USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 565 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 171:sc=-0.00389 (180deg=-0.0951) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 29 HIS : no HE2:sc= -2.83! C(o=-2.8!,f=-2.6!) USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= 1.06 (180deg=0.782) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc=-0.00341 X(o=-0.0034,f=-0.24) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.475 X(o=-0.48,f=-0.036) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 159:sc= 0.849 USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= 1.25 (180deg=1.07) USER MOD Single : A 69 THR OG1 : rot -170:sc= 0.286 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 110:sc= 0.862 USER MOD Single : A 76 TYR OH : rot 180:sc= 0.0775 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00142 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N GLU A 14 -12.742 -4.917 -11.373 1.00 0.00 N ATOM 245 CA GLU A 14 -12.835 -6.139 -10.619 1.00 0.00 C ATOM 246 C GLU A 14 -12.876 -5.833 -9.137 1.00 0.00 C ATOM 247 O GLU A 14 -13.846 -6.147 -8.454 1.00 0.00 O ATOM 248 CB GLU A 14 -11.639 -7.042 -10.961 1.00 0.00 C ATOM 249 CG GLU A 14 -11.519 -8.311 -10.134 1.00 0.00 C ATOM 250 CD GLU A 14 -12.663 -9.261 -10.323 1.00 0.00 C ATOM 251 OE1 GLU A 14 -12.602 -10.095 -11.243 1.00 0.00 O ATOM 252 OE2 GLU A 14 -13.611 -9.218 -9.542 1.00 0.00 O ATOM 0 HA GLU A 14 -13.755 -6.662 -10.881 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.705 -7.320 -12.013 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.723 -6.463 -10.841 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.590 -8.818 -10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.451 -8.043 -9.080 1.00 0.00 H new ATOM 259 N ILE A 15 -11.862 -5.144 -8.672 1.00 0.00 N ATOM 260 CA ILE A 15 -11.695 -4.855 -7.256 1.00 0.00 C ATOM 261 C ILE A 15 -12.846 -4.035 -6.680 1.00 0.00 C ATOM 262 O ILE A 15 -13.165 -4.143 -5.498 1.00 0.00 O ATOM 263 CB ILE A 15 -10.306 -4.171 -6.973 1.00 0.00 C ATOM 264 CG1 ILE A 15 -10.133 -2.798 -7.674 1.00 0.00 C ATOM 265 CG2 ILE A 15 -9.188 -5.089 -7.416 1.00 0.00 C ATOM 266 CD1 ILE A 15 -10.828 -1.616 -7.026 1.00 0.00 C ATOM 0 H ILE A 15 -11.123 -4.763 -9.263 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.712 -5.815 -6.740 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.269 -3.989 -5.899 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.067 -2.577 -7.733 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.497 -2.889 -8.697 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.227 -4.613 -7.219 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.248 -6.028 -6.865 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.282 -5.288 -8.483 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.632 -0.715 -7.608 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.902 -1.800 -6.991 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.450 -1.483 -6.012 1.00 0.00 H new ATOM 278 N LYS A 16 -13.511 -3.292 -7.538 1.00 0.00 N ATOM 279 CA LYS A 16 -14.518 -2.354 -7.105 1.00 0.00 C ATOM 280 C LYS A 16 -15.781 -3.100 -6.744 1.00 0.00 C ATOM 281 O LYS A 16 -16.526 -2.709 -5.851 1.00 0.00 O ATOM 282 CB LYS A 16 -14.817 -1.373 -8.219 1.00 0.00 C ATOM 283 CG LYS A 16 -15.365 -0.043 -7.757 1.00 0.00 C ATOM 284 CD LYS A 16 -15.869 0.788 -8.945 1.00 0.00 C ATOM 285 CE LYS A 16 -14.778 1.048 -10.006 1.00 0.00 C ATOM 286 NZ LYS A 16 -13.649 1.857 -9.492 1.00 0.00 N ATOM 0 H LYS A 16 -13.369 -3.322 -8.548 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.151 -1.812 -6.234 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -13.902 -1.197 -8.785 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.533 -1.828 -8.903 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -16.180 -0.207 -7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.590 0.509 -7.226 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -16.707 0.272 -9.413 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -16.247 1.743 -8.579 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -14.397 0.093 -10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -15.224 1.558 -10.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.950 1.998 -10.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.002 2.781 -9.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.201 1.361 -8.695 1.00 0.00 H new ATOM 300 N LYS A 17 -16.005 -4.177 -7.432 1.00 0.00 N ATOM 301 CA LYS A 17 -17.173 -4.983 -7.231 1.00 0.00 C ATOM 302 C LYS A 17 -16.857 -6.157 -6.310 1.00 0.00 C ATOM 303 O LYS A 17 -17.636 -6.479 -5.421 1.00 0.00 O ATOM 304 CB LYS A 17 -17.695 -5.448 -8.586 1.00 0.00 C ATOM 305 CG LYS A 17 -18.200 -4.298 -9.464 1.00 0.00 C ATOM 306 CD LYS A 17 -18.393 -4.714 -10.918 1.00 0.00 C ATOM 307 CE LYS A 17 -19.342 -5.890 -11.074 1.00 0.00 C ATOM 308 NZ LYS A 17 -19.447 -6.310 -12.482 1.00 0.00 N ATOM 0 H LYS A 17 -15.377 -4.526 -8.156 1.00 0.00 H new ATOM 0 HA LYS A 17 -17.952 -4.396 -6.744 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -16.900 -5.977 -9.112 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -18.505 -6.161 -8.431 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -19.146 -3.930 -9.066 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -17.491 -3.471 -9.417 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -18.776 -3.866 -11.486 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -17.426 -4.974 -11.348 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -18.992 -6.726 -10.468 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -20.328 -5.616 -10.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -20.102 -7.115 -12.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -19.804 -5.519 -13.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -18.509 -6.594 -12.831 1.00 0.00 H new ATOM 322 N LYS A 18 -15.686 -6.744 -6.495 1.00 0.00 N ATOM 323 CA LYS A 18 -15.256 -7.901 -5.715 1.00 0.00 C ATOM 324 C LYS A 18 -15.051 -7.551 -4.254 1.00 0.00 C ATOM 325 O LYS A 18 -15.474 -8.285 -3.363 1.00 0.00 O ATOM 326 CB LYS A 18 -13.969 -8.487 -6.307 1.00 0.00 C ATOM 327 CG LYS A 18 -13.457 -9.751 -5.616 1.00 0.00 C ATOM 328 CD LYS A 18 -12.279 -10.359 -6.369 1.00 0.00 C ATOM 329 CE LYS A 18 -11.107 -9.404 -6.456 1.00 0.00 C ATOM 330 NZ LYS A 18 -9.995 -9.964 -7.235 1.00 0.00 N ATOM 0 H LYS A 18 -15.005 -6.435 -7.188 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.048 -8.648 -5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.140 -8.711 -7.360 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.189 -7.727 -6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.155 -9.513 -4.596 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.263 -10.482 -5.547 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.964 -11.275 -5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.596 -10.637 -7.374 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.434 -8.470 -6.912 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.760 -9.164 -5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.215 -9.277 -7.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.664 -10.842 -6.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.318 -10.170 -8.202 1.00 0.00 H new ATOM 344 N PHE A 19 -14.419 -6.425 -4.004 1.00 0.00 N ATOM 345 CA PHE A 19 -14.132 -6.014 -2.636 1.00 0.00 C ATOM 346 C PHE A 19 -15.156 -5.032 -2.127 1.00 0.00 C ATOM 347 O PHE A 19 -15.046 -4.545 -0.985 1.00 0.00 O ATOM 348 CB PHE A 19 -12.738 -5.399 -2.530 1.00 0.00 C ATOM 349 CG PHE A 19 -11.632 -6.328 -2.925 1.00 0.00 C ATOM 350 CD1 PHE A 19 -11.576 -7.615 -2.423 1.00 0.00 C ATOM 351 CD2 PHE A 19 -10.648 -5.912 -3.796 1.00 0.00 C ATOM 352 CE1 PHE A 19 -10.560 -8.466 -2.783 1.00 0.00 C ATOM 353 CE2 PHE A 19 -9.628 -6.759 -4.159 1.00 0.00 C ATOM 354 CZ PHE A 19 -9.583 -8.038 -3.653 1.00 0.00 C ATOM 0 H PHE A 19 -14.093 -5.777 -4.721 1.00 0.00 H new ATOM 0 HA PHE A 19 -14.174 -6.911 -2.018 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.695 -4.510 -3.160 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.574 -5.070 -1.504 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -12.340 -7.955 -1.740 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.679 -4.910 -4.198 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.528 -9.469 -2.384 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -8.862 -6.421 -4.841 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.783 -8.705 -3.938 1.00 0.00 H new ATOM 364 N LYS A 20 -16.168 -4.758 -2.963 1.00 0.00 N ATOM 365 CA LYS A 20 -17.213 -3.785 -2.655 1.00 0.00 C ATOM 366 C LYS A 20 -16.580 -2.440 -2.294 1.00 0.00 C ATOM 367 O LYS A 20 -16.463 -2.067 -1.127 1.00 0.00 O ATOM 368 CB LYS A 20 -18.168 -4.329 -1.565 1.00 0.00 C ATOM 369 CG LYS A 20 -19.233 -3.367 -1.068 1.00 0.00 C ATOM 370 CD LYS A 20 -20.110 -4.046 -0.032 1.00 0.00 C ATOM 371 CE LYS A 20 -21.058 -3.077 0.654 1.00 0.00 C ATOM 372 NZ LYS A 20 -21.863 -2.306 -0.306 1.00 0.00 N ATOM 0 H LYS A 20 -16.280 -5.208 -3.871 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.832 -3.618 -3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -18.664 -5.217 -1.956 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -17.569 -4.648 -0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.763 -2.484 -0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -19.843 -3.025 -1.904 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -20.688 -4.836 -0.512 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.478 -4.523 0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -21.721 -3.631 1.318 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -20.484 -2.391 1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -22.596 -1.774 0.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -21.249 -1.643 -0.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -22.314 -2.956 -0.982 1.00 0.00 H new ATOM 386 N LEU A 21 -16.095 -1.764 -3.302 1.00 0.00 N ATOM 387 CA LEU A 21 -15.356 -0.538 -3.106 1.00 0.00 C ATOM 388 C LEU A 21 -16.164 0.673 -3.536 1.00 0.00 C ATOM 389 O LEU A 21 -15.614 1.767 -3.666 1.00 0.00 O ATOM 390 CB LEU A 21 -14.061 -0.582 -3.908 1.00 0.00 C ATOM 391 CG LEU A 21 -12.878 0.107 -3.235 1.00 0.00 C ATOM 392 CD1 LEU A 21 -12.517 -0.623 -1.962 1.00 0.00 C ATOM 393 CD2 LEU A 21 -11.692 0.177 -4.160 1.00 0.00 C ATOM 0 H LEU A 21 -16.198 -2.043 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.138 -0.448 -2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.800 -1.623 -4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.233 -0.116 -4.878 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.167 1.129 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.672 -0.127 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.371 -0.617 -1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.248 -1.653 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.864 0.673 -3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.392 -0.832 -4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.960 0.740 -5.054 1.00 0.00 H new ATOM 405 N THR A 22 -17.444 0.476 -3.742 1.00 0.00 N ATOM 406 CA THR A 22 -18.347 1.533 -4.148 1.00 0.00 C ATOM 407 C THR A 22 -18.325 2.714 -3.164 1.00 0.00 C ATOM 408 O THR A 22 -18.764 2.603 -2.007 1.00 0.00 O ATOM 409 CB THR A 22 -19.757 0.959 -4.312 1.00 0.00 C ATOM 410 OG1 THR A 22 -19.872 -0.225 -3.485 1.00 0.00 O ATOM 411 CG2 THR A 22 -20.026 0.598 -5.762 1.00 0.00 C ATOM 0 H THR A 22 -17.896 -0.432 -3.632 1.00 0.00 H new ATOM 0 HA THR A 22 -18.013 1.930 -5.107 1.00 0.00 H new ATOM 0 HB THR A 22 -20.488 1.708 -4.007 1.00 0.00 H new ATOM 0 HG1 THR A 22 -20.771 -0.603 -3.578 1.00 0.00 H new ATOM 0 HG21 THR A 22 -21.033 0.192 -5.855 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.935 1.490 -6.382 1.00 0.00 H new ATOM 0 HG23 THR A 22 -19.303 -0.148 -6.092 1.00 0.00 H new ATOM 419 N GLY A 23 -17.769 3.808 -3.619 1.00 0.00 N ATOM 420 CA GLY A 23 -17.598 4.981 -2.817 1.00 0.00 C ATOM 421 C GLY A 23 -16.227 5.563 -3.071 1.00 0.00 C ATOM 422 O GLY A 23 -15.429 4.940 -3.777 1.00 0.00 O ATOM 0 H GLY A 23 -17.419 3.905 -4.572 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -18.367 5.715 -3.057 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.711 4.734 -1.761 1.00 0.00 H new ATOM 426 N PRO A 24 -15.915 6.742 -2.556 1.00 0.00 N ATOM 427 CA PRO A 24 -14.614 7.356 -2.748 1.00 0.00 C ATOM 428 C PRO A 24 -13.601 6.876 -1.701 1.00 0.00 C ATOM 429 O PRO A 24 -13.725 7.188 -0.510 1.00 0.00 O ATOM 430 CB PRO A 24 -14.893 8.864 -2.576 1.00 0.00 C ATOM 431 CG PRO A 24 -16.332 8.977 -2.136 1.00 0.00 C ATOM 432 CD PRO A 24 -16.791 7.595 -1.758 1.00 0.00 C ATOM 0 HA PRO A 24 -14.179 7.104 -3.715 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.224 9.302 -1.835 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.728 9.400 -3.511 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.423 9.658 -1.290 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -16.949 9.381 -2.938 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -16.677 7.407 -0.690 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -17.842 7.436 -1.999 1.00 0.00 H new ATOM 440 N ILE A 25 -12.630 6.102 -2.121 1.00 0.00 N ATOM 441 CA ILE A 25 -11.622 5.619 -1.202 1.00 0.00 C ATOM 442 C ILE A 25 -10.435 6.574 -1.091 1.00 0.00 C ATOM 443 O ILE A 25 -10.041 7.218 -2.073 1.00 0.00 O ATOM 444 CB ILE A 25 -11.190 4.122 -1.450 1.00 0.00 C ATOM 445 CG1 ILE A 25 -10.831 3.803 -2.931 1.00 0.00 C ATOM 446 CG2 ILE A 25 -12.267 3.172 -0.957 1.00 0.00 C ATOM 447 CD1 ILE A 25 -9.535 4.407 -3.444 1.00 0.00 C ATOM 0 H ILE A 25 -12.514 5.793 -3.086 1.00 0.00 H new ATOM 0 HA ILE A 25 -12.103 5.605 -0.224 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.273 3.978 -0.878 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.775 2.721 -3.046 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.647 4.150 -3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.954 2.143 -1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.425 3.324 0.111 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -13.196 3.366 -1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.387 4.119 -4.485 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.586 5.493 -3.371 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.701 4.042 -2.844 1.00 0.00 H new ATOM 459 N GLN A 26 -9.921 6.710 0.106 1.00 0.00 N ATOM 460 CA GLN A 26 -8.811 7.596 0.394 1.00 0.00 C ATOM 461 C GLN A 26 -7.725 6.867 1.085 1.00 0.00 C ATOM 462 O GLN A 26 -7.964 6.008 1.937 1.00 0.00 O ATOM 463 CB GLN A 26 -9.268 8.827 1.180 1.00 0.00 C ATOM 464 CG GLN A 26 -10.162 9.757 0.373 1.00 0.00 C ATOM 465 CD GLN A 26 -10.684 10.934 1.163 1.00 0.00 C ATOM 466 OE1 GLN A 26 -10.917 10.846 2.374 1.00 0.00 O ATOM 467 NE2 GLN A 26 -10.853 12.048 0.502 1.00 0.00 N ATOM 0 H GLN A 26 -10.264 6.203 0.922 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.411 7.959 -0.553 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.804 8.502 2.072 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.392 9.380 1.519 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.604 10.127 -0.487 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.007 9.188 -0.015 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.651 12.084 -0.497 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.187 12.882 0.985 1.00 0.00 H new ATOM 476 N VAL A 27 -6.540 7.190 0.675 1.00 0.00 N ATOM 477 CA VAL A 27 -5.343 6.571 1.137 1.00 0.00 C ATOM 478 C VAL A 27 -5.100 6.946 2.591 1.00 0.00 C ATOM 479 O VAL A 27 -4.914 8.126 2.917 1.00 0.00 O ATOM 480 CB VAL A 27 -4.149 7.040 0.289 1.00 0.00 C ATOM 481 CG1 VAL A 27 -2.923 6.311 0.702 1.00 0.00 C ATOM 482 CG2 VAL A 27 -4.409 6.842 -1.194 1.00 0.00 C ATOM 0 H VAL A 27 -6.375 7.921 -0.018 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.448 5.490 1.049 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.008 8.108 0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.080 6.646 0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.718 6.510 1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.070 5.241 0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.545 7.184 -1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.581 5.785 -1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.288 7.415 -1.489 1.00 0.00 H new ATOM 492 N ILE A 28 -5.117 5.968 3.457 1.00 0.00 N ATOM 493 CA ILE A 28 -4.949 6.218 4.871 1.00 0.00 C ATOM 494 C ILE A 28 -3.459 6.294 5.214 1.00 0.00 C ATOM 495 O ILE A 28 -3.008 7.201 5.919 1.00 0.00 O ATOM 496 CB ILE A 28 -5.630 5.103 5.714 1.00 0.00 C ATOM 497 CG1 ILE A 28 -7.115 4.956 5.326 1.00 0.00 C ATOM 498 CG2 ILE A 28 -5.497 5.391 7.204 1.00 0.00 C ATOM 499 CD1 ILE A 28 -7.945 6.212 5.531 1.00 0.00 C ATOM 0 H ILE A 28 -5.246 4.987 3.211 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.424 7.170 5.111 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.122 4.163 5.500 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.177 4.662 4.278 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.552 4.147 5.911 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.981 4.597 7.773 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.442 5.438 7.473 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.973 6.344 7.434 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.976 6.020 5.233 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.918 6.498 6.582 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.537 7.021 4.925 1.00 0.00 H new ATOM 511 N HIS A 29 -2.708 5.365 4.682 1.00 0.00 N ATOM 512 CA HIS A 29 -1.262 5.262 4.873 1.00 0.00 C ATOM 513 C HIS A 29 -0.707 4.556 3.678 1.00 0.00 C ATOM 514 O HIS A 29 -1.471 4.038 2.856 1.00 0.00 O ATOM 515 CB HIS A 29 -0.858 4.407 6.128 1.00 0.00 C ATOM 516 CG HIS A 29 -1.015 5.033 7.486 1.00 0.00 C ATOM 517 ND1 HIS A 29 0.054 5.478 8.234 1.00 0.00 N ATOM 518 CD2 HIS A 29 -2.108 5.238 8.249 1.00 0.00 C ATOM 519 CE1 HIS A 29 -0.387 5.932 9.392 1.00 0.00 C ATOM 520 NE2 HIS A 29 -1.691 5.797 9.418 1.00 0.00 N ATOM 0 H HIS A 29 -3.086 4.631 4.083 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.877 6.272 5.013 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -1.448 3.490 6.112 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.186 4.116 6.012 1.00 0.00 H new ATOM 0 HD1 HIS A 29 1.030 5.459 7.939 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.127 5.002 7.982 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.222 6.344 10.183 1.00 0.00 H new ATOM 529 N LEU A 30 0.578 4.520 3.573 1.00 0.00 N ATOM 530 CA LEU A 30 1.206 3.705 2.590 1.00 0.00 C ATOM 531 C LEU A 30 1.721 2.494 3.298 1.00 0.00 C ATOM 532 O LEU A 30 2.334 2.605 4.367 1.00 0.00 O ATOM 533 CB LEU A 30 2.360 4.409 1.836 1.00 0.00 C ATOM 534 CG LEU A 30 1.998 5.487 0.794 1.00 0.00 C ATOM 535 CD1 LEU A 30 1.392 6.721 1.431 1.00 0.00 C ATOM 536 CD2 LEU A 30 3.218 5.856 -0.028 1.00 0.00 C ATOM 0 H LEU A 30 1.219 5.051 4.162 1.00 0.00 H new ATOM 0 HA LEU A 30 0.471 3.459 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.011 4.869 2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.945 3.641 1.331 1.00 0.00 H new ATOM 0 HG LEU A 30 1.240 5.061 0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.154 7.451 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.481 6.446 1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.104 7.155 2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.947 6.618 -0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.996 6.244 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.589 4.972 -0.546 1.00 0.00 H new ATOM 548 N ALA A 31 1.403 1.371 2.775 1.00 0.00 N ATOM 549 CA ALA A 31 1.879 0.140 3.290 1.00 0.00 C ATOM 550 C ALA A 31 2.978 -0.353 2.378 1.00 0.00 C ATOM 551 O ALA A 31 3.165 0.144 1.276 1.00 0.00 O ATOM 552 CB ALA A 31 0.733 -0.859 3.385 1.00 0.00 C ATOM 0 H ALA A 31 0.794 1.277 1.962 1.00 0.00 H new ATOM 0 HA ALA A 31 2.280 0.266 4.296 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.106 -1.803 3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.038 -0.466 4.048 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.310 -1.023 2.394 1.00 0.00 H new ATOM 558 N LYS A 32 3.696 -1.285 2.814 1.00 0.00 N ATOM 559 CA LYS A 32 4.750 -1.813 2.071 1.00 0.00 C ATOM 560 C LYS A 32 4.879 -3.221 2.468 1.00 0.00 C ATOM 561 O LYS A 32 5.312 -3.561 3.575 1.00 0.00 O ATOM 562 CB LYS A 32 6.047 -0.969 2.172 1.00 0.00 C ATOM 563 CG LYS A 32 6.600 -0.732 3.562 1.00 0.00 C ATOM 564 CD LYS A 32 7.616 0.390 3.531 1.00 0.00 C ATOM 565 CE LYS A 32 8.295 0.575 4.868 1.00 0.00 C ATOM 566 NZ LYS A 32 9.250 -0.512 5.154 1.00 0.00 N ATOM 0 H LYS A 32 3.568 -1.720 3.727 1.00 0.00 H new ATOM 0 HA LYS A 32 4.543 -1.769 1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.819 -1.459 1.578 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.858 0.001 1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.790 -0.481 4.247 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.064 -1.644 3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.366 0.179 2.769 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.122 1.318 3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.819 1.531 4.880 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.542 0.614 5.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.476 -0.517 6.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.827 -1.424 4.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.121 -0.362 4.606 1.00 0.00 H new ATOM 580 N ALA A 33 4.374 -4.009 1.621 1.00 0.00 N ATOM 581 CA ALA A 33 4.288 -5.412 1.802 1.00 0.00 C ATOM 582 C ALA A 33 5.666 -6.032 1.831 1.00 0.00 C ATOM 583 O ALA A 33 6.537 -5.683 1.025 1.00 0.00 O ATOM 584 CB ALA A 33 3.397 -5.995 0.717 1.00 0.00 C ATOM 0 H ALA A 33 3.986 -3.691 0.733 1.00 0.00 H new ATOM 0 HA ALA A 33 3.835 -5.642 2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.324 -7.075 0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.403 -5.553 0.786 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.824 -5.776 -0.261 1.00 0.00 H new ATOM 590 N CYS A 34 5.889 -6.873 2.784 1.00 0.00 N ATOM 591 CA CYS A 34 7.150 -7.526 2.899 1.00 0.00 C ATOM 592 C CYS A 34 6.977 -8.957 2.794 1.00 0.00 C ATOM 593 O CYS A 34 5.916 -9.494 3.126 1.00 0.00 O ATOM 594 CB CYS A 34 7.849 -7.294 4.255 1.00 0.00 C ATOM 595 SG CYS A 34 9.448 -8.266 4.437 1.00 0.00 S ATOM 0 H CYS A 34 5.208 -7.126 3.500 1.00 0.00 H new ATOM 0 HA CYS A 34 7.759 -7.105 2.099 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.062 -6.231 4.370 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.168 -7.572 5.060 1.00 0.00 H new ATOM 600 N CYS A 35 8.025 -9.569 2.325 1.00 0.00 N ATOM 601 CA CYS A 35 8.253 -10.942 2.443 1.00 0.00 C ATOM 602 C CYS A 35 7.297 -11.758 1.552 1.00 0.00 C ATOM 603 O CYS A 35 6.392 -11.215 0.915 1.00 0.00 O ATOM 604 CB CYS A 35 8.116 -11.299 3.946 1.00 0.00 C ATOM 605 SG CYS A 35 8.993 -10.167 5.216 1.00 0.00 S ATOM 0 H CYS A 35 8.770 -9.080 1.828 1.00 0.00 H new ATOM 0 HA CYS A 35 9.253 -11.198 2.092 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.054 -11.317 4.191 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.492 -12.313 4.085 1.00 0.00 H new ATOM 610 N ASP A 36 7.570 -13.017 1.433 1.00 0.00 N ATOM 611 CA ASP A 36 6.671 -13.934 0.737 1.00 0.00 C ATOM 612 C ASP A 36 5.409 -14.132 1.544 1.00 0.00 C ATOM 613 O ASP A 36 5.395 -14.843 2.564 1.00 0.00 O ATOM 614 CB ASP A 36 7.329 -15.285 0.436 1.00 0.00 C ATOM 615 CG ASP A 36 8.428 -15.185 -0.584 1.00 0.00 C ATOM 616 OD1 ASP A 36 8.129 -15.150 -1.788 1.00 0.00 O ATOM 617 OD2 ASP A 36 9.621 -15.123 -0.196 1.00 0.00 O ATOM 0 H ASP A 36 8.412 -13.455 1.806 1.00 0.00 H new ATOM 0 HA ASP A 36 6.424 -13.480 -0.223 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.733 -15.700 1.359 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.570 -15.981 0.079 1.00 0.00 H new ATOM 622 N VAL A 37 4.379 -13.469 1.129 1.00 0.00 N ATOM 623 CA VAL A 37 3.101 -13.507 1.796 1.00 0.00 C ATOM 624 C VAL A 37 2.195 -14.498 1.123 1.00 0.00 C ATOM 625 O VAL A 37 2.438 -14.869 -0.047 1.00 0.00 O ATOM 626 CB VAL A 37 2.390 -12.139 1.832 1.00 0.00 C ATOM 627 CG1 VAL A 37 3.287 -11.063 2.399 1.00 0.00 C ATOM 628 CG2 VAL A 37 1.848 -11.752 0.474 1.00 0.00 C ATOM 0 H VAL A 37 4.394 -12.872 0.302 1.00 0.00 H new ATOM 0 HA VAL A 37 3.307 -13.801 2.825 1.00 0.00 H new ATOM 0 HB VAL A 37 1.536 -12.238 2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.753 -10.113 2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.575 -11.328 3.416 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.180 -10.971 1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.355 -10.782 0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.668 -11.692 -0.242 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.130 -12.502 0.142 1.00 0.00 H new ATOM 638 N LYS A 38 1.221 -14.986 1.865 1.00 0.00 N ATOM 639 CA LYS A 38 0.206 -15.864 1.315 1.00 0.00 C ATOM 640 C LYS A 38 -0.419 -15.188 0.132 1.00 0.00 C ATOM 641 O LYS A 38 -0.316 -15.684 -0.993 1.00 0.00 O ATOM 642 CB LYS A 38 -0.859 -16.202 2.358 1.00 0.00 C ATOM 643 CG LYS A 38 -0.287 -16.858 3.582 1.00 0.00 C ATOM 644 CD LYS A 38 0.432 -18.155 3.209 1.00 0.00 C ATOM 645 CE LYS A 38 1.125 -18.808 4.395 1.00 0.00 C ATOM 646 NZ LYS A 38 0.190 -19.289 5.435 1.00 0.00 N ATOM 0 H LYS A 38 1.110 -14.787 2.859 1.00 0.00 H new ATOM 0 HA LYS A 38 0.671 -16.801 1.009 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.378 -15.289 2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.602 -16.862 1.911 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.409 -16.178 4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.084 -17.069 4.295 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.288 -18.855 2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.169 -17.946 2.433 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.723 -19.647 4.039 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.815 -18.092 4.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.728 -19.722 6.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.364 -18.488 5.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.453 -19.995 5.024 1.00 0.00 H new ATOM 660 N GLY A 39 -0.993 -14.018 0.370 1.00 0.00 N ATOM 661 CA GLY A 39 -1.552 -13.253 -0.713 1.00 0.00 C ATOM 662 C GLY A 39 -2.627 -14.000 -1.487 1.00 0.00 C ATOM 663 O GLY A 39 -2.585 -14.051 -2.723 1.00 0.00 O ATOM 0 H GLY A 39 -1.079 -13.590 1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.975 -12.330 -0.316 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.753 -12.968 -1.398 1.00 0.00 H new ATOM 667 N GLY A 40 -3.501 -14.660 -0.757 1.00 0.00 N ATOM 668 CA GLY A 40 -4.570 -15.487 -1.326 1.00 0.00 C ATOM 669 C GLY A 40 -5.544 -14.737 -2.238 1.00 0.00 C ATOM 670 O GLY A 40 -5.350 -13.563 -2.537 1.00 0.00 O ATOM 0 H GLY A 40 -3.498 -14.644 0.263 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.118 -16.302 -1.892 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.133 -15.940 -0.510 1.00 0.00 H new ATOM 674 N LYS A 41 -6.612 -15.418 -2.635 1.00 0.00 N ATOM 675 CA LYS A 41 -7.576 -14.899 -3.611 1.00 0.00 C ATOM 676 C LYS A 41 -8.108 -13.507 -3.273 1.00 0.00 C ATOM 677 O LYS A 41 -8.036 -12.608 -4.098 1.00 0.00 O ATOM 678 CB LYS A 41 -8.746 -15.873 -3.830 1.00 0.00 C ATOM 679 CG LYS A 41 -9.765 -15.361 -4.854 1.00 0.00 C ATOM 680 CD LYS A 41 -10.947 -16.299 -5.030 1.00 0.00 C ATOM 681 CE LYS A 41 -11.720 -16.485 -3.737 1.00 0.00 C ATOM 682 NZ LYS A 41 -12.953 -17.255 -3.937 1.00 0.00 N ATOM 0 H LYS A 41 -6.839 -16.351 -2.290 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.013 -14.804 -4.539 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.354 -16.834 -4.164 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.250 -16.047 -2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.128 -14.382 -4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.270 -15.224 -5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.613 -15.904 -5.797 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.592 -17.267 -5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.089 -16.994 -3.008 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.966 -15.509 -3.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.449 -17.358 -3.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.567 -16.757 -4.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.718 -18.196 -4.312 1.00 0.00 H new ATOM 696 N ASN A 42 -8.630 -13.305 -2.078 1.00 0.00 N ATOM 697 CA ASN A 42 -9.170 -11.976 -1.763 1.00 0.00 C ATOM 698 C ASN A 42 -8.078 -11.056 -1.242 1.00 0.00 C ATOM 699 O ASN A 42 -8.299 -9.870 -1.014 1.00 0.00 O ATOM 700 CB ASN A 42 -10.381 -12.008 -0.791 1.00 0.00 C ATOM 701 CG ASN A 42 -10.042 -12.159 0.696 1.00 0.00 C ATOM 702 OD1 ASN A 42 -9.053 -12.779 1.090 1.00 0.00 O ATOM 703 ND2 ASN A 42 -10.876 -11.588 1.522 1.00 0.00 N ATOM 0 H ASN A 42 -8.696 -14.000 -1.334 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.552 -11.577 -2.703 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.952 -11.089 -0.922 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.033 -12.832 -1.081 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.719 -11.647 2.528 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.685 -11.082 1.161 1.00 0.00 H new ATOM 710 N GLU A 43 -6.893 -11.584 -1.122 1.00 0.00 N ATOM 711 CA GLU A 43 -5.789 -10.830 -0.622 1.00 0.00 C ATOM 712 C GLU A 43 -5.062 -10.205 -1.792 1.00 0.00 C ATOM 713 O GLU A 43 -5.351 -10.533 -2.947 1.00 0.00 O ATOM 714 CB GLU A 43 -4.849 -11.709 0.198 1.00 0.00 C ATOM 715 CG GLU A 43 -5.536 -12.459 1.320 1.00 0.00 C ATOM 716 CD GLU A 43 -4.563 -13.128 2.247 1.00 0.00 C ATOM 717 OE1 GLU A 43 -3.924 -14.127 1.858 1.00 0.00 O ATOM 718 OE2 GLU A 43 -4.441 -12.656 3.396 1.00 0.00 O ATOM 0 H GLU A 43 -6.670 -12.548 -1.369 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.155 -10.047 0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.368 -12.428 -0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.060 -11.086 0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.157 -11.766 1.889 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.203 -13.210 0.896 1.00 0.00 H new ATOM 725 N LEU A 44 -4.158 -9.303 -1.523 1.00 0.00 N ATOM 726 CA LEU A 44 -3.462 -8.622 -2.587 1.00 0.00 C ATOM 727 C LEU A 44 -2.363 -9.492 -3.118 1.00 0.00 C ATOM 728 O LEU A 44 -1.626 -10.129 -2.362 1.00 0.00 O ATOM 729 CB LEU A 44 -2.867 -7.296 -2.109 1.00 0.00 C ATOM 730 CG LEU A 44 -2.953 -6.078 -3.063 1.00 0.00 C ATOM 731 CD1 LEU A 44 -2.451 -4.833 -2.368 1.00 0.00 C ATOM 732 CD2 LEU A 44 -2.173 -6.297 -4.339 1.00 0.00 C ATOM 0 H LEU A 44 -3.885 -9.021 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.186 -8.412 -3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.360 -7.025 -1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.816 -7.465 -1.877 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.002 -5.953 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.517 -3.985 -3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.060 -4.638 -1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.413 -4.977 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.263 -5.417 -4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.123 -6.466 -4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.570 -7.166 -4.863 1.00 0.00 H new ATOM 744 N SER A 45 -2.233 -9.465 -4.399 1.00 0.00 N ATOM 745 CA SER A 45 -1.213 -10.190 -5.126 1.00 0.00 C ATOM 746 C SER A 45 0.123 -9.400 -5.079 1.00 0.00 C ATOM 747 O SER A 45 0.873 -9.354 -6.062 1.00 0.00 O ATOM 748 CB SER A 45 -1.682 -10.340 -6.578 1.00 0.00 C ATOM 749 OG SER A 45 -2.994 -10.906 -6.642 1.00 0.00 O ATOM 0 H SER A 45 -2.849 -8.922 -5.004 1.00 0.00 H new ATOM 0 HA SER A 45 -1.051 -11.171 -4.680 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.679 -9.365 -7.066 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.983 -10.973 -7.125 1.00 0.00 H new ATOM 0 HG SER A 45 -3.269 -10.989 -7.579 1.00 0.00 H new ATOM 755 N PHE A 46 0.424 -8.824 -3.921 1.00 0.00 N ATOM 756 CA PHE A 46 1.617 -8.033 -3.749 1.00 0.00 C ATOM 757 C PHE A 46 2.827 -8.892 -3.474 1.00 0.00 C ATOM 758 O PHE A 46 2.751 -10.138 -3.453 1.00 0.00 O ATOM 759 CB PHE A 46 1.454 -6.909 -2.690 1.00 0.00 C ATOM 760 CG PHE A 46 0.963 -7.319 -1.316 1.00 0.00 C ATOM 761 CD1 PHE A 46 1.503 -8.380 -0.634 1.00 0.00 C ATOM 762 CD2 PHE A 46 -0.041 -6.614 -0.713 1.00 0.00 C ATOM 763 CE1 PHE A 46 1.042 -8.716 0.617 1.00 0.00 C ATOM 764 CE2 PHE A 46 -0.501 -6.955 0.537 1.00 0.00 C ATOM 765 CZ PHE A 46 0.044 -8.009 1.197 1.00 0.00 C ATOM 0 H PHE A 46 -0.155 -8.897 -3.084 1.00 0.00 H new ATOM 0 HA PHE A 46 1.784 -7.529 -4.701 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.418 -6.415 -2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.762 -6.167 -3.089 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.298 -8.957 -1.084 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.481 -5.773 -1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.480 -9.552 1.142 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.296 -6.384 0.994 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.316 -8.281 2.178 1.00 0.00 H new ATOM 775 N LYS A 47 3.930 -8.237 -3.265 1.00 0.00 N ATOM 776 CA LYS A 47 5.195 -8.868 -3.103 1.00 0.00 C ATOM 777 C LYS A 47 6.006 -8.125 -2.054 1.00 0.00 C ATOM 778 O LYS A 47 5.528 -7.180 -1.429 1.00 0.00 O ATOM 779 CB LYS A 47 5.950 -8.877 -4.443 1.00 0.00 C ATOM 780 CG LYS A 47 5.282 -9.680 -5.547 1.00 0.00 C ATOM 781 CD LYS A 47 6.049 -9.569 -6.848 1.00 0.00 C ATOM 782 CE LYS A 47 7.440 -10.175 -6.741 1.00 0.00 C ATOM 783 NZ LYS A 47 8.215 -9.979 -7.985 1.00 0.00 N ATOM 0 H LYS A 47 3.970 -7.220 -3.202 1.00 0.00 H new ATOM 0 HA LYS A 47 5.045 -9.897 -2.776 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.070 -7.848 -4.783 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.951 -9.276 -4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.216 -10.726 -5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.262 -9.325 -5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.494 -10.072 -7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.131 -8.520 -7.132 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.972 -9.721 -5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.358 -11.241 -6.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.158 -10.404 -7.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.719 -10.433 -8.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.314 -8.961 -8.176 1.00 0.00 H new ATOM 797 N GLN A 48 7.213 -8.522 -1.932 1.00 0.00 N ATOM 798 CA GLN A 48 8.149 -8.021 -0.979 1.00 0.00 C ATOM 799 C GLN A 48 8.793 -6.774 -1.528 1.00 0.00 C ATOM 800 O GLN A 48 9.458 -6.799 -2.567 1.00 0.00 O ATOM 801 CB GLN A 48 9.207 -9.101 -0.646 1.00 0.00 C ATOM 802 CG GLN A 48 10.337 -8.602 0.242 1.00 0.00 C ATOM 803 CD GLN A 48 11.229 -9.711 0.758 1.00 0.00 C ATOM 804 OE1 GLN A 48 11.770 -9.612 1.844 1.00 0.00 O ATOM 805 NE2 GLN A 48 11.384 -10.766 0.011 1.00 0.00 N ATOM 0 H GLN A 48 7.608 -9.250 -2.527 1.00 0.00 H new ATOM 0 HA GLN A 48 7.633 -7.770 -0.052 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.714 -9.939 -0.154 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.629 -9.481 -1.576 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.942 -7.890 -0.318 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.913 -8.063 1.089 1.00 0.00 H new ATOM 0 HE21 GLN A 48 10.919 -10.822 -0.895 1.00 0.00 H new ATOM 0 HE22 GLN A 48 11.971 -11.536 0.332 1.00 0.00 H new ATOM 814 N GLY A 49 8.532 -5.691 -0.877 1.00 0.00 N ATOM 815 CA GLY A 49 9.065 -4.422 -1.292 1.00 0.00 C ATOM 816 C GLY A 49 8.029 -3.654 -2.060 1.00 0.00 C ATOM 817 O GLY A 49 8.287 -2.555 -2.566 1.00 0.00 O ATOM 0 H GLY A 49 7.946 -5.652 -0.043 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.382 -3.849 -0.420 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.949 -4.575 -1.911 1.00 0.00 H new ATOM 821 N GLU A 50 6.854 -4.236 -2.150 1.00 0.00 N ATOM 822 CA GLU A 50 5.752 -3.630 -2.828 1.00 0.00 C ATOM 823 C GLU A 50 5.146 -2.524 -2.021 1.00 0.00 C ATOM 824 O GLU A 50 4.671 -2.723 -0.895 1.00 0.00 O ATOM 825 CB GLU A 50 4.717 -4.661 -3.233 1.00 0.00 C ATOM 826 CG GLU A 50 5.076 -5.386 -4.507 1.00 0.00 C ATOM 827 CD GLU A 50 5.124 -4.457 -5.693 1.00 0.00 C ATOM 828 OE1 GLU A 50 4.083 -4.187 -6.280 1.00 0.00 O ATOM 829 OE2 GLU A 50 6.217 -3.985 -6.078 1.00 0.00 O ATOM 0 H GLU A 50 6.644 -5.150 -1.749 1.00 0.00 H new ATOM 0 HA GLU A 50 6.140 -3.182 -3.743 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.601 -5.387 -2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.753 -4.169 -3.360 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.045 -5.871 -4.387 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.346 -6.174 -4.693 1.00 0.00 H new ATOM 836 N GLN A 51 5.131 -1.388 -2.620 1.00 0.00 N ATOM 837 CA GLN A 51 4.656 -0.207 -2.030 1.00 0.00 C ATOM 838 C GLN A 51 3.246 -0.052 -2.456 1.00 0.00 C ATOM 839 O GLN A 51 2.920 0.351 -3.575 1.00 0.00 O ATOM 840 CB GLN A 51 5.486 1.001 -2.449 1.00 0.00 C ATOM 841 CG GLN A 51 4.996 2.313 -1.862 1.00 0.00 C ATOM 842 CD GLN A 51 5.833 3.484 -2.294 1.00 0.00 C ATOM 843 OE1 GLN A 51 5.562 4.119 -3.322 1.00 0.00 O ATOM 844 NE2 GLN A 51 6.849 3.782 -1.542 1.00 0.00 N ATOM 0 H GLN A 51 5.465 -1.260 -3.575 1.00 0.00 H new ATOM 0 HA GLN A 51 4.732 -0.268 -0.944 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.521 0.842 -2.146 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.480 1.075 -3.536 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.962 2.479 -2.164 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.004 2.246 -0.774 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.040 3.235 -0.702 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.456 4.563 -1.791 1.00 0.00 H new ATOM 853 N ILE A 52 2.463 -0.472 -1.605 1.00 0.00 N ATOM 854 CA ILE A 52 1.040 -0.439 -1.722 1.00 0.00 C ATOM 855 C ILE A 52 0.422 0.658 -0.853 1.00 0.00 C ATOM 856 O ILE A 52 1.025 1.134 0.078 1.00 0.00 O ATOM 857 CB ILE A 52 0.477 -1.788 -1.293 1.00 0.00 C ATOM 858 CG1 ILE A 52 0.894 -2.098 0.110 1.00 0.00 C ATOM 859 CG2 ILE A 52 0.976 -2.872 -2.208 1.00 0.00 C ATOM 860 CD1 ILE A 52 0.379 -3.383 0.576 1.00 0.00 C ATOM 0 H ILE A 52 2.780 -0.886 -0.729 1.00 0.00 H new ATOM 0 HA ILE A 52 0.791 -0.225 -2.762 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.611 -1.741 -1.346 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.982 -2.103 0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.543 -1.307 0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.567 -3.832 -1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.658 -2.661 -3.229 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.065 -2.910 -2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.711 -3.559 1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.710 -3.371 0.545 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.752 -4.179 -0.068 1.00 0.00 H new ATOM 872 N GLU A 53 -0.751 1.078 -1.168 1.00 0.00 N ATOM 873 CA GLU A 53 -1.403 2.050 -0.321 1.00 0.00 C ATOM 874 C GLU A 53 -2.703 1.478 0.170 1.00 0.00 C ATOM 875 O GLU A 53 -3.455 0.904 -0.613 1.00 0.00 O ATOM 876 CB GLU A 53 -1.655 3.382 -1.046 1.00 0.00 C ATOM 877 CG GLU A 53 -0.420 4.038 -1.642 1.00 0.00 C ATOM 878 CD GLU A 53 -0.731 5.333 -2.375 1.00 0.00 C ATOM 879 OE1 GLU A 53 -1.541 5.316 -3.342 1.00 0.00 O ATOM 880 OE2 GLU A 53 -0.161 6.393 -2.022 1.00 0.00 O ATOM 0 H GLU A 53 -1.282 0.780 -1.986 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.740 2.264 0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.377 3.212 -1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.114 4.078 -0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.297 4.240 -0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.057 3.342 -2.332 1.00 0.00 H new ATOM 887 N ILE A 54 -2.954 1.573 1.458 1.00 0.00 N ATOM 888 CA ILE A 54 -4.234 1.094 1.961 1.00 0.00 C ATOM 889 C ILE A 54 -5.254 2.214 2.008 1.00 0.00 C ATOM 890 O ILE A 54 -4.969 3.336 2.467 1.00 0.00 O ATOM 891 CB ILE A 54 -4.207 0.291 3.317 1.00 0.00 C ATOM 892 CG1 ILE A 54 -4.004 1.172 4.556 1.00 0.00 C ATOM 893 CG2 ILE A 54 -3.129 -0.770 3.266 1.00 0.00 C ATOM 894 CD1 ILE A 54 -2.657 1.795 4.653 1.00 0.00 C ATOM 0 H ILE A 54 -2.320 1.961 2.157 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.533 0.345 1.228 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.192 -0.165 3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.756 1.961 4.553 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.177 0.569 5.448 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.116 -1.321 4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.334 -1.458 2.445 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.160 -0.297 3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.600 2.400 5.558 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.897 1.015 4.690 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.485 2.427 3.782 1.00 0.00 H new ATOM 906 N ILE A 55 -6.412 1.913 1.517 1.00 0.00 N ATOM 907 CA ILE A 55 -7.494 2.864 1.398 1.00 0.00 C ATOM 908 C ILE A 55 -8.714 2.400 2.179 1.00 0.00 C ATOM 909 O ILE A 55 -9.816 2.952 2.050 1.00 0.00 O ATOM 910 CB ILE A 55 -7.885 3.170 -0.100 1.00 0.00 C ATOM 911 CG1 ILE A 55 -8.095 1.895 -0.947 1.00 0.00 C ATOM 912 CG2 ILE A 55 -6.853 4.069 -0.764 1.00 0.00 C ATOM 913 CD1 ILE A 55 -6.807 1.196 -1.371 1.00 0.00 C ATOM 0 H ILE A 55 -6.648 0.981 1.177 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.128 3.797 1.827 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.843 3.689 -0.057 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.704 1.193 -0.378 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.662 2.157 -1.840 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.149 4.263 -1.795 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.789 5.012 -0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.880 3.577 -0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.050 0.312 -1.961 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.203 1.878 -1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.246 0.898 -0.485 1.00 0.00 H new ATOM 925 N ARG A 56 -8.513 1.387 2.992 1.00 0.00 N ATOM 926 CA ARG A 56 -9.547 0.869 3.852 1.00 0.00 C ATOM 927 C ARG A 56 -8.931 0.240 5.080 1.00 0.00 C ATOM 928 O ARG A 56 -8.067 -0.637 4.973 1.00 0.00 O ATOM 929 CB ARG A 56 -10.442 -0.143 3.118 1.00 0.00 C ATOM 930 CG ARG A 56 -11.494 -0.804 4.008 1.00 0.00 C ATOM 931 CD ARG A 56 -12.395 -1.741 3.224 1.00 0.00 C ATOM 932 NE ARG A 56 -13.230 -1.023 2.251 1.00 0.00 N ATOM 933 CZ ARG A 56 -13.955 -1.604 1.281 1.00 0.00 C ATOM 934 NH1 ARG A 56 -13.871 -2.936 1.059 1.00 0.00 N ATOM 935 NH2 ARG A 56 -14.751 -0.860 0.519 1.00 0.00 N ATOM 0 H ARG A 56 -7.621 0.898 3.074 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.180 1.702 4.157 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.945 0.363 2.294 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.813 -0.918 2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.998 -1.360 4.804 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.100 -0.034 4.486 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.784 -2.478 2.702 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.035 -2.289 3.915 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.261 -0.006 2.317 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.252 -3.510 1.631 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.427 -3.366 0.319 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.809 0.147 0.672 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.304 -1.296 -0.219 1.00 0.00 H new ATOM 949 N ILE A 57 -9.376 0.692 6.220 1.00 0.00 N ATOM 950 CA ILE A 57 -8.963 0.183 7.498 1.00 0.00 C ATOM 951 C ILE A 57 -10.192 -0.490 8.005 1.00 0.00 C ATOM 952 O ILE A 57 -11.130 0.167 8.483 1.00 0.00 O ATOM 953 CB ILE A 57 -8.555 1.329 8.476 1.00 0.00 C ATOM 954 CG1 ILE A 57 -7.460 2.224 7.865 1.00 0.00 C ATOM 955 CG2 ILE A 57 -8.108 0.776 9.820 1.00 0.00 C ATOM 956 CD1 ILE A 57 -6.176 1.500 7.512 1.00 0.00 C ATOM 0 H ILE A 57 -10.057 1.448 6.287 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.093 -0.468 7.419 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.439 1.944 8.642 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.855 2.695 6.965 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.229 3.024 8.568 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.831 1.599 10.478 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.924 0.211 10.270 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.249 0.121 9.676 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.464 2.208 7.089 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.752 1.052 8.411 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.388 0.718 6.782 1.00 0.00 H new ATOM 968 N THR A 58 -10.238 -1.752 7.832 1.00 0.00 N ATOM 969 CA THR A 58 -11.436 -2.457 8.027 1.00 0.00 C ATOM 970 C THR A 58 -11.674 -2.838 9.483 1.00 0.00 C ATOM 971 O THR A 58 -10.760 -3.262 10.199 1.00 0.00 O ATOM 972 CB THR A 58 -11.373 -3.697 7.153 1.00 0.00 C ATOM 973 OG1 THR A 58 -10.308 -3.514 6.182 1.00 0.00 O ATOM 974 CG2 THR A 58 -12.655 -3.835 6.406 1.00 0.00 C ATOM 0 H THR A 58 -9.443 -2.326 7.550 1.00 0.00 H new ATOM 0 HA THR A 58 -12.274 -1.816 7.753 1.00 0.00 H new ATOM 0 HB THR A 58 -11.198 -4.579 7.769 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.021 -4.387 5.843 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.615 -4.724 5.777 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.480 -3.927 7.113 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.809 -2.955 5.782 1.00 0.00 H new ATOM 1037 N GLY A 63 -10.702 -9.044 8.562 1.00 0.00 N ATOM 1038 CA GLY A 63 -9.451 -9.210 9.230 1.00 0.00 C ATOM 1039 C GLY A 63 -8.314 -8.813 8.380 1.00 0.00 C ATOM 1040 O GLY A 63 -7.170 -9.149 8.657 1.00 0.00 O ATOM 0 HA2 GLY A 63 -9.446 -8.615 10.143 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.335 -10.252 9.528 1.00 0.00 H new ATOM 1044 N LYS A 64 -8.622 -8.137 7.317 1.00 0.00 N ATOM 1045 CA LYS A 64 -7.635 -7.691 6.389 1.00 0.00 C ATOM 1046 C LYS A 64 -7.927 -6.262 6.053 1.00 0.00 C ATOM 1047 O LYS A 64 -9.074 -5.835 6.144 1.00 0.00 O ATOM 1048 CB LYS A 64 -7.706 -8.505 5.104 1.00 0.00 C ATOM 1049 CG LYS A 64 -7.669 -10.007 5.270 1.00 0.00 C ATOM 1050 CD LYS A 64 -6.364 -10.500 5.858 1.00 0.00 C ATOM 1051 CE LYS A 64 -6.418 -11.993 6.170 1.00 0.00 C ATOM 1052 NZ LYS A 64 -6.598 -12.838 4.973 1.00 0.00 N ATOM 0 H LYS A 64 -9.577 -7.878 7.068 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.645 -7.805 6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.624 -8.240 4.579 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.875 -8.209 4.463 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.492 -10.317 5.913 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.827 -10.479 4.300 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.551 -10.303 5.159 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.142 -9.945 6.769 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.497 -12.284 6.676 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.236 -12.182 6.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.391 -13.829 5.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.579 -12.761 4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.950 -12.521 4.224 1.00 0.00 H new ATOM 1066 N TRP A 65 -6.930 -5.540 5.667 1.00 0.00 N ATOM 1067 CA TRP A 65 -7.103 -4.181 5.208 1.00 0.00 C ATOM 1068 C TRP A 65 -7.130 -4.170 3.715 1.00 0.00 C ATOM 1069 O TRP A 65 -6.630 -5.083 3.094 1.00 0.00 O ATOM 1070 CB TRP A 65 -5.999 -3.279 5.713 1.00 0.00 C ATOM 1071 CG TRP A 65 -6.154 -2.892 7.137 1.00 0.00 C ATOM 1072 CD1 TRP A 65 -7.222 -3.149 7.950 1.00 0.00 C ATOM 1073 CD2 TRP A 65 -5.231 -2.145 7.907 1.00 0.00 C ATOM 1074 NE1 TRP A 65 -7.014 -2.600 9.177 1.00 0.00 N ATOM 1075 CE2 TRP A 65 -5.790 -1.976 9.182 1.00 0.00 C ATOM 1076 CE3 TRP A 65 -3.975 -1.603 7.640 1.00 0.00 C ATOM 1077 CZ2 TRP A 65 -5.138 -1.282 10.188 1.00 0.00 C ATOM 1078 CZ3 TRP A 65 -3.328 -0.916 8.633 1.00 0.00 C ATOM 1079 CH2 TRP A 65 -3.908 -0.758 9.898 1.00 0.00 C ATOM 0 H TRP A 65 -5.964 -5.866 5.656 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.045 -3.800 5.602 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -5.041 -3.783 5.584 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -5.969 -2.377 5.101 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.101 -3.706 7.661 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.661 -2.644 9.964 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.520 -1.722 6.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -5.584 -1.159 11.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.355 -0.489 8.437 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -3.373 -0.211 10.660 1.00 0.00 H new ATOM 1090 N LEU A 66 -7.708 -3.173 3.134 1.00 0.00 N ATOM 1091 CA LEU A 66 -7.776 -3.132 1.703 1.00 0.00 C ATOM 1092 C LEU A 66 -6.716 -2.195 1.164 1.00 0.00 C ATOM 1093 O LEU A 66 -6.757 -0.964 1.379 1.00 0.00 O ATOM 1094 CB LEU A 66 -9.221 -2.821 1.210 1.00 0.00 C ATOM 1095 CG LEU A 66 -9.507 -2.807 -0.320 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -9.139 -1.486 -0.944 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -8.755 -3.923 -1.028 1.00 0.00 C ATOM 0 H LEU A 66 -8.137 -2.383 3.616 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.552 -4.118 1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.889 -3.554 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.502 -1.845 1.607 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.579 -2.963 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.353 -1.516 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.720 -0.690 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.077 -1.295 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.974 -3.889 -2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.684 -3.795 -0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.068 -4.886 -0.624 1.00 0.00 H new ATOM 1109 N GLY A 67 -5.760 -2.789 0.510 1.00 0.00 N ATOM 1110 CA GLY A 67 -4.672 -2.083 -0.064 1.00 0.00 C ATOM 1111 C GLY A 67 -4.717 -2.175 -1.563 1.00 0.00 C ATOM 1112 O GLY A 67 -5.601 -2.816 -2.131 1.00 0.00 O ATOM 0 H GLY A 67 -5.722 -3.798 0.363 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.706 -1.038 0.243 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.731 -2.492 0.303 1.00 0.00 H new ATOM 1116 N ARG A 68 -3.777 -1.563 -2.191 1.00 0.00 N ATOM 1117 CA ARG A 68 -3.640 -1.554 -3.623 1.00 0.00 C ATOM 1118 C ARG A 68 -2.180 -1.379 -3.942 1.00 0.00 C ATOM 1119 O ARG A 68 -1.493 -0.682 -3.223 1.00 0.00 O ATOM 1120 CB ARG A 68 -4.426 -0.395 -4.236 1.00 0.00 C ATOM 1121 CG ARG A 68 -3.910 0.979 -3.847 1.00 0.00 C ATOM 1122 CD ARG A 68 -4.719 2.064 -4.469 1.00 0.00 C ATOM 1123 NE ARG A 68 -4.136 3.363 -4.235 1.00 0.00 N ATOM 1124 CZ ARG A 68 -4.713 4.517 -4.523 1.00 0.00 C ATOM 1125 NH1 ARG A 68 -5.957 4.546 -5.018 1.00 0.00 N ATOM 1126 NH2 ARG A 68 -4.045 5.629 -4.315 1.00 0.00 N ATOM 0 H ARG A 68 -3.049 -1.032 -1.713 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.028 -2.486 -4.034 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.400 -0.487 -5.322 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.470 -0.478 -3.934 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.933 1.083 -2.762 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.869 1.078 -4.155 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.800 1.889 -5.542 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.731 2.041 -4.065 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.207 3.393 -3.815 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.464 3.675 -5.175 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.397 5.439 -5.238 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.098 5.592 -3.938 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.473 6.529 -4.531 1.00 0.00 H new ATOM 1140 N THR A 69 -1.709 -1.998 -4.971 1.00 0.00 N ATOM 1141 CA THR A 69 -0.343 -1.822 -5.376 1.00 0.00 C ATOM 1142 C THR A 69 -0.203 -0.552 -6.193 1.00 0.00 C ATOM 1143 O THR A 69 -1.211 0.023 -6.658 1.00 0.00 O ATOM 1144 CB THR A 69 0.121 -3.012 -6.240 1.00 0.00 C ATOM 1145 OG1 THR A 69 -0.889 -3.321 -7.221 1.00 0.00 O ATOM 1146 CG2 THR A 69 0.427 -4.239 -5.407 1.00 0.00 C ATOM 0 H THR A 69 -2.249 -2.636 -5.555 1.00 0.00 H new ATOM 0 HA THR A 69 0.271 -1.759 -4.478 1.00 0.00 H new ATOM 0 HB THR A 69 1.046 -2.719 -6.737 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.668 -4.168 -7.662 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.750 -5.050 -6.059 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.220 -4.008 -4.696 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.468 -4.543 -4.865 1.00 0.00 H new ATOM 1154 N ALA A 70 1.032 -0.157 -6.443 1.00 0.00 N ATOM 1155 CA ALA A 70 1.328 0.965 -7.311 1.00 0.00 C ATOM 1156 C ALA A 70 1.171 0.495 -8.754 1.00 0.00 C ATOM 1157 O ALA A 70 1.319 1.246 -9.713 1.00 0.00 O ATOM 1158 CB ALA A 70 2.742 1.477 -7.061 1.00 0.00 C ATOM 0 H ALA A 70 1.858 -0.607 -6.049 1.00 0.00 H new ATOM 0 HA ALA A 70 0.643 1.789 -7.109 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.946 2.319 -7.722 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.834 1.799 -6.024 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.458 0.679 -7.258 1.00 0.00 H new ATOM 1164 N ARG A 71 0.870 -0.788 -8.876 1.00 0.00 N ATOM 1165 CA ARG A 71 0.594 -1.431 -10.127 1.00 0.00 C ATOM 1166 C ARG A 71 -0.911 -1.316 -10.410 1.00 0.00 C ATOM 1167 O ARG A 71 -1.391 -1.745 -11.445 1.00 0.00 O ATOM 1168 CB ARG A 71 1.016 -2.907 -10.066 1.00 0.00 C ATOM 1169 CG ARG A 71 2.436 -3.118 -9.560 1.00 0.00 C ATOM 1170 CD ARG A 71 2.846 -4.583 -9.600 1.00 0.00 C ATOM 1171 NE ARG A 71 4.087 -4.810 -8.849 1.00 0.00 N ATOM 1172 CZ ARG A 71 5.146 -5.531 -9.249 1.00 0.00 C ATOM 1173 NH1 ARG A 71 5.190 -6.049 -10.466 1.00 0.00 N ATOM 1174 NH2 ARG A 71 6.180 -5.691 -8.422 1.00 0.00 N ATOM 0 H ARG A 71 0.812 -1.419 -8.077 1.00 0.00 H new ATOM 0 HA ARG A 71 1.157 -0.951 -10.927 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.325 -3.447 -9.418 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.926 -3.343 -11.061 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.127 -2.532 -10.166 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.515 -2.748 -8.538 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.048 -5.198 -9.183 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.982 -4.897 -10.635 1.00 0.00 H new ATOM 0 HE ARG A 71 4.151 -4.375 -7.929 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.414 -5.902 -11.111 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.000 -6.595 -10.759 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.162 -5.267 -7.494 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.989 -6.237 -8.717 1.00 0.00 H new ATOM 1188 N GLY A 72 -1.648 -0.766 -9.442 1.00 0.00 N ATOM 1189 CA GLY A 72 -3.065 -0.511 -9.619 1.00 0.00 C ATOM 1190 C GLY A 72 -3.927 -1.737 -9.418 1.00 0.00 C ATOM 1191 O GLY A 72 -4.956 -1.892 -10.078 1.00 0.00 O ATOM 0 H GLY A 72 -1.280 -0.492 -8.531 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.378 0.262 -8.917 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.233 -0.118 -10.622 1.00 0.00 H new ATOM 1195 N SER A 73 -3.517 -2.606 -8.536 1.00 0.00 N ATOM 1196 CA SER A 73 -4.262 -3.790 -8.241 1.00 0.00 C ATOM 1197 C SER A 73 -4.550 -3.825 -6.745 1.00 0.00 C ATOM 1198 O SER A 73 -3.635 -3.746 -5.931 1.00 0.00 O ATOM 1199 CB SER A 73 -3.468 -5.013 -8.691 1.00 0.00 C ATOM 1200 OG SER A 73 -3.180 -4.946 -10.098 1.00 0.00 O ATOM 0 H SER A 73 -2.653 -2.509 -8.002 1.00 0.00 H new ATOM 0 HA SER A 73 -5.212 -3.794 -8.776 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.537 -5.075 -8.127 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.033 -5.919 -8.474 1.00 0.00 H new ATOM 0 HG SER A 73 -2.669 -5.738 -10.365 1.00 0.00 H new ATOM 1206 N TYR A 74 -5.805 -3.873 -6.405 1.00 0.00 N ATOM 1207 CA TYR A 74 -6.253 -3.848 -5.014 1.00 0.00 C ATOM 1208 C TYR A 74 -6.334 -5.252 -4.430 1.00 0.00 C ATOM 1209 O TYR A 74 -6.504 -6.241 -5.172 1.00 0.00 O ATOM 1210 CB TYR A 74 -7.624 -3.153 -4.906 1.00 0.00 C ATOM 1211 CG TYR A 74 -7.625 -1.660 -5.204 1.00 0.00 C ATOM 1212 CD1 TYR A 74 -7.227 -1.150 -6.443 1.00 0.00 C ATOM 1213 CD2 TYR A 74 -8.033 -0.764 -4.241 1.00 0.00 C ATOM 1214 CE1 TYR A 74 -7.230 0.209 -6.691 1.00 0.00 C ATOM 1215 CE2 TYR A 74 -8.045 0.591 -4.484 1.00 0.00 C ATOM 1216 CZ TYR A 74 -7.643 1.074 -5.700 1.00 0.00 C ATOM 1217 OH TYR A 74 -7.618 2.432 -5.911 1.00 0.00 O ATOM 0 H TYR A 74 -6.566 -3.931 -7.081 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.518 -3.285 -4.439 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.316 -3.643 -5.591 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.011 -3.305 -3.899 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.912 -1.830 -7.220 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.350 -1.132 -3.276 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.912 0.590 -7.650 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.372 1.274 -3.714 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.536 2.769 -5.980 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.194 -5.348 -3.123 1.00 0.00 N ATOM 1228 CA GLY A 75 -6.289 -6.630 -2.451 1.00 0.00 C ATOM 1229 C GLY A 75 -6.266 -6.501 -0.949 1.00 0.00 C ATOM 1230 O GLY A 75 -5.775 -5.498 -0.418 1.00 0.00 O ATOM 0 H GLY A 75 -6.014 -4.556 -2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.210 -7.128 -2.755 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.463 -7.265 -2.770 1.00 0.00 H new ATOM 1234 N TYR A 76 -6.815 -7.492 -0.263 1.00 0.00 N ATOM 1235 CA TYR A 76 -6.800 -7.515 1.181 1.00 0.00 C ATOM 1236 C TYR A 76 -5.433 -7.877 1.741 1.00 0.00 C ATOM 1237 O TYR A 76 -4.717 -8.729 1.214 1.00 0.00 O ATOM 1238 CB TYR A 76 -7.920 -8.378 1.762 1.00 0.00 C ATOM 1239 CG TYR A 76 -9.270 -7.684 1.743 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -9.489 -6.564 2.532 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -10.315 -8.141 0.959 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -10.702 -5.915 2.541 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -11.540 -7.493 0.962 1.00 0.00 C ATOM 1244 CZ TYR A 76 -11.723 -6.378 1.756 1.00 0.00 C ATOM 1245 OH TYR A 76 -12.941 -5.734 1.767 1.00 0.00 O ATOM 0 H TYR A 76 -7.278 -8.293 -0.692 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.002 -6.495 1.507 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.987 -9.307 1.196 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.670 -8.647 2.788 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.688 -6.193 3.154 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.174 -9.013 0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.848 -5.045 3.164 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.348 -7.858 0.346 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.556 -6.188 1.154 1.00 0.00 H new ATOM 1255 N ILE A 77 -5.072 -7.205 2.772 1.00 0.00 N ATOM 1256 CA ILE A 77 -3.779 -7.311 3.360 1.00 0.00 C ATOM 1257 C ILE A 77 -3.884 -7.740 4.796 1.00 0.00 C ATOM 1258 O ILE A 77 -4.678 -7.178 5.553 1.00 0.00 O ATOM 1259 CB ILE A 77 -3.113 -5.921 3.381 1.00 0.00 C ATOM 1260 CG1 ILE A 77 -3.067 -5.310 2.004 1.00 0.00 C ATOM 1261 CG2 ILE A 77 -1.717 -6.035 3.921 1.00 0.00 C ATOM 1262 CD1 ILE A 77 -2.679 -3.873 2.006 1.00 0.00 C ATOM 0 H ILE A 77 -5.685 -6.543 3.249 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.208 -8.034 2.777 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.711 -5.274 4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.360 -5.868 1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.046 -5.413 1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.250 -5.050 3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.750 -6.434 4.935 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.135 -6.704 3.287 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.666 -3.498 0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.399 -3.302 2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.687 -3.765 2.445 1.00 0.00 H new ATOM 1274 N LYS A 78 -3.114 -8.725 5.176 1.00 0.00 N ATOM 1275 CA LYS A 78 -2.959 -9.003 6.572 1.00 0.00 C ATOM 1276 C LYS A 78 -2.086 -7.896 7.098 1.00 0.00 C ATOM 1277 O LYS A 78 -1.085 -7.575 6.479 1.00 0.00 O ATOM 1278 CB LYS A 78 -2.264 -10.329 6.817 1.00 0.00 C ATOM 1279 CG LYS A 78 -2.952 -11.514 6.202 1.00 0.00 C ATOM 1280 CD LYS A 78 -2.272 -12.804 6.575 1.00 0.00 C ATOM 1281 CE LYS A 78 -2.959 -13.980 5.918 1.00 0.00 C ATOM 1282 NZ LYS A 78 -2.380 -15.255 6.344 1.00 0.00 N ATOM 0 H LYS A 78 -2.594 -9.337 4.548 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.933 -9.061 7.058 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.248 -10.271 6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.183 -10.489 7.892 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.991 -11.542 6.529 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.962 -11.407 5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.226 -12.771 6.270 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.285 -12.928 7.658 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.021 -13.963 6.162 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.880 -13.889 4.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.877 -16.037 5.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.372 -15.281 6.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.478 -15.354 7.375 1.00 0.00 H new ATOM 1296 N THR A 79 -2.411 -7.340 8.217 1.00 0.00 N ATOM 1297 CA THR A 79 -1.700 -6.170 8.730 1.00 0.00 C ATOM 1298 C THR A 79 -0.225 -6.463 9.089 1.00 0.00 C ATOM 1299 O THR A 79 0.573 -5.554 9.323 1.00 0.00 O ATOM 1300 CB THR A 79 -2.456 -5.610 9.922 1.00 0.00 C ATOM 1301 OG1 THR A 79 -2.631 -6.646 10.904 1.00 0.00 O ATOM 1302 CG2 THR A 79 -3.806 -5.170 9.456 1.00 0.00 C ATOM 0 H THR A 79 -3.170 -7.666 8.815 1.00 0.00 H new ATOM 0 HA THR A 79 -1.664 -5.427 7.933 1.00 0.00 H new ATOM 0 HB THR A 79 -1.903 -4.777 10.356 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.117 -6.287 11.675 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.367 -4.764 10.298 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.694 -4.403 8.690 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.343 -6.022 9.040 1.00 0.00 H new ATOM 1310 N THR A 80 0.113 -7.727 9.080 1.00 0.00 N ATOM 1311 CA THR A 80 1.432 -8.199 9.369 1.00 0.00 C ATOM 1312 C THR A 80 2.188 -8.462 8.060 1.00 0.00 C ATOM 1313 O THR A 80 3.404 -8.594 8.049 1.00 0.00 O ATOM 1314 CB THR A 80 1.330 -9.494 10.204 1.00 0.00 C ATOM 1315 OG1 THR A 80 2.625 -10.054 10.494 1.00 0.00 O ATOM 1316 CG2 THR A 80 0.448 -10.513 9.493 1.00 0.00 C ATOM 0 H THR A 80 -0.546 -8.475 8.864 1.00 0.00 H new ATOM 0 HA THR A 80 1.980 -7.447 9.938 1.00 0.00 H new ATOM 0 HB THR A 80 0.872 -9.235 11.159 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.517 -10.871 11.025 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.385 -11.421 10.093 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.551 -10.098 9.357 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.878 -10.750 8.520 1.00 0.00 H new ATOM 1324 N ALA A 81 1.452 -8.502 6.958 1.00 0.00 N ATOM 1325 CA ALA A 81 2.044 -8.744 5.650 1.00 0.00 C ATOM 1326 C ALA A 81 2.641 -7.453 5.120 1.00 0.00 C ATOM 1327 O ALA A 81 3.424 -7.451 4.166 1.00 0.00 O ATOM 1328 CB ALA A 81 1.016 -9.330 4.660 1.00 0.00 C ATOM 0 H ALA A 81 0.441 -8.370 6.944 1.00 0.00 H new ATOM 0 HA ALA A 81 2.835 -9.486 5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.495 -9.497 3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.638 -10.276 5.046 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.189 -8.631 4.538 1.00 0.00 H new ATOM 1334 N VAL A 82 2.283 -6.351 5.764 1.00 0.00 N ATOM 1335 CA VAL A 82 2.788 -5.052 5.378 1.00 0.00 C ATOM 1336 C VAL A 82 3.335 -4.298 6.540 1.00 0.00 C ATOM 1337 O VAL A 82 2.982 -4.541 7.700 1.00 0.00 O ATOM 1338 CB VAL A 82 1.752 -4.154 4.649 1.00 0.00 C ATOM 1339 CG1 VAL A 82 1.344 -4.780 3.373 1.00 0.00 C ATOM 1340 CG2 VAL A 82 0.527 -3.880 5.498 1.00 0.00 C ATOM 0 H VAL A 82 1.643 -6.337 6.558 1.00 0.00 H new ATOM 0 HA VAL A 82 3.584 -5.281 4.669 1.00 0.00 H new ATOM 0 HB VAL A 82 2.238 -3.198 4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.617 -4.142 2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.218 -4.907 2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.895 -5.753 3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.166 -3.248 4.943 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.039 -4.822 5.747 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.826 -3.372 6.415 1.00 0.00 H new ATOM 1350 N GLU A 83 4.200 -3.401 6.230 1.00 0.00 N ATOM 1351 CA GLU A 83 4.760 -2.524 7.178 1.00 0.00 C ATOM 1352 C GLU A 83 4.018 -1.204 7.073 1.00 0.00 C ATOM 1353 O GLU A 83 4.209 -0.451 6.126 1.00 0.00 O ATOM 1354 CB GLU A 83 6.233 -2.342 6.869 1.00 0.00 C ATOM 1355 CG GLU A 83 7.003 -3.649 6.772 1.00 0.00 C ATOM 1356 CD GLU A 83 8.426 -3.426 6.397 1.00 0.00 C ATOM 1357 OE1 GLU A 83 8.700 -3.116 5.223 1.00 0.00 O ATOM 1358 OE2 GLU A 83 9.305 -3.523 7.266 1.00 0.00 O ATOM 0 H GLU A 83 4.544 -3.257 5.281 1.00 0.00 H new ATOM 0 HA GLU A 83 4.669 -2.916 8.191 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.334 -1.801 5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.684 -1.722 7.644 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.957 -4.170 7.728 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.530 -4.296 6.033 1.00 0.00 H new ATOM 1365 N ILE A 84 3.106 -0.994 7.979 1.00 0.00 N ATOM 1366 CA ILE A 84 2.312 0.223 8.024 1.00 0.00 C ATOM 1367 C ILE A 84 3.027 1.281 8.867 1.00 0.00 C ATOM 1368 O ILE A 84 3.172 1.131 10.087 1.00 0.00 O ATOM 1369 CB ILE A 84 0.902 -0.067 8.616 1.00 0.00 C ATOM 1370 CG1 ILE A 84 0.075 -0.945 7.676 1.00 0.00 C ATOM 1371 CG2 ILE A 84 0.136 1.216 8.981 1.00 0.00 C ATOM 1372 CD1 ILE A 84 -0.371 -0.246 6.427 1.00 0.00 C ATOM 0 H ILE A 84 2.883 -1.661 8.717 1.00 0.00 H new ATOM 0 HA ILE A 84 2.191 0.598 7.008 1.00 0.00 H new ATOM 0 HB ILE A 84 1.065 -0.614 9.545 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.664 -1.820 7.400 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.803 -1.307 8.211 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.840 0.953 9.389 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.701 1.778 9.725 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.004 1.827 8.088 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.952 -0.934 5.812 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.988 0.613 6.691 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.501 0.092 5.868 1.00 0.00 H new ATOM 1384 N ASP A 85 3.541 2.286 8.216 1.00 0.00 N ATOM 1385 CA ASP A 85 4.196 3.400 8.889 1.00 0.00 C ATOM 1386 C ASP A 85 3.588 4.740 8.508 1.00 0.00 C ATOM 1387 O ASP A 85 2.855 4.855 7.511 1.00 0.00 O ATOM 1388 CB ASP A 85 5.738 3.418 8.748 1.00 0.00 C ATOM 1389 CG ASP A 85 6.263 3.519 7.335 1.00 0.00 C ATOM 1390 OD1 ASP A 85 5.860 4.431 6.595 1.00 0.00 O ATOM 1391 OD2 ASP A 85 7.117 2.682 6.960 1.00 0.00 O ATOM 0 H ASP A 85 3.524 2.367 7.199 1.00 0.00 H new ATOM 0 HA ASP A 85 4.003 3.230 9.948 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.128 4.259 9.322 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.137 2.510 9.201 1.00 0.00 H new