USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=16 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+ -174:sc= 0 (180deg=-0.0379) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.018 F(o=-0.65,f=-0.018) USER MOD Single : A 29 HIS : no HE2:sc= 0.67 K(o=0.67,f=-3.3!) USER MOD Single : A 32 LYS NZ :NH3+ 167:sc= -0.0512 (180deg=-0.356) USER MOD Single : A 38 LYS NZ :NH3+ -166:sc= -0.0477 (180deg=-0.348) USER MOD Single : A 41 LYS NZ :NH3+ 166:sc=-0.00942 (180deg=-0.211) USER MOD Single : A 42 ASN : amide:sc= -0.46! X(o=-0.46!,f=0) USER MOD Single : A 45 SER OG : rot -44:sc= 1.25 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot -170:sc= 0.803 USER MOD Single : A 64 LYS NZ :NH3+ 159:sc= 1.25 (180deg=0.856) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.581 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 100:sc= 0.761 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0.744 (180deg=0.744) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N GLU A 14 -13.297 -4.675 -11.298 1.00 0.00 N ATOM 245 CA GLU A 14 -13.557 -5.897 -10.577 1.00 0.00 C ATOM 246 C GLU A 14 -13.421 -5.672 -9.081 1.00 0.00 C ATOM 247 O GLU A 14 -14.312 -6.044 -8.298 1.00 0.00 O ATOM 248 CB GLU A 14 -12.641 -7.025 -11.064 1.00 0.00 C ATOM 249 CG GLU A 14 -12.854 -8.350 -10.351 1.00 0.00 C ATOM 250 CD GLU A 14 -11.977 -9.446 -10.889 1.00 0.00 C ATOM 251 OE1 GLU A 14 -10.813 -9.576 -10.448 1.00 0.00 O ATOM 252 OE2 GLU A 14 -12.436 -10.219 -11.747 1.00 0.00 O ATOM 0 HA GLU A 14 -14.584 -6.204 -10.775 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.799 -7.170 -12.133 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.603 -6.717 -10.934 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.656 -8.221 -9.287 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.899 -8.646 -10.447 1.00 0.00 H new ATOM 259 N ILE A 15 -12.346 -5.008 -8.692 1.00 0.00 N ATOM 260 CA ILE A 15 -12.051 -4.772 -7.288 1.00 0.00 C ATOM 261 C ILE A 15 -13.151 -3.954 -6.608 1.00 0.00 C ATOM 262 O ILE A 15 -13.437 -4.142 -5.439 1.00 0.00 O ATOM 263 CB ILE A 15 -10.643 -4.103 -7.088 1.00 0.00 C ATOM 264 CG1 ILE A 15 -10.581 -2.665 -7.632 1.00 0.00 C ATOM 265 CG2 ILE A 15 -9.558 -4.936 -7.743 1.00 0.00 C ATOM 266 CD1 ILE A 15 -11.011 -1.585 -6.660 1.00 0.00 C ATOM 0 H ILE A 15 -11.657 -4.619 -9.335 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.019 -5.749 -6.806 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.478 -4.055 -6.012 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.559 -2.458 -7.950 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.210 -2.603 -8.520 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.591 -4.456 -7.593 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.543 -5.930 -7.296 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.759 -5.021 -8.811 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.930 -0.610 -7.141 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.044 -1.757 -6.359 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.368 -1.610 -5.780 1.00 0.00 H new ATOM 278 N LYS A 16 -13.801 -3.095 -7.372 1.00 0.00 N ATOM 279 CA LYS A 16 -14.809 -2.213 -6.817 1.00 0.00 C ATOM 280 C LYS A 16 -16.070 -2.937 -6.488 1.00 0.00 C ATOM 281 O LYS A 16 -16.767 -2.574 -5.550 1.00 0.00 O ATOM 282 CB LYS A 16 -15.094 -1.031 -7.728 1.00 0.00 C ATOM 283 CG LYS A 16 -14.019 0.026 -7.716 1.00 0.00 C ATOM 284 CD LYS A 16 -14.352 1.145 -8.666 1.00 0.00 C ATOM 285 CE LYS A 16 -13.249 2.172 -8.696 1.00 0.00 C ATOM 286 NZ LYS A 16 -13.530 3.231 -9.676 1.00 0.00 N ATOM 0 H LYS A 16 -13.649 -2.990 -8.375 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.395 -1.827 -5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.221 -1.394 -8.748 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -16.039 -0.577 -7.431 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.905 0.423 -6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -13.063 -0.419 -7.993 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.507 0.743 -9.667 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -15.286 1.618 -8.364 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.132 2.612 -7.706 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.305 1.687 -8.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.753 3.922 -9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.617 2.812 -10.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.419 3.709 -9.425 1.00 0.00 H new ATOM 300 N LYS A 17 -16.349 -3.974 -7.216 1.00 0.00 N ATOM 301 CA LYS A 17 -17.552 -4.713 -6.993 1.00 0.00 C ATOM 302 C LYS A 17 -17.280 -5.746 -5.898 1.00 0.00 C ATOM 303 O LYS A 17 -18.092 -5.939 -4.989 1.00 0.00 O ATOM 304 CB LYS A 17 -18.009 -5.362 -8.322 1.00 0.00 C ATOM 305 CG LYS A 17 -19.484 -5.780 -8.389 1.00 0.00 C ATOM 306 CD LYS A 17 -19.806 -6.976 -7.526 1.00 0.00 C ATOM 307 CE LYS A 17 -21.286 -7.282 -7.547 1.00 0.00 C ATOM 308 NZ LYS A 17 -21.579 -8.525 -6.819 1.00 0.00 N ATOM 0 H LYS A 17 -15.760 -4.327 -7.970 1.00 0.00 H new ATOM 0 HA LYS A 17 -18.363 -4.066 -6.658 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -17.812 -4.661 -9.133 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -17.393 -6.242 -8.505 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -20.107 -4.940 -8.081 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -19.744 -6.007 -9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -19.248 -7.843 -7.879 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -19.486 -6.786 -6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -21.838 -6.456 -7.099 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -21.628 -7.372 -8.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -22.602 -8.712 -6.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -21.070 -9.316 -7.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -21.273 -8.428 -5.830 1.00 0.00 H new ATOM 322 N LYS A 18 -16.107 -6.348 -5.962 1.00 0.00 N ATOM 323 CA LYS A 18 -15.711 -7.390 -5.034 1.00 0.00 C ATOM 324 C LYS A 18 -15.429 -6.839 -3.636 1.00 0.00 C ATOM 325 O LYS A 18 -15.876 -7.406 -2.637 1.00 0.00 O ATOM 326 CB LYS A 18 -14.492 -8.135 -5.581 1.00 0.00 C ATOM 327 CG LYS A 18 -14.049 -9.333 -4.748 1.00 0.00 C ATOM 328 CD LYS A 18 -12.975 -10.147 -5.458 1.00 0.00 C ATOM 329 CE LYS A 18 -11.707 -9.346 -5.720 1.00 0.00 C ATOM 330 NZ LYS A 18 -10.714 -10.126 -6.473 1.00 0.00 N ATOM 0 H LYS A 18 -15.399 -6.127 -6.662 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.544 -8.086 -4.936 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.715 -8.476 -6.592 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.660 -7.435 -5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.668 -8.987 -3.787 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.909 -9.969 -4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.729 -11.021 -4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.370 -10.514 -6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.956 -8.442 -6.276 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.276 -9.028 -4.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.865 -9.547 -6.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.457 -10.976 -5.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.117 -10.408 -7.389 1.00 0.00 H new ATOM 344 N PHE A 19 -14.717 -5.739 -3.559 1.00 0.00 N ATOM 345 CA PHE A 19 -14.365 -5.165 -2.264 1.00 0.00 C ATOM 346 C PHE A 19 -15.346 -4.086 -1.840 1.00 0.00 C ATOM 347 O PHE A 19 -15.259 -3.572 -0.720 1.00 0.00 O ATOM 348 CB PHE A 19 -12.934 -4.615 -2.268 1.00 0.00 C ATOM 349 CG PHE A 19 -11.887 -5.655 -2.562 1.00 0.00 C ATOM 350 CD1 PHE A 19 -11.688 -6.723 -1.702 1.00 0.00 C ATOM 351 CD2 PHE A 19 -11.113 -5.576 -3.707 1.00 0.00 C ATOM 352 CE1 PHE A 19 -10.738 -7.686 -1.979 1.00 0.00 C ATOM 353 CE2 PHE A 19 -10.165 -6.534 -3.985 1.00 0.00 C ATOM 354 CZ PHE A 19 -9.978 -7.589 -3.121 1.00 0.00 C ATOM 0 H PHE A 19 -14.369 -5.221 -4.366 1.00 0.00 H new ATOM 0 HA PHE A 19 -14.420 -5.973 -1.534 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.862 -3.820 -3.010 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.724 -4.165 -1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -12.283 -6.803 -0.804 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.255 -4.752 -4.391 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.592 -8.513 -1.300 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.568 -6.458 -4.881 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.234 -8.341 -3.340 1.00 0.00 H new ATOM 364 N LYS A 20 -16.280 -3.767 -2.739 1.00 0.00 N ATOM 365 CA LYS A 20 -17.306 -2.748 -2.516 1.00 0.00 C ATOM 366 C LYS A 20 -16.644 -1.399 -2.249 1.00 0.00 C ATOM 367 O LYS A 20 -16.610 -0.899 -1.131 1.00 0.00 O ATOM 368 CB LYS A 20 -18.272 -3.166 -1.389 1.00 0.00 C ATOM 369 CG LYS A 20 -19.475 -2.264 -1.208 1.00 0.00 C ATOM 370 CD LYS A 20 -20.359 -2.727 -0.053 1.00 0.00 C ATOM 371 CE LYS A 20 -20.888 -4.147 -0.248 1.00 0.00 C ATOM 372 NZ LYS A 20 -21.703 -4.291 -1.476 1.00 0.00 N ATOM 0 H LYS A 20 -16.345 -4.215 -3.653 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.913 -2.648 -3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -18.623 -4.178 -1.589 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -17.718 -3.200 -0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -19.140 -1.243 -1.023 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -20.058 -2.246 -2.129 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.790 -2.680 0.876 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -21.200 -2.042 0.053 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -20.048 -4.840 -0.291 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -21.489 -4.428 0.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -22.119 -5.244 -1.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -22.463 -3.581 -1.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -21.100 -4.150 -2.311 1.00 0.00 H new ATOM 386 N LEU A 21 -16.087 -0.834 -3.285 1.00 0.00 N ATOM 387 CA LEU A 21 -15.274 0.350 -3.147 1.00 0.00 C ATOM 388 C LEU A 21 -15.974 1.607 -3.675 1.00 0.00 C ATOM 389 O LEU A 21 -15.313 2.628 -3.910 1.00 0.00 O ATOM 390 CB LEU A 21 -13.959 0.152 -3.887 1.00 0.00 C ATOM 391 CG LEU A 21 -12.773 0.853 -3.261 1.00 0.00 C ATOM 392 CD1 LEU A 21 -12.431 0.172 -1.953 1.00 0.00 C ATOM 393 CD2 LEU A 21 -11.589 0.869 -4.196 1.00 0.00 C ATOM 0 H LEU A 21 -16.180 -1.175 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.095 0.500 -2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.746 -0.915 -3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.076 0.508 -4.911 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.034 1.893 -3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.577 0.671 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.287 0.226 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.183 -0.873 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.754 1.380 -3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.300 -0.155 -4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.857 1.394 -5.113 1.00 0.00 H new ATOM 405 N THR A 22 -17.283 1.526 -3.851 1.00 0.00 N ATOM 406 CA THR A 22 -18.101 2.628 -4.370 1.00 0.00 C ATOM 407 C THR A 22 -17.834 3.968 -3.624 1.00 0.00 C ATOM 408 O THR A 22 -17.763 4.014 -2.378 1.00 0.00 O ATOM 409 CB THR A 22 -19.629 2.252 -4.339 1.00 0.00 C ATOM 410 OG1 THR A 22 -20.440 3.295 -4.905 1.00 0.00 O ATOM 411 CG2 THR A 22 -20.109 1.937 -2.922 1.00 0.00 C ATOM 0 H THR A 22 -17.821 0.686 -3.637 1.00 0.00 H new ATOM 0 HA THR A 22 -17.807 2.785 -5.408 1.00 0.00 H new ATOM 0 HB THR A 22 -19.739 1.354 -4.947 1.00 0.00 H new ATOM 0 HG1 THR A 22 -21.383 3.030 -4.872 1.00 0.00 H new ATOM 0 HG21 THR A 22 -21.169 1.683 -2.945 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.542 1.095 -2.525 1.00 0.00 H new ATOM 0 HG23 THR A 22 -19.959 2.809 -2.285 1.00 0.00 H new ATOM 419 N GLY A 23 -17.645 5.023 -4.377 1.00 0.00 N ATOM 420 CA GLY A 23 -17.371 6.306 -3.797 1.00 0.00 C ATOM 421 C GLY A 23 -15.912 6.693 -3.933 1.00 0.00 C ATOM 422 O GLY A 23 -15.224 6.243 -4.862 1.00 0.00 O ATOM 0 H GLY A 23 -17.677 5.014 -5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -17.992 7.061 -4.278 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.645 6.293 -2.742 1.00 0.00 H new ATOM 426 N PRO A 24 -15.402 7.513 -3.027 1.00 0.00 N ATOM 427 CA PRO A 24 -14.022 7.959 -3.055 1.00 0.00 C ATOM 428 C PRO A 24 -13.065 6.929 -2.523 1.00 0.00 C ATOM 429 O PRO A 24 -13.356 6.172 -1.583 1.00 0.00 O ATOM 430 CB PRO A 24 -14.028 9.211 -2.188 1.00 0.00 C ATOM 431 CG PRO A 24 -15.141 9.003 -1.222 1.00 0.00 C ATOM 432 CD PRO A 24 -16.138 8.091 -1.888 1.00 0.00 C ATOM 0 HA PRO A 24 -13.678 8.143 -4.073 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.076 9.339 -1.672 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.188 10.107 -2.788 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.771 8.560 -0.297 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.605 9.953 -0.957 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -16.486 7.316 -1.205 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -17.018 8.640 -2.221 1.00 0.00 H new ATOM 440 N ILE A 25 -11.954 6.891 -3.149 1.00 0.00 N ATOM 441 CA ILE A 25 -10.899 6.012 -2.815 1.00 0.00 C ATOM 442 C ILE A 25 -9.719 6.874 -2.361 1.00 0.00 C ATOM 443 O ILE A 25 -9.147 7.634 -3.144 1.00 0.00 O ATOM 444 CB ILE A 25 -10.606 5.038 -4.036 1.00 0.00 C ATOM 445 CG1 ILE A 25 -9.367 4.131 -3.852 1.00 0.00 C ATOM 446 CG2 ILE A 25 -10.553 5.783 -5.372 1.00 0.00 C ATOM 447 CD1 ILE A 25 -8.046 4.820 -4.088 1.00 0.00 C ATOM 0 H ILE A 25 -11.743 7.496 -3.942 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.143 5.344 -1.989 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.462 4.364 -4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.376 3.727 -2.840 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.448 3.285 -4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.350 5.075 -6.176 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.509 6.274 -5.553 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.762 6.532 -5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.233 4.110 -3.937 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.011 5.200 -5.109 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.938 5.649 -3.389 1.00 0.00 H new ATOM 459 N GLN A 26 -9.437 6.821 -1.086 1.00 0.00 N ATOM 460 CA GLN A 26 -8.403 7.644 -0.468 1.00 0.00 C ATOM 461 C GLN A 26 -7.614 6.813 0.523 1.00 0.00 C ATOM 462 O GLN A 26 -8.195 5.979 1.213 1.00 0.00 O ATOM 463 CB GLN A 26 -9.060 8.816 0.264 1.00 0.00 C ATOM 464 CG GLN A 26 -9.781 9.803 -0.640 1.00 0.00 C ATOM 465 CD GLN A 26 -10.578 10.844 0.121 1.00 0.00 C ATOM 466 OE1 GLN A 26 -10.149 11.178 1.320 1.00 0.00 O flip ATOM 467 NE2 GLN A 26 -11.586 11.344 -0.378 1.00 0.00 N flip ATOM 0 H GLN A 26 -9.917 6.203 -0.432 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.731 8.021 -1.239 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.771 8.421 0.989 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.295 9.351 0.827 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.050 10.307 -1.272 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.451 9.255 -1.302 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.888 11.060 -1.310 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.119 12.042 0.140 1.00 0.00 H new ATOM 476 N VAL A 27 -6.300 7.023 0.593 1.00 0.00 N ATOM 477 CA VAL A 27 -5.454 6.249 1.516 1.00 0.00 C ATOM 478 C VAL A 27 -5.761 6.582 2.950 1.00 0.00 C ATOM 479 O VAL A 27 -6.243 7.674 3.265 1.00 0.00 O ATOM 480 CB VAL A 27 -3.917 6.468 1.318 1.00 0.00 C ATOM 481 CG1 VAL A 27 -3.424 5.853 0.051 1.00 0.00 C ATOM 482 CG2 VAL A 27 -3.543 7.944 1.375 1.00 0.00 C ATOM 0 H VAL A 27 -5.798 7.712 0.032 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.692 5.211 1.282 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.424 5.963 2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.353 6.029 -0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.615 4.780 0.069 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.943 6.300 -0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.468 8.053 1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.069 8.483 0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.824 8.353 2.345 1.00 0.00 H new ATOM 492 N ILE A 28 -5.518 5.647 3.809 1.00 0.00 N ATOM 493 CA ILE A 28 -5.628 5.910 5.215 1.00 0.00 C ATOM 494 C ILE A 28 -4.210 5.953 5.776 1.00 0.00 C ATOM 495 O ILE A 28 -3.915 6.662 6.728 1.00 0.00 O ATOM 496 CB ILE A 28 -6.438 4.831 5.972 1.00 0.00 C ATOM 497 CG1 ILE A 28 -7.754 4.477 5.241 1.00 0.00 C ATOM 498 CG2 ILE A 28 -6.748 5.337 7.377 1.00 0.00 C ATOM 499 CD1 ILE A 28 -8.749 5.613 5.117 1.00 0.00 C ATOM 0 H ILE A 28 -5.242 4.695 3.568 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.161 6.851 5.351 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.836 3.923 6.018 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.510 4.118 4.241 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.233 3.652 5.768 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.319 4.582 7.918 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.816 5.535 7.906 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.331 6.256 7.312 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.637 5.263 4.590 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.030 5.960 6.111 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.297 6.434 4.561 1.00 0.00 H new ATOM 511 N HIS A 29 -3.336 5.163 5.166 1.00 0.00 N ATOM 512 CA HIS A 29 -1.922 5.088 5.522 1.00 0.00 C ATOM 513 C HIS A 29 -1.189 4.643 4.285 1.00 0.00 C ATOM 514 O HIS A 29 -1.817 4.377 3.258 1.00 0.00 O ATOM 515 CB HIS A 29 -1.612 4.041 6.637 1.00 0.00 C ATOM 516 CG HIS A 29 -2.187 4.256 8.004 1.00 0.00 C ATOM 517 ND1 HIS A 29 -1.424 4.629 9.076 1.00 0.00 N ATOM 518 CD2 HIS A 29 -3.429 4.065 8.483 1.00 0.00 C ATOM 519 CE1 HIS A 29 -2.174 4.664 10.156 1.00 0.00 C ATOM 520 NE2 HIS A 29 -3.392 4.326 9.815 1.00 0.00 N ATOM 0 H HIS A 29 -3.593 4.545 4.396 1.00 0.00 H new ATOM 0 HA HIS A 29 -1.620 6.066 5.897 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -1.955 3.069 6.283 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.529 3.978 6.740 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -0.428 4.846 9.043 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -4.295 3.761 7.914 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.843 4.926 11.150 1.00 0.00 H new ATOM 529 N LEU A 30 0.099 4.520 4.386 1.00 0.00 N ATOM 530 CA LEU A 30 0.889 4.014 3.306 1.00 0.00 C ATOM 531 C LEU A 30 1.554 2.717 3.774 1.00 0.00 C ATOM 532 O LEU A 30 2.130 2.670 4.869 1.00 0.00 O ATOM 533 CB LEU A 30 1.924 5.061 2.889 1.00 0.00 C ATOM 534 CG LEU A 30 2.679 4.795 1.591 1.00 0.00 C ATOM 535 CD1 LEU A 30 1.710 4.702 0.425 1.00 0.00 C ATOM 536 CD2 LEU A 30 3.684 5.903 1.347 1.00 0.00 C ATOM 0 H LEU A 30 0.632 4.768 5.220 1.00 0.00 H new ATOM 0 HA LEU A 30 0.271 3.803 2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.419 6.022 2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.653 5.159 3.693 1.00 0.00 H new ATOM 0 HG LEU A 30 3.207 3.846 1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.264 4.512 -0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.007 3.887 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.162 5.640 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.221 5.709 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.162 6.857 1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.392 5.941 2.175 1.00 0.00 H new ATOM 548 N ALA A 31 1.413 1.672 2.988 1.00 0.00 N ATOM 549 CA ALA A 31 1.958 0.358 3.308 1.00 0.00 C ATOM 550 C ALA A 31 3.060 -0.021 2.322 1.00 0.00 C ATOM 551 O ALA A 31 3.339 0.699 1.378 1.00 0.00 O ATOM 552 CB ALA A 31 0.826 -0.666 3.280 1.00 0.00 C ATOM 0 H ALA A 31 0.913 1.704 2.099 1.00 0.00 H new ATOM 0 HA ALA A 31 2.401 0.378 4.304 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.222 -1.653 3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.069 -0.392 4.015 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.377 -0.685 2.287 1.00 0.00 H new ATOM 558 N LYS A 32 3.747 -1.063 2.632 1.00 0.00 N ATOM 559 CA LYS A 32 4.731 -1.662 1.821 1.00 0.00 C ATOM 560 C LYS A 32 4.769 -3.079 2.231 1.00 0.00 C ATOM 561 O LYS A 32 5.067 -3.384 3.394 1.00 0.00 O ATOM 562 CB LYS A 32 6.148 -0.990 1.811 1.00 0.00 C ATOM 563 CG LYS A 32 6.806 -0.677 3.153 1.00 0.00 C ATOM 564 CD LYS A 32 6.245 0.591 3.758 1.00 0.00 C ATOM 565 CE LYS A 32 6.959 0.981 5.034 1.00 0.00 C ATOM 566 NZ LYS A 32 8.403 1.199 4.822 1.00 0.00 N ATOM 0 H LYS A 32 3.623 -1.548 3.521 1.00 0.00 H new ATOM 0 HA LYS A 32 4.447 -1.531 0.777 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.822 -1.641 1.253 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.071 -0.057 1.252 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.651 -1.509 3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.882 -0.572 3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.327 1.403 3.035 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.184 0.454 3.965 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.511 1.890 5.435 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.817 0.200 5.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.809 1.671 5.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.875 0.283 4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.544 1.796 3.982 1.00 0.00 H new ATOM 580 N ALA A 33 4.343 -3.904 1.372 1.00 0.00 N ATOM 581 CA ALA A 33 4.312 -5.319 1.625 1.00 0.00 C ATOM 582 C ALA A 33 5.704 -5.840 1.767 1.00 0.00 C ATOM 583 O ALA A 33 6.598 -5.397 1.060 1.00 0.00 O ATOM 584 CB ALA A 33 3.586 -6.043 0.518 1.00 0.00 C ATOM 0 H ALA A 33 3.995 -3.635 0.452 1.00 0.00 H new ATOM 0 HA ALA A 33 3.772 -5.496 2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.574 -7.112 0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.562 -5.675 0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.097 -5.866 -0.429 1.00 0.00 H new ATOM 590 N CYS A 34 5.903 -6.714 2.706 1.00 0.00 N ATOM 591 CA CYS A 34 7.175 -7.326 2.880 1.00 0.00 C ATOM 592 C CYS A 34 7.057 -8.758 2.754 1.00 0.00 C ATOM 593 O CYS A 34 6.023 -9.352 3.107 1.00 0.00 O ATOM 594 CB CYS A 34 7.828 -7.099 4.254 1.00 0.00 C ATOM 595 SG CYS A 34 9.479 -7.992 4.426 1.00 0.00 S ATOM 0 H CYS A 34 5.189 -7.019 3.368 1.00 0.00 H new ATOM 0 HA CYS A 34 7.794 -6.860 2.113 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.979 -6.031 4.409 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.150 -7.442 5.036 1.00 0.00 H new ATOM 600 N CYS A 35 8.127 -9.310 2.264 1.00 0.00 N ATOM 601 CA CYS A 35 8.407 -10.681 2.342 1.00 0.00 C ATOM 602 C CYS A 35 7.457 -11.509 1.436 1.00 0.00 C ATOM 603 O CYS A 35 6.589 -10.962 0.732 1.00 0.00 O ATOM 604 CB CYS A 35 8.300 -11.081 3.839 1.00 0.00 C ATOM 605 SG CYS A 35 9.140 -9.951 5.132 1.00 0.00 S ATOM 0 H CYS A 35 8.850 -8.778 1.781 1.00 0.00 H new ATOM 0 HA CYS A 35 9.410 -10.894 1.973 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.242 -11.149 4.092 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.718 -12.082 3.948 1.00 0.00 H new ATOM 610 N ASP A 36 7.686 -12.793 1.375 1.00 0.00 N ATOM 611 CA ASP A 36 6.797 -13.681 0.651 1.00 0.00 C ATOM 612 C ASP A 36 5.615 -14.023 1.498 1.00 0.00 C ATOM 613 O ASP A 36 5.738 -14.645 2.561 1.00 0.00 O ATOM 614 CB ASP A 36 7.499 -14.933 0.122 1.00 0.00 C ATOM 615 CG ASP A 36 8.313 -14.641 -1.111 1.00 0.00 C ATOM 616 OD1 ASP A 36 9.490 -14.248 -0.987 1.00 0.00 O ATOM 617 OD2 ASP A 36 7.775 -14.776 -2.238 1.00 0.00 O ATOM 0 H ASP A 36 8.481 -13.255 1.817 1.00 0.00 H new ATOM 0 HA ASP A 36 6.452 -13.146 -0.234 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.148 -15.341 0.897 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.756 -15.697 -0.106 1.00 0.00 H new ATOM 622 N VAL A 37 4.488 -13.582 1.063 1.00 0.00 N ATOM 623 CA VAL A 37 3.258 -13.708 1.788 1.00 0.00 C ATOM 624 C VAL A 37 2.294 -14.582 1.046 1.00 0.00 C ATOM 625 O VAL A 37 2.440 -14.784 -0.167 1.00 0.00 O ATOM 626 CB VAL A 37 2.580 -12.347 2.034 1.00 0.00 C ATOM 627 CG1 VAL A 37 3.530 -11.363 2.689 1.00 0.00 C ATOM 628 CG2 VAL A 37 2.002 -11.791 0.756 1.00 0.00 C ATOM 0 H VAL A 37 4.386 -13.108 0.166 1.00 0.00 H new ATOM 0 HA VAL A 37 3.516 -14.151 2.750 1.00 0.00 H new ATOM 0 HB VAL A 37 1.755 -12.508 2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.018 -10.414 2.848 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.862 -11.761 3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.394 -11.206 2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.529 -10.830 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.799 -11.657 0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.260 -12.484 0.361 1.00 0.00 H new ATOM 638 N LYS A 38 1.367 -15.154 1.789 1.00 0.00 N ATOM 639 CA LYS A 38 0.260 -15.921 1.237 1.00 0.00 C ATOM 640 C LYS A 38 -0.365 -15.151 0.111 1.00 0.00 C ATOM 641 O LYS A 38 -0.320 -15.585 -1.056 1.00 0.00 O ATOM 642 CB LYS A 38 -0.810 -16.127 2.294 1.00 0.00 C ATOM 643 CG LYS A 38 -0.333 -16.807 3.537 1.00 0.00 C ATOM 644 CD LYS A 38 0.004 -18.271 3.299 1.00 0.00 C ATOM 645 CE LYS A 38 -1.233 -19.067 2.897 1.00 0.00 C ATOM 646 NZ LYS A 38 -2.305 -18.993 3.920 1.00 0.00 N ATOM 0 H LYS A 38 1.359 -15.100 2.808 1.00 0.00 H new ATOM 0 HA LYS A 38 0.643 -16.881 0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.228 -15.157 2.564 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.621 -16.714 1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.549 -16.290 3.916 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.101 -16.733 4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.759 -18.350 2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.436 -18.699 4.204 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.613 -18.690 1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.956 -20.109 2.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.020 -19.724 3.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.896 -19.149 4.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.752 -18.055 3.887 1.00 0.00 H new ATOM 660 N GLY A 39 -0.889 -13.969 0.448 1.00 0.00 N ATOM 661 CA GLY A 39 -1.533 -13.159 -0.546 1.00 0.00 C ATOM 662 C GLY A 39 -2.638 -13.899 -1.267 1.00 0.00 C ATOM 663 O GLY A 39 -2.684 -13.889 -2.501 1.00 0.00 O ATOM 0 H GLY A 39 -0.873 -13.572 1.387 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.945 -12.268 -0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.792 -12.822 -1.271 1.00 0.00 H new ATOM 667 N GLY A 40 -3.442 -14.624 -0.486 1.00 0.00 N ATOM 668 CA GLY A 40 -4.498 -15.514 -0.992 1.00 0.00 C ATOM 669 C GLY A 40 -5.508 -14.875 -1.953 1.00 0.00 C ATOM 670 O GLY A 40 -5.368 -13.727 -2.360 1.00 0.00 O ATOM 0 H GLY A 40 -3.379 -14.611 0.532 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.025 -16.355 -1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.043 -15.920 -0.140 1.00 0.00 H new ATOM 674 N LYS A 41 -6.555 -15.617 -2.276 1.00 0.00 N ATOM 675 CA LYS A 41 -7.541 -15.201 -3.275 1.00 0.00 C ATOM 676 C LYS A 41 -8.154 -13.826 -3.019 1.00 0.00 C ATOM 677 O LYS A 41 -8.240 -13.014 -3.930 1.00 0.00 O ATOM 678 CB LYS A 41 -8.631 -16.246 -3.479 1.00 0.00 C ATOM 679 CG LYS A 41 -8.105 -17.594 -3.951 1.00 0.00 C ATOM 680 CD LYS A 41 -9.227 -18.482 -4.466 1.00 0.00 C ATOM 681 CE LYS A 41 -9.873 -17.876 -5.712 1.00 0.00 C ATOM 682 NZ LYS A 41 -8.921 -17.770 -6.845 1.00 0.00 N ATOM 0 H LYS A 41 -6.750 -16.526 -1.856 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.969 -15.111 -4.199 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.170 -16.384 -2.542 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.350 -15.871 -4.208 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.369 -17.442 -4.740 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.593 -18.094 -3.129 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.835 -19.472 -4.699 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.979 -18.612 -3.688 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.724 -18.488 -6.011 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.261 -16.886 -5.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.446 -17.582 -7.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.255 -16.992 -6.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.394 -18.662 -6.940 1.00 0.00 H new ATOM 696 N ASN A 42 -8.558 -13.550 -1.806 1.00 0.00 N ATOM 697 CA ASN A 42 -9.144 -12.242 -1.514 1.00 0.00 C ATOM 698 C ASN A 42 -8.093 -11.287 -0.990 1.00 0.00 C ATOM 699 O ASN A 42 -8.352 -10.101 -0.794 1.00 0.00 O ATOM 700 CB ASN A 42 -10.324 -12.333 -0.523 1.00 0.00 C ATOM 701 CG ASN A 42 -9.936 -12.863 0.850 1.00 0.00 C ATOM 702 OD1 ASN A 42 -9.943 -14.060 1.086 1.00 0.00 O ATOM 703 ND2 ASN A 42 -9.619 -11.980 1.766 1.00 0.00 N ATOM 0 H ASN A 42 -8.500 -14.188 -1.012 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.538 -11.858 -2.455 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.766 -11.343 -0.408 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.093 -12.979 -0.947 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.369 -12.287 2.706 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.622 -10.986 1.539 1.00 0.00 H new ATOM 710 N GLU A 43 -6.909 -11.791 -0.795 1.00 0.00 N ATOM 711 CA GLU A 43 -5.835 -11.005 -0.258 1.00 0.00 C ATOM 712 C GLU A 43 -5.015 -10.448 -1.404 1.00 0.00 C ATOM 713 O GLU A 43 -5.209 -10.843 -2.553 1.00 0.00 O ATOM 714 CB GLU A 43 -4.959 -11.843 0.672 1.00 0.00 C ATOM 715 CG GLU A 43 -5.719 -12.506 1.807 1.00 0.00 C ATOM 716 CD GLU A 43 -4.808 -13.202 2.783 1.00 0.00 C ATOM 717 OE1 GLU A 43 -4.079 -14.142 2.390 1.00 0.00 O ATOM 718 OE2 GLU A 43 -4.792 -12.813 3.977 1.00 0.00 O ATOM 0 H GLU A 43 -6.660 -12.758 -1.003 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.247 -10.185 0.330 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.458 -12.613 0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.181 -11.206 1.093 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.305 -11.754 2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.424 -13.228 1.395 1.00 0.00 H new ATOM 725 N LEU A 44 -4.142 -9.524 -1.121 1.00 0.00 N ATOM 726 CA LEU A 44 -3.316 -8.986 -2.158 1.00 0.00 C ATOM 727 C LEU A 44 -2.168 -9.900 -2.344 1.00 0.00 C ATOM 728 O LEU A 44 -1.427 -10.207 -1.405 1.00 0.00 O ATOM 729 CB LEU A 44 -2.791 -7.599 -1.834 1.00 0.00 C ATOM 730 CG LEU A 44 -2.887 -6.527 -2.938 1.00 0.00 C ATOM 731 CD1 LEU A 44 -2.510 -5.164 -2.384 1.00 0.00 C ATOM 732 CD2 LEU A 44 -1.993 -6.872 -4.118 1.00 0.00 C ATOM 0 H LEU A 44 -3.986 -9.133 -0.192 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.921 -8.897 -3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.329 -7.231 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.744 -7.694 -1.547 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.919 -6.498 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.582 -4.417 -3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.189 -4.901 -1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.488 -5.195 -2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.082 -6.098 -4.880 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.957 -6.935 -3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.298 -7.831 -4.537 1.00 0.00 H new ATOM 744 N SER A 45 -2.004 -10.284 -3.529 1.00 0.00 N ATOM 745 CA SER A 45 -0.962 -11.182 -3.945 1.00 0.00 C ATOM 746 C SER A 45 0.310 -10.371 -4.235 1.00 0.00 C ATOM 747 O SER A 45 1.008 -10.590 -5.226 1.00 0.00 O ATOM 748 CB SER A 45 -1.453 -11.931 -5.180 1.00 0.00 C ATOM 749 OG SER A 45 -2.700 -12.586 -4.900 1.00 0.00 O ATOM 0 H SER A 45 -2.607 -9.983 -4.295 1.00 0.00 H new ATOM 0 HA SER A 45 -0.722 -11.908 -3.168 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.577 -11.236 -6.010 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.709 -12.666 -5.488 1.00 0.00 H new ATOM 0 HG SER A 45 -2.650 -13.025 -4.025 1.00 0.00 H new ATOM 755 N PHE A 46 0.613 -9.470 -3.320 1.00 0.00 N ATOM 756 CA PHE A 46 1.741 -8.592 -3.423 1.00 0.00 C ATOM 757 C PHE A 46 3.046 -9.309 -3.119 1.00 0.00 C ATOM 758 O PHE A 46 3.071 -10.500 -2.779 1.00 0.00 O ATOM 759 CB PHE A 46 1.559 -7.336 -2.539 1.00 0.00 C ATOM 760 CG PHE A 46 1.093 -7.600 -1.121 1.00 0.00 C ATOM 761 CD1 PHE A 46 1.693 -8.547 -0.327 1.00 0.00 C ATOM 762 CD2 PHE A 46 0.061 -6.877 -0.587 1.00 0.00 C ATOM 763 CE1 PHE A 46 1.263 -8.762 0.958 1.00 0.00 C ATOM 764 CE2 PHE A 46 -0.371 -7.099 0.701 1.00 0.00 C ATOM 765 CZ PHE A 46 0.234 -8.049 1.469 1.00 0.00 C ATOM 0 H PHE A 46 0.065 -9.333 -2.471 1.00 0.00 H new ATOM 0 HA PHE A 46 1.798 -8.258 -4.459 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.508 -6.801 -2.498 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.841 -6.674 -3.022 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.513 -9.130 -0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.423 -6.120 -1.186 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.751 -9.508 1.567 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.189 -6.520 1.103 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.106 -8.231 2.478 1.00 0.00 H new ATOM 775 N LYS A 47 4.105 -8.580 -3.208 1.00 0.00 N ATOM 776 CA LYS A 47 5.417 -9.113 -3.069 1.00 0.00 C ATOM 777 C LYS A 47 6.178 -8.422 -1.939 1.00 0.00 C ATOM 778 O LYS A 47 5.653 -7.558 -1.258 1.00 0.00 O ATOM 779 CB LYS A 47 6.165 -9.025 -4.401 1.00 0.00 C ATOM 780 CG LYS A 47 5.511 -9.806 -5.520 1.00 0.00 C ATOM 781 CD LYS A 47 6.179 -9.514 -6.853 1.00 0.00 C ATOM 782 CE LYS A 47 7.649 -9.893 -6.866 1.00 0.00 C ATOM 783 NZ LYS A 47 8.286 -9.480 -8.126 1.00 0.00 N ATOM 0 H LYS A 47 4.083 -7.575 -3.383 1.00 0.00 H new ATOM 0 HA LYS A 47 5.340 -10.166 -2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.241 -7.979 -4.696 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.182 -9.391 -4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.570 -10.873 -5.306 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.453 -9.550 -5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.660 -10.059 -7.642 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.079 -8.453 -7.080 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.158 -9.422 -6.025 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.752 -10.971 -6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.290 -9.750 -8.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.813 -9.949 -8.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.206 -8.449 -8.234 1.00 0.00 H new ATOM 797 N GLN A 48 7.418 -8.751 -1.857 1.00 0.00 N ATOM 798 CA GLN A 48 8.324 -8.470 -0.735 1.00 0.00 C ATOM 799 C GLN A 48 8.698 -6.997 -0.544 1.00 0.00 C ATOM 800 O GLN A 48 9.147 -6.580 0.532 1.00 0.00 O ATOM 801 CB GLN A 48 9.580 -9.349 -0.892 1.00 0.00 C ATOM 802 CG GLN A 48 10.729 -8.957 -0.003 1.00 0.00 C ATOM 803 CD GLN A 48 11.891 -9.911 -0.036 1.00 0.00 C ATOM 804 OE1 GLN A 48 11.731 -11.099 -0.277 1.00 0.00 O ATOM 805 NE2 GLN A 48 13.056 -9.415 0.259 1.00 0.00 N ATOM 0 H GLN A 48 7.884 -9.259 -2.609 1.00 0.00 H new ATOM 0 HA GLN A 48 7.779 -8.716 0.177 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.312 -10.385 -0.683 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.910 -9.308 -1.930 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.078 -7.967 -0.296 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.369 -8.877 1.023 1.00 0.00 H new ATOM 0 HE21 GLN A 48 13.151 -8.418 0.454 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.875 -10.022 0.295 1.00 0.00 H new ATOM 814 N GLY A 49 8.492 -6.254 -1.527 1.00 0.00 N ATOM 815 CA GLY A 49 8.875 -4.867 -1.521 1.00 0.00 C ATOM 816 C GLY A 49 7.887 -4.053 -2.270 1.00 0.00 C ATOM 817 O GLY A 49 8.183 -2.939 -2.709 1.00 0.00 O ATOM 0 H GLY A 49 8.047 -6.564 -2.391 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.948 -4.508 -0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.862 -4.754 -1.969 1.00 0.00 H new ATOM 821 N GLU A 50 6.720 -4.621 -2.435 1.00 0.00 N ATOM 822 CA GLU A 50 5.684 -4.023 -3.213 1.00 0.00 C ATOM 823 C GLU A 50 5.082 -2.802 -2.566 1.00 0.00 C ATOM 824 O GLU A 50 4.704 -2.805 -1.377 1.00 0.00 O ATOM 825 CB GLU A 50 4.634 -5.036 -3.592 1.00 0.00 C ATOM 826 CG GLU A 50 5.028 -5.912 -4.758 1.00 0.00 C ATOM 827 CD GLU A 50 5.535 -5.134 -5.940 1.00 0.00 C ATOM 828 OE1 GLU A 50 4.714 -4.511 -6.650 1.00 0.00 O ATOM 829 OE2 GLU A 50 6.765 -5.146 -6.184 1.00 0.00 O ATOM 0 H GLU A 50 6.467 -5.520 -2.026 1.00 0.00 H new ATOM 0 HA GLU A 50 6.153 -3.667 -4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.423 -5.668 -2.729 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.710 -4.513 -3.838 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.799 -6.611 -4.434 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.167 -6.506 -5.065 1.00 0.00 H new ATOM 836 N GLN A 51 4.958 -1.778 -3.364 1.00 0.00 N ATOM 837 CA GLN A 51 4.492 -0.529 -2.937 1.00 0.00 C ATOM 838 C GLN A 51 3.022 -0.487 -3.114 1.00 0.00 C ATOM 839 O GLN A 51 2.476 -0.339 -4.214 1.00 0.00 O ATOM 840 CB GLN A 51 5.175 0.584 -3.703 1.00 0.00 C ATOM 841 CG GLN A 51 6.679 0.565 -3.551 1.00 0.00 C ATOM 842 CD GLN A 51 7.337 1.723 -4.230 1.00 0.00 C ATOM 843 OE1 GLN A 51 7.713 1.649 -5.409 1.00 0.00 O ATOM 844 NE2 GLN A 51 7.471 2.790 -3.515 1.00 0.00 N ATOM 0 H GLN A 51 5.191 -1.812 -4.356 1.00 0.00 H new ATOM 0 HA GLN A 51 4.728 -0.383 -1.883 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.920 0.501 -4.760 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.792 1.544 -3.358 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.934 0.576 -2.491 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.071 -0.365 -3.963 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.145 2.801 -2.549 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.903 3.622 -3.917 1.00 0.00 H new ATOM 853 N ILE A 52 2.427 -0.753 -2.047 1.00 0.00 N ATOM 854 CA ILE A 52 0.994 -0.720 -1.865 1.00 0.00 C ATOM 855 C ILE A 52 0.555 0.410 -0.965 1.00 0.00 C ATOM 856 O ILE A 52 1.329 0.983 -0.235 1.00 0.00 O ATOM 857 CB ILE A 52 0.484 -2.022 -1.279 1.00 0.00 C ATOM 858 CG1 ILE A 52 1.113 -2.273 0.058 1.00 0.00 C ATOM 859 CG2 ILE A 52 0.770 -3.164 -2.198 1.00 0.00 C ATOM 860 CD1 ILE A 52 0.719 -3.574 0.623 1.00 0.00 C ATOM 0 H ILE A 52 2.926 -1.022 -1.199 1.00 0.00 H new ATOM 0 HA ILE A 52 0.571 -0.566 -2.858 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.596 -1.938 -1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.198 -2.235 -0.040 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.827 -1.478 0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.396 -4.088 -1.758 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.278 -2.993 -3.155 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.846 -3.246 -2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.200 -3.711 1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.363 -3.604 0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.029 -4.372 -0.051 1.00 0.00 H new ATOM 872 N GLU A 53 -0.662 0.755 -1.074 1.00 0.00 N ATOM 873 CA GLU A 53 -1.251 1.755 -0.247 1.00 0.00 C ATOM 874 C GLU A 53 -2.619 1.298 0.206 1.00 0.00 C ATOM 875 O GLU A 53 -3.405 0.800 -0.598 1.00 0.00 O ATOM 876 CB GLU A 53 -1.273 3.087 -0.998 1.00 0.00 C ATOM 877 CG GLU A 53 -1.670 2.954 -2.465 1.00 0.00 C ATOM 878 CD GLU A 53 -1.562 4.247 -3.231 1.00 0.00 C ATOM 879 OE1 GLU A 53 -2.382 5.168 -3.020 1.00 0.00 O ATOM 880 OE2 GLU A 53 -0.634 4.372 -4.065 1.00 0.00 O ATOM 0 H GLU A 53 -1.304 0.348 -1.754 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.659 1.911 0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.969 3.763 -0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.286 3.545 -0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.036 2.205 -2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.695 2.589 -2.525 1.00 0.00 H new ATOM 887 N ILE A 54 -2.879 1.379 1.500 1.00 0.00 N ATOM 888 CA ILE A 54 -4.183 0.954 1.994 1.00 0.00 C ATOM 889 C ILE A 54 -5.135 2.118 2.030 1.00 0.00 C ATOM 890 O ILE A 54 -4.830 3.207 2.558 1.00 0.00 O ATOM 891 CB ILE A 54 -4.201 0.169 3.364 1.00 0.00 C ATOM 892 CG1 ILE A 54 -3.893 1.046 4.579 1.00 0.00 C ATOM 893 CG2 ILE A 54 -3.222 -0.982 3.323 1.00 0.00 C ATOM 894 CD1 ILE A 54 -2.491 1.534 4.622 1.00 0.00 C ATOM 0 H ILE A 54 -2.231 1.722 2.209 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.511 0.209 1.269 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.221 -0.197 3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.567 1.903 4.578 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.099 0.479 5.487 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.246 -1.514 4.274 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.496 -1.665 2.519 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.217 -0.599 3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.347 2.149 5.510 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.810 0.683 4.655 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.285 2.129 3.732 1.00 0.00 H new ATOM 906 N ILE A 55 -6.264 1.895 1.473 1.00 0.00 N ATOM 907 CA ILE A 55 -7.266 2.912 1.324 1.00 0.00 C ATOM 908 C ILE A 55 -8.498 2.606 2.155 1.00 0.00 C ATOM 909 O ILE A 55 -9.507 3.314 2.087 1.00 0.00 O ATOM 910 CB ILE A 55 -7.649 3.187 -0.182 1.00 0.00 C ATOM 911 CG1 ILE A 55 -8.024 1.908 -0.961 1.00 0.00 C ATOM 912 CG2 ILE A 55 -6.513 3.908 -0.894 1.00 0.00 C ATOM 913 CD1 ILE A 55 -6.832 1.047 -1.357 1.00 0.00 C ATOM 0 H ILE A 55 -6.536 0.987 1.096 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.820 3.832 1.702 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.538 3.817 -0.161 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.703 1.311 -0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.569 2.191 -1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.792 4.091 -1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.318 4.859 -0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.615 3.291 -0.863 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.182 0.169 -1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.162 1.624 -1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.298 0.731 -0.461 1.00 0.00 H new ATOM 925 N ARG A 56 -8.407 1.562 2.962 1.00 0.00 N ATOM 926 CA ARG A 56 -9.489 1.195 3.846 1.00 0.00 C ATOM 927 C ARG A 56 -8.995 0.429 5.066 1.00 0.00 C ATOM 928 O ARG A 56 -8.379 -0.639 4.934 1.00 0.00 O ATOM 929 CB ARG A 56 -10.548 0.360 3.113 1.00 0.00 C ATOM 930 CG ARG A 56 -11.693 -0.091 4.013 1.00 0.00 C ATOM 931 CD ARG A 56 -12.716 -0.915 3.265 1.00 0.00 C ATOM 932 NE ARG A 56 -13.352 -0.150 2.198 1.00 0.00 N ATOM 933 CZ ARG A 56 -14.374 -0.565 1.451 1.00 0.00 C ATOM 934 NH1 ARG A 56 -14.934 -1.759 1.658 1.00 0.00 N ATOM 935 NH2 ARG A 56 -14.847 0.235 0.518 1.00 0.00 N ATOM 0 H ARG A 56 -7.590 0.955 3.020 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.940 2.128 4.185 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.953 0.945 2.287 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.070 -0.518 2.678 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.293 -0.676 4.841 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.179 0.783 4.446 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.234 -1.797 2.843 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.476 -1.270 3.961 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.983 0.782 2.008 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.580 -2.367 2.396 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.716 -2.063 1.078 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.431 1.156 0.377 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.629 -0.066 -0.063 1.00 0.00 H new ATOM 949 N ILE A 57 -9.242 0.990 6.238 1.00 0.00 N ATOM 950 CA ILE A 57 -9.024 0.292 7.490 1.00 0.00 C ATOM 951 C ILE A 57 -10.317 -0.441 7.739 1.00 0.00 C ATOM 952 O ILE A 57 -11.362 0.181 7.936 1.00 0.00 O ATOM 953 CB ILE A 57 -8.746 1.270 8.673 1.00 0.00 C ATOM 954 CG1 ILE A 57 -7.577 2.207 8.350 1.00 0.00 C ATOM 955 CG2 ILE A 57 -8.491 0.516 9.974 1.00 0.00 C ATOM 956 CD1 ILE A 57 -6.282 1.517 7.959 1.00 0.00 C ATOM 0 H ILE A 57 -9.598 1.940 6.346 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.153 -0.361 7.427 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.641 1.877 8.811 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.877 2.869 7.537 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.386 2.836 9.219 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.301 1.229 10.776 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.365 -0.086 10.223 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.625 -0.134 9.854 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.519 2.267 7.751 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.949 0.878 8.777 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.447 0.911 7.069 1.00 0.00 H new ATOM 968 N THR A 58 -10.271 -1.720 7.649 1.00 0.00 N ATOM 969 CA THR A 58 -11.443 -2.525 7.683 1.00 0.00 C ATOM 970 C THR A 58 -11.799 -2.978 9.086 1.00 0.00 C ATOM 971 O THR A 58 -10.921 -3.216 9.933 1.00 0.00 O ATOM 972 CB THR A 58 -11.187 -3.765 6.840 1.00 0.00 C ATOM 973 OG1 THR A 58 -9.959 -4.333 7.282 1.00 0.00 O ATOM 974 CG2 THR A 58 -11.072 -3.419 5.364 1.00 0.00 C ATOM 0 H THR A 58 -9.405 -2.249 7.548 1.00 0.00 H new ATOM 0 HA THR A 58 -12.271 -1.926 7.304 1.00 0.00 H new ATOM 0 HB THR A 58 -12.019 -4.460 6.955 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.685 -5.042 6.664 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.889 -4.328 4.790 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.999 -2.957 5.025 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.245 -2.724 5.216 1.00 0.00 H new ATOM 1037 N GLY A 63 -10.430 -9.032 8.652 1.00 0.00 N ATOM 1038 CA GLY A 63 -9.437 -8.393 9.476 1.00 0.00 C ATOM 1039 C GLY A 63 -8.260 -7.940 8.664 1.00 0.00 C ATOM 1040 O GLY A 63 -7.208 -7.612 9.196 1.00 0.00 O ATOM 0 HA2 GLY A 63 -9.881 -7.537 9.985 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.103 -9.086 10.249 1.00 0.00 H new ATOM 1044 N LYS A 64 -8.449 -7.892 7.382 1.00 0.00 N ATOM 1045 CA LYS A 64 -7.408 -7.548 6.468 1.00 0.00 C ATOM 1046 C LYS A 64 -7.731 -6.222 5.909 1.00 0.00 C ATOM 1047 O LYS A 64 -8.889 -5.950 5.612 1.00 0.00 O ATOM 1048 CB LYS A 64 -7.390 -8.503 5.312 1.00 0.00 C ATOM 1049 CG LYS A 64 -7.530 -9.942 5.657 1.00 0.00 C ATOM 1050 CD LYS A 64 -6.355 -10.498 6.419 1.00 0.00 C ATOM 1051 CE LYS A 64 -6.606 -11.948 6.814 1.00 0.00 C ATOM 1052 NZ LYS A 64 -6.866 -12.824 5.646 1.00 0.00 N ATOM 0 H LYS A 64 -9.344 -8.094 6.936 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.451 -7.570 6.989 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.196 -8.233 4.630 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.454 -8.369 4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.434 -10.078 6.250 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.661 -10.516 4.740 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.455 -10.433 5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.178 -9.898 7.312 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.742 -12.326 7.361 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.458 -11.993 7.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.679 -13.814 5.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.859 -12.725 5.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.243 -12.549 4.860 1.00 0.00 H new ATOM 1066 N TRP A 65 -6.752 -5.438 5.712 1.00 0.00 N ATOM 1067 CA TRP A 65 -6.948 -4.102 5.204 1.00 0.00 C ATOM 1068 C TRP A 65 -7.046 -4.107 3.716 1.00 0.00 C ATOM 1069 O TRP A 65 -6.510 -4.984 3.073 1.00 0.00 O ATOM 1070 CB TRP A 65 -5.847 -3.178 5.670 1.00 0.00 C ATOM 1071 CG TRP A 65 -6.000 -2.768 7.089 1.00 0.00 C ATOM 1072 CD1 TRP A 65 -7.064 -3.014 7.908 1.00 0.00 C ATOM 1073 CD2 TRP A 65 -5.080 -2.013 7.846 1.00 0.00 C ATOM 1074 NE1 TRP A 65 -6.854 -2.454 9.130 1.00 0.00 N ATOM 1075 CE2 TRP A 65 -5.638 -1.828 9.120 1.00 0.00 C ATOM 1076 CE3 TRP A 65 -3.833 -1.472 7.574 1.00 0.00 C ATOM 1077 CZ2 TRP A 65 -4.992 -1.121 10.113 1.00 0.00 C ATOM 1078 CZ3 TRP A 65 -3.189 -0.770 8.560 1.00 0.00 C ATOM 1079 CH2 TRP A 65 -3.767 -0.593 9.821 1.00 0.00 C ATOM 0 H TRP A 65 -5.779 -5.684 5.892 1.00 0.00 H new ATOM 0 HA TRP A 65 -7.891 -3.727 5.602 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.885 -3.674 5.542 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -5.834 -2.289 5.039 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.945 -3.572 7.627 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.496 -2.494 9.921 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.377 -1.601 6.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -5.439 -0.990 11.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.216 -0.346 8.359 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -3.237 -0.030 10.575 1.00 0.00 H new ATOM 1090 N LEU A 66 -7.735 -3.161 3.167 1.00 0.00 N ATOM 1091 CA LEU A 66 -7.864 -3.122 1.748 1.00 0.00 C ATOM 1092 C LEU A 66 -6.787 -2.230 1.173 1.00 0.00 C ATOM 1093 O LEU A 66 -6.797 -0.992 1.350 1.00 0.00 O ATOM 1094 CB LEU A 66 -9.311 -2.751 1.310 1.00 0.00 C ATOM 1095 CG LEU A 66 -9.646 -2.770 -0.212 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -9.279 -1.468 -0.878 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -8.925 -3.918 -0.914 1.00 0.00 C ATOM 0 H LEU A 66 -8.212 -2.414 3.672 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.706 -4.118 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.996 -3.435 1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.527 -1.751 1.686 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.723 -2.913 -0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.527 -1.519 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.834 -0.653 -0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.210 -1.290 -0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.175 -3.910 -1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.848 -3.799 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.236 -4.866 -0.475 1.00 0.00 H new ATOM 1109 N GLY A 67 -5.845 -2.872 0.551 1.00 0.00 N ATOM 1110 CA GLY A 67 -4.741 -2.223 -0.048 1.00 0.00 C ATOM 1111 C GLY A 67 -4.805 -2.340 -1.544 1.00 0.00 C ATOM 1112 O GLY A 67 -5.668 -3.024 -2.086 1.00 0.00 O ATOM 0 H GLY A 67 -5.832 -3.887 0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.731 -1.172 0.240 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.813 -2.662 0.317 1.00 0.00 H new ATOM 1116 N ARG A 68 -3.914 -1.689 -2.183 1.00 0.00 N ATOM 1117 CA ARG A 68 -3.761 -1.700 -3.613 1.00 0.00 C ATOM 1118 C ARG A 68 -2.332 -1.447 -3.898 1.00 0.00 C ATOM 1119 O ARG A 68 -1.686 -0.727 -3.149 1.00 0.00 O ATOM 1120 CB ARG A 68 -4.582 -0.604 -4.302 1.00 0.00 C ATOM 1121 CG ARG A 68 -4.270 0.815 -3.824 1.00 0.00 C ATOM 1122 CD ARG A 68 -4.782 1.873 -4.776 1.00 0.00 C ATOM 1123 NE ARG A 68 -3.960 1.970 -6.000 1.00 0.00 N ATOM 1124 CZ ARG A 68 -4.330 2.632 -7.108 1.00 0.00 C ATOM 1125 NH1 ARG A 68 -5.602 2.970 -7.290 1.00 0.00 N ATOM 1126 NH2 ARG A 68 -3.430 2.900 -8.052 1.00 0.00 N ATOM 0 H ARG A 68 -3.228 -1.098 -1.714 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.110 -2.661 -3.992 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.408 -0.659 -5.377 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.641 -0.804 -4.140 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.715 0.970 -2.841 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.192 0.927 -3.707 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.812 1.645 -5.050 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.793 2.839 -4.271 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.053 1.504 -6.003 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.300 2.727 -6.587 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.881 3.473 -8.133 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.462 2.602 -7.933 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.709 3.403 -8.895 1.00 0.00 H new ATOM 1140 N THR A 69 -1.830 -2.023 -4.921 1.00 0.00 N ATOM 1141 CA THR A 69 -0.500 -1.746 -5.324 1.00 0.00 C ATOM 1142 C THR A 69 -0.506 -0.463 -6.136 1.00 0.00 C ATOM 1143 O THR A 69 -1.591 0.048 -6.523 1.00 0.00 O ATOM 1144 CB THR A 69 0.061 -2.892 -6.186 1.00 0.00 C ATOM 1145 OG1 THR A 69 -0.757 -3.079 -7.353 1.00 0.00 O ATOM 1146 CG2 THR A 69 0.122 -4.194 -5.401 1.00 0.00 C ATOM 0 H THR A 69 -2.324 -2.699 -5.504 1.00 0.00 H new ATOM 0 HA THR A 69 0.130 -1.643 -4.441 1.00 0.00 H new ATOM 0 HB THR A 69 1.073 -2.618 -6.485 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.391 -3.809 -7.895 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.522 -4.984 -6.037 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.768 -4.065 -4.532 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.880 -4.467 -5.071 1.00 0.00 H new ATOM 1154 N ALA A 70 0.657 0.060 -6.416 1.00 0.00 N ATOM 1155 CA ALA A 70 0.771 1.229 -7.259 1.00 0.00 C ATOM 1156 C ALA A 70 0.513 0.861 -8.729 1.00 0.00 C ATOM 1157 O ALA A 70 0.488 1.717 -9.602 1.00 0.00 O ATOM 1158 CB ALA A 70 2.124 1.874 -7.083 1.00 0.00 C ATOM 0 H ALA A 70 1.546 -0.304 -6.073 1.00 0.00 H new ATOM 0 HA ALA A 70 0.013 1.953 -6.960 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.194 2.753 -7.724 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.252 2.173 -6.043 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.904 1.163 -7.355 1.00 0.00 H new ATOM 1164 N ARG A 71 0.317 -0.430 -8.981 1.00 0.00 N ATOM 1165 CA ARG A 71 -0.013 -0.934 -10.306 1.00 0.00 C ATOM 1166 C ARG A 71 -1.526 -1.167 -10.413 1.00 0.00 C ATOM 1167 O ARG A 71 -2.025 -1.688 -11.412 1.00 0.00 O ATOM 1168 CB ARG A 71 0.774 -2.217 -10.604 1.00 0.00 C ATOM 1169 CG ARG A 71 2.280 -2.006 -10.586 1.00 0.00 C ATOM 1170 CD ARG A 71 3.056 -3.294 -10.814 1.00 0.00 C ATOM 1171 NE ARG A 71 4.508 -3.062 -10.717 1.00 0.00 N ATOM 1172 CZ ARG A 71 5.443 -4.001 -10.470 1.00 0.00 C ATOM 1173 NH1 ARG A 71 5.086 -5.271 -10.258 1.00 0.00 N ATOM 1174 NH2 ARG A 71 6.724 -3.657 -10.418 1.00 0.00 N ATOM 0 H ARG A 71 0.383 -1.157 -8.268 1.00 0.00 H new ATOM 0 HA ARG A 71 0.272 -0.193 -11.053 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.510 -2.978 -9.869 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.478 -2.600 -11.580 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.551 -1.283 -11.355 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.571 -1.576 -9.628 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.754 -4.040 -10.079 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.814 -3.699 -11.797 1.00 0.00 H new ATOM 0 HE ARG A 71 4.835 -2.105 -10.849 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.101 -5.535 -10.283 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.798 -5.977 -10.072 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.997 -2.685 -10.565 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.435 -4.364 -10.231 1.00 0.00 H new ATOM 1188 N GLY A 72 -2.242 -0.793 -9.350 1.00 0.00 N ATOM 1189 CA GLY A 72 -3.691 -0.835 -9.359 1.00 0.00 C ATOM 1190 C GLY A 72 -4.284 -2.170 -8.957 1.00 0.00 C ATOM 1191 O GLY A 72 -5.459 -2.419 -9.206 1.00 0.00 O ATOM 0 H GLY A 72 -1.835 -0.459 -8.477 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.068 -0.066 -8.684 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.043 -0.582 -10.359 1.00 0.00 H new ATOM 1195 N SER A 73 -3.513 -3.007 -8.319 1.00 0.00 N ATOM 1196 CA SER A 73 -4.002 -4.295 -7.929 1.00 0.00 C ATOM 1197 C SER A 73 -4.412 -4.238 -6.469 1.00 0.00 C ATOM 1198 O SER A 73 -3.574 -4.083 -5.584 1.00 0.00 O ATOM 1199 CB SER A 73 -2.913 -5.336 -8.162 1.00 0.00 C ATOM 1200 OG SER A 73 -2.411 -5.221 -9.496 1.00 0.00 O ATOM 0 H SER A 73 -2.545 -2.818 -8.060 1.00 0.00 H new ATOM 0 HA SER A 73 -4.871 -4.576 -8.523 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.104 -5.196 -7.446 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.313 -6.337 -7.999 1.00 0.00 H new ATOM 0 HG SER A 73 -1.710 -5.891 -9.641 1.00 0.00 H new ATOM 1206 N TYR A 74 -5.692 -4.291 -6.240 1.00 0.00 N ATOM 1207 CA TYR A 74 -6.258 -4.215 -4.900 1.00 0.00 C ATOM 1208 C TYR A 74 -6.344 -5.585 -4.264 1.00 0.00 C ATOM 1209 O TYR A 74 -6.571 -6.598 -4.964 1.00 0.00 O ATOM 1210 CB TYR A 74 -7.651 -3.582 -4.930 1.00 0.00 C ATOM 1211 CG TYR A 74 -7.703 -2.113 -5.309 1.00 0.00 C ATOM 1212 CD1 TYR A 74 -7.433 -1.682 -6.605 1.00 0.00 C ATOM 1213 CD2 TYR A 74 -8.061 -1.162 -4.369 1.00 0.00 C ATOM 1214 CE1 TYR A 74 -7.520 -0.345 -6.945 1.00 0.00 C ATOM 1215 CE2 TYR A 74 -8.146 0.173 -4.699 1.00 0.00 C ATOM 1216 CZ TYR A 74 -7.879 0.576 -5.987 1.00 0.00 C ATOM 1217 OH TYR A 74 -7.966 1.911 -6.312 1.00 0.00 O ATOM 0 H TYR A 74 -6.390 -4.389 -6.977 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.593 -3.590 -4.304 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.268 -4.141 -5.634 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.104 -3.700 -3.946 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.151 -2.404 -7.357 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.278 -1.472 -3.358 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.308 -0.025 -7.955 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.421 0.900 -3.949 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.904 2.151 -6.461 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.165 -5.624 -2.966 1.00 0.00 N ATOM 1228 CA GLY A 75 -6.237 -6.872 -2.238 1.00 0.00 C ATOM 1229 C GLY A 75 -6.266 -6.676 -0.743 1.00 0.00 C ATOM 1230 O GLY A 75 -5.858 -5.619 -0.243 1.00 0.00 O ATOM 0 H GLY A 75 -5.968 -4.806 -2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.130 -7.416 -2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.380 -7.491 -2.502 1.00 0.00 H new ATOM 1234 N TYR A 76 -6.769 -7.674 -0.025 1.00 0.00 N ATOM 1235 CA TYR A 76 -6.755 -7.648 1.414 1.00 0.00 C ATOM 1236 C TYR A 76 -5.363 -7.909 1.947 1.00 0.00 C ATOM 1237 O TYR A 76 -4.652 -8.791 1.484 1.00 0.00 O ATOM 1238 CB TYR A 76 -7.751 -8.624 2.017 1.00 0.00 C ATOM 1239 CG TYR A 76 -9.182 -8.143 2.017 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -9.535 -6.969 2.667 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -10.177 -8.866 1.400 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -10.840 -6.535 2.696 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -11.483 -8.448 1.429 1.00 0.00 C ATOM 1244 CZ TYR A 76 -11.809 -7.281 2.076 1.00 0.00 C ATOM 1245 OH TYR A 76 -13.114 -6.875 2.115 1.00 0.00 O ATOM 0 H TYR A 76 -7.191 -8.510 -0.428 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.061 -6.646 1.715 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.697 -9.563 1.467 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.454 -8.838 3.044 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.771 -6.385 3.159 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.925 -9.780 0.883 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.099 -5.616 3.202 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.251 -9.033 0.946 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.671 -7.516 1.626 1.00 0.00 H new ATOM 1255 N ILE A 77 -4.988 -7.142 2.886 1.00 0.00 N ATOM 1256 CA ILE A 77 -3.690 -7.208 3.455 1.00 0.00 C ATOM 1257 C ILE A 77 -3.745 -7.636 4.893 1.00 0.00 C ATOM 1258 O ILE A 77 -4.459 -7.026 5.694 1.00 0.00 O ATOM 1259 CB ILE A 77 -3.034 -5.809 3.415 1.00 0.00 C ATOM 1260 CG1 ILE A 77 -2.921 -5.316 1.990 1.00 0.00 C ATOM 1261 CG2 ILE A 77 -1.671 -5.858 4.046 1.00 0.00 C ATOM 1262 CD1 ILE A 77 -2.475 -3.901 1.860 1.00 0.00 C ATOM 0 H ILE A 77 -5.585 -6.426 3.300 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.117 -7.933 2.877 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.663 -5.118 3.976 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.221 -5.955 1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.890 -5.424 1.503 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.219 -4.867 4.012 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.762 -6.180 5.083 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.043 -6.562 3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.422 -3.632 0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.186 -3.248 2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.491 -3.787 2.314 1.00 0.00 H new ATOM 1274 N LYS A 78 -3.031 -8.693 5.227 1.00 0.00 N ATOM 1275 CA LYS A 78 -2.799 -8.970 6.617 1.00 0.00 C ATOM 1276 C LYS A 78 -1.880 -7.870 7.081 1.00 0.00 C ATOM 1277 O LYS A 78 -0.849 -7.648 6.455 1.00 0.00 O ATOM 1278 CB LYS A 78 -2.103 -10.307 6.864 1.00 0.00 C ATOM 1279 CG LYS A 78 -2.852 -11.547 6.432 1.00 0.00 C ATOM 1280 CD LYS A 78 -2.122 -12.787 6.923 1.00 0.00 C ATOM 1281 CE LYS A 78 -2.809 -14.078 6.508 1.00 0.00 C ATOM 1282 NZ LYS A 78 -2.820 -14.256 5.047 1.00 0.00 N ATOM 0 H LYS A 78 -2.615 -9.353 4.571 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.753 -9.020 7.142 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.142 -10.292 6.349 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.892 -10.390 7.930 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.866 -11.528 6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.938 -11.571 5.346 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.104 -12.781 6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.048 -12.753 8.010 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.301 -14.924 6.972 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.833 -14.079 6.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.298 -15.149 4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.327 -13.463 4.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.842 -14.282 4.693 1.00 0.00 H new ATOM 1296 N THR A 79 -2.221 -7.212 8.140 1.00 0.00 N ATOM 1297 CA THR A 79 -1.490 -6.040 8.619 1.00 0.00 C ATOM 1298 C THR A 79 -0.011 -6.362 8.979 1.00 0.00 C ATOM 1299 O THR A 79 0.807 -5.475 9.158 1.00 0.00 O ATOM 1300 CB THR A 79 -2.218 -5.441 9.839 1.00 0.00 C ATOM 1301 OG1 THR A 79 -2.226 -6.396 10.924 1.00 0.00 O ATOM 1302 CG2 THR A 79 -3.653 -5.139 9.466 1.00 0.00 C ATOM 0 H THR A 79 -3.023 -7.461 8.719 1.00 0.00 H new ATOM 0 HA THR A 79 -1.465 -5.315 7.806 1.00 0.00 H new ATOM 0 HB THR A 79 -1.702 -4.531 10.146 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.688 -6.009 11.697 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.171 -4.715 10.326 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.672 -4.425 8.643 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.151 -6.059 9.160 1.00 0.00 H new ATOM 1310 N THR A 80 0.301 -7.642 9.041 1.00 0.00 N ATOM 1311 CA THR A 80 1.608 -8.126 9.374 1.00 0.00 C ATOM 1312 C THR A 80 2.435 -8.341 8.104 1.00 0.00 C ATOM 1313 O THR A 80 3.666 -8.350 8.136 1.00 0.00 O ATOM 1314 CB THR A 80 1.491 -9.454 10.163 1.00 0.00 C ATOM 1315 OG1 THR A 80 2.783 -10.031 10.406 1.00 0.00 O ATOM 1316 CG2 THR A 80 0.614 -10.446 9.412 1.00 0.00 C ATOM 0 H THR A 80 -0.372 -8.386 8.855 1.00 0.00 H new ATOM 0 HA THR A 80 2.111 -7.385 9.995 1.00 0.00 H new ATOM 0 HB THR A 80 1.030 -9.228 11.125 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.679 -10.867 10.907 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.543 -11.373 9.981 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.382 -10.024 9.281 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.052 -10.652 8.436 1.00 0.00 H new ATOM 1324 N ALA A 81 1.747 -8.457 6.980 1.00 0.00 N ATOM 1325 CA ALA A 81 2.395 -8.708 5.707 1.00 0.00 C ATOM 1326 C ALA A 81 2.975 -7.419 5.158 1.00 0.00 C ATOM 1327 O ALA A 81 3.734 -7.426 4.200 1.00 0.00 O ATOM 1328 CB ALA A 81 1.415 -9.334 4.698 1.00 0.00 C ATOM 0 H ALA A 81 0.731 -8.380 6.926 1.00 0.00 H new ATOM 0 HA ALA A 81 3.204 -9.420 5.868 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.929 -9.511 3.753 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.043 -10.280 5.091 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.578 -8.655 4.534 1.00 0.00 H new ATOM 1334 N VAL A 82 2.617 -6.309 5.780 1.00 0.00 N ATOM 1335 CA VAL A 82 3.079 -5.007 5.343 1.00 0.00 C ATOM 1336 C VAL A 82 3.564 -4.191 6.492 1.00 0.00 C ATOM 1337 O VAL A 82 3.262 -4.476 7.642 1.00 0.00 O ATOM 1338 CB VAL A 82 1.983 -4.191 4.594 1.00 0.00 C ATOM 1339 CG1 VAL A 82 1.536 -4.951 3.403 1.00 0.00 C ATOM 1340 CG2 VAL A 82 0.782 -3.909 5.472 1.00 0.00 C ATOM 0 H VAL A 82 2.004 -6.286 6.595 1.00 0.00 H new ATOM 0 HA VAL A 82 3.895 -5.209 4.650 1.00 0.00 H new ATOM 0 HB VAL A 82 2.423 -3.236 4.306 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.769 -4.383 2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.384 -5.119 2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.126 -5.911 3.717 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.045 -3.338 4.908 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.340 -4.851 5.798 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.095 -3.335 6.344 1.00 0.00 H new ATOM 1350 N GLU A 83 4.333 -3.207 6.171 1.00 0.00 N ATOM 1351 CA GLU A 83 4.767 -2.229 7.105 1.00 0.00 C ATOM 1352 C GLU A 83 3.937 -0.996 6.887 1.00 0.00 C ATOM 1353 O GLU A 83 4.074 -0.308 5.880 1.00 0.00 O ATOM 1354 CB GLU A 83 6.248 -1.941 6.925 1.00 0.00 C ATOM 1355 CG GLU A 83 7.154 -3.027 7.462 1.00 0.00 C ATOM 1356 CD GLU A 83 7.204 -3.025 8.972 1.00 0.00 C ATOM 1357 OE1 GLU A 83 6.364 -3.676 9.634 1.00 0.00 O ATOM 1358 OE2 GLU A 83 8.105 -2.348 9.534 1.00 0.00 O ATOM 0 H GLU A 83 4.686 -3.058 5.226 1.00 0.00 H new ATOM 0 HA GLU A 83 4.638 -2.586 8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.454 -1.801 5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.489 -1.002 7.423 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.804 -3.998 7.112 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.160 -2.889 7.065 1.00 0.00 H new ATOM 1365 N ILE A 84 3.021 -0.796 7.756 1.00 0.00 N ATOM 1366 CA ILE A 84 2.135 0.328 7.699 1.00 0.00 C ATOM 1367 C ILE A 84 2.790 1.539 8.348 1.00 0.00 C ATOM 1368 O ILE A 84 3.215 1.482 9.511 1.00 0.00 O ATOM 1369 CB ILE A 84 0.811 -0.017 8.423 1.00 0.00 C ATOM 1370 CG1 ILE A 84 0.045 -1.104 7.672 1.00 0.00 C ATOM 1371 CG2 ILE A 84 -0.069 1.210 8.669 1.00 0.00 C ATOM 1372 CD1 ILE A 84 -0.455 -0.670 6.332 1.00 0.00 C ATOM 0 H ILE A 84 2.853 -1.416 8.549 1.00 0.00 H new ATOM 0 HA ILE A 84 1.919 0.564 6.657 1.00 0.00 H new ATOM 0 HB ILE A 84 1.083 -0.402 9.406 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.693 -1.971 7.545 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.801 -1.425 8.279 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.983 0.906 9.179 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.471 1.927 9.288 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.323 1.673 7.715 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.989 -1.494 5.858 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.130 0.178 6.452 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.388 -0.377 5.707 1.00 0.00 H new ATOM 1384 N ASP A 85 2.934 2.603 7.599 1.00 0.00 N ATOM 1385 CA ASP A 85 3.454 3.828 8.166 1.00 0.00 C ATOM 1386 C ASP A 85 2.319 4.633 8.717 1.00 0.00 C ATOM 1387 O ASP A 85 1.184 4.548 8.241 1.00 0.00 O ATOM 1388 CB ASP A 85 4.265 4.683 7.183 1.00 0.00 C ATOM 1389 CG ASP A 85 5.580 4.060 6.747 1.00 0.00 C ATOM 1390 OD1 ASP A 85 6.423 3.709 7.628 1.00 0.00 O ATOM 1391 OD2 ASP A 85 5.813 3.925 5.535 1.00 0.00 O ATOM 0 H ASP A 85 2.703 2.650 6.607 1.00 0.00 H new ATOM 0 HA ASP A 85 4.151 3.535 8.951 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.657 4.874 6.299 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.470 5.649 7.644 1.00 0.00 H new