USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 419 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 19 GLN : amide:sc= -1.31 K(o=-1.3,f=-7.2!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 24 LYS NZ :NH3+ 160:sc= 0.0157 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.603 USER MOD Single : A 37 GLN : amide:sc= -0.134 K(o=-0.13,f=-1.5!) USER MOD Single : A 38 GLN : amide:sc= -0.179 K(o=-0.18,f=-1.1) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.0068) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 229 N GLN A 19 1.352 -7.294 -2.831 1.00 0.00 N ATOM 230 CA GLN A 19 0.932 -6.685 -1.580 1.00 0.00 C ATOM 231 C GLN A 19 2.076 -6.715 -0.565 1.00 0.00 C ATOM 232 O GLN A 19 2.808 -7.700 -0.478 1.00 0.00 O ATOM 233 CB GLN A 19 -0.313 -7.378 -1.024 1.00 0.00 C ATOM 234 CG GLN A 19 -1.564 -6.964 -1.801 1.00 0.00 C ATOM 235 CD GLN A 19 -2.635 -6.407 -0.861 1.00 0.00 C ATOM 236 OE1 GLN A 19 -2.856 -5.211 -0.767 1.00 0.00 O ATOM 237 NE2 GLN A 19 -3.286 -7.340 -0.171 1.00 0.00 N ATOM 0 HA GLN A 19 0.672 -5.644 -1.774 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.187 -8.459 -1.080 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.434 -7.125 0.029 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.302 -6.212 -2.545 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.961 -7.823 -2.342 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.051 -8.325 -0.297 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.020 -7.071 0.484 1.00 0.00 H new ATOM 246 N VAL A 20 2.194 -5.624 0.178 1.00 0.00 N ATOM 247 CA VAL A 20 3.237 -5.513 1.184 1.00 0.00 C ATOM 248 C VAL A 20 2.609 -5.110 2.520 1.00 0.00 C ATOM 249 O VAL A 20 1.768 -4.215 2.570 1.00 0.00 O ATOM 250 CB VAL A 20 4.317 -4.538 0.713 1.00 0.00 C ATOM 251 CG1 VAL A 20 4.799 -4.892 -0.696 1.00 0.00 C ATOM 252 CG2 VAL A 20 3.817 -3.093 0.775 1.00 0.00 C ATOM 0 H VAL A 20 1.585 -4.809 0.103 1.00 0.00 H new ATOM 0 HA VAL A 20 3.729 -6.474 1.332 1.00 0.00 H new ATOM 0 HB VAL A 20 5.167 -4.627 1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.567 -4.183 -1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.214 -5.900 -0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.960 -4.845 -1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.605 -2.421 0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.943 -2.983 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.547 -2.845 1.801 1.00 0.00 H new ATOM 262 N GLU A 21 3.043 -5.791 3.571 1.00 0.00 N ATOM 263 CA GLU A 21 2.535 -5.515 4.903 1.00 0.00 C ATOM 264 C GLU A 21 3.453 -4.530 5.629 1.00 0.00 C ATOM 265 O GLU A 21 4.614 -4.839 5.894 1.00 0.00 O ATOM 266 CB GLU A 21 2.372 -6.808 5.707 1.00 0.00 C ATOM 267 CG GLU A 21 1.766 -6.525 7.083 1.00 0.00 C ATOM 268 CD GLU A 21 1.396 -7.827 7.796 1.00 0.00 C ATOM 269 OE1 GLU A 21 2.181 -8.791 7.662 1.00 0.00 O ATOM 270 OE2 GLU A 21 0.337 -7.829 8.460 1.00 0.00 O ATOM 0 H GLU A 21 3.741 -6.533 3.526 1.00 0.00 H new ATOM 0 HA GLU A 21 1.550 -5.059 4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.734 -7.502 5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.342 -7.292 5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.477 -5.963 7.689 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.879 -5.902 6.973 1.00 0.00 H new ATOM 277 N ILE A 22 2.899 -3.365 5.930 1.00 0.00 N ATOM 278 CA ILE A 22 3.654 -2.333 6.619 1.00 0.00 C ATOM 279 C ILE A 22 4.072 -2.848 7.998 1.00 0.00 C ATOM 280 O ILE A 22 3.250 -3.384 8.740 1.00 0.00 O ATOM 281 CB ILE A 22 2.858 -1.027 6.666 1.00 0.00 C ATOM 282 CG1 ILE A 22 2.368 -0.634 5.271 1.00 0.00 C ATOM 283 CG2 ILE A 22 3.673 0.088 7.324 1.00 0.00 C ATOM 284 CD1 ILE A 22 3.546 -0.371 4.330 1.00 0.00 C ATOM 0 H ILE A 22 1.936 -3.113 5.709 1.00 0.00 H new ATOM 0 HA ILE A 22 4.569 -2.102 6.073 1.00 0.00 H new ATOM 0 HB ILE A 22 1.974 -1.186 7.284 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.743 -1.429 4.864 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.745 0.258 5.338 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.084 1.005 7.345 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.930 -0.202 8.343 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.587 0.256 6.754 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.170 -0.094 3.345 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.155 0.441 4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.153 -1.273 4.246 1.00 0.00 H new ATOM 296 N THR A 23 5.350 -2.668 8.300 1.00 0.00 N ATOM 297 CA THR A 23 5.887 -3.108 9.576 1.00 0.00 C ATOM 298 C THR A 23 5.724 -2.011 10.630 1.00 0.00 C ATOM 299 O THR A 23 5.279 -2.277 11.746 1.00 0.00 O ATOM 300 CB THR A 23 7.341 -3.529 9.358 1.00 0.00 C ATOM 301 OG1 THR A 23 7.966 -2.360 8.835 1.00 0.00 O ATOM 302 CG2 THR A 23 7.489 -4.563 8.239 1.00 0.00 C ATOM 0 H THR A 23 6.029 -2.223 7.682 1.00 0.00 H new ATOM 0 HA THR A 23 5.339 -3.968 9.960 1.00 0.00 H new ATOM 0 HB THR A 23 7.744 -3.937 10.285 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.914 -2.544 8.666 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.540 -4.828 8.125 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.915 -5.455 8.490 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.117 -4.143 7.304 1.00 0.00 H new ATOM 310 N LYS A 24 6.092 -0.800 10.239 1.00 0.00 N ATOM 311 CA LYS A 24 5.993 0.339 11.136 1.00 0.00 C ATOM 312 C LYS A 24 5.088 1.401 10.507 1.00 0.00 C ATOM 313 O LYS A 24 5.002 1.502 9.284 1.00 0.00 O ATOM 314 CB LYS A 24 7.385 0.856 11.502 1.00 0.00 C ATOM 315 CG LYS A 24 8.143 1.320 10.256 1.00 0.00 C ATOM 316 CD LYS A 24 9.587 0.815 10.273 1.00 0.00 C ATOM 317 CE LYS A 24 10.121 0.633 8.851 1.00 0.00 C ATOM 318 NZ LYS A 24 11.568 0.322 8.876 1.00 0.00 N ATOM 0 H LYS A 24 6.459 -0.582 9.313 1.00 0.00 H new ATOM 0 HA LYS A 24 5.531 0.043 12.078 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.296 1.683 12.207 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.949 0.069 12.003 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.637 0.956 9.362 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.135 2.409 10.206 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.217 1.521 10.814 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.638 -0.133 10.809 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.579 -0.171 8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.948 1.540 8.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.843 -0.123 7.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.110 1.200 9.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.769 -0.330 9.661 1.00 0.00 H new ATOM 332 N ALA A 25 4.438 2.166 11.371 1.00 0.00 N ATOM 333 CA ALA A 25 3.543 3.216 10.915 1.00 0.00 C ATOM 334 C ALA A 25 4.343 4.254 10.126 1.00 0.00 C ATOM 335 O ALA A 25 5.327 4.797 10.627 1.00 0.00 O ATOM 336 CB ALA A 25 2.820 3.828 12.117 1.00 0.00 C ATOM 0 H ALA A 25 4.513 2.080 12.385 1.00 0.00 H new ATOM 0 HA ALA A 25 2.782 2.810 10.249 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.149 4.616 11.775 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.244 3.056 12.627 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.552 4.249 12.806 1.00 0.00 H new ATOM 342 N PHE A 26 3.891 4.500 8.905 1.00 0.00 N ATOM 343 CA PHE A 26 4.552 5.464 8.042 1.00 0.00 C ATOM 344 C PHE A 26 3.777 6.783 7.998 1.00 0.00 C ATOM 345 O PHE A 26 2.562 6.787 7.808 1.00 0.00 O ATOM 346 CB PHE A 26 4.585 4.858 6.638 1.00 0.00 C ATOM 347 CG PHE A 26 5.193 5.778 5.577 1.00 0.00 C ATOM 348 CD1 PHE A 26 6.314 6.493 5.859 1.00 0.00 C ATOM 349 CD2 PHE A 26 4.611 5.881 4.352 1.00 0.00 C ATOM 350 CE1 PHE A 26 6.879 7.347 4.875 1.00 0.00 C ATOM 351 CE2 PHE A 26 5.175 6.734 3.367 1.00 0.00 C ATOM 352 CZ PHE A 26 6.297 7.449 3.649 1.00 0.00 C ATOM 0 H PHE A 26 3.075 4.048 8.493 1.00 0.00 H new ATOM 0 HA PHE A 26 5.553 5.675 8.418 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.154 3.929 6.668 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.569 4.600 6.341 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.775 6.412 6.832 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.720 5.314 4.128 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.770 7.915 5.099 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.713 6.815 2.394 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.726 8.098 2.900 1.00 0.00 H new ATOM 362 N PHE A 27 4.513 7.870 8.176 1.00 0.00 N ATOM 363 CA PHE A 27 3.910 9.192 8.158 1.00 0.00 C ATOM 364 C PHE A 27 4.180 9.901 6.830 1.00 0.00 C ATOM 365 O PHE A 27 5.311 10.299 6.553 1.00 0.00 O ATOM 366 CB PHE A 27 4.555 9.993 9.291 1.00 0.00 C ATOM 367 CG PHE A 27 4.125 9.550 10.690 1.00 0.00 C ATOM 368 CD1 PHE A 27 3.010 10.083 11.260 1.00 0.00 C ATOM 369 CD2 PHE A 27 4.856 8.623 11.366 1.00 0.00 C ATOM 370 CE1 PHE A 27 2.611 9.672 12.559 1.00 0.00 C ATOM 371 CE2 PHE A 27 4.456 8.212 12.665 1.00 0.00 C ATOM 372 CZ PHE A 27 3.342 8.745 13.234 1.00 0.00 C ATOM 0 H PHE A 27 5.521 7.863 8.333 1.00 0.00 H new ATOM 0 HA PHE A 27 2.830 9.110 8.281 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.639 9.907 9.211 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.308 11.047 9.163 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.429 10.819 10.724 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.741 8.199 10.914 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.727 10.096 13.011 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.037 7.476 13.201 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.038 8.432 14.222 1.00 0.00 H new ATOM 382 N ALA A 28 3.123 10.037 6.043 1.00 0.00 N ATOM 383 CA ALA A 28 3.233 10.691 4.750 1.00 0.00 C ATOM 384 C ALA A 28 3.254 12.208 4.950 1.00 0.00 C ATOM 385 O ALA A 28 2.315 12.778 5.502 1.00 0.00 O ATOM 386 CB ALA A 28 2.081 10.239 3.849 1.00 0.00 C ATOM 0 H ALA A 28 2.187 9.706 6.276 1.00 0.00 H new ATOM 0 HA ALA A 28 4.163 10.410 4.257 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.164 10.730 2.879 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.127 9.158 3.714 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.131 10.507 4.311 1.00 0.00 H new ATOM 392 N LYS A 29 4.337 12.818 4.491 1.00 0.00 N ATOM 393 CA LYS A 29 4.494 14.258 4.613 1.00 0.00 C ATOM 394 C LYS A 29 4.033 14.928 3.317 1.00 0.00 C ATOM 395 O LYS A 29 3.551 16.060 3.337 1.00 0.00 O ATOM 396 CB LYS A 29 5.929 14.609 5.010 1.00 0.00 C ATOM 397 CG LYS A 29 6.889 14.397 3.838 1.00 0.00 C ATOM 398 CD LYS A 29 7.682 13.099 4.006 1.00 0.00 C ATOM 399 CE LYS A 29 9.176 13.336 3.775 1.00 0.00 C ATOM 400 NZ LYS A 29 9.954 12.936 4.969 1.00 0.00 N ATOM 0 H LYS A 29 5.114 12.342 4.034 1.00 0.00 H new ATOM 0 HA LYS A 29 3.863 14.644 5.414 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.975 15.647 5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.238 13.992 5.854 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.327 14.366 2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.576 15.241 3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.524 12.699 5.008 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.316 12.351 3.303 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.511 12.767 2.908 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.354 14.388 3.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.966 13.103 4.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.646 13.497 5.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.798 11.926 5.163 1.00 0.00 H new ATOM 414 N GLN A 30 4.196 14.201 2.221 1.00 0.00 N ATOM 415 CA GLN A 30 3.802 14.711 0.919 1.00 0.00 C ATOM 416 C GLN A 30 2.387 14.245 0.572 1.00 0.00 C ATOM 417 O GLN A 30 1.906 13.251 1.115 1.00 0.00 O ATOM 418 CB GLN A 30 4.799 14.286 -0.160 1.00 0.00 C ATOM 419 CG GLN A 30 6.107 15.070 -0.038 1.00 0.00 C ATOM 420 CD GLN A 30 6.541 15.628 -1.395 1.00 0.00 C ATOM 421 OE1 GLN A 30 6.223 16.746 -1.766 1.00 0.00 O ATOM 422 NE2 GLN A 30 7.283 14.789 -2.113 1.00 0.00 N ATOM 0 H GLN A 30 4.596 13.263 2.208 1.00 0.00 H new ATOM 0 HA GLN A 30 3.804 15.800 0.961 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.001 13.218 -0.073 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.364 14.449 -1.146 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.980 15.888 0.672 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.888 14.422 0.359 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.513 13.867 -1.743 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.622 15.068 -3.034 1.00 0.00 H new ATOM 431 N ALA A 31 1.759 14.985 -0.331 1.00 0.00 N ATOM 432 CA ALA A 31 0.409 14.660 -0.756 1.00 0.00 C ATOM 433 C ALA A 31 0.449 13.438 -1.677 1.00 0.00 C ATOM 434 O ALA A 31 -0.595 12.914 -2.064 1.00 0.00 O ATOM 435 CB ALA A 31 -0.221 15.879 -1.433 1.00 0.00 C ATOM 0 H ALA A 31 2.161 15.808 -0.779 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.213 14.406 0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.234 15.635 -1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.253 16.710 -0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.375 16.161 -2.301 1.00 0.00 H new ATOM 441 N ASP A 32 1.664 13.020 -2.000 1.00 0.00 N ATOM 442 CA ASP A 32 1.853 11.870 -2.868 1.00 0.00 C ATOM 443 C ASP A 32 2.027 10.614 -2.011 1.00 0.00 C ATOM 444 O ASP A 32 1.692 9.512 -2.444 1.00 0.00 O ATOM 445 CB ASP A 32 3.107 12.031 -3.730 1.00 0.00 C ATOM 446 CG ASP A 32 4.291 12.701 -3.030 1.00 0.00 C ATOM 447 OD1 ASP A 32 4.904 12.023 -2.178 1.00 0.00 O ATOM 448 OD2 ASP A 32 4.557 13.876 -3.364 1.00 0.00 O ATOM 0 H ASP A 32 2.527 13.457 -1.676 1.00 0.00 H new ATOM 0 HA ASP A 32 0.979 11.787 -3.514 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.420 11.046 -4.078 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.849 12.614 -4.614 1.00 0.00 H new ATOM 453 N GLU A 33 2.551 10.822 -0.812 1.00 0.00 N ATOM 454 CA GLU A 33 2.773 9.720 0.109 1.00 0.00 C ATOM 455 C GLU A 33 1.451 9.285 0.745 1.00 0.00 C ATOM 456 O GLU A 33 0.426 9.940 0.564 1.00 0.00 O ATOM 457 CB GLU A 33 3.798 10.098 1.179 1.00 0.00 C ATOM 458 CG GLU A 33 5.213 10.130 0.597 1.00 0.00 C ATOM 459 CD GLU A 33 6.205 10.726 1.598 1.00 0.00 C ATOM 460 OE1 GLU A 33 6.011 10.473 2.807 1.00 0.00 O ATOM 461 OE2 GLU A 33 7.134 11.420 1.132 1.00 0.00 O ATOM 0 H GLU A 33 2.828 11.737 -0.457 1.00 0.00 H new ATOM 0 HA GLU A 33 3.177 8.878 -0.453 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.550 11.074 1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.754 9.381 1.999 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.523 9.120 0.330 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.219 10.718 -0.321 1.00 0.00 H new ATOM 468 N VAL A 34 1.518 8.182 1.477 1.00 0.00 N ATOM 469 CA VAL A 34 0.339 7.652 2.141 1.00 0.00 C ATOM 470 C VAL A 34 0.727 7.143 3.530 1.00 0.00 C ATOM 471 O VAL A 34 1.672 6.367 3.669 1.00 0.00 O ATOM 472 CB VAL A 34 -0.312 6.576 1.270 1.00 0.00 C ATOM 473 CG1 VAL A 34 0.734 5.597 0.734 1.00 0.00 C ATOM 474 CG2 VAL A 34 -1.410 5.839 2.039 1.00 0.00 C ATOM 0 H VAL A 34 2.370 7.641 1.625 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.407 8.435 2.279 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.775 7.071 0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.244 4.843 0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.464 6.138 0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.240 5.112 1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.857 5.080 1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.980 5.362 2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.177 6.549 2.348 1.00 0.00 H new ATOM 484 N THR A 35 -0.021 7.600 4.523 1.00 0.00 N ATOM 485 CA THR A 35 0.233 7.200 5.897 1.00 0.00 C ATOM 486 C THR A 35 -0.282 5.780 6.143 1.00 0.00 C ATOM 487 O THR A 35 -1.441 5.479 5.862 1.00 0.00 O ATOM 488 CB THR A 35 -0.400 8.244 6.818 1.00 0.00 C ATOM 489 OG1 THR A 35 0.264 9.457 6.476 1.00 0.00 O ATOM 490 CG2 THR A 35 -0.039 8.024 8.289 1.00 0.00 C ATOM 0 H THR A 35 -0.803 8.244 4.404 1.00 0.00 H new ATOM 0 HA THR A 35 1.302 7.165 6.108 1.00 0.00 H new ATOM 0 HB THR A 35 -1.484 8.220 6.703 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.087 10.188 7.026 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.514 8.792 8.899 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.388 7.041 8.606 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.043 8.081 8.411 1.00 0.00 H new ATOM 498 N LEU A 36 0.605 4.946 6.665 1.00 0.00 N ATOM 499 CA LEU A 36 0.255 3.565 6.952 1.00 0.00 C ATOM 500 C LEU A 36 0.446 3.295 8.446 1.00 0.00 C ATOM 501 O LEU A 36 0.878 4.175 9.189 1.00 0.00 O ATOM 502 CB LEU A 36 1.043 2.614 6.050 1.00 0.00 C ATOM 503 CG LEU A 36 1.301 3.102 4.623 1.00 0.00 C ATOM 504 CD1 LEU A 36 2.724 2.763 4.176 1.00 0.00 C ATOM 505 CD2 LEU A 36 0.250 2.551 3.657 1.00 0.00 C ATOM 0 H LEU A 36 1.565 5.200 6.897 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.796 3.384 6.726 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.004 2.410 6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.506 1.667 5.997 1.00 0.00 H new ATOM 0 HG LEU A 36 1.211 4.188 4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.881 3.121 3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.439 3.243 4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.867 1.683 4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.456 2.913 2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.284 1.462 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.740 2.886 3.967 1.00 0.00 H new ATOM 517 N GLN A 37 0.113 2.075 8.842 1.00 0.00 N ATOM 518 CA GLN A 37 0.243 1.678 10.233 1.00 0.00 C ATOM 519 C GLN A 37 0.913 0.306 10.334 1.00 0.00 C ATOM 520 O GLN A 37 0.945 -0.446 9.362 1.00 0.00 O ATOM 521 CB GLN A 37 -1.119 1.676 10.932 1.00 0.00 C ATOM 522 CG GLN A 37 -1.596 3.103 11.208 1.00 0.00 C ATOM 523 CD GLN A 37 -0.901 3.685 12.441 1.00 0.00 C ATOM 524 OE1 GLN A 37 -0.474 2.976 13.337 1.00 0.00 O ATOM 525 NE2 GLN A 37 -0.812 5.012 12.436 1.00 0.00 N ATOM 0 H GLN A 37 -0.247 1.348 8.223 1.00 0.00 H new ATOM 0 HA GLN A 37 0.875 2.407 10.741 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.850 1.158 10.311 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.050 1.124 11.869 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.393 3.732 10.341 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.675 3.107 11.359 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.191 5.546 11.654 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.365 5.496 13.215 1.00 0.00 H new ATOM 534 N GLN A 38 1.432 0.022 11.520 1.00 0.00 N ATOM 535 CA GLN A 38 2.099 -1.246 11.760 1.00 0.00 C ATOM 536 C GLN A 38 1.155 -2.409 11.451 1.00 0.00 C ATOM 537 O GLN A 38 0.065 -2.496 12.015 1.00 0.00 O ATOM 538 CB GLN A 38 2.618 -1.328 13.197 1.00 0.00 C ATOM 539 CG GLN A 38 3.266 -2.687 13.469 1.00 0.00 C ATOM 540 CD GLN A 38 2.565 -3.408 14.623 1.00 0.00 C ATOM 541 OE1 GLN A 38 1.375 -3.260 14.850 1.00 0.00 O ATOM 542 NE2 GLN A 38 3.366 -4.193 15.337 1.00 0.00 N ATOM 0 H GLN A 38 1.404 0.648 12.325 1.00 0.00 H new ATOM 0 HA GLN A 38 2.958 -1.315 11.093 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.344 -0.534 13.371 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.796 -1.167 13.894 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.221 -3.302 12.570 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.321 -2.550 13.708 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.353 -4.272 15.093 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.993 -4.717 16.129 1.00 0.00 H new ATOM 551 N ALA A 39 1.608 -3.275 10.555 1.00 0.00 N ATOM 552 CA ALA A 39 0.818 -4.429 10.164 1.00 0.00 C ATOM 553 C ALA A 39 -0.350 -3.970 9.289 1.00 0.00 C ATOM 554 O ALA A 39 -1.492 -4.371 9.510 1.00 0.00 O ATOM 555 CB ALA A 39 0.350 -5.176 11.415 1.00 0.00 C ATOM 0 H ALA A 39 2.512 -3.200 10.089 1.00 0.00 H new ATOM 0 HA ALA A 39 1.419 -5.123 9.575 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.243 -6.042 11.121 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.217 -5.507 11.987 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.258 -4.512 12.029 1.00 0.00 H new ATOM 561 N ASP A 40 -0.023 -3.135 8.313 1.00 0.00 N ATOM 562 CA ASP A 40 -1.031 -2.617 7.403 1.00 0.00 C ATOM 563 C ASP A 40 -0.751 -3.135 5.991 1.00 0.00 C ATOM 564 O ASP A 40 0.391 -3.121 5.535 1.00 0.00 O ATOM 565 CB ASP A 40 -1.000 -1.088 7.360 1.00 0.00 C ATOM 566 CG ASP A 40 -1.756 -0.393 8.494 1.00 0.00 C ATOM 567 OD1 ASP A 40 -1.745 -0.955 9.611 1.00 0.00 O ATOM 568 OD2 ASP A 40 -2.328 0.684 8.219 1.00 0.00 O ATOM 0 H ASP A 40 0.925 -2.805 8.133 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.007 -2.948 7.757 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.039 -0.760 7.382 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.418 -0.758 6.409 1.00 0.00 H new ATOM 573 N VAL A 41 -1.815 -3.580 5.337 1.00 0.00 N ATOM 574 CA VAL A 41 -1.698 -4.102 3.986 1.00 0.00 C ATOM 575 C VAL A 41 -2.005 -2.987 2.985 1.00 0.00 C ATOM 576 O VAL A 41 -2.929 -2.201 3.190 1.00 0.00 O ATOM 577 CB VAL A 41 -2.605 -5.323 3.817 1.00 0.00 C ATOM 578 CG1 VAL A 41 -2.727 -5.715 2.343 1.00 0.00 C ATOM 579 CG2 VAL A 41 -2.103 -6.499 4.658 1.00 0.00 C ATOM 0 H VAL A 41 -2.761 -3.590 5.718 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.680 -4.440 3.794 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.599 -5.055 4.176 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.377 -6.585 2.251 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.151 -4.884 1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.740 -5.955 1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.765 -7.354 4.520 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.094 -6.767 4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.092 -6.215 5.710 1.00 0.00 H new ATOM 589 N VAL A 42 -1.212 -2.953 1.924 1.00 0.00 N ATOM 590 CA VAL A 42 -1.387 -1.947 0.891 1.00 0.00 C ATOM 591 C VAL A 42 -1.278 -2.610 -0.484 1.00 0.00 C ATOM 592 O VAL A 42 -0.373 -3.408 -0.723 1.00 0.00 O ATOM 593 CB VAL A 42 -0.380 -0.812 1.089 1.00 0.00 C ATOM 594 CG1 VAL A 42 -0.364 0.124 -0.121 1.00 0.00 C ATOM 595 CG2 VAL A 42 -0.670 -0.040 2.377 1.00 0.00 C ATOM 0 H VAL A 42 -0.447 -3.606 1.758 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.378 -1.499 0.959 1.00 0.00 H new ATOM 0 HB VAL A 42 0.611 -1.256 1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.360 0.922 0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.086 -0.438 -1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.355 0.556 -0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.060 0.761 2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.672 0.387 2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.605 -0.717 3.229 1.00 0.00 H new ATOM 605 N LEU A 43 -2.214 -2.255 -1.352 1.00 0.00 N ATOM 606 CA LEU A 43 -2.235 -2.805 -2.697 1.00 0.00 C ATOM 607 C LEU A 43 -1.327 -1.968 -3.600 1.00 0.00 C ATOM 608 O LEU A 43 -1.641 -0.818 -3.907 1.00 0.00 O ATOM 609 CB LEU A 43 -3.672 -2.921 -3.207 1.00 0.00 C ATOM 610 CG LEU A 43 -3.865 -3.723 -4.495 1.00 0.00 C ATOM 611 CD1 LEU A 43 -3.645 -5.217 -4.249 1.00 0.00 C ATOM 612 CD2 LEU A 43 -5.234 -3.440 -5.118 1.00 0.00 C ATOM 0 H LEU A 43 -2.963 -1.593 -1.150 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.839 -3.820 -2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.278 -3.377 -2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.062 -1.916 -3.367 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.112 -3.401 -5.214 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.788 -5.764 -5.181 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.631 -5.380 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.359 -5.572 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.345 -4.023 -6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.018 -3.717 -4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.315 -2.379 -5.352 1.00 0.00 H new ATOM 624 N VAL A 44 -0.220 -2.576 -4.001 1.00 0.00 N ATOM 625 CA VAL A 44 0.734 -1.900 -4.863 1.00 0.00 C ATOM 626 C VAL A 44 0.097 -1.661 -6.234 1.00 0.00 C ATOM 627 O VAL A 44 -0.704 -2.469 -6.699 1.00 0.00 O ATOM 628 CB VAL A 44 2.032 -2.707 -4.940 1.00 0.00 C ATOM 629 CG1 VAL A 44 3.059 -2.010 -5.834 1.00 0.00 C ATOM 630 CG2 VAL A 44 2.603 -2.962 -3.544 1.00 0.00 C ATOM 0 H VAL A 44 0.037 -3.529 -3.745 1.00 0.00 H new ATOM 0 HA VAL A 44 0.996 -0.925 -4.452 1.00 0.00 H new ATOM 0 HB VAL A 44 1.799 -3.673 -5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.972 -2.604 -5.871 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.653 -1.904 -6.840 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.285 -1.024 -5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.525 -3.537 -3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.812 -2.010 -3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.879 -3.521 -2.951 1.00 0.00 H new ATOM 640 N LEU A 45 0.478 -0.547 -6.841 1.00 0.00 N ATOM 641 CA LEU A 45 -0.046 -0.190 -8.148 1.00 0.00 C ATOM 642 C LEU A 45 1.118 0.043 -9.113 1.00 0.00 C ATOM 643 O LEU A 45 1.058 -0.362 -10.273 1.00 0.00 O ATOM 644 CB LEU A 45 -1.000 1.000 -8.037 1.00 0.00 C ATOM 645 CG LEU A 45 -2.266 0.770 -7.209 1.00 0.00 C ATOM 646 CD1 LEU A 45 -2.634 2.022 -6.410 1.00 0.00 C ATOM 647 CD2 LEU A 45 -3.421 0.295 -8.093 1.00 0.00 C ATOM 0 H LEU A 45 1.144 0.121 -6.452 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.640 -1.008 -8.556 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.454 1.839 -7.604 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.297 1.297 -9.043 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.063 -0.023 -6.490 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.537 1.831 -5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.817 2.276 -5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.811 2.852 -7.095 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.308 0.139 -7.480 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.632 1.049 -8.852 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.146 -0.642 -8.578 1.00 0.00 H new ATOM 659 N GLN A 46 2.150 0.695 -8.598 1.00 0.00 N ATOM 660 CA GLN A 46 3.327 0.986 -9.400 1.00 0.00 C ATOM 661 C GLN A 46 4.597 0.779 -8.573 1.00 0.00 C ATOM 662 O GLN A 46 4.773 1.408 -7.531 1.00 0.00 O ATOM 663 CB GLN A 46 3.266 2.407 -9.966 1.00 0.00 C ATOM 664 CG GLN A 46 2.651 2.413 -11.367 1.00 0.00 C ATOM 665 CD GLN A 46 1.527 3.446 -11.467 1.00 0.00 C ATOM 666 OE1 GLN A 46 1.733 4.641 -11.338 1.00 0.00 O ATOM 667 NE2 GLN A 46 0.328 2.919 -11.704 1.00 0.00 N ATOM 0 H GLN A 46 2.196 1.030 -7.636 1.00 0.00 H new ATOM 0 HA GLN A 46 3.349 0.295 -10.243 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.677 3.041 -9.304 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.270 2.831 -10.004 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.421 2.636 -12.105 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.261 1.422 -11.601 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.225 1.909 -11.801 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.488 3.525 -11.788 1.00 0.00 H new ATOM 676 N GLN A 47 5.451 -0.105 -9.069 1.00 0.00 N ATOM 677 CA GLN A 47 6.700 -0.402 -8.390 1.00 0.00 C ATOM 678 C GLN A 47 7.852 0.372 -9.033 1.00 0.00 C ATOM 679 O GLN A 47 8.269 0.059 -10.147 1.00 0.00 O ATOM 680 CB GLN A 47 6.981 -1.906 -8.393 1.00 0.00 C ATOM 681 CG GLN A 47 6.511 -2.554 -7.089 1.00 0.00 C ATOM 682 CD GLN A 47 6.326 -4.063 -7.262 1.00 0.00 C ATOM 683 OE1 GLN A 47 5.227 -4.563 -7.438 1.00 0.00 O ATOM 684 NE2 GLN A 47 7.458 -4.758 -7.203 1.00 0.00 N ATOM 0 H GLN A 47 5.302 -0.625 -9.934 1.00 0.00 H new ATOM 0 HA GLN A 47 6.610 -0.084 -7.351 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.475 -2.372 -9.238 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.049 -2.080 -8.525 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.238 -2.361 -6.300 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.571 -2.103 -6.773 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.345 -4.277 -7.053 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.440 -5.772 -7.308 1.00 0.00 H new ATOM 693 N GLU A 48 8.333 1.368 -8.303 1.00 0.00 N ATOM 694 CA GLU A 48 9.429 2.189 -8.789 1.00 0.00 C ATOM 695 C GLU A 48 10.633 2.076 -7.851 1.00 0.00 C ATOM 696 O GLU A 48 10.548 2.440 -6.679 1.00 0.00 O ATOM 697 CB GLU A 48 8.993 3.647 -8.948 1.00 0.00 C ATOM 698 CG GLU A 48 9.601 4.267 -10.207 1.00 0.00 C ATOM 699 CD GLU A 48 9.766 5.780 -10.049 1.00 0.00 C ATOM 700 OE1 GLU A 48 8.777 6.418 -9.627 1.00 0.00 O ATOM 701 OE2 GLU A 48 10.878 6.265 -10.353 1.00 0.00 O ATOM 0 H GLU A 48 7.984 1.625 -7.380 1.00 0.00 H new ATOM 0 HA GLU A 48 9.723 1.823 -9.773 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.906 3.701 -9.000 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.299 4.219 -8.072 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.570 3.811 -10.409 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.964 4.055 -11.065 1.00 0.00 H new ATOM 708 N ASP A 49 11.727 1.571 -8.403 1.00 0.00 N ATOM 709 CA ASP A 49 12.946 1.406 -7.631 1.00 0.00 C ATOM 710 C ASP A 49 13.135 2.619 -6.718 1.00 0.00 C ATOM 711 O ASP A 49 13.526 3.691 -7.177 1.00 0.00 O ATOM 712 CB ASP A 49 14.169 1.307 -8.546 1.00 0.00 C ATOM 713 CG ASP A 49 15.223 0.289 -8.108 1.00 0.00 C ATOM 714 OD1 ASP A 49 14.901 -0.508 -7.201 1.00 0.00 O ATOM 715 OD2 ASP A 49 16.328 0.331 -8.692 1.00 0.00 O ATOM 0 H ASP A 49 11.794 1.271 -9.376 1.00 0.00 H new ATOM 0 HA ASP A 49 12.855 0.488 -7.050 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.833 1.050 -9.550 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.638 2.289 -8.608 1.00 0.00 H new ATOM 720 N GLY A 50 12.850 2.409 -5.441 1.00 0.00 N ATOM 721 CA GLY A 50 12.983 3.472 -4.460 1.00 0.00 C ATOM 722 C GLY A 50 11.687 3.654 -3.668 1.00 0.00 C ATOM 723 O GLY A 50 11.704 3.678 -2.438 1.00 0.00 O ATOM 0 H GLY A 50 12.527 1.518 -5.063 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.801 3.241 -3.777 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.240 4.405 -4.962 1.00 0.00 H new ATOM 727 N TRP A 51 10.593 3.776 -4.406 1.00 0.00 N ATOM 728 CA TRP A 51 9.290 3.955 -3.788 1.00 0.00 C ATOM 729 C TRP A 51 8.314 2.982 -4.454 1.00 0.00 C ATOM 730 O TRP A 51 8.391 2.747 -5.659 1.00 0.00 O ATOM 731 CB TRP A 51 8.835 5.413 -3.878 1.00 0.00 C ATOM 732 CG TRP A 51 9.557 6.350 -2.908 1.00 0.00 C ATOM 733 CD1 TRP A 51 10.794 6.854 -3.013 1.00 0.00 C ATOM 734 CD2 TRP A 51 9.031 6.879 -1.672 1.00 0.00 C ATOM 735 NE1 TRP A 51 11.103 7.666 -1.941 1.00 0.00 N ATOM 736 CE2 TRP A 51 9.996 7.681 -1.099 1.00 0.00 C ATOM 737 CE3 TRP A 51 7.780 6.687 -1.059 1.00 0.00 C ATOM 738 CZ2 TRP A 51 9.813 8.355 0.114 1.00 0.00 C ATOM 739 CZ3 TRP A 51 7.612 7.366 0.153 1.00 0.00 C ATOM 740 CH2 TRP A 51 8.575 8.177 0.743 1.00 0.00 C ATOM 0 H TRP A 51 10.582 3.754 -5.426 1.00 0.00 H new ATOM 0 HA TRP A 51 9.334 3.730 -2.722 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.991 5.770 -4.896 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.763 5.461 -3.684 1.00 0.00 H new ATOM 0 HD1 TRP A 51 11.465 6.650 -3.834 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.981 8.163 -1.793 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.010 6.065 -1.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 10.585 8.978 0.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 6.668 7.252 0.666 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.369 8.668 1.683 1.00 0.00 H new ATOM 751 N LEU A 52 7.418 2.443 -3.640 1.00 0.00 N ATOM 752 CA LEU A 52 6.428 1.502 -4.135 1.00 0.00 C ATOM 753 C LEU A 52 5.029 2.096 -3.952 1.00 0.00 C ATOM 754 O LEU A 52 4.557 2.245 -2.826 1.00 0.00 O ATOM 755 CB LEU A 52 6.607 0.136 -3.469 1.00 0.00 C ATOM 756 CG LEU A 52 8.052 -0.329 -3.271 1.00 0.00 C ATOM 757 CD1 LEU A 52 8.750 -0.537 -4.616 1.00 0.00 C ATOM 758 CD2 LEU A 52 8.821 0.640 -2.371 1.00 0.00 C ATOM 0 H LEU A 52 7.357 2.640 -2.641 1.00 0.00 H new ATOM 0 HA LEU A 52 6.566 1.331 -5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.118 0.162 -2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.085 -0.610 -4.069 1.00 0.00 H new ATOM 0 HG LEU A 52 8.034 -1.294 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.775 -0.867 -4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.215 -1.293 -5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.758 0.401 -5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.845 0.286 -2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.832 1.630 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.335 0.695 -1.397 1.00 0.00 H new ATOM 770 N TYR A 53 4.407 2.418 -5.076 1.00 0.00 N ATOM 771 CA TYR A 53 3.072 2.993 -5.055 1.00 0.00 C ATOM 772 C TYR A 53 2.014 1.911 -4.826 1.00 0.00 C ATOM 773 O TYR A 53 2.146 0.794 -5.323 1.00 0.00 O ATOM 774 CB TYR A 53 2.858 3.615 -6.436 1.00 0.00 C ATOM 775 CG TYR A 53 1.656 4.557 -6.514 1.00 0.00 C ATOM 776 CD1 TYR A 53 1.560 5.628 -5.649 1.00 0.00 C ATOM 777 CD2 TYR A 53 0.666 4.336 -7.450 1.00 0.00 C ATOM 778 CE1 TYR A 53 0.428 6.515 -5.723 1.00 0.00 C ATOM 779 CE2 TYR A 53 -0.466 5.223 -7.524 1.00 0.00 C ATOM 780 CZ TYR A 53 -0.529 6.268 -6.657 1.00 0.00 C ATOM 781 OH TYR A 53 -1.599 7.106 -6.726 1.00 0.00 O ATOM 0 H TYR A 53 4.802 2.292 -6.008 1.00 0.00 H new ATOM 0 HA TYR A 53 2.981 3.722 -4.250 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.756 4.164 -6.719 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.729 2.817 -7.167 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.334 5.801 -4.916 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.740 3.498 -8.127 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.341 7.357 -5.052 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.247 5.062 -8.252 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.202 6.809 -7.440 1.00 0.00 H new ATOM 791 N GLY A 54 0.988 2.282 -4.075 1.00 0.00 N ATOM 792 CA GLY A 54 -0.092 1.358 -3.774 1.00 0.00 C ATOM 793 C GLY A 54 -1.252 2.077 -3.082 1.00 0.00 C ATOM 794 O GLY A 54 -1.185 3.281 -2.840 1.00 0.00 O ATOM 0 H GLY A 54 0.882 3.210 -3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.445 0.893 -4.695 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.278 0.557 -3.134 1.00 0.00 H new ATOM 798 N GLU A 55 -2.289 1.308 -2.784 1.00 0.00 N ATOM 799 CA GLU A 55 -3.462 1.856 -2.125 1.00 0.00 C ATOM 800 C GLU A 55 -3.704 1.145 -0.792 1.00 0.00 C ATOM 801 O GLU A 55 -3.953 -0.060 -0.764 1.00 0.00 O ATOM 802 CB GLU A 55 -4.694 1.761 -3.028 1.00 0.00 C ATOM 803 CG GLU A 55 -5.975 2.041 -2.240 1.00 0.00 C ATOM 804 CD GLU A 55 -6.751 0.749 -1.978 1.00 0.00 C ATOM 805 OE1 GLU A 55 -7.174 0.129 -2.977 1.00 0.00 O ATOM 806 OE2 GLU A 55 -6.903 0.411 -0.784 1.00 0.00 O ATOM 0 H GLU A 55 -2.341 0.310 -2.987 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.280 2.912 -1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.604 2.474 -3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.747 0.768 -3.474 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.726 2.518 -1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.602 2.740 -2.794 1.00 0.00 H new ATOM 813 N ARG A 56 -3.621 1.919 0.280 1.00 0.00 N ATOM 814 CA ARG A 56 -3.827 1.378 1.612 1.00 0.00 C ATOM 815 C ARG A 56 -5.283 0.944 1.789 1.00 0.00 C ATOM 816 O ARG A 56 -6.178 1.782 1.882 1.00 0.00 O ATOM 817 CB ARG A 56 -3.476 2.409 2.686 1.00 0.00 C ATOM 818 CG ARG A 56 -3.388 1.755 4.067 1.00 0.00 C ATOM 819 CD ARG A 56 -2.890 2.752 5.115 1.00 0.00 C ATOM 820 NE ARG A 56 -3.798 3.919 5.175 1.00 0.00 N ATOM 821 CZ ARG A 56 -3.940 4.706 6.251 1.00 0.00 C ATOM 822 NH1 ARG A 56 -3.234 4.456 7.362 1.00 0.00 N ATOM 823 NH2 ARG A 56 -4.787 5.744 6.215 1.00 0.00 N ATOM 0 H ARG A 56 -3.414 2.917 0.253 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.170 0.515 1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.525 2.883 2.443 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.230 3.196 2.700 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.368 1.376 4.357 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.715 0.899 4.026 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.838 2.270 6.091 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.880 3.079 4.867 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.350 4.138 4.346 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.588 3.667 7.389 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.342 5.055 8.181 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.324 5.935 5.369 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.895 6.343 7.034 1.00 0.00 H new ATOM 837 N LEU A 57 -5.476 -0.367 1.831 1.00 0.00 N ATOM 838 CA LEU A 57 -6.808 -0.923 1.995 1.00 0.00 C ATOM 839 C LEU A 57 -7.447 -0.340 3.257 1.00 0.00 C ATOM 840 O LEU A 57 -8.670 -0.243 3.350 1.00 0.00 O ATOM 841 CB LEU A 57 -6.756 -2.452 1.981 1.00 0.00 C ATOM 842 CG LEU A 57 -6.329 -3.096 0.661 1.00 0.00 C ATOM 843 CD1 LEU A 57 -7.116 -2.512 -0.514 1.00 0.00 C ATOM 844 CD2 LEU A 57 -4.818 -2.975 0.455 1.00 0.00 C ATOM 0 H LEU A 57 -4.731 -1.060 1.754 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.445 -0.642 1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.069 -2.780 2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.743 -2.832 2.245 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.563 -4.159 0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.793 -2.987 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.180 -2.694 -0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.936 -1.439 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.541 -3.441 -0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.536 -1.922 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.298 -3.476 1.272 1.00 0.00 H new ATOM 856 N ARG A 58 -6.591 0.031 4.198 1.00 0.00 N ATOM 857 CA ARG A 58 -7.056 0.601 5.451 1.00 0.00 C ATOM 858 C ARG A 58 -8.208 1.575 5.195 1.00 0.00 C ATOM 859 O ARG A 58 -9.340 1.327 5.608 1.00 0.00 O ATOM 860 CB ARG A 58 -5.927 1.336 6.175 1.00 0.00 C ATOM 861 CG ARG A 58 -6.353 1.740 7.588 1.00 0.00 C ATOM 862 CD ARG A 58 -5.217 1.516 8.588 1.00 0.00 C ATOM 863 NE ARG A 58 -5.760 1.454 9.964 1.00 0.00 N ATOM 864 CZ ARG A 58 -5.144 0.848 10.988 1.00 0.00 C ATOM 865 NH1 ARG A 58 -3.960 0.248 10.798 1.00 0.00 N ATOM 866 NH2 ARG A 58 -5.710 0.841 12.202 1.00 0.00 N ATOM 0 H ARG A 58 -5.578 -0.052 4.118 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.401 -0.219 6.080 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.046 0.696 6.226 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.644 2.224 5.609 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.648 2.789 7.597 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.226 1.161 7.888 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.692 0.590 8.353 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.489 2.324 8.511 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.659 1.901 10.144 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.528 0.253 9.874 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.491 -0.213 11.578 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.611 1.297 12.347 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.240 0.379 12.981 1.00 0.00 H new ATOM 880 N ASP A 59 -7.879 2.665 4.516 1.00 0.00 N ATOM 881 CA ASP A 59 -8.872 3.678 4.201 1.00 0.00 C ATOM 882 C ASP A 59 -9.114 3.696 2.690 1.00 0.00 C ATOM 883 O ASP A 59 -10.191 4.079 2.235 1.00 0.00 O ATOM 884 CB ASP A 59 -8.392 5.069 4.619 1.00 0.00 C ATOM 885 CG ASP A 59 -9.205 6.232 4.049 1.00 0.00 C ATOM 886 OD1 ASP A 59 -10.436 6.225 4.268 1.00 0.00 O ATOM 887 OD2 ASP A 59 -8.578 7.103 3.408 1.00 0.00 O ATOM 0 H ASP A 59 -6.939 2.868 4.176 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.786 3.434 4.743 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.411 5.131 5.707 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.353 5.186 4.311 1.00 0.00 H new ATOM 892 N GLY A 60 -8.095 3.277 1.955 1.00 0.00 N ATOM 893 CA GLY A 60 -8.183 3.240 0.505 1.00 0.00 C ATOM 894 C GLY A 60 -7.471 4.442 -0.118 1.00 0.00 C ATOM 895 O GLY A 60 -7.864 4.918 -1.183 1.00 0.00 O ATOM 0 H GLY A 60 -7.204 2.960 2.336 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.738 2.317 0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.230 3.235 0.201 1.00 0.00 H new ATOM 899 N GLU A 61 -6.435 4.898 0.571 1.00 0.00 N ATOM 900 CA GLU A 61 -5.665 6.036 0.098 1.00 0.00 C ATOM 901 C GLU A 61 -4.477 5.560 -0.742 1.00 0.00 C ATOM 902 O GLU A 61 -3.654 4.776 -0.271 1.00 0.00 O ATOM 903 CB GLU A 61 -5.196 6.905 1.267 1.00 0.00 C ATOM 904 CG GLU A 61 -3.963 7.724 0.881 1.00 0.00 C ATOM 905 CD GLU A 61 -3.865 8.997 1.724 1.00 0.00 C ATOM 906 OE1 GLU A 61 -3.652 8.853 2.947 1.00 0.00 O ATOM 907 OE2 GLU A 61 -4.007 10.086 1.126 1.00 0.00 O ATOM 0 H GLU A 61 -6.111 4.500 1.453 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.309 6.649 -0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.000 7.574 1.573 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.964 6.273 2.124 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.065 7.122 1.019 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.012 7.986 -0.176 1.00 0.00 H new ATOM 914 N THR A 62 -4.426 6.054 -1.970 1.00 0.00 N ATOM 915 CA THR A 62 -3.354 5.689 -2.880 1.00 0.00 C ATOM 916 C THR A 62 -2.222 6.717 -2.809 1.00 0.00 C ATOM 917 O THR A 62 -2.417 7.884 -3.145 1.00 0.00 O ATOM 918 CB THR A 62 -3.951 5.539 -4.280 1.00 0.00 C ATOM 919 OG1 THR A 62 -5.326 5.250 -4.041 1.00 0.00 O ATOM 920 CG2 THR A 62 -3.431 4.298 -5.009 1.00 0.00 C ATOM 0 H THR A 62 -5.110 6.704 -2.356 1.00 0.00 H new ATOM 0 HA THR A 62 -2.905 4.736 -2.600 1.00 0.00 H new ATOM 0 HB THR A 62 -3.723 6.428 -4.869 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.790 5.139 -4.897 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.886 4.239 -5.998 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.348 4.364 -5.112 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.688 3.406 -4.438 1.00 0.00 H new ATOM 928 N GLY A 63 -1.064 6.246 -2.370 1.00 0.00 N ATOM 929 CA GLY A 63 0.098 7.109 -2.251 1.00 0.00 C ATOM 930 C GLY A 63 1.388 6.332 -2.524 1.00 0.00 C ATOM 931 O GLY A 63 1.345 5.160 -2.892 1.00 0.00 O ATOM 0 H GLY A 63 -0.906 5.277 -2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.013 7.938 -2.953 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.134 7.541 -1.251 1.00 0.00 H new ATOM 935 N TRP A 64 2.506 7.018 -2.333 1.00 0.00 N ATOM 936 CA TRP A 64 3.805 6.407 -2.554 1.00 0.00 C ATOM 937 C TRP A 64 4.348 5.948 -1.199 1.00 0.00 C ATOM 938 O TRP A 64 4.604 6.768 -0.319 1.00 0.00 O ATOM 939 CB TRP A 64 4.747 7.370 -3.280 1.00 0.00 C ATOM 940 CG TRP A 64 4.472 7.496 -4.780 1.00 0.00 C ATOM 941 CD1 TRP A 64 3.737 8.423 -5.409 1.00 0.00 C ATOM 942 CD2 TRP A 64 4.962 6.623 -5.820 1.00 0.00 C ATOM 943 NE1 TRP A 64 3.717 8.213 -6.773 1.00 0.00 N ATOM 944 CE2 TRP A 64 4.486 7.084 -7.031 1.00 0.00 C ATOM 945 CE3 TRP A 64 5.780 5.483 -5.741 1.00 0.00 C ATOM 946 CZ2 TRP A 64 4.773 6.465 -8.253 1.00 0.00 C ATOM 947 CZ3 TRP A 64 6.058 4.875 -6.971 1.00 0.00 C ATOM 948 CH2 TRP A 64 5.587 5.327 -8.199 1.00 0.00 C ATOM 0 H TRP A 64 2.538 7.991 -2.028 1.00 0.00 H new ATOM 0 HA TRP A 64 3.717 5.538 -3.206 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.666 8.356 -2.822 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.774 7.035 -3.136 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.225 9.233 -4.911 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.228 8.782 -7.464 1.00 0.00 H new ATOM 0 HE3 TRP A 64 6.164 5.106 -4.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 4.387 6.845 -9.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 6.682 3.993 -6.966 1.00 0.00 H new ATOM 0 HH2 TRP A 64 5.848 4.803 -9.107 1.00 0.00 H new ATOM 959 N PHE A 65 4.509 4.639 -1.075 1.00 0.00 N ATOM 960 CA PHE A 65 5.017 4.061 0.158 1.00 0.00 C ATOM 961 C PHE A 65 6.332 3.318 -0.086 1.00 0.00 C ATOM 962 O PHE A 65 6.441 2.533 -1.027 1.00 0.00 O ATOM 963 CB PHE A 65 3.966 3.065 0.651 1.00 0.00 C ATOM 964 CG PHE A 65 3.997 1.718 -0.075 1.00 0.00 C ATOM 965 CD1 PHE A 65 5.001 0.835 0.172 1.00 0.00 C ATOM 966 CD2 PHE A 65 3.019 1.404 -0.966 1.00 0.00 C ATOM 967 CE1 PHE A 65 5.030 -0.415 -0.501 1.00 0.00 C ATOM 968 CE2 PHE A 65 3.047 0.154 -1.640 1.00 0.00 C ATOM 969 CZ PHE A 65 4.052 -0.729 -1.393 1.00 0.00 C ATOM 0 H PHE A 65 4.297 3.962 -1.808 1.00 0.00 H new ATOM 0 HA PHE A 65 5.206 4.848 0.888 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.113 2.895 1.718 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.977 3.508 0.532 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.777 1.085 0.881 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.221 2.105 -1.161 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.828 -1.116 -0.305 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.271 -0.095 -2.348 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.073 -1.680 -1.905 1.00 0.00 H new ATOM 979 N PRO A 66 7.324 3.600 0.800 1.00 0.00 N ATOM 980 CA PRO A 66 8.628 2.967 0.691 1.00 0.00 C ATOM 981 C PRO A 66 8.572 1.512 1.161 1.00 0.00 C ATOM 982 O PRO A 66 7.812 1.177 2.067 1.00 0.00 O ATOM 983 CB PRO A 66 9.555 3.828 1.532 1.00 0.00 C ATOM 984 CG PRO A 66 8.654 4.636 2.452 1.00 0.00 C ATOM 985 CD PRO A 66 7.232 4.524 1.927 1.00 0.00 C ATOM 0 HA PRO A 66 8.984 2.911 -0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.247 3.211 2.106 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.158 4.482 0.903 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.715 4.259 3.473 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.971 5.679 2.477 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.555 4.147 2.694 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.848 5.495 1.613 1.00 0.00 H new ATOM 993 N GLU A 67 9.389 0.686 0.523 1.00 0.00 N ATOM 994 CA GLU A 67 9.443 -0.725 0.865 1.00 0.00 C ATOM 995 C GLU A 67 10.008 -0.909 2.275 1.00 0.00 C ATOM 996 O GLU A 67 9.576 -1.795 3.010 1.00 0.00 O ATOM 997 CB GLU A 67 10.265 -1.507 -0.162 1.00 0.00 C ATOM 998 CG GLU A 67 11.550 -0.757 -0.521 1.00 0.00 C ATOM 999 CD GLU A 67 12.773 -1.665 -0.376 1.00 0.00 C ATOM 1000 OE1 GLU A 67 12.616 -2.876 -0.644 1.00 0.00 O ATOM 1001 OE2 GLU A 67 13.837 -1.128 0.001 1.00 0.00 O ATOM 0 H GLU A 67 10.019 0.967 -0.229 1.00 0.00 H new ATOM 0 HA GLU A 67 8.428 -1.122 0.847 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.513 -2.490 0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.671 -1.669 -1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.486 -0.388 -1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.660 0.114 0.126 1.00 0.00 H new ATOM 1008 N ASP A 68 10.965 -0.056 2.610 1.00 0.00 N ATOM 1009 CA ASP A 68 11.594 -0.113 3.918 1.00 0.00 C ATOM 1010 C ASP A 68 10.512 -0.231 4.994 1.00 0.00 C ATOM 1011 O ASP A 68 10.741 -0.826 6.046 1.00 0.00 O ATOM 1012 CB ASP A 68 12.402 1.156 4.197 1.00 0.00 C ATOM 1013 CG ASP A 68 13.892 0.929 4.461 1.00 0.00 C ATOM 1014 OD1 ASP A 68 14.192 0.201 5.431 1.00 0.00 O ATOM 1015 OD2 ASP A 68 14.697 1.489 3.686 1.00 0.00 O ATOM 0 H ASP A 68 11.320 0.679 1.998 1.00 0.00 H new ATOM 0 HA ASP A 68 12.261 -0.975 3.934 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.298 1.829 3.346 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.969 1.662 5.059 1.00 0.00 H new ATOM 1020 N PHE A 69 9.358 0.347 4.694 1.00 0.00 N ATOM 1021 CA PHE A 69 8.241 0.314 5.622 1.00 0.00 C ATOM 1022 C PHE A 69 7.179 -0.689 5.167 1.00 0.00 C ATOM 1023 O PHE A 69 5.983 -0.443 5.317 1.00 0.00 O ATOM 1024 CB PHE A 69 7.629 1.716 5.635 1.00 0.00 C ATOM 1025 CG PHE A 69 8.571 2.802 6.159 1.00 0.00 C ATOM 1026 CD1 PHE A 69 9.668 3.157 5.437 1.00 0.00 C ATOM 1027 CD2 PHE A 69 8.312 3.411 7.347 1.00 0.00 C ATOM 1028 CE1 PHE A 69 10.542 4.165 5.924 1.00 0.00 C ATOM 1029 CE2 PHE A 69 9.187 4.419 7.833 1.00 0.00 C ATOM 1030 CZ PHE A 69 10.283 4.774 7.111 1.00 0.00 C ATOM 0 H PHE A 69 9.173 0.841 3.821 1.00 0.00 H new ATOM 0 HA PHE A 69 8.587 0.012 6.610 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.320 1.976 4.623 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.729 1.703 6.250 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.874 2.673 4.494 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.442 3.128 7.921 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.413 4.448 5.351 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.982 4.903 8.776 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.948 5.540 7.481 1.00 0.00 H new ATOM 1040 N ALA A 70 7.655 -1.798 4.619 1.00 0.00 N ATOM 1041 CA ALA A 70 6.761 -2.839 4.141 1.00 0.00 C ATOM 1042 C ALA A 70 7.577 -4.086 3.793 1.00 0.00 C ATOM 1043 O ALA A 70 8.772 -3.992 3.515 1.00 0.00 O ATOM 1044 CB ALA A 70 5.959 -2.315 2.948 1.00 0.00 C ATOM 0 H ALA A 70 8.648 -1.998 4.496 1.00 0.00 H new ATOM 0 HA ALA A 70 6.047 -3.118 4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.288 -3.096 2.589 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.375 -1.448 3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.642 -2.028 2.148 1.00 0.00 H new ATOM 1050 N ARG A 71 6.900 -5.224 3.819 1.00 0.00 N ATOM 1051 CA ARG A 71 7.547 -6.487 3.510 1.00 0.00 C ATOM 1052 C ARG A 71 6.779 -7.221 2.408 1.00 0.00 C ATOM 1053 O ARG A 71 5.650 -7.660 2.621 1.00 0.00 O ATOM 1054 CB ARG A 71 7.629 -7.382 4.748 1.00 0.00 C ATOM 1055 CG ARG A 71 8.939 -7.154 5.504 1.00 0.00 C ATOM 1056 CD ARG A 71 9.202 -8.285 6.500 1.00 0.00 C ATOM 1057 NE ARG A 71 9.348 -9.569 5.780 1.00 0.00 N ATOM 1058 CZ ARG A 71 8.335 -10.409 5.528 1.00 0.00 C ATOM 1059 NH1 ARG A 71 7.096 -10.105 5.936 1.00 0.00 N ATOM 1060 NH2 ARG A 71 8.562 -11.553 4.868 1.00 0.00 N ATOM 0 H ARG A 71 5.909 -5.298 4.049 1.00 0.00 H new ATOM 0 HA ARG A 71 8.558 -6.266 3.168 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.785 -7.176 5.406 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.554 -8.428 4.451 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.765 -7.089 4.796 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.897 -6.202 6.033 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.106 -8.074 7.072 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.381 -8.350 7.214 1.00 0.00 H new ATOM 0 HE ARG A 71 10.279 -9.831 5.455 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.924 -9.234 6.438 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.325 -10.744 5.744 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.506 -11.784 4.558 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.791 -12.193 4.676 1.00 0.00 H new ATOM 1074 N PHE A 72 7.423 -7.332 1.255 1.00 0.00 N ATOM 1075 CA PHE A 72 6.815 -8.005 0.120 1.00 0.00 C ATOM 1076 C PHE A 72 6.330 -9.404 0.507 1.00 0.00 C ATOM 1077 O PHE A 72 7.131 -10.329 0.632 1.00 0.00 O ATOM 1078 CB PHE A 72 7.895 -8.132 -0.956 1.00 0.00 C ATOM 1079 CG PHE A 72 7.804 -7.073 -2.057 1.00 0.00 C ATOM 1080 CD1 PHE A 72 6.922 -7.229 -3.079 1.00 0.00 C ATOM 1081 CD2 PHE A 72 8.607 -5.976 -2.012 1.00 0.00 C ATOM 1082 CE1 PHE A 72 6.838 -6.247 -4.101 1.00 0.00 C ATOM 1083 CE2 PHE A 72 8.523 -4.993 -3.034 1.00 0.00 C ATOM 1084 CZ PHE A 72 7.640 -5.150 -4.057 1.00 0.00 C ATOM 0 H PHE A 72 8.360 -6.967 1.083 1.00 0.00 H new ATOM 0 HA PHE A 72 5.955 -7.436 -0.232 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.875 -8.066 -0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.826 -9.120 -1.410 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.285 -8.100 -3.114 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.308 -5.852 -1.200 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.137 -6.371 -4.913 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.160 -4.121 -2.999 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.576 -4.403 -4.834 1.00 0.00 H new