USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 569 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -170:sc= -0.0186 (180deg=-0.155) USER MOD Single : A 18 LYS NZ :NH3+ 177:sc= 1.28 (180deg=1.24) USER MOD Single : A 20 LYS NZ :NH3+ 167:sc= 0.718 (180deg=0.398) USER MOD Single : A 22 THR OG1 : rot 13:sc= 1.05 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.315 K(o=-0.32,f=-1) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 158:sc= -0.125 (180deg=-0.584) USER MOD Single : A 41 LYS NZ :NH3+ 175:sc=-5.42e-05 (180deg=-0.0338) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 27:sc= 0.0845 USER MOD Single : A 47 LYS NZ :NH3+ -111:sc= -0.288 (180deg=-3.96!) USER MOD Single : A 48 GLN : amide:sc= -0.437 K(o=-0.44,f=-1.3) USER MOD Single : A 51 GLN :FLIP amide:sc= -1.34 F(o=-2.5!,f=-1.3) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0763 USER MOD Single : A 60 ASN : amide:sc= -0.437 X(o=-0.44,f=-0.41!) USER MOD Single : A 64 LYS NZ :NH3+ -151:sc= 1.22 (180deg=-0.0873) USER MOD Single : A 69 THR OG1 : rot -170:sc= -0.0708 USER MOD Single : A 73 SER OG : rot -170:sc= -0.0625 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 80:sc= -0.859 USER MOD Single : A 78 LYS NZ :NH3+ -133:sc= 0.906 (180deg=-0.219) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0148 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N GLU A 14 -6.575 -3.045 9.072 1.00 0.00 N ATOM 245 CA GLU A 14 -6.436 -4.373 8.501 1.00 0.00 C ATOM 246 C GLU A 14 -5.041 -4.637 8.013 1.00 0.00 C ATOM 247 O GLU A 14 -4.517 -5.724 8.191 1.00 0.00 O ATOM 248 CB GLU A 14 -7.421 -4.574 7.355 1.00 0.00 C ATOM 249 CG GLU A 14 -8.857 -4.671 7.800 1.00 0.00 C ATOM 250 CD GLU A 14 -9.070 -5.849 8.707 1.00 0.00 C ATOM 251 OE1 GLU A 14 -9.152 -6.996 8.207 1.00 0.00 O ATOM 252 OE2 GLU A 14 -9.160 -5.663 9.940 1.00 0.00 O ATOM 0 HA GLU A 14 -6.655 -5.082 9.300 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.323 -3.745 6.654 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.155 -5.482 6.815 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.142 -3.755 8.317 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.505 -4.759 6.928 1.00 0.00 H new ATOM 259 N ILE A 15 -4.406 -3.606 7.508 1.00 0.00 N ATOM 260 CA ILE A 15 -3.128 -3.743 6.855 1.00 0.00 C ATOM 261 C ILE A 15 -2.051 -4.022 7.868 1.00 0.00 C ATOM 262 O ILE A 15 -1.093 -4.762 7.601 1.00 0.00 O ATOM 263 CB ILE A 15 -2.802 -2.466 5.995 1.00 0.00 C ATOM 264 CG1 ILE A 15 -2.602 -1.197 6.854 1.00 0.00 C ATOM 265 CG2 ILE A 15 -3.909 -2.226 4.984 1.00 0.00 C ATOM 266 CD1 ILE A 15 -1.155 -0.903 7.224 1.00 0.00 C ATOM 0 H ILE A 15 -4.761 -2.650 7.539 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.171 -4.592 6.173 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.859 -2.662 5.485 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.006 -0.341 6.313 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.184 -1.299 7.770 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.676 -1.340 4.393 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.994 -3.090 4.325 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.853 -2.075 5.507 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.111 0.004 7.826 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.749 -1.738 7.795 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.568 -0.765 6.316 1.00 0.00 H new ATOM 278 N LYS A 16 -2.304 -3.523 9.064 1.00 0.00 N ATOM 279 CA LYS A 16 -1.357 -3.519 10.135 1.00 0.00 C ATOM 280 C LYS A 16 -1.067 -4.910 10.638 1.00 0.00 C ATOM 281 O LYS A 16 0.075 -5.241 10.981 1.00 0.00 O ATOM 282 CB LYS A 16 -1.845 -2.614 11.263 1.00 0.00 C ATOM 283 CG LYS A 16 -2.214 -1.219 10.786 1.00 0.00 C ATOM 284 CD LYS A 16 -2.625 -0.302 11.920 1.00 0.00 C ATOM 285 CE LYS A 16 -1.438 0.034 12.808 1.00 0.00 C ATOM 286 NZ LYS A 16 -1.756 1.024 13.861 1.00 0.00 N ATOM 0 H LYS A 16 -3.199 -3.102 9.311 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.417 -3.123 9.750 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.713 -3.071 11.739 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.068 -2.539 12.023 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.364 -0.782 10.261 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.030 -1.290 10.067 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.051 0.616 11.514 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.404 -0.780 12.514 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.074 -0.880 13.277 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.628 0.420 12.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.906 1.210 14.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.077 1.909 13.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.509 0.650 14.473 1.00 0.00 H new ATOM 300 N LYS A 17 -2.076 -5.724 10.645 1.00 0.00 N ATOM 301 CA LYS A 17 -1.945 -7.066 11.146 1.00 0.00 C ATOM 302 C LYS A 17 -1.969 -8.089 10.008 1.00 0.00 C ATOM 303 O LYS A 17 -1.541 -9.228 10.177 1.00 0.00 O ATOM 304 CB LYS A 17 -3.042 -7.345 12.181 1.00 0.00 C ATOM 305 CG LYS A 17 -2.927 -8.691 12.890 1.00 0.00 C ATOM 306 CD LYS A 17 -3.962 -8.831 13.994 1.00 0.00 C ATOM 307 CE LYS A 17 -3.777 -7.771 15.074 1.00 0.00 C ATOM 308 NZ LYS A 17 -2.457 -7.869 15.743 1.00 0.00 N ATOM 0 H LYS A 17 -3.008 -5.485 10.308 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.977 -7.163 11.637 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.025 -6.553 12.930 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.011 -7.293 11.685 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.054 -9.496 12.166 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.927 -8.797 13.312 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.962 -8.747 13.569 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.887 -9.823 14.440 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.883 -6.781 14.630 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.567 -7.873 15.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.442 -7.245 16.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.292 -8.851 16.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.710 -7.579 15.080 1.00 0.00 H new ATOM 322 N LYS A 18 -2.434 -7.675 8.839 1.00 0.00 N ATOM 323 CA LYS A 18 -2.530 -8.589 7.707 1.00 0.00 C ATOM 324 C LYS A 18 -1.138 -8.906 7.193 1.00 0.00 C ATOM 325 O LYS A 18 -0.819 -10.059 6.918 1.00 0.00 O ATOM 326 CB LYS A 18 -3.348 -7.979 6.586 1.00 0.00 C ATOM 327 CG LYS A 18 -4.116 -8.986 5.744 1.00 0.00 C ATOM 328 CD LYS A 18 -5.266 -9.581 6.546 1.00 0.00 C ATOM 329 CE LYS A 18 -6.255 -8.494 6.974 1.00 0.00 C ATOM 330 NZ LYS A 18 -7.329 -9.012 7.839 1.00 0.00 N ATOM 0 H LYS A 18 -2.748 -6.723 8.648 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.023 -9.501 8.043 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.055 -7.269 7.015 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.682 -7.413 5.935 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.502 -8.501 4.848 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.446 -9.780 5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.782 -10.332 5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.875 -10.090 7.427 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.717 -7.706 7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.696 -8.040 6.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.941 -8.227 8.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.894 -9.708 7.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.912 -9.467 8.676 1.00 0.00 H new ATOM 344 N PHE A 19 -0.314 -7.876 7.045 1.00 0.00 N ATOM 345 CA PHE A 19 1.056 -8.087 6.645 1.00 0.00 C ATOM 346 C PHE A 19 1.868 -8.246 7.910 1.00 0.00 C ATOM 347 O PHE A 19 2.852 -8.986 7.940 1.00 0.00 O ATOM 348 CB PHE A 19 1.580 -6.903 5.809 1.00 0.00 C ATOM 349 CG PHE A 19 2.929 -7.132 5.148 1.00 0.00 C ATOM 350 CD1 PHE A 19 4.108 -6.995 5.859 1.00 0.00 C ATOM 351 CD2 PHE A 19 3.011 -7.456 3.811 1.00 0.00 C ATOM 352 CE1 PHE A 19 5.330 -7.177 5.257 1.00 0.00 C ATOM 353 CE2 PHE A 19 4.238 -7.631 3.206 1.00 0.00 C ATOM 354 CZ PHE A 19 5.401 -7.489 3.930 1.00 0.00 C ATOM 0 H PHE A 19 -0.573 -6.901 7.196 1.00 0.00 H new ATOM 0 HA PHE A 19 1.135 -8.975 6.018 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.848 -6.671 5.036 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.652 -6.026 6.453 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.067 -6.740 6.908 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.107 -7.574 3.232 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.236 -7.073 5.835 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.287 -7.881 2.157 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.360 -7.623 3.452 1.00 0.00 H new ATOM 364 N LYS A 20 1.397 -7.564 8.969 1.00 0.00 N ATOM 365 CA LYS A 20 2.030 -7.574 10.269 1.00 0.00 C ATOM 366 C LYS A 20 3.301 -6.724 10.277 1.00 0.00 C ATOM 367 O LYS A 20 4.413 -7.183 9.993 1.00 0.00 O ATOM 368 CB LYS A 20 2.146 -9.033 10.836 1.00 0.00 C ATOM 369 CG LYS A 20 3.287 -9.355 11.790 1.00 0.00 C ATOM 370 CD LYS A 20 3.315 -8.530 13.048 1.00 0.00 C ATOM 371 CE LYS A 20 4.504 -8.958 13.885 1.00 0.00 C ATOM 372 NZ LYS A 20 5.782 -8.858 13.125 1.00 0.00 N ATOM 0 H LYS A 20 0.556 -6.989 8.930 1.00 0.00 H new ATOM 0 HA LYS A 20 1.391 -7.073 10.997 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.212 -9.265 11.347 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.222 -9.713 9.987 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.225 -10.408 12.065 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.231 -9.219 11.263 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.387 -7.470 12.803 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.390 -8.665 13.609 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.563 -8.335 14.778 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.361 -9.985 14.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.584 -8.943 13.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.828 -9.622 12.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.827 -7.938 12.641 1.00 0.00 H new ATOM 386 N LEU A 21 3.096 -5.443 10.511 1.00 0.00 N ATOM 387 CA LEU A 21 4.194 -4.504 10.556 1.00 0.00 C ATOM 388 C LEU A 21 4.571 -4.243 11.983 1.00 0.00 C ATOM 389 O LEU A 21 5.698 -4.506 12.403 1.00 0.00 O ATOM 390 CB LEU A 21 3.864 -3.156 9.875 1.00 0.00 C ATOM 391 CG LEU A 21 3.244 -3.187 8.452 1.00 0.00 C ATOM 392 CD1 LEU A 21 3.961 -4.172 7.584 1.00 0.00 C ATOM 393 CD2 LEU A 21 1.735 -3.453 8.437 1.00 0.00 C ATOM 0 H LEU A 21 2.177 -5.030 10.673 1.00 0.00 H new ATOM 0 HA LEU A 21 5.019 -4.957 10.007 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.178 -2.613 10.525 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.784 -2.574 9.825 1.00 0.00 H new ATOM 0 HG LEU A 21 3.375 -2.183 8.048 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.511 -4.178 6.591 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.011 -3.890 7.504 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.885 -5.167 8.023 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.377 -3.459 7.408 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.531 -4.419 8.898 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.222 -2.670 8.995 1.00 0.00 H new ATOM 405 N THR A 22 3.598 -3.739 12.716 1.00 0.00 N ATOM 406 CA THR A 22 3.702 -3.343 14.106 1.00 0.00 C ATOM 407 C THR A 22 4.693 -2.208 14.319 1.00 0.00 C ATOM 408 O THR A 22 5.911 -2.395 14.332 1.00 0.00 O ATOM 409 CB THR A 22 3.837 -4.526 15.114 1.00 0.00 C ATOM 410 OG1 THR A 22 4.909 -5.426 14.762 1.00 0.00 O ATOM 411 CG2 THR A 22 2.533 -5.290 15.140 1.00 0.00 C ATOM 0 H THR A 22 2.663 -3.587 12.337 1.00 0.00 H new ATOM 0 HA THR A 22 2.728 -2.925 14.359 1.00 0.00 H new ATOM 0 HB THR A 22 4.069 -4.110 16.094 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.477 -5.008 14.081 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.612 -6.121 15.841 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.728 -4.625 15.454 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.317 -5.675 14.143 1.00 0.00 H new ATOM 459 N GLN A 26 7.570 3.776 7.521 1.00 0.00 N ATOM 460 CA GLN A 26 7.897 4.797 6.552 1.00 0.00 C ATOM 461 C GLN A 26 8.210 4.123 5.219 1.00 0.00 C ATOM 462 O GLN A 26 8.388 2.900 5.172 1.00 0.00 O ATOM 463 CB GLN A 26 9.103 5.616 7.025 1.00 0.00 C ATOM 464 CG GLN A 26 10.385 4.814 7.160 1.00 0.00 C ATOM 465 CD GLN A 26 11.547 5.658 7.608 1.00 0.00 C ATOM 466 OE1 GLN A 26 12.268 6.226 6.789 1.00 0.00 O ATOM 467 NE2 GLN A 26 11.730 5.774 8.888 1.00 0.00 N ATOM 0 HA GLN A 26 7.051 5.475 6.435 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.271 6.433 6.323 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.866 6.067 7.989 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.231 4.005 7.874 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.623 4.352 6.202 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.112 5.288 9.538 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.492 6.351 9.244 1.00 0.00 H new ATOM 476 N VAL A 27 8.283 4.888 4.161 1.00 0.00 N ATOM 477 CA VAL A 27 8.551 4.326 2.858 1.00 0.00 C ATOM 478 C VAL A 27 10.046 4.086 2.658 1.00 0.00 C ATOM 479 O VAL A 27 10.892 4.914 3.037 1.00 0.00 O ATOM 480 CB VAL A 27 7.965 5.185 1.698 1.00 0.00 C ATOM 481 CG1 VAL A 27 8.548 6.572 1.661 1.00 0.00 C ATOM 482 CG2 VAL A 27 8.187 4.517 0.374 1.00 0.00 C ATOM 0 H VAL A 27 8.161 5.901 4.173 1.00 0.00 H new ATOM 0 HA VAL A 27 8.039 3.364 2.825 1.00 0.00 H new ATOM 0 HB VAL A 27 6.896 5.273 1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.107 7.130 0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.333 7.082 2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.627 6.509 1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.769 5.136 -0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.256 4.386 0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.697 3.543 0.371 1.00 0.00 H new ATOM 492 N ILE A 28 10.364 2.955 2.097 1.00 0.00 N ATOM 493 CA ILE A 28 11.728 2.577 1.851 1.00 0.00 C ATOM 494 C ILE A 28 12.139 3.013 0.446 1.00 0.00 C ATOM 495 O ILE A 28 13.230 3.539 0.243 1.00 0.00 O ATOM 496 CB ILE A 28 11.918 1.036 1.995 1.00 0.00 C ATOM 497 CG1 ILE A 28 11.404 0.548 3.364 1.00 0.00 C ATOM 498 CG2 ILE A 28 13.381 0.638 1.802 1.00 0.00 C ATOM 499 CD1 ILE A 28 12.079 1.198 4.555 1.00 0.00 C ATOM 0 H ILE A 28 9.679 2.263 1.794 1.00 0.00 H new ATOM 0 HA ILE A 28 12.357 3.072 2.590 1.00 0.00 H new ATOM 0 HB ILE A 28 11.331 0.555 1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.332 0.735 3.423 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.544 -0.531 3.427 1.00 0.00 H new ATOM 0 HG21 ILE A 28 13.481 -0.442 1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 28 13.711 0.937 0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 28 13.995 1.135 2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.657 0.797 5.476 1.00 0.00 H new ATOM 0 HD12 ILE A 28 13.149 0.990 4.525 1.00 0.00 H new ATOM 0 HD13 ILE A 28 11.918 2.275 4.521 1.00 0.00 H new ATOM 511 N HIS A 29 11.231 2.850 -0.512 1.00 0.00 N ATOM 512 CA HIS A 29 11.509 3.133 -1.936 1.00 0.00 C ATOM 513 C HIS A 29 10.233 3.298 -2.669 1.00 0.00 C ATOM 514 O HIS A 29 9.171 2.988 -2.146 1.00 0.00 O ATOM 515 CB HIS A 29 12.264 1.991 -2.641 1.00 0.00 C ATOM 516 CG HIS A 29 13.711 1.874 -2.319 1.00 0.00 C ATOM 517 ND1 HIS A 29 14.238 0.790 -1.674 1.00 0.00 N ATOM 518 CD2 HIS A 29 14.746 2.707 -2.567 1.00 0.00 C ATOM 519 CE1 HIS A 29 15.536 0.960 -1.530 1.00 0.00 C ATOM 520 NE2 HIS A 29 15.867 2.113 -2.065 1.00 0.00 N ATOM 0 H HIS A 29 10.282 2.520 -0.335 1.00 0.00 H new ATOM 0 HA HIS A 29 12.122 4.034 -1.947 1.00 0.00 H new ATOM 0 HB2 HIS A 29 11.778 1.049 -2.388 1.00 0.00 H new ATOM 0 HB3 HIS A 29 12.161 2.123 -3.718 1.00 0.00 H new ATOM 0 HD2 HIS A 29 14.695 3.662 -3.068 1.00 0.00 H new ATOM 0 HE1 HIS A 29 16.214 0.268 -1.053 1.00 0.00 H new ATOM 0 HE2 HIS A 29 16.810 2.501 -2.100 1.00 0.00 H new ATOM 529 N LEU A 30 10.329 3.710 -3.882 1.00 0.00 N ATOM 530 CA LEU A 30 9.190 3.863 -4.707 1.00 0.00 C ATOM 531 C LEU A 30 9.190 2.768 -5.744 1.00 0.00 C ATOM 532 O LEU A 30 10.187 2.506 -6.389 1.00 0.00 O ATOM 533 CB LEU A 30 9.099 5.257 -5.370 1.00 0.00 C ATOM 534 CG LEU A 30 8.883 6.486 -4.450 1.00 0.00 C ATOM 535 CD1 LEU A 30 10.098 6.790 -3.590 1.00 0.00 C ATOM 536 CD2 LEU A 30 8.494 7.702 -5.275 1.00 0.00 C ATOM 0 H LEU A 30 11.211 3.953 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 30 8.305 3.783 -4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.017 5.419 -5.934 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.282 5.232 -6.091 1.00 0.00 H new ATOM 0 HG LEU A 30 8.068 6.239 -3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.893 7.659 -2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.319 5.931 -2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.955 6.998 -4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.346 8.557 -4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.287 7.927 -5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.570 7.495 -5.814 1.00 0.00 H new ATOM 548 N ALA A 31 8.118 2.082 -5.799 1.00 0.00 N ATOM 549 CA ALA A 31 7.888 1.037 -6.764 1.00 0.00 C ATOM 550 C ALA A 31 6.983 1.501 -7.870 1.00 0.00 C ATOM 551 O ALA A 31 6.221 2.421 -7.721 1.00 0.00 O ATOM 552 CB ALA A 31 7.303 -0.201 -6.111 1.00 0.00 C ATOM 0 H ALA A 31 7.336 2.223 -5.159 1.00 0.00 H new ATOM 0 HA ALA A 31 8.858 0.782 -7.190 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.142 -0.969 -6.867 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.994 -0.575 -5.355 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.352 0.050 -5.641 1.00 0.00 H new ATOM 558 N LYS A 32 7.083 0.865 -8.961 1.00 0.00 N ATOM 559 CA LYS A 32 6.265 1.134 -10.088 1.00 0.00 C ATOM 560 C LYS A 32 5.280 0.014 -10.228 1.00 0.00 C ATOM 561 O LYS A 32 5.663 -1.154 -10.084 1.00 0.00 O ATOM 562 CB LYS A 32 7.133 1.211 -11.342 1.00 0.00 C ATOM 563 CG LYS A 32 6.357 1.287 -12.649 1.00 0.00 C ATOM 564 CD LYS A 32 7.262 1.223 -13.850 1.00 0.00 C ATOM 565 CE LYS A 32 6.459 1.343 -15.130 1.00 0.00 C ATOM 566 NZ LYS A 32 7.308 1.236 -16.322 1.00 0.00 N ATOM 0 H LYS A 32 7.757 0.114 -9.111 1.00 0.00 H new ATOM 0 HA LYS A 32 5.743 2.082 -9.960 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.779 2.086 -11.267 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.783 0.337 -11.372 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.640 0.467 -12.692 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.784 2.214 -12.676 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.999 2.025 -13.800 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.813 0.283 -13.847 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.698 0.563 -15.155 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.936 2.299 -15.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.720 1.323 -17.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.018 1.996 -16.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.788 0.313 -16.325 1.00 0.00 H new ATOM 580 N ALA A 33 4.022 0.344 -10.437 1.00 0.00 N ATOM 581 CA ALA A 33 3.049 -0.636 -10.784 1.00 0.00 C ATOM 582 C ALA A 33 3.421 -1.164 -12.143 1.00 0.00 C ATOM 583 O ALA A 33 3.259 -0.467 -13.151 1.00 0.00 O ATOM 584 CB ALA A 33 1.700 0.009 -10.853 1.00 0.00 C ATOM 0 H ALA A 33 3.661 1.295 -10.369 1.00 0.00 H new ATOM 0 HA ALA A 33 3.018 -1.438 -10.047 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.952 -0.739 -11.119 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.453 0.441 -9.883 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.711 0.795 -11.608 1.00 0.00 H new ATOM 590 N CYS A 34 3.988 -2.333 -12.162 1.00 0.00 N ATOM 591 CA CYS A 34 4.435 -2.945 -13.386 1.00 0.00 C ATOM 592 C CYS A 34 3.236 -3.380 -14.206 1.00 0.00 C ATOM 593 O CYS A 34 3.273 -3.380 -15.444 1.00 0.00 O ATOM 594 CB CYS A 34 5.346 -4.137 -13.074 1.00 0.00 C ATOM 595 SG CYS A 34 6.055 -4.954 -14.519 1.00 0.00 S ATOM 0 H CYS A 34 4.156 -2.895 -11.327 1.00 0.00 H new ATOM 0 HA CYS A 34 5.008 -2.222 -13.966 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.159 -3.796 -12.433 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.777 -4.871 -12.503 1.00 0.00 H new ATOM 0 HG CYS A 34 6.806 -5.942 -14.134 1.00 0.00 H new ATOM 601 N CYS A 35 2.169 -3.690 -13.525 1.00 0.00 N ATOM 602 CA CYS A 35 0.962 -4.142 -14.160 1.00 0.00 C ATOM 603 C CYS A 35 -0.202 -3.373 -13.591 1.00 0.00 C ATOM 604 O CYS A 35 -0.102 -2.812 -12.493 1.00 0.00 O ATOM 605 CB CYS A 35 0.740 -5.634 -13.874 1.00 0.00 C ATOM 606 SG CYS A 35 2.108 -6.720 -14.327 1.00 0.00 S ATOM 0 H CYS A 35 2.111 -3.636 -12.508 1.00 0.00 H new ATOM 0 HA CYS A 35 1.044 -3.985 -15.235 1.00 0.00 H new ATOM 0 HB2 CYS A 35 0.538 -5.757 -12.810 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.153 -5.960 -14.408 1.00 0.00 H new ATOM 0 HG CYS A 35 1.801 -7.949 -14.035 1.00 0.00 H new ATOM 612 N ASP A 36 -1.275 -3.291 -14.343 1.00 0.00 N ATOM 613 CA ASP A 36 -2.505 -2.747 -13.823 1.00 0.00 C ATOM 614 C ASP A 36 -3.159 -3.859 -13.059 1.00 0.00 C ATOM 615 O ASP A 36 -3.522 -4.895 -13.604 1.00 0.00 O ATOM 616 CB ASP A 36 -3.430 -2.117 -14.905 1.00 0.00 C ATOM 617 CG ASP A 36 -4.116 -3.090 -15.842 1.00 0.00 C ATOM 618 OD1 ASP A 36 -3.486 -3.548 -16.820 1.00 0.00 O ATOM 619 OD2 ASP A 36 -5.324 -3.367 -15.647 1.00 0.00 O ATOM 0 H ASP A 36 -1.320 -3.594 -15.316 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.294 -1.898 -13.173 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.196 -1.528 -14.401 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.837 -1.425 -15.503 1.00 0.00 H new ATOM 624 N VAL A 37 -3.207 -3.678 -11.801 1.00 0.00 N ATOM 625 CA VAL A 37 -3.567 -4.706 -10.893 1.00 0.00 C ATOM 626 C VAL A 37 -4.897 -4.432 -10.207 1.00 0.00 C ATOM 627 O VAL A 37 -5.205 -3.304 -9.821 1.00 0.00 O ATOM 628 CB VAL A 37 -2.400 -4.914 -9.911 1.00 0.00 C ATOM 629 CG1 VAL A 37 -2.796 -5.697 -8.721 1.00 0.00 C ATOM 630 CG2 VAL A 37 -1.268 -5.620 -10.624 1.00 0.00 C ATOM 0 H VAL A 37 -2.992 -2.787 -11.353 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.734 -5.637 -11.435 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.083 -3.931 -9.563 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.937 -5.815 -8.061 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.592 -5.175 -8.190 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.151 -6.679 -9.033 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.439 -5.769 -9.932 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.615 -6.587 -10.989 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.933 -5.013 -11.465 1.00 0.00 H new ATOM 640 N LYS A 38 -5.666 -5.467 -10.035 1.00 0.00 N ATOM 641 CA LYS A 38 -6.997 -5.331 -9.536 1.00 0.00 C ATOM 642 C LYS A 38 -7.048 -5.333 -8.003 1.00 0.00 C ATOM 643 O LYS A 38 -8.048 -4.916 -7.411 1.00 0.00 O ATOM 644 CB LYS A 38 -7.837 -6.456 -10.104 1.00 0.00 C ATOM 645 CG LYS A 38 -9.315 -6.284 -9.930 1.00 0.00 C ATOM 646 CD LYS A 38 -10.045 -7.408 -10.591 1.00 0.00 C ATOM 647 CE LYS A 38 -11.538 -7.146 -10.616 1.00 0.00 C ATOM 648 NZ LYS A 38 -11.875 -5.898 -11.348 1.00 0.00 N ATOM 0 H LYS A 38 -5.386 -6.427 -10.237 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.393 -4.366 -9.852 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.619 -6.552 -11.168 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.536 -7.391 -9.631 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.563 -6.253 -8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.631 -5.333 -10.359 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.678 -7.536 -11.609 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.844 -8.339 -10.060 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.046 -7.989 -11.085 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.911 -7.078 -9.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.865 -5.938 -11.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.746 -5.081 -10.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.250 -5.800 -12.174 1.00 0.00 H new ATOM 662 N GLY A 39 -5.969 -5.746 -7.360 1.00 0.00 N ATOM 663 CA GLY A 39 -6.007 -5.843 -5.917 1.00 0.00 C ATOM 664 C GLY A 39 -6.784 -7.058 -5.493 1.00 0.00 C ATOM 665 O GLY A 39 -7.836 -6.948 -4.854 1.00 0.00 O ATOM 0 H GLY A 39 -5.087 -6.010 -7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.992 -5.897 -5.523 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.464 -4.947 -5.498 1.00 0.00 H new ATOM 669 N GLY A 40 -6.317 -8.198 -5.900 1.00 0.00 N ATOM 670 CA GLY A 40 -7.035 -9.412 -5.669 1.00 0.00 C ATOM 671 C GLY A 40 -6.433 -10.244 -4.584 1.00 0.00 C ATOM 672 O GLY A 40 -5.218 -10.481 -4.580 1.00 0.00 O ATOM 0 H GLY A 40 -5.434 -8.313 -6.398 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.066 -9.175 -5.408 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.065 -9.992 -6.591 1.00 0.00 H new ATOM 676 N LYS A 41 -7.281 -10.690 -3.681 1.00 0.00 N ATOM 677 CA LYS A 41 -6.913 -11.530 -2.552 1.00 0.00 C ATOM 678 C LYS A 41 -5.868 -10.827 -1.671 1.00 0.00 C ATOM 679 O LYS A 41 -4.677 -11.149 -1.695 1.00 0.00 O ATOM 680 CB LYS A 41 -6.470 -12.947 -3.017 1.00 0.00 C ATOM 681 CG LYS A 41 -6.155 -13.926 -1.892 1.00 0.00 C ATOM 682 CD LYS A 41 -5.857 -15.338 -2.409 1.00 0.00 C ATOM 683 CE LYS A 41 -4.648 -15.405 -3.347 1.00 0.00 C ATOM 684 NZ LYS A 41 -3.407 -14.916 -2.711 1.00 0.00 N ATOM 0 H LYS A 41 -8.277 -10.473 -3.710 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.795 -11.684 -1.930 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.259 -13.372 -3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.587 -12.846 -3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.298 -13.561 -1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.998 -13.965 -1.202 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.684 -15.998 -1.559 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.734 -15.717 -2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.503 -16.435 -3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.852 -14.813 -4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.605 -15.061 -3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.502 -13.902 -2.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.239 -15.440 -1.828 1.00 0.00 H new ATOM 698 N ASN A 42 -6.338 -9.813 -0.973 1.00 0.00 N ATOM 699 CA ASN A 42 -5.525 -8.968 -0.094 1.00 0.00 C ATOM 700 C ASN A 42 -4.350 -8.337 -0.831 1.00 0.00 C ATOM 701 O ASN A 42 -3.190 -8.654 -0.547 1.00 0.00 O ATOM 702 CB ASN A 42 -5.024 -9.681 1.194 1.00 0.00 C ATOM 703 CG ASN A 42 -6.121 -10.135 2.140 1.00 0.00 C ATOM 704 OD1 ASN A 42 -6.621 -9.350 2.952 1.00 0.00 O ATOM 705 ND2 ASN A 42 -6.432 -11.407 2.123 1.00 0.00 N ATOM 0 H ASN A 42 -7.320 -9.539 -0.996 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.207 -8.182 0.229 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.432 -10.549 0.904 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.358 -9.005 1.731 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.106 -11.776 2.794 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.001 -12.028 1.439 1.00 0.00 H new ATOM 712 N GLU A 43 -4.644 -7.530 -1.834 1.00 0.00 N ATOM 713 CA GLU A 43 -3.632 -6.781 -2.556 1.00 0.00 C ATOM 714 C GLU A 43 -4.054 -5.343 -2.751 1.00 0.00 C ATOM 715 O GLU A 43 -5.128 -4.941 -2.293 1.00 0.00 O ATOM 716 CB GLU A 43 -3.282 -7.447 -3.881 1.00 0.00 C ATOM 717 CG GLU A 43 -2.367 -8.630 -3.696 1.00 0.00 C ATOM 718 CD GLU A 43 -2.015 -9.328 -4.949 1.00 0.00 C ATOM 719 OE1 GLU A 43 -1.754 -8.672 -5.965 1.00 0.00 O ATOM 720 OE2 GLU A 43 -1.953 -10.568 -4.929 1.00 0.00 O ATOM 0 H GLU A 43 -5.594 -7.375 -2.172 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.727 -6.779 -1.949 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.197 -7.771 -4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.805 -6.719 -4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.450 -8.293 -3.212 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.843 -9.340 -3.020 1.00 0.00 H new ATOM 727 N LEU A 44 -3.224 -4.568 -3.407 1.00 0.00 N ATOM 728 CA LEU A 44 -3.509 -3.175 -3.636 1.00 0.00 C ATOM 729 C LEU A 44 -4.062 -3.044 -5.015 1.00 0.00 C ATOM 730 O LEU A 44 -3.614 -3.732 -5.932 1.00 0.00 O ATOM 731 CB LEU A 44 -2.203 -2.367 -3.570 1.00 0.00 C ATOM 732 CG LEU A 44 -2.291 -0.913 -3.040 1.00 0.00 C ATOM 733 CD1 LEU A 44 -0.941 -0.339 -2.957 1.00 0.00 C ATOM 734 CD2 LEU A 44 -3.136 -0.005 -3.884 1.00 0.00 C ATOM 0 H LEU A 44 -2.336 -4.885 -3.795 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.211 -2.808 -2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.500 -2.913 -2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.775 -2.335 -4.572 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.767 -0.980 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.003 0.683 -2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.333 -0.937 -2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.485 -0.337 -3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.147 0.993 -3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.722 0.045 -4.891 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.154 -0.393 -3.929 1.00 0.00 H new ATOM 746 N SER A 45 -5.020 -2.211 -5.177 1.00 0.00 N ATOM 747 CA SER A 45 -5.517 -1.977 -6.478 1.00 0.00 C ATOM 748 C SER A 45 -4.819 -0.760 -7.068 1.00 0.00 C ATOM 749 O SER A 45 -4.942 0.359 -6.551 1.00 0.00 O ATOM 750 CB SER A 45 -7.042 -1.853 -6.480 1.00 0.00 C ATOM 751 OG SER A 45 -7.483 -0.881 -5.530 1.00 0.00 O ATOM 0 H SER A 45 -5.473 -1.683 -4.431 1.00 0.00 H new ATOM 0 HA SER A 45 -5.294 -2.833 -7.115 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.385 -1.574 -7.476 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.488 -2.820 -6.249 1.00 0.00 H new ATOM 0 HG SER A 45 -6.780 -0.212 -5.396 1.00 0.00 H new ATOM 757 N PHE A 46 -4.081 -0.990 -8.113 1.00 0.00 N ATOM 758 CA PHE A 46 -3.303 0.025 -8.764 1.00 0.00 C ATOM 759 C PHE A 46 -3.276 -0.236 -10.242 1.00 0.00 C ATOM 760 O PHE A 46 -3.793 -1.224 -10.704 1.00 0.00 O ATOM 761 CB PHE A 46 -1.873 0.098 -8.179 1.00 0.00 C ATOM 762 CG PHE A 46 -1.158 -1.222 -8.098 1.00 0.00 C ATOM 763 CD1 PHE A 46 -0.469 -1.723 -9.177 1.00 0.00 C ATOM 764 CD2 PHE A 46 -1.156 -1.939 -6.927 1.00 0.00 C ATOM 765 CE1 PHE A 46 0.212 -2.912 -9.091 1.00 0.00 C ATOM 766 CE2 PHE A 46 -0.488 -3.132 -6.834 1.00 0.00 C ATOM 767 CZ PHE A 46 0.201 -3.618 -7.916 1.00 0.00 C ATOM 0 H PHE A 46 -4.000 -1.909 -8.547 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.768 0.995 -8.586 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.280 0.780 -8.789 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.926 0.529 -7.179 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.463 -1.173 -10.106 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.688 -1.558 -6.068 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.754 -3.290 -9.945 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.504 -3.689 -5.909 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.734 -4.555 -7.842 1.00 0.00 H new ATOM 777 N LYS A 47 -2.669 0.614 -10.967 1.00 0.00 N ATOM 778 CA LYS A 47 -2.631 0.494 -12.380 1.00 0.00 C ATOM 779 C LYS A 47 -1.246 0.747 -12.803 1.00 0.00 C ATOM 780 O LYS A 47 -0.570 1.529 -12.161 1.00 0.00 O ATOM 781 CB LYS A 47 -3.556 1.519 -13.036 1.00 0.00 C ATOM 782 CG LYS A 47 -5.031 1.346 -12.724 1.00 0.00 C ATOM 783 CD LYS A 47 -5.899 2.480 -13.285 1.00 0.00 C ATOM 784 CE LYS A 47 -5.622 3.836 -12.614 1.00 0.00 C ATOM 785 NZ LYS A 47 -4.401 4.523 -13.110 1.00 0.00 N ATOM 0 H LYS A 47 -2.175 1.427 -10.599 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.964 -0.500 -12.679 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.248 2.516 -12.722 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.421 1.469 -14.116 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.374 0.396 -13.134 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.165 1.294 -11.643 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.723 2.569 -14.357 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.950 2.224 -13.154 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.481 4.488 -12.770 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.528 3.684 -11.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.679 4.530 -12.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.033 4.019 -13.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.636 5.501 -13.374 1.00 0.00 H new ATOM 799 N GLN A 48 -0.812 0.016 -13.792 1.00 0.00 N ATOM 800 CA GLN A 48 0.486 0.194 -14.453 1.00 0.00 C ATOM 801 C GLN A 48 0.851 1.700 -14.530 1.00 0.00 C ATOM 802 O GLN A 48 0.172 2.495 -15.191 1.00 0.00 O ATOM 803 CB GLN A 48 0.404 -0.458 -15.865 1.00 0.00 C ATOM 804 CG GLN A 48 1.726 -0.638 -16.628 1.00 0.00 C ATOM 805 CD GLN A 48 2.335 0.641 -17.169 1.00 0.00 C ATOM 806 OE1 GLN A 48 1.635 1.589 -17.514 1.00 0.00 O ATOM 807 NE2 GLN A 48 3.627 0.675 -17.242 1.00 0.00 N ATOM 0 H GLN A 48 -1.358 -0.750 -14.186 1.00 0.00 H new ATOM 0 HA GLN A 48 1.278 -0.292 -13.883 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.062 -1.438 -15.759 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.262 0.147 -16.480 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.448 -1.114 -15.965 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.557 -1.322 -17.460 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.176 -0.132 -16.946 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.096 1.509 -17.595 1.00 0.00 H new ATOM 816 N GLY A 49 1.871 2.080 -13.790 1.00 0.00 N ATOM 817 CA GLY A 49 2.311 3.457 -13.774 1.00 0.00 C ATOM 818 C GLY A 49 1.657 4.326 -12.689 1.00 0.00 C ATOM 819 O GLY A 49 1.646 5.547 -12.808 1.00 0.00 O ATOM 0 H GLY A 49 2.410 1.454 -13.192 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.392 3.477 -13.634 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.107 3.901 -14.748 1.00 0.00 H new ATOM 823 N GLU A 50 1.099 3.711 -11.647 1.00 0.00 N ATOM 824 CA GLU A 50 0.486 4.480 -10.533 1.00 0.00 C ATOM 825 C GLU A 50 1.499 5.139 -9.640 1.00 0.00 C ATOM 826 O GLU A 50 1.196 6.163 -9.028 1.00 0.00 O ATOM 827 CB GLU A 50 -0.432 3.622 -9.656 1.00 0.00 C ATOM 828 CG GLU A 50 -1.849 3.488 -10.152 1.00 0.00 C ATOM 829 CD GLU A 50 -2.579 4.794 -10.213 1.00 0.00 C ATOM 830 OE1 GLU A 50 -3.132 5.227 -9.186 1.00 0.00 O ATOM 831 OE2 GLU A 50 -2.645 5.391 -11.285 1.00 0.00 O ATOM 0 H GLU A 50 1.052 2.698 -11.539 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.101 5.249 -11.035 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.002 2.626 -9.569 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.453 4.049 -8.653 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.838 3.038 -11.145 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.393 2.805 -9.499 1.00 0.00 H new ATOM 838 N GLN A 51 2.686 4.559 -9.602 1.00 0.00 N ATOM 839 CA GLN A 51 3.771 4.945 -8.686 1.00 0.00 C ATOM 840 C GLN A 51 3.392 4.521 -7.266 1.00 0.00 C ATOM 841 O GLN A 51 2.543 5.117 -6.610 1.00 0.00 O ATOM 842 CB GLN A 51 4.095 6.453 -8.743 1.00 0.00 C ATOM 843 CG GLN A 51 5.257 6.888 -7.867 1.00 0.00 C ATOM 844 CD GLN A 51 6.572 6.332 -8.341 1.00 0.00 C ATOM 845 OE1 GLN A 51 6.960 5.201 -7.823 1.00 0.00 O flip ATOM 846 NE2 GLN A 51 7.250 6.946 -9.165 1.00 0.00 N flip ATOM 0 H GLN A 51 2.939 3.786 -10.218 1.00 0.00 H new ATOM 0 HA GLN A 51 4.680 4.432 -9.001 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.315 6.724 -9.775 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.207 7.013 -8.449 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.310 7.977 -7.853 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.077 6.564 -6.842 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.912 7.829 -9.548 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.150 6.572 -9.465 1.00 0.00 H new ATOM 855 N ILE A 52 3.999 3.480 -6.834 1.00 0.00 N ATOM 856 CA ILE A 52 3.717 2.864 -5.566 1.00 0.00 C ATOM 857 C ILE A 52 4.918 3.097 -4.654 1.00 0.00 C ATOM 858 O ILE A 52 5.958 3.539 -5.115 1.00 0.00 O ATOM 859 CB ILE A 52 3.486 1.334 -5.800 1.00 0.00 C ATOM 860 CG1 ILE A 52 2.490 1.164 -6.951 1.00 0.00 C ATOM 861 CG2 ILE A 52 2.973 0.623 -4.540 1.00 0.00 C ATOM 862 CD1 ILE A 52 2.065 -0.242 -7.197 1.00 0.00 C ATOM 0 H ILE A 52 4.733 3.007 -7.361 1.00 0.00 H new ATOM 0 HA ILE A 52 2.825 3.287 -5.103 1.00 0.00 H new ATOM 0 HB ILE A 52 4.442 0.873 -6.050 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.606 1.766 -6.742 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.937 1.560 -7.863 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.828 -0.436 -4.753 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.701 0.735 -3.737 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.025 1.064 -4.234 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.360 -0.269 -8.028 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.937 -0.848 -7.441 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.586 -0.639 -6.302 1.00 0.00 H new ATOM 874 N GLU A 53 4.765 2.872 -3.399 1.00 0.00 N ATOM 875 CA GLU A 53 5.834 2.998 -2.457 1.00 0.00 C ATOM 876 C GLU A 53 5.981 1.670 -1.759 1.00 0.00 C ATOM 877 O GLU A 53 4.978 1.009 -1.487 1.00 0.00 O ATOM 878 CB GLU A 53 5.467 4.023 -1.415 1.00 0.00 C ATOM 879 CG GLU A 53 4.870 5.301 -1.955 1.00 0.00 C ATOM 880 CD GLU A 53 4.418 6.212 -0.856 1.00 0.00 C ATOM 881 OE1 GLU A 53 3.523 5.832 -0.073 1.00 0.00 O ATOM 882 OE2 GLU A 53 4.944 7.338 -0.757 1.00 0.00 O ATOM 0 H GLU A 53 3.878 2.589 -2.983 1.00 0.00 H new ATOM 0 HA GLU A 53 6.751 3.295 -2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.757 3.574 -0.720 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.360 4.271 -0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.607 5.814 -2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.025 5.063 -2.600 1.00 0.00 H new ATOM 889 N ILE A 54 7.185 1.258 -1.498 1.00 0.00 N ATOM 890 CA ILE A 54 7.400 0.042 -0.763 1.00 0.00 C ATOM 891 C ILE A 54 7.676 0.406 0.691 1.00 0.00 C ATOM 892 O ILE A 54 8.629 1.134 1.002 1.00 0.00 O ATOM 893 CB ILE A 54 8.561 -0.865 -1.352 1.00 0.00 C ATOM 894 CG1 ILE A 54 8.671 -2.185 -0.583 1.00 0.00 C ATOM 895 CG2 ILE A 54 9.895 -0.164 -1.386 1.00 0.00 C ATOM 896 CD1 ILE A 54 7.488 -3.081 -0.755 1.00 0.00 C ATOM 0 H ILE A 54 8.036 1.744 -1.782 1.00 0.00 H new ATOM 0 HA ILE A 54 6.498 -0.565 -0.847 1.00 0.00 H new ATOM 0 HB ILE A 54 8.288 -1.077 -2.386 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.566 -2.713 -0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.800 -1.968 0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.648 -0.835 -1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.822 0.727 -2.010 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.181 0.124 -0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.638 -3.996 -0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.592 -2.573 -0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.370 -3.329 -1.810 1.00 0.00 H new ATOM 908 N ILE A 55 6.815 -0.017 1.560 1.00 0.00 N ATOM 909 CA ILE A 55 6.993 0.257 2.966 1.00 0.00 C ATOM 910 C ILE A 55 7.492 -0.962 3.706 1.00 0.00 C ATOM 911 O ILE A 55 8.380 -0.866 4.567 1.00 0.00 O ATOM 912 CB ILE A 55 5.745 0.868 3.684 1.00 0.00 C ATOM 913 CG1 ILE A 55 4.436 0.128 3.342 1.00 0.00 C ATOM 914 CG2 ILE A 55 5.623 2.355 3.381 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.806 0.528 2.027 1.00 0.00 C ATOM 0 H ILE A 55 5.979 -0.554 1.330 1.00 0.00 H new ATOM 0 HA ILE A 55 7.754 1.037 2.998 1.00 0.00 H new ATOM 0 HB ILE A 55 5.904 0.739 4.755 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.635 -0.943 3.322 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.716 0.303 4.142 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.748 2.760 3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.517 2.872 3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.516 2.500 2.306 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.891 -0.045 1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.569 1.592 2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.503 0.326 1.213 1.00 0.00 H new ATOM 927 N ARG A 56 6.968 -2.122 3.391 1.00 0.00 N ATOM 928 CA ARG A 56 7.454 -3.274 4.067 1.00 0.00 C ATOM 929 C ARG A 56 7.735 -4.397 3.109 1.00 0.00 C ATOM 930 O ARG A 56 6.972 -4.652 2.183 1.00 0.00 O ATOM 931 CB ARG A 56 6.524 -3.746 5.175 1.00 0.00 C ATOM 932 CG ARG A 56 7.232 -4.643 6.191 1.00 0.00 C ATOM 933 CD ARG A 56 8.026 -3.852 7.237 1.00 0.00 C ATOM 934 NE ARG A 56 8.958 -2.867 6.656 1.00 0.00 N ATOM 935 CZ ARG A 56 10.230 -2.695 7.025 1.00 0.00 C ATOM 936 NH1 ARG A 56 10.787 -3.487 7.944 1.00 0.00 N ATOM 937 NH2 ARG A 56 10.933 -1.719 6.477 1.00 0.00 N ATOM 0 H ARG A 56 6.236 -2.280 2.699 1.00 0.00 H new ATOM 0 HA ARG A 56 8.390 -2.972 4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.107 -2.880 5.688 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.687 -4.290 4.736 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.492 -5.264 6.697 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.907 -5.317 5.664 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.328 -3.334 7.894 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.589 -4.550 7.857 1.00 0.00 H new ATOM 0 HE ARG A 56 8.602 -2.268 5.911 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.240 -4.234 8.373 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.759 -3.346 8.217 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.503 -1.109 5.782 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.906 -1.576 6.749 1.00 0.00 H new ATOM 951 N ILE A 57 8.846 -5.022 3.330 1.00 0.00 N ATOM 952 CA ILE A 57 9.299 -6.163 2.574 1.00 0.00 C ATOM 953 C ILE A 57 9.586 -7.318 3.515 1.00 0.00 C ATOM 954 O ILE A 57 9.301 -8.473 3.209 1.00 0.00 O ATOM 955 CB ILE A 57 10.587 -5.876 1.689 1.00 0.00 C ATOM 956 CG1 ILE A 57 11.668 -5.028 2.417 1.00 0.00 C ATOM 957 CG2 ILE A 57 10.232 -5.252 0.357 1.00 0.00 C ATOM 958 CD1 ILE A 57 11.320 -3.546 2.553 1.00 0.00 C ATOM 0 H ILE A 57 9.493 -4.747 4.069 1.00 0.00 H new ATOM 0 HA ILE A 57 8.493 -6.411 1.883 1.00 0.00 H new ATOM 0 HB ILE A 57 11.028 -6.856 1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 57 11.830 -5.444 3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 57 12.610 -5.120 1.876 1.00 0.00 H new ATOM 0 HG21 ILE A 57 11.142 -5.073 -0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.581 -5.927 -0.199 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.717 -4.306 0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.127 -3.029 3.072 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.188 -3.111 1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 57 10.396 -3.440 3.122 1.00 0.00 H new ATOM 970 N THR A 58 10.132 -6.999 4.668 1.00 0.00 N ATOM 971 CA THR A 58 10.513 -7.977 5.640 1.00 0.00 C ATOM 972 C THR A 58 9.383 -8.325 6.597 1.00 0.00 C ATOM 973 O THR A 58 8.444 -7.530 6.788 1.00 0.00 O ATOM 974 CB THR A 58 11.723 -7.465 6.399 1.00 0.00 C ATOM 975 OG1 THR A 58 11.509 -6.084 6.730 1.00 0.00 O ATOM 976 CG2 THR A 58 12.960 -7.595 5.547 1.00 0.00 C ATOM 0 H THR A 58 10.323 -6.038 4.952 1.00 0.00 H new ATOM 0 HA THR A 58 10.760 -8.900 5.116 1.00 0.00 H new ATOM 0 HB THR A 58 11.860 -8.051 7.308 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.284 -5.742 7.223 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.823 -7.225 6.100 1.00 0.00 H new ATOM 0 HG22 THR A 58 13.116 -8.643 5.289 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.836 -7.011 4.635 1.00 0.00 H new ATOM 984 N ASP A 59 9.509 -9.505 7.199 1.00 0.00 N ATOM 985 CA ASP A 59 8.517 -10.101 8.097 1.00 0.00 C ATOM 986 C ASP A 59 7.192 -10.166 7.395 1.00 0.00 C ATOM 987 O ASP A 59 6.263 -9.417 7.680 1.00 0.00 O ATOM 988 CB ASP A 59 8.410 -9.390 9.465 1.00 0.00 C ATOM 989 CG ASP A 59 7.607 -10.191 10.492 1.00 0.00 C ATOM 990 OD1 ASP A 59 8.196 -11.071 11.158 1.00 0.00 O ATOM 991 OD2 ASP A 59 6.391 -9.964 10.681 1.00 0.00 O ATOM 0 H ASP A 59 10.332 -10.094 7.072 1.00 0.00 H new ATOM 0 HA ASP A 59 8.854 -11.110 8.337 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.412 -9.211 9.855 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.943 -8.415 9.326 1.00 0.00 H new ATOM 996 N ASN A 60 7.173 -10.978 6.384 1.00 0.00 N ATOM 997 CA ASN A 60 6.004 -11.168 5.571 1.00 0.00 C ATOM 998 C ASN A 60 5.453 -12.569 5.766 1.00 0.00 C ATOM 999 O ASN A 60 6.215 -13.531 5.874 1.00 0.00 O ATOM 1000 CB ASN A 60 6.292 -10.845 4.072 1.00 0.00 C ATOM 1001 CG ASN A 60 7.415 -11.656 3.402 1.00 0.00 C ATOM 1002 OD1 ASN A 60 7.663 -12.820 3.707 1.00 0.00 O ATOM 1003 ND2 ASN A 60 8.094 -11.042 2.478 1.00 0.00 N ATOM 0 H ASN A 60 7.976 -11.536 6.094 1.00 0.00 H new ATOM 0 HA ASN A 60 5.237 -10.463 5.893 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.373 -11.001 3.506 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.540 -9.787 3.992 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.848 -11.527 1.992 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.872 -10.075 2.240 1.00 0.00 H new ATOM 1010 N PRO A 61 4.140 -12.712 5.889 1.00 0.00 N ATOM 1011 CA PRO A 61 3.512 -14.009 6.102 1.00 0.00 C ATOM 1012 C PRO A 61 3.437 -14.853 4.822 1.00 0.00 C ATOM 1013 O PRO A 61 3.552 -16.082 4.866 1.00 0.00 O ATOM 1014 CB PRO A 61 2.087 -13.659 6.583 1.00 0.00 C ATOM 1015 CG PRO A 61 2.068 -12.174 6.765 1.00 0.00 C ATOM 1016 CD PRO A 61 3.153 -11.623 5.897 1.00 0.00 C ATOM 0 HA PRO A 61 4.084 -14.609 6.810 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.341 -13.973 5.853 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.854 -14.170 7.517 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.099 -11.762 6.483 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.235 -11.910 7.809 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.793 -11.395 4.894 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.569 -10.701 6.304 1.00 0.00 H new ATOM 1024 N GLU A 62 3.292 -14.197 3.695 1.00 0.00 N ATOM 1025 CA GLU A 62 3.060 -14.889 2.440 1.00 0.00 C ATOM 1026 C GLU A 62 4.268 -14.802 1.518 1.00 0.00 C ATOM 1027 O GLU A 62 4.543 -15.720 0.753 1.00 0.00 O ATOM 1028 CB GLU A 62 1.853 -14.263 1.773 1.00 0.00 C ATOM 1029 CG GLU A 62 1.342 -14.963 0.543 1.00 0.00 C ATOM 1030 CD GLU A 62 0.125 -14.278 0.015 1.00 0.00 C ATOM 1031 OE1 GLU A 62 -0.886 -14.211 0.742 1.00 0.00 O ATOM 1032 OE2 GLU A 62 0.153 -13.784 -1.124 1.00 0.00 O ATOM 0 H GLU A 62 3.330 -13.181 3.617 1.00 0.00 H new ATOM 0 HA GLU A 62 2.885 -15.946 2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.044 -14.215 2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.102 -13.236 1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.118 -14.978 -0.222 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.108 -16.001 0.780 1.00 0.00 H new ATOM 1039 N GLY A 63 4.952 -13.691 1.563 1.00 0.00 N ATOM 1040 CA GLY A 63 6.105 -13.495 0.705 1.00 0.00 C ATOM 1041 C GLY A 63 5.878 -12.338 -0.229 1.00 0.00 C ATOM 1042 O GLY A 63 6.766 -11.938 -0.984 1.00 0.00 O ATOM 0 H GLY A 63 4.738 -12.907 2.179 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.991 -13.310 1.313 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.296 -14.401 0.130 1.00 0.00 H new ATOM 1046 N LYS A 64 4.667 -11.835 -0.198 1.00 0.00 N ATOM 1047 CA LYS A 64 4.260 -10.693 -0.949 1.00 0.00 C ATOM 1048 C LYS A 64 4.740 -9.444 -0.179 1.00 0.00 C ATOM 1049 O LYS A 64 5.070 -9.551 1.012 1.00 0.00 O ATOM 1050 CB LYS A 64 2.726 -10.729 -1.104 1.00 0.00 C ATOM 1051 CG LYS A 64 1.945 -10.210 0.090 1.00 0.00 C ATOM 1052 CD LYS A 64 0.483 -10.651 0.087 1.00 0.00 C ATOM 1053 CE LYS A 64 -0.181 -10.518 -1.273 1.00 0.00 C ATOM 1054 NZ LYS A 64 -1.629 -10.786 -1.190 1.00 0.00 N ATOM 0 H LYS A 64 3.920 -12.230 0.373 1.00 0.00 H new ATOM 0 HA LYS A 64 4.691 -10.677 -1.950 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.451 -10.143 -1.981 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.420 -11.757 -1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.421 -10.557 1.007 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.990 -9.121 0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.423 -11.689 0.413 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.070 -10.056 0.814 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.017 -9.514 -1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.280 -11.213 -1.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.964 -11.169 -2.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.811 -11.477 -0.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.134 -9.902 -0.980 1.00 0.00 H new ATOM 1068 N TRP A 65 4.796 -8.310 -0.835 1.00 0.00 N ATOM 1069 CA TRP A 65 5.319 -7.079 -0.222 1.00 0.00 C ATOM 1070 C TRP A 65 4.197 -6.203 0.256 1.00 0.00 C ATOM 1071 O TRP A 65 3.046 -6.538 0.089 1.00 0.00 O ATOM 1072 CB TRP A 65 6.162 -6.285 -1.206 1.00 0.00 C ATOM 1073 CG TRP A 65 7.465 -6.899 -1.564 1.00 0.00 C ATOM 1074 CD1 TRP A 65 8.215 -7.754 -0.812 1.00 0.00 C ATOM 1075 CD2 TRP A 65 8.198 -6.669 -2.766 1.00 0.00 C ATOM 1076 NE1 TRP A 65 9.362 -8.077 -1.485 1.00 0.00 N ATOM 1077 CE2 TRP A 65 9.377 -7.423 -2.684 1.00 0.00 C ATOM 1078 CE3 TRP A 65 7.969 -5.902 -3.905 1.00 0.00 C ATOM 1079 CZ2 TRP A 65 10.323 -7.436 -3.696 1.00 0.00 C ATOM 1080 CZ3 TRP A 65 8.909 -5.915 -4.908 1.00 0.00 C ATOM 1081 CH2 TRP A 65 10.074 -6.676 -4.799 1.00 0.00 C ATOM 0 H TRP A 65 4.487 -8.198 -1.801 1.00 0.00 H new ATOM 0 HA TRP A 65 5.939 -7.383 0.621 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.585 -6.139 -2.119 1.00 0.00 H new ATOM 0 HB3 TRP A 65 6.348 -5.297 -0.785 1.00 0.00 H new ATOM 0 HD1 TRP A 65 7.945 -8.121 0.167 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.090 -8.706 -1.145 1.00 0.00 H new ATOM 0 HE3 TRP A 65 7.071 -5.309 -3.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.224 -8.026 -3.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 8.743 -5.325 -5.797 1.00 0.00 H new ATOM 0 HH2 TRP A 65 10.792 -6.662 -5.605 1.00 0.00 H new ATOM 1092 N LEU A 66 4.527 -5.105 0.883 1.00 0.00 N ATOM 1093 CA LEU A 66 3.530 -4.155 1.282 1.00 0.00 C ATOM 1094 C LEU A 66 3.776 -2.873 0.545 1.00 0.00 C ATOM 1095 O LEU A 66 4.794 -2.191 0.787 1.00 0.00 O ATOM 1096 CB LEU A 66 3.541 -3.896 2.795 1.00 0.00 C ATOM 1097 CG LEU A 66 2.486 -2.899 3.294 1.00 0.00 C ATOM 1098 CD1 LEU A 66 1.091 -3.396 3.008 1.00 0.00 C ATOM 1099 CD2 LEU A 66 2.653 -2.626 4.766 1.00 0.00 C ATOM 0 H LEU A 66 5.483 -4.848 1.128 1.00 0.00 H new ATOM 0 HA LEU A 66 2.549 -4.564 1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.394 -4.845 3.311 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.528 -3.529 3.078 1.00 0.00 H new ATOM 0 HG LEU A 66 2.634 -1.965 2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.364 -2.670 3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.965 -3.528 1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.934 -4.350 3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.893 -1.917 5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.545 -3.557 5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.643 -2.207 4.948 1.00 0.00 H new ATOM 1111 N GLY A 67 2.889 -2.555 -0.355 1.00 0.00 N ATOM 1112 CA GLY A 67 3.023 -1.366 -1.119 1.00 0.00 C ATOM 1113 C GLY A 67 1.913 -0.409 -0.812 1.00 0.00 C ATOM 1114 O GLY A 67 0.871 -0.812 -0.290 1.00 0.00 O ATOM 0 H GLY A 67 2.063 -3.113 -0.572 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.983 -0.897 -0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.017 -1.608 -2.182 1.00 0.00 H new ATOM 1118 N ARG A 68 2.138 0.837 -1.099 1.00 0.00 N ATOM 1119 CA ARG A 68 1.164 1.878 -0.876 1.00 0.00 C ATOM 1120 C ARG A 68 1.189 2.851 -2.014 1.00 0.00 C ATOM 1121 O ARG A 68 2.212 3.068 -2.623 1.00 0.00 O ATOM 1122 CB ARG A 68 1.438 2.602 0.449 1.00 0.00 C ATOM 1123 CG ARG A 68 0.563 3.816 0.739 1.00 0.00 C ATOM 1124 CD ARG A 68 1.094 4.593 1.915 1.00 0.00 C ATOM 1125 NE ARG A 68 0.271 5.772 2.218 1.00 0.00 N ATOM 1126 CZ ARG A 68 0.460 7.004 1.698 1.00 0.00 C ATOM 1127 NH1 ARG A 68 1.448 7.229 0.833 1.00 0.00 N ATOM 1128 NH2 ARG A 68 -0.359 8.005 2.051 1.00 0.00 N ATOM 0 H ARG A 68 3.014 1.171 -1.501 1.00 0.00 H new ATOM 0 HA ARG A 68 0.175 1.423 -0.818 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.315 1.887 1.263 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.481 2.920 0.458 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.525 4.460 -0.140 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.458 3.493 0.943 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.132 3.944 2.790 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.116 4.909 1.708 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.503 5.651 2.871 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.069 6.468 0.559 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.584 8.163 0.445 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.120 7.834 2.709 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.222 8.938 1.662 1.00 0.00 H new ATOM 1142 N THR A 69 0.069 3.394 -2.298 1.00 0.00 N ATOM 1143 CA THR A 69 -0.066 4.405 -3.316 1.00 0.00 C ATOM 1144 C THR A 69 -0.140 5.771 -2.639 1.00 0.00 C ATOM 1145 O THR A 69 -0.363 5.830 -1.430 1.00 0.00 O ATOM 1146 CB THR A 69 -1.316 4.141 -4.163 1.00 0.00 C ATOM 1147 OG1 THR A 69 -2.399 3.770 -3.292 1.00 0.00 O ATOM 1148 CG2 THR A 69 -1.061 3.032 -5.173 1.00 0.00 C ATOM 0 H THR A 69 -0.806 3.156 -1.831 1.00 0.00 H new ATOM 0 HA THR A 69 0.795 4.381 -3.984 1.00 0.00 H new ATOM 0 HB THR A 69 -1.572 5.047 -4.713 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.154 3.448 -3.828 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.962 2.862 -5.762 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.244 3.323 -5.834 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.794 2.115 -4.647 1.00 0.00 H new ATOM 1156 N ALA A 70 0.027 6.848 -3.391 1.00 0.00 N ATOM 1157 CA ALA A 70 0.044 8.217 -2.833 1.00 0.00 C ATOM 1158 C ALA A 70 -1.241 8.546 -2.061 1.00 0.00 C ATOM 1159 O ALA A 70 -1.225 9.312 -1.096 1.00 0.00 O ATOM 1160 CB ALA A 70 0.278 9.238 -3.935 1.00 0.00 C ATOM 0 H ALA A 70 0.155 6.812 -4.402 1.00 0.00 H new ATOM 0 HA ALA A 70 0.869 8.265 -2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.287 10.240 -3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.236 9.040 -4.417 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.521 9.167 -4.673 1.00 0.00 H new ATOM 1166 N ARG A 71 -2.339 7.956 -2.491 1.00 0.00 N ATOM 1167 CA ARG A 71 -3.646 8.115 -1.844 1.00 0.00 C ATOM 1168 C ARG A 71 -3.705 7.388 -0.499 1.00 0.00 C ATOM 1169 O ARG A 71 -4.595 7.639 0.314 1.00 0.00 O ATOM 1170 CB ARG A 71 -4.750 7.600 -2.768 1.00 0.00 C ATOM 1171 CG ARG A 71 -4.544 6.166 -3.231 1.00 0.00 C ATOM 1172 CD ARG A 71 -5.592 5.754 -4.235 1.00 0.00 C ATOM 1173 NE ARG A 71 -5.281 4.466 -4.875 1.00 0.00 N ATOM 1174 CZ ARG A 71 -4.753 4.332 -6.115 1.00 0.00 C ATOM 1175 NH1 ARG A 71 -4.419 5.406 -6.831 1.00 0.00 N ATOM 1176 NH2 ARG A 71 -4.579 3.125 -6.635 1.00 0.00 N ATOM 0 H ARG A 71 -2.359 7.344 -3.307 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.796 9.177 -1.652 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.707 7.671 -2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.812 8.249 -3.642 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.554 6.064 -3.675 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.579 5.496 -2.372 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.560 5.685 -3.738 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.681 6.525 -5.001 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.477 3.615 -4.348 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.560 6.340 -6.446 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.022 5.294 -7.764 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.843 2.297 -6.101 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.181 3.025 -7.569 1.00 0.00 H new ATOM 1190 N GLY A 72 -2.755 6.514 -0.270 1.00 0.00 N ATOM 1191 CA GLY A 72 -2.719 5.752 0.937 1.00 0.00 C ATOM 1192 C GLY A 72 -3.624 4.566 0.882 1.00 0.00 C ATOM 1193 O GLY A 72 -4.772 4.631 1.300 1.00 0.00 O ATOM 0 H GLY A 72 -1.992 6.317 -0.917 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.698 5.419 1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.006 6.388 1.775 1.00 0.00 H new ATOM 1197 N SER A 73 -3.095 3.497 0.399 1.00 0.00 N ATOM 1198 CA SER A 73 -3.746 2.278 0.219 1.00 0.00 C ATOM 1199 C SER A 73 -2.619 1.334 0.336 1.00 0.00 C ATOM 1200 O SER A 73 -1.648 1.458 -0.382 1.00 0.00 O ATOM 1201 CB SER A 73 -4.335 2.145 -1.176 1.00 0.00 C ATOM 1202 OG SER A 73 -5.194 3.233 -1.534 1.00 0.00 O ATOM 0 H SER A 73 -2.120 3.466 0.101 1.00 0.00 H new ATOM 0 HA SER A 73 -4.573 2.134 0.914 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.524 2.078 -1.901 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.896 1.212 -1.239 1.00 0.00 H new ATOM 0 HG SER A 73 -5.664 3.019 -2.367 1.00 0.00 H new ATOM 1208 N TYR A 74 -2.706 0.502 1.223 1.00 0.00 N ATOM 1209 CA TYR A 74 -1.677 -0.424 1.519 1.00 0.00 C ATOM 1210 C TYR A 74 -2.128 -1.755 1.088 1.00 0.00 C ATOM 1211 O TYR A 74 -2.826 -2.477 1.822 1.00 0.00 O ATOM 1212 CB TYR A 74 -1.438 -0.479 2.981 1.00 0.00 C ATOM 1213 CG TYR A 74 -0.680 0.649 3.643 1.00 0.00 C ATOM 1214 CD1 TYR A 74 -1.320 1.805 4.053 1.00 0.00 C ATOM 1215 CD2 TYR A 74 0.673 0.520 3.918 1.00 0.00 C ATOM 1216 CE1 TYR A 74 -0.630 2.805 4.706 1.00 0.00 C ATOM 1217 CE2 TYR A 74 1.368 1.512 4.583 1.00 0.00 C ATOM 1218 CZ TYR A 74 0.713 2.653 4.973 1.00 0.00 C ATOM 1219 OH TYR A 74 1.389 3.644 5.656 1.00 0.00 O ATOM 0 H TYR A 74 -3.527 0.408 1.821 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.761 -0.121 1.011 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.409 -0.555 3.470 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.902 -1.404 3.192 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.375 1.926 3.859 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.194 -0.373 3.606 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.142 3.707 5.008 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.420 1.390 4.794 1.00 0.00 H new ATOM 0 HH TYR A 74 2.328 3.384 5.765 1.00 0.00 H new ATOM 1229 N GLY A 75 -1.829 -2.066 -0.076 1.00 0.00 N ATOM 1230 CA GLY A 75 -2.163 -3.295 -0.538 1.00 0.00 C ATOM 1231 C GLY A 75 -0.963 -4.099 -0.631 1.00 0.00 C ATOM 1232 O GLY A 75 -0.071 -3.801 -1.423 1.00 0.00 O ATOM 0 H GLY A 75 -1.340 -1.464 -0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.883 -3.767 0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.640 -3.214 -1.515 1.00 0.00 H new ATOM 1236 N TYR A 76 -0.863 -4.965 0.296 1.00 0.00 N ATOM 1237 CA TYR A 76 0.132 -6.029 0.312 1.00 0.00 C ATOM 1238 C TYR A 76 0.168 -6.680 -1.088 1.00 0.00 C ATOM 1239 O TYR A 76 -0.667 -7.483 -1.426 1.00 0.00 O ATOM 1240 CB TYR A 76 -0.218 -7.085 1.395 1.00 0.00 C ATOM 1241 CG TYR A 76 -1.364 -6.665 2.305 1.00 0.00 C ATOM 1242 CD1 TYR A 76 -2.674 -6.863 1.906 1.00 0.00 C ATOM 1243 CD2 TYR A 76 -1.145 -6.047 3.528 1.00 0.00 C ATOM 1244 CE1 TYR A 76 -3.733 -6.466 2.673 1.00 0.00 C ATOM 1245 CE2 TYR A 76 -2.207 -5.652 4.310 1.00 0.00 C ATOM 1246 CZ TYR A 76 -3.505 -5.861 3.868 1.00 0.00 C ATOM 1247 OH TYR A 76 -4.569 -5.464 4.639 1.00 0.00 O ATOM 0 H TYR A 76 -1.481 -4.978 1.108 1.00 0.00 H new ATOM 0 HA TYR A 76 1.112 -5.618 0.555 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.479 -8.023 0.905 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.666 -7.277 2.003 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.865 -7.346 0.959 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.135 -5.875 3.869 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.744 -6.632 2.332 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.030 -5.181 5.265 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.929 -6.237 5.122 1.00 0.00 H new ATOM 1257 N ILE A 77 1.103 -6.239 -1.873 1.00 0.00 N ATOM 1258 CA ILE A 77 1.264 -6.579 -3.251 1.00 0.00 C ATOM 1259 C ILE A 77 1.865 -7.878 -3.481 1.00 0.00 C ATOM 1260 O ILE A 77 2.756 -8.303 -2.759 1.00 0.00 O ATOM 1261 CB ILE A 77 2.211 -5.601 -3.936 1.00 0.00 C ATOM 1262 CG1 ILE A 77 3.328 -5.144 -2.979 1.00 0.00 C ATOM 1263 CG2 ILE A 77 1.472 -4.444 -4.513 1.00 0.00 C ATOM 1264 CD1 ILE A 77 4.284 -4.138 -3.555 1.00 0.00 C ATOM 0 H ILE A 77 1.819 -5.591 -1.545 1.00 0.00 H new ATOM 0 HA ILE A 77 0.247 -6.561 -3.644 1.00 0.00 H new ATOM 0 HB ILE A 77 2.687 -6.125 -4.765 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.870 -4.718 -2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.894 -6.019 -2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.177 -3.766 -4.994 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.753 -4.802 -5.249 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.945 -3.916 -3.718 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.033 -3.878 -2.807 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.777 -4.563 -4.429 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.737 -3.242 -3.847 1.00 0.00 H new ATOM 1276 N LYS A 78 1.449 -8.482 -4.538 1.00 0.00 N ATOM 1277 CA LYS A 78 2.144 -9.568 -5.019 1.00 0.00 C ATOM 1278 C LYS A 78 3.361 -8.885 -5.706 1.00 0.00 C ATOM 1279 O LYS A 78 3.223 -8.038 -6.582 1.00 0.00 O ATOM 1280 CB LYS A 78 1.301 -10.421 -6.028 1.00 0.00 C ATOM 1281 CG LYS A 78 0.991 -9.679 -7.311 1.00 0.00 C ATOM 1282 CD LYS A 78 0.382 -10.522 -8.452 1.00 0.00 C ATOM 1283 CE LYS A 78 -1.118 -10.814 -8.327 1.00 0.00 C ATOM 1284 NZ LYS A 78 -1.468 -11.701 -7.213 1.00 0.00 N ATOM 0 H LYS A 78 0.621 -8.221 -5.073 1.00 0.00 H new ATOM 0 HA LYS A 78 2.418 -10.286 -4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.844 -11.336 -6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.367 -10.719 -5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.303 -8.866 -7.080 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.912 -9.223 -7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.557 -10.005 -9.396 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.916 -11.471 -8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.651 -9.871 -8.207 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.468 -11.262 -9.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.121 -12.438 -7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.606 -12.147 -6.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.926 -11.149 -6.460 1.00 0.00 H new ATOM 1298 N THR A 79 4.450 -9.133 -5.154 1.00 0.00 N ATOM 1299 CA THR A 79 5.788 -8.636 -5.530 1.00 0.00 C ATOM 1300 C THR A 79 5.995 -8.513 -7.052 1.00 0.00 C ATOM 1301 O THR A 79 6.520 -7.515 -7.543 1.00 0.00 O ATOM 1302 CB THR A 79 6.855 -9.600 -4.956 1.00 0.00 C ATOM 1303 OG1 THR A 79 6.665 -10.915 -5.497 1.00 0.00 O ATOM 1304 CG2 THR A 79 6.717 -9.709 -3.461 1.00 0.00 C ATOM 0 H THR A 79 4.495 -9.745 -4.340 1.00 0.00 H new ATOM 0 HA THR A 79 5.883 -7.632 -5.116 1.00 0.00 H new ATOM 0 HB THR A 79 7.837 -9.206 -5.220 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.344 -11.520 -5.132 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.475 -10.391 -3.074 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.850 -8.725 -3.011 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.726 -10.090 -3.214 1.00 0.00 H new ATOM 1312 N THR A 80 5.523 -9.500 -7.768 1.00 0.00 N ATOM 1313 CA THR A 80 5.615 -9.585 -9.204 1.00 0.00 C ATOM 1314 C THR A 80 4.835 -8.439 -9.914 1.00 0.00 C ATOM 1315 O THR A 80 5.147 -8.089 -11.049 1.00 0.00 O ATOM 1316 CB THR A 80 5.091 -10.979 -9.673 1.00 0.00 C ATOM 1317 OG1 THR A 80 5.180 -11.135 -11.098 1.00 0.00 O ATOM 1318 CG2 THR A 80 3.657 -11.185 -9.227 1.00 0.00 C ATOM 0 H THR A 80 5.045 -10.299 -7.351 1.00 0.00 H new ATOM 0 HA THR A 80 6.662 -9.471 -9.483 1.00 0.00 H new ATOM 0 HB THR A 80 5.729 -11.733 -9.211 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.844 -12.020 -11.352 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.308 -12.162 -9.563 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.603 -11.135 -8.139 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.027 -10.407 -9.658 1.00 0.00 H new ATOM 1326 N ALA A 81 3.886 -7.815 -9.224 1.00 0.00 N ATOM 1327 CA ALA A 81 3.053 -6.806 -9.837 1.00 0.00 C ATOM 1328 C ALA A 81 3.739 -5.460 -9.846 1.00 0.00 C ATOM 1329 O ALA A 81 3.287 -4.520 -10.518 1.00 0.00 O ATOM 1330 CB ALA A 81 1.733 -6.721 -9.113 1.00 0.00 C ATOM 0 H ALA A 81 3.680 -7.995 -8.241 1.00 0.00 H new ATOM 0 HA ALA A 81 2.874 -7.093 -10.873 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.110 -5.958 -9.580 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.227 -7.685 -9.165 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.907 -6.458 -8.070 1.00 0.00 H new ATOM 1336 N VAL A 82 4.814 -5.347 -9.103 1.00 0.00 N ATOM 1337 CA VAL A 82 5.544 -4.106 -9.045 1.00 0.00 C ATOM 1338 C VAL A 82 6.996 -4.300 -9.345 1.00 0.00 C ATOM 1339 O VAL A 82 7.494 -5.431 -9.412 1.00 0.00 O ATOM 1340 CB VAL A 82 5.420 -3.385 -7.676 1.00 0.00 C ATOM 1341 CG1 VAL A 82 4.003 -2.948 -7.412 1.00 0.00 C ATOM 1342 CG2 VAL A 82 5.915 -4.275 -6.551 1.00 0.00 C ATOM 0 H VAL A 82 5.201 -6.098 -8.532 1.00 0.00 H new ATOM 0 HA VAL A 82 5.086 -3.478 -9.809 1.00 0.00 H new ATOM 0 HB VAL A 82 6.046 -2.494 -7.717 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.951 -2.447 -6.446 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.682 -2.261 -8.195 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.349 -3.820 -7.404 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.818 -3.749 -5.601 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.321 -5.189 -6.522 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.962 -4.528 -6.721 1.00 0.00 H new ATOM 1352 N GLU A 83 7.642 -3.196 -9.571 1.00 0.00 N ATOM 1353 CA GLU A 83 9.065 -3.120 -9.734 1.00 0.00 C ATOM 1354 C GLU A 83 9.542 -1.976 -8.884 1.00 0.00 C ATOM 1355 O GLU A 83 9.244 -0.811 -9.193 1.00 0.00 O ATOM 1356 CB GLU A 83 9.445 -2.835 -11.176 1.00 0.00 C ATOM 1357 CG GLU A 83 9.005 -3.873 -12.173 1.00 0.00 C ATOM 1358 CD GLU A 83 9.525 -3.574 -13.544 1.00 0.00 C ATOM 1359 OE1 GLU A 83 9.307 -2.458 -14.044 1.00 0.00 O ATOM 1360 OE2 GLU A 83 10.216 -4.445 -14.138 1.00 0.00 O ATOM 0 H GLU A 83 7.178 -2.291 -9.650 1.00 0.00 H new ATOM 0 HA GLU A 83 9.515 -4.070 -9.447 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.018 -1.874 -11.464 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.529 -2.733 -11.236 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.356 -4.855 -11.856 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.916 -3.917 -12.198 1.00 0.00 H new ATOM 1367 N ILE A 84 10.203 -2.266 -7.795 1.00 0.00 N ATOM 1368 CA ILE A 84 10.686 -1.205 -6.949 1.00 0.00 C ATOM 1369 C ILE A 84 11.896 -0.552 -7.565 1.00 0.00 C ATOM 1370 O ILE A 84 12.603 -1.160 -8.379 1.00 0.00 O ATOM 1371 CB ILE A 84 11.029 -1.613 -5.494 1.00 0.00 C ATOM 1372 CG1 ILE A 84 12.271 -2.477 -5.429 1.00 0.00 C ATOM 1373 CG2 ILE A 84 9.854 -2.328 -4.839 1.00 0.00 C ATOM 1374 CD1 ILE A 84 12.941 -2.391 -4.093 1.00 0.00 C ATOM 0 H ILE A 84 10.417 -3.211 -7.476 1.00 0.00 H new ATOM 0 HA ILE A 84 9.846 -0.514 -6.879 1.00 0.00 H new ATOM 0 HB ILE A 84 11.233 -0.695 -4.943 1.00 0.00 H new ATOM 0 HG12 ILE A 84 12.004 -3.513 -5.635 1.00 0.00 H new ATOM 0 HG13 ILE A 84 12.970 -2.168 -6.206 1.00 0.00 H new ATOM 0 HG21 ILE A 84 10.119 -2.604 -3.819 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.989 -1.666 -4.822 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.612 -3.226 -5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 84 13.827 -3.026 -4.089 1.00 0.00 H new ATOM 0 HD12 ILE A 84 13.233 -1.359 -3.898 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.252 -2.726 -3.318 1.00 0.00 H new ATOM 1386 N ASP A 85 12.132 0.662 -7.196 1.00 0.00 N ATOM 1387 CA ASP A 85 13.286 1.383 -7.696 1.00 0.00 C ATOM 1388 C ASP A 85 14.403 1.302 -6.700 1.00 0.00 C ATOM 1389 O ASP A 85 14.310 1.868 -5.608 1.00 0.00 O ATOM 1390 CB ASP A 85 12.954 2.849 -7.996 1.00 0.00 C ATOM 1391 CG ASP A 85 14.164 3.651 -8.437 1.00 0.00 C ATOM 1392 OD1 ASP A 85 14.531 3.591 -9.631 1.00 0.00 O ATOM 1393 OD2 ASP A 85 14.756 4.366 -7.590 1.00 0.00 O ATOM 0 H ASP A 85 11.547 1.190 -6.548 1.00 0.00 H new ATOM 0 HA ASP A 85 13.594 0.917 -8.632 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.193 2.892 -8.775 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.525 3.308 -7.106 1.00 0.00 H new