USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=14 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+ -153:sc= 1.63 (180deg=1.22) USER MOD Single : A 20 LYS NZ :NH3+ 153:sc= 1.22 (180deg=0.994) USER MOD Single : A 22 THR OG1 : rot -32:sc= 0.649 USER MOD Single : A 26 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.09) USER MOD Single : A 29 HIS : no HD1:sc= -0.519 X(o=-0.52,f=-0.2) USER MOD Single : A 32 LYS NZ :NH3+ 140:sc= 1.88 (180deg=-2.25) 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= -0.102 K(o=-0.1,f=-1.1) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0364) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 51 GLN : amide:sc=-0.00723 K(o=-0.0072,f=-0.98) USER MOD Single : A 58 THR OG1 : rot 167:sc= 1.18 USER MOD Single : A 64 LYS NZ :NH3+ -170:sc= 1.23 (180deg=1.04) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.206 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 70:sc= 0.711 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -31:sc= 0.171 USER MOD ----------------------------------------------------------------- ATOM 244 N GLU A 14 -12.864 -5.935 -11.001 1.00 0.00 N ATOM 245 CA GLU A 14 -13.076 -6.950 -10.005 1.00 0.00 C ATOM 246 C GLU A 14 -13.150 -6.334 -8.632 1.00 0.00 C ATOM 247 O GLU A 14 -14.184 -6.415 -7.962 1.00 0.00 O ATOM 248 CB GLU A 14 -11.944 -7.983 -10.053 1.00 0.00 C ATOM 249 CG GLU A 14 -12.000 -9.035 -8.955 1.00 0.00 C ATOM 250 CD GLU A 14 -10.723 -9.831 -8.855 1.00 0.00 C ATOM 251 OE1 GLU A 14 -9.781 -9.377 -8.188 1.00 0.00 O ATOM 252 OE2 GLU A 14 -10.633 -10.928 -9.440 1.00 0.00 O ATOM 0 HA GLU A 14 -14.022 -7.449 -10.217 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.968 -8.485 -11.020 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.990 -7.460 -9.989 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.197 -8.549 -8.000 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.833 -9.712 -9.146 1.00 0.00 H new ATOM 259 N ILE A 15 -12.080 -5.656 -8.258 1.00 0.00 N ATOM 260 CA ILE A 15 -11.895 -5.119 -6.909 1.00 0.00 C ATOM 261 C ILE A 15 -13.018 -4.198 -6.469 1.00 0.00 C ATOM 262 O ILE A 15 -13.315 -4.093 -5.282 1.00 0.00 O ATOM 263 CB ILE A 15 -10.510 -4.420 -6.758 1.00 0.00 C ATOM 264 CG1 ILE A 15 -10.375 -3.180 -7.667 1.00 0.00 C ATOM 265 CG2 ILE A 15 -9.397 -5.403 -7.041 1.00 0.00 C ATOM 266 CD1 ILE A 15 -10.812 -1.881 -7.034 1.00 0.00 C ATOM 0 H ILE A 15 -11.301 -5.457 -8.886 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.923 -5.980 -6.241 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.434 -4.072 -5.728 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.334 -3.085 -7.976 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.962 -3.343 -8.571 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.434 -4.904 -6.933 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.457 -6.233 -6.337 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.496 -5.782 -8.058 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.681 -1.067 -7.747 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.862 -1.950 -6.750 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.209 -1.687 -6.147 1.00 0.00 H new ATOM 278 N LYS A 16 -13.679 -3.586 -7.420 1.00 0.00 N ATOM 279 CA LYS A 16 -14.716 -2.644 -7.098 1.00 0.00 C ATOM 280 C LYS A 16 -15.949 -3.338 -6.569 1.00 0.00 C ATOM 281 O LYS A 16 -16.591 -2.848 -5.648 1.00 0.00 O ATOM 282 CB LYS A 16 -15.016 -1.710 -8.261 1.00 0.00 C ATOM 283 CG LYS A 16 -13.956 -0.644 -8.453 1.00 0.00 C ATOM 284 CD LYS A 16 -14.309 0.331 -9.556 1.00 0.00 C ATOM 285 CE LYS A 16 -13.190 1.338 -9.753 1.00 0.00 C ATOM 286 NZ LYS A 16 -13.492 2.319 -10.814 1.00 0.00 N ATOM 0 H LYS A 16 -13.517 -3.724 -8.418 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.347 -2.011 -6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.105 -2.295 -9.176 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.980 -1.230 -8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.821 -0.098 -7.519 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -13.003 -1.121 -8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.487 -0.211 -10.485 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -15.234 0.851 -9.308 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.011 1.865 -8.816 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.270 0.810 -10.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.698 2.983 -10.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.637 1.822 -11.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.355 2.844 -10.566 1.00 0.00 H new ATOM 300 N LYS A 17 -16.230 -4.498 -7.089 1.00 0.00 N ATOM 301 CA LYS A 17 -17.378 -5.269 -6.647 1.00 0.00 C ATOM 302 C LYS A 17 -16.951 -6.214 -5.529 1.00 0.00 C ATOM 303 O LYS A 17 -17.706 -6.501 -4.591 1.00 0.00 O ATOM 304 CB LYS A 17 -17.937 -6.065 -7.820 1.00 0.00 C ATOM 305 CG LYS A 17 -18.371 -5.204 -8.998 1.00 0.00 C ATOM 306 CD LYS A 17 -18.897 -6.053 -10.143 1.00 0.00 C ATOM 307 CE LYS A 17 -17.820 -6.968 -10.700 1.00 0.00 C ATOM 308 NZ LYS A 17 -18.346 -7.850 -11.758 1.00 0.00 N ATOM 0 H LYS A 17 -15.681 -4.941 -7.826 1.00 0.00 H new ATOM 0 HA LYS A 17 -18.151 -4.598 -6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -17.181 -6.773 -8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -18.790 -6.650 -7.476 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -19.144 -4.507 -8.675 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -17.527 -4.607 -9.344 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -19.740 -6.651 -9.796 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -19.271 -5.405 -10.936 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -17.003 -6.367 -11.100 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -17.405 -7.574 -9.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -17.582 -8.460 -12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -19.108 -8.441 -11.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -18.719 -7.272 -12.538 1.00 0.00 H new ATOM 322 N LYS A 18 -15.723 -6.652 -5.634 1.00 0.00 N ATOM 323 CA LYS A 18 -15.101 -7.583 -4.717 1.00 0.00 C ATOM 324 C LYS A 18 -14.915 -6.961 -3.332 1.00 0.00 C ATOM 325 O LYS A 18 -15.234 -7.579 -2.321 1.00 0.00 O ATOM 326 CB LYS A 18 -13.754 -7.986 -5.320 1.00 0.00 C ATOM 327 CG LYS A 18 -12.926 -8.996 -4.560 1.00 0.00 C ATOM 328 CD LYS A 18 -11.657 -9.276 -5.346 1.00 0.00 C ATOM 329 CE LYS A 18 -10.749 -10.263 -4.656 1.00 0.00 C ATOM 330 NZ LYS A 18 -9.538 -10.537 -5.450 1.00 0.00 N ATOM 0 H LYS A 18 -15.102 -6.361 -6.389 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.737 -8.457 -4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.937 -8.384 -6.318 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.156 -7.083 -5.441 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.680 -8.614 -3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.492 -9.916 -4.416 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.922 -9.660 -6.331 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.118 -8.341 -5.503 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.463 -9.873 -3.679 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.289 -11.194 -4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.182 -11.488 -5.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.768 -10.486 -6.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.808 -9.831 -5.225 1.00 0.00 H new ATOM 344 N PHE A 19 -14.423 -5.739 -3.291 1.00 0.00 N ATOM 345 CA PHE A 19 -14.135 -5.080 -2.017 1.00 0.00 C ATOM 346 C PHE A 19 -15.118 -3.976 -1.709 1.00 0.00 C ATOM 347 O PHE A 19 -15.071 -3.388 -0.627 1.00 0.00 O ATOM 348 CB PHE A 19 -12.718 -4.520 -2.019 1.00 0.00 C ATOM 349 CG PHE A 19 -11.676 -5.567 -2.227 1.00 0.00 C ATOM 350 CD1 PHE A 19 -11.463 -6.547 -1.280 1.00 0.00 C ATOM 351 CD2 PHE A 19 -10.929 -5.595 -3.388 1.00 0.00 C ATOM 352 CE1 PHE A 19 -10.524 -7.526 -1.484 1.00 0.00 C ATOM 353 CE2 PHE A 19 -9.990 -6.575 -3.596 1.00 0.00 C ATOM 354 CZ PHE A 19 -9.788 -7.541 -2.643 1.00 0.00 C ATOM 0 H PHE A 19 -14.212 -5.178 -4.117 1.00 0.00 H new ATOM 0 HA PHE A 19 -14.231 -5.836 -1.238 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.632 -3.769 -2.804 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.532 -4.014 -1.072 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -12.042 -6.544 -0.368 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.085 -4.837 -4.141 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.364 -8.285 -0.733 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.412 -6.585 -4.508 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.050 -8.313 -2.804 1.00 0.00 H new ATOM 364 N LYS A 20 -16.022 -3.734 -2.648 1.00 0.00 N ATOM 365 CA LYS A 20 -17.025 -2.672 -2.553 1.00 0.00 C ATOM 366 C LYS A 20 -16.346 -1.328 -2.453 1.00 0.00 C ATOM 367 O LYS A 20 -16.224 -0.728 -1.374 1.00 0.00 O ATOM 368 CB LYS A 20 -18.081 -2.865 -1.420 1.00 0.00 C ATOM 369 CG LYS A 20 -18.927 -4.147 -1.481 1.00 0.00 C ATOM 370 CD LYS A 20 -18.118 -5.396 -1.146 1.00 0.00 C ATOM 371 CE LYS A 20 -18.952 -6.654 -1.209 1.00 0.00 C ATOM 372 NZ LYS A 20 -19.526 -6.886 -2.552 1.00 0.00 N ATOM 0 H LYS A 20 -16.084 -4.275 -3.511 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.606 -2.725 -3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.561 -2.845 -0.462 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -18.756 -2.010 -1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -19.762 -4.061 -0.785 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -19.353 -4.250 -2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -17.282 -5.482 -1.840 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.693 -5.294 -0.147 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.337 -7.509 -0.928 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -19.759 -6.588 -0.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -19.681 -7.905 -2.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -20.433 -6.383 -2.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.868 -6.533 -3.276 1.00 0.00 H new ATOM 386 N LEU A 21 -15.847 -0.893 -3.566 1.00 0.00 N ATOM 387 CA LEU A 21 -15.099 0.329 -3.614 1.00 0.00 C ATOM 388 C LEU A 21 -16.015 1.517 -3.881 1.00 0.00 C ATOM 389 O LEU A 21 -15.704 2.638 -3.504 1.00 0.00 O ATOM 390 CB LEU A 21 -14.039 0.248 -4.701 1.00 0.00 C ATOM 391 CG LEU A 21 -12.803 1.068 -4.431 1.00 0.00 C ATOM 392 CD1 LEU A 21 -12.056 0.455 -3.259 1.00 0.00 C ATOM 393 CD2 LEU A 21 -11.922 1.159 -5.661 1.00 0.00 C ATOM 0 H LEU A 21 -15.944 -1.369 -4.463 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.618 0.471 -2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.747 -0.794 -4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.478 0.575 -5.644 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.094 2.088 -4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.159 1.039 -3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.698 0.454 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.774 -0.569 -3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.039 1.757 -5.433 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.614 0.158 -5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -12.478 1.628 -6.473 1.00 0.00 H new ATOM 405 N THR A 22 -17.154 1.242 -4.504 1.00 0.00 N ATOM 406 CA THR A 22 -18.158 2.225 -4.936 1.00 0.00 C ATOM 407 C THR A 22 -17.622 3.175 -6.023 1.00 0.00 C ATOM 408 O THR A 22 -18.002 3.062 -7.190 1.00 0.00 O ATOM 409 CB THR A 22 -18.896 2.979 -3.759 1.00 0.00 C ATOM 410 OG1 THR A 22 -17.984 3.728 -2.915 1.00 0.00 O ATOM 411 CG2 THR A 22 -19.662 1.986 -2.899 1.00 0.00 C ATOM 0 H THR A 22 -17.422 0.285 -4.736 1.00 0.00 H new ATOM 0 HA THR A 22 -18.946 1.631 -5.400 1.00 0.00 H new ATOM 0 HB THR A 22 -19.580 3.689 -4.224 1.00 0.00 H new ATOM 0 HG1 THR A 22 -17.120 3.266 -2.876 1.00 0.00 H new ATOM 0 HG21 THR A 22 -20.166 2.517 -2.092 1.00 0.00 H new ATOM 0 HG22 THR A 22 -20.401 1.469 -3.511 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.968 1.259 -2.477 1.00 0.00 H new ATOM 419 N GLY A 23 -16.711 4.029 -5.658 1.00 0.00 N ATOM 420 CA GLY A 23 -16.128 4.958 -6.572 1.00 0.00 C ATOM 421 C GLY A 23 -14.889 5.544 -5.960 1.00 0.00 C ATOM 422 O GLY A 23 -13.884 4.844 -5.831 1.00 0.00 O ATOM 0 H GLY A 23 -16.350 4.098 -4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.883 4.459 -7.510 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.840 5.749 -6.808 1.00 0.00 H new ATOM 426 N PRO A 24 -14.925 6.819 -5.551 1.00 0.00 N ATOM 427 CA PRO A 24 -13.803 7.453 -4.858 1.00 0.00 C ATOM 428 C PRO A 24 -13.619 6.823 -3.481 1.00 0.00 C ATOM 429 O PRO A 24 -14.606 6.454 -2.826 1.00 0.00 O ATOM 430 CB PRO A 24 -14.251 8.910 -4.717 1.00 0.00 C ATOM 431 CG PRO A 24 -15.732 8.864 -4.791 1.00 0.00 C ATOM 432 CD PRO A 24 -16.056 7.747 -5.730 1.00 0.00 C ATOM 0 HA PRO A 24 -12.855 7.346 -5.385 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.916 9.336 -3.771 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.835 9.530 -5.511 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.168 8.688 -3.808 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -16.135 9.810 -5.153 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.007 7.276 -5.482 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.132 8.096 -6.760 1.00 0.00 H new ATOM 440 N ILE A 25 -12.395 6.715 -3.027 1.00 0.00 N ATOM 441 CA ILE A 25 -12.131 6.045 -1.763 1.00 0.00 C ATOM 442 C ILE A 25 -11.093 6.725 -0.878 1.00 0.00 C ATOM 443 O ILE A 25 -11.347 6.922 0.317 1.00 0.00 O ATOM 444 CB ILE A 25 -11.873 4.509 -1.910 1.00 0.00 C ATOM 445 CG1 ILE A 25 -11.177 4.122 -3.250 1.00 0.00 C ATOM 446 CG2 ILE A 25 -13.152 3.716 -1.705 1.00 0.00 C ATOM 447 CD1 ILE A 25 -9.745 4.592 -3.417 1.00 0.00 C ATOM 0 H ILE A 25 -11.568 7.076 -3.503 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.071 6.151 -1.222 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.171 4.244 -1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.195 3.036 -3.345 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.768 4.524 -4.073 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.942 2.652 -1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.544 3.909 -0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -13.890 4.017 -2.448 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.365 4.265 -4.385 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.710 5.680 -3.362 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.128 4.169 -2.624 1.00 0.00 H new ATOM 459 N GLN A 26 -9.949 7.089 -1.457 1.00 0.00 N ATOM 460 CA GLN A 26 -8.862 7.793 -0.751 1.00 0.00 C ATOM 461 C GLN A 26 -8.117 6.935 0.252 1.00 0.00 C ATOM 462 O GLN A 26 -8.683 6.330 1.165 1.00 0.00 O ATOM 463 CB GLN A 26 -9.337 9.113 -0.144 1.00 0.00 C ATOM 464 CG GLN A 26 -9.850 10.113 -1.171 1.00 0.00 C ATOM 465 CD GLN A 26 -8.763 10.629 -2.084 1.00 0.00 C ATOM 466 OE1 GLN A 26 -8.104 11.617 -1.771 1.00 0.00 O ATOM 467 NE2 GLN A 26 -8.580 10.010 -3.219 1.00 0.00 N ATOM 0 H GLN A 26 -9.742 6.905 -2.439 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.126 8.031 -1.519 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.129 8.907 0.576 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.514 9.565 0.409 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.628 9.642 -1.771 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.312 10.954 -0.653 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.143 9.192 -3.450 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.874 10.345 -3.874 1.00 0.00 H new ATOM 476 N VAL A 27 -6.840 6.893 0.020 1.00 0.00 N ATOM 477 CA VAL A 27 -5.864 6.192 0.818 1.00 0.00 C ATOM 478 C VAL A 27 -5.845 6.722 2.267 1.00 0.00 C ATOM 479 O VAL A 27 -5.968 7.929 2.494 1.00 0.00 O ATOM 480 CB VAL A 27 -4.471 6.375 0.165 1.00 0.00 C ATOM 481 CG1 VAL A 27 -3.395 5.780 0.997 1.00 0.00 C ATOM 482 CG2 VAL A 27 -4.445 5.760 -1.214 1.00 0.00 C ATOM 0 H VAL A 27 -6.421 7.373 -0.776 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.126 5.135 0.858 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.289 7.447 0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.433 5.928 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.382 6.262 1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.579 4.713 1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.458 5.899 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.663 4.695 -1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.195 6.242 -1.842 1.00 0.00 H new ATOM 492 N ILE A 28 -5.702 5.827 3.225 1.00 0.00 N ATOM 493 CA ILE A 28 -5.682 6.216 4.630 1.00 0.00 C ATOM 494 C ILE A 28 -4.247 6.262 5.183 1.00 0.00 C ATOM 495 O ILE A 28 -3.869 7.204 5.877 1.00 0.00 O ATOM 496 CB ILE A 28 -6.554 5.260 5.498 1.00 0.00 C ATOM 497 CG1 ILE A 28 -8.007 5.260 5.009 1.00 0.00 C ATOM 498 CG2 ILE A 28 -6.493 5.628 6.979 1.00 0.00 C ATOM 499 CD1 ILE A 28 -8.672 6.629 4.992 1.00 0.00 C ATOM 0 H ILE A 28 -5.598 4.826 3.061 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.106 7.219 4.686 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.145 4.256 5.388 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -8.037 4.844 4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.591 4.595 5.646 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.114 4.938 7.551 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.462 5.563 7.328 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.859 6.645 7.116 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.696 6.531 4.632 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.679 7.043 6.000 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.117 7.295 4.331 1.00 0.00 H new ATOM 511 N HIS A 29 -3.450 5.258 4.862 1.00 0.00 N ATOM 512 CA HIS A 29 -2.066 5.176 5.362 1.00 0.00 C ATOM 513 C HIS A 29 -1.182 4.607 4.267 1.00 0.00 C ATOM 514 O HIS A 29 -1.682 4.210 3.210 1.00 0.00 O ATOM 515 CB HIS A 29 -1.937 4.258 6.614 1.00 0.00 C ATOM 516 CG HIS A 29 -2.713 4.651 7.836 1.00 0.00 C ATOM 517 ND1 HIS A 29 -2.537 5.831 8.510 1.00 0.00 N ATOM 518 CD2 HIS A 29 -3.678 3.987 8.506 1.00 0.00 C ATOM 519 CE1 HIS A 29 -3.357 5.877 9.533 1.00 0.00 C ATOM 520 NE2 HIS A 29 -4.058 4.767 9.551 1.00 0.00 N ATOM 0 H HIS A 29 -3.726 4.483 4.259 1.00 0.00 H new ATOM 0 HA HIS A 29 -1.762 6.183 5.647 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -2.244 3.252 6.328 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.883 4.204 6.886 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -4.075 3.014 8.257 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -3.441 6.689 10.240 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -4.773 4.529 10.239 1.00 0.00 H new ATOM 529 N LEU A 30 0.098 4.520 4.523 1.00 0.00 N ATOM 530 CA LEU A 30 1.030 3.963 3.558 1.00 0.00 C ATOM 531 C LEU A 30 1.573 2.627 4.022 1.00 0.00 C ATOM 532 O LEU A 30 2.185 2.515 5.092 1.00 0.00 O ATOM 533 CB LEU A 30 2.184 4.927 3.213 1.00 0.00 C ATOM 534 CG LEU A 30 1.926 5.984 2.113 1.00 0.00 C ATOM 535 CD1 LEU A 30 0.791 6.930 2.465 1.00 0.00 C ATOM 536 CD2 LEU A 30 3.201 6.761 1.828 1.00 0.00 C ATOM 0 H LEU A 30 0.527 4.828 5.395 1.00 0.00 H new ATOM 0 HA LEU A 30 0.460 3.808 2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.467 5.453 4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.043 4.329 2.910 1.00 0.00 H new ATOM 0 HG LEU A 30 1.619 5.448 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.654 7.650 1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.128 6.360 2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.031 7.459 3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.009 7.503 1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.532 7.264 2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.977 6.075 1.490 1.00 0.00 H new ATOM 548 N ALA A 31 1.310 1.620 3.237 1.00 0.00 N ATOM 549 CA ALA A 31 1.811 0.301 3.493 1.00 0.00 C ATOM 550 C ALA A 31 2.936 -0.015 2.533 1.00 0.00 C ATOM 551 O ALA A 31 3.226 0.733 1.613 1.00 0.00 O ATOM 552 CB ALA A 31 0.696 -0.715 3.356 1.00 0.00 C ATOM 0 H ALA A 31 0.738 1.693 2.396 1.00 0.00 H new ATOM 0 HA ALA A 31 2.196 0.256 4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.087 -1.713 3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.094 -0.487 4.072 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.291 -0.677 2.345 1.00 0.00 H new ATOM 558 N LYS A 32 3.617 -1.032 2.825 1.00 0.00 N ATOM 559 CA LYS A 32 4.636 -1.558 2.033 1.00 0.00 C ATOM 560 C LYS A 32 4.705 -2.988 2.348 1.00 0.00 C ATOM 561 O LYS A 32 5.117 -3.365 3.444 1.00 0.00 O ATOM 562 CB LYS A 32 5.982 -0.807 2.137 1.00 0.00 C ATOM 563 CG LYS A 32 6.432 -0.376 3.521 1.00 0.00 C ATOM 564 CD LYS A 32 7.763 0.348 3.407 1.00 0.00 C ATOM 565 CE LYS A 32 8.222 0.969 4.711 1.00 0.00 C ATOM 566 NZ LYS A 32 8.325 -0.002 5.809 1.00 0.00 N ATOM 0 H LYS A 32 3.469 -1.560 3.685 1.00 0.00 H new ATOM 0 HA LYS A 32 4.404 -1.419 0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.758 -1.444 1.713 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.922 0.082 1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.686 0.278 3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.531 -1.245 4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.522 -0.354 3.060 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.681 1.128 2.650 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.193 1.441 4.559 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.525 1.757 4.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.174 0.202 6.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.482 0.067 6.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.393 -0.963 5.417 1.00 0.00 H new ATOM 580 N ALA A 33 4.174 -3.763 1.478 1.00 0.00 N ATOM 581 CA ALA A 33 4.125 -5.182 1.656 1.00 0.00 C ATOM 582 C ALA A 33 5.512 -5.733 1.793 1.00 0.00 C ATOM 583 O ALA A 33 6.445 -5.250 1.147 1.00 0.00 O ATOM 584 CB ALA A 33 3.346 -5.839 0.533 1.00 0.00 C ATOM 0 H ALA A 33 3.753 -3.435 0.608 1.00 0.00 H new ATOM 0 HA ALA A 33 3.593 -5.410 2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.322 -6.917 0.689 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.327 -5.451 0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.828 -5.621 -0.420 1.00 0.00 H new ATOM 590 N CYS A 34 5.666 -6.657 2.674 1.00 0.00 N ATOM 591 CA CYS A 34 6.932 -7.243 2.921 1.00 0.00 C ATOM 592 C CYS A 34 6.837 -8.683 2.837 1.00 0.00 C ATOM 593 O CYS A 34 5.760 -9.255 3.026 1.00 0.00 O ATOM 594 CB CYS A 34 7.454 -6.944 4.336 1.00 0.00 C ATOM 595 SG CYS A 34 9.042 -7.849 4.758 1.00 0.00 S ATOM 0 H CYS A 34 4.909 -7.030 3.248 1.00 0.00 H new ATOM 0 HA CYS A 34 7.605 -6.822 2.174 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.620 -5.871 4.434 1.00 0.00 H new ATOM 0 HB3 CYS A 34 6.687 -7.215 5.062 1.00 0.00 H new ATOM 600 N CYS A 35 7.972 -9.263 2.540 1.00 0.00 N ATOM 601 CA CYS A 35 8.220 -10.631 2.749 1.00 0.00 C ATOM 602 C CYS A 35 7.390 -11.511 1.783 1.00 0.00 C ATOM 603 O CYS A 35 6.628 -11.006 0.940 1.00 0.00 O ATOM 604 CB CYS A 35 7.883 -10.928 4.241 1.00 0.00 C ATOM 605 SG CYS A 35 8.537 -9.717 5.566 1.00 0.00 S ATOM 0 H CYS A 35 8.763 -8.763 2.134 1.00 0.00 H new ATOM 0 HA CYS A 35 9.263 -10.871 2.541 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.798 -10.973 4.336 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.265 -11.921 4.478 1.00 0.00 H new ATOM 610 N ASP A 36 7.605 -12.793 1.835 1.00 0.00 N ATOM 611 CA ASP A 36 6.790 -13.718 1.077 1.00 0.00 C ATOM 612 C ASP A 36 5.481 -13.928 1.793 1.00 0.00 C ATOM 613 O ASP A 36 5.445 -14.468 2.914 1.00 0.00 O ATOM 614 CB ASP A 36 7.480 -15.056 0.861 1.00 0.00 C ATOM 615 CG ASP A 36 6.585 -16.027 0.126 1.00 0.00 C ATOM 616 OD1 ASP A 36 6.413 -15.879 -1.101 1.00 0.00 O ATOM 617 OD2 ASP A 36 6.023 -16.949 0.762 1.00 0.00 O ATOM 0 H ASP A 36 8.338 -13.230 2.394 1.00 0.00 H new ATOM 0 HA ASP A 36 6.620 -13.282 0.093 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.399 -14.906 0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.765 -15.479 1.824 1.00 0.00 H new ATOM 622 N VAL A 37 4.430 -13.477 1.190 1.00 0.00 N ATOM 623 CA VAL A 37 3.113 -13.561 1.769 1.00 0.00 C ATOM 624 C VAL A 37 2.270 -14.516 0.977 1.00 0.00 C ATOM 625 O VAL A 37 2.581 -14.792 -0.191 1.00 0.00 O ATOM 626 CB VAL A 37 2.408 -12.196 1.811 1.00 0.00 C ATOM 627 CG1 VAL A 37 3.262 -11.178 2.535 1.00 0.00 C ATOM 628 CG2 VAL A 37 2.053 -11.721 0.414 1.00 0.00 C ATOM 0 H VAL A 37 4.453 -13.034 0.272 1.00 0.00 H new ATOM 0 HA VAL A 37 3.234 -13.913 2.794 1.00 0.00 H new ATOM 0 HB VAL A 37 1.476 -12.311 2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.746 -10.218 2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.442 -11.514 3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.214 -11.068 2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.555 -10.753 0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.962 -11.625 -0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.386 -12.443 -0.057 1.00 0.00 H new ATOM 638 N LYS A 38 1.259 -15.084 1.610 1.00 0.00 N ATOM 639 CA LYS A 38 0.342 -15.937 0.896 1.00 0.00 C ATOM 640 C LYS A 38 -0.296 -15.176 -0.264 1.00 0.00 C ATOM 641 O LYS A 38 -0.300 -15.680 -1.393 1.00 0.00 O ATOM 642 CB LYS A 38 -0.699 -16.606 1.810 1.00 0.00 C ATOM 643 CG LYS A 38 -1.540 -15.652 2.634 1.00 0.00 C ATOM 644 CD LYS A 38 -2.613 -16.386 3.430 1.00 0.00 C ATOM 645 CE LYS A 38 -3.600 -17.105 2.527 1.00 0.00 C ATOM 646 NZ LYS A 38 -4.682 -17.742 3.295 1.00 0.00 N ATOM 0 H LYS A 38 1.058 -14.969 2.603 1.00 0.00 H new ATOM 0 HA LYS A 38 0.920 -16.763 0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.363 -17.212 1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.182 -17.286 2.486 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.897 -15.097 3.317 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.011 -14.922 1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.140 -17.107 4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.149 -15.674 4.058 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.027 -16.396 1.818 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.074 -17.861 1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.335 -18.222 2.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.277 -18.437 3.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.200 -17.017 3.832 1.00 0.00 H new ATOM 660 N GLY A 39 -0.772 -13.934 0.013 1.00 0.00 N ATOM 661 CA GLY A 39 -1.307 -13.067 -1.049 1.00 0.00 C ATOM 662 C GLY A 39 -2.336 -13.742 -1.924 1.00 0.00 C ATOM 663 O GLY A 39 -2.248 -13.654 -3.151 1.00 0.00 O ATOM 0 H GLY A 39 -0.793 -13.524 0.947 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.754 -12.183 -0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.483 -12.722 -1.673 1.00 0.00 H new ATOM 667 N GLY A 40 -3.231 -14.480 -1.296 1.00 0.00 N ATOM 668 CA GLY A 40 -4.207 -15.316 -1.983 1.00 0.00 C ATOM 669 C GLY A 40 -5.203 -14.590 -2.884 1.00 0.00 C ATOM 670 O GLY A 40 -4.940 -13.503 -3.397 1.00 0.00 O ATOM 0 H GLY A 40 -3.305 -14.519 -0.279 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.668 -16.046 -2.587 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.767 -15.874 -1.233 1.00 0.00 H new ATOM 674 N LYS A 41 -6.362 -15.191 -3.053 1.00 0.00 N ATOM 675 CA LYS A 41 -7.334 -14.705 -4.008 1.00 0.00 C ATOM 676 C LYS A 41 -7.986 -13.401 -3.570 1.00 0.00 C ATOM 677 O LYS A 41 -7.997 -12.432 -4.326 1.00 0.00 O ATOM 678 CB LYS A 41 -8.380 -15.775 -4.318 1.00 0.00 C ATOM 679 CG LYS A 41 -9.328 -15.395 -5.441 1.00 0.00 C ATOM 680 CD LYS A 41 -10.270 -16.524 -5.771 1.00 0.00 C ATOM 681 CE LYS A 41 -11.172 -16.165 -6.936 1.00 0.00 C ATOM 682 NZ LYS A 41 -12.011 -17.308 -7.337 1.00 0.00 N ATOM 0 H LYS A 41 -6.654 -16.021 -2.538 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.790 -14.484 -4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.871 -16.702 -4.582 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.960 -15.975 -3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.901 -14.514 -5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.754 -15.127 -6.328 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.697 -17.419 -6.014 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.877 -16.761 -4.897 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.808 -15.324 -6.660 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.565 -15.842 -7.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.617 -17.031 -8.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.403 -18.102 -7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.607 -17.599 -6.536 1.00 0.00 H new ATOM 696 N ASN A 42 -8.506 -13.347 -2.352 1.00 0.00 N ATOM 697 CA ASN A 42 -9.159 -12.112 -1.906 1.00 0.00 C ATOM 698 C ASN A 42 -8.130 -11.137 -1.373 1.00 0.00 C ATOM 699 O ASN A 42 -8.427 -9.976 -1.109 1.00 0.00 O ATOM 700 CB ASN A 42 -10.294 -12.354 -0.876 1.00 0.00 C ATOM 701 CG ASN A 42 -9.836 -12.715 0.533 1.00 0.00 C ATOM 702 OD1 ASN A 42 -8.768 -13.283 0.748 1.00 0.00 O ATOM 703 ND2 ASN A 42 -10.663 -12.417 1.507 1.00 0.00 N ATOM 0 H ASN A 42 -8.494 -14.108 -1.673 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.642 -11.677 -2.781 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.908 -11.455 -0.820 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.934 -13.155 -1.248 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.425 -12.657 2.469 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.544 -11.945 1.302 1.00 0.00 H new ATOM 710 N GLU A 43 -6.916 -11.601 -1.275 1.00 0.00 N ATOM 711 CA GLU A 43 -5.833 -10.802 -0.812 1.00 0.00 C ATOM 712 C GLU A 43 -5.163 -10.166 -2.002 1.00 0.00 C ATOM 713 O GLU A 43 -5.510 -10.459 -3.151 1.00 0.00 O ATOM 714 CB GLU A 43 -4.829 -11.645 -0.040 1.00 0.00 C ATOM 715 CG GLU A 43 -5.399 -12.304 1.194 1.00 0.00 C ATOM 716 CD GLU A 43 -4.389 -13.167 1.884 1.00 0.00 C ATOM 717 OE1 GLU A 43 -4.020 -14.217 1.312 1.00 0.00 O ATOM 718 OE2 GLU A 43 -3.984 -12.839 3.022 1.00 0.00 O ATOM 0 H GLU A 43 -6.655 -12.556 -1.519 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.214 -10.034 -0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.433 -12.416 -0.701 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.989 -11.014 0.253 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.753 -11.538 1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.263 -12.908 0.917 1.00 0.00 H new ATOM 725 N LEU A 44 -4.246 -9.290 -1.751 1.00 0.00 N ATOM 726 CA LEU A 44 -3.551 -8.649 -2.809 1.00 0.00 C ATOM 727 C LEU A 44 -2.443 -9.546 -3.257 1.00 0.00 C ATOM 728 O LEU A 44 -1.751 -10.168 -2.445 1.00 0.00 O ATOM 729 CB LEU A 44 -2.962 -7.319 -2.363 1.00 0.00 C ATOM 730 CG LEU A 44 -3.128 -6.115 -3.297 1.00 0.00 C ATOM 731 CD1 LEU A 44 -2.577 -4.865 -2.635 1.00 0.00 C ATOM 732 CD2 LEU A 44 -2.453 -6.349 -4.636 1.00 0.00 C ATOM 0 H LEU A 44 -3.962 -9.003 -0.814 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.252 -8.454 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.407 -7.061 -1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.896 -7.466 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.193 -5.980 -3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.699 -4.014 -3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.117 -4.676 -1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.518 -5.006 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.592 -5.474 -5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.388 -6.520 -4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.894 -7.221 -5.118 1.00 0.00 H new ATOM 744 N SER A 45 -2.246 -9.558 -4.515 1.00 0.00 N ATOM 745 CA SER A 45 -1.206 -10.316 -5.161 1.00 0.00 C ATOM 746 C SER A 45 0.114 -9.520 -5.060 1.00 0.00 C ATOM 747 O SER A 45 0.863 -9.400 -6.027 1.00 0.00 O ATOM 748 CB SER A 45 -1.611 -10.476 -6.621 1.00 0.00 C ATOM 749 OG SER A 45 -2.973 -10.901 -6.718 1.00 0.00 O ATOM 0 H SER A 45 -2.819 -9.023 -5.168 1.00 0.00 H new ATOM 0 HA SER A 45 -1.067 -11.293 -4.698 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.480 -9.530 -7.147 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.961 -11.203 -7.107 1.00 0.00 H new ATOM 0 HG SER A 45 -3.219 -10.998 -7.662 1.00 0.00 H new ATOM 755 N PHE A 46 0.387 -8.994 -3.878 1.00 0.00 N ATOM 756 CA PHE A 46 1.541 -8.178 -3.673 1.00 0.00 C ATOM 757 C PHE A 46 2.770 -9.003 -3.350 1.00 0.00 C ATOM 758 O PHE A 46 2.715 -10.240 -3.220 1.00 0.00 O ATOM 759 CB PHE A 46 1.310 -7.050 -2.638 1.00 0.00 C ATOM 760 CG PHE A 46 0.860 -7.479 -1.257 1.00 0.00 C ATOM 761 CD1 PHE A 46 1.602 -8.350 -0.496 1.00 0.00 C ATOM 762 CD2 PHE A 46 -0.284 -6.965 -0.713 1.00 0.00 C ATOM 763 CE1 PHE A 46 1.205 -8.691 0.766 1.00 0.00 C ATOM 764 CE2 PHE A 46 -0.687 -7.315 0.547 1.00 0.00 C ATOM 765 CZ PHE A 46 0.064 -8.183 1.285 1.00 0.00 C ATOM 0 H PHE A 46 -0.189 -9.127 -3.047 1.00 0.00 H new ATOM 0 HA PHE A 46 1.729 -7.679 -4.624 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.238 -6.487 -2.535 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.565 -6.365 -3.042 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.511 -8.770 -0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.880 -6.271 -1.287 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.806 -9.370 1.353 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.598 -6.905 0.957 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.251 -8.463 2.279 1.00 0.00 H new ATOM 775 N LYS A 47 3.843 -8.316 -3.172 1.00 0.00 N ATOM 776 CA LYS A 47 5.125 -8.896 -3.010 1.00 0.00 C ATOM 777 C LYS A 47 5.859 -8.275 -1.832 1.00 0.00 C ATOM 778 O LYS A 47 5.333 -7.439 -1.138 1.00 0.00 O ATOM 779 CB LYS A 47 5.915 -8.767 -4.316 1.00 0.00 C ATOM 780 CG LYS A 47 5.354 -9.597 -5.448 1.00 0.00 C ATOM 781 CD LYS A 47 6.103 -9.346 -6.750 1.00 0.00 C ATOM 782 CE LYS A 47 7.595 -9.645 -6.641 1.00 0.00 C ATOM 783 NZ LYS A 47 7.866 -11.054 -6.288 1.00 0.00 N ATOM 0 H LYS A 47 3.850 -7.297 -3.134 1.00 0.00 H new ATOM 0 HA LYS A 47 5.015 -9.957 -2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.932 -7.720 -4.618 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.948 -9.064 -4.137 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.415 -10.654 -5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.298 -9.363 -5.584 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.670 -9.963 -7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.966 -8.306 -7.048 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.079 -9.412 -7.589 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.039 -8.994 -5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.892 -11.222 -6.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.487 -11.254 -5.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.410 -11.680 -6.982 1.00 0.00 H new ATOM 797 N GLN A 48 7.079 -8.633 -1.721 1.00 0.00 N ATOM 798 CA GLN A 48 7.958 -8.397 -0.587 1.00 0.00 C ATOM 799 C GLN A 48 8.488 -6.956 -0.506 1.00 0.00 C ATOM 800 O GLN A 48 9.014 -6.515 0.528 1.00 0.00 O ATOM 801 CB GLN A 48 9.099 -9.427 -0.689 1.00 0.00 C ATOM 802 CG GLN A 48 10.347 -9.066 0.050 1.00 0.00 C ATOM 803 CD GLN A 48 11.334 -10.194 0.134 1.00 0.00 C ATOM 804 OE1 GLN A 48 11.415 -11.046 -0.759 1.00 0.00 O ATOM 805 NE2 GLN A 48 12.079 -10.223 1.194 1.00 0.00 N ATOM 0 H GLN A 48 7.551 -9.142 -2.469 1.00 0.00 H new ATOM 0 HA GLN A 48 7.397 -8.521 0.339 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.738 -10.385 -0.314 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.346 -9.569 -1.741 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.819 -8.215 -0.441 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.084 -8.746 1.058 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.980 -9.500 1.907 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.764 -10.969 1.315 1.00 0.00 H new ATOM 814 N GLY A 49 8.291 -6.250 -1.541 1.00 0.00 N ATOM 815 CA GLY A 49 8.817 -4.912 -1.663 1.00 0.00 C ATOM 816 C GLY A 49 7.847 -4.026 -2.371 1.00 0.00 C ATOM 817 O GLY A 49 8.216 -2.986 -2.943 1.00 0.00 O ATOM 0 H GLY A 49 7.757 -6.566 -2.350 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.030 -4.508 -0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.761 -4.935 -2.208 1.00 0.00 H new ATOM 821 N GLU A 50 6.617 -4.462 -2.381 1.00 0.00 N ATOM 822 CA GLU A 50 5.563 -3.788 -3.081 1.00 0.00 C ATOM 823 C GLU A 50 5.057 -2.558 -2.356 1.00 0.00 C ATOM 824 O GLU A 50 4.619 -2.615 -1.193 1.00 0.00 O ATOM 825 CB GLU A 50 4.430 -4.748 -3.379 1.00 0.00 C ATOM 826 CG GLU A 50 4.641 -5.622 -4.600 1.00 0.00 C ATOM 827 CD GLU A 50 4.822 -4.844 -5.877 1.00 0.00 C ATOM 828 OE1 GLU A 50 5.966 -4.450 -6.182 1.00 0.00 O ATOM 829 OE2 GLU A 50 3.828 -4.614 -6.611 1.00 0.00 O ATOM 0 H GLU A 50 6.317 -5.307 -1.896 1.00 0.00 H new ATOM 0 HA GLU A 50 5.986 -3.432 -4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.279 -5.390 -2.511 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.513 -4.175 -3.514 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.518 -6.249 -4.440 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.787 -6.290 -4.710 1.00 0.00 H new ATOM 836 N GLN A 51 5.081 -1.470 -3.073 1.00 0.00 N ATOM 837 CA GLN A 51 4.617 -0.216 -2.610 1.00 0.00 C ATOM 838 C GLN A 51 3.160 -0.188 -2.838 1.00 0.00 C ATOM 839 O GLN A 51 2.665 -0.026 -3.959 1.00 0.00 O ATOM 840 CB GLN A 51 5.266 0.960 -3.342 1.00 0.00 C ATOM 841 CG GLN A 51 6.762 1.088 -3.152 1.00 0.00 C ATOM 842 CD GLN A 51 7.304 2.372 -3.750 1.00 0.00 C ATOM 843 OE1 GLN A 51 6.601 3.401 -3.811 1.00 0.00 O ATOM 844 NE2 GLN A 51 8.526 2.337 -4.193 1.00 0.00 N ATOM 0 H GLN A 51 5.439 -1.443 -4.028 1.00 0.00 H new ATOM 0 HA GLN A 51 4.875 -0.108 -1.557 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.058 0.864 -4.408 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.793 1.883 -3.006 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.996 1.057 -2.088 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.260 0.235 -3.613 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.069 1.476 -4.125 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.942 3.171 -4.608 1.00 0.00 H new ATOM 853 N ILE A 52 2.513 -0.481 -1.818 1.00 0.00 N ATOM 854 CA ILE A 52 1.077 -0.470 -1.763 1.00 0.00 C ATOM 855 C ILE A 52 0.535 0.620 -0.852 1.00 0.00 C ATOM 856 O ILE A 52 1.235 1.157 -0.022 1.00 0.00 O ATOM 857 CB ILE A 52 0.512 -1.815 -1.316 1.00 0.00 C ATOM 858 CG1 ILE A 52 0.917 -2.141 0.084 1.00 0.00 C ATOM 859 CG2 ILE A 52 0.961 -2.911 -2.235 1.00 0.00 C ATOM 860 CD1 ILE A 52 0.306 -3.405 0.539 1.00 0.00 C ATOM 0 H ILE A 52 2.953 -0.753 -0.939 1.00 0.00 H new ATOM 0 HA ILE A 52 0.752 -0.264 -2.783 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.575 -1.737 -1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.003 -2.218 0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.619 -1.331 0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.547 -3.861 -1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.614 -2.702 -3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.050 -2.967 -2.229 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.621 -3.614 1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.780 -3.317 0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.625 -4.219 -0.112 1.00 0.00 H new ATOM 872 N GLU A 53 -0.686 0.978 -1.052 1.00 0.00 N ATOM 873 CA GLU A 53 -1.338 1.945 -0.197 1.00 0.00 C ATOM 874 C GLU A 53 -2.617 1.330 0.302 1.00 0.00 C ATOM 875 O GLU A 53 -3.286 0.637 -0.456 1.00 0.00 O ATOM 876 CB GLU A 53 -1.657 3.222 -0.966 1.00 0.00 C ATOM 877 CG GLU A 53 -0.461 3.890 -1.604 1.00 0.00 C ATOM 878 CD GLU A 53 -0.848 5.061 -2.463 1.00 0.00 C ATOM 879 OE1 GLU A 53 -1.355 4.852 -3.585 1.00 0.00 O ATOM 880 OE2 GLU A 53 -0.616 6.208 -2.069 1.00 0.00 O ATOM 0 H GLU A 53 -1.271 0.618 -1.806 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.678 2.205 0.631 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.384 2.989 -1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.132 3.930 -0.287 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.223 4.225 -0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.078 3.162 -2.209 1.00 0.00 H new ATOM 887 N ILE A 54 -2.950 1.527 1.559 1.00 0.00 N ATOM 888 CA ILE A 54 -4.214 0.981 2.047 1.00 0.00 C ATOM 889 C ILE A 54 -5.267 2.057 2.167 1.00 0.00 C ATOM 890 O ILE A 54 -5.012 3.169 2.665 1.00 0.00 O ATOM 891 CB ILE A 54 -4.148 0.102 3.348 1.00 0.00 C ATOM 892 CG1 ILE A 54 -3.935 0.913 4.622 1.00 0.00 C ATOM 893 CG2 ILE A 54 -3.060 -0.941 3.220 1.00 0.00 C ATOM 894 CD1 ILE A 54 -2.616 1.583 4.701 1.00 0.00 C ATOM 0 H ILE A 54 -2.394 2.039 2.244 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.498 0.269 1.272 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.123 -0.377 3.440 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.718 1.667 4.694 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.047 0.253 5.482 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.025 -1.543 4.128 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.271 -1.584 2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.099 -0.448 3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.545 2.138 5.637 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.825 0.834 4.662 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.506 2.270 3.862 1.00 0.00 H new ATOM 906 N ILE A 55 -6.427 1.730 1.699 1.00 0.00 N ATOM 907 CA ILE A 55 -7.528 2.655 1.620 1.00 0.00 C ATOM 908 C ILE A 55 -8.561 2.346 2.699 1.00 0.00 C ATOM 909 O ILE A 55 -9.301 3.218 3.146 1.00 0.00 O ATOM 910 CB ILE A 55 -8.205 2.601 0.190 1.00 0.00 C ATOM 911 CG1 ILE A 55 -7.304 3.178 -0.929 1.00 0.00 C ATOM 912 CG2 ILE A 55 -9.558 3.271 0.156 1.00 0.00 C ATOM 913 CD1 ILE A 55 -6.101 2.338 -1.289 1.00 0.00 C ATOM 0 H ILE A 55 -6.648 0.797 1.352 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.139 3.660 1.781 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.347 1.538 -0.007 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.910 3.317 -1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.958 4.165 -0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.973 3.202 -0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.227 2.775 0.859 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.452 4.320 0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.537 2.830 -2.082 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.465 2.219 -0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.431 1.358 -1.634 1.00 0.00 H new ATOM 925 N ARG A 56 -8.586 1.130 3.147 1.00 0.00 N ATOM 926 CA ARG A 56 -9.597 0.736 4.078 1.00 0.00 C ATOM 927 C ARG A 56 -8.978 0.105 5.282 1.00 0.00 C ATOM 928 O ARG A 56 -8.235 -0.882 5.162 1.00 0.00 O ATOM 929 CB ARG A 56 -10.509 -0.267 3.425 1.00 0.00 C ATOM 930 CG ARG A 56 -11.791 -0.554 4.170 1.00 0.00 C ATOM 931 CD ARG A 56 -12.488 -1.713 3.516 1.00 0.00 C ATOM 932 NE ARG A 56 -13.946 -1.685 3.700 1.00 0.00 N ATOM 933 CZ ARG A 56 -14.835 -1.543 2.696 1.00 0.00 C ATOM 934 NH1 ARG A 56 -14.420 -1.231 1.459 1.00 0.00 N ATOM 935 NH2 ARG A 56 -16.136 -1.650 2.938 1.00 0.00 N ATOM 0 H ARG A 56 -7.925 0.398 2.887 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.157 1.620 4.381 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.761 0.091 2.427 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.963 -1.202 3.300 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.576 -0.784 5.214 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.435 0.325 4.163 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.262 -1.711 2.450 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.094 -2.644 3.924 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.309 -1.779 4.649 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.426 -1.099 1.273 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.099 -1.125 0.705 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.465 -1.840 3.885 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.807 -1.542 2.177 1.00 0.00 H new ATOM 949 N ILE A 57 -9.265 0.657 6.419 1.00 0.00 N ATOM 950 CA ILE A 57 -8.847 0.089 7.653 1.00 0.00 C ATOM 951 C ILE A 57 -10.086 -0.540 8.238 1.00 0.00 C ATOM 952 O ILE A 57 -10.958 0.149 8.786 1.00 0.00 O ATOM 953 CB ILE A 57 -8.311 1.185 8.628 1.00 0.00 C ATOM 954 CG1 ILE A 57 -7.198 2.015 7.967 1.00 0.00 C ATOM 955 CG2 ILE A 57 -7.826 0.579 9.941 1.00 0.00 C ATOM 956 CD1 ILE A 57 -6.020 1.201 7.482 1.00 0.00 C ATOM 0 H ILE A 57 -9.800 1.520 6.513 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.039 -0.627 7.502 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.143 1.851 8.858 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.620 2.560 7.123 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.842 2.758 8.681 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.460 1.371 10.594 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.651 0.059 10.428 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.020 -0.127 9.740 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.282 1.863 7.029 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.569 0.676 8.324 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.359 0.476 6.742 1.00 0.00 H new ATOM 968 N THR A 58 -10.221 -1.805 8.021 1.00 0.00 N ATOM 969 CA THR A 58 -11.326 -2.552 8.516 1.00 0.00 C ATOM 970 C THR A 58 -11.202 -2.859 10.010 1.00 0.00 C ATOM 971 O THR A 58 -10.101 -3.115 10.530 1.00 0.00 O ATOM 972 CB THR A 58 -11.389 -3.846 7.711 1.00 0.00 C ATOM 973 OG1 THR A 58 -10.068 -4.094 7.183 1.00 0.00 O ATOM 974 CG2 THR A 58 -12.371 -3.730 6.567 1.00 0.00 C ATOM 0 H THR A 58 -9.553 -2.359 7.484 1.00 0.00 H new ATOM 0 HA THR A 58 -12.238 -1.966 8.404 1.00 0.00 H new ATOM 0 HB THR A 58 -11.721 -4.661 8.354 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.021 -5.009 6.836 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.394 -4.667 6.011 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.365 -3.517 6.961 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.063 -2.922 5.903 1.00 0.00 H new ATOM 1037 N GLY A 63 -10.755 -9.558 8.561 1.00 0.00 N ATOM 1038 CA GLY A 63 -9.488 -10.145 8.911 1.00 0.00 C ATOM 1039 C GLY A 63 -8.329 -9.484 8.224 1.00 0.00 C ATOM 1040 O GLY A 63 -7.187 -9.583 8.674 1.00 0.00 O ATOM 0 HA2 GLY A 63 -9.349 -10.081 9.990 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.500 -11.204 8.654 1.00 0.00 H new ATOM 1044 N LYS A 64 -8.612 -8.786 7.159 1.00 0.00 N ATOM 1045 CA LYS A 64 -7.586 -8.200 6.338 1.00 0.00 C ATOM 1046 C LYS A 64 -7.944 -6.754 6.029 1.00 0.00 C ATOM 1047 O LYS A 64 -9.122 -6.387 6.076 1.00 0.00 O ATOM 1048 CB LYS A 64 -7.474 -8.968 5.010 1.00 0.00 C ATOM 1049 CG LYS A 64 -7.285 -10.483 5.113 1.00 0.00 C ATOM 1050 CD LYS A 64 -5.984 -10.866 5.803 1.00 0.00 C ATOM 1051 CE LYS A 64 -5.885 -12.373 6.062 1.00 0.00 C ATOM 1052 NZ LYS A 64 -5.879 -13.192 4.827 1.00 0.00 N ATOM 0 H LYS A 64 -9.562 -8.606 6.834 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.638 -8.247 6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.375 -8.775 4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.636 -8.557 4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.123 -10.913 5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.303 -10.916 4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.142 -10.549 5.188 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.906 -10.331 6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.975 -12.576 6.626 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.723 -12.681 6.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.981 -14.197 5.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.670 -12.905 4.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.982 -13.050 4.321 1.00 0.00 H new ATOM 1066 N TRP A 65 -6.942 -5.957 5.722 1.00 0.00 N ATOM 1067 CA TRP A 65 -7.123 -4.565 5.304 1.00 0.00 C ATOM 1068 C TRP A 65 -7.193 -4.484 3.803 1.00 0.00 C ATOM 1069 O TRP A 65 -6.789 -5.406 3.125 1.00 0.00 O ATOM 1070 CB TRP A 65 -5.975 -3.687 5.795 1.00 0.00 C ATOM 1071 CG TRP A 65 -6.071 -3.304 7.231 1.00 0.00 C ATOM 1072 CD1 TRP A 65 -7.048 -3.648 8.113 1.00 0.00 C ATOM 1073 CD2 TRP A 65 -5.167 -2.469 7.940 1.00 0.00 C ATOM 1074 NE1 TRP A 65 -6.803 -3.077 9.326 1.00 0.00 N ATOM 1075 CE2 TRP A 65 -5.655 -2.348 9.248 1.00 0.00 C ATOM 1076 CE3 TRP A 65 -3.988 -1.812 7.598 1.00 0.00 C ATOM 1077 CZ2 TRP A 65 -5.011 -1.594 10.213 1.00 0.00 C ATOM 1078 CZ3 TRP A 65 -3.344 -1.064 8.559 1.00 0.00 C ATOM 1079 CH2 TRP A 65 -3.858 -0.958 9.854 1.00 0.00 C ATOM 0 H TRP A 65 -5.966 -6.251 5.753 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.054 -4.204 5.742 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -5.035 -4.214 5.633 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -5.941 -2.781 5.190 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.893 -4.280 7.885 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.385 -3.179 10.157 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.586 -1.887 6.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -5.407 -1.512 11.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.427 -0.551 8.307 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -3.333 -0.361 10.585 1.00 0.00 H new ATOM 1090 N LEU A 66 -7.696 -3.398 3.282 1.00 0.00 N ATOM 1091 CA LEU A 66 -7.799 -3.243 1.847 1.00 0.00 C ATOM 1092 C LEU A 66 -6.711 -2.312 1.337 1.00 0.00 C ATOM 1093 O LEU A 66 -6.677 -1.112 1.674 1.00 0.00 O ATOM 1094 CB LEU A 66 -9.241 -2.797 1.441 1.00 0.00 C ATOM 1095 CG LEU A 66 -9.560 -2.505 -0.061 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -9.117 -1.109 -0.480 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -8.918 -3.547 -0.969 1.00 0.00 C ATOM 0 H LEU A 66 -8.042 -2.606 3.824 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.634 -4.206 1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.930 -3.572 1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.476 -1.895 2.006 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.643 -2.559 -0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.359 -0.951 -1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.634 -0.366 0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.041 -1.010 -0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.156 -3.320 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.837 -3.532 -0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.302 -4.536 -0.717 1.00 0.00 H new ATOM 1109 N GLY A 67 -5.834 -2.872 0.547 1.00 0.00 N ATOM 1110 CA GLY A 67 -4.741 -2.149 -0.027 1.00 0.00 C ATOM 1111 C GLY A 67 -4.803 -2.168 -1.528 1.00 0.00 C ATOM 1112 O GLY A 67 -5.713 -2.743 -2.099 1.00 0.00 O ATOM 0 H GLY A 67 -5.863 -3.857 0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.758 -1.118 0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.799 -2.585 0.306 1.00 0.00 H new ATOM 1116 N ARG A 68 -3.845 -1.553 -2.149 1.00 0.00 N ATOM 1117 CA ARG A 68 -3.720 -1.495 -3.584 1.00 0.00 C ATOM 1118 C ARG A 68 -2.264 -1.357 -3.885 1.00 0.00 C ATOM 1119 O ARG A 68 -1.553 -0.720 -3.121 1.00 0.00 O ATOM 1120 CB ARG A 68 -4.459 -0.280 -4.181 1.00 0.00 C ATOM 1121 CG ARG A 68 -3.830 1.080 -3.870 1.00 0.00 C ATOM 1122 CD ARG A 68 -4.565 2.198 -4.566 1.00 0.00 C ATOM 1123 NE ARG A 68 -3.911 3.489 -4.393 1.00 0.00 N ATOM 1124 CZ ARG A 68 -4.460 4.658 -4.695 1.00 0.00 C ATOM 1125 NH1 ARG A 68 -5.737 4.726 -5.071 1.00 0.00 N ATOM 1126 NH2 ARG A 68 -3.737 5.752 -4.587 1.00 0.00 N ATOM 0 H ARG A 68 -3.099 -1.058 -1.659 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.158 -2.393 -4.019 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.509 -0.401 -5.263 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.485 -0.281 -3.812 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.841 1.250 -2.793 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.786 1.079 -4.182 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.640 1.972 -5.630 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.583 2.255 -4.180 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.964 3.494 -4.013 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.298 3.876 -5.128 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.153 5.628 -5.302 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.768 5.694 -4.275 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.146 6.658 -4.816 1.00 0.00 H new ATOM 1140 N THR A 69 -1.810 -1.942 -4.935 1.00 0.00 N ATOM 1141 CA THR A 69 -0.449 -1.767 -5.337 1.00 0.00 C ATOM 1142 C THR A 69 -0.293 -0.421 -6.031 1.00 0.00 C ATOM 1143 O THR A 69 -1.299 0.254 -6.332 1.00 0.00 O ATOM 1144 CB THR A 69 -0.009 -2.901 -6.284 1.00 0.00 C ATOM 1145 OG1 THR A 69 -0.994 -3.081 -7.332 1.00 0.00 O ATOM 1146 CG2 THR A 69 0.187 -4.200 -5.517 1.00 0.00 C ATOM 0 H THR A 69 -2.361 -2.552 -5.539 1.00 0.00 H new ATOM 0 HA THR A 69 0.185 -1.796 -4.451 1.00 0.00 H new ATOM 0 HB THR A 69 0.944 -2.625 -6.735 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.707 -3.802 -7.930 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.497 -4.986 -6.206 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.955 -4.061 -4.756 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.750 -4.485 -5.039 1.00 0.00 H new ATOM 1154 N ALA A 70 0.939 -0.022 -6.290 1.00 0.00 N ATOM 1155 CA ALA A 70 1.222 1.199 -7.041 1.00 0.00 C ATOM 1156 C ALA A 70 0.707 1.068 -8.478 1.00 0.00 C ATOM 1157 O ALA A 70 0.581 2.036 -9.208 1.00 0.00 O ATOM 1158 CB ALA A 70 2.712 1.483 -7.032 1.00 0.00 C ATOM 0 H ALA A 70 1.772 -0.529 -5.990 1.00 0.00 H new ATOM 0 HA ALA A 70 0.707 2.034 -6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.912 2.395 -7.594 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.052 1.609 -6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.244 0.650 -7.491 1.00 0.00 H new ATOM 1164 N ARG A 71 0.406 -0.159 -8.849 1.00 0.00 N ATOM 1165 CA ARG A 71 -0.142 -0.494 -10.139 1.00 0.00 C ATOM 1166 C ARG A 71 -1.678 -0.447 -10.120 1.00 0.00 C ATOM 1167 O ARG A 71 -2.334 -0.699 -11.130 1.00 0.00 O ATOM 1168 CB ARG A 71 0.383 -1.857 -10.606 1.00 0.00 C ATOM 1169 CG ARG A 71 1.724 -1.807 -11.356 1.00 0.00 C ATOM 1170 CD ARG A 71 2.854 -1.120 -10.580 1.00 0.00 C ATOM 1171 NE ARG A 71 3.256 -1.837 -9.369 1.00 0.00 N ATOM 1172 CZ ARG A 71 4.237 -1.451 -8.538 1.00 0.00 C ATOM 1173 NH1 ARG A 71 4.960 -0.366 -8.799 1.00 0.00 N ATOM 1174 NH2 ARG A 71 4.524 -2.179 -7.485 1.00 0.00 N ATOM 0 H ARG A 71 0.541 -0.969 -8.244 1.00 0.00 H new ATOM 0 HA ARG A 71 0.189 0.254 -10.860 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.492 -2.506 -9.737 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.363 -2.316 -11.254 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.031 -2.825 -11.597 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.579 -1.285 -12.302 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.720 -1.015 -11.234 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.536 -0.114 -10.307 1.00 0.00 H new ATOM 0 HE ARG A 71 2.753 -2.694 -9.139 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.772 0.183 -9.638 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.703 -0.082 -8.160 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.002 -3.036 -7.300 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.269 -1.888 -6.852 1.00 0.00 H new ATOM 1188 N GLY A 72 -2.239 -0.118 -8.966 1.00 0.00 N ATOM 1189 CA GLY A 72 -3.672 0.083 -8.848 1.00 0.00 C ATOM 1190 C GLY A 72 -4.470 -1.189 -8.656 1.00 0.00 C ATOM 1191 O GLY A 72 -5.689 -1.191 -8.839 1.00 0.00 O ATOM 0 H GLY A 72 -1.721 0.015 -8.097 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.865 0.749 -8.007 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.030 0.590 -9.744 1.00 0.00 H new ATOM 1195 N SER A 73 -3.821 -2.251 -8.284 1.00 0.00 N ATOM 1196 CA SER A 73 -4.499 -3.484 -8.077 1.00 0.00 C ATOM 1197 C SER A 73 -4.769 -3.631 -6.593 1.00 0.00 C ATOM 1198 O SER A 73 -3.848 -3.692 -5.791 1.00 0.00 O ATOM 1199 CB SER A 73 -3.659 -4.629 -8.631 1.00 0.00 C ATOM 1200 OG SER A 73 -3.342 -4.383 -10.007 1.00 0.00 O ATOM 0 H SER A 73 -2.815 -2.283 -8.118 1.00 0.00 H new ATOM 0 HA SER A 73 -5.453 -3.505 -8.605 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.742 -4.732 -8.051 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.203 -5.569 -8.537 1.00 0.00 H new ATOM 0 HG SER A 73 -2.801 -5.122 -10.355 1.00 0.00 H new ATOM 1206 N TYR A 74 -6.023 -3.592 -6.244 1.00 0.00 N ATOM 1207 CA TYR A 74 -6.470 -3.658 -4.855 1.00 0.00 C ATOM 1208 C TYR A 74 -6.535 -5.094 -4.349 1.00 0.00 C ATOM 1209 O TYR A 74 -6.722 -6.032 -5.136 1.00 0.00 O ATOM 1210 CB TYR A 74 -7.840 -2.965 -4.694 1.00 0.00 C ATOM 1211 CG TYR A 74 -7.818 -1.457 -4.892 1.00 0.00 C ATOM 1212 CD1 TYR A 74 -7.594 -0.891 -6.142 1.00 0.00 C ATOM 1213 CD2 TYR A 74 -8.022 -0.603 -3.821 1.00 0.00 C ATOM 1214 CE1 TYR A 74 -7.564 0.475 -6.312 1.00 0.00 C ATOM 1215 CE2 TYR A 74 -8.000 0.765 -3.983 1.00 0.00 C ATOM 1216 CZ TYR A 74 -7.769 1.301 -5.228 1.00 0.00 C ATOM 1217 OH TYR A 74 -7.714 2.668 -5.389 1.00 0.00 O ATOM 0 H TYR A 74 -6.786 -3.512 -6.916 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.734 -3.130 -4.248 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.538 -3.401 -5.408 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.226 -3.181 -3.698 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.441 -1.535 -6.995 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.202 -1.017 -2.840 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.381 0.897 -7.289 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.164 1.414 -3.135 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.490 2.968 -5.907 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.352 -5.265 -3.054 1.00 0.00 N ATOM 1228 CA GLY A 75 -6.416 -6.580 -2.456 1.00 0.00 C ATOM 1229 C GLY A 75 -6.397 -6.534 -0.950 1.00 0.00 C ATOM 1230 O GLY A 75 -5.983 -5.525 -0.367 1.00 0.00 O ATOM 0 H GLY A 75 -6.158 -4.509 -2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.324 -7.082 -2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.574 -7.176 -2.808 1.00 0.00 H new ATOM 1234 N TYR A 76 -6.874 -7.602 -0.317 1.00 0.00 N ATOM 1235 CA TYR A 76 -6.805 -7.722 1.121 1.00 0.00 C ATOM 1236 C TYR A 76 -5.389 -7.968 1.592 1.00 0.00 C ATOM 1237 O TYR A 76 -4.571 -8.566 0.893 1.00 0.00 O ATOM 1238 CB TYR A 76 -7.763 -8.773 1.681 1.00 0.00 C ATOM 1239 CG TYR A 76 -9.175 -8.268 1.911 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -9.390 -7.000 2.434 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -10.280 -9.053 1.637 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -10.657 -6.526 2.672 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -11.560 -8.587 1.878 1.00 0.00 C ATOM 1244 CZ TYR A 76 -11.738 -7.321 2.398 1.00 0.00 C ATOM 1245 OH TYR A 76 -13.004 -6.849 2.643 1.00 0.00 O ATOM 0 H TYR A 76 -7.312 -8.395 -0.786 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.133 -6.761 1.519 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.799 -9.618 0.994 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.364 -9.146 2.624 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.541 -6.372 2.659 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.142 -10.043 1.229 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.800 -5.533 3.072 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.415 -9.210 1.661 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.661 -7.532 2.395 1.00 0.00 H new ATOM 1255 N ILE A 77 -5.097 -7.475 2.742 1.00 0.00 N ATOM 1256 CA ILE A 77 -3.783 -7.535 3.286 1.00 0.00 C ATOM 1257 C ILE A 77 -3.819 -7.997 4.718 1.00 0.00 C ATOM 1258 O ILE A 77 -4.633 -7.511 5.504 1.00 0.00 O ATOM 1259 CB ILE A 77 -3.166 -6.118 3.308 1.00 0.00 C ATOM 1260 CG1 ILE A 77 -3.164 -5.487 1.938 1.00 0.00 C ATOM 1261 CG2 ILE A 77 -1.765 -6.188 3.818 1.00 0.00 C ATOM 1262 CD1 ILE A 77 -2.775 -4.052 1.942 1.00 0.00 C ATOM 0 H ILE A 77 -5.776 -7.009 3.345 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.205 -8.223 2.670 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.778 -5.501 3.965 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.478 -6.038 1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.158 -5.584 1.502 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.333 -5.188 3.832 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.766 -6.598 4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.172 -6.830 3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.796 -3.666 0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.474 -3.487 2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.769 -3.949 2.348 1.00 0.00 H new ATOM 1274 N LYS A 78 -2.961 -8.933 5.061 1.00 0.00 N ATOM 1275 CA LYS A 78 -2.739 -9.228 6.451 1.00 0.00 C ATOM 1276 C LYS A 78 -2.020 -8.026 7.010 1.00 0.00 C ATOM 1277 O LYS A 78 -1.064 -7.561 6.404 1.00 0.00 O ATOM 1278 CB LYS A 78 -1.820 -10.426 6.637 1.00 0.00 C ATOM 1279 CG LYS A 78 -2.335 -11.754 6.145 1.00 0.00 C ATOM 1280 CD LYS A 78 -1.281 -12.819 6.355 1.00 0.00 C ATOM 1281 CE LYS A 78 -1.793 -14.202 6.033 1.00 0.00 C ATOM 1282 NZ LYS A 78 -0.740 -15.225 6.215 1.00 0.00 N ATOM 0 H LYS A 78 -2.416 -9.492 4.405 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.690 -9.448 6.937 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.879 -10.216 6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.594 -10.520 7.699 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.247 -12.021 6.678 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.592 -11.686 5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.416 -12.599 5.729 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.941 -12.792 7.390 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.643 -14.435 6.674 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.153 -14.228 5.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.125 -16.164 5.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.060 -15.015 5.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.414 -15.216 7.203 1.00 0.00 H new ATOM 1296 N THR A 79 -2.408 -7.556 8.148 1.00 0.00 N ATOM 1297 CA THR A 79 -1.806 -6.352 8.717 1.00 0.00 C ATOM 1298 C THR A 79 -0.321 -6.572 9.093 1.00 0.00 C ATOM 1299 O THR A 79 0.399 -5.643 9.435 1.00 0.00 O ATOM 1300 CB THR A 79 -2.602 -5.890 9.945 1.00 0.00 C ATOM 1301 OG1 THR A 79 -2.579 -6.906 10.961 1.00 0.00 O ATOM 1302 CG2 THR A 79 -4.030 -5.660 9.549 1.00 0.00 C ATOM 0 H THR A 79 -3.141 -7.975 8.720 1.00 0.00 H new ATOM 0 HA THR A 79 -1.840 -5.575 7.953 1.00 0.00 H new ATOM 0 HB THR A 79 -2.154 -4.973 10.328 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.088 -6.601 11.741 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.600 -5.332 10.418 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.074 -4.894 8.775 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.455 -6.588 9.166 1.00 0.00 H new ATOM 1310 N THR A 80 0.099 -7.812 9.003 1.00 0.00 N ATOM 1311 CA THR A 80 1.429 -8.230 9.310 1.00 0.00 C ATOM 1312 C THR A 80 2.194 -8.542 8.001 1.00 0.00 C ATOM 1313 O THR A 80 3.404 -8.808 8.010 1.00 0.00 O ATOM 1314 CB THR A 80 1.343 -9.487 10.194 1.00 0.00 C ATOM 1315 OG1 THR A 80 2.636 -9.931 10.633 1.00 0.00 O ATOM 1316 CG2 THR A 80 0.624 -10.603 9.450 1.00 0.00 C ATOM 0 H THR A 80 -0.504 -8.578 8.703 1.00 0.00 H new ATOM 0 HA THR A 80 1.965 -7.442 9.838 1.00 0.00 H new ATOM 0 HB THR A 80 0.774 -9.221 11.085 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.306 -9.709 9.954 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.569 -11.487 10.085 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.384 -10.278 9.192 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.171 -10.844 8.539 1.00 0.00 H new ATOM 1324 N ALA A 81 1.477 -8.515 6.880 1.00 0.00 N ATOM 1325 CA ALA A 81 2.088 -8.771 5.567 1.00 0.00 C ATOM 1326 C ALA A 81 2.654 -7.485 5.032 1.00 0.00 C ATOM 1327 O ALA A 81 3.427 -7.474 4.086 1.00 0.00 O ATOM 1328 CB ALA A 81 1.082 -9.353 4.552 1.00 0.00 C ATOM 0 H ALA A 81 0.476 -8.320 6.848 1.00 0.00 H new ATOM 0 HA ALA A 81 2.874 -9.513 5.705 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.584 -9.524 3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.689 -10.297 4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.261 -8.650 4.409 1.00 0.00 H new ATOM 1334 N VAL A 82 2.258 -6.399 5.646 1.00 0.00 N ATOM 1335 CA VAL A 82 2.719 -5.099 5.226 1.00 0.00 C ATOM 1336 C VAL A 82 3.242 -4.329 6.363 1.00 0.00 C ATOM 1337 O VAL A 82 2.845 -4.533 7.516 1.00 0.00 O ATOM 1338 CB VAL A 82 1.646 -4.249 4.497 1.00 0.00 C ATOM 1339 CG1 VAL A 82 1.241 -4.931 3.246 1.00 0.00 C ATOM 1340 CG2 VAL A 82 0.421 -4.005 5.358 1.00 0.00 C ATOM 0 H VAL A 82 1.617 -6.389 6.439 1.00 0.00 H new ATOM 0 HA VAL A 82 3.512 -5.305 4.507 1.00 0.00 H new ATOM 0 HB VAL A 82 2.091 -3.279 4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.487 -4.334 2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.110 -5.051 2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.828 -5.911 3.483 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.300 -3.406 4.803 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.031 -4.960 5.627 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.713 -3.474 6.264 1.00 0.00 H new ATOM 1350 N GLU A 83 4.126 -3.461 6.047 1.00 0.00 N ATOM 1351 CA GLU A 83 4.673 -2.576 6.979 1.00 0.00 C ATOM 1352 C GLU A 83 3.860 -1.294 6.886 1.00 0.00 C ATOM 1353 O GLU A 83 3.973 -0.540 5.917 1.00 0.00 O ATOM 1354 CB GLU A 83 6.131 -2.309 6.628 1.00 0.00 C ATOM 1355 CG GLU A 83 6.971 -3.566 6.427 1.00 0.00 C ATOM 1356 CD GLU A 83 8.362 -3.249 5.950 1.00 0.00 C ATOM 1357 OE1 GLU A 83 8.508 -2.644 4.870 1.00 0.00 O ATOM 1358 OE2 GLU A 83 9.339 -3.548 6.656 1.00 0.00 O ATOM 0 H GLU A 83 4.495 -3.350 5.102 1.00 0.00 H new ATOM 0 HA GLU A 83 4.640 -2.982 7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.169 -1.712 5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.579 -1.710 7.421 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.027 -4.117 7.366 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.480 -4.217 5.704 1.00 0.00 H new ATOM 1365 N ILE A 84 2.964 -1.139 7.805 1.00 0.00 N ATOM 1366 CA ILE A 84 2.170 0.053 7.921 1.00 0.00 C ATOM 1367 C ILE A 84 2.933 0.955 8.840 1.00 0.00 C ATOM 1368 O ILE A 84 3.028 0.683 10.043 1.00 0.00 O ATOM 1369 CB ILE A 84 0.783 -0.256 8.543 1.00 0.00 C ATOM 1370 CG1 ILE A 84 -0.041 -1.174 7.653 1.00 0.00 C ATOM 1371 CG2 ILE A 84 0.005 1.023 8.864 1.00 0.00 C ATOM 1372 CD1 ILE A 84 -0.505 -0.526 6.395 1.00 0.00 C ATOM 0 H ILE A 84 2.755 -1.845 8.511 1.00 0.00 H new ATOM 0 HA ILE A 84 1.994 0.499 6.942 1.00 0.00 H new ATOM 0 HB ILE A 84 0.971 -0.777 9.482 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.554 -2.052 7.402 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.908 -1.526 8.212 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.960 0.762 9.298 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.572 1.625 9.575 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.151 1.594 7.948 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.086 -1.240 5.811 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.127 0.336 6.638 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.358 -0.199 5.815 1.00 0.00 H new ATOM 1384 N ASP A 85 3.534 1.967 8.302 1.00 0.00 N ATOM 1385 CA ASP A 85 4.374 2.808 9.104 1.00 0.00 C ATOM 1386 C ASP A 85 3.907 4.201 9.027 1.00 0.00 C ATOM 1387 O ASP A 85 3.606 4.715 7.944 1.00 0.00 O ATOM 1388 CB ASP A 85 5.828 2.790 8.643 1.00 0.00 C ATOM 1389 CG ASP A 85 6.444 1.407 8.535 1.00 0.00 C ATOM 1390 OD1 ASP A 85 7.012 0.902 9.545 1.00 0.00 O ATOM 1391 OD2 ASP A 85 6.405 0.807 7.448 1.00 0.00 O ATOM 0 H ASP A 85 3.463 2.233 7.320 1.00 0.00 H new ATOM 0 HA ASP A 85 4.318 2.420 10.121 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.892 3.278 7.670 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.422 3.384 9.338 1.00 0.00 H new