USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 565 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 147:sc= 1.21 (180deg=1.06) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.623 X(o=-0.62,f=-0.15) USER MOD Single : A 29 HIS : no HE2:sc= -1.91! C(o=-1.9!,f=-2.5!) USER MOD Single : A 32 LYS NZ :NH3+ 145:sc= 1.62 (180deg=1.38) USER MOD Single : A 38 LYS NZ :NH3+ -169:sc=-0.00237 (180deg=-0.08) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.93 K(o=-0.93,f=-5.8!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 51 GLN : amide:sc= -0.164 K(o=-0.16,f=-0.81) USER MOD Single : A 58 THR OG1 : rot 126:sc= -1.26! USER MOD Single : A 64 LYS NZ :NH3+ -163:sc= -0.0245 (180deg=-0.244) USER MOD Single : A 69 THR OG1 : rot -177:sc= 0.336 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 130:sc= 0.878 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N GLU A 14 -13.546 -4.933 -10.904 1.00 0.00 N ATOM 245 CA GLU A 14 -13.908 -6.002 -9.999 1.00 0.00 C ATOM 246 C GLU A 14 -13.817 -5.552 -8.556 1.00 0.00 C ATOM 247 O GLU A 14 -14.747 -5.759 -7.782 1.00 0.00 O ATOM 248 CB GLU A 14 -13.012 -7.221 -10.220 1.00 0.00 C ATOM 249 CG GLU A 14 -13.408 -8.443 -9.399 1.00 0.00 C ATOM 250 CD GLU A 14 -12.459 -9.595 -9.583 1.00 0.00 C ATOM 251 OE1 GLU A 14 -12.350 -10.124 -10.715 1.00 0.00 O ATOM 252 OE2 GLU A 14 -11.788 -9.989 -8.614 1.00 0.00 O ATOM 0 HA GLU A 14 -14.941 -6.277 -10.210 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.031 -7.485 -11.277 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.984 -6.951 -9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.444 -8.171 -8.344 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.413 -8.756 -9.682 1.00 0.00 H new ATOM 259 N ILE A 15 -12.724 -4.888 -8.211 1.00 0.00 N ATOM 260 CA ILE A 15 -12.461 -4.478 -6.825 1.00 0.00 C ATOM 261 C ILE A 15 -13.541 -3.539 -6.287 1.00 0.00 C ATOM 262 O ILE A 15 -13.803 -3.492 -5.086 1.00 0.00 O ATOM 263 CB ILE A 15 -11.034 -3.849 -6.667 1.00 0.00 C ATOM 264 CG1 ILE A 15 -10.898 -2.483 -7.377 1.00 0.00 C ATOM 265 CG2 ILE A 15 -9.980 -4.814 -7.186 1.00 0.00 C ATOM 266 CD1 ILE A 15 -11.306 -1.277 -6.546 1.00 0.00 C ATOM 0 H ILE A 15 -11.996 -4.617 -8.871 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.492 -5.385 -6.221 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.882 -3.669 -5.603 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.861 -2.355 -7.689 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.503 -2.501 -8.283 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.992 -4.369 -7.072 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.027 -5.743 -6.619 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.165 -5.023 -8.240 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.174 -0.369 -7.134 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.352 -1.372 -6.256 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.685 -1.224 -5.652 1.00 0.00 H new ATOM 278 N LYS A 16 -14.192 -2.834 -7.189 1.00 0.00 N ATOM 279 CA LYS A 16 -15.225 -1.890 -6.831 1.00 0.00 C ATOM 280 C LYS A 16 -16.482 -2.597 -6.380 1.00 0.00 C ATOM 281 O LYS A 16 -17.271 -2.041 -5.626 1.00 0.00 O ATOM 282 CB LYS A 16 -15.490 -0.930 -7.977 1.00 0.00 C ATOM 283 CG LYS A 16 -14.413 0.120 -8.143 1.00 0.00 C ATOM 284 CD LYS A 16 -14.619 0.933 -9.402 1.00 0.00 C ATOM 285 CE LYS A 16 -13.519 1.955 -9.576 1.00 0.00 C ATOM 286 NZ LYS A 16 -13.665 2.710 -10.827 1.00 0.00 N ATOM 0 H LYS A 16 -14.018 -2.901 -8.192 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.874 -1.301 -5.983 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.579 -1.498 -8.903 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -16.447 -0.435 -7.813 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -14.413 0.782 -7.277 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -13.436 -0.362 -8.176 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.644 0.270 -10.267 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -15.584 1.437 -9.359 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.528 2.645 -8.732 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.552 1.452 -9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.891 3.400 -10.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.631 2.055 -11.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.577 3.211 -10.826 1.00 0.00 H new ATOM 300 N LYS A 17 -16.647 -3.820 -6.831 1.00 0.00 N ATOM 301 CA LYS A 17 -17.757 -4.650 -6.423 1.00 0.00 C ATOM 302 C LYS A 17 -17.321 -5.597 -5.308 1.00 0.00 C ATOM 303 O LYS A 17 -17.979 -5.700 -4.270 1.00 0.00 O ATOM 304 CB LYS A 17 -18.295 -5.456 -7.609 1.00 0.00 C ATOM 305 CG LYS A 17 -18.866 -4.611 -8.740 1.00 0.00 C ATOM 306 CD LYS A 17 -19.391 -5.477 -9.881 1.00 0.00 C ATOM 307 CE LYS A 17 -20.472 -6.440 -9.404 1.00 0.00 C ATOM 308 NZ LYS A 17 -21.033 -7.251 -10.505 1.00 0.00 N ATOM 0 H LYS A 17 -16.013 -4.268 -7.493 1.00 0.00 H new ATOM 0 HA LYS A 17 -18.552 -4.002 -6.054 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -17.491 -6.075 -8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -19.071 -6.132 -7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -19.673 -3.986 -8.356 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -18.095 -3.939 -9.118 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -19.793 -4.839 -10.668 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -18.568 -6.041 -10.319 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -20.055 -7.102 -8.645 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -21.274 -5.875 -8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -21.763 -7.889 -10.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -21.456 -6.623 -11.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -20.275 -7.812 -10.944 1.00 0.00 H new ATOM 322 N LYS A 18 -16.171 -6.231 -5.517 1.00 0.00 N ATOM 323 CA LYS A 18 -15.640 -7.257 -4.630 1.00 0.00 C ATOM 324 C LYS A 18 -15.259 -6.692 -3.279 1.00 0.00 C ATOM 325 O LYS A 18 -15.719 -7.167 -2.247 1.00 0.00 O ATOM 326 CB LYS A 18 -14.439 -7.947 -5.296 1.00 0.00 C ATOM 327 CG LYS A 18 -13.733 -8.981 -4.435 1.00 0.00 C ATOM 328 CD LYS A 18 -12.618 -9.651 -5.208 1.00 0.00 C ATOM 329 CE LYS A 18 -11.830 -10.619 -4.343 1.00 0.00 C ATOM 330 NZ LYS A 18 -10.811 -11.335 -5.124 1.00 0.00 N ATOM 0 H LYS A 18 -15.573 -6.042 -6.321 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.424 -7.994 -4.455 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.779 -8.430 -6.212 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.717 -7.184 -5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.327 -8.503 -3.543 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.449 -9.730 -4.097 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.038 -10.185 -6.060 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.946 -8.891 -5.607 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.350 -10.074 -3.530 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.511 -11.337 -3.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.983 -11.524 -4.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.204 -12.235 -5.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.524 -10.753 -5.936 1.00 0.00 H new ATOM 344 N PHE A 19 -14.449 -5.667 -3.289 1.00 0.00 N ATOM 345 CA PHE A 19 -14.008 -5.051 -2.050 1.00 0.00 C ATOM 346 C PHE A 19 -14.852 -3.821 -1.771 1.00 0.00 C ATOM 347 O PHE A 19 -14.778 -3.221 -0.698 1.00 0.00 O ATOM 348 CB PHE A 19 -12.524 -4.685 -2.128 1.00 0.00 C ATOM 349 CG PHE A 19 -11.629 -5.849 -2.422 1.00 0.00 C ATOM 350 CD1 PHE A 19 -11.350 -6.783 -1.447 1.00 0.00 C ATOM 351 CD2 PHE A 19 -11.082 -6.017 -3.681 1.00 0.00 C ATOM 352 CE1 PHE A 19 -10.542 -7.863 -1.719 1.00 0.00 C ATOM 353 CE2 PHE A 19 -10.276 -7.098 -3.960 1.00 0.00 C ATOM 354 CZ PHE A 19 -10.006 -8.022 -2.975 1.00 0.00 C ATOM 0 H PHE A 19 -14.078 -5.236 -4.136 1.00 0.00 H new ATOM 0 HA PHE A 19 -14.133 -5.761 -1.232 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.386 -3.928 -2.900 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.220 -4.235 -1.183 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.770 -6.666 -0.459 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.289 -5.292 -4.454 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.329 -8.586 -0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.857 -7.221 -4.948 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.374 -8.871 -3.189 1.00 0.00 H new ATOM 364 N LYS A 20 -15.648 -3.472 -2.762 1.00 0.00 N ATOM 365 CA LYS A 20 -16.563 -2.350 -2.741 1.00 0.00 C ATOM 366 C LYS A 20 -15.846 -1.012 -2.546 1.00 0.00 C ATOM 367 O LYS A 20 -15.799 -0.452 -1.452 1.00 0.00 O ATOM 368 CB LYS A 20 -17.717 -2.551 -1.747 1.00 0.00 C ATOM 369 CG LYS A 20 -18.782 -1.461 -1.783 1.00 0.00 C ATOM 370 CD LYS A 20 -19.919 -1.758 -0.824 1.00 0.00 C ATOM 371 CE LYS A 20 -20.632 -3.051 -1.190 1.00 0.00 C ATOM 372 NZ LYS A 20 -21.773 -3.325 -0.303 1.00 0.00 N ATOM 0 H LYS A 20 -15.675 -3.986 -3.643 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.018 -2.309 -3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -18.191 -3.511 -1.950 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -17.306 -2.606 -0.739 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.331 -0.502 -1.527 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -19.174 -1.368 -2.796 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.530 -1.830 0.192 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -20.631 -0.933 -0.835 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -20.981 -2.993 -2.221 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -19.927 -3.880 -1.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -22.229 -4.215 -0.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -21.438 -3.407 0.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -22.460 -2.547 -0.370 1.00 0.00 H new ATOM 386 N LEU A 21 -15.218 -0.557 -3.597 1.00 0.00 N ATOM 387 CA LEU A 21 -14.554 0.745 -3.617 1.00 0.00 C ATOM 388 C LEU A 21 -15.190 1.636 -4.640 1.00 0.00 C ATOM 389 O LEU A 21 -14.601 2.621 -5.069 1.00 0.00 O ATOM 390 CB LEU A 21 -13.054 0.652 -3.884 1.00 0.00 C ATOM 391 CG LEU A 21 -12.164 0.218 -2.727 1.00 0.00 C ATOM 392 CD1 LEU A 21 -12.283 -1.257 -2.437 1.00 0.00 C ATOM 393 CD2 LEU A 21 -10.743 0.605 -3.007 1.00 0.00 C ATOM 0 H LEU A 21 -15.145 -1.072 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.677 1.167 -2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.901 -0.045 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -12.711 1.629 -4.225 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.503 0.736 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.630 -1.518 -1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.315 -1.495 -2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.991 -1.826 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.110 0.292 -2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.407 0.118 -3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.677 1.686 -3.126 1.00 0.00 H new ATOM 405 N THR A 22 -16.381 1.249 -5.048 1.00 0.00 N ATOM 406 CA THR A 22 -17.166 1.993 -6.003 1.00 0.00 C ATOM 407 C THR A 22 -17.385 3.448 -5.507 1.00 0.00 C ATOM 408 O THR A 22 -18.117 3.704 -4.538 1.00 0.00 O ATOM 409 CB THR A 22 -18.517 1.242 -6.309 1.00 0.00 C ATOM 410 OG1 THR A 22 -19.326 1.945 -7.266 1.00 0.00 O ATOM 411 CG2 THR A 22 -19.330 0.946 -5.046 1.00 0.00 C ATOM 0 H THR A 22 -16.834 0.397 -4.719 1.00 0.00 H new ATOM 0 HA THR A 22 -16.622 2.059 -6.945 1.00 0.00 H new ATOM 0 HB THR A 22 -18.224 0.287 -6.746 1.00 0.00 H new ATOM 0 HG1 THR A 22 -20.152 1.443 -7.427 1.00 0.00 H new ATOM 0 HG21 THR A 22 -20.250 0.428 -5.318 1.00 0.00 H new ATOM 0 HG22 THR A 22 -18.744 0.317 -4.375 1.00 0.00 H new ATOM 0 HG23 THR A 22 -19.576 1.882 -4.544 1.00 0.00 H new ATOM 419 N GLY A 23 -16.667 4.363 -6.113 1.00 0.00 N ATOM 420 CA GLY A 23 -16.735 5.737 -5.730 1.00 0.00 C ATOM 421 C GLY A 23 -15.355 6.280 -5.409 1.00 0.00 C ATOM 422 O GLY A 23 -14.350 5.693 -5.818 1.00 0.00 O ATOM 0 H GLY A 23 -16.024 4.169 -6.881 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -17.182 6.321 -6.535 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.383 5.844 -4.860 1.00 0.00 H new ATOM 426 N PRO A 24 -15.268 7.383 -4.668 1.00 0.00 N ATOM 427 CA PRO A 24 -14.010 8.021 -4.340 1.00 0.00 C ATOM 428 C PRO A 24 -13.407 7.495 -3.037 1.00 0.00 C ATOM 429 O PRO A 24 -13.997 7.643 -1.956 1.00 0.00 O ATOM 430 CB PRO A 24 -14.404 9.494 -4.171 1.00 0.00 C ATOM 431 CG PRO A 24 -15.908 9.528 -4.113 1.00 0.00 C ATOM 432 CD PRO A 24 -16.390 8.108 -4.089 1.00 0.00 C ATOM 0 HA PRO A 24 -13.252 7.839 -5.102 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.971 9.910 -3.261 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.034 10.093 -5.003 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.246 10.063 -3.225 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -16.313 10.056 -4.976 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -16.611 7.772 -3.076 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -17.301 7.979 -4.673 1.00 0.00 H new ATOM 440 N ILE A 25 -12.250 6.902 -3.123 1.00 0.00 N ATOM 441 CA ILE A 25 -11.581 6.366 -1.958 1.00 0.00 C ATOM 442 C ILE A 25 -10.246 7.072 -1.699 1.00 0.00 C ATOM 443 O ILE A 25 -9.569 7.506 -2.639 1.00 0.00 O ATOM 444 CB ILE A 25 -11.461 4.804 -2.009 1.00 0.00 C ATOM 445 CG1 ILE A 25 -10.869 4.266 -3.344 1.00 0.00 C ATOM 446 CG2 ILE A 25 -12.804 4.146 -1.724 1.00 0.00 C ATOM 447 CD1 ILE A 25 -9.379 4.480 -3.541 1.00 0.00 C ATOM 0 H ILE A 25 -11.740 6.774 -3.997 1.00 0.00 H new ATOM 0 HA ILE A 25 -12.209 6.580 -1.093 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.752 4.536 -1.226 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.074 3.197 -3.406 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.397 4.741 -4.171 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.694 3.062 -1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.149 4.438 -0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -13.531 4.466 -2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.076 4.066 -4.503 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.159 5.547 -3.519 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.831 3.980 -2.742 1.00 0.00 H new ATOM 459 N GLN A 26 -9.909 7.259 -0.441 1.00 0.00 N ATOM 460 CA GLN A 26 -8.698 7.975 -0.072 1.00 0.00 C ATOM 461 C GLN A 26 -7.797 7.063 0.741 1.00 0.00 C ATOM 462 O GLN A 26 -8.278 6.130 1.374 1.00 0.00 O ATOM 463 CB GLN A 26 -8.993 9.232 0.780 1.00 0.00 C ATOM 464 CG GLN A 26 -9.809 10.384 0.153 1.00 0.00 C ATOM 465 CD GLN A 26 -11.272 10.080 -0.104 1.00 0.00 C ATOM 466 OE1 GLN A 26 -12.114 10.231 0.787 1.00 0.00 O ATOM 467 NE2 GLN A 26 -11.612 9.763 -1.315 1.00 0.00 N ATOM 0 H GLN A 26 -10.458 6.924 0.351 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.219 8.288 -1.000 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.519 8.906 1.677 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.037 9.643 1.103 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.746 11.251 0.810 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.343 10.665 -0.791 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.896 9.645 -2.031 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.596 9.632 -1.551 1.00 0.00 H new ATOM 476 N VAL A 27 -6.509 7.336 0.730 1.00 0.00 N ATOM 477 CA VAL A 27 -5.560 6.553 1.514 1.00 0.00 C ATOM 478 C VAL A 27 -5.649 6.860 2.989 1.00 0.00 C ATOM 479 O VAL A 27 -5.797 8.025 3.403 1.00 0.00 O ATOM 480 CB VAL A 27 -4.077 6.728 1.074 1.00 0.00 C ATOM 481 CG1 VAL A 27 -3.816 6.044 -0.231 1.00 0.00 C ATOM 482 CG2 VAL A 27 -3.683 8.203 0.987 1.00 0.00 C ATOM 0 H VAL A 27 -6.090 8.092 0.189 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.854 5.521 1.324 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.460 6.260 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.772 6.184 -0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.026 4.979 -0.132 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.460 6.471 -1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.641 8.284 0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.318 8.707 0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.808 8.671 1.963 1.00 0.00 H new ATOM 492 N ILE A 28 -5.594 5.826 3.780 1.00 0.00 N ATOM 493 CA ILE A 28 -5.515 6.007 5.208 1.00 0.00 C ATOM 494 C ILE A 28 -4.041 6.043 5.591 1.00 0.00 C ATOM 495 O ILE A 28 -3.615 6.849 6.418 1.00 0.00 O ATOM 496 CB ILE A 28 -6.232 4.878 6.003 1.00 0.00 C ATOM 497 CG1 ILE A 28 -7.699 4.733 5.566 1.00 0.00 C ATOM 498 CG2 ILE A 28 -6.166 5.164 7.503 1.00 0.00 C ATOM 499 CD1 ILE A 28 -8.552 5.968 5.785 1.00 0.00 C ATOM 0 H ILE A 28 -5.602 4.855 3.467 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.023 6.937 5.464 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.717 3.941 5.790 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.724 4.474 4.508 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.145 3.900 6.109 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.671 4.367 8.048 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.124 5.215 7.818 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.656 6.115 7.714 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.570 5.772 5.448 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.563 6.219 6.846 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.137 6.802 5.219 1.00 0.00 H new ATOM 511 N HIS A 29 -3.259 5.160 4.974 1.00 0.00 N ATOM 512 CA HIS A 29 -1.813 5.082 5.204 1.00 0.00 C ATOM 513 C HIS A 29 -1.134 4.523 3.974 1.00 0.00 C ATOM 514 O HIS A 29 -1.795 4.136 3.007 1.00 0.00 O ATOM 515 CB HIS A 29 -1.408 4.181 6.423 1.00 0.00 C ATOM 516 CG HIS A 29 -1.777 4.643 7.796 1.00 0.00 C ATOM 517 ND1 HIS A 29 -0.892 5.267 8.634 1.00 0.00 N ATOM 518 CD2 HIS A 29 -2.925 4.521 8.493 1.00 0.00 C ATOM 519 CE1 HIS A 29 -1.485 5.513 9.780 1.00 0.00 C ATOM 520 NE2 HIS A 29 -2.714 5.068 9.714 1.00 0.00 N ATOM 0 H HIS A 29 -3.607 4.478 4.300 1.00 0.00 H new ATOM 0 HA HIS A 29 -1.494 6.101 5.425 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -1.852 3.197 6.272 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.326 4.050 6.395 1.00 0.00 H new ATOM 0 HD1 HIS A 29 0.074 5.503 8.405 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.842 4.071 8.143 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.035 6.000 10.632 1.00 0.00 H new ATOM 529 N LEU A 30 0.176 4.443 4.036 1.00 0.00 N ATOM 530 CA LEU A 30 0.962 3.861 2.985 1.00 0.00 C ATOM 531 C LEU A 30 1.655 2.628 3.530 1.00 0.00 C ATOM 532 O LEU A 30 2.472 2.711 4.474 1.00 0.00 O ATOM 533 CB LEU A 30 2.008 4.850 2.411 1.00 0.00 C ATOM 534 CG LEU A 30 1.509 6.054 1.571 1.00 0.00 C ATOM 535 CD1 LEU A 30 0.687 5.602 0.393 1.00 0.00 C ATOM 536 CD2 LEU A 30 0.748 7.070 2.401 1.00 0.00 C ATOM 0 H LEU A 30 0.725 4.784 4.825 1.00 0.00 H new ATOM 0 HA LEU A 30 0.296 3.599 2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.583 5.246 3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.699 4.278 1.792 1.00 0.00 H new ATOM 0 HG LEU A 30 2.401 6.554 1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.354 6.472 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.292 4.961 -0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.181 5.045 0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.422 7.891 1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.123 6.593 2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.397 7.457 3.187 1.00 0.00 H new ATOM 548 N ALA A 31 1.328 1.510 2.967 1.00 0.00 N ATOM 549 CA ALA A 31 1.877 0.243 3.362 1.00 0.00 C ATOM 550 C ALA A 31 2.922 -0.159 2.354 1.00 0.00 C ATOM 551 O ALA A 31 3.102 0.481 1.339 1.00 0.00 O ATOM 552 CB ALA A 31 0.751 -0.781 3.421 1.00 0.00 C ATOM 0 H ALA A 31 0.657 1.446 2.202 1.00 0.00 H new ATOM 0 HA ALA A 31 2.342 0.305 4.346 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.154 -1.748 3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.004 -0.459 4.147 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.287 -0.869 2.438 1.00 0.00 H new ATOM 558 N LYS A 32 3.655 -1.126 2.674 1.00 0.00 N ATOM 559 CA LYS A 32 4.625 -1.670 1.837 1.00 0.00 C ATOM 560 C LYS A 32 4.708 -3.076 2.247 1.00 0.00 C ATOM 561 O LYS A 32 5.055 -3.386 3.389 1.00 0.00 O ATOM 562 CB LYS A 32 6.004 -0.918 1.816 1.00 0.00 C ATOM 563 CG LYS A 32 6.748 -0.751 3.142 1.00 0.00 C ATOM 564 CD LYS A 32 6.113 0.271 4.074 1.00 0.00 C ATOM 565 CE LYS A 32 6.135 1.683 3.520 1.00 0.00 C ATOM 566 NZ LYS A 32 5.530 2.642 4.476 1.00 0.00 N ATOM 0 H LYS A 32 3.595 -1.591 3.580 1.00 0.00 H new ATOM 0 HA LYS A 32 4.338 -1.563 0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.663 -1.447 1.127 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.837 0.075 1.399 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.790 -1.715 3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.776 -0.453 2.937 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.081 -0.019 4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.636 0.255 5.030 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.163 1.977 3.307 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.592 1.715 2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.032 3.551 4.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.528 2.784 4.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.606 2.264 5.442 1.00 0.00 H new ATOM 580 N ALA A 33 4.208 -3.885 1.415 1.00 0.00 N ATOM 581 CA ALA A 33 4.134 -5.285 1.659 1.00 0.00 C ATOM 582 C ALA A 33 5.515 -5.876 1.764 1.00 0.00 C ATOM 583 O ALA A 33 6.404 -5.563 0.961 1.00 0.00 O ATOM 584 CB ALA A 33 3.275 -5.954 0.597 1.00 0.00 C ATOM 0 H ALA A 33 3.823 -3.600 0.514 1.00 0.00 H new ATOM 0 HA ALA A 33 3.649 -5.467 2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.224 -7.025 0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.270 -5.532 0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.714 -5.785 -0.386 1.00 0.00 H new ATOM 590 N CYS A 34 5.722 -6.664 2.768 1.00 0.00 N ATOM 591 CA CYS A 34 6.993 -7.257 2.964 1.00 0.00 C ATOM 592 C CYS A 34 6.906 -8.691 2.861 1.00 0.00 C ATOM 593 O CYS A 34 5.887 -9.303 3.213 1.00 0.00 O ATOM 594 CB CYS A 34 7.625 -6.984 4.337 1.00 0.00 C ATOM 595 SG CYS A 34 9.280 -7.851 4.548 1.00 0.00 S ATOM 0 H CYS A 34 5.020 -6.910 3.466 1.00 0.00 H new ATOM 0 HA CYS A 34 7.612 -6.805 2.189 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.761 -5.910 4.464 1.00 0.00 H new ATOM 0 HB3 CYS A 34 6.943 -7.314 5.120 1.00 0.00 H new ATOM 600 N CYS A 35 7.987 -9.221 2.383 1.00 0.00 N ATOM 601 CA CYS A 35 8.298 -10.575 2.476 1.00 0.00 C ATOM 602 C CYS A 35 7.375 -11.426 1.573 1.00 0.00 C ATOM 603 O CYS A 35 6.525 -10.900 0.821 1.00 0.00 O ATOM 604 CB CYS A 35 8.186 -10.968 3.974 1.00 0.00 C ATOM 605 SG CYS A 35 8.938 -9.792 5.278 1.00 0.00 S ATOM 0 H CYS A 35 8.699 -8.677 1.897 1.00 0.00 H new ATOM 0 HA CYS A 35 9.310 -10.767 2.120 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.128 -11.090 4.207 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.655 -11.944 4.097 1.00 0.00 H new ATOM 610 N ASP A 36 7.609 -12.696 1.572 1.00 0.00 N ATOM 611 CA ASP A 36 6.740 -13.631 0.885 1.00 0.00 C ATOM 612 C ASP A 36 5.501 -13.866 1.737 1.00 0.00 C ATOM 613 O ASP A 36 5.580 -14.421 2.841 1.00 0.00 O ATOM 614 CB ASP A 36 7.452 -14.946 0.587 1.00 0.00 C ATOM 615 CG ASP A 36 6.576 -15.909 -0.176 1.00 0.00 C ATOM 616 OD1 ASP A 36 6.458 -15.768 -1.425 1.00 0.00 O ATOM 617 OD2 ASP A 36 6.008 -16.834 0.437 1.00 0.00 O ATOM 0 H ASP A 36 8.404 -13.128 2.043 1.00 0.00 H new ATOM 0 HA ASP A 36 6.451 -13.205 -0.076 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.356 -14.745 0.011 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.766 -15.407 1.523 1.00 0.00 H new ATOM 622 N VAL A 37 4.393 -13.412 1.237 1.00 0.00 N ATOM 623 CA VAL A 37 3.124 -13.420 1.939 1.00 0.00 C ATOM 624 C VAL A 37 2.176 -14.409 1.313 1.00 0.00 C ATOM 625 O VAL A 37 2.372 -14.811 0.151 1.00 0.00 O ATOM 626 CB VAL A 37 2.430 -12.035 1.916 1.00 0.00 C ATOM 627 CG1 VAL A 37 3.360 -10.942 2.371 1.00 0.00 C ATOM 628 CG2 VAL A 37 1.850 -11.721 0.548 1.00 0.00 C ATOM 0 H VAL A 37 4.334 -13.011 0.301 1.00 0.00 H new ATOM 0 HA VAL A 37 3.352 -13.694 2.969 1.00 0.00 H new ATOM 0 HB VAL A 37 1.602 -12.082 2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.839 -9.985 2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.689 -11.145 3.390 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.227 -10.903 1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.372 -10.742 0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.649 -11.717 -0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.113 -12.479 0.283 1.00 0.00 H new ATOM 638 N LYS A 38 1.207 -14.860 2.099 1.00 0.00 N ATOM 639 CA LYS A 38 0.124 -15.672 1.588 1.00 0.00 C ATOM 640 C LYS A 38 -0.502 -15.026 0.331 1.00 0.00 C ATOM 641 O LYS A 38 -0.354 -15.567 -0.770 1.00 0.00 O ATOM 642 CB LYS A 38 -0.902 -15.970 2.692 1.00 0.00 C ATOM 643 CG LYS A 38 -2.242 -16.426 2.174 1.00 0.00 C ATOM 644 CD LYS A 38 -3.138 -16.974 3.271 1.00 0.00 C ATOM 645 CE LYS A 38 -2.654 -18.317 3.791 1.00 0.00 C ATOM 646 NZ LYS A 38 -2.821 -19.406 2.804 1.00 0.00 N ATOM 0 H LYS A 38 1.154 -14.672 3.100 1.00 0.00 H new ATOM 0 HA LYS A 38 0.522 -16.636 1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.498 -16.738 3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.043 -15.073 3.295 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.742 -15.590 1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.092 -17.194 1.415 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.179 -16.261 4.094 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.154 -17.079 2.890 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.602 -18.238 4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.201 -18.569 4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.653 -20.322 3.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.788 -19.383 2.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.139 -19.279 2.029 1.00 0.00 H new ATOM 660 N GLY A 39 -1.145 -13.874 0.484 1.00 0.00 N ATOM 661 CA GLY A 39 -1.642 -13.136 -0.690 1.00 0.00 C ATOM 662 C GLY A 39 -2.648 -13.911 -1.534 1.00 0.00 C ATOM 663 O GLY A 39 -2.528 -13.950 -2.768 1.00 0.00 O ATOM 0 H GLY A 39 -1.335 -13.432 1.383 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.105 -12.209 -0.353 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.794 -12.860 -1.317 1.00 0.00 H new ATOM 667 N GLY A 40 -3.565 -14.581 -0.873 1.00 0.00 N ATOM 668 CA GLY A 40 -4.555 -15.432 -1.535 1.00 0.00 C ATOM 669 C GLY A 40 -5.585 -14.690 -2.406 1.00 0.00 C ATOM 670 O GLY A 40 -5.358 -13.565 -2.847 1.00 0.00 O ATOM 0 H GLY A 40 -3.654 -14.558 0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.029 -16.154 -2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.090 -15.999 -0.773 1.00 0.00 H new ATOM 674 N LYS A 41 -6.722 -15.338 -2.652 1.00 0.00 N ATOM 675 CA LYS A 41 -7.762 -14.812 -3.548 1.00 0.00 C ATOM 676 C LYS A 41 -8.413 -13.528 -3.043 1.00 0.00 C ATOM 677 O LYS A 41 -8.851 -12.696 -3.835 1.00 0.00 O ATOM 678 CB LYS A 41 -8.842 -15.863 -3.860 1.00 0.00 C ATOM 679 CG LYS A 41 -9.675 -16.332 -2.671 1.00 0.00 C ATOM 680 CD LYS A 41 -10.818 -17.217 -3.139 1.00 0.00 C ATOM 681 CE LYS A 41 -11.723 -17.652 -1.995 1.00 0.00 C ATOM 682 NZ LYS A 41 -12.876 -18.440 -2.485 1.00 0.00 N ATOM 0 H LYS A 41 -6.953 -16.242 -2.239 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.236 -14.563 -4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.516 -15.452 -4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.358 -16.732 -4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.045 -16.881 -1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.071 -15.470 -2.134 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.409 -16.680 -3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.411 -18.100 -3.633 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.151 -18.247 -1.283 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.083 -16.773 -1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.472 -18.720 -1.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.435 -17.863 -3.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.532 -19.291 -2.974 1.00 0.00 H new ATOM 696 N ASN A 42 -8.506 -13.370 -1.751 1.00 0.00 N ATOM 697 CA ASN A 42 -9.097 -12.160 -1.198 1.00 0.00 C ATOM 698 C ASN A 42 -8.022 -11.148 -0.917 1.00 0.00 C ATOM 699 O ASN A 42 -8.284 -9.962 -0.812 1.00 0.00 O ATOM 700 CB ASN A 42 -9.914 -12.437 0.085 1.00 0.00 C ATOM 701 CG ASN A 42 -9.097 -12.984 1.257 1.00 0.00 C ATOM 702 OD1 ASN A 42 -8.086 -13.669 1.070 1.00 0.00 O ATOM 703 ND2 ASN A 42 -9.548 -12.730 2.462 1.00 0.00 N ATOM 0 H ASN A 42 -8.187 -14.049 -1.060 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.789 -11.766 -1.942 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.398 -11.512 0.398 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.706 -13.148 -0.151 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.061 -13.102 3.278 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.386 -12.161 2.584 1.00 0.00 H new ATOM 710 N GLU A 43 -6.816 -11.613 -0.856 1.00 0.00 N ATOM 711 CA GLU A 43 -5.712 -10.782 -0.520 1.00 0.00 C ATOM 712 C GLU A 43 -5.077 -10.221 -1.767 1.00 0.00 C ATOM 713 O GLU A 43 -5.425 -10.611 -2.898 1.00 0.00 O ATOM 714 CB GLU A 43 -4.703 -11.562 0.301 1.00 0.00 C ATOM 715 CG GLU A 43 -5.251 -12.060 1.624 1.00 0.00 C ATOM 716 CD GLU A 43 -4.321 -13.023 2.289 1.00 0.00 C ATOM 717 OE1 GLU A 43 -4.140 -14.122 1.748 1.00 0.00 O ATOM 718 OE2 GLU A 43 -3.796 -12.728 3.373 1.00 0.00 O ATOM 0 H GLU A 43 -6.571 -12.586 -1.039 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.069 -9.946 0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.354 -12.414 -0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.836 -10.930 0.492 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.428 -11.212 2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.215 -12.542 1.459 1.00 0.00 H new ATOM 725 N LEU A 44 -4.186 -9.304 -1.577 1.00 0.00 N ATOM 726 CA LEU A 44 -3.513 -8.688 -2.669 1.00 0.00 C ATOM 727 C LEU A 44 -2.371 -9.568 -3.065 1.00 0.00 C ATOM 728 O LEU A 44 -1.637 -10.088 -2.214 1.00 0.00 O ATOM 729 CB LEU A 44 -2.972 -7.335 -2.251 1.00 0.00 C ATOM 730 CG LEU A 44 -3.049 -6.186 -3.259 1.00 0.00 C ATOM 731 CD1 LEU A 44 -2.619 -4.901 -2.592 1.00 0.00 C ATOM 732 CD2 LEU A 44 -2.181 -6.451 -4.467 1.00 0.00 C ATOM 0 H LEU A 44 -3.905 -8.961 -0.658 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.205 -8.550 -3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.505 -7.026 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.926 -7.465 -1.973 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.081 -6.101 -3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.674 -4.082 -3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.278 -4.690 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.594 -5.002 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.260 -5.615 -5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.144 -6.565 -4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.513 -7.365 -4.960 1.00 0.00 H new ATOM 744 N SER A 45 -2.191 -9.696 -4.315 1.00 0.00 N ATOM 745 CA SER A 45 -1.129 -10.486 -4.859 1.00 0.00 C ATOM 746 C SER A 45 0.143 -9.622 -4.950 1.00 0.00 C ATOM 747 O SER A 45 0.696 -9.383 -6.028 1.00 0.00 O ATOM 748 CB SER A 45 -1.555 -11.017 -6.223 1.00 0.00 C ATOM 749 OG SER A 45 -2.820 -11.678 -6.120 1.00 0.00 O ATOM 0 H SER A 45 -2.781 -9.252 -5.018 1.00 0.00 H new ATOM 0 HA SER A 45 -0.910 -11.340 -4.218 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.622 -10.196 -6.937 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.804 -11.709 -6.603 1.00 0.00 H new ATOM 0 HG SER A 45 -3.086 -12.014 -7.001 1.00 0.00 H new ATOM 755 N PHE A 46 0.564 -9.124 -3.808 1.00 0.00 N ATOM 756 CA PHE A 46 1.730 -8.289 -3.711 1.00 0.00 C ATOM 757 C PHE A 46 2.958 -9.089 -3.331 1.00 0.00 C ATOM 758 O PHE A 46 2.912 -10.330 -3.221 1.00 0.00 O ATOM 759 CB PHE A 46 1.510 -7.091 -2.760 1.00 0.00 C ATOM 760 CG PHE A 46 0.939 -7.420 -1.397 1.00 0.00 C ATOM 761 CD1 PHE A 46 1.448 -8.438 -0.627 1.00 0.00 C ATOM 762 CD2 PHE A 46 -0.095 -6.679 -0.885 1.00 0.00 C ATOM 763 CE1 PHE A 46 0.930 -8.708 0.612 1.00 0.00 C ATOM 764 CE2 PHE A 46 -0.614 -6.957 0.360 1.00 0.00 C ATOM 765 CZ PHE A 46 -0.092 -7.980 1.104 1.00 0.00 C ATOM 0 H PHE A 46 0.099 -9.292 -2.916 1.00 0.00 H new ATOM 0 HA PHE A 46 1.907 -7.874 -4.703 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.465 -6.585 -2.619 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.843 -6.382 -3.250 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.267 -9.033 -1.004 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.508 -5.867 -1.465 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.345 -9.513 1.201 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.432 -6.368 0.749 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.497 -8.203 2.080 1.00 0.00 H new ATOM 775 N LYS A 47 4.032 -8.390 -3.122 1.00 0.00 N ATOM 776 CA LYS A 47 5.308 -8.962 -2.858 1.00 0.00 C ATOM 777 C LYS A 47 6.053 -8.101 -1.858 1.00 0.00 C ATOM 778 O LYS A 47 5.524 -7.134 -1.332 1.00 0.00 O ATOM 779 CB LYS A 47 6.134 -9.039 -4.152 1.00 0.00 C ATOM 780 CG LYS A 47 5.523 -9.862 -5.264 1.00 0.00 C ATOM 781 CD LYS A 47 6.419 -9.885 -6.476 1.00 0.00 C ATOM 782 CE LYS A 47 7.741 -10.569 -6.166 1.00 0.00 C ATOM 783 NZ LYS A 47 8.608 -10.670 -7.353 1.00 0.00 N ATOM 0 H LYS A 47 4.039 -7.370 -3.132 1.00 0.00 H new ATOM 0 HA LYS A 47 5.164 -9.965 -2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.296 -8.026 -4.520 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.114 -9.452 -3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.351 -10.880 -4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.551 -9.450 -5.534 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.919 -10.406 -7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.604 -8.866 -6.815 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.261 -10.014 -5.385 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.548 -11.567 -5.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.497 -11.143 -7.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.124 -11.222 -8.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.815 -9.717 -7.714 1.00 0.00 H new ATOM 797 N GLN A 48 7.265 -8.454 -1.659 1.00 0.00 N ATOM 798 CA GLN A 48 8.193 -7.820 -0.781 1.00 0.00 C ATOM 799 C GLN A 48 8.740 -6.588 -1.454 1.00 0.00 C ATOM 800 O GLN A 48 9.384 -6.667 -2.508 1.00 0.00 O ATOM 801 CB GLN A 48 9.339 -8.794 -0.430 1.00 0.00 C ATOM 802 CG GLN A 48 10.458 -8.173 0.404 1.00 0.00 C ATOM 803 CD GLN A 48 11.503 -9.183 0.818 1.00 0.00 C ATOM 804 OE1 GLN A 48 11.752 -10.164 0.120 1.00 0.00 O ATOM 805 NE2 GLN A 48 12.116 -8.956 1.941 1.00 0.00 N ATOM 0 H GLN A 48 7.674 -9.255 -2.139 1.00 0.00 H new ATOM 0 HA GLN A 48 7.690 -7.535 0.143 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.925 -9.643 0.114 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.764 -9.184 -1.355 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.934 -7.377 -0.169 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.030 -7.713 1.295 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.881 -8.131 2.492 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.832 -9.603 2.271 1.00 0.00 H new ATOM 814 N GLY A 49 8.431 -5.472 -0.887 1.00 0.00 N ATOM 815 CA GLY A 49 8.891 -4.216 -1.409 1.00 0.00 C ATOM 816 C GLY A 49 7.858 -3.613 -2.307 1.00 0.00 C ATOM 817 O GLY A 49 8.123 -2.643 -3.040 1.00 0.00 O ATOM 0 H GLY A 49 7.854 -5.397 -0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.112 -3.533 -0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.820 -4.363 -1.960 1.00 0.00 H new ATOM 821 N GLU A 50 6.688 -4.201 -2.281 1.00 0.00 N ATOM 822 CA GLU A 50 5.585 -3.734 -3.050 1.00 0.00 C ATOM 823 C GLU A 50 4.926 -2.552 -2.394 1.00 0.00 C ATOM 824 O GLU A 50 4.473 -2.608 -1.236 1.00 0.00 O ATOM 825 CB GLU A 50 4.605 -4.858 -3.341 1.00 0.00 C ATOM 826 CG GLU A 50 5.017 -5.719 -4.526 1.00 0.00 C ATOM 827 CD GLU A 50 4.984 -4.971 -5.834 1.00 0.00 C ATOM 828 OE1 GLU A 50 5.994 -4.331 -6.206 1.00 0.00 O ATOM 829 OE2 GLU A 50 3.941 -4.992 -6.506 1.00 0.00 O ATOM 0 H GLU A 50 6.483 -5.025 -1.716 1.00 0.00 H new ATOM 0 HA GLU A 50 5.963 -3.388 -4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.512 -5.488 -2.457 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.620 -4.432 -3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.023 -6.102 -4.358 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.354 -6.582 -4.590 1.00 0.00 H new ATOM 836 N GLN A 51 4.859 -1.509 -3.147 1.00 0.00 N ATOM 837 CA GLN A 51 4.348 -0.266 -2.724 1.00 0.00 C ATOM 838 C GLN A 51 2.898 -0.270 -2.941 1.00 0.00 C ATOM 839 O GLN A 51 2.384 -0.126 -4.052 1.00 0.00 O ATOM 840 CB GLN A 51 5.004 0.896 -3.472 1.00 0.00 C ATOM 841 CG GLN A 51 6.463 1.116 -3.119 1.00 0.00 C ATOM 842 CD GLN A 51 6.656 1.492 -1.660 1.00 0.00 C ATOM 843 OE1 GLN A 51 5.780 2.103 -1.034 1.00 0.00 O ATOM 844 NE2 GLN A 51 7.783 1.154 -1.109 1.00 0.00 N ATOM 0 H GLN A 51 5.175 -1.507 -4.117 1.00 0.00 H new ATOM 0 HA GLN A 51 4.571 -0.125 -1.666 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.924 0.715 -4.544 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.449 1.810 -3.261 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.027 0.209 -3.335 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.872 1.904 -3.751 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.485 0.651 -1.651 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.966 1.392 -0.134 1.00 0.00 H new ATOM 853 N ILE A 52 2.284 -0.561 -1.906 1.00 0.00 N ATOM 854 CA ILE A 52 0.865 -0.569 -1.793 1.00 0.00 C ATOM 855 C ILE A 52 0.352 0.563 -0.918 1.00 0.00 C ATOM 856 O ILE A 52 1.088 1.172 -0.154 1.00 0.00 O ATOM 857 CB ILE A 52 0.370 -1.887 -1.226 1.00 0.00 C ATOM 858 CG1 ILE A 52 0.936 -2.101 0.138 1.00 0.00 C ATOM 859 CG2 ILE A 52 0.761 -3.030 -2.123 1.00 0.00 C ATOM 860 CD1 ILE A 52 0.497 -3.366 0.723 1.00 0.00 C ATOM 0 H ILE A 52 2.757 -0.822 -1.041 1.00 0.00 H new ATOM 0 HA ILE A 52 0.478 -0.432 -2.803 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.717 -1.848 -1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.025 -2.085 0.085 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.637 -1.278 0.787 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.397 -3.966 -1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.323 -2.884 -3.110 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.847 -3.069 -2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.934 -3.479 1.715 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.590 -3.372 0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.820 -4.192 0.089 1.00 0.00 H new ATOM 872 N GLU A 53 -0.874 0.888 -1.079 1.00 0.00 N ATOM 873 CA GLU A 53 -1.492 1.878 -0.239 1.00 0.00 C ATOM 874 C GLU A 53 -2.711 1.249 0.370 1.00 0.00 C ATOM 875 O GLU A 53 -3.389 0.492 -0.304 1.00 0.00 O ATOM 876 CB GLU A 53 -1.933 3.084 -1.058 1.00 0.00 C ATOM 877 CG GLU A 53 -0.902 3.631 -2.028 1.00 0.00 C ATOM 878 CD GLU A 53 -1.473 4.729 -2.886 1.00 0.00 C ATOM 879 OE1 GLU A 53 -2.341 4.439 -3.727 1.00 0.00 O ATOM 880 OE2 GLU A 53 -1.053 5.900 -2.751 1.00 0.00 O ATOM 0 H GLU A 53 -1.487 0.487 -1.788 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.782 2.212 0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.826 2.812 -1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.219 3.881 -0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.045 4.012 -1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.537 2.825 -2.664 1.00 0.00 H new ATOM 887 N ILE A 54 -2.984 1.514 1.630 1.00 0.00 N ATOM 888 CA ILE A 54 -4.217 0.993 2.200 1.00 0.00 C ATOM 889 C ILE A 54 -5.236 2.102 2.344 1.00 0.00 C ATOM 890 O ILE A 54 -4.965 3.180 2.915 1.00 0.00 O ATOM 891 CB ILE A 54 -4.093 0.139 3.522 1.00 0.00 C ATOM 892 CG1 ILE A 54 -3.768 0.968 4.758 1.00 0.00 C ATOM 893 CG2 ILE A 54 -3.033 -0.928 3.346 1.00 0.00 C ATOM 894 CD1 ILE A 54 -2.396 1.521 4.748 1.00 0.00 C ATOM 0 H ILE A 54 -2.400 2.063 2.260 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.556 0.254 1.474 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.073 -0.308 3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.482 1.788 4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.896 0.349 5.646 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.952 -1.514 4.261 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.309 -1.582 2.519 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.074 -0.456 3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.231 2.100 5.656 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.675 0.705 4.702 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.270 2.166 3.878 1.00 0.00 H new ATOM 906 N ILE A 55 -6.376 1.844 1.809 1.00 0.00 N ATOM 907 CA ILE A 55 -7.446 2.814 1.709 1.00 0.00 C ATOM 908 C ILE A 55 -8.492 2.560 2.784 1.00 0.00 C ATOM 909 O ILE A 55 -9.258 3.449 3.174 1.00 0.00 O ATOM 910 CB ILE A 55 -8.105 2.747 0.278 1.00 0.00 C ATOM 911 CG1 ILE A 55 -7.202 3.327 -0.831 1.00 0.00 C ATOM 912 CG2 ILE A 55 -9.488 3.360 0.215 1.00 0.00 C ATOM 913 CD1 ILE A 55 -6.000 2.488 -1.185 1.00 0.00 C ATOM 0 H ILE A 55 -6.612 0.934 1.414 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.031 3.811 1.858 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.221 1.680 0.087 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.803 3.469 -1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.858 4.313 -0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.877 3.277 -0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.151 2.834 0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.433 4.411 0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.431 2.982 -1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.369 2.366 -0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.329 1.509 -1.534 1.00 0.00 H new ATOM 925 N ARG A 56 -8.521 1.371 3.286 1.00 0.00 N ATOM 926 CA ARG A 56 -9.534 1.060 4.234 1.00 0.00 C ATOM 927 C ARG A 56 -9.008 0.295 5.405 1.00 0.00 C ATOM 928 O ARG A 56 -8.344 -0.738 5.246 1.00 0.00 O ATOM 929 CB ARG A 56 -10.655 0.299 3.560 1.00 0.00 C ATOM 930 CG ARG A 56 -11.848 0.049 4.448 1.00 0.00 C ATOM 931 CD ARG A 56 -12.960 -0.579 3.663 1.00 0.00 C ATOM 932 NE ARG A 56 -13.344 0.261 2.522 1.00 0.00 N ATOM 933 CZ ARG A 56 -13.953 -0.171 1.422 1.00 0.00 C ATOM 934 NH1 ARG A 56 -14.383 -1.422 1.339 1.00 0.00 N ATOM 935 NH2 ARG A 56 -14.165 0.669 0.419 1.00 0.00 N ATOM 0 H ARG A 56 -7.872 0.616 3.063 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.917 2.003 4.623 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.980 0.855 2.680 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.270 -0.658 3.208 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.564 -0.603 5.274 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.188 0.988 4.885 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.648 -1.561 3.307 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.823 -0.735 4.310 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.126 1.256 2.578 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.248 -2.061 2.123 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.849 -1.746 0.492 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.861 1.640 0.494 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.632 0.345 -0.428 1.00 0.00 H new ATOM 949 N ILE A 57 -9.285 0.816 6.574 1.00 0.00 N ATOM 950 CA ILE A 57 -8.975 0.146 7.794 1.00 0.00 C ATOM 951 C ILE A 57 -10.223 -0.612 8.168 1.00 0.00 C ATOM 952 O ILE A 57 -11.214 -0.034 8.627 1.00 0.00 O ATOM 953 CB ILE A 57 -8.595 1.149 8.919 1.00 0.00 C ATOM 954 CG1 ILE A 57 -7.424 2.038 8.475 1.00 0.00 C ATOM 955 CG2 ILE A 57 -8.272 0.433 10.230 1.00 0.00 C ATOM 956 CD1 ILE A 57 -6.184 1.286 8.025 1.00 0.00 C ATOM 0 H ILE A 57 -9.735 1.723 6.698 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.115 -0.512 7.669 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.461 1.784 9.103 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.761 2.676 7.658 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.153 2.695 9.301 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.011 1.168 10.991 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.142 -0.136 10.558 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.432 -0.245 10.077 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.413 1.998 7.731 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.815 0.669 8.845 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.433 0.650 7.176 1.00 0.00 H new ATOM 968 N THR A 58 -10.216 -1.846 7.848 1.00 0.00 N ATOM 969 CA THR A 58 -11.316 -2.710 8.045 1.00 0.00 C ATOM 970 C THR A 58 -11.311 -3.413 9.398 1.00 0.00 C ATOM 971 O THR A 58 -10.264 -3.805 9.923 1.00 0.00 O ATOM 972 CB THR A 58 -11.296 -3.725 6.921 1.00 0.00 C ATOM 973 OG1 THR A 58 -10.011 -3.651 6.279 1.00 0.00 O ATOM 974 CG2 THR A 58 -12.358 -3.420 5.916 1.00 0.00 C ATOM 0 H THR A 58 -9.410 -2.304 7.423 1.00 0.00 H new ATOM 0 HA THR A 58 -12.228 -2.114 8.038 1.00 0.00 H new ATOM 0 HB THR A 58 -11.478 -4.720 7.326 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.603 -4.542 6.260 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.326 -4.161 5.117 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.335 -3.448 6.399 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.189 -2.428 5.498 1.00 0.00 H new ATOM 1037 N GLY A 63 -10.378 -9.788 8.658 1.00 0.00 N ATOM 1038 CA GLY A 63 -9.234 -9.481 9.498 1.00 0.00 C ATOM 1039 C GLY A 63 -8.098 -8.947 8.677 1.00 0.00 C ATOM 1040 O GLY A 63 -6.935 -9.087 9.030 1.00 0.00 O ATOM 0 HA2 GLY A 63 -9.518 -8.749 10.254 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.915 -10.378 10.028 1.00 0.00 H new ATOM 1044 N LYS A 64 -8.445 -8.329 7.587 1.00 0.00 N ATOM 1045 CA LYS A 64 -7.491 -7.849 6.636 1.00 0.00 C ATOM 1046 C LYS A 64 -7.835 -6.431 6.306 1.00 0.00 C ATOM 1047 O LYS A 64 -8.980 -6.023 6.495 1.00 0.00 O ATOM 1048 CB LYS A 64 -7.598 -8.662 5.349 1.00 0.00 C ATOM 1049 CG LYS A 64 -7.452 -10.161 5.499 1.00 0.00 C ATOM 1050 CD LYS A 64 -6.060 -10.565 5.913 1.00 0.00 C ATOM 1051 CE LYS A 64 -5.994 -12.044 6.231 1.00 0.00 C ATOM 1052 NZ LYS A 64 -6.726 -12.372 7.472 1.00 0.00 N ATOM 0 H LYS A 64 -9.415 -8.142 7.331 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.486 -7.932 7.050 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.565 -8.455 4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.835 -8.310 4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.167 -10.521 6.239 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.701 -10.644 4.554 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.357 -10.330 5.114 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.755 -9.988 6.786 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.413 -12.613 5.401 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.952 -12.348 6.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.429 -13.309 7.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.517 -11.657 8.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.748 -12.381 7.280 1.00 0.00 H new ATOM 1066 N TRP A 65 -6.876 -5.694 5.839 1.00 0.00 N ATOM 1067 CA TRP A 65 -7.090 -4.334 5.385 1.00 0.00 C ATOM 1068 C TRP A 65 -7.199 -4.291 3.901 1.00 0.00 C ATOM 1069 O TRP A 65 -6.824 -5.235 3.242 1.00 0.00 O ATOM 1070 CB TRP A 65 -5.985 -3.412 5.847 1.00 0.00 C ATOM 1071 CG TRP A 65 -6.124 -3.025 7.265 1.00 0.00 C ATOM 1072 CD1 TRP A 65 -7.192 -3.265 8.073 1.00 0.00 C ATOM 1073 CD2 TRP A 65 -5.190 -2.297 8.031 1.00 0.00 C ATOM 1074 NE1 TRP A 65 -6.981 -2.733 9.297 1.00 0.00 N ATOM 1075 CE2 TRP A 65 -5.743 -2.131 9.309 1.00 0.00 C ATOM 1076 CE3 TRP A 65 -3.931 -1.775 7.762 1.00 0.00 C ATOM 1077 CZ2 TRP A 65 -5.075 -1.452 10.319 1.00 0.00 C ATOM 1078 CZ3 TRP A 65 -3.268 -1.105 8.752 1.00 0.00 C ATOM 1079 CH2 TRP A 65 -3.835 -0.946 10.022 1.00 0.00 C ATOM 0 H TRP A 65 -5.910 -6.012 5.757 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.025 -3.987 5.824 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -5.023 -3.903 5.701 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -5.983 -2.515 5.228 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.081 -3.803 7.778 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.631 -2.771 10.082 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.483 -1.897 6.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -5.513 -1.327 11.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.291 -0.692 8.551 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -3.285 -0.414 10.784 1.00 0.00 H new ATOM 1090 N LEU A 66 -7.728 -3.231 3.377 1.00 0.00 N ATOM 1091 CA LEU A 66 -7.834 -3.104 1.954 1.00 0.00 C ATOM 1092 C LEU A 66 -6.708 -2.230 1.431 1.00 0.00 C ATOM 1093 O LEU A 66 -6.630 -1.022 1.740 1.00 0.00 O ATOM 1094 CB LEU A 66 -9.247 -2.607 1.539 1.00 0.00 C ATOM 1095 CG LEU A 66 -9.551 -2.405 0.025 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -9.000 -1.085 -0.494 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -8.988 -3.556 -0.805 1.00 0.00 C ATOM 0 H LEU A 66 -8.093 -2.441 3.910 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.720 -4.084 1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.976 -3.316 1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.425 -1.656 2.042 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.636 -2.386 -0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.234 -0.985 -1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.452 -0.260 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.919 -1.063 -0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.214 -3.390 -1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.908 -3.608 -0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.439 -4.493 -0.480 1.00 0.00 H new ATOM 1109 N GLY A 67 -5.852 -2.842 0.664 1.00 0.00 N ATOM 1110 CA GLY A 67 -4.741 -2.176 0.074 1.00 0.00 C ATOM 1111 C GLY A 67 -4.797 -2.277 -1.434 1.00 0.00 C ATOM 1112 O GLY A 67 -5.675 -2.937 -1.982 1.00 0.00 O ATOM 0 H GLY A 67 -5.913 -3.833 0.431 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.738 -1.128 0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.812 -2.614 0.439 1.00 0.00 H new ATOM 1116 N ARG A 68 -3.884 -1.631 -2.087 1.00 0.00 N ATOM 1117 CA ARG A 68 -3.760 -1.656 -3.528 1.00 0.00 C ATOM 1118 C ARG A 68 -2.309 -1.432 -3.896 1.00 0.00 C ATOM 1119 O ARG A 68 -1.645 -0.649 -3.251 1.00 0.00 O ATOM 1120 CB ARG A 68 -4.619 -0.570 -4.186 1.00 0.00 C ATOM 1121 CG ARG A 68 -4.185 0.862 -3.898 1.00 0.00 C ATOM 1122 CD ARG A 68 -5.059 1.839 -4.630 1.00 0.00 C ATOM 1123 NE ARG A 68 -4.616 3.210 -4.487 1.00 0.00 N ATOM 1124 CZ ARG A 68 -5.205 4.266 -5.039 1.00 0.00 C ATOM 1125 NH1 ARG A 68 -6.255 4.114 -5.857 1.00 0.00 N ATOM 1126 NH2 ARG A 68 -4.700 5.467 -4.814 1.00 0.00 N ATOM 0 H ARG A 68 -3.180 -1.053 -1.629 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.107 -2.625 -3.887 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.610 -0.726 -5.265 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.650 -0.694 -3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.235 1.054 -2.826 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.146 1.000 -4.198 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.080 1.578 -5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.081 1.752 -4.260 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.787 3.379 -3.918 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.611 3.180 -6.062 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.699 4.932 -6.275 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.873 5.571 -4.226 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.137 6.290 -5.228 1.00 0.00 H new ATOM 1140 N THR A 69 -1.824 -2.118 -4.890 1.00 0.00 N ATOM 1141 CA THR A 69 -0.475 -1.920 -5.360 1.00 0.00 C ATOM 1142 C THR A 69 -0.429 -0.719 -6.273 1.00 0.00 C ATOM 1143 O THR A 69 -1.477 -0.281 -6.785 1.00 0.00 O ATOM 1144 CB THR A 69 0.020 -3.148 -6.163 1.00 0.00 C ATOM 1145 OG1 THR A 69 -0.983 -3.557 -7.110 1.00 0.00 O ATOM 1146 CG2 THR A 69 0.393 -4.311 -5.272 1.00 0.00 C ATOM 0 H THR A 69 -2.347 -2.830 -5.400 1.00 0.00 H new ATOM 0 HA THR A 69 0.164 -1.773 -4.489 1.00 0.00 H new ATOM 0 HB THR A 69 0.923 -2.842 -6.691 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.680 -4.362 -7.580 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.733 -5.145 -5.886 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.192 -4.009 -4.595 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.477 -4.619 -4.692 1.00 0.00 H new ATOM 1154 N ALA A 70 0.765 -0.214 -6.524 1.00 0.00 N ATOM 1155 CA ALA A 70 0.968 0.860 -7.486 1.00 0.00 C ATOM 1156 C ALA A 70 0.772 0.310 -8.908 1.00 0.00 C ATOM 1157 O ALA A 70 0.745 1.038 -9.898 1.00 0.00 O ATOM 1158 CB ALA A 70 2.358 1.441 -7.327 1.00 0.00 C ATOM 0 H ALA A 70 1.620 -0.534 -6.070 1.00 0.00 H new ATOM 0 HA ALA A 70 0.242 1.654 -7.308 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.502 2.244 -8.050 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.474 1.837 -6.318 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.100 0.661 -7.498 1.00 0.00 H new ATOM 1164 N ARG A 71 0.643 -0.999 -8.969 1.00 0.00 N ATOM 1165 CA ARG A 71 0.391 -1.743 -10.178 1.00 0.00 C ATOM 1166 C ARG A 71 -1.116 -1.825 -10.449 1.00 0.00 C ATOM 1167 O ARG A 71 -1.547 -2.361 -11.467 1.00 0.00 O ATOM 1168 CB ARG A 71 1.023 -3.126 -10.038 1.00 0.00 C ATOM 1169 CG ARG A 71 2.538 -3.047 -9.932 1.00 0.00 C ATOM 1170 CD ARG A 71 3.156 -4.304 -9.353 1.00 0.00 C ATOM 1171 NE ARG A 71 2.909 -5.509 -10.133 1.00 0.00 N ATOM 1172 CZ ARG A 71 3.008 -6.751 -9.635 1.00 0.00 C ATOM 1173 NH1 ARG A 71 3.340 -6.930 -8.352 1.00 0.00 N ATOM 1174 NH2 ARG A 71 2.781 -7.805 -10.420 1.00 0.00 N ATOM 0 H ARG A 71 0.714 -1.594 -8.143 1.00 0.00 H new ATOM 0 HA ARG A 71 0.839 -1.239 -11.035 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.622 -3.621 -9.153 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.750 -3.739 -10.897 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.957 -2.865 -10.922 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.809 -2.195 -9.309 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.232 -4.157 -9.264 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.770 -4.453 -8.345 1.00 0.00 H new ATOM 0 HE ARG A 71 2.646 -5.403 -11.113 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.517 -6.123 -7.754 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.416 -7.873 -7.972 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.532 -7.667 -11.399 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.856 -8.749 -10.041 1.00 0.00 H new ATOM 1188 N GLY A 72 -1.911 -1.306 -9.514 1.00 0.00 N ATOM 1189 CA GLY A 72 -3.341 -1.205 -9.716 1.00 0.00 C ATOM 1190 C GLY A 72 -4.100 -2.458 -9.348 1.00 0.00 C ATOM 1191 O GLY A 72 -5.111 -2.770 -9.960 1.00 0.00 O ATOM 0 H GLY A 72 -1.583 -0.952 -8.615 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.724 -0.373 -9.125 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.535 -0.968 -10.762 1.00 0.00 H new ATOM 1195 N SER A 73 -3.621 -3.175 -8.366 1.00 0.00 N ATOM 1196 CA SER A 73 -4.275 -4.365 -7.912 1.00 0.00 C ATOM 1197 C SER A 73 -4.675 -4.150 -6.467 1.00 0.00 C ATOM 1198 O SER A 73 -3.846 -3.798 -5.646 1.00 0.00 O ATOM 1199 CB SER A 73 -3.310 -5.525 -8.040 1.00 0.00 C ATOM 1200 OG SER A 73 -2.721 -5.502 -9.329 1.00 0.00 O ATOM 0 H SER A 73 -2.765 -2.947 -7.860 1.00 0.00 H new ATOM 0 HA SER A 73 -5.163 -4.587 -8.503 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.538 -5.458 -7.273 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.834 -6.468 -7.883 1.00 0.00 H new ATOM 0 HG SER A 73 -2.094 -6.250 -9.416 1.00 0.00 H new ATOM 1206 N TYR A 74 -5.922 -4.309 -6.188 1.00 0.00 N ATOM 1207 CA TYR A 74 -6.466 -4.073 -4.854 1.00 0.00 C ATOM 1208 C TYR A 74 -6.670 -5.392 -4.152 1.00 0.00 C ATOM 1209 O TYR A 74 -7.088 -6.358 -4.778 1.00 0.00 O ATOM 1210 CB TYR A 74 -7.805 -3.326 -4.941 1.00 0.00 C ATOM 1211 CG TYR A 74 -7.739 -1.917 -5.514 1.00 0.00 C ATOM 1212 CD1 TYR A 74 -7.364 -1.672 -6.838 1.00 0.00 C ATOM 1213 CD2 TYR A 74 -8.078 -0.834 -4.730 1.00 0.00 C ATOM 1214 CE1 TYR A 74 -7.324 -0.387 -7.344 1.00 0.00 C ATOM 1215 CE2 TYR A 74 -8.045 0.449 -5.230 1.00 0.00 C ATOM 1216 CZ TYR A 74 -7.666 0.670 -6.531 1.00 0.00 C ATOM 1217 OH TYR A 74 -7.616 1.962 -7.011 1.00 0.00 O ATOM 0 H TYR A 74 -6.617 -4.609 -6.871 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.760 -3.461 -4.292 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.490 -3.915 -5.551 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.236 -3.272 -3.941 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.101 -2.502 -7.477 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.375 -0.995 -3.704 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.027 -0.213 -8.368 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.317 1.282 -4.598 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.461 2.418 -6.812 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.376 -5.454 -2.882 1.00 0.00 N ATOM 1228 CA GLY A 75 -6.532 -6.703 -2.187 1.00 0.00 C ATOM 1229 C GLY A 75 -6.499 -6.558 -0.701 1.00 0.00 C ATOM 1230 O GLY A 75 -6.064 -5.524 -0.184 1.00 0.00 O ATOM 0 H GLY A 75 -6.035 -4.675 -2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.478 -7.159 -2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.740 -7.385 -2.497 1.00 0.00 H new ATOM 1234 N TYR A 76 -6.979 -7.576 -0.010 1.00 0.00 N ATOM 1235 CA TYR A 76 -6.906 -7.615 1.425 1.00 0.00 C ATOM 1236 C TYR A 76 -5.472 -7.855 1.869 1.00 0.00 C ATOM 1237 O TYR A 76 -4.678 -8.473 1.157 1.00 0.00 O ATOM 1238 CB TYR A 76 -7.835 -8.670 2.032 1.00 0.00 C ATOM 1239 CG TYR A 76 -9.321 -8.327 2.033 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -9.790 -7.146 2.607 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -10.253 -9.211 1.518 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -11.144 -6.866 2.653 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -11.603 -8.935 1.552 1.00 0.00 C ATOM 1244 CZ TYR A 76 -12.046 -7.766 2.122 1.00 0.00 C ATOM 1245 OH TYR A 76 -13.400 -7.500 2.174 1.00 0.00 O ATOM 0 H TYR A 76 -7.426 -8.390 -0.432 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.244 -6.646 1.791 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.698 -9.604 1.487 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.523 -8.852 3.060 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.086 -6.440 3.022 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.915 -10.138 1.079 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.494 -5.948 3.102 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.310 -9.635 1.132 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.894 -8.235 1.755 1.00 0.00 H new ATOM 1255 N ILE A 77 -5.138 -7.334 2.997 1.00 0.00 N ATOM 1256 CA ILE A 77 -3.807 -7.422 3.512 1.00 0.00 C ATOM 1257 C ILE A 77 -3.824 -7.861 4.951 1.00 0.00 C ATOM 1258 O ILE A 77 -4.567 -7.294 5.759 1.00 0.00 O ATOM 1259 CB ILE A 77 -3.131 -6.023 3.486 1.00 0.00 C ATOM 1260 CG1 ILE A 77 -3.108 -5.442 2.093 1.00 0.00 C ATOM 1261 CG2 ILE A 77 -1.725 -6.131 3.990 1.00 0.00 C ATOM 1262 CD1 ILE A 77 -2.682 -4.016 2.035 1.00 0.00 C ATOM 0 H ILE A 77 -5.786 -6.827 3.600 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.265 -8.137 2.893 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.715 -5.362 4.127 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.436 -6.036 1.474 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.103 -5.531 1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.255 -5.148 3.970 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.733 -6.509 5.012 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.162 -6.815 3.355 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.692 -3.675 1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.368 -3.407 2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.674 -3.921 2.438 1.00 0.00 H new ATOM 1274 N LYS A 78 -3.046 -8.877 5.278 1.00 0.00 N ATOM 1275 CA LYS A 78 -2.790 -9.169 6.668 1.00 0.00 C ATOM 1276 C LYS A 78 -1.990 -7.997 7.177 1.00 0.00 C ATOM 1277 O LYS A 78 -1.041 -7.591 6.523 1.00 0.00 O ATOM 1278 CB LYS A 78 -1.906 -10.392 6.848 1.00 0.00 C ATOM 1279 CG LYS A 78 -2.437 -11.718 6.371 1.00 0.00 C ATOM 1280 CD LYS A 78 -1.402 -12.789 6.659 1.00 0.00 C ATOM 1281 CE LYS A 78 -1.873 -14.177 6.295 1.00 0.00 C ATOM 1282 NZ LYS A 78 -0.824 -15.173 6.581 1.00 0.00 N ATOM 0 H LYS A 78 -2.590 -9.500 4.611 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.735 -9.346 7.181 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.964 -10.203 6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.676 -10.486 7.909 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.374 -11.953 6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.651 -11.677 5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.490 -12.564 6.106 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.146 -12.764 7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.775 -14.420 6.857 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.137 -14.212 5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.166 -16.121 6.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.027 -14.950 6.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.592 -15.151 7.595 1.00 0.00 H new ATOM 1296 N THR A 79 -2.284 -7.507 8.328 1.00 0.00 N ATOM 1297 CA THR A 79 -1.608 -6.313 8.839 1.00 0.00 C ATOM 1298 C THR A 79 -0.122 -6.604 9.179 1.00 0.00 C ATOM 1299 O THR A 79 0.687 -5.704 9.432 1.00 0.00 O ATOM 1300 CB THR A 79 -2.357 -5.802 10.065 1.00 0.00 C ATOM 1301 OG1 THR A 79 -2.423 -6.859 11.043 1.00 0.00 O ATOM 1302 CG2 THR A 79 -3.763 -5.438 9.663 1.00 0.00 C ATOM 0 H THR A 79 -2.987 -7.898 8.955 1.00 0.00 H new ATOM 0 HA THR A 79 -1.613 -5.546 8.065 1.00 0.00 H new ATOM 0 HB THR A 79 -1.844 -4.933 10.477 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.901 -6.541 11.837 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.307 -5.071 10.534 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.733 -4.661 8.900 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.267 -6.319 9.265 1.00 0.00 H new ATOM 1310 N THR A 80 0.209 -7.867 9.127 1.00 0.00 N ATOM 1311 CA THR A 80 1.515 -8.365 9.399 1.00 0.00 C ATOM 1312 C THR A 80 2.276 -8.570 8.078 1.00 0.00 C ATOM 1313 O THR A 80 3.496 -8.650 8.056 1.00 0.00 O ATOM 1314 CB THR A 80 1.388 -9.698 10.179 1.00 0.00 C ATOM 1315 OG1 THR A 80 2.665 -10.286 10.470 1.00 0.00 O ATOM 1316 CG2 THR A 80 0.526 -10.682 9.412 1.00 0.00 C ATOM 0 H THR A 80 -0.457 -8.600 8.883 1.00 0.00 H new ATOM 0 HA THR A 80 2.074 -7.652 10.005 1.00 0.00 H new ATOM 0 HB THR A 80 0.912 -9.464 11.131 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.535 -11.123 10.963 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.448 -11.612 9.974 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.469 -10.260 9.269 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.979 -10.882 8.441 1.00 0.00 H new ATOM 1324 N ALA A 81 1.533 -8.588 6.974 1.00 0.00 N ATOM 1325 CA ALA A 81 2.115 -8.816 5.650 1.00 0.00 C ATOM 1326 C ALA A 81 2.704 -7.522 5.109 1.00 0.00 C ATOM 1327 O ALA A 81 3.428 -7.518 4.119 1.00 0.00 O ATOM 1328 CB ALA A 81 1.069 -9.399 4.663 1.00 0.00 C ATOM 0 H ALA A 81 0.523 -8.447 6.968 1.00 0.00 H new ATOM 0 HA ALA A 81 2.913 -9.551 5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.535 -9.556 3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.698 -10.350 5.045 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.238 -8.701 4.559 1.00 0.00 H new ATOM 1334 N VAL A 82 2.396 -6.418 5.771 1.00 0.00 N ATOM 1335 CA VAL A 82 2.887 -5.113 5.331 1.00 0.00 C ATOM 1336 C VAL A 82 3.449 -4.312 6.456 1.00 0.00 C ATOM 1337 O VAL A 82 3.177 -4.577 7.635 1.00 0.00 O ATOM 1338 CB VAL A 82 1.813 -4.254 4.598 1.00 0.00 C ATOM 1339 CG1 VAL A 82 1.351 -4.965 3.386 1.00 0.00 C ATOM 1340 CG2 VAL A 82 0.619 -3.966 5.476 1.00 0.00 C ATOM 0 H VAL A 82 1.814 -6.394 6.608 1.00 0.00 H new ATOM 0 HA VAL A 82 3.676 -5.352 4.618 1.00 0.00 H new ATOM 0 HB VAL A 82 2.280 -3.305 4.336 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.600 -4.363 2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.196 -5.134 2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.916 -5.923 3.670 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.103 -3.365 4.923 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.154 -4.905 5.777 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.942 -3.420 6.362 1.00 0.00 H new ATOM 1350 N GLU A 83 4.249 -3.362 6.095 1.00 0.00 N ATOM 1351 CA GLU A 83 4.784 -2.419 7.006 1.00 0.00 C ATOM 1352 C GLU A 83 3.903 -1.169 6.912 1.00 0.00 C ATOM 1353 O GLU A 83 3.914 -0.451 5.918 1.00 0.00 O ATOM 1354 CB GLU A 83 6.250 -2.111 6.648 1.00 0.00 C ATOM 1355 CG GLU A 83 7.128 -3.363 6.516 1.00 0.00 C ATOM 1356 CD GLU A 83 8.583 -3.059 6.210 1.00 0.00 C ATOM 1357 OE1 GLU A 83 8.945 -2.866 5.032 1.00 0.00 O ATOM 1358 OE2 GLU A 83 9.401 -3.020 7.158 1.00 0.00 O ATOM 0 H GLU A 83 4.553 -3.222 5.131 1.00 0.00 H new ATOM 0 HA GLU A 83 4.785 -2.800 8.027 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.277 -1.558 5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.673 -1.460 7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.073 -3.934 7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.725 -3.997 5.726 1.00 0.00 H new ATOM 1365 N ILE A 84 3.052 -1.012 7.864 1.00 0.00 N ATOM 1366 CA ILE A 84 2.156 0.125 7.923 1.00 0.00 C ATOM 1367 C ILE A 84 2.830 1.270 8.660 1.00 0.00 C ATOM 1368 O ILE A 84 3.235 1.120 9.821 1.00 0.00 O ATOM 1369 CB ILE A 84 0.823 -0.261 8.623 1.00 0.00 C ATOM 1370 CG1 ILE A 84 0.041 -1.266 7.778 1.00 0.00 C ATOM 1371 CG2 ILE A 84 -0.042 0.965 8.959 1.00 0.00 C ATOM 1372 CD1 ILE A 84 -0.462 -0.697 6.494 1.00 0.00 C ATOM 0 H ILE A 84 2.945 -1.667 8.639 1.00 0.00 H new ATOM 0 HA ILE A 84 1.924 0.443 6.906 1.00 0.00 H new ATOM 0 HB ILE A 84 1.085 -0.730 9.571 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.680 -2.122 7.562 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.804 -1.637 8.358 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.961 0.639 9.446 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.509 1.627 9.628 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.288 1.499 8.041 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.008 -1.464 5.945 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.127 0.141 6.703 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.380 -0.351 5.894 1.00 0.00 H new ATOM 1384 N ASP A 85 2.981 2.392 7.983 1.00 0.00 N ATOM 1385 CA ASP A 85 3.608 3.558 8.583 1.00 0.00 C ATOM 1386 C ASP A 85 2.704 4.750 8.524 1.00 0.00 C ATOM 1387 O ASP A 85 1.809 4.845 7.657 1.00 0.00 O ATOM 1388 CB ASP A 85 4.926 3.931 7.903 1.00 0.00 C ATOM 1389 CG ASP A 85 5.984 2.863 7.992 1.00 0.00 C ATOM 1390 OD1 ASP A 85 6.557 2.671 9.082 1.00 0.00 O ATOM 1391 OD2 ASP A 85 6.260 2.196 6.978 1.00 0.00 O ATOM 0 H ASP A 85 2.679 2.523 7.018 1.00 0.00 H new ATOM 0 HA ASP A 85 3.808 3.283 9.619 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.732 4.150 6.853 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.309 4.846 8.354 1.00 0.00 H new