.00 0.00 C ATOM 584 NZ LYS A 41 12.878 -4.738 5.904 1.00 0.00 N ATOM 0 H LYS A 41 9.874 -0.995 1.524 1.00 0.00 H new ATOM 0 HA LYS A 41 7.557 -1.954 2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.883 -3.804 3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.330 -3.341 1.830 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.485 -3.275 2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.072 -1.826 3.433 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.510 -3.148 5.429 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.718 -4.647 4.546 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.162 -3.717 4.074 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.837 -2.674 5.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.892 -4.725 6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.323 -4.632 6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.638 -5.642 5.449 1.00 0.00 H new ATOM 598 N ASP A 42 9.778 -0.183 4.499 1.00 0.00 N ATOM 599 CA ASP A 42 10.064 0.505 5.747 1.00 0.00 C ATOM 600 C ASP A 42 9.450 1.906 5.705 1.00 0.00 C ATOM 601 O ASP A 42 9.340 2.570 6.734 1.00 0.00 O ATOM 602 CB ASP A 42 11.572 0.656 5.960 1.00 0.00 C ATOM 603 CG ASP A 42 12.284 1.543 4.937 1.00 0.00 C ATOM 604 OD1 ASP A 42 12.067 1.303 3.729 1.00 0.00 O ATOM 605 OD2 ASP A 42 13.029 2.441 5.385 1.00 0.00 O ATOM 0 H ASP A 42 10.389 0.070 3.723 1.00 0.00 H new ATOM 0 HA ASP A 42 9.642 -0.084 6.561 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.744 1.065 6.955 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.028 -0.334 5.940 1.00 0.00 H new ATOM 610 N ARG A 43 9.067 2.313 4.504 1.00 0.00 N ATOM 611 CA ARG A 43 8.467 3.623 4.314 1.00 0.00 C ATOM 612 C ARG A 43 7.113 3.694 5.023 1.00 0.00 C ATOM 613 O ARG A 43 6.626 4.780 5.332 1.00 0.00 O ATOM 614 CB ARG A 43 8.273 3.930 2.828 1.00 0.00 C ATOM 615 CG ARG A 43 9.612 4.237 2.153 1.00 0.00 C ATOM 616 CD ARG A 43 10.174 5.576 2.635 1.00 0.00 C ATOM 617 NE ARG A 43 11.105 5.357 3.765 1.00 0.00 N ATOM 618 CZ ARG A 43 11.788 6.334 4.375 1.00 0.00 C ATOM 619 NH1 ARG A 43 11.650 7.604 3.969 1.00 0.00 N ATOM 620 NH2 ARG A 43 12.611 6.043 5.392 1.00 0.00 N ATOM 0 H ARG A 43 9.160 1.759 3.653 1.00 0.00 H new ATOM 0 HA ARG A 43 9.144 4.363 4.741 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.800 3.080 2.336 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.600 4.780 2.713 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.324 3.440 2.370 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.481 4.262 1.071 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.693 6.077 1.818 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.360 6.231 2.945 1.00 0.00 H new ATOM 0 HE ARG A 43 11.234 4.402 4.100 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.024 7.827 3.195 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.171 8.348 4.434 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.717 5.077 5.702 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.131 6.788 5.856 1.00 0.00 H new ATOM 634 N PHE A 44 6.543 2.522 5.260 1.00 0.00 N ATOM 635 CA PHE A 44 5.254 2.437 5.927 1.00 0.00 C ATOM 636 C PHE A 44 4.947 0.998 6.346 1.00 0.00 C ATOM 637 O PHE A 44 5.752 0.096 6.119 1.00 0.00 O ATOM 638 CB PHE A 44 4.199 2.900 4.920 1.00 0.00 C ATOM 639 CG PHE A 44 4.351 2.280 3.530 1.00 0.00 C ATOM 640 CD1 PHE A 44 4.252 0.933 3.372 1.00 0.00 C ATOM 641 CD2 PHE A 44 4.585 3.076 2.452 1.00 0.00 C ATOM 642 CE1 PHE A 44 4.393 0.357 2.081 1.00 0.00 C ATOM 643 CE2 PHE A 44 4.726 2.500 1.162 1.00 0.00 C ATOM 644 CZ PHE A 44 4.627 1.153 1.003 1.00 0.00 C ATOM 0 H PHE A 44 6.950 1.623 5.002 1.00 0.00 H new ATOM 0 HA PHE A 44 5.258 3.055 6.825 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.210 2.658 5.308 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.249 3.985 4.830 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.066 0.301 4.228 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.664 4.146 2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.314 -0.713 1.955 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.912 3.132 0.306 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.734 0.716 0.021 1.00 0.00 H new ATOM 654 N ILE A 45 3.779 0.828 6.949 1.00 0.00 N ATOM 655 CA ILE A 45 3.355 -0.486 7.401 1.00 0.00 C ATOM 656 C ILE A 45 2.476 -1.131 6.328 1.00 0.00 C ATOM 657 O ILE A 45 1.289 -0.828 6.229 1.00 0.00 O ATOM 658 CB ILE A 45 2.682 -0.390 8.772 1.00 0.00 C ATOM 659 CG1 ILE A 45 3.635 0.205 9.811 1.00 0.00 C ATOM 660 CG2 ILE A 45 2.132 -1.749 9.210 1.00 0.00 C ATOM 661 CD1 ILE A 45 2.859 0.868 10.951 1.00 0.00 C ATOM 0 H ILE A 45 3.114 1.578 7.135 1.00 0.00 H new ATOM 0 HA ILE A 45 4.218 -1.137 7.540 1.00 0.00 H new ATOM 0 HB ILE A 45 1.833 0.289 8.688 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.277 -0.579 10.212 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.286 0.938 9.335 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.659 -1.652 10.187 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.397 -2.095 8.484 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.948 -2.469 9.271 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.560 1.283 11.675 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.236 1.668 10.550 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.227 0.127 11.441 1.00 0.00 H new ATOM 673 N LEU A 46 3.094 -2.010 5.552 1.00 0.00 N ATOM 674 CA LEU A 46 2.382 -2.700 4.490 1.00 0.00 C ATOM 675 C LEU A 46 1.494 -3.786 5.099 1.00 0.00 C ATOM 676 O LEU A 46 1.988 -4.824 5.537 1.00 0.00 O ATOM 677 CB LEU A 46 3.364 -3.226 3.441 1.00 0.00 C ATOM 678 CG LEU A 46 2.740 -3.830 2.181 1.00 0.00 C ATOM 679 CD1 LEU A 46 1.991 -2.767 1.376 1.00 0.00 C ATOM 680 CD2 LEU A 46 3.795 -4.550 1.338 1.00 0.00 C ATOM 0 H LEU A 46 4.079 -2.260 5.638 1.00 0.00 H new ATOM 0 HA LEU A 46 1.725 -2.010 3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.018 -2.407 3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.994 -3.983 3.909 1.00 0.00 H new ATOM 0 HG LEU A 46 2.007 -4.577 2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.557 -3.223 0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.197 -2.339 1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.684 -1.980 1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.325 -4.970 0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.568 -3.842 1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.244 -5.352 1.924 1.00 0.00 H new ATOM 692 N GLN A 47 0.198 -3.510 5.107 1.00 0.00 N ATOM 693 CA GLN A 47 -0.764 -4.450 5.656 1.00 0.00 C ATOM 694 C GLN A 47 -1.324 -5.344 4.547 1.00 0.00 C ATOM 695 O GLN A 47 -2.234 -4.944 3.823 1.00 0.00 O ATOM 696 CB GLN A 47 -1.889 -3.718 6.390 1.00 0.00 C ATOM 697 CG GLN A 47 -2.442 -4.570 7.535 1.00 0.00 C ATOM 698 CD GLN A 47 -3.799 -4.042 8.006 1.00 0.00 C ATOM 699 OE1 GLN A 47 -4.690 -3.761 7.222 1.00 0.00 O ATOM 700 NE2 GLN A 47 -3.905 -3.924 9.326 1.00 0.00 N ATOM 0 H GLN A 47 -0.208 -2.649 4.742 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.252 -5.081 6.382 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.516 -2.772 6.783 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.690 -3.479 5.690 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.544 -5.604 7.207 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.738 -4.568 8.367 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.119 -4.177 9.925 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.772 -3.580 9.739 1.00 0.00 H new ATOM 709 N GLU A 48 -0.757 -6.538 4.451 1.00 0.00 N ATOM 710 CA GLU A 48 -1.187 -7.492 3.443 1.00 0.00 C ATOM 711 C GLU A 48 -2.485 -8.176 3.879 1.00 0.00 C ATOM 712 O GLU A 48 -2.462 -9.089 4.703 1.00 0.00 O ATOM 713 CB GLU A 48 -0.093 -8.522 3.159 1.00 0.00 C ATOM 714 CG GLU A 48 0.672 -8.173 1.881 1.00 0.00 C ATOM 715 CD GLU A 48 2.118 -8.667 1.954 1.00 0.00 C ATOM 716 OE1 GLU A 48 2.298 -9.834 2.366 1.00 0.00 O ATOM 717 OE2 GLU A 48 3.010 -7.868 1.597 1.00 0.00 O ATOM 0 H GLU A 48 -0.003 -6.866 5.055 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.378 -6.950 2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.598 -8.564 4.001 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.538 -9.512 3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.174 -8.621 1.021 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.660 -7.094 1.729 1.00 0.00 H new ATOM 724 N VAL A 49 -3.584 -7.708 3.308 1.00 0.00 N ATOM 725 CA VAL A 49 -4.888 -8.263 3.627 1.00 0.00 C ATOM 726 C VAL A 49 -5.192 -9.422 2.676 1.00 0.00 C ATOM 727 O VAL A 49 -4.909 -9.339 1.481 1.00 0.00 O ATOM 728 CB VAL A 49 -5.950 -7.162 3.586 1.00 0.00 C ATOM 729 CG1 VAL A 49 -7.351 -7.743 3.790 1.00 0.00 C ATOM 730 CG2 VAL A 49 -5.653 -6.074 4.621 1.00 0.00 C ATOM 0 H VAL A 49 -3.599 -6.950 2.626 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.894 -8.664 4.640 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.918 -6.703 2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.087 -6.939 3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.565 -8.464 3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.401 -8.240 4.759 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.423 -5.304 4.571 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.644 -6.513 5.618 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.680 -5.629 4.412 1.00 0.00 H new ATOM 740 N ASP A 50 -5.763 -10.475 3.241 1.00 0.00 N ATOM 741 CA ASP A 50 -6.108 -11.649 2.457 1.00 0.00 C ATOM 742 C ASP A 50 -7.580 -11.568 2.046 1.00 0.00 C ATOM 743 O ASP A 50 -8.470 -11.820 2.856 1.00 0.00 O ATOM 744 CB ASP A 50 -5.915 -12.931 3.271 1.00 0.00 C ATOM 745 CG ASP A 50 -4.503 -13.519 3.225 1.00 0.00 C ATOM 746 OD1 ASP A 50 -3.745 -13.105 2.322 1.00 0.00 O ATOM 747 OD2 ASP A 50 -4.214 -14.369 4.095 1.00 0.00 O ATOM 0 H ASP A 50 -5.996 -10.540 4.232 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.457 -11.674 1.583 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.174 -12.726 4.310 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.617 -13.682 2.910 1.00 0.00 H new ATOM 752 N ILE A 51 -7.790 -11.216 0.786 1.00 0.00 N ATOM 753 CA ILE A 51 -9.138 -11.099 0.256 1.00 0.00 C ATOM 754 C ILE A 51 -9.631 -12.479 -0.182 1.00 0.00 C ATOM 755 O ILE A 51 -10.813 -12.657 -0.472 1.00 0.00 O ATOM 756 CB ILE A 51 -9.188 -10.047 -0.854 1.00 0.00 C ATOM 757 CG1 ILE A 51 -8.267 -10.430 -2.014 1.00 0.00 C ATOM 758 CG2 ILE A 51 -8.870 -8.655 -0.305 1.00 0.00 C ATOM 759 CD1 ILE A 51 -8.703 -9.744 -3.310 1.00 0.00 C ATOM 0 H ILE A 51 -7.049 -11.008 0.117 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.822 -10.747 1.028 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.204 -10.013 -1.247 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.241 -10.148 -1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.277 -11.511 -2.150 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.912 -7.926 -1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.600 -8.390 0.460 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.871 -8.655 0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.032 -10.033 -4.118 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.720 -10.047 -3.557 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.668 -8.662 -3.179 1.00 0.00 H new ATOM 771 N THR A 52 -8.701 -13.422 -0.215 1.00 0.00 N ATOM 772 CA THR A 52 -9.026 -14.781 -0.612 1.00 0.00 C ATOM 773 C THR A 52 -9.759 -15.506 0.518 1.00 0.00 C ATOM 774 O THR A 52 -10.223 -16.631 0.340 1.00 0.00 O ATOM 775 CB THR A 52 -7.729 -15.473 -1.038 1.00 0.00 C ATOM 776 OG1 THR A 52 -6.880 -15.349 0.100 1.00 0.00 O ATOM 777 CG2 THR A 52 -6.991 -14.708 -2.138 1.00 0.00 C ATOM 0 H THR A 52 -7.722 -13.271 0.027 1.00 0.00 H new ATOM 0 HA THR A 52 -9.710 -14.792 -1.460 1.00 0.00 H new ATOM 0 HB THR A 52 -7.953 -16.482 -1.385 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.017 -15.773 -0.088 1.00 0.00 H new ATOM 0 HG21 THR A 52 -6.078 -15.242 -2.403 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.631 -14.626 -3.016 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.737 -13.710 -1.780 1.00 0.00 H new ATOM 785 N LEU A 53 -9.840 -14.832 1.656 1.00 0.00 N ATOM 786 CA LEU A 53 -10.509 -15.398 2.815 1.00 0.00 C ATOM 787 C LEU A 53 -12.014 -15.151 2.701 1.00 0.00 C ATOM 788 O LEU A 53 -12.448 -14.267 1.964 1.00 0.00 O ATOM 789 CB LEU A 53 -9.892 -14.857 4.106 1.00 0.00 C ATOM 790 CG LEU A 53 -8.539 -15.449 4.503 1.00 0.00 C ATOM 791 CD1 LEU A 53 -7.903 -14.649 5.642 1.00 0.00 C ATOM 792 CD2 LEU A 53 -8.670 -16.933 4.849 1.00 0.00 C ATOM 0 H LEU A 53 -9.453 -13.899 1.800 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.365 -16.478 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.778 -13.778 4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.595 -15.030 4.921 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.870 -15.376 3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.942 -15.091 5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.753 -13.618 5.323 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.561 -14.667 6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.694 -17.329 5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.362 -17.052 5.683 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.048 -17.476 3.983 1.00 0.00 H new ATOM 804 N PRO A 54 -12.790 -15.970 3.461 1.00 0.00 N ATOM 805 CA PRO A 54 -14.238 -15.848 3.453 1.00 0.00 C ATOM 806 C PRO A 54 -14.690 -14.623 4.249 1.00 0.00 C ATOM 807 O PRO A 54 -15.650 -13.953 3.872 1.00 0.00 O ATOM 808 CB PRO A 54 -14.746 -17.157 4.037 1.00 0.00 C ATOM 809 CG PRO A 54 -13.567 -17.768 4.777 1.00 0.00 C ATOM 810 CD PRO A 54 -12.311 -17.028 4.346 1.00 0.00 C ATOM 0 HA PRO A 54 -14.641 -15.690 2.453 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.584 -16.984 4.712 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -15.102 -17.823 3.251 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.708 -17.685 5.855 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -13.482 -18.830 4.548 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.780 -16.616 5.204 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.617 -17.692 3.830 1.00 0.00 H new ATOM 818 N GLU A 55 -13.977 -14.366 5.336 1.00 0.00 N ATOM 819 CA GLU A 55 -14.293 -13.233 6.188 1.00 0.00 C ATOM 820 C GLU A 55 -13.893 -11.925 5.503 1.00 0.00 C ATOM 821 O GLU A 55 -14.418 -10.862 5.831 1.00 0.00 O ATOM 822 CB GLU A 55 -13.614 -13.367 7.553 1.00 0.00 C ATOM 823 CG GLU A 55 -12.091 -13.386 7.407 1.00 0.00 C ATOM 824 CD GLU A 55 -11.410 -13.439 8.777 1.00 0.00 C ATOM 825 OE1 GLU A 55 -11.487 -14.515 9.407 1.00 0.00 O ATOM 826 OE2 GLU A 55 -10.828 -12.402 9.161 1.00 0.00 O ATOM 0 H GLU A 55 -13.181 -14.924 5.646 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.370 -13.218 6.354 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.911 -12.537 8.194 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.948 -14.283 8.041 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.790 -14.249 6.813 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.763 -12.498 6.868 1.00 0.00 H new ATOM 833 N ASN A 56 -12.967 -12.046 4.562 1.00 0.00 N ATOM 834 CA ASN A 56 -12.491 -10.887 3.828 1.00 0.00 C ATOM 835 C ASN A 56 -13.073 -10.911 2.413 1.00 0.00 C ATOM 836 O ASN A 56 -12.795 -10.023 1.608 1.00 0.00 O ATOM 837 CB ASN A 56 -10.965 -10.897 3.712 1.00 0.00 C ATOM 838 CG ASN A 56 -10.310 -10.780 5.089 1.00 0.00 C ATOM 839 OD1 ASN A 56 -10.789 -10.093 5.977 1.00 0.00 O ATOM 840 ND2 ASN A 56 -9.191 -11.486 5.218 1.00 0.00 N ATOM 0 H ASN A 56 -12.534 -12.929 4.292 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.806 -9.993 4.367 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.640 -11.818 3.228 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.639 -10.071 3.079 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.679 -11.473 6.100 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.845 -12.040 4.435 1.00 0.00 H new ATOM 847 N SER A 57 -13.869 -11.937 2.152 1.00 0.00 N ATOM 848 CA SER A 57 -14.493 -12.088 0.848 1.00 0.00 C ATOM 849 C SER A 57 -15.061 -10.747 0.381 1.00 0.00 C ATOM 850 O SER A 57 -15.174 -10.500 -0.819 1.00 0.00 O ATOM 851 CB SER A 57 -15.595 -13.148 0.885 1.00 0.00 C ATOM 852 OG SER A 57 -16.495 -13.020 -0.213 1.00 0.00 O ATOM 0 H SER A 57 -14.097 -12.672 2.821 1.00 0.00 H new ATOM 0 HA SER A 57 -13.732 -12.418 0.141 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.144 -14.140 0.871 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.149 -13.063 1.820 1.00 0.00 H new ATOM 0 HG SER A 57 -17.239 -12.435 0.040 1.00 0.00 H new ATOM 858 N THR A 58 -15.405 -9.915 1.354 1.00 0.00 N ATOM 859 CA THR A 58 -15.959 -8.605 1.057 1.00 0.00 C ATOM 860 C THR A 58 -14.924 -7.739 0.335 1.00 0.00 C ATOM 861 O THR A 58 -15.241 -7.083 -0.656 1.00 0.00 O ATOM 862 CB THR A 58 -16.454 -7.993 2.369 1.00 0.00 C ATOM 863 OG1 THR A 58 -17.717 -8.616 2.588 1.00 0.00 O ATOM 864 CG2 THR A 58 -16.790 -6.507 2.231 1.00 0.00 C ATOM 0 H THR A 58 -15.311 -10.123 2.348 1.00 0.00 H new ATOM 0 HA THR A 58 -16.806 -8.679 0.376 1.00 0.00 H new ATOM 0 HB THR A 58 -15.695 -8.123 3.140 1.00 0.00 H new ATOM 0 HG1 THR A 58 -18.109 -8.278 3.420 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.136 -6.122 3.190 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.900 -5.960 1.920 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.574 -6.379 1.484 1.00 0.00 H new ATOM 872 N TRP A 59 -13.708 -7.765 0.861 1.00 0.00 N ATOM 873 CA TRP A 59 -12.624 -6.991 0.279 1.00 0.00 C ATOM 874 C TRP A 59 -12.401 -7.490 -1.150 1.00 0.00 C ATOM 875 O TRP A 59 -11.940 -6.740 -2.009 1.00 0.00 O ATOM 876 CB TRP A 59 -11.366 -7.073 1.144 1.00 0.00 C ATOM 877 CG TRP A 59 -11.342 -6.075 2.304 1.00 0.00 C ATOM 878 CD1 TRP A 59 -11.408 -6.334 3.617 1.00 0.00 C ATOM 879 CD2 TRP A 59 -11.241 -4.639 2.200 1.00 0.00 C ATOM 880 NE1 TRP A 59 -11.358 -5.175 4.364 1.00 0.00 N ATOM 881 CE2 TRP A 59 -11.253 -4.111 3.475 1.00 0.00 C ATOM 882 CE3 TRP A 59 -11.143 -3.813 1.067 1.00 0.00 C ATOM 883 CZ2 TRP A 59 -11.170 -2.739 3.738 1.00 0.00 C ATOM 884 CZ3 TRP A 59 -11.061 -2.444 1.346 1.00 0.00 C ATOM 885 CH2 TRP A 59 -11.072 -1.897 2.624 1.00 0.00 C ATOM 0 H TRP A 59 -13.449 -8.310 1.684 1.00 0.00 H new ATOM 0 HA TRP A 59 -12.882 -5.933 0.242 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.278 -8.083 1.545 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.493 -6.903 0.514 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -11.490 -7.325 4.038 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -11.392 -5.111 5.381 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -11.132 -4.204 0.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -11.181 -2.351 4.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.984 -1.765 0.510 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -11.005 -0.827 2.757 1.00 0.00 H new ATOM 896 N TYR A 60 -12.738 -8.754 -1.361 1.00 0.00 N ATOM 897 CA TYR A 60 -12.580 -9.363 -2.671 1.00 0.00 C ATOM 898 C TYR A 60 -13.776 -9.045 -3.571 1.00 0.00 C ATOM 899 O TYR A 60 -13.606 -8.546 -4.682 1.00 0.00 O ATOM 900 CB TYR A 60 -12.524 -10.873 -2.431 1.00 0.00 C ATOM 901 CG TYR A 60 -12.093 -11.682 -3.656 1.00 0.00 C ATOM 902 CD1 TYR A 60 -13.030 -12.063 -4.595 1.00 0.00 C ATOM 903 CD2 TYR A 60 -10.768 -12.031 -3.821 1.00 0.00 C ATOM 904 CE1 TYR A 60 -12.624 -12.825 -5.748 1.00 0.00 C ATOM 905 CE2 TYR A 60 -10.363 -12.792 -4.974 1.00 0.00 C ATOM 906 CZ TYR A 60 -11.311 -13.152 -5.880 1.00 0.00 C ATOM 907 OH TYR A 60 -10.928 -13.871 -6.969 1.00 0.00 O ATOM 0 H TYR A 60 -13.120 -9.373 -0.646 1.00 0.00 H new ATOM 0 HA TYR A 60 -11.684 -8.985 -3.164 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.832 -11.075 -1.613 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.507 -11.216 -2.109 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -14.067 -11.790 -4.465 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.035 -11.733 -3.086 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -13.346 -13.130 -6.491 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.329 -13.071 -5.116 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.962 -14.031 -6.932 1.00 0.00 H new ATOM 917 N GLU A 61 -14.959 -9.348 -3.057 1.00 0.00 N ATOM 918 CA GLU A 61 -16.183 -9.101 -3.800 1.00 0.00 C ATOM 919 C GLU A 61 -16.210 -7.660 -4.314 1.00 0.00 C ATOM 920 O GLU A 61 -16.930 -7.349 -5.262 1.00 0.00 O ATOM 921 CB GLU A 61 -17.414 -9.401 -2.944 1.00 0.00 C ATOM 922 CG GLU A 61 -17.580 -10.907 -2.730 1.00 0.00 C ATOM 923 CD GLU A 61 -18.510 -11.194 -1.549 1.00 0.00 C ATOM 924 OE1 GLU A 61 -18.038 -11.035 -0.403 1.00 0.00 O ATOM 925 OE2 GLU A 61 -19.672 -11.567 -1.820 1.00 0.00 O ATOM 0 H GLU A 61 -15.096 -9.762 -2.135 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.206 -9.773 -4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.321 -8.901 -1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.304 -8.999 -3.427 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -17.983 -11.364 -3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.606 -11.362 -2.549 1.00 0.00 H new ATOM 932 N ARG A 62 -15.418 -6.819 -3.666 1.00 0.00 N ATOM 933 CA ARG A 62 -15.342 -5.419 -4.046 1.00 0.00 C ATOM 934 C ARG A 62 -14.093 -5.165 -4.892 1.00 0.00 C ATOM 935 O ARG A 62 -14.105 -4.320 -5.785 1.00 0.00 O ATOM 936 CB ARG A 62 -15.307 -4.515 -2.812 1.00 0.00 C ATOM 937 CG ARG A 62 -13.951 -4.599 -2.109 1.00 0.00 C ATOM 938 CD ARG A 62 -13.857 -3.578 -0.973 1.00 0.00 C ATOM 939 NE ARG A 62 -14.359 -2.263 -1.432 1.00 0.00 N ATOM 940 CZ ARG A 62 -14.822 -1.309 -0.613 1.00 0.00 C ATOM 941 NH1 ARG A 62 -14.850 -1.517 0.710 1.00 0.00 N ATOM 942 NH2 ARG A 62 -15.257 -0.146 -1.118 1.00 0.00 N ATOM 0 H ARG A 62 -14.823 -7.080 -2.880 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.233 -5.185 -4.629 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.505 -3.484 -3.106 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -16.098 -4.807 -2.121 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.805 -5.604 -1.712 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.152 -4.421 -2.829 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.438 -3.920 -0.117 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.823 -3.486 -0.640 1.00 0.00 H new ATOM 0 HE ARG A 62 -14.352 -2.071 -2.434 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -14.519 -2.402 1.094 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -15.203 -0.790 1.333 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -15.235 0.012 -2.125 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -15.610 0.581 -0.495 1.00 0.00 H new ATOM 956 N TYR A 63 -13.044 -5.911 -4.579 1.00 0.00 N ATOM 957 CA TYR A 63 -11.789 -5.778 -5.299 1.00 0.00 C ATOM 958 C TYR A 63 -11.212 -7.149 -5.655 1.00 0.00 C ATOM 959 O TYR A 63 -10.253 -7.604 -5.034 1.00 0.00 O ATOM 960 CB TYR A 63 -10.828 -5.066 -4.344 1.00 0.00 C ATOM 961 CG TYR A 63 -11.223 -3.623 -4.026 1.00 0.00 C ATOM 962 CD1 TYR A 63 -11.626 -2.778 -5.040 1.00 0.00 C ATOM 963 CD2 TYR A 63 -11.177 -3.166 -2.724 1.00 0.00 C ATOM 964 CE1 TYR A 63 -11.998 -1.419 -4.740 1.00 0.00 C ATOM 965 CE2 TYR A 63 -11.548 -1.807 -2.424 1.00 0.00 C ATOM 966 CZ TYR A 63 -11.941 -1.001 -3.447 1.00 0.00 C ATOM 967 OH TYR A 63 -12.292 0.282 -3.164 1.00 0.00 O ATOM 0 H TYR A 63 -13.037 -6.610 -3.836 1.00 0.00 H new ATOM 0 HA TYR A 63 -11.937 -5.230 -6.229 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.773 -5.630 -3.413 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.829 -5.071 -4.780 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -11.662 -3.136 -6.058 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.863 -3.828 -1.930 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -12.315 -0.747 -5.524 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.515 -1.436 -1.410 1.00 0.00 H new ATOM 0 HH TYR A 63 -12.204 0.440 -2.201 1.00 0.00 H new ATOM 977 N LYS A 64 -11.821 -7.771 -6.654 1.00 0.00 N ATOM 978 CA LYS A 64 -11.380 -9.081 -7.100 1.00 0.00 C ATOM 979 C LYS A 64 -10.804 -8.967 -8.513 1.00 0.00 C ATOM 980 O LYS A 64 -10.242 -9.928 -9.038 1.00 0.00 O ATOM 981 CB LYS A 64 -12.517 -10.099 -6.980 1.00 0.00 C ATOM 982 CG LYS A 64 -13.696 -9.712 -7.875 1.00 0.00 C ATOM 983 CD LYS A 64 -14.908 -10.604 -7.601 1.00 0.00 C ATOM 984 CE LYS A 64 -16.212 -9.820 -7.753 1.00 0.00 C ATOM 985 NZ LYS A 64 -17.218 -10.290 -6.774 1.00 0.00 N ATOM 0 H LYS A 64 -12.617 -7.391 -7.167 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.581 -9.452 -6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.155 -11.089 -7.258 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.848 -10.160 -5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.961 -8.669 -7.702 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.406 -9.798 -8.922 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -14.905 -11.449 -8.290 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.842 -11.014 -6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.023 -8.757 -7.606 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.598 -9.938 -8.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.040 -10.677 -7.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.800 -11.030 -6.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.522 -9.493 -6.179 1.00 0.00 H new ATOM 999 N PHE A 65 -10.963 -7.785 -9.089 1.00 0.00 N ATOM 1000 CA PHE A 65 -10.465 -7.533 -10.431 1.00 0.00 C ATOM 1001 C PHE A 65 -9.758 -6.178 -10.507 1.00 0.00 C ATOM 1002 O PHE A 65 -9.468 -5.686 -11.597 1.00 0.00 O ATOM 1003 CB PHE A 65 -11.680 -7.514 -11.361 1.00 0.00 C ATOM 1004 CG PHE A 65 -12.968 -7.030 -10.694 1.00 0.00 C ATOM 1005 CD1 PHE A 65 -13.104 -5.722 -10.346 1.00 0.00 C ATOM 1006 CD2 PHE A 65 -13.978 -7.907 -10.448 1.00 0.00 C ATOM 1007 CE1 PHE A 65 -14.300 -5.273 -9.726 1.00 0.00 C ATOM 1008 CE2 PHE A 65 -15.174 -7.458 -9.828 1.00 0.00 C ATOM 1009 CZ PHE A 65 -15.310 -6.150 -9.480 1.00 0.00 C ATOM 0 H PHE A 65 -11.430 -6.991 -8.651 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.748 -8.303 -10.714 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -11.461 -6.872 -12.214 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.841 -8.519 -11.752 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -12.302 -5.025 -10.541 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -13.870 -8.945 -10.724 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -14.408 -4.235 -9.450 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -15.976 -8.155 -9.633 1.00 0.00 H new ATOM 0 HZ PHE A 65 -16.220 -5.808 -9.009 1.00 0.00 H new ATOM 1019 N ASP A 66 -9.499 -5.614 -9.337 1.00 0.00 N ATOM 1020 CA ASP A 66 -8.831 -4.327 -9.258 1.00 0.00 C ATOM 1021 C ASP A 66 -7.439 -4.516 -8.651 1.00 0.00 C ATOM 1022 O ASP A 66 -6.464 -3.942 -9.134 1.00 0.00 O ATOM 1023 CB ASP A 66 -9.608 -3.357 -8.365 1.00 0.00 C ATOM 1024 CG ASP A 66 -11.126 -3.543 -8.377 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -11.555 -4.714 -8.295 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -11.824 -2.509 -8.466 1.00 0.00 O ATOM 0 H ASP A 66 -9.740 -6.025 -8.435 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.768 -3.918 -10.266 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.252 -3.465 -7.341 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.379 -2.338 -8.676 1.00 0.00 H new ATOM 1031 N ILE A 67 -7.391 -5.323 -7.601 1.00 0.00 N ATOM 1032 CA ILE A 67 -6.135 -5.595 -6.923 1.00 0.00 C ATOM 1033 C ILE A 67 -5.006 -5.651 -7.954 1.00 0.00 C ATOM 1034 O ILE A 67 -5.245 -5.934 -9.127 1.00 0.00 O ATOM 1035 CB ILE A 67 -6.250 -6.858 -6.068 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -6.929 -7.987 -6.845 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -6.963 -6.562 -4.747 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -7.452 -9.068 -5.898 1.00 0.00 C ATOM 0 H ILE A 67 -8.202 -5.797 -7.203 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.894 -4.789 -6.229 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.244 -7.197 -5.822 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -7.754 -7.584 -7.433 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.221 -8.426 -7.548 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.032 -7.476 -4.158 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.401 -5.813 -4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.965 -6.186 -4.951 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.930 -9.858 -6.477 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.622 -9.486 -5.329 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.178 -8.631 -5.212 1.00 0.00 H new ATOM 1050 N PRO A 68 -3.767 -5.371 -7.467 1.00 0.00 N ATOM 1051 CA PRO A 68 -3.571 -5.045 -6.065 1.00 0.00 C ATOM 1052 C PRO A 68 -4.052 -3.625 -5.759 1.00 0.00 C ATOM 1053 O PRO A 68 -3.707 -2.683 -6.470 1.00 0.00 O ATOM 1054 CB PRO A 68 -2.083 -5.234 -5.821 1.00 0.00 C ATOM 1055 CG PRO A 68 -1.429 -5.206 -7.193 1.00 0.00 C ATOM 1056 CD PRO A 68 -2.526 -5.355 -8.235 1.00 0.00 C ATOM 0 HA PRO A 68 -4.154 -5.682 -5.400 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.688 -4.443 -5.184 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.887 -6.179 -5.314 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.888 -4.271 -7.339 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.702 -6.013 -7.286 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.511 -4.529 -8.946 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.404 -6.273 -8.810 1.00 0.00 H new ATOM 1064 N VAL A 69 -4.840 -3.516 -4.699 1.00 0.00 N ATOM 1065 CA VAL A 69 -5.371 -2.227 -4.290 1.00 0.00 C ATOM 1066 C VAL A 69 -4.588 -1.719 -3.078 1.00 0.00 C ATOM 1067 O VAL A 69 -4.509 -2.400 -2.056 1.00 0.00 O ATOM 1068 CB VAL A 69 -6.874 -2.340 -4.028 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -7.437 -1.023 -3.490 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -7.620 -2.781 -5.289 1.00 0.00 C ATOM 0 H VAL A 69 -5.123 -4.300 -4.111 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.248 -1.493 -5.086 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.024 -3.105 -3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.507 -1.130 -3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.938 -0.769 -2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.268 -0.230 -4.219 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.686 -2.853 -5.074 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.458 -2.051 -6.082 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.248 -3.754 -5.610 1.00 0.00 H new ATOM 1080 N PHE A 70 -4.029 -0.528 -3.231 1.00 0.00 N ATOM 1081 CA PHE A 70 -3.256 0.079 -2.161 1.00 0.00 C ATOM 1082 C PHE A 70 -4.046 1.198 -1.480 1.00 0.00 C ATOM 1083 O PHE A 70 -4.473 2.149 -2.134 1.00 0.00 O ATOM 1084 CB PHE A 70 -2.000 0.674 -2.800 1.00 0.00 C ATOM 1085 CG PHE A 70 -1.103 -0.357 -3.488 1.00 0.00 C ATOM 1086 CD1 PHE A 70 -1.300 -0.662 -4.799 1.00 0.00 C ATOM 1087 CD2 PHE A 70 -0.109 -0.968 -2.789 1.00 0.00 C ATOM 1088 CE1 PHE A 70 -0.467 -1.619 -5.437 1.00 0.00 C ATOM 1089 CE2 PHE A 70 0.723 -1.925 -3.428 1.00 0.00 C ATOM 1090 CZ PHE A 70 0.526 -2.230 -4.738 1.00 0.00 C ATOM 0 H PHE A 70 -4.096 0.033 -4.080 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.014 -0.669 -1.406 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.298 1.426 -3.531 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.422 1.188 -2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.089 -0.177 -5.354 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.047 -0.725 -1.748 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.622 -1.861 -6.478 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.512 -2.411 -2.873 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.159 -2.958 -5.224 1.00 0.00 H new ATOM 1100 N HIS A 71 -4.218 1.048 -0.175 1.00 0.00 N ATOM 1101 CA HIS A 71 -4.949 2.033 0.603 1.00 0.00 C ATOM 1102 C HIS A 71 -4.007 2.693 1.611 1.00 0.00 C ATOM 1103 O HIS A 71 -3.424 2.016 2.457 1.00 0.00 O ATOM 1104 CB HIS A 71 -6.177 1.403 1.262 1.00 0.00 C ATOM 1105 CG HIS A 71 -7.237 0.953 0.285 1.00 0.00 C ATOM 1106 ND1 HIS A 71 -8.437 0.392 0.686 1.00 0.00 N ATOM 1107 CD2 HIS A 71 -7.265 0.989 -1.078 1.00 0.00 C ATOM 1108 CE1 HIS A 71 -9.147 0.106 -0.396 1.00 0.00 C ATOM 1109 NE2 HIS A 71 -8.418 0.476 -1.488 1.00 0.00 N ATOM 0 H HIS A 71 -3.863 0.258 0.364 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.325 2.816 -0.056 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.858 0.547 1.856 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.616 2.124 1.952 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -8.726 0.227 1.650 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.481 1.370 -1.716 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.130 -0.341 -0.411 1.00 0.00 H new ATOM 1117 N LEU A 72 -3.888 4.007 1.489 1.00 0.00 N ATOM 1118 CA LEU A 72 -3.027 4.766 2.380 1.00 0.00 C ATOM 1119 C LEU A 72 -3.890 5.606 3.323 1.00 0.00 C ATOM 1120 O LEU A 72 -4.626 6.486 2.879 1.00 0.00 O ATOM 1121 CB LEU A 72 -2.016 5.587 1.577 1.00 0.00 C ATOM 1122 CG LEU A 72 -0.547 5.408 1.965 1.00 0.00 C ATOM 1123 CD1 LEU A 72 0.314 6.535 1.390 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -0.392 5.286 3.482 1.00 0.00 C ATOM 0 H LEU A 72 -4.373 4.565 0.787 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.436 4.094 3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.126 5.332 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.272 6.642 1.678 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.190 4.475 1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.353 6.383 1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.237 6.533 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.035 7.493 1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.662 5.160 3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.772 6.189 3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.955 4.423 3.837 1.00 0.00 H new ATOM 1136 N ASN A 73 -3.770 5.306 4.608 1.00 0.00 N ATOM 1137 CA ASN A 73 -4.530 6.022 5.618 1.00 0.00 C ATOM 1138 C ASN A 73 -6.021 5.736 5.427 1.00 0.00 C ATOM 1139 O ASN A 73 -6.843 6.651 5.470 1.00 0.00 O ATOM 1140 CB ASN A 73 -4.319 7.533 5.498 1.00 0.00 C ATOM 1141 CG ASN A 73 -3.343 8.037 6.563 1.00 0.00 C ATOM 1142 OD1 ASN A 73 -3.724 8.615 7.568 1.00 0.00 O ATOM 1143 ND2 ASN A 73 -2.066 7.786 6.288 1.00 0.00 N ATOM 0 H ASN A 73 -3.158 4.576 4.973 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.188 5.687 6.597 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.936 7.773 4.506 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.275 8.047 5.603 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.337 8.082 6.937 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.816 7.297 5.428 1.00 0.00 H new ATOM 1150 N GLY A 74 -6.325 4.464 5.219 1.00 0.00 N ATOM 1151 CA GLY A 74 -7.702 4.046 5.020 1.00 0.00 C ATOM 1152 C GLY A 74 -8.347 4.814 3.864 1.00 0.00 C ATOM 1153 O GLY A 74 -9.551 5.066 3.877 1.00 0.00 O ATOM 0 H GLY A 74 -5.641 3.708 5.184 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.735 2.976 4.814 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.272 4.212 5.934 1.00 0.00 H new ATOM 1157 N GLN A 75 -7.517 5.164 2.893 1.00 0.00 N ATOM 1158 CA GLN A 75 -7.991 5.898 1.732 1.00 0.00 C ATOM 1159 C GLN A 75 -7.283 5.406 0.468 1.00 0.00 C ATOM 1160 O GLN A 75 -6.082 5.612 0.305 1.00 0.00 O ATOM 1161 CB GLN A 75 -7.796 7.404 1.918 1.00 0.00 C ATOM 1162 CG GLN A 75 -9.110 8.158 1.703 1.00 0.00 C ATOM 1163 CD GLN A 75 -9.270 9.284 2.725 1.00 0.00 C ATOM 1164 OE1 GLN A 75 -8.316 9.759 3.320 1.00 0.00 O ATOM 1165 NE2 GLN A 75 -10.527 9.685 2.897 1.00 0.00 N ATOM 0 H GLN A 75 -6.519 4.953 2.886 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.060 5.714 1.622 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.418 7.604 2.920 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.045 7.767 1.216 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.135 8.571 0.695 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.948 7.466 1.785 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.280 9.245 2.367 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.738 10.432 3.559 1.00 0.00 H new ATOM 1174 N PHE A 76 -8.059 4.765 -0.394 1.00 0.00 N ATOM 1175 CA PHE A 76 -7.521 4.242 -1.639 1.00 0.00 C ATOM 1176 C PHE A 76 -6.455 5.178 -2.212 1.00 0.00 C ATOM 1177 O PHE A 76 -6.770 6.267 -2.688 1.00 0.00 O ATOM 1178 CB PHE A 76 -8.687 4.151 -2.626 1.00 0.00 C ATOM 1179 CG PHE A 76 -8.331 4.583 -4.050 1.00 0.00 C ATOM 1180 CD1 PHE A 76 -7.580 3.769 -4.840 1.00 0.00 C ATOM 1181 CD2 PHE A 76 -8.765 5.780 -4.527 1.00 0.00 C ATOM 1182 CE1 PHE A 76 -7.250 4.169 -6.162 1.00 0.00 C ATOM 1183 CE2 PHE A 76 -8.434 6.181 -5.848 1.00 0.00 C ATOM 1184 CZ PHE A 76 -7.684 5.367 -6.638 1.00 0.00 C ATOM 0 H PHE A 76 -9.055 4.596 -0.255 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.058 3.271 -1.465 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.051 3.124 -2.649 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.506 4.771 -2.263 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.235 2.818 -4.462 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.362 6.426 -3.901 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.655 3.522 -6.789 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.778 7.133 -6.226 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.433 5.672 -7.643 1.00 0.00 H new ATOM 1194 N LEU A 77 -5.214 4.719 -2.146 1.00 0.00 N ATOM 1195 CA LEU A 77 -4.099 5.501 -2.652 1.00 0.00 C ATOM 1196 C LEU A 77 -3.940 5.243 -4.152 1.00 0.00 C ATOM 1197 O LEU A 77 -3.753 6.178 -4.929 1.00 0.00 O ATOM 1198 CB LEU A 77 -2.833 5.216 -1.842 1.00 0.00 C ATOM 1199 CG LEU A 77 -1.581 4.871 -2.652 1.00 0.00 C ATOM 1200 CD1 LEU A 77 -0.939 6.132 -3.233 1.00 0.00 C ATOM 1201 CD2 LEU A 77 -0.592 4.058 -1.813 1.00 0.00 C ATOM 0 H LEU A 77 -4.956 3.815 -1.750 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.295 6.566 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.615 6.089 -1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.040 4.391 -1.161 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.880 4.246 -3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.052 5.859 -3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.651 6.634 -3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.656 6.803 -2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.289 3.826 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.294 4.637 -0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.065 3.131 -1.490 1.00 0.00 H new ATOM 1213 N MET A 78 -4.019 3.971 -4.513 1.00 0.00 N ATOM 1214 CA MET A 78 -3.886 3.579 -5.906 1.00 0.00 C ATOM 1215 C MET A 78 -4.046 2.066 -6.067 1.00 0.00 C ATOM 1216 O MET A 78 -3.754 1.305 -5.145 1.00 0.00 O ATOM 1217 CB MET A 78 -2.513 4.006 -6.428 1.00 0.00 C ATOM 1218 CG MET A 78 -1.425 3.035 -5.966 1.00 0.00 C ATOM 1219 SD MET A 78 0.184 3.659 -6.424 1.00 0.00 S ATOM 1220 CE MET A 78 1.200 2.798 -5.236 1.00 0.00 C ATOM 0 H MET A 78 -4.173 3.198 -3.865 1.00 0.00 H new ATOM 0 HA MET A 78 -4.671 4.072 -6.479 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.531 4.047 -7.517 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.282 5.011 -6.075 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.479 2.903 -4.885 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.586 2.055 -6.415 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.252 2.962 -5.470 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.988 3.175 -4.235 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.981 1.731 -5.276 1.00 0.00 H new ATOM 1230 N MET A 79 -4.509 1.674 -7.245 1.00 0.00 N ATOM 1231 CA MET A 79 -4.711 0.265 -7.538 1.00 0.00 C ATOM 1232 C MET A 79 -4.503 -0.020 -9.027 1.00 0.00 C ATOM 1233 O MET A 79 -4.558 0.892 -9.851 1.00 0.00 O ATOM 1234 CB MET A 79 -6.129 -0.143 -7.134 1.00 0.00 C ATOM 1235 CG MET A 79 -7.172 0.727 -7.838 1.00 0.00 C ATOM 1236 SD MET A 79 -8.812 0.103 -7.508 1.00 0.00 S ATOM 1237 CE MET A 79 -9.727 1.635 -7.483 1.00 0.00 C ATOM 0 H MET A 79 -4.750 2.307 -8.007 1.00 0.00 H new ATOM 0 HA MET A 79 -3.982 -0.313 -6.970 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.295 -1.191 -7.385 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.244 -0.052 -6.054 1.00 0.00 H new ATOM 0 HG2 MET A 79 -7.090 1.758 -7.493 1.00 0.00 H new ATOM 0 HG3 MET A 79 -6.986 0.734 -8.912 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.791 1.422 -7.376 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.393 2.245 -6.643 1.00 0.00 H new ATOM 0 HE3 MET A 79 -9.557 2.176 -8.414 1.00 0.00 H new ATOM 1247 N HIS A 80 -4.269 -1.289 -9.327 1.00 0.00 N ATOM 1248 CA HIS A 80 -4.053 -1.705 -10.702 1.00 0.00 C ATOM 1249 C HIS A 80 -2.571 -1.565 -11.054 1.00 0.00 C ATOM 1250 O HIS A 80 -2.189 -1.701 -12.215 1.00 0.00 O ATOM 1251 CB HIS A 80 -4.965 -0.929 -11.655 1.00 0.00 C ATOM 1252 CG HIS A 80 -6.396 -0.822 -11.184 1.00 0.00 C ATOM 1253 ND1 HIS A 80 -7.380 -0.181 -11.917 1.00 0.00 N ATOM 1254 CD2 HIS A 80 -6.998 -1.281 -10.050 1.00 0.00 C ATOM 1255 CE1 HIS A 80 -8.518 -0.256 -11.243 1.00 0.00 C ATOM 1256 NE2 HIS A 80 -8.279 -0.938 -10.086 1.00 0.00 N ATOM 0 H HIS A 80 -4.224 -2.043 -8.641 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.319 -2.756 -10.813 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -4.562 0.075 -11.791 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.950 -1.413 -12.631 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -7.251 0.272 -12.822 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.514 -1.831 -9.257 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.468 0.151 -11.555 1.00 0.00 H new ATOM 1264 N ARG A 81 -1.776 -1.293 -10.030 1.00 0.00 N ATOM 1265 CA ARG A 81 -0.344 -1.132 -10.216 1.00 0.00 C ATOM 1266 C ARG A 81 0.275 -0.440 -8.999 1.00 0.00 C ATOM 1267 O ARG A 81 -0.410 -0.186 -8.010 1.00 0.00 O ATOM 1268 CB ARG A 81 -0.040 -0.310 -11.470 1.00 0.00 C ATOM 1269 CG ARG A 81 -0.946 0.920 -11.552 1.00 0.00 C ATOM 1270 CD ARG A 81 -1.518 1.087 -12.961 1.00 0.00 C ATOM 1271 NE ARG A 81 -2.733 1.931 -12.917 1.00 0.00 N ATOM 1272 CZ ARG A 81 -3.444 2.281 -13.998 1.00 0.00 C ATOM 1273 NH1 ARG A 81 -3.065 1.863 -15.213 1.00 0.00 N ATOM 1274 NH2 ARG A 81 -4.533 3.050 -13.863 1.00 0.00 N ATOM 0 H ARG A 81 -2.096 -1.180 -9.068 1.00 0.00 H new ATOM 0 HA ARG A 81 0.089 -2.126 -10.333 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.004 0.003 -11.460 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.179 -0.928 -12.357 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.761 0.825 -10.834 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.381 1.811 -11.277 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.773 1.542 -13.613 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.758 0.111 -13.383 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.049 2.267 -12.007 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.235 1.278 -15.315 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.606 2.129 -16.036 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.821 3.369 -12.938 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.074 3.317 -14.685 1.00 0.00 H new ATOM 1288 N VAL A 82 1.564 -0.156 -9.113 1.00 0.00 N ATOM 1289 CA VAL A 82 2.283 0.502 -8.035 1.00 0.00 C ATOM 1290 C VAL A 82 3.029 1.717 -8.591 1.00 0.00 C ATOM 1291 O VAL A 82 4.232 1.651 -8.840 1.00 0.00 O ATOM 1292 CB VAL A 82 3.207 -0.498 -7.337 1.00 0.00 C ATOM 1293 CG1 VAL A 82 3.868 0.131 -6.108 1.00 0.00 C ATOM 1294 CG2 VAL A 82 2.450 -1.773 -6.959 1.00 0.00 C ATOM 0 H VAL A 82 2.129 -0.369 -9.935 1.00 0.00 H new ATOM 0 HA VAL A 82 1.588 0.866 -7.279 1.00 0.00 H new ATOM 0 HB VAL A 82 3.995 -0.771 -8.039 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.519 -0.601 -5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.457 0.996 -6.414 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.099 0.447 -5.403 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.130 -2.467 -6.465 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.632 -1.524 -6.284 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.048 -2.238 -7.859 1.00 0.00 H new ATOM 1304 N ASN A 83 2.283 2.797 -8.769 1.00 0.00 N ATOM 1305 CA ASN A 83 2.859 4.025 -9.292 1.00 0.00 C ATOM 1306 C ASN A 83 3.569 4.771 -8.161 1.00 0.00 C ATOM 1307 O ASN A 83 3.009 5.695 -7.573 1.00 0.00 O ATOM 1308 CB ASN A 83 1.774 4.945 -9.856 1.00 0.00 C ATOM 1309 CG ASN A 83 1.785 4.931 -11.386 1.00 0.00 C ATOM 1310 OD1 ASN A 83 0.979 4.283 -12.033 1.00 0.00 O ATOM 1311 ND2 ASN A 83 2.742 5.680 -11.927 1.00 0.00 N ATOM 0 H ASN A 83 1.286 2.848 -8.561 1.00 0.00 H new ATOM 0 HA ASN A 83 3.556 3.759 -10.087 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.797 4.626 -9.493 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.932 5.962 -9.497 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.833 5.736 -12.941 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.384 6.198 -11.327 1.00 0.00 H new ATOM 1318 N THR A 84 4.794 4.343 -7.890 1.00 0.00 N ATOM 1319 CA THR A 84 5.587 4.959 -6.840 1.00 0.00 C ATOM 1320 C THR A 84 5.349 6.470 -6.809 1.00 0.00 C ATOM 1321 O THR A 84 4.985 7.023 -5.772 1.00 0.00 O ATOM 1322 CB THR A 84 7.051 4.579 -7.069 1.00 0.00 C ATOM 1323 OG1 THR A 84 7.262 4.829 -8.456 1.00 0.00 O ATOM 1324 CG2 THR A 84 7.296 3.076 -6.920 1.00 0.00 C ATOM 0 H THR A 84 5.256 3.577 -8.380 1.00 0.00 H new ATOM 0 HA THR A 84 5.292 4.595 -5.856 1.00 0.00 H new ATOM 0 HB THR A 84 7.681 5.121 -6.364 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.188 4.611 -8.691 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.350 2.860 -7.093 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.021 2.761 -5.914 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.691 2.535 -7.648 1.00 0.00 H new ATOM 1332 N SER A 85 5.565 7.094 -7.957 1.00 0.00 N ATOM 1333 CA SER A 85 5.379 8.531 -8.074 1.00 0.00 C ATOM 1334 C SER A 85 4.193 8.976 -7.217 1.00 0.00 C ATOM 1335 O SER A 85 4.237 10.035 -6.593 1.00 0.00 O ATOM 1336 CB SER A 85 5.164 8.941 -9.533 1.00 0.00 C ATOM 1337 OG SER A 85 6.131 9.894 -9.967 1.00 0.00 O ATOM 0 H SER A 85 5.867 6.632 -8.815 1.00 0.00 H new ATOM 0 HA SER A 85 6.283 9.024 -7.716 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.215 8.057 -10.169 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.164 9.360 -9.648 1.00 0.00 H new ATOM 0 HG SER A 85 5.961 10.129 -10.903 1.00 0.00 H new ATOM 1343 N LYS A 86 3.160 8.146 -7.215 1.00 0.00 N ATOM 1344 CA LYS A 86 1.964 8.441 -6.445 1.00 0.00 C ATOM 1345 C LYS A 86 2.234 8.163 -4.965 1.00 0.00 C ATOM 1346 O LYS A 86 2.152 9.068 -4.135 1.00 0.00 O ATOM 1347 CB LYS A 86 0.764 7.675 -7.005 1.00 0.00 C ATOM 1348 CG LYS A 86 -0.447 8.597 -7.168 1.00 0.00 C ATOM 1349 CD LYS A 86 -1.230 8.255 -8.437 1.00 0.00 C ATOM 1350 CE LYS A 86 -2.345 7.250 -8.140 1.00 0.00 C ATOM 1351 NZ LYS A 86 -3.666 7.831 -8.465 1.00 0.00 N ATOM 0 H LYS A 86 3.127 7.269 -7.735 1.00 0.00 H new ATOM 0 HA LYS A 86 1.707 9.497 -6.530 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.025 7.237 -7.969 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.511 6.851 -6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.098 8.505 -6.299 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.116 9.635 -7.209 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.658 9.164 -8.860 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.554 7.842 -9.186 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.188 6.341 -8.721 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.315 6.965 -7.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.411 7.136 -8.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.820 8.685 -7.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.697 8.081 -9.474 1.00 0.00 H new ATOM 1365 N LEU A 87 2.551 6.909 -4.679 1.00 0.00 N ATOM 1366 CA LEU A 87 2.834 6.501 -3.314 1.00 0.00 C ATOM 1367 C LEU A 87 3.706 7.562 -2.639 1.00 0.00 C ATOM 1368 O LEU A 87 3.279 8.204 -1.681 1.00 0.00 O ATOM 1369 CB LEU A 87 3.442 5.098 -3.289 1.00 0.00 C ATOM 1370 CG LEU A 87 4.313 4.766 -2.075 1.00 0.00 C ATOM 1371 CD1 LEU A 87 3.525 4.926 -0.774 1.00 0.00 C ATOM 1372 CD2 LEU A 87 4.926 3.370 -2.206 1.00 0.00 C ATOM 0 H LEU A 87 2.618 6.162 -5.370 1.00 0.00 H new ATOM 0 HA LEU A 87 1.911 6.433 -2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.631 4.371 -3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.043 4.968 -4.189 1.00 0.00 H new ATOM 0 HG LEU A 87 5.137 5.478 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.167 4.684 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.178 5.955 -0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.668 4.253 -0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.540 3.159 -1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.130 2.629 -2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.545 3.327 -3.102 1.00 0.00 H new ATOM 1384 N GLU A 88 4.912 7.712 -3.166 1.00 0.00 N ATOM 1385 CA GLU A 88 5.848 8.684 -2.627 1.00 0.00 C ATOM 1386 C GLU A 88 5.133 10.004 -2.334 1.00 0.00 C ATOM 1387 O GLU A 88 5.152 10.487 -1.202 1.00 0.00 O ATOM 1388 CB GLU A 88 7.026 8.899 -3.580 1.00 0.00 C ATOM 1389 CG GLU A 88 7.529 7.566 -4.138 1.00 0.00 C ATOM 1390 CD GLU A 88 9.045 7.597 -4.349 1.00 0.00 C ATOM 1391 OE1 GLU A 88 9.760 7.275 -3.376 1.00 0.00 O ATOM 1392 OE2 GLU A 88 9.453 7.943 -5.479 1.00 0.00 O ATOM 0 H GLU A 88 5.263 7.177 -3.960 1.00 0.00 H new ATOM 0 HA GLU A 88 6.247 8.294 -1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.721 9.549 -4.400 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.835 9.406 -3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.270 6.760 -3.452 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.031 7.352 -5.084 1.00 0.00 H new ATOM 1399 N LYS A 89 4.519 10.551 -3.373 1.00 0.00 N ATOM 1400 CA LYS A 89 3.799 11.806 -3.241 1.00 0.00 C ATOM 1401 C LYS A 89 2.943 11.767 -1.973 1.00 0.00 C ATOM 1402 O LYS A 89 3.062 12.638 -1.112 1.00 0.00 O ATOM 1403 CB LYS A 89 3.001 12.103 -4.512 1.00 0.00 C ATOM 1404 CG LYS A 89 2.756 13.605 -4.667 1.00 0.00 C ATOM 1405 CD LYS A 89 1.529 14.046 -3.866 1.00 0.00 C ATOM 1406 CE LYS A 89 0.618 14.942 -4.707 1.00 0.00 C ATOM 1407 NZ LYS A 89 -0.530 14.169 -5.232 1.00 0.00 N ATOM 0 H LYS A 89 4.505 10.148 -4.310 1.00 0.00 H new ATOM 0 HA LYS A 89 4.497 12.635 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.541 11.727 -5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.047 11.577 -4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.633 14.157 -4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.613 13.847 -5.720 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.974 13.169 -3.531 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.847 14.582 -2.972 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.257 15.774 -4.102 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.183 15.371 -5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.138 14.793 -5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.181 13.390 -5.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.079 13.780 -4.439 1.00 0.00 H new ATOM 1421 N GLN A 90 2.099 10.749 -1.898 1.00 0.00 N ATOM 1422 CA GLN A 90 1.223 10.585 -0.750 1.00 0.00 C ATOM 1423 C GLN A 90 2.037 10.607 0.545 1.00 0.00 C ATOM 1424 O GLN A 90 1.782 11.423 1.429 1.00 0.00 O ATOM 1425 CB GLN A 90 0.407 9.296 -0.863 1.00 0.00 C ATOM 1426 CG GLN A 90 -0.808 9.494 -1.773 1.00 0.00 C ATOM 1427 CD GLN A 90 -0.377 9.686 -3.228 1.00 0.00 C ATOM 1428 OE1 GLN A 90 -0.263 8.746 -3.998 1.00 0.00 O ATOM 1429 NE2 GLN A 90 -0.146 10.953 -3.561 1.00 0.00 N ATOM 0 H GLN A 90 2.003 10.029 -2.614 1.00 0.00 H new ATOM 0 HA GLN A 90 0.522 11.419 -0.730 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.035 8.497 -1.258 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.077 8.982 0.127 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.469 8.630 -1.697 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.378 10.362 -1.441 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.261 11.692 -2.867 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.146 11.186 -4.510 1.00 0.00 H new ATOM 1438 N LEU A 91 3.000 9.699 0.617 1.00 0.00 N ATOM 1439 CA LEU A 91 3.853 9.604 1.789 1.00 0.00 C ATOM 1440 C LEU A 91 4.160 11.011 2.307 1.00 0.00 C ATOM 1441 O LEU A 91 3.811 11.350 3.436 1.00 0.00 O ATOM 1442 CB LEU A 91 5.102 8.777 1.478 1.00 0.00 C ATOM 1443 CG LEU A 91 4.901 7.262 1.400 1.00 0.00 C ATOM 1444 CD1 LEU A 91 5.947 6.617 0.489 1.00 0.00 C ATOM 1445 CD2 LEU A 91 4.893 6.637 2.797 1.00 0.00 C ATOM 0 H LEU A 91 3.208 9.023 -0.118 1.00 0.00 H new ATOM 0 HA LEU A 91 3.340 9.074 2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.512 9.119 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.851 8.985 2.242 1.00 0.00 H new ATOM 0 HG LEU A 91 3.924 7.069 0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.782 5.540 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.861 7.033 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.944 6.817 0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.749 5.560 2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.844 6.838 3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.081 7.067 3.383 1.00 0.00 H new