USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=15 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+ -169:sc= 1.15 (180deg=1.04) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00904 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HE2:sc= -1.85! C(o=-1.8!,f=-5.3!) USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= 0.962 (180deg=0.463) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 173:sc=-0.00198 (180deg=-0.0636) USER MOD Single : A 42 ASN : amide:sc= -0.108 K(o=-0.11,f=-3!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.101 K(o=-0.1,f=-2.9!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 147:sc= 0.872 USER MOD Single : A 64 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00202) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.692 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= -0.0386 USER MOD Single : A 76 TYR OH : rot 180:sc= 0.56 USER MOD Single : A 78 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.188) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N GLU A 14 -13.106 -5.641 -11.121 1.00 0.00 N ATOM 245 CA GLU A 14 -13.056 -6.841 -10.310 1.00 0.00 C ATOM 246 C GLU A 14 -12.939 -6.510 -8.843 1.00 0.00 C ATOM 247 O GLU A 14 -13.685 -7.043 -8.030 1.00 0.00 O ATOM 248 CB GLU A 14 -11.908 -7.755 -10.730 1.00 0.00 C ATOM 249 CG GLU A 14 -12.086 -8.410 -12.081 1.00 0.00 C ATOM 250 CD GLU A 14 -13.306 -9.279 -12.128 1.00 0.00 C ATOM 251 OE1 GLU A 14 -13.287 -10.387 -11.546 1.00 0.00 O ATOM 252 OE2 GLU A 14 -14.314 -8.878 -12.727 1.00 0.00 O ATOM 0 HA GLU A 14 -13.995 -7.371 -10.473 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.985 -7.175 -10.741 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.787 -8.533 -9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.159 -7.641 -12.850 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.205 -9.009 -12.312 1.00 0.00 H new ATOM 259 N ILE A 15 -12.036 -5.594 -8.504 1.00 0.00 N ATOM 260 CA ILE A 15 -11.820 -5.223 -7.105 1.00 0.00 C ATOM 261 C ILE A 15 -13.063 -4.564 -6.522 1.00 0.00 C ATOM 262 O ILE A 15 -13.322 -4.642 -5.329 1.00 0.00 O ATOM 263 CB ILE A 15 -10.547 -4.323 -6.901 1.00 0.00 C ATOM 264 CG1 ILE A 15 -10.676 -2.928 -7.552 1.00 0.00 C ATOM 265 CG2 ILE A 15 -9.308 -5.029 -7.418 1.00 0.00 C ATOM 266 CD1 ILE A 15 -11.337 -1.865 -6.681 1.00 0.00 C ATOM 0 H ILE A 15 -11.445 -5.097 -9.171 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.630 -6.147 -6.560 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.455 -4.161 -5.827 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.681 -2.581 -7.829 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.248 -3.026 -8.475 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.437 -4.391 -7.269 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.170 -5.965 -6.876 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.426 -5.239 -8.481 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.380 -0.923 -7.227 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.348 -2.182 -6.424 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.756 -1.729 -5.769 1.00 0.00 H new ATOM 278 N LYS A 16 -13.842 -3.960 -7.383 1.00 0.00 N ATOM 279 CA LYS A 16 -15.057 -3.308 -6.987 1.00 0.00 C ATOM 280 C LYS A 16 -16.104 -4.330 -6.593 1.00 0.00 C ATOM 281 O LYS A 16 -16.758 -4.199 -5.568 1.00 0.00 O ATOM 282 CB LYS A 16 -15.559 -2.387 -8.093 1.00 0.00 C ATOM 283 CG LYS A 16 -14.838 -1.050 -8.172 1.00 0.00 C ATOM 284 CD LYS A 16 -15.340 -0.226 -9.345 1.00 0.00 C ATOM 285 CE LYS A 16 -14.696 1.144 -9.378 1.00 0.00 C ATOM 286 NZ LYS A 16 -15.154 1.944 -10.535 1.00 0.00 N ATOM 0 H LYS A 16 -13.647 -3.908 -8.383 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.853 -2.690 -6.113 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.456 -2.899 -9.050 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -16.623 -2.204 -7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -14.988 -0.497 -7.245 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -13.766 -1.217 -8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -15.128 -0.751 -10.277 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -16.423 -0.119 -9.278 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -14.928 1.676 -8.455 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.612 1.034 -9.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.689 2.874 -10.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.911 1.450 -11.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -16.185 2.071 -10.483 1.00 0.00 H new ATOM 300 N LYS A 17 -16.213 -5.377 -7.350 1.00 0.00 N ATOM 301 CA LYS A 17 -17.190 -6.407 -7.053 1.00 0.00 C ATOM 302 C LYS A 17 -16.648 -7.391 -6.014 1.00 0.00 C ATOM 303 O LYS A 17 -17.367 -8.261 -5.529 1.00 0.00 O ATOM 304 CB LYS A 17 -17.580 -7.140 -8.329 1.00 0.00 C ATOM 305 CG LYS A 17 -18.117 -6.228 -9.419 1.00 0.00 C ATOM 306 CD LYS A 17 -19.366 -5.492 -8.988 1.00 0.00 C ATOM 307 CE LYS A 17 -19.834 -4.559 -10.081 1.00 0.00 C ATOM 308 NZ LYS A 17 -21.072 -3.848 -9.720 1.00 0.00 N ATOM 0 H LYS A 17 -15.644 -5.551 -8.179 1.00 0.00 H new ATOM 0 HA LYS A 17 -18.077 -5.931 -6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -16.710 -7.674 -8.711 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -18.335 -7.889 -8.090 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -17.349 -5.505 -9.696 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -18.335 -6.818 -10.309 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -20.153 -6.208 -8.751 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -19.166 -4.925 -8.079 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -19.050 -3.832 -10.295 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -19.999 -5.129 -10.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -21.352 -3.221 -10.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -21.829 -4.538 -9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -20.910 -3.282 -8.863 1.00 0.00 H new ATOM 322 N LYS A 18 -15.383 -7.249 -5.697 1.00 0.00 N ATOM 323 CA LYS A 18 -14.724 -8.114 -4.747 1.00 0.00 C ATOM 324 C LYS A 18 -14.601 -7.464 -3.364 1.00 0.00 C ATOM 325 O LYS A 18 -14.957 -8.078 -2.349 1.00 0.00 O ATOM 326 CB LYS A 18 -13.350 -8.513 -5.290 1.00 0.00 C ATOM 327 CG LYS A 18 -12.560 -9.485 -4.432 1.00 0.00 C ATOM 328 CD LYS A 18 -11.285 -9.904 -5.145 1.00 0.00 C ATOM 329 CE LYS A 18 -10.435 -10.825 -4.290 1.00 0.00 C ATOM 330 NZ LYS A 18 -9.265 -11.338 -5.029 1.00 0.00 N ATOM 0 H LYS A 18 -14.779 -6.528 -6.092 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.335 -9.007 -4.617 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.484 -8.955 -6.277 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.756 -7.609 -5.423 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.315 -9.021 -3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.167 -10.363 -4.213 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.539 -10.407 -6.078 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.708 -9.017 -5.408 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.098 -10.288 -3.403 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.042 -11.662 -3.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.816 -12.101 -4.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.572 -11.708 -5.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.581 -10.568 -5.175 1.00 0.00 H new ATOM 344 N PHE A 19 -14.116 -6.236 -3.321 1.00 0.00 N ATOM 345 CA PHE A 19 -13.851 -5.552 -2.056 1.00 0.00 C ATOM 346 C PHE A 19 -14.899 -4.507 -1.751 1.00 0.00 C ATOM 347 O PHE A 19 -14.953 -3.986 -0.632 1.00 0.00 O ATOM 348 CB PHE A 19 -12.469 -4.899 -2.109 1.00 0.00 C ATOM 349 CG PHE A 19 -11.383 -5.877 -2.427 1.00 0.00 C ATOM 350 CD1 PHE A 19 -11.053 -6.870 -1.533 1.00 0.00 C ATOM 351 CD2 PHE A 19 -10.718 -5.825 -3.636 1.00 0.00 C ATOM 352 CE1 PHE A 19 -10.085 -7.796 -1.834 1.00 0.00 C ATOM 353 CE2 PHE A 19 -9.740 -6.743 -3.941 1.00 0.00 C ATOM 354 CZ PHE A 19 -9.424 -7.734 -3.038 1.00 0.00 C ATOM 0 H PHE A 19 -13.895 -5.684 -4.150 1.00 0.00 H new ATOM 0 HA PHE A 19 -13.884 -6.295 -1.259 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.473 -4.109 -2.860 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.258 -4.426 -1.150 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.562 -6.922 -0.582 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.969 -5.055 -4.350 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.843 -8.573 -1.125 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.221 -6.687 -4.886 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.660 -8.460 -3.275 1.00 0.00 H new ATOM 364 N LYS A 20 -15.717 -4.202 -2.754 1.00 0.00 N ATOM 365 CA LYS A 20 -16.784 -3.214 -2.660 1.00 0.00 C ATOM 366 C LYS A 20 -16.233 -1.850 -2.320 1.00 0.00 C ATOM 367 O LYS A 20 -16.219 -1.420 -1.163 1.00 0.00 O ATOM 368 CB LYS A 20 -17.892 -3.654 -1.702 1.00 0.00 C ATOM 369 CG LYS A 20 -18.540 -4.958 -2.128 1.00 0.00 C ATOM 370 CD LYS A 20 -19.564 -5.457 -1.130 1.00 0.00 C ATOM 371 CE LYS A 20 -18.943 -5.777 0.217 1.00 0.00 C ATOM 372 NZ LYS A 20 -19.938 -6.337 1.144 1.00 0.00 N ATOM 0 H LYS A 20 -15.655 -4.643 -3.671 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.249 -3.136 -3.643 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.478 -3.767 -0.700 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -18.652 -2.875 -1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -19.020 -4.820 -3.097 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -17.768 -5.716 -2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -20.340 -4.703 -1.000 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -20.050 -6.349 -1.525 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.127 -6.487 0.084 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -18.512 -4.872 0.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -19.484 -6.546 2.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -20.704 -5.649 1.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.330 -7.213 0.744 1.00 0.00 H new ATOM 386 N LEU A 21 -15.722 -1.213 -3.325 1.00 0.00 N ATOM 387 CA LEU A 21 -15.110 0.080 -3.185 1.00 0.00 C ATOM 388 C LEU A 21 -16.198 1.142 -3.248 1.00 0.00 C ATOM 389 O LEU A 21 -16.148 2.145 -2.533 1.00 0.00 O ATOM 390 CB LEU A 21 -14.100 0.293 -4.308 1.00 0.00 C ATOM 391 CG LEU A 21 -12.858 1.073 -3.923 1.00 0.00 C ATOM 392 CD1 LEU A 21 -12.035 0.252 -2.940 1.00 0.00 C ATOM 393 CD2 LEU A 21 -12.036 1.425 -5.151 1.00 0.00 C ATOM 0 H LEU A 21 -15.715 -1.576 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.588 0.148 -2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.794 -0.681 -4.689 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.596 0.813 -5.127 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.157 2.008 -3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.141 0.809 -2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.629 0.048 -2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.745 -0.690 -3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.151 1.984 -4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.731 0.510 -5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -12.636 2.034 -5.828 1.00 0.00 H new ATOM 405 N THR A 22 -17.184 0.871 -4.098 1.00 0.00 N ATOM 406 CA THR A 22 -18.389 1.672 -4.352 1.00 0.00 C ATOM 407 C THR A 22 -18.170 3.108 -4.877 1.00 0.00 C ATOM 408 O THR A 22 -18.801 3.515 -5.860 1.00 0.00 O ATOM 409 CB THR A 22 -19.452 1.596 -3.205 1.00 0.00 C ATOM 410 OG1 THR A 22 -18.870 1.858 -1.908 1.00 0.00 O ATOM 411 CG2 THR A 22 -20.111 0.223 -3.187 1.00 0.00 C ATOM 0 H THR A 22 -17.166 0.027 -4.671 1.00 0.00 H new ATOM 0 HA THR A 22 -18.820 1.161 -5.213 1.00 0.00 H new ATOM 0 HB THR A 22 -20.196 2.366 -3.407 1.00 0.00 H new ATOM 0 HG1 THR A 22 -19.566 1.803 -1.220 1.00 0.00 H new ATOM 0 HG21 THR A 22 -20.848 0.184 -2.385 1.00 0.00 H new ATOM 0 HG22 THR A 22 -20.604 0.044 -4.142 1.00 0.00 H new ATOM 0 HG23 THR A 22 -19.353 -0.542 -3.021 1.00 0.00 H new ATOM 419 N GLY A 23 -17.289 3.846 -4.262 1.00 0.00 N ATOM 420 CA GLY A 23 -17.041 5.194 -4.659 1.00 0.00 C ATOM 421 C GLY A 23 -15.571 5.502 -4.634 1.00 0.00 C ATOM 422 O GLY A 23 -14.753 4.580 -4.512 1.00 0.00 O ATOM 0 H GLY A 23 -16.726 3.526 -3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -17.434 5.359 -5.662 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.570 5.876 -3.993 1.00 0.00 H new ATOM 426 N PRO A 24 -15.193 6.776 -4.758 1.00 0.00 N ATOM 427 CA PRO A 24 -13.797 7.184 -4.730 1.00 0.00 C ATOM 428 C PRO A 24 -13.185 7.000 -3.345 1.00 0.00 C ATOM 429 O PRO A 24 -13.839 7.256 -2.306 1.00 0.00 O ATOM 430 CB PRO A 24 -13.836 8.678 -5.103 1.00 0.00 C ATOM 431 CG PRO A 24 -15.207 8.913 -5.638 1.00 0.00 C ATOM 432 CD PRO A 24 -16.090 7.921 -4.952 1.00 0.00 C ATOM 0 HA PRO A 24 -13.185 6.588 -5.407 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.640 9.306 -4.234 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.077 8.918 -5.847 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.535 9.933 -5.437 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.233 8.777 -6.719 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -16.470 8.303 -4.005 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.956 7.660 -5.561 1.00 0.00 H new ATOM 440 N ILE A 25 -11.959 6.577 -3.319 1.00 0.00 N ATOM 441 CA ILE A 25 -11.237 6.345 -2.093 1.00 0.00 C ATOM 442 C ILE A 25 -10.016 7.253 -2.012 1.00 0.00 C ATOM 443 O ILE A 25 -9.595 7.806 -3.031 1.00 0.00 O ATOM 444 CB ILE A 25 -10.878 4.823 -1.903 1.00 0.00 C ATOM 445 CG1 ILE A 25 -10.242 4.170 -3.165 1.00 0.00 C ATOM 446 CG2 ILE A 25 -12.104 4.031 -1.468 1.00 0.00 C ATOM 447 CD1 ILE A 25 -8.836 4.618 -3.497 1.00 0.00 C ATOM 0 H ILE A 25 -11.417 6.378 -4.160 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.889 6.603 -1.258 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.121 4.791 -1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.236 3.089 -3.028 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.882 4.380 -4.022 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.834 2.982 -1.343 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.475 4.426 -0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.881 4.117 -2.227 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.491 4.101 -4.393 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.829 5.694 -3.673 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.173 4.383 -2.664 1.00 0.00 H new ATOM 459 N GLN A 26 -9.483 7.460 -0.827 1.00 0.00 N ATOM 460 CA GLN A 26 -8.305 8.299 -0.681 1.00 0.00 C ATOM 461 C GLN A 26 -7.087 7.474 -0.289 1.00 0.00 C ATOM 462 O GLN A 26 -6.454 6.897 -1.154 1.00 0.00 O ATOM 463 CB GLN A 26 -8.534 9.443 0.310 1.00 0.00 C ATOM 464 CG GLN A 26 -9.613 10.419 -0.108 1.00 0.00 C ATOM 465 CD GLN A 26 -9.825 11.513 0.909 1.00 0.00 C ATOM 466 OE1 GLN A 26 -9.184 12.565 0.855 1.00 0.00 O ATOM 467 NE2 GLN A 26 -10.716 11.287 1.837 1.00 0.00 N ATOM 0 H GLN A 26 -9.839 7.065 0.043 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.111 8.749 -1.655 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.797 9.021 1.280 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.599 9.987 0.442 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.345 10.864 -1.066 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.548 9.880 -0.258 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.227 10.404 1.849 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.901 11.993 2.549 1.00 0.00 H new ATOM 476 N VAL A 27 -6.834 7.385 1.028 1.00 0.00 N ATOM 477 CA VAL A 27 -5.713 6.661 1.692 1.00 0.00 C ATOM 478 C VAL A 27 -5.688 7.008 3.153 1.00 0.00 C ATOM 479 O VAL A 27 -6.099 8.108 3.552 1.00 0.00 O ATOM 480 CB VAL A 27 -4.252 6.949 1.165 1.00 0.00 C ATOM 481 CG1 VAL A 27 -3.859 6.062 0.014 1.00 0.00 C ATOM 482 CG2 VAL A 27 -4.044 8.418 0.818 1.00 0.00 C ATOM 0 H VAL A 27 -7.440 7.843 1.709 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.933 5.617 1.467 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.588 6.707 1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.846 6.307 -0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.899 5.019 0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.548 6.217 -0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.025 8.567 0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.748 8.711 0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.210 9.029 1.706 1.00 0.00 H new ATOM 492 N ILE A 28 -5.245 6.082 3.951 1.00 0.00 N ATOM 493 CA ILE A 28 -5.027 6.347 5.360 1.00 0.00 C ATOM 494 C ILE A 28 -3.519 6.345 5.642 1.00 0.00 C ATOM 495 O ILE A 28 -2.999 7.206 6.361 1.00 0.00 O ATOM 496 CB ILE A 28 -5.760 5.321 6.290 1.00 0.00 C ATOM 497 CG1 ILE A 28 -7.273 5.356 6.051 1.00 0.00 C ATOM 498 CG2 ILE A 28 -5.464 5.593 7.766 1.00 0.00 C ATOM 499 CD1 ILE A 28 -7.921 6.702 6.323 1.00 0.00 C ATOM 0 H ILE A 28 -5.024 5.130 3.658 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.452 7.325 5.586 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.382 4.330 6.040 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.472 5.073 5.017 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.746 4.605 6.683 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.988 4.863 8.383 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.391 5.514 7.943 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.801 6.596 8.026 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.991 6.636 6.128 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.758 6.981 7.364 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.480 7.457 5.672 1.00 0.00 H new ATOM 511 N HIS A 29 -2.819 5.387 5.054 1.00 0.00 N ATOM 512 CA HIS A 29 -1.364 5.248 5.205 1.00 0.00 C ATOM 513 C HIS A 29 -0.804 4.566 3.993 1.00 0.00 C ATOM 514 O HIS A 29 -1.550 4.143 3.110 1.00 0.00 O ATOM 515 CB HIS A 29 -0.953 4.371 6.431 1.00 0.00 C ATOM 516 CG HIS A 29 -1.147 4.945 7.787 1.00 0.00 C ATOM 517 ND1 HIS A 29 -0.151 5.575 8.477 1.00 0.00 N ATOM 518 CD2 HIS A 29 -2.213 4.950 8.593 1.00 0.00 C ATOM 519 CE1 HIS A 29 -0.600 5.948 9.640 1.00 0.00 C ATOM 520 NE2 HIS A 29 -1.846 5.584 9.739 1.00 0.00 N ATOM 0 H HIS A 29 -3.239 4.677 4.454 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.977 6.257 5.344 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -1.514 3.438 6.379 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.101 4.116 6.323 1.00 0.00 H new ATOM 0 HD1 HIS A 29 0.797 5.729 8.134 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.184 4.530 8.375 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.034 6.472 10.396 1.00 0.00 H new ATOM 529 N LEU A 30 0.489 4.440 3.966 1.00 0.00 N ATOM 530 CA LEU A 30 1.157 3.662 2.975 1.00 0.00 C ATOM 531 C LEU A 30 1.614 2.399 3.630 1.00 0.00 C ATOM 532 O LEU A 30 2.049 2.410 4.791 1.00 0.00 O ATOM 533 CB LEU A 30 2.374 4.382 2.354 1.00 0.00 C ATOM 534 CG LEU A 30 2.109 5.504 1.339 1.00 0.00 C ATOM 535 CD1 LEU A 30 1.405 6.689 1.962 1.00 0.00 C ATOM 536 CD2 LEU A 30 3.409 5.935 0.682 1.00 0.00 C ATOM 0 H LEU A 30 1.114 4.881 4.641 1.00 0.00 H new ATOM 0 HA LEU A 30 0.459 3.476 2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.965 4.801 3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.993 3.630 1.866 1.00 0.00 H new ATOM 0 HG LEU A 30 1.440 5.104 0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.241 7.455 1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.446 6.370 2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.021 7.098 2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.208 6.731 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.098 6.299 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.855 5.085 0.165 1.00 0.00 H new ATOM 548 N ALA A 31 1.443 1.333 2.954 1.00 0.00 N ATOM 549 CA ALA A 31 1.923 0.066 3.389 1.00 0.00 C ATOM 550 C ALA A 31 3.020 -0.379 2.443 1.00 0.00 C ATOM 551 O ALA A 31 3.255 0.226 1.413 1.00 0.00 O ATOM 552 CB ALA A 31 0.780 -0.926 3.411 1.00 0.00 C ATOM 0 H ALA A 31 0.954 1.306 2.059 1.00 0.00 H new ATOM 0 HA ALA A 31 2.329 0.131 4.398 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.147 -1.897 3.744 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.007 -0.576 4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.361 -1.021 2.409 1.00 0.00 H new ATOM 558 N LYS A 32 3.700 -1.368 2.800 1.00 0.00 N ATOM 559 CA LYS A 32 4.689 -1.927 1.994 1.00 0.00 C ATOM 560 C LYS A 32 4.738 -3.341 2.364 1.00 0.00 C ATOM 561 O LYS A 32 5.115 -3.701 3.480 1.00 0.00 O ATOM 562 CB LYS A 32 6.063 -1.187 2.021 1.00 0.00 C ATOM 563 CG LYS A 32 6.827 -1.147 3.329 1.00 0.00 C ATOM 564 CD LYS A 32 8.046 -0.246 3.180 1.00 0.00 C ATOM 565 CE LYS A 32 8.956 -0.293 4.389 1.00 0.00 C ATOM 566 NZ LYS A 32 9.680 -1.577 4.499 1.00 0.00 N ATOM 0 H LYS A 32 3.584 -1.836 3.699 1.00 0.00 H new ATOM 0 HA LYS A 32 4.436 -1.813 0.940 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.706 -1.651 1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.894 -0.158 1.702 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.183 -0.776 4.127 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.138 -2.153 3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.608 -0.545 2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.717 0.780 3.017 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.676 0.523 4.330 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.366 -0.133 5.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.012 -1.706 5.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.042 -2.358 4.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.496 -1.572 3.854 1.00 0.00 H new ATOM 580 N ALA A 33 4.172 -4.103 1.522 1.00 0.00 N ATOM 581 CA ALA A 33 4.065 -5.507 1.699 1.00 0.00 C ATOM 582 C ALA A 33 5.447 -6.094 1.830 1.00 0.00 C ATOM 583 O ALA A 33 6.348 -5.718 1.088 1.00 0.00 O ATOM 584 CB ALA A 33 3.280 -6.096 0.540 1.00 0.00 C ATOM 0 H ALA A 33 3.752 -3.765 0.656 1.00 0.00 H new ATOM 0 HA ALA A 33 3.523 -5.749 2.613 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.194 -7.175 0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.284 -5.653 0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.797 -5.883 -0.395 1.00 0.00 H new ATOM 590 N CYS A 34 5.639 -6.921 2.811 1.00 0.00 N ATOM 591 CA CYS A 34 6.921 -7.517 3.028 1.00 0.00 C ATOM 592 C CYS A 34 6.852 -8.947 2.846 1.00 0.00 C ATOM 593 O CYS A 34 5.800 -9.573 3.070 1.00 0.00 O ATOM 594 CB CYS A 34 7.465 -7.318 4.454 1.00 0.00 C ATOM 595 SG CYS A 34 9.101 -8.204 4.757 1.00 0.00 S ATOM 0 H CYS A 34 4.919 -7.200 3.478 1.00 0.00 H new ATOM 0 HA CYS A 34 7.576 -7.024 2.309 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.597 -6.252 4.640 1.00 0.00 H new ATOM 0 HB3 CYS A 34 6.727 -7.677 5.171 1.00 0.00 H new ATOM 600 N CYS A 35 7.984 -9.473 2.441 1.00 0.00 N ATOM 601 CA CYS A 35 8.264 -10.848 2.508 1.00 0.00 C ATOM 602 C CYS A 35 7.378 -11.631 1.508 1.00 0.00 C ATOM 603 O CYS A 35 6.594 -11.043 0.749 1.00 0.00 O ATOM 604 CB CYS A 35 8.022 -11.287 3.984 1.00 0.00 C ATOM 605 SG CYS A 35 8.712 -10.178 5.385 1.00 0.00 S ATOM 0 H CYS A 35 8.745 -8.920 2.047 1.00 0.00 H new ATOM 0 HA CYS A 35 9.295 -11.061 2.226 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.946 -11.378 4.132 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.447 -12.283 4.109 1.00 0.00 H new ATOM 610 N ASP A 36 7.550 -12.914 1.438 1.00 0.00 N ATOM 611 CA ASP A 36 6.676 -13.731 0.606 1.00 0.00 C ATOM 612 C ASP A 36 5.407 -14.037 1.366 1.00 0.00 C ATOM 613 O ASP A 36 5.418 -14.807 2.341 1.00 0.00 O ATOM 614 CB ASP A 36 7.360 -15.017 0.154 1.00 0.00 C ATOM 615 CG ASP A 36 6.431 -15.920 -0.639 1.00 0.00 C ATOM 616 OD1 ASP A 36 6.235 -15.697 -1.852 1.00 0.00 O ATOM 617 OD2 ASP A 36 5.885 -16.877 -0.066 1.00 0.00 O ATOM 0 H ASP A 36 8.276 -13.429 1.936 1.00 0.00 H new ATOM 0 HA ASP A 36 6.435 -13.168 -0.296 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.228 -14.768 -0.456 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.728 -15.556 1.027 1.00 0.00 H new ATOM 622 N VAL A 37 4.333 -13.417 0.954 1.00 0.00 N ATOM 623 CA VAL A 37 3.054 -13.556 1.625 1.00 0.00 C ATOM 624 C VAL A 37 2.213 -14.551 0.882 1.00 0.00 C ATOM 625 O VAL A 37 2.471 -14.804 -0.312 1.00 0.00 O ATOM 626 CB VAL A 37 2.269 -12.217 1.715 1.00 0.00 C ATOM 627 CG1 VAL A 37 3.125 -11.113 2.281 1.00 0.00 C ATOM 628 CG2 VAL A 37 1.682 -11.812 0.376 1.00 0.00 C ATOM 0 H VAL A 37 4.313 -12.799 0.143 1.00 0.00 H new ATOM 0 HA VAL A 37 3.262 -13.888 2.642 1.00 0.00 H new ATOM 0 HB VAL A 37 1.438 -12.384 2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.545 -10.191 2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.456 -11.387 3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.994 -10.961 1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.142 -10.871 0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.485 -11.688 -0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.997 -12.586 0.030 1.00 0.00 H new ATOM 638 N LYS A 38 1.269 -15.179 1.565 1.00 0.00 N ATOM 639 CA LYS A 38 0.353 -16.068 0.890 1.00 0.00 C ATOM 640 C LYS A 38 -0.384 -15.350 -0.232 1.00 0.00 C ATOM 641 O LYS A 38 -0.353 -15.820 -1.377 1.00 0.00 O ATOM 642 CB LYS A 38 -0.616 -16.798 1.845 1.00 0.00 C ATOM 643 CG LYS A 38 -1.454 -15.898 2.737 1.00 0.00 C ATOM 644 CD LYS A 38 -2.488 -16.682 3.532 1.00 0.00 C ATOM 645 CE LYS A 38 -1.847 -17.718 4.442 1.00 0.00 C ATOM 646 NZ LYS A 38 -2.856 -18.442 5.246 1.00 0.00 N ATOM 0 H LYS A 38 1.122 -15.089 2.570 1.00 0.00 H new ATOM 0 HA LYS A 38 0.963 -16.853 0.444 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.287 -17.418 1.250 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.037 -17.471 2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.801 -15.360 3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.959 -15.150 2.125 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.083 -15.992 4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.173 -17.179 2.844 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.282 -18.430 3.841 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.136 -17.228 5.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.380 -19.139 5.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.378 -17.765 5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.520 -18.931 4.612 1.00 0.00 H new ATOM 660 N GLY A 39 -0.967 -14.168 0.068 1.00 0.00 N ATOM 661 CA GLY A 39 -1.697 -13.418 -0.961 1.00 0.00 C ATOM 662 C GLY A 39 -2.763 -14.279 -1.616 1.00 0.00 C ATOM 663 O GLY A 39 -2.923 -14.254 -2.849 1.00 0.00 O ATOM 0 H GLY A 39 -0.945 -13.728 0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.160 -12.539 -0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.999 -13.060 -1.718 1.00 0.00 H new ATOM 667 N GLY A 40 -3.442 -15.047 -0.783 1.00 0.00 N ATOM 668 CA GLY A 40 -4.350 -16.091 -1.219 1.00 0.00 C ATOM 669 C GLY A 40 -5.548 -15.653 -2.042 1.00 0.00 C ATOM 670 O GLY A 40 -5.439 -15.389 -3.254 1.00 0.00 O ATOM 0 H GLY A 40 -3.377 -14.961 0.231 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.781 -16.814 -1.804 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.717 -16.614 -0.336 1.00 0.00 H new ATOM 674 N LYS A 41 -6.692 -15.592 -1.416 1.00 0.00 N ATOM 675 CA LYS A 41 -7.919 -15.358 -2.144 1.00 0.00 C ATOM 676 C LYS A 41 -8.359 -13.913 -2.103 1.00 0.00 C ATOM 677 O LYS A 41 -8.539 -13.282 -3.150 1.00 0.00 O ATOM 678 CB LYS A 41 -9.020 -16.295 -1.648 1.00 0.00 C ATOM 679 CG LYS A 41 -8.693 -17.765 -1.881 1.00 0.00 C ATOM 680 CD LYS A 41 -9.789 -18.698 -1.384 1.00 0.00 C ATOM 681 CE LYS A 41 -11.125 -18.465 -2.085 1.00 0.00 C ATOM 682 NZ LYS A 41 -11.048 -18.600 -3.556 1.00 0.00 N ATOM 0 H LYS A 41 -6.805 -15.700 -0.408 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.719 -15.580 -3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.181 -16.128 -0.583 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.954 -16.051 -2.154 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.534 -17.933 -2.946 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.758 -18.009 -1.377 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.478 -19.731 -1.538 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.918 -18.561 -0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.857 -19.175 -1.700 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.488 -17.467 -1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.005 -18.548 -3.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.466 -17.831 -3.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.619 -19.516 -3.799 1.00 0.00 H new ATOM 696 N ASN A 42 -8.475 -13.367 -0.923 1.00 0.00 N ATOM 697 CA ASN A 42 -8.934 -11.988 -0.790 1.00 0.00 C ATOM 698 C ASN A 42 -7.775 -11.039 -0.687 1.00 0.00 C ATOM 699 O ASN A 42 -7.954 -9.833 -0.663 1.00 0.00 O ATOM 700 CB ASN A 42 -9.921 -11.781 0.393 1.00 0.00 C ATOM 701 CG ASN A 42 -9.393 -12.195 1.773 1.00 0.00 C ATOM 702 OD1 ASN A 42 -8.197 -12.179 2.047 1.00 0.00 O ATOM 703 ND2 ASN A 42 -10.293 -12.545 2.652 1.00 0.00 N ATOM 0 H ASN A 42 -8.264 -13.838 -0.043 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.491 -11.766 -1.701 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.200 -10.728 0.431 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.831 -12.345 0.187 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.008 -12.814 3.594 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.281 -12.549 2.397 1.00 0.00 H new ATOM 710 N GLU A 43 -6.596 -11.577 -0.740 1.00 0.00 N ATOM 711 CA GLU A 43 -5.415 -10.796 -0.541 1.00 0.00 C ATOM 712 C GLU A 43 -4.902 -10.252 -1.840 1.00 0.00 C ATOM 713 O GLU A 43 -5.118 -10.839 -2.914 1.00 0.00 O ATOM 714 CB GLU A 43 -4.344 -11.621 0.132 1.00 0.00 C ATOM 715 CG GLU A 43 -4.646 -11.993 1.559 1.00 0.00 C ATOM 716 CD GLU A 43 -3.748 -13.087 2.048 1.00 0.00 C ATOM 717 OE1 GLU A 43 -2.561 -12.834 2.342 1.00 0.00 O ATOM 718 OE2 GLU A 43 -4.226 -14.240 2.129 1.00 0.00 O ATOM 0 H GLU A 43 -6.425 -12.566 -0.922 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.674 -9.956 0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.191 -12.534 -0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.406 -11.067 0.105 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.531 -11.116 2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.685 -12.312 1.640 1.00 0.00 H new ATOM 725 N LEU A 44 -4.251 -9.122 -1.740 1.00 0.00 N ATOM 726 CA LEU A 44 -3.693 -8.427 -2.873 1.00 0.00 C ATOM 727 C LEU A 44 -2.569 -9.254 -3.444 1.00 0.00 C ATOM 728 O LEU A 44 -1.836 -9.940 -2.708 1.00 0.00 O ATOM 729 CB LEU A 44 -3.112 -7.081 -2.423 1.00 0.00 C ATOM 730 CG LEU A 44 -3.306 -5.855 -3.329 1.00 0.00 C ATOM 731 CD1 LEU A 44 -2.793 -4.603 -2.633 1.00 0.00 C ATOM 732 CD2 LEU A 44 -2.615 -6.035 -4.658 1.00 0.00 C ATOM 0 H LEU A 44 -4.090 -8.649 -0.851 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.474 -8.265 -3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.541 -6.844 -1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.041 -7.216 -2.274 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.373 -5.746 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.935 -3.741 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.343 -4.452 -1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.732 -4.719 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.773 -5.149 -5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.547 -6.178 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.025 -6.908 -5.166 1.00 0.00 H new ATOM 744 N SER A 45 -2.415 -9.176 -4.715 1.00 0.00 N ATOM 745 CA SER A 45 -1.343 -9.842 -5.386 1.00 0.00 C ATOM 746 C SER A 45 -0.103 -8.946 -5.293 1.00 0.00 C ATOM 747 O SER A 45 0.292 -8.267 -6.251 1.00 0.00 O ATOM 748 CB SER A 45 -1.720 -10.118 -6.840 1.00 0.00 C ATOM 749 OG SER A 45 -3.043 -10.683 -6.922 1.00 0.00 O ATOM 0 H SER A 45 -3.031 -8.645 -5.331 1.00 0.00 H new ATOM 0 HA SER A 45 -1.135 -10.805 -4.919 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.678 -9.193 -7.414 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.998 -10.803 -7.285 1.00 0.00 H new ATOM 0 HG SER A 45 -3.269 -10.852 -7.861 1.00 0.00 H new ATOM 755 N PHE A 46 0.429 -8.859 -4.102 1.00 0.00 N ATOM 756 CA PHE A 46 1.572 -8.049 -3.860 1.00 0.00 C ATOM 757 C PHE A 46 2.781 -8.883 -3.524 1.00 0.00 C ATOM 758 O PHE A 46 2.710 -10.126 -3.461 1.00 0.00 O ATOM 759 CB PHE A 46 1.310 -6.921 -2.821 1.00 0.00 C ATOM 760 CG PHE A 46 0.748 -7.342 -1.479 1.00 0.00 C ATOM 761 CD1 PHE A 46 1.249 -8.420 -0.787 1.00 0.00 C ATOM 762 CD2 PHE A 46 -0.281 -6.632 -0.911 1.00 0.00 C ATOM 763 CE1 PHE A 46 0.732 -8.777 0.431 1.00 0.00 C ATOM 764 CE2 PHE A 46 -0.797 -6.993 0.315 1.00 0.00 C ATOM 765 CZ PHE A 46 -0.284 -8.069 0.981 1.00 0.00 C ATOM 0 H PHE A 46 0.076 -9.350 -3.281 1.00 0.00 H new ATOM 0 HA PHE A 46 1.792 -7.533 -4.794 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.249 -6.396 -2.646 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.622 -6.203 -3.267 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.061 -8.993 -1.209 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.691 -5.779 -1.432 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.137 -9.629 0.956 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.607 -6.425 0.749 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.686 -8.354 1.942 1.00 0.00 H new ATOM 775 N LYS A 47 3.858 -8.216 -3.287 1.00 0.00 N ATOM 776 CA LYS A 47 5.124 -8.830 -3.086 1.00 0.00 C ATOM 777 C LYS A 47 5.852 -8.186 -1.910 1.00 0.00 C ATOM 778 O LYS A 47 5.362 -7.278 -1.293 1.00 0.00 O ATOM 779 CB LYS A 47 5.968 -8.717 -4.366 1.00 0.00 C ATOM 780 CG LYS A 47 5.413 -9.461 -5.563 1.00 0.00 C ATOM 781 CD LYS A 47 6.262 -9.191 -6.796 1.00 0.00 C ATOM 782 CE LYS A 47 7.705 -9.625 -6.589 1.00 0.00 C ATOM 783 NZ LYS A 47 8.554 -9.300 -7.748 1.00 0.00 N ATOM 0 H LYS A 47 3.882 -7.198 -3.226 1.00 0.00 H new ATOM 0 HA LYS A 47 4.970 -9.884 -2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.068 -7.663 -4.626 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.970 -9.091 -4.157 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.391 -10.531 -5.356 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.384 -9.151 -5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.841 -9.720 -7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.232 -8.128 -7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.105 -9.138 -5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.737 -10.699 -6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.528 -9.613 -7.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.189 -9.784 -8.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.545 -8.272 -7.907 1.00 0.00 H new ATOM 797 N GLN A 48 7.053 -8.604 -1.759 1.00 0.00 N ATOM 798 CA GLN A 48 7.967 -8.365 -0.644 1.00 0.00 C ATOM 799 C GLN A 48 8.505 -6.929 -0.553 1.00 0.00 C ATOM 800 O GLN A 48 9.048 -6.508 0.475 1.00 0.00 O ATOM 801 CB GLN A 48 9.108 -9.392 -0.791 1.00 0.00 C ATOM 802 CG GLN A 48 10.376 -9.059 -0.064 1.00 0.00 C ATOM 803 CD GLN A 48 11.349 -10.203 -0.047 1.00 0.00 C ATOM 804 OE1 GLN A 48 11.352 -11.021 0.876 1.00 0.00 O ATOM 805 NE2 GLN A 48 12.150 -10.300 -1.070 1.00 0.00 N ATOM 0 H GLN A 48 7.490 -9.185 -2.474 1.00 0.00 H new ATOM 0 HA GLN A 48 7.423 -8.488 0.292 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.750 -10.359 -0.437 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.337 -9.505 -1.851 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.845 -8.195 -0.535 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.139 -8.773 0.961 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.116 -9.602 -1.813 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.812 -11.074 -1.128 1.00 0.00 H new ATOM 814 N GLY A 49 8.298 -6.208 -1.564 1.00 0.00 N ATOM 815 CA GLY A 49 8.829 -4.870 -1.667 1.00 0.00 C ATOM 816 C GLY A 49 7.854 -3.972 -2.349 1.00 0.00 C ATOM 817 O GLY A 49 8.207 -2.905 -2.877 1.00 0.00 O ATOM 0 H GLY A 49 7.751 -6.506 -2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.054 -4.484 -0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.767 -4.886 -2.222 1.00 0.00 H new ATOM 821 N GLU A 50 6.633 -4.413 -2.356 1.00 0.00 N ATOM 822 CA GLU A 50 5.564 -3.726 -3.008 1.00 0.00 C ATOM 823 C GLU A 50 5.063 -2.567 -2.189 1.00 0.00 C ATOM 824 O GLU A 50 4.678 -2.716 -1.023 1.00 0.00 O ATOM 825 CB GLU A 50 4.464 -4.704 -3.331 1.00 0.00 C ATOM 826 CG GLU A 50 4.727 -5.527 -4.575 1.00 0.00 C ATOM 827 CD GLU A 50 4.747 -4.716 -5.838 1.00 0.00 C ATOM 828 OE1 GLU A 50 5.764 -4.065 -6.130 1.00 0.00 O ATOM 829 OE2 GLU A 50 3.742 -4.724 -6.578 1.00 0.00 O ATOM 0 H GLU A 50 6.348 -5.279 -1.899 1.00 0.00 H new ATOM 0 HA GLU A 50 5.936 -3.300 -3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.327 -5.376 -2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.530 -4.157 -3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.683 -6.039 -4.467 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.961 -6.297 -4.660 1.00 0.00 H new ATOM 836 N GLN A 51 5.018 -1.435 -2.822 1.00 0.00 N ATOM 837 CA GLN A 51 4.649 -0.217 -2.203 1.00 0.00 C ATOM 838 C GLN A 51 3.218 0.007 -2.513 1.00 0.00 C ATOM 839 O GLN A 51 2.825 0.455 -3.592 1.00 0.00 O ATOM 840 CB GLN A 51 5.509 0.943 -2.716 1.00 0.00 C ATOM 841 CG GLN A 51 6.992 0.725 -2.491 1.00 0.00 C ATOM 842 CD GLN A 51 7.858 1.859 -2.996 1.00 0.00 C ATOM 843 OE1 GLN A 51 8.284 1.869 -4.149 1.00 0.00 O ATOM 844 NE2 GLN A 51 8.146 2.799 -2.150 1.00 0.00 N ATOM 0 H GLN A 51 5.245 -1.340 -3.812 1.00 0.00 H new ATOM 0 HA GLN A 51 4.807 -0.269 -1.126 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.325 1.081 -3.781 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.203 1.863 -2.218 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.172 0.589 -1.425 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.293 -0.198 -2.985 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.776 2.761 -1.200 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.742 3.576 -2.435 1.00 0.00 H new ATOM 853 N ILE A 52 2.476 -0.384 -1.599 1.00 0.00 N ATOM 854 CA ILE A 52 1.042 -0.301 -1.626 1.00 0.00 C ATOM 855 C ILE A 52 0.501 0.772 -0.677 1.00 0.00 C ATOM 856 O ILE A 52 1.165 1.203 0.226 1.00 0.00 O ATOM 857 CB ILE A 52 0.443 -1.658 -1.246 1.00 0.00 C ATOM 858 CG1 ILE A 52 0.917 -2.078 0.114 1.00 0.00 C ATOM 859 CG2 ILE A 52 0.860 -2.703 -2.242 1.00 0.00 C ATOM 860 CD1 ILE A 52 0.332 -3.356 0.545 1.00 0.00 C ATOM 0 H ILE A 52 2.836 -0.803 -0.742 1.00 0.00 H new ATOM 0 HA ILE A 52 0.752 -0.023 -2.639 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.643 -1.560 -1.241 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.004 -2.164 0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.664 -1.304 0.838 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.429 -3.664 -1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.507 -2.421 -3.234 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.947 -2.782 -2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.708 -3.613 1.535 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.754 -3.265 0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.607 -4.139 -0.162 1.00 0.00 H new ATOM 872 N GLU A 53 -0.677 1.234 -0.910 1.00 0.00 N ATOM 873 CA GLU A 53 -1.270 2.173 0.019 1.00 0.00 C ATOM 874 C GLU A 53 -2.584 1.629 0.507 1.00 0.00 C ATOM 875 O GLU A 53 -3.367 1.126 -0.288 1.00 0.00 O ATOM 876 CB GLU A 53 -1.474 3.556 -0.603 1.00 0.00 C ATOM 877 CG GLU A 53 -0.213 4.248 -1.087 1.00 0.00 C ATOM 878 CD GLU A 53 -0.501 5.608 -1.684 1.00 0.00 C ATOM 879 OE1 GLU A 53 -0.871 5.681 -2.877 1.00 0.00 O ATOM 880 OE2 GLU A 53 -0.374 6.636 -0.985 1.00 0.00 O ATOM 0 H GLU A 53 -1.253 0.992 -1.717 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.580 2.296 0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.160 3.459 -1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.960 4.197 0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.481 4.358 -0.254 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.279 3.623 -1.832 1.00 0.00 H new ATOM 887 N ILE A 54 -2.816 1.681 1.806 1.00 0.00 N ATOM 888 CA ILE A 54 -4.108 1.217 2.327 1.00 0.00 C ATOM 889 C ILE A 54 -5.058 2.388 2.525 1.00 0.00 C ATOM 890 O ILE A 54 -4.665 3.481 2.987 1.00 0.00 O ATOM 891 CB ILE A 54 -4.070 0.317 3.632 1.00 0.00 C ATOM 892 CG1 ILE A 54 -3.841 1.120 4.916 1.00 0.00 C ATOM 893 CG2 ILE A 54 -3.000 -0.753 3.520 1.00 0.00 C ATOM 894 CD1 ILE A 54 -2.502 1.754 4.991 1.00 0.00 C ATOM 0 H ILE A 54 -2.159 2.025 2.506 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.471 0.544 1.550 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.056 -0.142 3.701 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.605 1.894 4.991 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.970 0.461 5.774 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.993 -1.357 4.427 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.211 -1.390 2.661 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.026 -0.281 3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.412 2.305 5.927 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.732 0.984 4.948 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.377 2.439 4.153 1.00 0.00 H new ATOM 906 N ILE A 55 -6.283 2.175 2.162 1.00 0.00 N ATOM 907 CA ILE A 55 -7.301 3.190 2.254 1.00 0.00 C ATOM 908 C ILE A 55 -8.320 2.806 3.329 1.00 0.00 C ATOM 909 O ILE A 55 -8.836 3.649 4.042 1.00 0.00 O ATOM 910 CB ILE A 55 -8.062 3.413 0.894 1.00 0.00 C ATOM 911 CG1 ILE A 55 -7.131 3.821 -0.275 1.00 0.00 C ATOM 912 CG2 ILE A 55 -9.170 4.439 1.047 1.00 0.00 C ATOM 913 CD1 ILE A 55 -6.298 2.704 -0.872 1.00 0.00 C ATOM 0 H ILE A 55 -6.615 1.285 1.789 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.795 4.120 2.511 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.492 2.445 0.639 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.741 4.257 -1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.458 4.603 0.077 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.677 4.572 0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.886 4.093 1.793 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.744 5.390 1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.684 3.100 -1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.654 2.279 -0.102 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.956 1.928 -1.263 1.00 0.00 H new ATOM 925 N ARG A 56 -8.586 1.538 3.452 1.00 0.00 N ATOM 926 CA ARG A 56 -9.595 1.086 4.380 1.00 0.00 C ATOM 927 C ARG A 56 -8.971 0.384 5.558 1.00 0.00 C ATOM 928 O ARG A 56 -8.191 -0.553 5.382 1.00 0.00 O ATOM 929 CB ARG A 56 -10.578 0.152 3.675 1.00 0.00 C ATOM 930 CG ARG A 56 -11.680 -0.405 4.565 1.00 0.00 C ATOM 931 CD ARG A 56 -12.586 -1.349 3.788 1.00 0.00 C ATOM 932 NE ARG A 56 -13.261 -0.670 2.683 1.00 0.00 N ATOM 933 CZ ARG A 56 -13.908 -1.274 1.681 1.00 0.00 C ATOM 934 NH1 ARG A 56 -13.959 -2.611 1.599 1.00 0.00 N ATOM 935 NH2 ARG A 56 -14.502 -0.544 0.750 1.00 0.00 N ATOM 0 H ARG A 56 -8.123 0.797 2.926 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.132 1.960 4.749 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.037 0.690 2.846 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.021 -0.681 3.245 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.238 -0.933 5.410 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.270 0.415 4.975 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.997 -2.179 3.398 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.330 -1.775 4.461 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.236 0.350 2.676 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.500 -3.183 2.308 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.457 -3.056 0.828 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.465 0.474 0.799 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.997 -1.000 -0.017 1.00 0.00 H new ATOM 949 N ILE A 57 -9.309 0.846 6.737 1.00 0.00 N ATOM 950 CA ILE A 57 -8.894 0.229 7.972 1.00 0.00 C ATOM 951 C ILE A 57 -10.111 -0.523 8.429 1.00 0.00 C ATOM 952 O ILE A 57 -11.112 0.082 8.843 1.00 0.00 O ATOM 953 CB ILE A 57 -8.489 1.276 9.056 1.00 0.00 C ATOM 954 CG1 ILE A 57 -7.413 2.250 8.525 1.00 0.00 C ATOM 955 CG2 ILE A 57 -8.016 0.588 10.335 1.00 0.00 C ATOM 956 CD1 ILE A 57 -6.124 1.591 8.068 1.00 0.00 C ATOM 0 H ILE A 57 -9.889 1.675 6.867 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.015 -0.398 7.823 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.377 1.861 9.295 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.832 2.812 7.690 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.178 2.971 9.308 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.740 1.341 11.073 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.819 -0.032 10.733 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.151 -0.037 10.113 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.431 2.354 7.713 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.675 1.053 8.903 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.339 0.892 7.260 1.00 0.00 H new ATOM 968 N THR A 58 -10.079 -1.792 8.270 1.00 0.00 N ATOM 969 CA THR A 58 -11.245 -2.572 8.464 1.00 0.00 C ATOM 970 C THR A 58 -11.224 -3.399 9.750 1.00 0.00 C ATOM 971 O THR A 58 -10.183 -3.938 10.163 1.00 0.00 O ATOM 972 CB THR A 58 -11.422 -3.491 7.263 1.00 0.00 C ATOM 973 OG1 THR A 58 -10.551 -3.045 6.200 1.00 0.00 O ATOM 974 CG2 THR A 58 -12.830 -3.397 6.775 1.00 0.00 C ATOM 0 H THR A 58 -9.248 -2.320 8.003 1.00 0.00 H new ATOM 0 HA THR A 58 -12.083 -1.882 8.563 1.00 0.00 H new ATOM 0 HB THR A 58 -11.187 -4.516 7.551 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.240 -3.819 5.685 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.962 -4.053 5.915 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.512 -3.700 7.570 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.046 -2.369 6.483 1.00 0.00 H new ATOM 1037 N GLY A 63 -10.877 -9.019 8.605 1.00 0.00 N ATOM 1038 CA GLY A 63 -9.958 -8.096 9.230 1.00 0.00 C ATOM 1039 C GLY A 63 -8.846 -7.670 8.325 1.00 0.00 C ATOM 1040 O GLY A 63 -7.729 -7.417 8.770 1.00 0.00 O ATOM 0 HA2 GLY A 63 -10.507 -7.214 9.561 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.535 -8.561 10.121 1.00 0.00 H new ATOM 1044 N LYS A 64 -9.133 -7.596 7.066 1.00 0.00 N ATOM 1045 CA LYS A 64 -8.136 -7.272 6.105 1.00 0.00 C ATOM 1046 C LYS A 64 -8.283 -5.840 5.695 1.00 0.00 C ATOM 1047 O LYS A 64 -9.395 -5.323 5.608 1.00 0.00 O ATOM 1048 CB LYS A 64 -8.283 -8.140 4.892 1.00 0.00 C ATOM 1049 CG LYS A 64 -8.245 -9.623 5.133 1.00 0.00 C ATOM 1050 CD LYS A 64 -6.911 -10.081 5.701 1.00 0.00 C ATOM 1051 CE LYS A 64 -6.793 -11.608 5.760 1.00 0.00 C ATOM 1052 NZ LYS A 64 -7.853 -12.252 6.571 1.00 0.00 N ATOM 0 H LYS A 64 -10.062 -7.758 6.678 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.155 -7.436 6.551 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.228 -7.895 4.407 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.489 -7.886 4.190 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.044 -9.898 5.822 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.437 -10.146 4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.102 -9.680 5.090 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.786 -9.671 6.703 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.830 -12.007 4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.819 -11.874 6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.704 -13.281 6.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.817 -11.886 7.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.783 -12.042 6.156 1.00 0.00 H new ATOM 1066 N TRP A 65 -7.194 -5.205 5.434 1.00 0.00 N ATOM 1067 CA TRP A 65 -7.206 -3.811 5.045 1.00 0.00 C ATOM 1068 C TRP A 65 -7.213 -3.673 3.554 1.00 0.00 C ATOM 1069 O TRP A 65 -6.615 -4.466 2.863 1.00 0.00 O ATOM 1070 CB TRP A 65 -6.020 -3.080 5.633 1.00 0.00 C ATOM 1071 CG TRP A 65 -6.132 -2.840 7.101 1.00 0.00 C ATOM 1072 CD1 TRP A 65 -7.158 -3.204 7.930 1.00 0.00 C ATOM 1073 CD2 TRP A 65 -5.191 -2.159 7.905 1.00 0.00 C ATOM 1074 NE1 TRP A 65 -6.908 -2.775 9.201 1.00 0.00 N ATOM 1075 CE2 TRP A 65 -5.696 -2.133 9.217 1.00 0.00 C ATOM 1076 CE3 TRP A 65 -3.963 -1.569 7.637 1.00 0.00 C ATOM 1077 CZ2 TRP A 65 -5.007 -1.527 10.257 1.00 0.00 C ATOM 1078 CZ3 TRP A 65 -3.279 -0.973 8.660 1.00 0.00 C ATOM 1079 CH2 TRP A 65 -3.796 -0.952 9.961 1.00 0.00 C ATOM 0 H TRP A 65 -6.265 -5.623 5.480 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.119 -3.362 5.437 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -5.115 -3.655 5.436 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -5.906 -2.122 5.125 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.037 -3.751 7.623 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.521 -2.909 10.005 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.555 -1.581 6.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -5.407 -1.508 11.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.324 -0.510 8.461 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -3.231 -0.474 10.747 1.00 0.00 H new ATOM 1090 N LEU A 66 -7.897 -2.684 3.056 1.00 0.00 N ATOM 1091 CA LEU A 66 -7.954 -2.481 1.632 1.00 0.00 C ATOM 1092 C LEU A 66 -6.775 -1.649 1.197 1.00 0.00 C ATOM 1093 O LEU A 66 -6.681 -0.454 1.517 1.00 0.00 O ATOM 1094 CB LEU A 66 -9.329 -1.886 1.191 1.00 0.00 C ATOM 1095 CG LEU A 66 -9.575 -1.590 -0.325 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -8.954 -0.268 -0.763 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -9.045 -2.726 -1.193 1.00 0.00 C ATOM 0 H LEU A 66 -8.422 -2.007 3.609 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.883 -3.443 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.107 -2.574 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.474 -0.953 1.736 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.654 -1.510 -0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.151 -0.107 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.389 0.547 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.877 -0.298 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.228 -2.497 -2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.974 -2.841 -1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.554 -3.653 -0.930 1.00 0.00 H new ATOM 1109 N GLY A 67 -5.882 -2.298 0.523 1.00 0.00 N ATOM 1110 CA GLY A 67 -4.719 -1.683 -0.009 1.00 0.00 C ATOM 1111 C GLY A 67 -4.779 -1.668 -1.508 1.00 0.00 C ATOM 1112 O GLY A 67 -5.722 -2.191 -2.092 1.00 0.00 O ATOM 0 H GLY A 67 -5.947 -3.296 0.324 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.633 -0.664 0.369 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.831 -2.222 0.321 1.00 0.00 H new ATOM 1116 N ARG A 68 -3.799 -1.096 -2.116 1.00 0.00 N ATOM 1117 CA ARG A 68 -3.690 -1.012 -3.549 1.00 0.00 C ATOM 1118 C ARG A 68 -2.213 -0.951 -3.898 1.00 0.00 C ATOM 1119 O ARG A 68 -1.460 -0.262 -3.217 1.00 0.00 O ATOM 1120 CB ARG A 68 -4.410 0.248 -4.079 1.00 0.00 C ATOM 1121 CG ARG A 68 -3.771 1.558 -3.629 1.00 0.00 C ATOM 1122 CD ARG A 68 -4.483 2.778 -4.153 1.00 0.00 C ATOM 1123 NE ARG A 68 -3.735 3.993 -3.813 1.00 0.00 N ATOM 1124 CZ ARG A 68 -4.244 5.222 -3.689 1.00 0.00 C ATOM 1125 NH1 ARG A 68 -5.512 5.457 -3.976 1.00 0.00 N ATOM 1126 NH2 ARG A 68 -3.460 6.218 -3.319 1.00 0.00 N ATOM 0 H ARG A 68 -3.021 -0.657 -1.623 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.159 -1.881 -4.010 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.423 0.216 -5.168 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.448 0.228 -3.747 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.758 1.593 -2.540 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.733 1.581 -3.961 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.596 2.704 -5.235 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.486 2.831 -3.730 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.732 3.890 -3.657 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.112 4.697 -4.296 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.891 6.399 -3.878 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.472 6.047 -3.130 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.842 7.159 -3.222 1.00 0.00 H new ATOM 1140 N THR A 69 -1.785 -1.686 -4.894 1.00 0.00 N ATOM 1141 CA THR A 69 -0.399 -1.631 -5.322 1.00 0.00 C ATOM 1142 C THR A 69 -0.121 -0.337 -6.059 1.00 0.00 C ATOM 1143 O THR A 69 -1.053 0.379 -6.449 1.00 0.00 O ATOM 1144 CB THR A 69 -0.027 -2.815 -6.247 1.00 0.00 C ATOM 1145 OG1 THR A 69 -0.977 -2.944 -7.319 1.00 0.00 O ATOM 1146 CG2 THR A 69 0.087 -4.116 -5.481 1.00 0.00 C ATOM 0 H THR A 69 -2.371 -2.330 -5.426 1.00 0.00 H new ATOM 0 HA THR A 69 0.209 -1.690 -4.419 1.00 0.00 H new ATOM 0 HB THR A 69 0.953 -2.597 -6.672 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.723 -3.697 -7.893 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.349 -4.921 -6.168 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.860 -4.023 -4.719 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.867 -4.342 -5.004 1.00 0.00 H new ATOM 1154 N ALA A 70 1.140 -0.072 -6.318 1.00 0.00 N ATOM 1155 CA ALA A 70 1.560 1.102 -7.057 1.00 0.00 C ATOM 1156 C ALA A 70 1.265 0.894 -8.540 1.00 0.00 C ATOM 1157 O ALA A 70 1.416 1.793 -9.353 1.00 0.00 O ATOM 1158 CB ALA A 70 3.051 1.363 -6.829 1.00 0.00 C ATOM 0 H ALA A 70 1.911 -0.669 -6.020 1.00 0.00 H new ATOM 0 HA ALA A 70 1.008 1.974 -6.705 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.355 2.247 -7.389 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.234 1.526 -5.767 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.627 0.502 -7.169 1.00 0.00 H new ATOM 1164 N ARG A 71 0.841 -0.316 -8.878 1.00 0.00 N ATOM 1165 CA ARG A 71 0.502 -0.666 -10.241 1.00 0.00 C ATOM 1166 C ARG A 71 -0.999 -0.468 -10.462 1.00 0.00 C ATOM 1167 O ARG A 71 -1.454 -0.253 -11.584 1.00 0.00 O ATOM 1168 CB ARG A 71 0.895 -2.125 -10.534 1.00 0.00 C ATOM 1169 CG ARG A 71 2.288 -2.501 -10.031 1.00 0.00 C ATOM 1170 CD ARG A 71 3.374 -1.575 -10.563 1.00 0.00 C ATOM 1171 NE ARG A 71 4.659 -1.838 -9.908 1.00 0.00 N ATOM 1172 CZ ARG A 71 5.578 -0.902 -9.597 1.00 0.00 C ATOM 1173 NH1 ARG A 71 5.378 0.378 -9.919 1.00 0.00 N ATOM 1174 NH2 ARG A 71 6.702 -1.253 -8.990 1.00 0.00 N ATOM 0 H ARG A 71 0.724 -1.079 -8.211 1.00 0.00 H new ATOM 0 HA ARG A 71 1.054 -0.018 -10.922 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.162 -2.788 -10.075 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.849 -2.295 -11.610 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.296 -2.475 -8.941 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.513 -3.526 -10.327 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.477 -1.711 -11.640 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.084 -0.537 -10.399 1.00 0.00 H new ATOM 0 HE ARG A 71 4.875 -2.806 -9.669 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.524 0.654 -10.404 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.079 1.080 -9.680 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.872 -2.232 -8.758 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.397 -0.545 -8.755 1.00 0.00 H new ATOM 1188 N GLY A 72 -1.766 -0.541 -9.383 1.00 0.00 N ATOM 1189 CA GLY A 72 -3.193 -0.298 -9.478 1.00 0.00 C ATOM 1190 C GLY A 72 -4.057 -1.510 -9.176 1.00 0.00 C ATOM 1191 O GLY A 72 -5.133 -1.659 -9.742 1.00 0.00 O ATOM 0 H GLY A 72 -1.428 -0.763 -8.447 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.459 0.504 -8.789 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.423 0.056 -10.483 1.00 0.00 H new ATOM 1195 N SER A 73 -3.604 -2.371 -8.308 1.00 0.00 N ATOM 1196 CA SER A 73 -4.380 -3.509 -7.924 1.00 0.00 C ATOM 1197 C SER A 73 -4.775 -3.363 -6.471 1.00 0.00 C ATOM 1198 O SER A 73 -3.916 -3.276 -5.606 1.00 0.00 O ATOM 1199 CB SER A 73 -3.567 -4.784 -8.115 1.00 0.00 C ATOM 1200 OG SER A 73 -3.095 -4.903 -9.458 1.00 0.00 O ATOM 0 H SER A 73 -2.694 -2.302 -7.852 1.00 0.00 H new ATOM 0 HA SER A 73 -5.274 -3.570 -8.545 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.720 -4.784 -7.428 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.180 -5.650 -7.865 1.00 0.00 H new ATOM 0 HG SER A 73 -2.576 -5.729 -9.550 1.00 0.00 H new ATOM 1206 N TYR A 74 -6.048 -3.268 -6.220 1.00 0.00 N ATOM 1207 CA TYR A 74 -6.557 -3.181 -4.859 1.00 0.00 C ATOM 1208 C TYR A 74 -6.663 -4.576 -4.272 1.00 0.00 C ATOM 1209 O TYR A 74 -6.909 -5.540 -5.007 1.00 0.00 O ATOM 1210 CB TYR A 74 -7.930 -2.511 -4.823 1.00 0.00 C ATOM 1211 CG TYR A 74 -7.967 -1.068 -5.288 1.00 0.00 C ATOM 1212 CD1 TYR A 74 -8.049 -0.749 -6.638 1.00 0.00 C ATOM 1213 CD2 TYR A 74 -7.968 -0.027 -4.373 1.00 0.00 C ATOM 1214 CE1 TYR A 74 -8.129 0.556 -7.060 1.00 0.00 C ATOM 1215 CE2 TYR A 74 -8.037 1.285 -4.789 1.00 0.00 C ATOM 1216 CZ TYR A 74 -8.127 1.571 -6.133 1.00 0.00 C ATOM 1217 OH TYR A 74 -8.220 2.877 -6.557 1.00 0.00 O ATOM 0 H TYR A 74 -6.770 -3.248 -6.941 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.865 -2.576 -4.273 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.614 -3.091 -5.442 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.309 -2.555 -3.802 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.050 -1.543 -7.370 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.914 -0.248 -3.317 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.193 0.783 -8.114 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.021 2.085 -4.064 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.734 2.914 -7.391 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.457 -4.701 -2.989 1.00 0.00 N ATOM 1228 CA GLY A 75 -6.547 -6.002 -2.362 1.00 0.00 C ATOM 1229 C GLY A 75 -6.661 -5.928 -0.874 1.00 0.00 C ATOM 1230 O GLY A 75 -6.275 -4.925 -0.274 1.00 0.00 O ATOM 0 H GLY A 75 -6.228 -3.932 -2.360 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.412 -6.532 -2.761 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.666 -6.587 -2.624 1.00 0.00 H new ATOM 1234 N TYR A 76 -7.204 -6.973 -0.272 1.00 0.00 N ATOM 1235 CA TYR A 76 -7.262 -7.072 1.150 1.00 0.00 C ATOM 1236 C TYR A 76 -5.937 -7.543 1.666 1.00 0.00 C ATOM 1237 O TYR A 76 -5.363 -8.495 1.183 1.00 0.00 O ATOM 1238 CB TYR A 76 -8.416 -7.947 1.634 1.00 0.00 C ATOM 1239 CG TYR A 76 -9.709 -7.186 1.878 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -9.683 -5.836 2.209 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -10.942 -7.818 1.821 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -10.838 -5.137 2.467 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -12.110 -7.122 2.087 1.00 0.00 C ATOM 1244 CZ TYR A 76 -12.046 -5.780 2.409 1.00 0.00 C ATOM 1245 OH TYR A 76 -13.201 -5.082 2.695 1.00 0.00 O ATOM 0 H TYR A 76 -7.612 -7.767 -0.766 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.467 -6.081 1.556 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.600 -8.728 0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -8.119 -8.444 2.558 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.733 -5.325 2.265 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.992 -8.866 1.566 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.793 -4.087 2.714 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.065 -7.625 2.043 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.974 -5.679 2.609 1.00 0.00 H new ATOM 1255 N ILE A 77 -5.433 -6.822 2.573 1.00 0.00 N ATOM 1256 CA ILE A 77 -4.146 -7.051 3.107 1.00 0.00 C ATOM 1257 C ILE A 77 -4.229 -7.609 4.494 1.00 0.00 C ATOM 1258 O ILE A 77 -5.011 -7.116 5.320 1.00 0.00 O ATOM 1259 CB ILE A 77 -3.396 -5.707 3.186 1.00 0.00 C ATOM 1260 CG1 ILE A 77 -3.252 -5.095 1.817 1.00 0.00 C ATOM 1261 CG2 ILE A 77 -2.039 -5.894 3.796 1.00 0.00 C ATOM 1262 CD1 ILE A 77 -2.768 -3.689 1.839 1.00 0.00 C ATOM 0 H ILE A 77 -5.915 -6.024 2.987 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.630 -7.762 2.462 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.980 -5.035 3.815 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.560 -5.699 1.230 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.216 -5.130 1.310 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.526 -4.934 3.843 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.145 -6.298 4.803 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.458 -6.586 3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.689 -3.315 0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.471 -3.071 2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.789 -3.649 2.317 1.00 0.00 H new ATOM 1274 N LYS A 78 -3.451 -8.641 4.752 1.00 0.00 N ATOM 1275 CA LYS A 78 -3.255 -9.067 6.102 1.00 0.00 C ATOM 1276 C LYS A 78 -2.406 -7.993 6.725 1.00 0.00 C ATOM 1277 O LYS A 78 -1.349 -7.674 6.188 1.00 0.00 O ATOM 1278 CB LYS A 78 -2.473 -10.358 6.191 1.00 0.00 C ATOM 1279 CG LYS A 78 -3.061 -11.554 5.478 1.00 0.00 C ATOM 1280 CD LYS A 78 -2.205 -12.786 5.733 1.00 0.00 C ATOM 1281 CE LYS A 78 -0.806 -12.646 5.156 1.00 0.00 C ATOM 1282 NZ LYS A 78 0.074 -13.749 5.572 1.00 0.00 N ATOM 0 H LYS A 78 -2.955 -9.187 4.048 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.219 -9.229 6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.474 -10.180 5.792 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.355 -10.613 7.244 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.079 -11.730 5.825 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.119 -11.357 4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.137 -12.962 6.806 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.690 -13.659 5.297 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.864 -12.619 4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.375 -11.698 5.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.938 -13.741 4.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.328 -13.632 6.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.421 -14.655 5.444 1.00 0.00 H new ATOM 1296 N THR A 79 -2.821 -7.464 7.824 1.00 0.00 N ATOM 1297 CA THR A 79 -2.148 -6.327 8.460 1.00 0.00 C ATOM 1298 C THR A 79 -0.670 -6.629 8.828 1.00 0.00 C ATOM 1299 O THR A 79 0.145 -5.720 9.004 1.00 0.00 O ATOM 1300 CB THR A 79 -2.930 -5.904 9.716 1.00 0.00 C ATOM 1301 OG1 THR A 79 -2.942 -6.979 10.663 1.00 0.00 O ATOM 1302 CG2 THR A 79 -4.356 -5.604 9.339 1.00 0.00 C ATOM 0 H THR A 79 -3.643 -7.794 8.330 1.00 0.00 H new ATOM 0 HA THR A 79 -2.130 -5.513 7.735 1.00 0.00 H new ATOM 0 HB THR A 79 -2.453 -5.024 10.148 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.439 -6.706 11.462 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.912 -5.304 10.227 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.377 -4.796 8.608 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.814 -6.495 8.908 1.00 0.00 H new ATOM 1310 N THR A 80 -0.344 -7.898 8.880 1.00 0.00 N ATOM 1311 CA THR A 80 0.960 -8.371 9.249 1.00 0.00 C ATOM 1312 C THR A 80 1.832 -8.545 7.986 1.00 0.00 C ATOM 1313 O THR A 80 3.059 -8.487 8.046 1.00 0.00 O ATOM 1314 CB THR A 80 0.805 -9.720 10.009 1.00 0.00 C ATOM 1315 OG1 THR A 80 2.060 -10.245 10.437 1.00 0.00 O ATOM 1316 CG2 THR A 80 0.077 -10.736 9.143 1.00 0.00 C ATOM 0 H THR A 80 -1.000 -8.648 8.660 1.00 0.00 H new ATOM 0 HA THR A 80 1.453 -7.649 9.900 1.00 0.00 H new ATOM 0 HB THR A 80 0.214 -9.520 10.903 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.916 -11.091 10.911 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.023 -11.674 9.689 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.913 -10.356 8.890 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.644 -10.908 8.228 1.00 0.00 H new ATOM 1324 N ALA A 81 1.166 -8.668 6.829 1.00 0.00 N ATOM 1325 CA ALA A 81 1.844 -8.890 5.554 1.00 0.00 C ATOM 1326 C ALA A 81 2.481 -7.609 5.058 1.00 0.00 C ATOM 1327 O ALA A 81 3.291 -7.621 4.137 1.00 0.00 O ATOM 1328 CB ALA A 81 0.861 -9.438 4.499 1.00 0.00 C ATOM 0 H ALA A 81 0.150 -8.616 6.756 1.00 0.00 H new ATOM 0 HA ALA A 81 2.628 -9.630 5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.388 -9.596 3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.446 -10.384 4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.054 -8.722 4.347 1.00 0.00 H new ATOM 1334 N VAL A 82 2.109 -6.499 5.661 1.00 0.00 N ATOM 1335 CA VAL A 82 2.639 -5.220 5.253 1.00 0.00 C ATOM 1336 C VAL A 82 3.202 -4.460 6.401 1.00 0.00 C ATOM 1337 O VAL A 82 2.826 -4.671 7.560 1.00 0.00 O ATOM 1338 CB VAL A 82 1.606 -4.322 4.517 1.00 0.00 C ATOM 1339 CG1 VAL A 82 1.155 -4.997 3.268 1.00 0.00 C ATOM 1340 CG2 VAL A 82 0.404 -4.008 5.390 1.00 0.00 C ATOM 0 H VAL A 82 1.443 -6.459 6.433 1.00 0.00 H new ATOM 0 HA VAL A 82 3.433 -5.466 4.547 1.00 0.00 H new ATOM 0 HB VAL A 82 2.098 -3.379 4.277 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.431 -4.365 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.012 -5.169 2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.691 -5.951 3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.293 -3.378 4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.092 -4.936 5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.733 -3.484 6.287 1.00 0.00 H new ATOM 1350 N GLU A 83 4.110 -3.609 6.073 1.00 0.00 N ATOM 1351 CA GLU A 83 4.702 -2.705 6.986 1.00 0.00 C ATOM 1352 C GLU A 83 4.037 -1.358 6.756 1.00 0.00 C ATOM 1353 O GLU A 83 4.291 -0.690 5.748 1.00 0.00 O ATOM 1354 CB GLU A 83 6.189 -2.619 6.695 1.00 0.00 C ATOM 1355 CG GLU A 83 6.876 -3.968 6.680 1.00 0.00 C ATOM 1356 CD GLU A 83 8.263 -3.890 6.140 1.00 0.00 C ATOM 1357 OE1 GLU A 83 8.432 -3.890 4.903 1.00 0.00 O ATOM 1358 OE2 GLU A 83 9.218 -3.806 6.916 1.00 0.00 O ATOM 0 H GLU A 83 4.472 -3.523 5.123 1.00 0.00 H new ATOM 0 HA GLU A 83 4.572 -3.023 8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.336 -2.134 5.730 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.663 -1.986 7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.905 -4.370 7.693 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.292 -4.664 6.077 1.00 0.00 H new ATOM 1365 N ILE A 84 3.135 -1.021 7.614 1.00 0.00 N ATOM 1366 CA ILE A 84 2.401 0.220 7.515 1.00 0.00 C ATOM 1367 C ILE A 84 3.271 1.363 8.012 1.00 0.00 C ATOM 1368 O ILE A 84 3.795 1.308 9.129 1.00 0.00 O ATOM 1369 CB ILE A 84 1.093 0.148 8.352 1.00 0.00 C ATOM 1370 CG1 ILE A 84 0.150 -0.924 7.801 1.00 0.00 C ATOM 1371 CG2 ILE A 84 0.385 1.503 8.414 1.00 0.00 C ATOM 1372 CD1 ILE A 84 -0.453 -0.570 6.480 1.00 0.00 C ATOM 0 H ILE A 84 2.875 -1.596 8.415 1.00 0.00 H new ATOM 0 HA ILE A 84 2.134 0.391 6.472 1.00 0.00 H new ATOM 0 HB ILE A 84 1.374 -0.126 9.369 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.698 -1.861 7.701 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.650 -1.097 8.521 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.525 1.411 9.008 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.046 2.238 8.873 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.129 1.826 7.405 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.109 -1.376 6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.029 0.350 6.578 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.339 -0.426 5.745 1.00 0.00 H new ATOM 1384 N ASP A 85 3.444 2.364 7.192 1.00 0.00 N ATOM 1385 CA ASP A 85 4.225 3.511 7.571 1.00 0.00 C ATOM 1386 C ASP A 85 3.377 4.524 8.240 1.00 0.00 C ATOM 1387 O ASP A 85 2.358 4.997 7.712 1.00 0.00 O ATOM 1388 CB ASP A 85 4.931 4.126 6.412 1.00 0.00 C ATOM 1389 CG ASP A 85 5.720 5.375 6.772 1.00 0.00 C ATOM 1390 OD1 ASP A 85 6.889 5.254 7.193 1.00 0.00 O ATOM 1391 OD2 ASP A 85 5.197 6.492 6.611 1.00 0.00 O ATOM 0 H ASP A 85 3.052 2.409 6.251 1.00 0.00 H new ATOM 0 HA ASP A 85 4.984 3.157 8.268 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.609 3.391 5.979 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.200 4.377 5.644 1.00 0.00 H new