USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 486 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 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 142:sc= -0.303 (180deg=-0.78) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 79:sc= 0.042 USER MOD Single : A 28 SER OG : rot 180:sc=-0.00542 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N CYS A 16 7.611 -6.181 -9.187 1.00 0.00 N ATOM 245 CA CYS A 16 6.271 -6.226 -8.627 1.00 0.00 C ATOM 246 C CYS A 16 6.328 -6.996 -7.306 1.00 0.00 C ATOM 247 O CYS A 16 5.955 -6.468 -6.259 1.00 0.00 O ATOM 248 CB CYS A 16 5.270 -6.844 -9.605 1.00 0.00 C ATOM 249 SG CYS A 16 3.772 -5.798 -9.710 1.00 0.00 S ATOM 0 HA CYS A 16 5.918 -5.212 -8.440 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.725 -6.942 -10.591 1.00 0.00 H new ATOM 0 HB3 CYS A 16 5.001 -7.848 -9.277 1.00 0.00 H new ATOM 0 HG CYS A 16 2.929 -6.330 -10.545 1.00 0.00 H new ATOM 255 N VAL A 17 6.798 -8.231 -7.398 1.00 0.00 N ATOM 256 CA VAL A 17 6.908 -9.079 -6.223 1.00 0.00 C ATOM 257 C VAL A 17 8.058 -10.070 -6.421 1.00 0.00 C ATOM 258 O VAL A 17 9.142 -9.886 -5.870 1.00 0.00 O ATOM 259 CB VAL A 17 5.569 -9.765 -5.945 1.00 0.00 C ATOM 260 CG1 VAL A 17 5.679 -10.720 -4.754 1.00 0.00 C ATOM 261 CG2 VAL A 17 4.461 -8.734 -5.721 1.00 0.00 C ATOM 0 H VAL A 17 7.107 -8.665 -8.268 1.00 0.00 H new ATOM 0 HA VAL A 17 7.141 -8.482 -5.341 1.00 0.00 H new ATOM 0 HB VAL A 17 5.305 -10.354 -6.823 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.714 -11.194 -4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.425 -11.485 -4.969 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.976 -10.162 -3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.520 -9.248 -5.526 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.716 -8.106 -4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.357 -8.113 -6.610 1.00 0.00 H new ATOM 271 N SER A 18 7.781 -11.098 -7.209 1.00 0.00 N ATOM 272 CA SER A 18 8.778 -12.118 -7.486 1.00 0.00 C ATOM 273 C SER A 18 9.225 -12.781 -6.182 1.00 0.00 C ATOM 274 O SER A 18 8.885 -12.314 -5.096 1.00 0.00 O ATOM 275 CB SER A 18 9.983 -11.525 -8.221 1.00 0.00 C ATOM 276 OG SER A 18 10.113 -12.046 -9.541 1.00 0.00 O ATOM 0 H SER A 18 6.881 -11.247 -7.665 1.00 0.00 H new ATOM 0 HA SER A 18 8.327 -12.871 -8.132 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.881 -10.441 -8.268 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.891 -11.736 -7.657 1.00 0.00 H new ATOM 0 HG SER A 18 10.892 -11.642 -9.977 1.00 0.00 H new ATOM 282 N GLU A 19 9.981 -13.859 -6.332 1.00 0.00 N ATOM 283 CA GLU A 19 10.478 -14.591 -5.179 1.00 0.00 C ATOM 284 C GLU A 19 11.151 -13.635 -4.193 1.00 0.00 C ATOM 285 O GLU A 19 11.187 -13.899 -2.993 1.00 0.00 O ATOM 286 CB GLU A 19 11.438 -15.702 -5.608 1.00 0.00 C ATOM 287 CG GLU A 19 10.720 -17.051 -5.678 1.00 0.00 C ATOM 288 CD GLU A 19 11.028 -17.769 -6.993 1.00 0.00 C ATOM 289 OE1 GLU A 19 12.093 -18.390 -7.126 1.00 0.00 O ATOM 290 OE2 GLU A 19 10.114 -17.667 -7.897 1.00 0.00 O ATOM 0 H GLU A 19 10.261 -14.243 -7.234 1.00 0.00 H new ATOM 0 HA GLU A 19 9.631 -15.061 -4.678 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.865 -15.462 -6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.267 -15.763 -4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.028 -17.675 -4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.645 -16.900 -5.585 1.00 0.00 H new ATOM 297 N LYS A 20 11.668 -12.542 -4.737 1.00 0.00 N ATOM 298 CA LYS A 20 12.338 -11.545 -3.920 1.00 0.00 C ATOM 299 C LYS A 20 11.382 -11.061 -2.828 1.00 0.00 C ATOM 300 O LYS A 20 11.603 -11.317 -1.645 1.00 0.00 O ATOM 301 CB LYS A 20 12.892 -10.419 -4.795 1.00 0.00 C ATOM 302 CG LYS A 20 14.083 -9.735 -4.120 1.00 0.00 C ATOM 303 CD LYS A 20 13.615 -8.622 -3.181 1.00 0.00 C ATOM 304 CE LYS A 20 14.799 -7.996 -2.442 1.00 0.00 C ATOM 305 NZ LYS A 20 14.500 -7.868 -0.998 1.00 0.00 N ATOM 0 H LYS A 20 11.636 -12.326 -5.733 1.00 0.00 H new ATOM 0 HA LYS A 20 13.202 -11.982 -3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.199 -10.821 -5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.109 -9.686 -4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.660 -10.471 -3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.747 -9.321 -4.879 1.00 0.00 H new ATOM 0 HD2 LYS A 20 13.091 -7.855 -3.752 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.903 -9.024 -2.460 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.689 -8.610 -2.582 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.020 -7.015 -2.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.357 -8.075 -0.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.182 -6.899 -0.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.750 -8.540 -0.738 1.00 0.00 H new ATOM 319 N LEU A 21 10.339 -10.369 -3.263 1.00 0.00 N ATOM 320 CA LEU A 21 9.349 -9.846 -2.337 1.00 0.00 C ATOM 321 C LEU A 21 8.736 -11.003 -1.546 1.00 0.00 C ATOM 322 O LEU A 21 8.544 -10.899 -0.335 1.00 0.00 O ATOM 323 CB LEU A 21 8.317 -8.995 -3.080 1.00 0.00 C ATOM 324 CG LEU A 21 7.863 -7.719 -2.369 1.00 0.00 C ATOM 325 CD1 LEU A 21 7.048 -8.050 -1.116 1.00 0.00 C ATOM 326 CD2 LEU A 21 9.054 -6.812 -2.055 1.00 0.00 C ATOM 0 H LEU A 21 10.158 -10.158 -4.245 1.00 0.00 H new ATOM 0 HA LEU A 21 9.819 -9.178 -1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.733 -8.719 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.439 -9.611 -3.274 1.00 0.00 H new ATOM 0 HG LEU A 21 7.208 -7.167 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.737 -7.125 -0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.166 -8.626 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.659 -8.635 -0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.703 -5.912 -1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.754 -7.341 -1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.555 -6.535 -2.983 1.00 0.00 H new ATOM 338 N LEU A 22 8.446 -12.080 -2.262 1.00 0.00 N ATOM 339 CA LEU A 22 7.858 -13.255 -1.642 1.00 0.00 C ATOM 340 C LEU A 22 8.676 -13.637 -0.407 1.00 0.00 C ATOM 341 O LEU A 22 8.116 -14.024 0.618 1.00 0.00 O ATOM 342 CB LEU A 22 7.721 -14.387 -2.663 1.00 0.00 C ATOM 343 CG LEU A 22 6.296 -14.876 -2.934 1.00 0.00 C ATOM 344 CD1 LEU A 22 6.111 -15.233 -4.410 1.00 0.00 C ATOM 345 CD2 LEU A 22 5.932 -16.041 -2.012 1.00 0.00 C ATOM 0 H LEU A 22 8.607 -12.163 -3.266 1.00 0.00 H new ATOM 0 HA LEU A 22 6.845 -13.040 -1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.155 -14.054 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.315 -15.234 -2.320 1.00 0.00 H new ATOM 0 HG LEU A 22 5.607 -14.062 -2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.090 -15.578 -4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.301 -14.353 -5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.810 -16.024 -4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.915 -16.369 -2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.623 -16.867 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.999 -15.717 -0.973 1.00 0.00 H new ATOM 357 N ARG A 23 9.989 -13.516 -0.544 1.00 0.00 N ATOM 358 CA ARG A 23 10.889 -13.843 0.548 1.00 0.00 C ATOM 359 C ARG A 23 10.932 -12.699 1.562 1.00 0.00 C ATOM 360 O ARG A 23 10.988 -12.935 2.768 1.00 0.00 O ATOM 361 CB ARG A 23 12.304 -14.113 0.033 1.00 0.00 C ATOM 362 CG ARG A 23 13.027 -15.127 0.921 1.00 0.00 C ATOM 363 CD ARG A 23 14.265 -14.504 1.569 1.00 0.00 C ATOM 364 NE ARG A 23 15.492 -15.083 0.977 1.00 0.00 N ATOM 365 CZ ARG A 23 16.732 -14.583 1.166 1.00 0.00 C ATOM 366 NH1 ARG A 23 16.920 -13.488 1.934 1.00 0.00 N ATOM 367 NH2 ARG A 23 17.757 -15.180 0.588 1.00 0.00 N ATOM 0 H ARG A 23 10.450 -13.196 -1.395 1.00 0.00 H new ATOM 0 HA ARG A 23 10.512 -14.745 1.030 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.257 -14.488 -0.989 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.869 -13.181 0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.349 -15.486 1.695 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.320 -15.993 0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.256 -13.424 1.425 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.251 -14.682 2.644 1.00 0.00 H new ATOM 0 HE ARG A 23 15.395 -15.911 0.390 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.122 -13.032 2.376 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.860 -13.117 2.072 1.00 0.00 H new ATOM 0 HH21 ARG A 23 17.606 -16.006 0.009 1.00 0.00 H new ATOM 0 HH22 ARG A 23 18.700 -14.815 0.720 1.00 0.00 H new ATOM 381 N LYS A 24 10.905 -11.483 1.035 1.00 0.00 N ATOM 382 CA LYS A 24 10.941 -10.301 1.880 1.00 0.00 C ATOM 383 C LYS A 24 9.835 -10.398 2.933 1.00 0.00 C ATOM 384 O LYS A 24 10.064 -10.111 4.107 1.00 0.00 O ATOM 385 CB LYS A 24 10.868 -9.032 1.028 1.00 0.00 C ATOM 386 CG LYS A 24 11.023 -7.780 1.895 1.00 0.00 C ATOM 387 CD LYS A 24 12.440 -7.213 1.790 1.00 0.00 C ATOM 388 CE LYS A 24 12.520 -5.818 2.413 1.00 0.00 C ATOM 389 NZ LYS A 24 13.885 -5.553 2.920 1.00 0.00 N ATOM 0 H LYS A 24 10.859 -11.291 0.034 1.00 0.00 H new ATOM 0 HA LYS A 24 11.888 -10.245 2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.651 -9.053 0.270 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.915 -8.998 0.501 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.301 -7.025 1.583 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.801 -8.023 2.934 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.141 -7.880 2.292 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.740 -7.165 0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.249 -5.066 1.672 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.801 -5.736 3.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.921 -4.602 3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.130 -6.260 3.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.564 -5.611 2.135 1.00 0.00 H new ATOM 403 N THR A 25 8.660 -10.805 2.475 1.00 0.00 N ATOM 404 CA THR A 25 7.518 -10.944 3.363 1.00 0.00 C ATOM 405 C THR A 25 7.934 -11.637 4.662 1.00 0.00 C ATOM 406 O THR A 25 8.395 -10.986 5.598 1.00 0.00 O ATOM 407 CB THR A 25 6.416 -11.686 2.604 1.00 0.00 C ATOM 408 OG1 THR A 25 5.977 -10.748 1.626 1.00 0.00 O ATOM 409 CG2 THR A 25 5.177 -11.934 3.466 1.00 0.00 C ATOM 0 H THR A 25 8.474 -11.043 1.501 1.00 0.00 H new ATOM 0 HA THR A 25 7.128 -9.971 3.661 1.00 0.00 H new ATOM 0 HB THR A 25 6.802 -12.639 2.242 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.612 -10.732 0.880 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.426 -12.463 2.880 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.451 -12.536 4.333 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.770 -10.980 3.801 1.00 0.00 H new ATOM 417 N ARG A 26 7.756 -12.950 4.678 1.00 0.00 N ATOM 418 CA ARG A 26 8.107 -13.739 5.846 1.00 0.00 C ATOM 419 C ARG A 26 7.839 -15.223 5.585 1.00 0.00 C ATOM 420 O ARG A 26 8.760 -15.979 5.281 1.00 0.00 O ATOM 421 CB ARG A 26 7.310 -13.292 7.073 1.00 0.00 C ATOM 422 CG ARG A 26 8.220 -12.625 8.106 1.00 0.00 C ATOM 423 CD ARG A 26 8.259 -13.432 9.405 1.00 0.00 C ATOM 424 NE ARG A 26 9.661 -13.689 9.800 1.00 0.00 N ATOM 425 CZ ARG A 26 10.034 -14.614 10.711 1.00 0.00 C ATOM 426 NH1 ARG A 26 9.109 -15.378 11.329 1.00 0.00 N ATOM 427 NH2 ARG A 26 11.316 -14.759 10.987 1.00 0.00 N ATOM 0 H ARG A 26 7.373 -13.487 3.900 1.00 0.00 H new ATOM 0 HA ARG A 26 9.169 -13.587 6.041 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.528 -12.596 6.769 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.814 -14.153 7.522 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.228 -12.531 7.701 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.864 -11.615 8.311 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.744 -12.888 10.196 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.731 -14.376 9.272 1.00 0.00 H new ATOM 0 HE ARG A 26 10.392 -13.133 9.357 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.120 -15.259 11.109 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.399 -16.074 12.016 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.008 -14.177 10.515 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.615 -15.453 11.672 1.00 0.00 H new ATOM 441 N GLU A 27 6.574 -15.594 5.714 1.00 0.00 N ATOM 442 CA GLU A 27 6.173 -16.973 5.495 1.00 0.00 C ATOM 443 C GLU A 27 4.650 -17.102 5.569 1.00 0.00 C ATOM 444 O GLU A 27 4.010 -17.510 4.601 1.00 0.00 O ATOM 445 CB GLU A 27 6.851 -17.907 6.500 1.00 0.00 C ATOM 446 CG GLU A 27 7.013 -19.313 5.920 1.00 0.00 C ATOM 447 CD GLU A 27 7.855 -19.285 4.642 1.00 0.00 C ATOM 448 OE1 GLU A 27 9.092 -19.288 4.715 1.00 0.00 O ATOM 449 OE2 GLU A 27 7.178 -19.261 3.544 1.00 0.00 O ATOM 0 H GLU A 27 5.813 -14.964 5.967 1.00 0.00 H new ATOM 0 HA GLU A 27 6.495 -17.270 4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.828 -17.507 6.771 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.260 -17.953 7.415 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.486 -19.962 6.657 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.032 -19.737 5.704 1.00 0.00 H new ATOM 456 N SER A 28 4.113 -16.745 6.726 1.00 0.00 N ATOM 457 CA SER A 28 2.678 -16.815 6.939 1.00 0.00 C ATOM 458 C SER A 28 1.941 -16.246 5.725 1.00 0.00 C ATOM 459 O SER A 28 2.553 -15.625 4.857 1.00 0.00 O ATOM 460 CB SER A 28 2.271 -16.062 8.207 1.00 0.00 C ATOM 461 OG SER A 28 1.794 -16.943 9.221 1.00 0.00 O ATOM 0 H SER A 28 4.647 -16.406 7.526 1.00 0.00 H new ATOM 0 HA SER A 28 2.402 -17.862 7.067 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.126 -15.502 8.586 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.496 -15.335 7.964 1.00 0.00 H new ATOM 0 HG SER A 28 1.546 -16.424 10.015 1.00 0.00 H new ATOM 467 N PRO A 29 0.602 -16.484 5.701 1.00 0.00 N ATOM 468 CA PRO A 29 -0.225 -16.002 4.608 1.00 0.00 C ATOM 469 C PRO A 29 -0.460 -14.495 4.721 1.00 0.00 C ATOM 470 O PRO A 29 0.106 -13.839 5.593 1.00 0.00 O ATOM 471 CB PRO A 29 -1.508 -16.812 4.699 1.00 0.00 C ATOM 472 CG PRO A 29 -1.542 -17.383 6.107 1.00 0.00 C ATOM 473 CD PRO A 29 -0.157 -17.216 6.711 1.00 0.00 C ATOM 0 HA PRO A 29 0.246 -16.135 3.634 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.380 -16.185 4.511 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.521 -17.608 3.954 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.287 -16.865 6.711 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.825 -18.435 6.085 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.199 -16.666 7.651 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.300 -18.182 6.927 1.00 0.00 H new ATOM 481 N LEU A 30 -1.297 -13.990 3.827 1.00 0.00 N ATOM 482 CA LEU A 30 -1.614 -12.572 3.815 1.00 0.00 C ATOM 483 C LEU A 30 -2.887 -12.332 4.629 1.00 0.00 C ATOM 484 O LEU A 30 -3.151 -11.210 5.060 1.00 0.00 O ATOM 485 CB LEU A 30 -1.696 -12.053 2.378 1.00 0.00 C ATOM 486 CG LEU A 30 -1.270 -10.599 2.165 1.00 0.00 C ATOM 487 CD1 LEU A 30 0.217 -10.509 1.816 1.00 0.00 C ATOM 488 CD2 LEU A 30 -2.148 -9.919 1.113 1.00 0.00 C ATOM 0 H LEU A 30 -1.766 -14.538 3.105 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.818 -12.000 4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.075 -12.689 1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.723 -12.165 2.030 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.414 -10.060 3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.494 -9.465 1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.808 -10.931 2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.410 -11.067 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.824 -8.887 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.059 -10.451 0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.187 -9.934 1.442 1.00 0.00 H new ATOM 500 N VAL A 31 -3.643 -13.404 4.815 1.00 0.00 N ATOM 501 CA VAL A 31 -4.882 -13.324 5.570 1.00 0.00 C ATOM 502 C VAL A 31 -4.647 -12.509 6.843 1.00 0.00 C ATOM 503 O VAL A 31 -5.400 -11.582 7.138 1.00 0.00 O ATOM 504 CB VAL A 31 -5.416 -14.730 5.850 1.00 0.00 C ATOM 505 CG1 VAL A 31 -5.942 -14.841 7.283 1.00 0.00 C ATOM 506 CG2 VAL A 31 -6.495 -15.119 4.838 1.00 0.00 C ATOM 0 H VAL A 31 -3.421 -14.333 4.456 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.649 -12.809 4.992 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.588 -15.431 5.742 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.316 -15.850 7.456 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.135 -14.627 7.984 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.750 -14.125 7.430 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.857 -16.123 5.060 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.323 -14.413 4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.075 -15.099 3.832 1.00 0.00 H new ATOM 516 N PRO A 32 -3.572 -12.894 7.582 1.00 0.00 N ATOM 517 CA PRO A 32 -3.229 -12.209 8.816 1.00 0.00 C ATOM 518 C PRO A 32 -2.588 -10.850 8.529 1.00 0.00 C ATOM 519 O PRO A 32 -3.189 -9.808 8.792 1.00 0.00 O ATOM 520 CB PRO A 32 -2.298 -13.162 9.549 1.00 0.00 C ATOM 521 CG PRO A 32 -1.786 -14.134 8.499 1.00 0.00 C ATOM 522 CD PRO A 32 -2.659 -13.987 7.263 1.00 0.00 C ATOM 0 HA PRO A 32 -4.102 -11.978 9.426 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.474 -12.622 10.016 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.825 -13.688 10.345 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.744 -13.922 8.258 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -1.825 -15.157 8.874 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.061 -13.759 6.381 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.202 -14.908 7.050 1.00 0.00 H new ATOM 530 N ILE A 33 -1.377 -10.903 7.995 1.00 0.00 N ATOM 531 CA ILE A 33 -0.649 -9.689 7.669 1.00 0.00 C ATOM 532 C ILE A 33 -1.618 -8.657 7.091 1.00 0.00 C ATOM 533 O ILE A 33 -1.486 -7.462 7.350 1.00 0.00 O ATOM 534 CB ILE A 33 0.534 -10.003 6.751 1.00 0.00 C ATOM 535 CG1 ILE A 33 1.561 -10.887 7.463 1.00 0.00 C ATOM 536 CG2 ILE A 33 1.163 -8.719 6.207 1.00 0.00 C ATOM 537 CD1 ILE A 33 2.261 -11.820 6.473 1.00 0.00 C ATOM 0 H ILE A 33 -0.881 -11.768 7.780 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.217 -9.252 8.569 1.00 0.00 H new ATOM 0 HB ILE A 33 0.162 -10.566 5.895 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.300 -10.261 7.963 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.066 -11.476 8.235 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.001 -8.971 5.558 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.419 -8.162 5.638 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.518 -8.108 7.037 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.985 -12.437 7.005 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.522 -12.461 5.992 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.775 -11.228 5.716 1.00 0.00 H new ATOM 549 N GLY A 34 -2.572 -9.156 6.317 1.00 0.00 N ATOM 550 CA GLY A 34 -3.563 -8.292 5.700 1.00 0.00 C ATOM 551 C GLY A 34 -4.552 -7.761 6.740 1.00 0.00 C ATOM 552 O GLY A 34 -4.809 -6.560 6.801 1.00 0.00 O ATOM 0 H GLY A 34 -2.679 -10.148 6.104 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.066 -7.457 5.206 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.102 -8.843 4.929 1.00 0.00 H new ATOM 556 N LEU A 35 -5.079 -8.682 7.533 1.00 0.00 N ATOM 557 CA LEU A 35 -6.034 -8.322 8.567 1.00 0.00 C ATOM 558 C LEU A 35 -5.500 -7.122 9.352 1.00 0.00 C ATOM 559 O LEU A 35 -6.230 -6.162 9.598 1.00 0.00 O ATOM 560 CB LEU A 35 -6.358 -9.534 9.443 1.00 0.00 C ATOM 561 CG LEU A 35 -7.788 -9.608 9.983 1.00 0.00 C ATOM 562 CD1 LEU A 35 -8.392 -10.993 9.747 1.00 0.00 C ATOM 563 CD2 LEU A 35 -7.837 -9.205 11.458 1.00 0.00 C ATOM 0 H LEU A 35 -4.863 -9.677 7.480 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.981 -8.017 8.121 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.161 -10.438 8.866 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.671 -9.540 10.289 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.399 -8.893 9.433 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.408 -11.019 10.140 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.411 -11.204 8.678 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.788 -11.745 10.255 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.864 -9.266 11.818 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.208 -9.878 12.040 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.474 -8.183 11.568 1.00 0.00 H new ATOM 575 N GLY A 36 -4.232 -7.215 9.723 1.00 0.00 N ATOM 576 CA GLY A 36 -3.592 -6.149 10.475 1.00 0.00 C ATOM 577 C GLY A 36 -3.474 -4.878 9.632 1.00 0.00 C ATOM 578 O GLY A 36 -4.009 -3.833 10.000 1.00 0.00 O ATOM 0 H GLY A 36 -3.630 -8.012 9.517 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.167 -5.939 11.377 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.601 -6.470 10.796 1.00 0.00 H new ATOM 582 N GLY A 37 -2.771 -5.009 8.517 1.00 0.00 N ATOM 583 CA GLY A 37 -2.576 -3.884 7.618 1.00 0.00 C ATOM 584 C GLY A 37 -3.912 -3.224 7.268 1.00 0.00 C ATOM 585 O GLY A 37 -3.946 -2.071 6.842 1.00 0.00 O ATOM 0 H GLY A 37 -2.329 -5.877 8.215 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.916 -3.152 8.083 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.084 -4.223 6.706 1.00 0.00 H new ATOM 589 N CYS A 38 -4.980 -3.984 7.461 1.00 0.00 N ATOM 590 CA CYS A 38 -6.314 -3.488 7.171 1.00 0.00 C ATOM 591 C CYS A 38 -6.767 -2.616 8.343 1.00 0.00 C ATOM 592 O CYS A 38 -7.091 -1.443 8.160 1.00 0.00 O ATOM 593 CB CYS A 38 -7.295 -4.630 6.897 1.00 0.00 C ATOM 594 SG CYS A 38 -8.432 -4.166 5.540 1.00 0.00 S ATOM 0 H CYS A 38 -4.948 -4.940 7.815 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.292 -2.889 6.261 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.748 -5.534 6.631 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.864 -4.856 7.799 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.259 -5.143 5.314 1.00 0.00 H new ATOM 600 N LEU A 39 -6.776 -3.221 9.522 1.00 0.00 N ATOM 601 CA LEU A 39 -7.184 -2.514 10.724 1.00 0.00 C ATOM 602 C LEU A 39 -6.518 -1.137 10.751 1.00 0.00 C ATOM 603 O LEU A 39 -7.168 -0.135 11.043 1.00 0.00 O ATOM 604 CB LEU A 39 -6.899 -3.360 11.966 1.00 0.00 C ATOM 605 CG LEU A 39 -8.107 -3.689 12.845 1.00 0.00 C ATOM 606 CD1 LEU A 39 -8.761 -5.002 12.410 1.00 0.00 C ATOM 607 CD2 LEU A 39 -7.720 -3.704 14.326 1.00 0.00 C ATOM 0 H LEU A 39 -6.507 -4.194 9.670 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.261 -2.347 10.721 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.442 -4.296 11.646 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.162 -2.837 12.576 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.849 -2.901 12.714 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.617 -5.212 13.051 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.095 -4.917 11.376 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.038 -5.813 12.493 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.597 -3.940 14.929 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.951 -4.458 14.493 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.337 -2.725 14.612 1.00 0.00 H new ATOM 619 N VAL A 40 -5.229 -1.132 10.443 1.00 0.00 N ATOM 620 CA VAL A 40 -4.468 0.105 10.429 1.00 0.00 C ATOM 621 C VAL A 40 -4.917 0.962 9.244 1.00 0.00 C ATOM 622 O VAL A 40 -5.162 2.158 9.396 1.00 0.00 O ATOM 623 CB VAL A 40 -2.969 -0.203 10.409 1.00 0.00 C ATOM 624 CG1 VAL A 40 -2.580 -0.951 9.132 1.00 0.00 C ATOM 625 CG2 VAL A 40 -2.144 1.076 10.568 1.00 0.00 C ATOM 0 H VAL A 40 -4.693 -1.965 10.201 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.657 0.679 11.336 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.749 -0.851 11.257 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.510 -1.158 9.143 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.130 -1.890 9.079 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.822 -0.339 8.263 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.083 0.829 10.550 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.371 1.759 9.750 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.390 1.552 11.517 1.00 0.00 H new ATOM 635 N VAL A 41 -5.013 0.317 8.090 1.00 0.00 N ATOM 636 CA VAL A 41 -5.429 1.005 6.880 1.00 0.00 C ATOM 637 C VAL A 41 -6.737 1.753 7.148 1.00 0.00 C ATOM 638 O VAL A 41 -6.754 2.981 7.202 1.00 0.00 O ATOM 639 CB VAL A 41 -5.534 0.011 5.723 1.00 0.00 C ATOM 640 CG1 VAL A 41 -6.578 0.467 4.701 1.00 0.00 C ATOM 641 CG2 VAL A 41 -4.173 -0.203 5.057 1.00 0.00 C ATOM 0 H VAL A 41 -4.810 -0.675 7.968 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.685 1.746 6.587 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.860 -0.945 6.133 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.633 -0.258 3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.552 0.544 5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.294 1.440 4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.277 -0.914 4.238 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.805 0.747 4.669 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.467 -0.594 5.790 1.00 0.00 H new ATOM 651 N ALA A 42 -7.801 0.979 7.308 1.00 0.00 N ATOM 652 CA ALA A 42 -9.110 1.552 7.569 1.00 0.00 C ATOM 653 C ALA A 42 -8.996 2.584 8.692 1.00 0.00 C ATOM 654 O ALA A 42 -9.481 3.707 8.561 1.00 0.00 O ATOM 655 CB ALA A 42 -10.100 0.434 7.902 1.00 0.00 C ATOM 0 H ALA A 42 -7.783 -0.040 7.262 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.486 2.067 6.685 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.082 0.864 8.098 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.167 -0.255 7.060 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.757 -0.104 8.785 1.00 0.00 H new ATOM 661 N ALA A 43 -8.352 2.167 9.772 1.00 0.00 N ATOM 662 CA ALA A 43 -8.168 3.041 10.918 1.00 0.00 C ATOM 663 C ALA A 43 -7.801 4.444 10.430 1.00 0.00 C ATOM 664 O ALA A 43 -8.481 5.416 10.757 1.00 0.00 O ATOM 665 CB ALA A 43 -7.104 2.450 11.846 1.00 0.00 C ATOM 0 H ALA A 43 -7.951 1.235 9.878 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.092 3.122 11.491 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.966 3.106 12.706 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.425 1.466 12.188 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.162 2.357 11.306 1.00 0.00 H new ATOM 671 N TYR A 44 -6.728 4.505 9.656 1.00 0.00 N ATOM 672 CA TYR A 44 -6.264 5.773 9.120 1.00 0.00 C ATOM 673 C TYR A 44 -7.306 6.388 8.184 1.00 0.00 C ATOM 674 O TYR A 44 -7.708 7.536 8.365 1.00 0.00 O ATOM 675 CB TYR A 44 -5.000 5.454 8.317 1.00 0.00 C ATOM 676 CG TYR A 44 -3.700 5.655 9.098 1.00 0.00 C ATOM 677 CD1 TYR A 44 -3.265 4.684 9.976 1.00 0.00 C ATOM 678 CD2 TYR A 44 -2.962 6.808 8.923 1.00 0.00 C ATOM 679 CE1 TYR A 44 -2.041 4.873 10.711 1.00 0.00 C ATOM 680 CE2 TYR A 44 -1.738 6.998 9.658 1.00 0.00 C ATOM 681 CZ TYR A 44 -1.338 6.021 10.516 1.00 0.00 C ATOM 682 OH TYR A 44 -0.182 6.199 11.210 1.00 0.00 O ATOM 0 H TYR A 44 -6.167 3.697 9.387 1.00 0.00 H new ATOM 0 HA TYR A 44 -6.080 6.485 9.925 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.050 4.420 7.975 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.978 6.083 7.427 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.843 3.782 10.112 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.302 7.568 8.235 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.689 4.120 11.401 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.151 7.896 9.531 1.00 0.00 H new ATOM 0 HH TYR A 44 0.214 7.063 10.970 1.00 0.00 H new ATOM 692 N ARG A 45 -7.714 5.596 7.203 1.00 0.00 N ATOM 693 CA ARG A 45 -8.702 6.048 6.238 1.00 0.00 C ATOM 694 C ARG A 45 -9.796 6.857 6.938 1.00 0.00 C ATOM 695 O ARG A 45 -9.999 8.031 6.629 1.00 0.00 O ATOM 696 CB ARG A 45 -9.341 4.865 5.509 1.00 0.00 C ATOM 697 CG ARG A 45 -9.014 4.900 4.014 1.00 0.00 C ATOM 698 CD ARG A 45 -10.208 5.407 3.203 1.00 0.00 C ATOM 699 NE ARG A 45 -9.833 6.631 2.461 1.00 0.00 N ATOM 700 CZ ARG A 45 -10.720 7.543 2.007 1.00 0.00 C ATOM 701 NH1 ARG A 45 -12.042 7.376 2.217 1.00 0.00 N ATOM 702 NH2 ARG A 45 -10.273 8.600 1.355 1.00 0.00 N ATOM 0 H ARG A 45 -7.378 4.644 7.056 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.190 6.676 5.509 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.983 3.931 5.941 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.422 4.888 5.649 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.153 5.545 3.842 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.737 3.902 3.675 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.538 4.636 2.506 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.046 5.617 3.867 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.843 6.796 2.281 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.379 6.556 2.722 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.705 8.070 1.871 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.272 8.718 1.201 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.929 9.298 1.005 1.00 0.00 H new ATOM 716 N ILE A 46 -10.472 6.198 7.868 1.00 0.00 N ATOM 717 CA ILE A 46 -11.540 6.842 8.614 1.00 0.00 C ATOM 718 C ILE A 46 -11.001 8.112 9.275 1.00 0.00 C ATOM 719 O ILE A 46 -11.527 9.202 9.056 1.00 0.00 O ATOM 720 CB ILE A 46 -12.175 5.857 9.598 1.00 0.00 C ATOM 721 CG1 ILE A 46 -12.767 4.653 8.864 1.00 0.00 C ATOM 722 CG2 ILE A 46 -13.210 6.556 10.482 1.00 0.00 C ATOM 723 CD1 ILE A 46 -14.046 5.039 8.119 1.00 0.00 C ATOM 0 H ILE A 46 -10.301 5.225 8.122 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.343 7.148 7.943 1.00 0.00 H new ATOM 0 HB ILE A 46 -11.392 5.479 10.256 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -12.036 4.258 8.158 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -12.984 3.858 9.578 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -13.646 5.834 11.172 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.727 7.352 11.048 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -13.995 6.980 9.857 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -14.446 4.165 7.606 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.783 5.411 8.830 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.821 5.817 7.389 1.00 0.00 H new ATOM 735 N TYR A 47 -9.958 7.928 10.072 1.00 0.00 N ATOM 736 CA TYR A 47 -9.342 9.045 10.767 1.00 0.00 C ATOM 737 C TYR A 47 -9.318 10.295 9.884 1.00 0.00 C ATOM 738 O TYR A 47 -9.833 11.342 10.270 1.00 0.00 O ATOM 739 CB TYR A 47 -7.904 8.616 11.063 1.00 0.00 C ATOM 740 CG TYR A 47 -7.578 8.519 12.555 1.00 0.00 C ATOM 741 CD1 TYR A 47 -7.197 9.646 13.253 1.00 0.00 C ATOM 742 CD2 TYR A 47 -7.665 7.303 13.202 1.00 0.00 C ATOM 743 CE1 TYR A 47 -6.890 9.555 14.657 1.00 0.00 C ATOM 744 CE2 TYR A 47 -7.358 7.211 14.606 1.00 0.00 C ATOM 745 CZ TYR A 47 -6.986 8.341 15.264 1.00 0.00 C ATOM 746 OH TYR A 47 -6.696 8.255 16.590 1.00 0.00 O ATOM 0 H TYR A 47 -9.525 7.022 10.251 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.900 9.289 11.671 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.722 7.647 10.598 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.221 9.326 10.598 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.129 10.597 12.746 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.963 6.421 12.655 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.591 10.430 15.215 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.422 6.266 15.124 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.808 7.329 16.890 1.00 0.00 H new ATOM 756 N ARG A 48 -8.713 10.142 8.715 1.00 0.00 N ATOM 757 CA ARG A 48 -8.614 11.244 7.774 1.00 0.00 C ATOM 758 C ARG A 48 -10.009 11.763 7.416 1.00 0.00 C ATOM 759 O ARG A 48 -10.248 12.970 7.427 1.00 0.00 O ATOM 760 CB ARG A 48 -7.895 10.813 6.494 1.00 0.00 C ATOM 761 CG ARG A 48 -7.734 11.992 5.532 1.00 0.00 C ATOM 762 CD ARG A 48 -6.496 12.820 5.881 1.00 0.00 C ATOM 763 NE ARG A 48 -6.058 13.598 4.701 1.00 0.00 N ATOM 764 CZ ARG A 48 -5.223 13.125 3.750 1.00 0.00 C ATOM 765 NH1 ARG A 48 -4.729 11.872 3.834 1.00 0.00 N ATOM 766 NH2 ARG A 48 -4.898 13.908 2.738 1.00 0.00 N ATOM 0 H ARG A 48 -8.287 9.271 8.398 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.038 12.037 8.252 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -6.915 10.406 6.743 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.457 10.016 6.007 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.653 11.623 4.510 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -8.622 12.623 5.573 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.720 13.494 6.708 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.691 12.164 6.213 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.408 14.551 4.599 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.985 11.274 4.620 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.099 11.523 3.112 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.276 14.854 2.683 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.269 13.567 2.011 1.00 0.00 H new ATOM 780 N LEU A 49 -10.893 10.826 7.107 1.00 0.00 N ATOM 781 CA LEU A 49 -12.257 11.174 6.747 1.00 0.00 C ATOM 782 C LEU A 49 -12.817 12.156 7.778 1.00 0.00 C ATOM 783 O LEU A 49 -13.091 13.311 7.455 1.00 0.00 O ATOM 784 CB LEU A 49 -13.104 9.911 6.576 1.00 0.00 C ATOM 785 CG LEU A 49 -14.036 9.888 5.363 1.00 0.00 C ATOM 786 CD1 LEU A 49 -13.580 8.844 4.342 1.00 0.00 C ATOM 787 CD2 LEU A 49 -15.489 9.673 5.792 1.00 0.00 C ATOM 0 H LEU A 49 -10.691 9.826 7.098 1.00 0.00 H new ATOM 0 HA LEU A 49 -12.280 11.679 5.781 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.434 9.054 6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -13.706 9.777 7.475 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.985 10.861 4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -14.259 8.848 3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -12.572 9.082 4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -13.584 7.857 4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -16.131 9.661 4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.576 8.722 6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.797 10.483 6.454 1.00 0.00 H new ATOM 799 N ARG A 50 -12.971 11.661 8.997 1.00 0.00 N ATOM 800 CA ARG A 50 -13.494 12.481 10.077 1.00 0.00 C ATOM 801 C ARG A 50 -12.351 13.194 10.803 1.00 0.00 C ATOM 802 O ARG A 50 -11.531 12.553 11.457 1.00 0.00 O ATOM 803 CB ARG A 50 -14.277 11.634 11.082 1.00 0.00 C ATOM 804 CG ARG A 50 -15.775 11.938 11.005 1.00 0.00 C ATOM 805 CD ARG A 50 -16.548 11.160 12.072 1.00 0.00 C ATOM 806 NE ARG A 50 -17.978 11.537 12.037 1.00 0.00 N ATOM 807 CZ ARG A 50 -18.843 11.138 11.081 1.00 0.00 C ATOM 808 NH1 ARG A 50 -18.429 10.344 10.070 1.00 0.00 N ATOM 809 NH2 ARG A 50 -20.100 11.535 11.148 1.00 0.00 N ATOM 0 H ARG A 50 -12.743 10.703 9.261 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.167 13.218 9.638 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.106 10.576 10.883 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.914 11.831 12.091 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -15.940 13.007 11.138 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -16.152 11.678 10.016 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.442 10.089 11.901 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -16.133 11.368 13.058 1.00 0.00 H new ATOM 0 HE ARG A 50 -18.333 12.136 12.782 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -17.456 10.041 10.025 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -19.089 10.047 9.352 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -20.405 12.135 11.915 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -20.766 11.242 10.433 1.00 0.00 H new ATOM 1045 N ARG A 65 6.928 11.863 5.870 1.00 0.00 N ATOM 1046 CA ARG A 65 7.506 10.540 6.027 1.00 0.00 C ATOM 1047 C ARG A 65 6.457 9.563 6.563 1.00 0.00 C ATOM 1048 O ARG A 65 6.206 8.522 5.958 1.00 0.00 O ATOM 1049 CB ARG A 65 8.700 10.570 6.983 1.00 0.00 C ATOM 1050 CG ARG A 65 9.917 9.880 6.362 1.00 0.00 C ATOM 1051 CD ARG A 65 11.203 10.277 7.090 1.00 0.00 C ATOM 1052 NE ARG A 65 11.606 9.205 8.027 1.00 0.00 N ATOM 1053 CZ ARG A 65 12.751 9.216 8.742 1.00 0.00 C ATOM 1054 NH1 ARG A 65 13.617 10.245 8.633 1.00 0.00 N ATOM 1055 NH2 ARG A 65 13.010 8.205 9.550 1.00 0.00 N ATOM 0 HA ARG A 65 7.849 10.210 5.046 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.949 11.603 7.228 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.435 10.076 7.918 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.789 8.799 6.407 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.994 10.149 5.308 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.999 10.458 6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.049 11.209 7.635 1.00 0.00 H new ATOM 0 HE ARG A 65 10.980 8.408 8.140 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.409 11.023 8.007 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.480 10.245 9.177 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.350 7.431 9.627 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.871 8.197 10.098 1.00 0.00 H new ATOM 1069 N VAL A 66 5.873 9.934 7.693 1.00 0.00 N ATOM 1070 CA VAL A 66 4.857 9.104 8.318 1.00 0.00 C ATOM 1071 C VAL A 66 3.662 8.970 7.372 1.00 0.00 C ATOM 1072 O VAL A 66 3.235 7.859 7.058 1.00 0.00 O ATOM 1073 CB VAL A 66 4.477 9.680 9.683 1.00 0.00 C ATOM 1074 CG1 VAL A 66 5.685 9.709 10.621 1.00 0.00 C ATOM 1075 CG2 VAL A 66 3.861 11.073 9.538 1.00 0.00 C ATOM 0 H VAL A 66 6.084 10.798 8.192 1.00 0.00 H new ATOM 0 HA VAL A 66 5.242 8.101 8.500 1.00 0.00 H new ATOM 0 HB VAL A 66 3.725 9.026 10.125 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.388 10.123 11.585 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.061 8.696 10.762 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.469 10.329 10.186 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.600 11.460 10.523 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.580 11.741 9.065 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.963 11.012 8.923 1.00 0.00 H new ATOM 1085 N ALA A 67 3.155 10.117 6.944 1.00 0.00 N ATOM 1086 CA ALA A 67 2.017 10.141 6.040 1.00 0.00 C ATOM 1087 C ALA A 67 2.491 9.819 4.622 1.00 0.00 C ATOM 1088 O ALA A 67 2.008 8.873 4.002 1.00 0.00 O ATOM 1089 CB ALA A 67 1.324 11.503 6.129 1.00 0.00 C ATOM 0 H ALA A 67 3.511 11.036 7.206 1.00 0.00 H new ATOM 0 HA ALA A 67 1.286 9.384 6.322 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.470 11.522 5.451 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.981 11.671 7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.027 12.288 5.849 1.00 0.00 H new ATOM 1095 N ALA A 68 3.431 10.625 4.149 1.00 0.00 N ATOM 1096 CA ALA A 68 3.976 10.437 2.815 1.00 0.00 C ATOM 1097 C ALA A 68 4.171 8.942 2.554 1.00 0.00 C ATOM 1098 O ALA A 68 3.859 8.452 1.470 1.00 0.00 O ATOM 1099 CB ALA A 68 5.279 11.228 2.680 1.00 0.00 C ATOM 0 H ALA A 68 3.829 11.409 4.666 1.00 0.00 H new ATOM 0 HA ALA A 68 3.285 10.815 2.061 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.688 11.087 1.680 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.081 12.287 2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.998 10.874 3.419 1.00 0.00 H new ATOM 1105 N GLN A 69 4.686 8.260 3.566 1.00 0.00 N ATOM 1106 CA GLN A 69 4.926 6.831 3.460 1.00 0.00 C ATOM 1107 C GLN A 69 3.603 6.064 3.513 1.00 0.00 C ATOM 1108 O GLN A 69 3.257 5.350 2.574 1.00 0.00 O ATOM 1109 CB GLN A 69 5.882 6.352 4.555 1.00 0.00 C ATOM 1110 CG GLN A 69 6.227 4.873 4.374 1.00 0.00 C ATOM 1111 CD GLN A 69 6.566 4.221 5.716 1.00 0.00 C ATOM 1112 OE1 GLN A 69 5.701 3.878 6.505 1.00 0.00 O ATOM 1113 NE2 GLN A 69 7.870 4.069 5.929 1.00 0.00 N ATOM 0 H GLN A 69 4.944 8.670 4.463 1.00 0.00 H new ATOM 0 HA GLN A 69 5.399 6.633 2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.795 6.947 4.532 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.426 6.506 5.533 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.386 4.353 3.915 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.073 4.774 3.693 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.541 4.378 5.226 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.199 3.643 6.795 1.00 0.00 H new ATOM 1122 N ALA A 70 2.900 6.239 4.623 1.00 0.00 N ATOM 1123 CA ALA A 70 1.622 5.572 4.811 1.00 0.00 C ATOM 1124 C ALA A 70 0.841 5.595 3.495 1.00 0.00 C ATOM 1125 O ALA A 70 0.099 4.662 3.194 1.00 0.00 O ATOM 1126 CB ALA A 70 0.859 6.245 5.954 1.00 0.00 C ATOM 0 H ALA A 70 3.191 6.832 5.400 1.00 0.00 H new ATOM 0 HA ALA A 70 1.770 4.528 5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.099 5.745 6.096 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.443 6.176 6.872 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.689 7.294 5.710 1.00 0.00 H new ATOM 1132 N CYS A 71 1.036 6.671 2.747 1.00 0.00 N ATOM 1133 CA CYS A 71 0.359 6.827 1.471 1.00 0.00 C ATOM 1134 C CYS A 71 1.074 5.953 0.438 1.00 0.00 C ATOM 1135 O CYS A 71 0.440 5.150 -0.246 1.00 0.00 O ATOM 1136 CB CYS A 71 0.302 8.293 1.037 1.00 0.00 C ATOM 1137 SG CYS A 71 -0.666 8.451 -0.509 1.00 0.00 S ATOM 0 H CYS A 71 1.653 7.443 3.000 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.678 6.503 1.564 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -0.152 8.896 1.823 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.311 8.675 0.885 1.00 0.00 H new ATOM 0 HG CYS A 71 -0.710 9.700 -0.868 1.00 0.00 H new ATOM 1143 N ALA A 72 2.383 6.139 0.357 1.00 0.00 N ATOM 1144 CA ALA A 72 3.190 5.377 -0.581 1.00 0.00 C ATOM 1145 C ALA A 72 2.878 3.888 -0.424 1.00 0.00 C ATOM 1146 O ALA A 72 2.317 3.269 -1.327 1.00 0.00 O ATOM 1147 CB ALA A 72 4.670 5.690 -0.352 1.00 0.00 C ATOM 0 H ALA A 72 2.905 6.806 0.925 1.00 0.00 H new ATOM 0 HA ALA A 72 2.952 5.657 -1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.276 5.119 -1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.844 6.755 -0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.946 5.420 0.667 1.00 0.00 H new ATOM 1153 N VAL A 73 3.255 3.355 0.729 1.00 0.00 N ATOM 1154 CA VAL A 73 3.023 1.950 1.016 1.00 0.00 C ATOM 1155 C VAL A 73 1.521 1.664 0.959 1.00 0.00 C ATOM 1156 O VAL A 73 1.091 0.712 0.310 1.00 0.00 O ATOM 1157 CB VAL A 73 3.651 1.579 2.361 1.00 0.00 C ATOM 1158 CG1 VAL A 73 5.139 1.933 2.387 1.00 0.00 C ATOM 1159 CG2 VAL A 73 2.908 2.251 3.517 1.00 0.00 C ATOM 0 H VAL A 73 3.720 3.871 1.476 1.00 0.00 H new ATOM 0 HA VAL A 73 3.503 1.323 0.265 1.00 0.00 H new ATOM 0 HB VAL A 73 3.561 0.500 2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.561 1.659 3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.657 1.388 1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.261 3.004 2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.375 1.971 4.461 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.952 3.334 3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.867 1.928 3.517 1.00 0.00 H new ATOM 1169 N GLY A 74 0.764 2.505 1.648 1.00 0.00 N ATOM 1170 CA GLY A 74 -0.681 2.355 1.684 1.00 0.00 C ATOM 1171 C GLY A 74 -1.224 1.949 0.313 1.00 0.00 C ATOM 1172 O GLY A 74 -1.955 0.966 0.197 1.00 0.00 O ATOM 0 H GLY A 74 1.124 3.293 2.186 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.954 1.603 2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.140 3.293 1.998 1.00 0.00 H new ATOM 1176 N ALA A 75 -0.845 2.725 -0.692 1.00 0.00 N ATOM 1177 CA ALA A 75 -1.285 2.458 -2.051 1.00 0.00 C ATOM 1178 C ALA A 75 -0.684 1.134 -2.526 1.00 0.00 C ATOM 1179 O ALA A 75 -1.413 0.219 -2.908 1.00 0.00 O ATOM 1180 CB ALA A 75 -0.898 3.631 -2.953 1.00 0.00 C ATOM 0 H ALA A 75 -0.238 3.539 -0.592 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.370 2.361 -2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.228 3.431 -3.972 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.374 4.542 -2.590 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.185 3.758 -2.941 1.00 0.00 H new ATOM 1186 N ILE A 76 0.639 1.073 -2.487 1.00 0.00 N ATOM 1187 CA ILE A 76 1.346 -0.124 -2.909 1.00 0.00 C ATOM 1188 C ILE A 76 0.596 -1.358 -2.405 1.00 0.00 C ATOM 1189 O ILE A 76 0.005 -2.095 -3.194 1.00 0.00 O ATOM 1190 CB ILE A 76 2.808 -0.068 -2.462 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.586 0.981 -3.261 1.00 0.00 C ATOM 1192 CG2 ILE A 76 3.460 -1.450 -2.544 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.995 1.166 -2.695 1.00 0.00 C ATOM 0 H ILE A 76 1.240 1.834 -2.169 1.00 0.00 H new ATOM 0 HA ILE A 76 1.371 -0.188 -3.997 1.00 0.00 H new ATOM 0 HB ILE A 76 2.834 0.239 -1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.647 0.676 -4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.053 1.931 -3.237 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.499 -1.382 -2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.923 -2.144 -1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.423 -1.809 -3.572 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.527 1.916 -3.280 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.930 1.494 -1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.534 0.220 -2.743 1.00 0.00 H new ATOM 1205 N MET A 77 0.644 -1.547 -1.095 1.00 0.00 N ATOM 1206 CA MET A 77 -0.024 -2.679 -0.476 1.00 0.00 C ATOM 1207 C MET A 77 -1.500 -2.731 -0.877 1.00 0.00 C ATOM 1208 O MET A 77 -1.974 -3.748 -1.382 1.00 0.00 O ATOM 1209 CB MET A 77 0.089 -2.570 1.046 1.00 0.00 C ATOM 1210 CG MET A 77 0.774 -3.804 1.635 1.00 0.00 C ATOM 1211 SD MET A 77 1.898 -3.318 2.933 1.00 0.00 S ATOM 1212 CE MET A 77 3.435 -3.304 2.024 1.00 0.00 C ATOM 0 H MET A 77 1.136 -0.935 -0.444 1.00 0.00 H new ATOM 0 HA MET A 77 0.459 -3.594 -0.820 1.00 0.00 H new ATOM 0 HB2 MET A 77 0.654 -1.676 1.309 1.00 0.00 H new ATOM 0 HB3 MET A 77 -0.904 -2.459 1.481 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.026 -4.492 2.029 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.316 -4.337 0.854 1.00 0.00 H new ATOM 0 HE1 MET A 77 4.249 -3.018 2.690 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.628 -4.298 1.620 1.00 0.00 H new ATOM 0 HE3 MET A 77 3.367 -2.587 1.206 1.00 0.00 H new ATOM 1222 N LEU A 78 -2.184 -1.623 -0.636 1.00 0.00 N ATOM 1223 CA LEU A 78 -3.597 -1.529 -0.965 1.00 0.00 C ATOM 1224 C LEU A 78 -3.848 -2.210 -2.312 1.00 0.00 C ATOM 1225 O LEU A 78 -4.854 -2.896 -2.487 1.00 0.00 O ATOM 1226 CB LEU A 78 -4.063 -0.073 -0.915 1.00 0.00 C ATOM 1227 CG LEU A 78 -5.460 0.203 -1.475 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -6.505 0.221 -0.357 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -5.476 1.495 -2.295 1.00 0.00 C ATOM 0 H LEU A 78 -1.787 -0.782 -0.217 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.197 -2.056 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.036 0.261 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.346 0.537 -1.465 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.725 -0.611 -2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.489 0.419 -0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.515 -0.745 0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.256 1.002 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.480 1.668 -2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.182 2.332 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.777 1.407 -3.127 1.00 0.00 H new ATOM 1241 N GLY A 79 -2.916 -1.997 -3.230 1.00 0.00 N ATOM 1242 CA GLY A 79 -3.024 -2.581 -4.556 1.00 0.00 C ATOM 1243 C GLY A 79 -2.740 -4.084 -4.518 1.00 0.00 C ATOM 1244 O GLY A 79 -3.538 -4.883 -5.005 1.00 0.00 O ATOM 0 H GLY A 79 -2.083 -1.428 -3.081 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.024 -2.406 -4.954 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.322 -2.092 -5.231 1.00 0.00 H new ATOM 1248 N ALA A 80 -1.599 -4.423 -3.934 1.00 0.00 N ATOM 1249 CA ALA A 80 -1.200 -5.815 -3.826 1.00 0.00 C ATOM 1250 C ALA A 80 -2.384 -6.645 -3.326 1.00 0.00 C ATOM 1251 O ALA A 80 -2.762 -7.635 -3.952 1.00 0.00 O ATOM 1252 CB ALA A 80 0.019 -5.927 -2.908 1.00 0.00 C ATOM 0 H ALA A 80 -0.939 -3.757 -3.531 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.912 -6.207 -4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.319 -6.972 -2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.842 -5.345 -3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.234 -5.544 -1.919 1.00 0.00 H new ATOM 1258 N VAL A 81 -2.938 -6.210 -2.204 1.00 0.00 N ATOM 1259 CA VAL A 81 -4.073 -6.899 -1.613 1.00 0.00 C ATOM 1260 C VAL A 81 -5.242 -6.886 -2.600 1.00 0.00 C ATOM 1261 O VAL A 81 -5.832 -7.928 -2.883 1.00 0.00 O ATOM 1262 CB VAL A 81 -4.422 -6.271 -0.263 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -3.253 -6.390 0.716 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -4.849 -4.811 -0.432 1.00 0.00 C ATOM 0 H VAL A 81 -2.622 -5.389 -1.688 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.826 -7.942 -1.416 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.265 -6.821 0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.528 -5.936 1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.014 -7.442 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.382 -5.877 0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.092 -4.388 0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.034 -4.243 -0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.726 -4.761 -1.078 1.00 0.00 H new ATOM 1274 N TYR A 82 -5.543 -5.695 -3.096 1.00 0.00 N ATOM 1275 CA TYR A 82 -6.632 -5.532 -4.044 1.00 0.00 C ATOM 1276 C TYR A 82 -6.672 -6.696 -5.037 1.00 0.00 C ATOM 1277 O TYR A 82 -7.701 -7.354 -5.186 1.00 0.00 O ATOM 1278 CB TYR A 82 -6.338 -4.238 -4.806 1.00 0.00 C ATOM 1279 CG TYR A 82 -7.461 -3.202 -4.729 1.00 0.00 C ATOM 1280 CD1 TYR A 82 -7.667 -2.492 -3.564 1.00 0.00 C ATOM 1281 CD2 TYR A 82 -8.269 -2.978 -5.825 1.00 0.00 C ATOM 1282 CE1 TYR A 82 -8.724 -1.517 -3.491 1.00 0.00 C ATOM 1283 CE2 TYR A 82 -9.327 -2.003 -5.753 1.00 0.00 C ATOM 1284 CZ TYR A 82 -9.502 -1.321 -4.590 1.00 0.00 C ATOM 1285 OH TYR A 82 -10.501 -0.401 -4.522 1.00 0.00 O ATOM 0 H TYR A 82 -5.051 -4.833 -2.859 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.591 -5.504 -3.526 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.423 -3.796 -4.412 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.151 -4.479 -5.852 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.035 -2.668 -2.706 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.108 -3.534 -6.737 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -8.895 -0.954 -2.585 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.967 -1.818 -6.603 1.00 0.00 H new ATOM 0 HH TYR A 82 -10.973 -0.367 -5.380 1.00 0.00 H new ATOM 1295 N THR A 83 -5.540 -6.914 -5.691 1.00 0.00 N ATOM 1296 CA THR A 83 -5.434 -7.986 -6.665 1.00 0.00 C ATOM 1297 C THR A 83 -5.523 -9.347 -5.972 1.00 0.00 C ATOM 1298 O THR A 83 -6.117 -10.282 -6.506 1.00 0.00 O ATOM 1299 CB THR A 83 -4.134 -7.787 -7.447 1.00 0.00 C ATOM 1300 OG1 THR A 83 -4.403 -6.668 -8.288 1.00 0.00 O ATOM 1301 CG2 THR A 83 -3.858 -8.930 -8.426 1.00 0.00 C ATOM 0 H THR A 83 -4.689 -6.366 -5.565 1.00 0.00 H new ATOM 0 HA THR A 83 -6.263 -7.961 -7.372 1.00 0.00 H new ATOM 0 HB THR A 83 -3.301 -7.698 -6.749 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.611 -6.468 -8.830 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.924 -8.739 -8.955 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.779 -9.868 -7.877 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.674 -8.998 -9.145 1.00 0.00 H new ATOM 1309 N MET A 84 -4.923 -9.415 -4.793 1.00 0.00 N ATOM 1310 CA MET A 84 -4.927 -10.646 -4.021 1.00 0.00 C ATOM 1311 C MET A 84 -6.357 -11.101 -3.722 1.00 0.00 C ATOM 1312 O MET A 84 -6.819 -12.104 -4.263 1.00 0.00 O ATOM 1313 CB MET A 84 -4.175 -10.428 -2.706 1.00 0.00 C ATOM 1314 CG MET A 84 -3.138 -11.529 -2.478 1.00 0.00 C ATOM 1315 SD MET A 84 -3.916 -12.955 -1.738 1.00 0.00 S ATOM 1316 CE MET A 84 -2.472 -13.828 -1.154 1.00 0.00 C ATOM 0 H MET A 84 -4.431 -8.637 -4.353 1.00 0.00 H new ATOM 0 HA MET A 84 -4.434 -11.421 -4.607 1.00 0.00 H new ATOM 0 HB2 MET A 84 -3.681 -9.456 -2.722 1.00 0.00 H new ATOM 0 HB3 MET A 84 -4.882 -10.412 -1.877 1.00 0.00 H new ATOM 0 HG2 MET A 84 -2.676 -11.807 -3.425 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.342 -11.162 -1.831 1.00 0.00 H new ATOM 0 HE1 MET A 84 -2.779 -14.751 -0.662 1.00 0.00 H new ATOM 0 HE2 MET A 84 -1.824 -14.065 -1.998 1.00 0.00 H new ATOM 0 HE3 MET A 84 -1.930 -13.202 -0.445 1.00 0.00 H new ATOM 1326 N TYR A 85 -7.017 -10.342 -2.860 1.00 0.00 N ATOM 1327 CA TYR A 85 -8.385 -10.654 -2.482 1.00 0.00 C ATOM 1328 C TYR A 85 -9.295 -10.708 -3.711 1.00 0.00 C ATOM 1329 O TYR A 85 -10.186 -11.552 -3.792 1.00 0.00 O ATOM 1330 CB TYR A 85 -8.843 -9.512 -1.573 1.00 0.00 C ATOM 1331 CG TYR A 85 -9.739 -9.958 -0.416 1.00 0.00 C ATOM 1332 CD1 TYR A 85 -11.107 -10.019 -0.587 1.00 0.00 C ATOM 1333 CD2 TYR A 85 -9.179 -10.300 0.798 1.00 0.00 C ATOM 1334 CE1 TYR A 85 -11.950 -10.439 0.502 1.00 0.00 C ATOM 1335 CE2 TYR A 85 -10.023 -10.720 1.887 1.00 0.00 C ATOM 1336 CZ TYR A 85 -11.367 -10.769 1.685 1.00 0.00 C ATOM 1337 OH TYR A 85 -12.163 -11.166 2.714 1.00 0.00 O ATOM 0 H TYR A 85 -6.630 -9.511 -2.412 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.435 -11.625 -1.990 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.965 -9.011 -1.166 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.380 -8.777 -2.173 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.545 -9.752 -1.537 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -8.108 -10.253 0.932 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.022 -10.491 0.382 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.598 -10.990 2.842 1.00 0.00 H new ATOM 0 HH TYR A 85 -11.609 -11.371 3.496 1.00 0.00 H new ATOM 1347 N SER A 86 -9.038 -9.796 -4.638 1.00 0.00 N ATOM 1348 CA SER A 86 -9.823 -9.729 -5.859 1.00 0.00 C ATOM 1349 C SER A 86 -9.792 -11.081 -6.576 1.00 0.00 C ATOM 1350 O SER A 86 -10.832 -11.710 -6.766 1.00 0.00 O ATOM 1351 CB SER A 86 -9.307 -8.626 -6.785 1.00 0.00 C ATOM 1352 OG SER A 86 -9.876 -8.714 -8.089 1.00 0.00 O ATOM 0 H SER A 86 -8.298 -9.098 -4.568 1.00 0.00 H new ATOM 0 HA SER A 86 -10.852 -9.490 -5.591 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.539 -7.652 -6.353 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.221 -8.692 -6.858 1.00 0.00 H new ATOM 0 HG SER A 86 -9.523 -7.992 -8.649 1.00 0.00 H new ATOM 1358 N ASP A 87 -8.589 -11.487 -6.953 1.00 0.00 N ATOM 1359 CA ASP A 87 -8.410 -12.753 -7.645 1.00 0.00 C ATOM 1360 C ASP A 87 -8.919 -13.890 -6.757 1.00 0.00 C ATOM 1361 O ASP A 87 -9.452 -14.881 -7.256 1.00 0.00 O ATOM 1362 CB ASP A 87 -6.932 -13.012 -7.944 1.00 0.00 C ATOM 1363 CG ASP A 87 -6.540 -12.890 -9.418 1.00 0.00 C ATOM 1364 OD1 ASP A 87 -6.800 -11.748 -9.958 1.00 0.00 O ATOM 1365 OD2 ASP A 87 -6.011 -13.837 -10.019 1.00 0.00 O ATOM 0 H ASP A 87 -7.729 -10.963 -6.793 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.965 -12.708 -8.582 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.331 -12.311 -7.365 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.677 -14.013 -7.597 1.00 0.00 H new ATOM 1370 N TYR A 88 -8.739 -13.710 -5.457 1.00 0.00 N ATOM 1371 CA TYR A 88 -9.173 -14.709 -4.496 1.00 0.00 C ATOM 1372 C TYR A 88 -10.621 -15.128 -4.757 1.00 0.00 C ATOM 1373 O TYR A 88 -11.044 -16.206 -4.342 1.00 0.00 O ATOM 1374 CB TYR A 88 -9.089 -14.039 -3.123 1.00 0.00 C ATOM 1375 CG TYR A 88 -8.752 -14.999 -1.981 1.00 0.00 C ATOM 1376 CD1 TYR A 88 -7.720 -15.904 -2.123 1.00 0.00 C ATOM 1377 CD2 TYR A 88 -9.479 -14.959 -0.809 1.00 0.00 C ATOM 1378 CE1 TYR A 88 -7.402 -16.808 -1.048 1.00 0.00 C ATOM 1379 CE2 TYR A 88 -9.161 -15.863 0.266 1.00 0.00 C ATOM 1380 CZ TYR A 88 -8.139 -16.743 0.094 1.00 0.00 C ATOM 1381 OH TYR A 88 -7.839 -17.596 1.109 1.00 0.00 O ATOM 0 H TYR A 88 -8.298 -12.887 -5.047 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.552 -15.602 -4.564 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.333 -13.254 -3.159 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.042 -13.555 -2.908 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.151 -15.934 -3.040 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.286 -14.250 -0.698 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.597 -17.521 -1.146 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.722 -15.842 1.189 1.00 0.00 H new ATOM 0 HH TYR A 88 -8.446 -17.436 1.861 1.00 0.00 H new ATOM 1391 N VAL A 89 -11.342 -14.254 -5.445 1.00 0.00 N ATOM 1392 CA VAL A 89 -12.733 -14.520 -5.767 1.00 0.00 C ATOM 1393 C VAL A 89 -12.833 -15.848 -6.520 1.00 0.00 C ATOM 1394 O VAL A 89 -12.025 -16.126 -7.405 1.00 0.00 O ATOM 1395 CB VAL A 89 -13.324 -13.344 -6.548 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -12.776 -13.303 -7.975 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -14.853 -13.399 -6.548 1.00 0.00 C ATOM 0 H VAL A 89 -10.988 -13.361 -5.788 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.324 -14.617 -4.856 1.00 0.00 H new ATOM 0 HB VAL A 89 -13.022 -12.424 -6.048 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -13.212 -12.458 -8.508 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.692 -13.193 -7.945 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -13.033 -14.229 -8.490 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -15.248 -12.552 -7.110 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -15.184 -14.328 -7.012 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -15.219 -13.356 -5.522 1.00 0.00 H new