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 Set 1.1: A 32 LYS NZ :NH3+ 148:sc= 0.447 (180deg=-2.31!) USER MOD Set 1.2: A 51 GLN : amide:sc= 0.742 K(o=1.2,f=-12!) 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+ -173:sc= 1.2 (180deg=1.06) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HE2:sc= -0.674! C(o=-0.67!,f=-4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -170:sc=-0.00327 (180deg=-0.0968) USER MOD Single : A 42 ASN : amide:sc= -0.0459 K(o=-0.046,f=-2!) USER MOD Single : A 45 SER OG : rot 43:sc= 0.545 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= -0.0102 (180deg=-0.136) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.437 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0.776 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=0.000114 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N GLU A 14 -13.095 -5.322 -10.749 1.00 0.00 N ATOM 245 CA GLU A 14 -13.266 -6.370 -9.777 1.00 0.00 C ATOM 246 C GLU A 14 -13.320 -5.833 -8.382 1.00 0.00 C ATOM 247 O GLU A 14 -14.280 -6.063 -7.677 1.00 0.00 O ATOM 248 CB GLU A 14 -12.162 -7.424 -9.872 1.00 0.00 C ATOM 249 CG GLU A 14 -12.247 -8.333 -11.064 1.00 0.00 C ATOM 250 CD GLU A 14 -13.483 -9.166 -11.014 1.00 0.00 C ATOM 251 OE1 GLU A 14 -13.616 -10.000 -10.080 1.00 0.00 O ATOM 252 OE2 GLU A 14 -14.377 -8.968 -11.860 1.00 0.00 O ATOM 0 HA GLU A 14 -14.221 -6.842 -10.009 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.198 -6.916 -9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.184 -8.033 -8.968 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.240 -7.740 -11.979 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.370 -8.979 -11.096 1.00 0.00 H new ATOM 259 N ILE A 15 -12.318 -5.090 -8.009 1.00 0.00 N ATOM 260 CA ILE A 15 -12.139 -4.642 -6.638 1.00 0.00 C ATOM 261 C ILE A 15 -13.294 -3.785 -6.141 1.00 0.00 C ATOM 262 O ILE A 15 -13.651 -3.830 -4.965 1.00 0.00 O ATOM 263 CB ILE A 15 -10.763 -3.922 -6.443 1.00 0.00 C ATOM 264 CG1 ILE A 15 -10.695 -2.549 -7.124 1.00 0.00 C ATOM 265 CG2 ILE A 15 -9.644 -4.797 -6.965 1.00 0.00 C ATOM 266 CD1 ILE A 15 -11.121 -1.390 -6.258 1.00 0.00 C ATOM 0 H ILE A 15 -11.589 -4.769 -8.647 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.135 -5.540 -6.020 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.651 -3.754 -5.372 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.673 -2.376 -7.460 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.324 -2.569 -8.014 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.690 -4.289 -6.826 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.636 -5.741 -6.420 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.800 -4.992 -8.026 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.039 -0.463 -6.825 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.155 -1.532 -5.942 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.478 -1.336 -5.380 1.00 0.00 H new ATOM 278 N LYS A 16 -13.934 -3.082 -7.048 1.00 0.00 N ATOM 279 CA LYS A 16 -14.974 -2.156 -6.651 1.00 0.00 C ATOM 280 C LYS A 16 -16.264 -2.876 -6.404 1.00 0.00 C ATOM 281 O LYS A 16 -17.084 -2.442 -5.597 1.00 0.00 O ATOM 282 CB LYS A 16 -15.123 -0.999 -7.641 1.00 0.00 C ATOM 283 CG LYS A 16 -13.922 -0.070 -7.635 1.00 0.00 C ATOM 284 CD LYS A 16 -14.084 1.111 -8.576 1.00 0.00 C ATOM 285 CE LYS A 16 -12.806 1.947 -8.623 1.00 0.00 C ATOM 286 NZ LYS A 16 -12.942 3.147 -9.485 1.00 0.00 N ATOM 0 H LYS A 16 -13.758 -3.131 -8.051 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.674 -1.702 -5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.263 -1.400 -8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -16.020 -0.430 -7.397 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.759 0.299 -6.622 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -13.032 -0.633 -7.916 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.327 0.754 -9.577 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -14.918 1.731 -8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.542 2.258 -7.612 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.986 1.330 -8.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.048 3.679 -9.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.167 2.853 -10.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.706 3.751 -9.121 1.00 0.00 H new ATOM 300 N LYS A 17 -16.408 -4.002 -7.046 1.00 0.00 N ATOM 301 CA LYS A 17 -17.563 -4.833 -6.882 1.00 0.00 C ATOM 302 C LYS A 17 -17.311 -5.837 -5.751 1.00 0.00 C ATOM 303 O LYS A 17 -18.154 -6.047 -4.889 1.00 0.00 O ATOM 304 CB LYS A 17 -17.854 -5.578 -8.193 1.00 0.00 C ATOM 305 CG LYS A 17 -19.090 -6.462 -8.156 1.00 0.00 C ATOM 306 CD LYS A 17 -20.350 -5.646 -7.954 1.00 0.00 C ATOM 307 CE LYS A 17 -21.563 -6.536 -7.839 1.00 0.00 C ATOM 308 NZ LYS A 17 -22.816 -5.761 -7.731 1.00 0.00 N ATOM 0 H LYS A 17 -15.720 -4.370 -7.703 1.00 0.00 H new ATOM 0 HA LYS A 17 -18.425 -4.216 -6.628 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -17.970 -4.847 -8.993 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -16.990 -6.193 -8.446 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -19.165 -7.024 -9.087 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -18.994 -7.190 -7.351 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -20.254 -5.040 -7.053 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -20.479 -4.958 -8.789 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -21.616 -7.189 -8.710 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -21.459 -7.178 -6.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -23.622 -6.413 -7.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -22.778 -5.156 -6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -22.931 -5.167 -8.577 1.00 0.00 H new ATOM 322 N LYS A 18 -16.114 -6.394 -5.750 1.00 0.00 N ATOM 323 CA LYS A 18 -15.723 -7.453 -4.838 1.00 0.00 C ATOM 324 C LYS A 18 -15.596 -6.942 -3.419 1.00 0.00 C ATOM 325 O LYS A 18 -16.216 -7.470 -2.507 1.00 0.00 O ATOM 326 CB LYS A 18 -14.380 -8.049 -5.285 1.00 0.00 C ATOM 327 CG LYS A 18 -14.044 -9.405 -4.669 1.00 0.00 C ATOM 328 CD LYS A 18 -12.677 -9.932 -5.120 1.00 0.00 C ATOM 329 CE LYS A 18 -12.457 -9.819 -6.631 1.00 0.00 C ATOM 330 NZ LYS A 18 -13.515 -10.510 -7.433 1.00 0.00 N ATOM 0 H LYS A 18 -15.373 -6.118 -6.394 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.499 -8.218 -4.858 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.387 -8.151 -6.370 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.586 -7.346 -5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -14.057 -9.320 -3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.815 -10.125 -4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.893 -9.379 -4.603 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.581 -10.976 -4.822 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.428 -8.766 -6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.485 -10.242 -6.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.250 -10.501 -8.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.609 -11.494 -7.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.422 -10.016 -7.310 1.00 0.00 H new ATOM 344 N PHE A 19 -14.830 -5.891 -3.235 1.00 0.00 N ATOM 345 CA PHE A 19 -14.544 -5.398 -1.898 1.00 0.00 C ATOM 346 C PHE A 19 -15.509 -4.296 -1.558 1.00 0.00 C ATOM 347 O PHE A 19 -15.492 -3.765 -0.450 1.00 0.00 O ATOM 348 CB PHE A 19 -13.103 -4.866 -1.834 1.00 0.00 C ATOM 349 CG PHE A 19 -12.082 -5.824 -2.393 1.00 0.00 C ATOM 350 CD1 PHE A 19 -12.075 -7.155 -2.024 1.00 0.00 C ATOM 351 CD2 PHE A 19 -11.164 -5.401 -3.332 1.00 0.00 C ATOM 352 CE1 PHE A 19 -11.174 -8.038 -2.573 1.00 0.00 C ATOM 353 CE2 PHE A 19 -10.270 -6.288 -3.895 1.00 0.00 C ATOM 354 CZ PHE A 19 -10.280 -7.606 -3.509 1.00 0.00 C ATOM 0 H PHE A 19 -14.393 -5.360 -3.988 1.00 0.00 H new ATOM 0 HA PHE A 19 -14.653 -6.212 -1.181 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -13.047 -3.926 -2.383 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.852 -4.644 -0.797 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -12.788 -7.508 -1.293 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.145 -4.363 -3.630 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.174 -9.073 -2.263 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.564 -5.947 -4.638 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.579 -8.301 -3.947 1.00 0.00 H new ATOM 364 N LYS A 20 -16.383 -4.008 -2.521 1.00 0.00 N ATOM 365 CA LYS A 20 -17.317 -2.907 -2.466 1.00 0.00 C ATOM 366 C LYS A 20 -16.579 -1.619 -2.198 1.00 0.00 C ATOM 367 O LYS A 20 -16.582 -1.074 -1.087 1.00 0.00 O ATOM 368 CB LYS A 20 -18.481 -3.130 -1.500 1.00 0.00 C ATOM 369 CG LYS A 20 -19.343 -4.332 -1.858 1.00 0.00 C ATOM 370 CD LYS A 20 -20.601 -4.398 -1.009 1.00 0.00 C ATOM 371 CE LYS A 20 -21.484 -3.179 -1.248 1.00 0.00 C ATOM 372 NZ LYS A 20 -22.734 -3.231 -0.470 1.00 0.00 N ATOM 0 H LYS A 20 -16.455 -4.554 -3.380 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.792 -2.838 -3.445 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -18.087 -3.262 -0.492 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -19.105 -2.237 -1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -19.618 -4.281 -2.912 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.765 -5.246 -1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -21.156 -5.306 -1.245 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -20.330 -4.455 0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -20.932 -2.277 -0.985 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -21.722 -3.109 -2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -23.300 -2.381 -0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -23.275 -4.077 -0.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -22.510 -3.271 0.545 1.00 0.00 H new ATOM 386 N LEU A 21 -15.903 -1.177 -3.216 1.00 0.00 N ATOM 387 CA LEU A 21 -15.053 -0.032 -3.123 1.00 0.00 C ATOM 388 C LEU A 21 -15.405 0.979 -4.208 1.00 0.00 C ATOM 389 O LEU A 21 -14.609 1.873 -4.517 1.00 0.00 O ATOM 390 CB LEU A 21 -13.616 -0.477 -3.337 1.00 0.00 C ATOM 391 CG LEU A 21 -12.579 0.235 -2.495 1.00 0.00 C ATOM 392 CD1 LEU A 21 -12.693 -0.192 -1.040 1.00 0.00 C ATOM 393 CD2 LEU A 21 -11.194 -0.011 -3.032 1.00 0.00 C ATOM 0 H LEU A 21 -15.927 -1.606 -4.141 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.181 0.428 -2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.551 -1.546 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.364 -0.336 -4.388 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.766 1.308 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.941 0.329 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.686 0.056 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.535 -1.268 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.465 0.510 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.983 -1.080 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.130 0.359 -4.055 1.00 0.00 H new ATOM 405 N THR A 22 -16.572 0.849 -4.811 1.00 0.00 N ATOM 406 CA THR A 22 -16.916 1.753 -5.875 1.00 0.00 C ATOM 407 C THR A 22 -17.346 3.108 -5.307 1.00 0.00 C ATOM 408 O THR A 22 -18.214 3.197 -4.413 1.00 0.00 O ATOM 409 CB THR A 22 -17.956 1.162 -6.897 1.00 0.00 C ATOM 410 OG1 THR A 22 -18.178 2.077 -7.980 1.00 0.00 O ATOM 411 CG2 THR A 22 -19.285 0.825 -6.253 1.00 0.00 C ATOM 0 H THR A 22 -17.275 0.145 -4.586 1.00 0.00 H new ATOM 0 HA THR A 22 -16.014 1.906 -6.467 1.00 0.00 H new ATOM 0 HB THR A 22 -17.521 0.235 -7.272 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.826 1.692 -8.606 1.00 0.00 H new ATOM 0 HG21 THR A 22 -19.962 0.421 -7.006 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.132 0.084 -5.468 1.00 0.00 H new ATOM 0 HG23 THR A 22 -19.719 1.727 -5.821 1.00 0.00 H new ATOM 419 N GLY A 23 -16.703 4.144 -5.780 1.00 0.00 N ATOM 420 CA GLY A 23 -16.972 5.471 -5.318 1.00 0.00 C ATOM 421 C GLY A 23 -15.728 6.095 -4.734 1.00 0.00 C ATOM 422 O GLY A 23 -14.608 5.696 -5.094 1.00 0.00 O ATOM 0 H GLY A 23 -15.979 4.086 -6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -17.338 6.082 -6.143 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.760 5.447 -4.566 1.00 0.00 H new ATOM 426 N PRO A 24 -15.874 7.072 -3.845 1.00 0.00 N ATOM 427 CA PRO A 24 -14.746 7.734 -3.180 1.00 0.00 C ATOM 428 C PRO A 24 -14.071 6.782 -2.201 1.00 0.00 C ATOM 429 O PRO A 24 -14.756 6.038 -1.479 1.00 0.00 O ATOM 430 CB PRO A 24 -15.415 8.888 -2.415 1.00 0.00 C ATOM 431 CG PRO A 24 -16.767 9.009 -3.006 1.00 0.00 C ATOM 432 CD PRO A 24 -17.152 7.634 -3.407 1.00 0.00 C ATOM 0 HA PRO A 24 -13.975 8.064 -3.876 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -15.469 8.674 -1.347 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.851 9.814 -2.527 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.474 9.420 -2.285 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -16.761 9.680 -3.865 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.581 7.073 -2.577 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -17.892 7.635 -4.207 1.00 0.00 H new ATOM 440 N ILE A 25 -12.759 6.768 -2.182 1.00 0.00 N ATOM 441 CA ILE A 25 -12.045 5.873 -1.299 1.00 0.00 C ATOM 442 C ILE A 25 -11.018 6.599 -0.430 1.00 0.00 C ATOM 443 O ILE A 25 -11.219 6.746 0.781 1.00 0.00 O ATOM 444 CB ILE A 25 -11.393 4.664 -2.046 1.00 0.00 C ATOM 445 CG1 ILE A 25 -10.553 5.118 -3.251 1.00 0.00 C ATOM 446 CG2 ILE A 25 -12.459 3.677 -2.480 1.00 0.00 C ATOM 447 CD1 ILE A 25 -9.617 4.066 -3.769 1.00 0.00 C ATOM 0 H ILE A 25 -12.167 7.361 -2.763 1.00 0.00 H new ATOM 0 HA ILE A 25 -12.805 5.463 -0.634 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.716 4.172 -1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.223 5.422 -4.055 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.975 5.998 -2.968 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.991 2.840 -2.999 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.992 3.308 -1.604 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -13.162 4.172 -3.150 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.060 4.461 -4.618 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.921 3.778 -2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.189 3.194 -4.085 1.00 0.00 H new ATOM 459 N GLN A 26 -9.952 7.057 -1.067 1.00 0.00 N ATOM 460 CA GLN A 26 -8.829 7.777 -0.464 1.00 0.00 C ATOM 461 C GLN A 26 -7.961 6.917 0.407 1.00 0.00 C ATOM 462 O GLN A 26 -8.424 6.179 1.283 1.00 0.00 O ATOM 463 CB GLN A 26 -9.232 9.069 0.237 1.00 0.00 C ATOM 464 CG GLN A 26 -10.098 9.977 -0.605 1.00 0.00 C ATOM 465 CD GLN A 26 -10.226 11.356 -0.004 1.00 0.00 C ATOM 466 OE1 GLN A 26 -11.129 11.626 0.786 1.00 0.00 O ATOM 467 NE2 GLN A 26 -9.339 12.236 -0.378 1.00 0.00 N ATOM 0 H GLN A 26 -9.836 6.932 -2.073 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.215 8.071 -1.315 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.766 8.822 1.155 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.331 9.609 0.528 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.674 10.056 -1.606 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.089 9.535 -0.713 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.605 11.973 -1.036 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.379 13.188 -0.013 1.00 0.00 H new ATOM 476 N VAL A 27 -6.703 7.042 0.152 1.00 0.00 N ATOM 477 CA VAL A 27 -5.672 6.313 0.810 1.00 0.00 C ATOM 478 C VAL A 27 -5.434 6.894 2.208 1.00 0.00 C ATOM 479 O VAL A 27 -5.411 8.116 2.380 1.00 0.00 O ATOM 480 CB VAL A 27 -4.381 6.393 -0.035 1.00 0.00 C ATOM 481 CG1 VAL A 27 -3.241 5.745 0.663 1.00 0.00 C ATOM 482 CG2 VAL A 27 -4.591 5.742 -1.389 1.00 0.00 C ATOM 0 H VAL A 27 -6.348 7.686 -0.555 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.967 5.269 0.917 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.144 7.447 -0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.347 5.817 0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.065 6.246 1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.474 4.695 0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.672 5.808 -1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.859 4.695 -1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.393 6.255 -1.919 1.00 0.00 H new ATOM 492 N ILE A 28 -5.292 6.034 3.201 1.00 0.00 N ATOM 493 CA ILE A 28 -5.093 6.505 4.570 1.00 0.00 C ATOM 494 C ILE A 28 -3.601 6.457 4.989 1.00 0.00 C ATOM 495 O ILE A 28 -3.092 7.403 5.596 1.00 0.00 O ATOM 496 CB ILE A 28 -5.980 5.719 5.587 1.00 0.00 C ATOM 497 CG1 ILE A 28 -7.465 5.809 5.187 1.00 0.00 C ATOM 498 CG2 ILE A 28 -5.798 6.257 7.006 1.00 0.00 C ATOM 499 CD1 ILE A 28 -8.037 7.217 5.162 1.00 0.00 C ATOM 0 H ILE A 28 -5.309 5.020 3.094 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.407 7.548 4.589 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.664 4.676 5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.588 5.365 4.199 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.051 5.207 5.882 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.427 5.691 7.693 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.754 6.155 7.303 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.083 7.309 7.036 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.086 7.178 4.870 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.953 7.662 6.154 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.483 7.822 4.445 1.00 0.00 H new ATOM 511 N HIS A 29 -2.911 5.372 4.660 1.00 0.00 N ATOM 512 CA HIS A 29 -1.475 5.206 5.011 1.00 0.00 C ATOM 513 C HIS A 29 -0.761 4.557 3.847 1.00 0.00 C ATOM 514 O HIS A 29 -1.403 4.111 2.888 1.00 0.00 O ATOM 515 CB HIS A 29 -1.254 4.273 6.233 1.00 0.00 C ATOM 516 CG HIS A 29 -1.761 4.719 7.558 1.00 0.00 C ATOM 517 ND1 HIS A 29 -0.952 5.224 8.526 1.00 0.00 N ATOM 518 CD2 HIS A 29 -2.983 4.653 8.099 1.00 0.00 C ATOM 519 CE1 HIS A 29 -1.639 5.454 9.600 1.00 0.00 C ATOM 520 NE2 HIS A 29 -2.884 5.121 9.377 1.00 0.00 N ATOM 0 H HIS A 29 -3.309 4.583 4.150 1.00 0.00 H new ATOM 0 HA HIS A 29 -1.095 6.200 5.248 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -1.716 3.312 6.006 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.182 4.097 6.328 1.00 0.00 H new ATOM 0 HD1 HIS A 29 0.048 5.396 8.422 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.880 4.296 7.615 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.249 5.854 10.524 1.00 0.00 H new ATOM 529 N LEU A 30 0.534 4.453 3.946 1.00 0.00 N ATOM 530 CA LEU A 30 1.323 3.779 2.953 1.00 0.00 C ATOM 531 C LEU A 30 1.830 2.477 3.532 1.00 0.00 C ATOM 532 O LEU A 30 2.439 2.453 4.612 1.00 0.00 O ATOM 533 CB LEU A 30 2.515 4.632 2.453 1.00 0.00 C ATOM 534 CG LEU A 30 2.211 5.874 1.583 1.00 0.00 C ATOM 535 CD1 LEU A 30 1.491 6.968 2.359 1.00 0.00 C ATOM 536 CD2 LEU A 30 3.493 6.409 0.970 1.00 0.00 C ATOM 0 H LEU A 30 1.075 4.835 4.722 1.00 0.00 H new ATOM 0 HA LEU A 30 0.684 3.596 2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.075 4.966 3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.175 3.979 1.882 1.00 0.00 H new ATOM 0 HG LEU A 30 1.536 5.556 0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.302 7.816 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.544 6.583 2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.111 7.289 3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.267 7.283 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.186 6.689 1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.947 5.639 0.347 1.00 0.00 H new ATOM 548 N ALA A 31 1.549 1.406 2.862 1.00 0.00 N ATOM 549 CA ALA A 31 2.016 0.112 3.274 1.00 0.00 C ATOM 550 C ALA A 31 3.181 -0.337 2.392 1.00 0.00 C ATOM 551 O ALA A 31 3.561 0.336 1.441 1.00 0.00 O ATOM 552 CB ALA A 31 0.868 -0.877 3.234 1.00 0.00 C ATOM 0 H ALA A 31 0.988 1.399 2.010 1.00 0.00 H new ATOM 0 HA ALA A 31 2.385 0.164 4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.223 -1.859 3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.078 -0.545 3.908 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.476 -0.939 2.219 1.00 0.00 H new ATOM 558 N LYS A 32 3.774 -1.402 2.755 1.00 0.00 N ATOM 559 CA LYS A 32 4.834 -2.014 2.052 1.00 0.00 C ATOM 560 C LYS A 32 4.712 -3.435 2.401 1.00 0.00 C ATOM 561 O LYS A 32 4.902 -3.811 3.561 1.00 0.00 O ATOM 562 CB LYS A 32 6.230 -1.466 2.419 1.00 0.00 C ATOM 563 CG LYS A 32 7.372 -2.232 1.754 1.00 0.00 C ATOM 564 CD LYS A 32 8.768 -1.711 2.123 1.00 0.00 C ATOM 565 CE LYS A 32 9.183 -0.426 1.388 1.00 0.00 C ATOM 566 NZ LYS A 32 8.385 0.764 1.745 1.00 0.00 N ATOM 0 H LYS A 32 3.519 -1.905 3.605 1.00 0.00 H new ATOM 0 HA LYS A 32 4.757 -1.817 0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.289 -0.417 2.130 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.356 -1.506 3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.302 -3.283 2.033 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.250 -2.180 0.672 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.801 -1.527 3.197 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.501 -2.489 1.910 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.232 -0.222 1.601 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.103 -0.594 0.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.982 1.613 1.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.584 0.855 1.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.026 0.663 2.716 1.00 0.00 H new ATOM 580 N ALA A 33 4.265 -4.178 1.486 1.00 0.00 N ATOM 581 CA ALA A 33 4.070 -5.574 1.688 1.00 0.00 C ATOM 582 C ALA A 33 5.405 -6.267 1.888 1.00 0.00 C ATOM 583 O ALA A 33 6.289 -6.176 1.051 1.00 0.00 O ATOM 584 CB ALA A 33 3.248 -6.151 0.547 1.00 0.00 C ATOM 0 H ALA A 33 4.015 -3.847 0.554 1.00 0.00 H new ATOM 0 HA ALA A 33 3.499 -5.747 2.600 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.102 -7.219 0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.279 -5.654 0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.773 -5.994 -0.395 1.00 0.00 H new ATOM 590 N CYS A 34 5.567 -6.897 3.012 1.00 0.00 N ATOM 591 CA CYS A 34 6.804 -7.563 3.331 1.00 0.00 C ATOM 592 C CYS A 34 6.734 -8.961 2.937 1.00 0.00 C ATOM 593 O CYS A 34 5.640 -9.528 2.822 1.00 0.00 O ATOM 594 CB CYS A 34 7.108 -7.584 4.851 1.00 0.00 C ATOM 595 SG CYS A 34 8.659 -8.555 5.298 1.00 0.00 S ATOM 0 H CYS A 34 4.851 -6.967 3.735 1.00 0.00 H new ATOM 0 HA CYS A 34 7.576 -7.006 2.801 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.217 -6.559 5.205 1.00 0.00 H new ATOM 0 HB3 CYS A 34 6.256 -8.014 5.377 1.00 0.00 H new ATOM 600 N CYS A 35 7.903 -9.508 2.716 1.00 0.00 N ATOM 601 CA CYS A 35 8.114 -10.906 2.664 1.00 0.00 C ATOM 602 C CYS A 35 7.320 -11.545 1.508 1.00 0.00 C ATOM 603 O CYS A 35 6.771 -10.850 0.646 1.00 0.00 O ATOM 604 CB CYS A 35 7.619 -11.465 4.032 1.00 0.00 C ATOM 605 SG CYS A 35 8.136 -10.563 5.631 1.00 0.00 S ATOM 0 H CYS A 35 8.751 -8.963 2.564 1.00 0.00 H new ATOM 0 HA CYS A 35 9.165 -11.136 2.488 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.530 -11.490 4.004 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.960 -12.497 4.110 1.00 0.00 H new ATOM 610 N ASP A 36 7.339 -12.833 1.430 1.00 0.00 N ATOM 611 CA ASP A 36 6.397 -13.508 0.573 1.00 0.00 C ATOM 612 C ASP A 36 5.190 -13.814 1.428 1.00 0.00 C ATOM 613 O ASP A 36 5.297 -14.470 2.468 1.00 0.00 O ATOM 614 CB ASP A 36 6.959 -14.773 -0.127 1.00 0.00 C ATOM 615 CG ASP A 36 7.248 -15.949 0.780 1.00 0.00 C ATOM 616 OD1 ASP A 36 8.362 -16.032 1.332 1.00 0.00 O ATOM 617 OD2 ASP A 36 6.376 -16.847 0.921 1.00 0.00 O ATOM 0 H ASP A 36 7.982 -13.441 1.937 1.00 0.00 H new ATOM 0 HA ASP A 36 6.141 -12.859 -0.264 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.247 -15.091 -0.889 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.879 -14.501 -0.644 1.00 0.00 H new ATOM 622 N VAL A 37 4.085 -13.263 1.056 1.00 0.00 N ATOM 623 CA VAL A 37 2.864 -13.369 1.826 1.00 0.00 C ATOM 624 C VAL A 37 1.977 -14.453 1.305 1.00 0.00 C ATOM 625 O VAL A 37 2.131 -14.893 0.145 1.00 0.00 O ATOM 626 CB VAL A 37 2.061 -12.068 1.879 1.00 0.00 C ATOM 627 CG1 VAL A 37 2.890 -10.937 2.429 1.00 0.00 C ATOM 628 CG2 VAL A 37 1.498 -11.731 0.529 1.00 0.00 C ATOM 0 H VAL A 37 3.989 -12.717 0.200 1.00 0.00 H new ATOM 0 HA VAL A 37 3.193 -13.606 2.838 1.00 0.00 H new ATOM 0 HB VAL A 37 1.223 -12.217 2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.292 -10.026 2.454 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.218 -11.184 3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.761 -10.781 1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.931 -10.802 0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.313 -11.611 -0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.841 -12.535 0.198 1.00 0.00 H new ATOM 638 N LYS A 38 1.108 -14.942 2.179 1.00 0.00 N ATOM 639 CA LYS A 38 0.101 -15.930 1.819 1.00 0.00 C ATOM 640 C LYS A 38 -0.653 -15.434 0.604 1.00 0.00 C ATOM 641 O LYS A 38 -0.812 -16.170 -0.375 1.00 0.00 O ATOM 642 CB LYS A 38 -0.870 -16.163 2.979 1.00 0.00 C ATOM 643 CG LYS A 38 -0.183 -16.444 4.301 1.00 0.00 C ATOM 644 CD LYS A 38 0.751 -17.655 4.225 1.00 0.00 C ATOM 645 CE LYS A 38 -0.002 -18.949 3.941 1.00 0.00 C ATOM 646 NZ LYS A 38 0.921 -20.068 3.666 1.00 0.00 N ATOM 0 H LYS A 38 1.082 -14.664 3.160 1.00 0.00 H new ATOM 0 HA LYS A 38 0.590 -16.878 1.594 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.507 -15.286 3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.522 -17.001 2.733 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.388 -15.566 4.605 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.936 -16.617 5.070 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.493 -17.490 3.444 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.294 -17.752 5.165 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.632 -19.198 4.795 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.664 -18.805 3.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.373 -20.932 3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.505 -19.840 2.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.536 -20.221 4.491 1.00 0.00 H new ATOM 660 N GLY A 39 -1.075 -14.167 0.667 1.00 0.00 N ATOM 661 CA GLY A 39 -1.673 -13.528 -0.474 1.00 0.00 C ATOM 662 C GLY A 39 -2.892 -14.239 -0.984 1.00 0.00 C ATOM 663 O GLY A 39 -3.007 -14.471 -2.194 1.00 0.00 O ATOM 0 H GLY A 39 -1.007 -13.580 1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.942 -12.506 -0.209 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.936 -13.466 -1.275 1.00 0.00 H new ATOM 667 N GLY A 40 -3.737 -14.658 -0.065 1.00 0.00 N ATOM 668 CA GLY A 40 -4.918 -15.455 -0.371 1.00 0.00 C ATOM 669 C GLY A 40 -5.849 -14.870 -1.436 1.00 0.00 C ATOM 670 O GLY A 40 -5.639 -13.764 -1.946 1.00 0.00 O ATOM 0 H GLY A 40 -3.626 -14.455 0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.594 -16.442 -0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.488 -15.596 0.547 1.00 0.00 H new ATOM 674 N LYS A 41 -6.897 -15.614 -1.724 1.00 0.00 N ATOM 675 CA LYS A 41 -7.878 -15.308 -2.763 1.00 0.00 C ATOM 676 C LYS A 41 -8.412 -13.860 -2.692 1.00 0.00 C ATOM 677 O LYS A 41 -8.496 -13.172 -3.720 1.00 0.00 O ATOM 678 CB LYS A 41 -9.020 -16.335 -2.686 1.00 0.00 C ATOM 679 CG LYS A 41 -10.112 -16.164 -3.719 1.00 0.00 C ATOM 680 CD LYS A 41 -11.097 -17.320 -3.671 1.00 0.00 C ATOM 681 CE LYS A 41 -12.218 -17.138 -4.679 1.00 0.00 C ATOM 682 NZ LYS A 41 -13.105 -16.008 -4.334 1.00 0.00 N ATOM 0 H LYS A 41 -7.103 -16.481 -1.227 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.379 -15.380 -3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.596 -17.334 -2.791 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.469 -16.281 -1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.639 -15.226 -3.544 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.670 -16.100 -4.713 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.573 -18.254 -3.873 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.517 -17.400 -2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.791 -16.973 -5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.806 -18.054 -4.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.945 -16.026 -4.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.401 -16.090 -3.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.595 -15.112 -4.471 1.00 0.00 H new ATOM 696 N ASN A 42 -8.722 -13.383 -1.507 1.00 0.00 N ATOM 697 CA ASN A 42 -9.246 -12.020 -1.369 1.00 0.00 C ATOM 698 C ASN A 42 -8.136 -11.021 -1.067 1.00 0.00 C ATOM 699 O ASN A 42 -8.373 -9.815 -0.987 1.00 0.00 O ATOM 700 CB ASN A 42 -10.353 -11.928 -0.301 1.00 0.00 C ATOM 701 CG ASN A 42 -9.874 -12.125 1.143 1.00 0.00 C ATOM 702 OD1 ASN A 42 -8.881 -12.817 1.424 1.00 0.00 O ATOM 703 ND2 ASN A 42 -10.585 -11.536 2.066 1.00 0.00 N ATOM 0 H ASN A 42 -8.627 -13.899 -0.632 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.689 -11.762 -2.331 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.833 -10.953 -0.379 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.114 -12.677 -0.522 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.330 -11.638 3.048 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.395 -10.974 1.805 1.00 0.00 H new ATOM 710 N GLU A 43 -6.924 -11.512 -0.946 1.00 0.00 N ATOM 711 CA GLU A 43 -5.798 -10.672 -0.626 1.00 0.00 C ATOM 712 C GLU A 43 -5.115 -10.185 -1.879 1.00 0.00 C ATOM 713 O GLU A 43 -5.363 -10.690 -2.981 1.00 0.00 O ATOM 714 CB GLU A 43 -4.789 -11.374 0.282 1.00 0.00 C ATOM 715 CG GLU A 43 -5.271 -11.617 1.694 1.00 0.00 C ATOM 716 CD GLU A 43 -4.216 -12.277 2.539 1.00 0.00 C ATOM 717 OE1 GLU A 43 -4.133 -13.526 2.524 1.00 0.00 O ATOM 718 OE2 GLU A 43 -3.448 -11.574 3.225 1.00 0.00 O ATOM 0 H GLU A 43 -6.694 -12.498 -1.066 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.193 -9.815 -0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.522 -12.331 -0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.879 -10.776 0.321 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.559 -10.669 2.148 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.163 -12.244 1.671 1.00 0.00 H new ATOM 725 N LEU A 44 -4.261 -9.223 -1.709 1.00 0.00 N ATOM 726 CA LEU A 44 -3.576 -8.609 -2.802 1.00 0.00 C ATOM 727 C LEU A 44 -2.424 -9.469 -3.238 1.00 0.00 C ATOM 728 O LEU A 44 -1.713 -10.068 -2.420 1.00 0.00 O ATOM 729 CB LEU A 44 -3.032 -7.259 -2.382 1.00 0.00 C ATOM 730 CG LEU A 44 -3.135 -6.099 -3.375 1.00 0.00 C ATOM 731 CD1 LEU A 44 -2.643 -4.833 -2.716 1.00 0.00 C ATOM 732 CD2 LEU A 44 -2.346 -6.367 -4.639 1.00 0.00 C ATOM 0 H LEU A 44 -4.018 -8.838 -0.796 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.282 -8.488 -3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.546 -6.962 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.980 -7.388 -2.128 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.181 -5.989 -3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.715 -4.004 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.254 -4.618 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.604 -4.961 -2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.446 -5.519 -5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.295 -6.509 -4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.729 -7.266 -5.123 1.00 0.00 H new ATOM 744 N SER A 45 -2.236 -9.504 -4.496 1.00 0.00 N ATOM 745 CA SER A 45 -1.143 -10.188 -5.081 1.00 0.00 C ATOM 746 C SER A 45 0.051 -9.223 -5.132 1.00 0.00 C ATOM 747 O SER A 45 0.229 -8.477 -6.108 1.00 0.00 O ATOM 748 CB SER A 45 -1.533 -10.688 -6.474 1.00 0.00 C ATOM 749 OG SER A 45 -2.006 -9.601 -7.282 1.00 0.00 O ATOM 0 H SER A 45 -2.850 -9.048 -5.171 1.00 0.00 H new ATOM 0 HA SER A 45 -0.865 -11.061 -4.491 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.674 -11.158 -6.952 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.307 -11.451 -6.390 1.00 0.00 H new ATOM 0 HG SER A 45 -1.423 -8.823 -7.157 1.00 0.00 H new ATOM 755 N PHE A 46 0.769 -9.155 -4.046 1.00 0.00 N ATOM 756 CA PHE A 46 1.928 -8.299 -3.931 1.00 0.00 C ATOM 757 C PHE A 46 3.152 -9.074 -3.517 1.00 0.00 C ATOM 758 O PHE A 46 3.080 -10.281 -3.255 1.00 0.00 O ATOM 759 CB PHE A 46 1.673 -7.089 -3.007 1.00 0.00 C ATOM 760 CG PHE A 46 0.971 -7.387 -1.697 1.00 0.00 C ATOM 761 CD1 PHE A 46 1.296 -8.481 -0.930 1.00 0.00 C ATOM 762 CD2 PHE A 46 -0.007 -6.546 -1.236 1.00 0.00 C ATOM 763 CE1 PHE A 46 0.653 -8.723 0.258 1.00 0.00 C ATOM 764 CE2 PHE A 46 -0.653 -6.795 -0.039 1.00 0.00 C ATOM 765 CZ PHE A 46 -0.318 -7.891 0.702 1.00 0.00 C ATOM 0 H PHE A 46 0.568 -9.696 -3.205 1.00 0.00 H new ATOM 0 HA PHE A 46 2.122 -7.895 -4.925 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.631 -6.620 -2.784 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.080 -6.357 -3.556 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.067 -9.158 -1.267 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.277 -5.676 -1.816 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.925 -9.587 0.846 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.423 -6.122 0.309 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.823 -8.093 1.635 1.00 0.00 H new ATOM 775 N LYS A 47 4.250 -8.390 -3.452 1.00 0.00 N ATOM 776 CA LYS A 47 5.531 -8.975 -3.187 1.00 0.00 C ATOM 777 C LYS A 47 6.230 -8.248 -2.051 1.00 0.00 C ATOM 778 O LYS A 47 5.658 -7.364 -1.419 1.00 0.00 O ATOM 779 CB LYS A 47 6.390 -8.941 -4.447 1.00 0.00 C ATOM 780 CG LYS A 47 5.806 -9.711 -5.599 1.00 0.00 C ATOM 781 CD LYS A 47 6.681 -9.613 -6.835 1.00 0.00 C ATOM 782 CE LYS A 47 8.038 -10.279 -6.629 1.00 0.00 C ATOM 783 NZ LYS A 47 8.904 -10.158 -7.819 1.00 0.00 N ATOM 0 H LYS A 47 4.284 -7.379 -3.585 1.00 0.00 H new ATOM 0 HA LYS A 47 5.383 -10.012 -2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.533 -7.904 -4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.376 -9.344 -4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.689 -10.757 -5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.811 -9.329 -5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.172 -10.081 -7.678 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.827 -8.564 -7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.536 -9.827 -5.771 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.892 -11.333 -6.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.815 -10.624 -7.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.441 -10.612 -8.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.066 -9.153 -8.030 1.00 0.00 H new ATOM 797 N GLN A 48 7.446 -8.612 -1.840 1.00 0.00 N ATOM 798 CA GLN A 48 8.274 -8.144 -0.761 1.00 0.00 C ATOM 799 C GLN A 48 8.902 -6.821 -1.130 1.00 0.00 C ATOM 800 O GLN A 48 9.759 -6.737 -2.024 1.00 0.00 O ATOM 801 CB GLN A 48 9.351 -9.191 -0.404 1.00 0.00 C ATOM 802 CG GLN A 48 10.389 -8.692 0.587 1.00 0.00 C ATOM 803 CD GLN A 48 11.371 -9.753 1.011 1.00 0.00 C ATOM 804 OE1 GLN A 48 11.687 -10.669 0.257 1.00 0.00 O ATOM 805 NE2 GLN A 48 11.855 -9.643 2.218 1.00 0.00 N ATOM 0 H GLN A 48 7.925 -9.281 -2.443 1.00 0.00 H new ATOM 0 HA GLN A 48 7.652 -7.996 0.122 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.863 -10.074 0.009 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.856 -9.504 -1.318 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.934 -7.860 0.142 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.881 -8.304 1.470 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.567 -8.867 2.814 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.521 -10.333 2.565 1.00 0.00 H new ATOM 814 N GLY A 49 8.453 -5.809 -0.472 1.00 0.00 N ATOM 815 CA GLY A 49 8.909 -4.482 -0.718 1.00 0.00 C ATOM 816 C GLY A 49 8.032 -3.822 -1.730 1.00 0.00 C ATOM 817 O GLY A 49 8.419 -2.840 -2.353 1.00 0.00 O ATOM 0 H GLY A 49 7.749 -5.879 0.263 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.904 -3.909 0.209 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.939 -4.502 -1.075 1.00 0.00 H new ATOM 821 N GLU A 50 6.856 -4.392 -1.928 1.00 0.00 N ATOM 822 CA GLU A 50 5.887 -3.831 -2.825 1.00 0.00 C ATOM 823 C GLU A 50 5.207 -2.645 -2.208 1.00 0.00 C ATOM 824 O GLU A 50 4.693 -2.703 -1.073 1.00 0.00 O ATOM 825 CB GLU A 50 4.872 -4.861 -3.306 1.00 0.00 C ATOM 826 CG GLU A 50 5.292 -5.609 -4.561 1.00 0.00 C ATOM 827 CD GLU A 50 5.477 -4.710 -5.763 1.00 0.00 C ATOM 828 OE1 GLU A 50 4.486 -4.167 -6.282 1.00 0.00 O ATOM 829 OE2 GLU A 50 6.617 -4.566 -6.241 1.00 0.00 O ATOM 0 H GLU A 50 6.556 -5.252 -1.469 1.00 0.00 H new ATOM 0 HA GLU A 50 6.430 -3.493 -3.707 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.697 -5.582 -2.508 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.923 -4.359 -3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.225 -6.137 -4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.541 -6.364 -4.793 1.00 0.00 H new ATOM 836 N GLN A 51 5.180 -1.609 -2.963 1.00 0.00 N ATOM 837 CA GLN A 51 4.655 -0.367 -2.581 1.00 0.00 C ATOM 838 C GLN A 51 3.224 -0.362 -2.864 1.00 0.00 C ATOM 839 O GLN A 51 2.770 -0.227 -4.002 1.00 0.00 O ATOM 840 CB GLN A 51 5.348 0.768 -3.325 1.00 0.00 C ATOM 841 CG GLN A 51 6.778 0.971 -2.900 1.00 0.00 C ATOM 842 CD GLN A 51 6.846 1.393 -1.461 1.00 0.00 C ATOM 843 OE1 GLN A 51 6.937 0.568 -0.558 1.00 0.00 O ATOM 844 NE2 GLN A 51 6.779 2.668 -1.240 1.00 0.00 N ATOM 0 H GLN A 51 5.546 -1.614 -3.915 1.00 0.00 H new ATOM 0 HA GLN A 51 4.824 -0.213 -1.515 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.320 0.563 -4.395 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.793 1.692 -3.163 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.340 0.047 -3.041 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.246 1.728 -3.529 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.704 3.318 -2.022 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.801 3.022 -0.284 1.00 0.00 H new ATOM 853 N ILE A 52 2.557 -0.640 -1.863 1.00 0.00 N ATOM 854 CA ILE A 52 1.136 -0.592 -1.832 1.00 0.00 C ATOM 855 C ILE A 52 0.649 0.499 -0.903 1.00 0.00 C ATOM 856 O ILE A 52 1.351 0.934 -0.007 1.00 0.00 O ATOM 857 CB ILE A 52 0.562 -1.917 -1.362 1.00 0.00 C ATOM 858 CG1 ILE A 52 1.073 -2.246 0.007 1.00 0.00 C ATOM 859 CG2 ILE A 52 0.921 -3.019 -2.319 1.00 0.00 C ATOM 860 CD1 ILE A 52 0.542 -3.514 0.506 1.00 0.00 C ATOM 0 H ILE A 52 2.975 -0.927 -0.978 1.00 0.00 H new ATOM 0 HA ILE A 52 0.799 -0.383 -2.847 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.524 -1.826 -1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.162 -2.294 -0.015 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.803 -1.445 0.696 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.501 -3.960 -1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.518 -2.790 -3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.006 -3.107 -2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.941 -3.709 1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.545 -3.459 0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.834 -4.321 -0.166 1.00 0.00 H new ATOM 872 N GLU A 53 -0.534 0.933 -1.111 1.00 0.00 N ATOM 873 CA GLU A 53 -1.123 1.925 -0.254 1.00 0.00 C ATOM 874 C GLU A 53 -2.445 1.391 0.232 1.00 0.00 C ATOM 875 O GLU A 53 -3.171 0.769 -0.540 1.00 0.00 O ATOM 876 CB GLU A 53 -1.323 3.236 -1.016 1.00 0.00 C ATOM 877 CG GLU A 53 -0.043 3.846 -1.565 1.00 0.00 C ATOM 878 CD GLU A 53 -0.305 4.971 -2.533 1.00 0.00 C ATOM 879 OE1 GLU A 53 -0.616 4.688 -3.714 1.00 0.00 O ATOM 880 OE2 GLU A 53 -0.179 6.158 -2.149 1.00 0.00 O ATOM 0 H GLU A 53 -1.133 0.621 -1.875 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.467 2.131 0.592 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.011 3.060 -1.843 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.800 3.958 -0.353 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.562 4.217 -0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.540 3.071 -2.063 1.00 0.00 H new ATOM 887 N ILE A 54 -2.746 1.561 1.501 1.00 0.00 N ATOM 888 CA ILE A 54 -4.035 1.073 1.989 1.00 0.00 C ATOM 889 C ILE A 54 -5.052 2.194 2.114 1.00 0.00 C ATOM 890 O ILE A 54 -4.744 3.315 2.563 1.00 0.00 O ATOM 891 CB ILE A 54 -4.012 0.193 3.298 1.00 0.00 C ATOM 892 CG1 ILE A 54 -3.795 1.007 4.567 1.00 0.00 C ATOM 893 CG2 ILE A 54 -2.951 -0.890 3.197 1.00 0.00 C ATOM 894 CD1 ILE A 54 -2.471 1.665 4.637 1.00 0.00 C ATOM 0 H ILE A 54 -2.150 2.013 2.195 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.341 0.378 1.207 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.000 -0.261 3.374 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.572 1.768 4.636 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.911 0.353 5.431 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.951 -1.486 4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.167 -1.533 2.344 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.972 -0.429 3.065 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.392 2.225 5.569 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.687 0.909 4.600 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.358 2.346 3.793 1.00 0.00 H new ATOM 906 N ILE A 55 -6.239 1.886 1.717 1.00 0.00 N ATOM 907 CA ILE A 55 -7.331 2.825 1.683 1.00 0.00 C ATOM 908 C ILE A 55 -8.273 2.590 2.850 1.00 0.00 C ATOM 909 O ILE A 55 -8.648 3.510 3.553 1.00 0.00 O ATOM 910 CB ILE A 55 -8.141 2.700 0.343 1.00 0.00 C ATOM 911 CG1 ILE A 55 -7.377 3.223 -0.892 1.00 0.00 C ATOM 912 CG2 ILE A 55 -9.528 3.317 0.425 1.00 0.00 C ATOM 913 CD1 ILE A 55 -6.229 2.356 -1.352 1.00 0.00 C ATOM 0 H ILE A 55 -6.494 0.952 1.397 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.904 3.826 1.752 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.269 1.627 0.204 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.082 3.332 -1.716 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.993 4.218 -0.667 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.036 3.198 -0.532 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.103 2.818 1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.441 4.378 0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.758 2.809 -2.224 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.497 2.266 -0.550 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.603 1.366 -1.615 1.00 0.00 H new ATOM 925 N ARG A 56 -8.635 1.363 3.064 1.00 0.00 N ATOM 926 CA ARG A 56 -9.645 1.067 4.040 1.00 0.00 C ATOM 927 C ARG A 56 -9.062 0.373 5.235 1.00 0.00 C ATOM 928 O ARG A 56 -8.468 -0.713 5.103 1.00 0.00 O ATOM 929 CB ARG A 56 -10.707 0.183 3.436 1.00 0.00 C ATOM 930 CG ARG A 56 -11.884 -0.058 4.346 1.00 0.00 C ATOM 931 CD ARG A 56 -12.731 -1.169 3.816 1.00 0.00 C ATOM 932 NE ARG A 56 -13.998 -1.309 4.541 1.00 0.00 N ATOM 933 CZ ARG A 56 -15.006 -2.114 4.171 1.00 0.00 C ATOM 934 NH1 ARG A 56 -14.915 -2.841 3.057 1.00 0.00 N ATOM 935 NH2 ARG A 56 -16.103 -2.188 4.911 1.00 0.00 N ATOM 0 H ARG A 56 -8.250 0.552 2.580 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.081 2.014 4.359 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.062 0.637 2.510 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.262 -0.776 3.171 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.533 -0.305 5.348 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.478 0.852 4.432 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.938 -0.991 2.761 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.176 -2.105 3.878 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.122 -0.754 5.388 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.075 -2.787 2.480 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.685 -3.451 2.782 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.182 -1.633 5.763 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.868 -2.800 4.629 1.00 0.00 H new ATOM 949 N ILE A 57 -9.241 0.968 6.380 1.00 0.00 N ATOM 950 CA ILE A 57 -8.815 0.377 7.609 1.00 0.00 C ATOM 951 C ILE A 57 -10.042 -0.301 8.227 1.00 0.00 C ATOM 952 O ILE A 57 -10.900 0.356 8.829 1.00 0.00 O ATOM 953 CB ILE A 57 -8.302 1.479 8.597 1.00 0.00 C ATOM 954 CG1 ILE A 57 -7.222 2.373 7.943 1.00 0.00 C ATOM 955 CG2 ILE A 57 -7.786 0.872 9.894 1.00 0.00 C ATOM 956 CD1 ILE A 57 -5.988 1.637 7.463 1.00 0.00 C ATOM 0 H ILE A 57 -9.688 1.879 6.484 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.006 -0.330 7.427 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.157 2.111 8.840 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.668 2.895 7.096 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.917 3.133 8.662 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.439 1.666 10.555 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.589 0.320 10.382 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.960 0.195 9.676 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.290 2.347 7.020 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.511 1.137 8.306 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.274 0.896 6.717 1.00 0.00 H new ATOM 968 N THR A 58 -10.175 -1.576 7.988 1.00 0.00 N ATOM 969 CA THR A 58 -11.225 -2.349 8.589 1.00 0.00 C ATOM 970 C THR A 58 -10.696 -3.707 9.078 1.00 0.00 C ATOM 971 O THR A 58 -9.745 -4.243 8.533 1.00 0.00 O ATOM 972 CB THR A 58 -12.363 -2.567 7.565 1.00 0.00 C ATOM 973 OG1 THR A 58 -13.420 -3.345 8.135 1.00 0.00 O ATOM 974 CG2 THR A 58 -11.833 -3.261 6.319 1.00 0.00 C ATOM 0 H THR A 58 -9.560 -2.107 7.372 1.00 0.00 H new ATOM 0 HA THR A 58 -11.608 -1.801 9.450 1.00 0.00 H new ATOM 0 HB THR A 58 -12.757 -1.589 7.290 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.130 -3.469 7.471 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.647 -3.406 5.609 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.058 -2.646 5.861 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.413 -4.229 6.592 1.00 0.00 H new ATOM 1037 N GLY A 63 -10.364 -9.583 9.154 1.00 0.00 N ATOM 1038 CA GLY A 63 -9.122 -8.994 9.590 1.00 0.00 C ATOM 1039 C GLY A 63 -8.226 -8.499 8.499 1.00 0.00 C ATOM 1040 O GLY A 63 -7.009 -8.530 8.649 1.00 0.00 O ATOM 0 HA2 GLY A 63 -9.349 -8.161 10.256 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.576 -9.732 10.178 1.00 0.00 H new ATOM 1044 N LYS A 64 -8.773 -8.041 7.407 1.00 0.00 N ATOM 1045 CA LYS A 64 -7.917 -7.564 6.344 1.00 0.00 C ATOM 1046 C LYS A 64 -8.203 -6.131 6.005 1.00 0.00 C ATOM 1047 O LYS A 64 -9.352 -5.694 6.036 1.00 0.00 O ATOM 1048 CB LYS A 64 -8.088 -8.378 5.092 1.00 0.00 C ATOM 1049 CG LYS A 64 -7.947 -9.857 5.264 1.00 0.00 C ATOM 1050 CD LYS A 64 -6.549 -10.286 5.629 1.00 0.00 C ATOM 1051 CE LYS A 64 -6.470 -11.796 5.819 1.00 0.00 C ATOM 1052 NZ LYS A 64 -7.215 -12.252 7.013 1.00 0.00 N ATOM 0 H LYS A 64 -9.775 -7.986 7.227 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.896 -7.659 6.713 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.074 -8.170 4.676 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.355 -8.043 4.358 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.636 -10.193 6.039 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.242 -10.353 4.339 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.855 -9.978 4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.239 -9.784 6.546 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.868 -12.292 4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.426 -12.094 5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.983 -13.247 7.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.950 -11.668 7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.237 -12.162 6.840 1.00 0.00 H new ATOM 1066 N TRP A 65 -7.159 -5.424 5.673 1.00 0.00 N ATOM 1067 CA TRP A 65 -7.241 -4.052 5.219 1.00 0.00 C ATOM 1068 C TRP A 65 -7.297 -4.040 3.719 1.00 0.00 C ATOM 1069 O TRP A 65 -6.959 -5.022 3.095 1.00 0.00 O ATOM 1070 CB TRP A 65 -6.028 -3.248 5.690 1.00 0.00 C ATOM 1071 CG TRP A 65 -6.092 -2.843 7.125 1.00 0.00 C ATOM 1072 CD1 TRP A 65 -7.081 -3.118 8.005 1.00 0.00 C ATOM 1073 CD2 TRP A 65 -5.139 -2.063 7.834 1.00 0.00 C ATOM 1074 NE1 TRP A 65 -6.805 -2.574 9.221 1.00 0.00 N ATOM 1075 CE2 TRP A 65 -5.618 -1.913 9.145 1.00 0.00 C ATOM 1076 CE3 TRP A 65 -3.931 -1.483 7.494 1.00 0.00 C ATOM 1077 CZ2 TRP A 65 -4.927 -1.201 10.111 1.00 0.00 C ATOM 1078 CZ3 TRP A 65 -3.246 -0.774 8.447 1.00 0.00 C ATOM 1079 CH2 TRP A 65 -3.745 -0.635 9.745 1.00 0.00 C ATOM 0 H TRP A 65 -6.206 -5.787 5.709 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.138 -3.595 5.636 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -5.127 -3.840 5.529 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -5.936 -2.354 5.074 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.967 -3.690 7.774 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.391 -2.649 10.052 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.534 -1.587 6.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -5.311 -1.099 11.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.303 -0.314 8.190 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -3.182 -0.068 10.471 1.00 0.00 H new ATOM 1090 N LEU A 66 -7.721 -2.959 3.145 1.00 0.00 N ATOM 1091 CA LEU A 66 -7.770 -2.868 1.707 1.00 0.00 C ATOM 1092 C LEU A 66 -6.606 -2.048 1.217 1.00 0.00 C ATOM 1093 O LEU A 66 -6.494 -0.858 1.538 1.00 0.00 O ATOM 1094 CB LEU A 66 -9.142 -2.307 1.220 1.00 0.00 C ATOM 1095 CG LEU A 66 -9.366 -2.103 -0.317 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -8.680 -0.842 -0.837 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -8.880 -3.314 -1.105 1.00 0.00 C ATOM 0 H LEU A 66 -8.039 -2.126 3.641 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.684 -3.867 1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.921 -2.978 1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.298 -1.345 1.708 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.440 -1.987 -0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.863 -0.743 -1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.079 0.030 -0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.607 -0.911 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.047 -3.147 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.816 -3.463 -0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.429 -4.200 -0.786 1.00 0.00 H new ATOM 1109 N GLY A 67 -5.764 -2.675 0.454 1.00 0.00 N ATOM 1110 CA GLY A 67 -4.631 -2.028 -0.117 1.00 0.00 C ATOM 1111 C GLY A 67 -4.680 -2.104 -1.624 1.00 0.00 C ATOM 1112 O GLY A 67 -5.579 -2.719 -2.186 1.00 0.00 O ATOM 0 H GLY A 67 -5.848 -3.662 0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.603 -0.985 0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.716 -2.496 0.247 1.00 0.00 H new ATOM 1116 N ARG A 68 -3.735 -1.494 -2.258 1.00 0.00 N ATOM 1117 CA ARG A 68 -3.580 -1.493 -3.697 1.00 0.00 C ATOM 1118 C ARG A 68 -2.125 -1.329 -4.027 1.00 0.00 C ATOM 1119 O ARG A 68 -1.424 -0.609 -3.326 1.00 0.00 O ATOM 1120 CB ARG A 68 -4.363 -0.364 -4.375 1.00 0.00 C ATOM 1121 CG ARG A 68 -4.063 1.039 -3.846 1.00 0.00 C ATOM 1122 CD ARG A 68 -4.420 2.116 -4.863 1.00 0.00 C ATOM 1123 NE ARG A 68 -3.418 2.180 -5.929 1.00 0.00 N ATOM 1124 CZ ARG A 68 -3.625 2.469 -7.224 1.00 0.00 C ATOM 1125 NH1 ARG A 68 -4.855 2.622 -7.706 1.00 0.00 N ATOM 1126 NH2 ARG A 68 -2.585 2.584 -8.036 1.00 0.00 N ATOM 0 H ARG A 68 -3.013 -0.956 -1.779 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.973 -2.439 -4.068 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.151 -0.386 -5.444 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.429 -0.560 -4.258 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.623 1.208 -2.926 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.005 1.114 -3.594 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.400 1.907 -5.292 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.490 3.083 -4.365 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.455 1.983 -5.657 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.661 2.520 -7.089 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.993 2.841 -8.693 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.640 2.453 -7.676 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.729 2.803 -9.022 1.00 0.00 H new ATOM 1140 N THR A 69 -1.668 -1.998 -5.048 1.00 0.00 N ATOM 1141 CA THR A 69 -0.315 -1.845 -5.499 1.00 0.00 C ATOM 1142 C THR A 69 -0.197 -0.561 -6.293 1.00 0.00 C ATOM 1143 O THR A 69 -1.218 0.025 -6.689 1.00 0.00 O ATOM 1144 CB THR A 69 0.111 -3.028 -6.381 1.00 0.00 C ATOM 1145 OG1 THR A 69 -0.857 -3.243 -7.425 1.00 0.00 O ATOM 1146 CG2 THR A 69 0.284 -4.292 -5.558 1.00 0.00 C ATOM 0 H THR A 69 -2.221 -2.662 -5.589 1.00 0.00 H new ATOM 0 HA THR A 69 0.339 -1.813 -4.627 1.00 0.00 H new ATOM 0 HB THR A 69 1.073 -2.784 -6.831 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.575 -3.998 -7.982 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.586 -5.112 -6.210 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.050 -4.130 -4.800 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.659 -4.542 -5.073 1.00 0.00 H new ATOM 1154 N ALA A 70 1.021 -0.152 -6.577 1.00 0.00 N ATOM 1155 CA ALA A 70 1.274 1.060 -7.322 1.00 0.00 C ATOM 1156 C ALA A 70 0.765 0.928 -8.749 1.00 0.00 C ATOM 1157 O ALA A 70 0.508 1.924 -9.416 1.00 0.00 O ATOM 1158 CB ALA A 70 2.759 1.386 -7.312 1.00 0.00 C ATOM 0 H ALA A 70 1.864 -0.652 -6.297 1.00 0.00 H new ATOM 0 HA ALA A 70 0.737 1.878 -6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.934 2.301 -7.877 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.094 1.524 -6.284 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.315 0.566 -7.768 1.00 0.00 H new ATOM 1164 N ARG A 71 0.604 -0.314 -9.212 1.00 0.00 N ATOM 1165 CA ARG A 71 0.089 -0.548 -10.542 1.00 0.00 C ATOM 1166 C ARG A 71 -1.425 -0.380 -10.558 1.00 0.00 C ATOM 1167 O ARG A 71 -1.985 0.059 -11.555 1.00 0.00 O ATOM 1168 CB ARG A 71 0.462 -1.959 -11.027 1.00 0.00 C ATOM 1169 CG ARG A 71 0.008 -2.271 -12.456 1.00 0.00 C ATOM 1170 CD ARG A 71 0.591 -1.278 -13.450 1.00 0.00 C ATOM 1171 NE ARG A 71 0.169 -1.543 -14.828 1.00 0.00 N ATOM 1172 CZ ARG A 71 1.001 -1.526 -15.888 1.00 0.00 C ATOM 1173 NH1 ARG A 71 2.306 -1.317 -15.699 1.00 0.00 N ATOM 1174 NH2 ARG A 71 0.537 -1.748 -17.120 1.00 0.00 N ATOM 0 H ARG A 71 0.823 -1.158 -8.684 1.00 0.00 H new ATOM 0 HA ARG A 71 0.536 0.183 -11.215 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.544 -2.078 -10.967 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.023 -2.692 -10.350 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.316 -3.281 -12.725 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.080 -2.245 -12.508 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.288 -0.269 -13.169 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.679 -1.311 -13.395 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.815 -1.753 -14.995 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.668 -1.171 -14.757 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.941 -1.303 -16.497 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.456 -1.933 -17.266 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.175 -1.733 -17.916 1.00 0.00 H new ATOM 1188 N GLY A 72 -2.060 -0.612 -9.420 1.00 0.00 N ATOM 1189 CA GLY A 72 -3.501 -0.495 -9.355 1.00 0.00 C ATOM 1190 C GLY A 72 -4.221 -1.806 -9.074 1.00 0.00 C ATOM 1191 O GLY A 72 -5.381 -1.969 -9.444 1.00 0.00 O ATOM 0 H GLY A 72 -1.607 -0.878 -8.546 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.761 0.223 -8.578 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.864 -0.089 -10.299 1.00 0.00 H new ATOM 1195 N SER A 73 -3.558 -2.737 -8.429 1.00 0.00 N ATOM 1196 CA SER A 73 -4.188 -3.975 -8.072 1.00 0.00 C ATOM 1197 C SER A 73 -4.584 -3.875 -6.607 1.00 0.00 C ATOM 1198 O SER A 73 -3.732 -3.739 -5.747 1.00 0.00 O ATOM 1199 CB SER A 73 -3.216 -5.141 -8.287 1.00 0.00 C ATOM 1200 OG SER A 73 -2.631 -5.094 -9.592 1.00 0.00 O ATOM 0 H SER A 73 -2.582 -2.656 -8.143 1.00 0.00 H new ATOM 0 HA SER A 73 -5.066 -4.157 -8.692 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.430 -5.107 -7.532 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.743 -6.086 -8.156 1.00 0.00 H new ATOM 0 HG SER A 73 -2.014 -5.848 -9.701 1.00 0.00 H new ATOM 1206 N TYR A 74 -5.859 -3.860 -6.347 1.00 0.00 N ATOM 1207 CA TYR A 74 -6.376 -3.742 -4.978 1.00 0.00 C ATOM 1208 C TYR A 74 -6.598 -5.107 -4.377 1.00 0.00 C ATOM 1209 O TYR A 74 -6.982 -6.048 -5.080 1.00 0.00 O ATOM 1210 CB TYR A 74 -7.686 -2.943 -4.934 1.00 0.00 C ATOM 1211 CG TYR A 74 -7.622 -1.518 -5.456 1.00 0.00 C ATOM 1212 CD1 TYR A 74 -7.389 -1.254 -6.804 1.00 0.00 C ATOM 1213 CD2 TYR A 74 -7.826 -0.442 -4.607 1.00 0.00 C ATOM 1214 CE1 TYR A 74 -7.354 0.030 -7.283 1.00 0.00 C ATOM 1215 CE2 TYR A 74 -7.793 0.853 -5.084 1.00 0.00 C ATOM 1216 CZ TYR A 74 -7.555 1.080 -6.422 1.00 0.00 C ATOM 1217 OH TYR A 74 -7.509 2.372 -6.902 1.00 0.00 O ATOM 0 H TYR A 74 -6.583 -3.928 -7.062 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.628 -3.205 -4.395 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.437 -3.485 -5.509 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.035 -2.914 -3.902 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.233 -2.077 -7.485 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.013 -0.619 -3.558 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.169 0.214 -8.331 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.953 1.683 -4.412 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.672 3.000 -6.167 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.345 -5.224 -3.108 1.00 0.00 N ATOM 1228 CA GLY A 75 -6.540 -6.488 -2.437 1.00 0.00 C ATOM 1229 C GLY A 75 -6.542 -6.343 -0.949 1.00 0.00 C ATOM 1230 O GLY A 75 -6.051 -5.333 -0.428 1.00 0.00 O ATOM 0 H GLY A 75 -6.005 -4.468 -2.513 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.485 -6.926 -2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.751 -7.180 -2.732 1.00 0.00 H new ATOM 1234 N TYR A 76 -7.111 -7.318 -0.258 1.00 0.00 N ATOM 1235 CA TYR A 76 -7.069 -7.340 1.173 1.00 0.00 C ATOM 1236 C TYR A 76 -5.683 -7.675 1.644 1.00 0.00 C ATOM 1237 O TYR A 76 -4.908 -8.316 0.936 1.00 0.00 O ATOM 1238 CB TYR A 76 -8.122 -8.276 1.764 1.00 0.00 C ATOM 1239 CG TYR A 76 -9.523 -7.709 1.703 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -9.800 -6.445 2.221 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -10.564 -8.427 1.150 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -11.072 -5.921 2.181 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -11.840 -7.910 1.108 1.00 0.00 C ATOM 1244 CZ TYR A 76 -12.090 -6.657 1.623 1.00 0.00 C ATOM 1245 OH TYR A 76 -13.364 -6.137 1.566 1.00 0.00 O ATOM 0 H TYR A 76 -7.607 -8.103 -0.679 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.317 -6.343 1.536 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.097 -9.225 1.228 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.868 -8.489 2.802 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.002 -5.866 2.662 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.375 -9.410 0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.269 -4.939 2.585 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.643 -8.486 0.672 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.963 -6.785 1.141 1.00 0.00 H new ATOM 1255 N ILE A 77 -5.343 -7.192 2.781 1.00 0.00 N ATOM 1256 CA ILE A 77 -4.035 -7.374 3.305 1.00 0.00 C ATOM 1257 C ILE A 77 -4.115 -7.759 4.760 1.00 0.00 C ATOM 1258 O ILE A 77 -4.861 -7.127 5.525 1.00 0.00 O ATOM 1259 CB ILE A 77 -3.244 -6.038 3.257 1.00 0.00 C ATOM 1260 CG1 ILE A 77 -3.222 -5.437 1.869 1.00 0.00 C ATOM 1261 CG2 ILE A 77 -1.830 -6.281 3.698 1.00 0.00 C ATOM 1262 CD1 ILE A 77 -2.677 -4.045 1.821 1.00 0.00 C ATOM 0 H ILE A 77 -5.968 -6.654 3.382 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.546 -8.145 2.710 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.746 -5.336 3.923 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.624 -6.074 1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.236 -5.434 1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.273 -5.345 3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.828 -6.669 4.717 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.361 -7.006 3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.694 -3.683 0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.288 -3.393 2.445 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.651 -4.043 2.190 1.00 0.00 H new ATOM 1274 N LYS A 78 -3.406 -8.807 5.150 1.00 0.00 N ATOM 1275 CA LYS A 78 -3.198 -9.038 6.559 1.00 0.00 C ATOM 1276 C LYS A 78 -2.373 -7.862 7.065 1.00 0.00 C ATOM 1277 O LYS A 78 -1.395 -7.498 6.432 1.00 0.00 O ATOM 1278 CB LYS A 78 -2.391 -10.306 6.836 1.00 0.00 C ATOM 1279 CG LYS A 78 -3.058 -11.616 6.521 1.00 0.00 C ATOM 1280 CD LYS A 78 -2.193 -12.773 6.996 1.00 0.00 C ATOM 1281 CE LYS A 78 -0.875 -12.841 6.244 1.00 0.00 C ATOM 1282 NZ LYS A 78 0.009 -13.897 6.770 1.00 0.00 N ATOM 0 H LYS A 78 -2.978 -9.491 4.526 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.168 -9.146 7.044 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.464 -10.251 6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.116 -10.310 7.891 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.035 -11.660 7.003 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.229 -11.697 5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.997 -12.666 8.063 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.735 -13.709 6.864 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.070 -13.025 5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.369 -11.878 6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.897 -13.908 6.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.217 -13.709 7.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.462 -14.820 6.682 1.00 0.00 H new ATOM 1296 N THR A 79 -2.699 -7.322 8.188 1.00 0.00 N ATOM 1297 CA THR A 79 -2.023 -6.122 8.694 1.00 0.00 C ATOM 1298 C THR A 79 -0.559 -6.403 9.070 1.00 0.00 C ATOM 1299 O THR A 79 0.254 -5.491 9.252 1.00 0.00 O ATOM 1300 CB THR A 79 -2.779 -5.604 9.904 1.00 0.00 C ATOM 1301 OG1 THR A 79 -2.847 -6.649 10.883 1.00 0.00 O ATOM 1302 CG2 THR A 79 -4.181 -5.261 9.498 1.00 0.00 C ATOM 0 H THR A 79 -3.435 -7.679 8.798 1.00 0.00 H new ATOM 0 HA THR A 79 -2.016 -5.373 7.902 1.00 0.00 H new ATOM 0 HB THR A 79 -2.273 -4.726 10.306 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.332 -6.327 11.672 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.729 -4.888 10.363 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.158 -4.493 8.724 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.676 -6.152 9.111 1.00 0.00 H new ATOM 1310 N THR A 80 -0.242 -7.665 9.138 1.00 0.00 N ATOM 1311 CA THR A 80 1.051 -8.129 9.490 1.00 0.00 C ATOM 1312 C THR A 80 1.856 -8.421 8.204 1.00 0.00 C ATOM 1313 O THR A 80 3.072 -8.555 8.226 1.00 0.00 O ATOM 1314 CB THR A 80 0.898 -9.396 10.348 1.00 0.00 C ATOM 1315 OG1 THR A 80 2.160 -9.861 10.844 1.00 0.00 O ATOM 1316 CG2 THR A 80 0.215 -10.482 9.540 1.00 0.00 C ATOM 0 H THR A 80 -0.904 -8.415 8.942 1.00 0.00 H new ATOM 0 HA THR A 80 1.590 -7.375 10.064 1.00 0.00 H new ATOM 0 HB THR A 80 0.284 -9.144 11.212 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.022 -10.666 11.386 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.109 -11.378 10.152 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.770 -10.137 9.227 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.815 -10.713 8.660 1.00 0.00 H new ATOM 1324 N ALA A 81 1.153 -8.482 7.070 1.00 0.00 N ATOM 1325 CA ALA A 81 1.791 -8.741 5.786 1.00 0.00 C ATOM 1326 C ALA A 81 2.469 -7.486 5.302 1.00 0.00 C ATOM 1327 O ALA A 81 3.367 -7.534 4.477 1.00 0.00 O ATOM 1328 CB ALA A 81 0.771 -9.214 4.741 1.00 0.00 C ATOM 0 H ALA A 81 0.142 -8.355 7.020 1.00 0.00 H new ATOM 0 HA ALA A 81 2.527 -9.534 5.922 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.279 -9.399 3.794 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.298 -10.134 5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.011 -8.446 4.601 1.00 0.00 H new ATOM 1334 N VAL A 82 2.047 -6.354 5.834 1.00 0.00 N ATOM 1335 CA VAL A 82 2.581 -5.081 5.403 1.00 0.00 C ATOM 1336 C VAL A 82 3.040 -4.237 6.552 1.00 0.00 C ATOM 1337 O VAL A 82 2.512 -4.323 7.662 1.00 0.00 O ATOM 1338 CB VAL A 82 1.586 -4.264 4.534 1.00 0.00 C ATOM 1339 CG1 VAL A 82 1.258 -5.026 3.304 1.00 0.00 C ATOM 1340 CG2 VAL A 82 0.305 -3.935 5.273 1.00 0.00 C ATOM 0 H VAL A 82 1.337 -6.293 6.564 1.00 0.00 H new ATOM 0 HA VAL A 82 3.441 -5.337 4.784 1.00 0.00 H new ATOM 0 HB VAL A 82 2.074 -3.322 4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.560 -4.451 2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.170 -5.209 2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.803 -5.978 3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.355 -3.363 4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.191 -4.859 5.571 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.538 -3.346 6.160 1.00 0.00 H new ATOM 1350 N GLU A 83 4.027 -3.440 6.281 1.00 0.00 N ATOM 1351 CA GLU A 83 4.517 -2.490 7.214 1.00 0.00 C ATOM 1352 C GLU A 83 3.879 -1.142 6.909 1.00 0.00 C ATOM 1353 O GLU A 83 4.194 -0.475 5.917 1.00 0.00 O ATOM 1354 CB GLU A 83 6.048 -2.434 7.195 1.00 0.00 C ATOM 1355 CG GLU A 83 6.652 -2.258 5.821 1.00 0.00 C ATOM 1356 CD GLU A 83 8.132 -2.141 5.861 1.00 0.00 C ATOM 1357 OE1 GLU A 83 8.631 -1.024 6.061 1.00 0.00 O ATOM 1358 OE2 GLU A 83 8.828 -3.156 5.697 1.00 0.00 O ATOM 0 H GLU A 83 4.519 -3.436 5.388 1.00 0.00 H new ATOM 0 HA GLU A 83 4.244 -2.784 8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.377 -1.612 7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.438 -3.352 7.635 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.375 -3.106 5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.233 -1.366 5.355 1.00 0.00 H new ATOM 1365 N ILE A 84 2.922 -0.816 7.696 1.00 0.00 N ATOM 1366 CA ILE A 84 2.170 0.409 7.565 1.00 0.00 C ATOM 1367 C ILE A 84 2.944 1.559 8.208 1.00 0.00 C ATOM 1368 O ILE A 84 3.501 1.403 9.303 1.00 0.00 O ATOM 1369 CB ILE A 84 0.813 0.228 8.260 1.00 0.00 C ATOM 1370 CG1 ILE A 84 0.023 -0.905 7.604 1.00 0.00 C ATOM 1371 CG2 ILE A 84 0.005 1.518 8.283 1.00 0.00 C ATOM 1372 CD1 ILE A 84 -0.484 -0.574 6.242 1.00 0.00 C ATOM 0 H ILE A 84 2.619 -1.400 8.476 1.00 0.00 H new ATOM 0 HA ILE A 84 2.013 0.643 6.512 1.00 0.00 H new ATOM 0 HB ILE A 84 1.009 -0.041 9.298 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.658 -1.789 7.540 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.821 -1.164 8.243 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.947 1.342 8.784 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.561 2.286 8.820 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.179 1.850 7.261 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.034 -1.426 5.842 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.146 0.290 6.300 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.356 -0.344 5.587 1.00 0.00 H new ATOM 1384 N ASP A 85 2.998 2.687 7.531 1.00 0.00 N ATOM 1385 CA ASP A 85 3.731 3.839 8.030 1.00 0.00 C ATOM 1386 C ASP A 85 2.863 4.649 8.959 1.00 0.00 C ATOM 1387 O ASP A 85 1.634 4.612 8.878 1.00 0.00 O ATOM 1388 CB ASP A 85 4.193 4.748 6.895 1.00 0.00 C ATOM 1389 CG ASP A 85 3.136 5.741 6.432 1.00 0.00 C ATOM 1390 OD1 ASP A 85 2.053 5.344 5.958 1.00 0.00 O ATOM 1391 OD2 ASP A 85 3.378 6.941 6.553 1.00 0.00 O ATOM 0 H ASP A 85 2.542 2.834 6.630 1.00 0.00 H new ATOM 0 HA ASP A 85 4.604 3.456 8.559 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.077 5.298 7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.494 4.131 6.048 1.00 0.00 H new