USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 565 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 LYS NZ :NH3+ -135:sc= 0.845 (180deg=0.0185) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 168:sc=-0.00718 (180deg=-0.181) USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= -0.0173 (180deg=-0.243) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.09 K(o=-0.09,f=-0.63) USER MOD Single : A 29 HIS : no HE2:sc= -1.05! C(o=-1!,f=-4.5!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 130:sc= -0.0345 (180deg=-0.279) USER MOD Single : A 42 ASN : amide:sc= -0.197 K(o=-0.2,f=-5.3!) USER MOD Single : A 45 SER OG : rot -50:sc= 0.0233 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.407 X(o=-0.41,f=0) USER MOD Single : A 51 GLN : amide:sc= -0.041 K(o=-0.041,f=-0.63) USER MOD Single : A 58 THR OG1 : rot 25:sc= 0.802 USER MOD Single : A 64 LYS NZ :NH3+ -175:sc= -1.26! (180deg=-1.42!) USER MOD Single : A 69 THR OG1 : rot 170:sc= 0.224 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 70:sc= -0.0926 USER MOD Single : A 76 TYR OH : rot 180:sc= 0.962 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 -13.455 -4.136 -11.131 1.00 0.00 N ATOM 245 CA GLU A 14 -13.684 -5.467 -10.649 1.00 0.00 C ATOM 246 C GLU A 14 -13.510 -5.551 -9.134 1.00 0.00 C ATOM 247 O GLU A 14 -14.375 -6.106 -8.441 1.00 0.00 O ATOM 248 CB GLU A 14 -12.770 -6.443 -11.374 1.00 0.00 C ATOM 249 CG GLU A 14 -12.927 -7.887 -10.960 1.00 0.00 C ATOM 250 CD GLU A 14 -11.977 -8.776 -11.705 1.00 0.00 C ATOM 251 OE1 GLU A 14 -10.777 -8.777 -11.376 1.00 0.00 O ATOM 252 OE2 GLU A 14 -12.410 -9.483 -12.630 1.00 0.00 O ATOM 0 HA GLU A 14 -14.718 -5.741 -10.861 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.956 -6.365 -12.445 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.736 -6.142 -11.207 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.751 -7.981 -9.888 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.951 -8.211 -11.145 1.00 0.00 H new ATOM 259 N ILE A 15 -12.424 -4.976 -8.607 1.00 0.00 N ATOM 260 CA ILE A 15 -12.174 -5.014 -7.158 1.00 0.00 C ATOM 261 C ILE A 15 -13.223 -4.230 -6.405 1.00 0.00 C ATOM 262 O ILE A 15 -13.527 -4.523 -5.264 1.00 0.00 O ATOM 263 CB ILE A 15 -10.736 -4.532 -6.754 1.00 0.00 C ATOM 264 CG1 ILE A 15 -10.458 -3.077 -7.162 1.00 0.00 C ATOM 265 CG2 ILE A 15 -9.671 -5.448 -7.315 1.00 0.00 C ATOM 266 CD1 ILE A 15 -10.915 -2.031 -6.167 1.00 0.00 C ATOM 0 H ILE A 15 -11.713 -4.486 -9.150 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.238 -6.065 -6.875 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.698 -4.574 -5.665 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.386 -2.960 -7.322 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.946 -2.885 -8.117 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.687 -5.087 -7.017 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.819 -6.457 -6.930 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.739 -5.461 -8.403 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.674 -1.038 -6.546 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.992 -2.112 -6.022 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.408 -2.189 -5.215 1.00 0.00 H new ATOM 278 N LYS A 16 -13.801 -3.256 -7.070 1.00 0.00 N ATOM 279 CA LYS A 16 -14.799 -2.425 -6.462 1.00 0.00 C ATOM 280 C LYS A 16 -16.100 -3.152 -6.313 1.00 0.00 C ATOM 281 O LYS A 16 -16.892 -2.824 -5.458 1.00 0.00 O ATOM 282 CB LYS A 16 -14.938 -1.085 -7.174 1.00 0.00 C ATOM 283 CG LYS A 16 -13.860 -0.095 -6.768 1.00 0.00 C ATOM 284 CD LYS A 16 -14.041 1.257 -7.408 1.00 0.00 C ATOM 285 CE LYS A 16 -13.057 2.257 -6.820 1.00 0.00 C ATOM 286 NZ LYS A 16 -13.231 3.603 -7.384 1.00 0.00 N ATOM 0 H LYS A 16 -13.590 -3.023 -8.041 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.463 -2.189 -5.453 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.894 -1.244 -8.251 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.918 -0.661 -6.954 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.865 0.017 -5.684 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.884 -0.494 -7.042 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.891 1.180 -8.485 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -15.062 1.607 -7.252 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.186 2.298 -5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.039 1.915 -7.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.301 4.003 -7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.813 3.546 -8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.702 4.213 -6.686 1.00 0.00 H new ATOM 300 N LYS A 17 -16.283 -4.164 -7.113 1.00 0.00 N ATOM 301 CA LYS A 17 -17.441 -5.008 -7.002 1.00 0.00 C ATOM 302 C LYS A 17 -17.119 -6.145 -6.032 1.00 0.00 C ATOM 303 O LYS A 17 -17.929 -6.519 -5.182 1.00 0.00 O ATOM 304 CB LYS A 17 -17.797 -5.582 -8.376 1.00 0.00 C ATOM 305 CG LYS A 17 -19.046 -6.439 -8.392 1.00 0.00 C ATOM 306 CD LYS A 17 -20.276 -5.632 -8.044 1.00 0.00 C ATOM 307 CE LYS A 17 -21.516 -6.499 -8.029 1.00 0.00 C ATOM 308 NZ LYS A 17 -22.729 -5.702 -7.799 1.00 0.00 N ATOM 0 H LYS A 17 -15.638 -4.427 -7.858 1.00 0.00 H new ATOM 0 HA LYS A 17 -18.290 -4.432 -6.633 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -17.927 -4.758 -9.078 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -16.958 -6.177 -8.736 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -19.170 -6.885 -9.379 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -18.935 -7.259 -7.683 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -20.144 -5.166 -7.068 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -20.402 -4.826 -8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -21.602 -7.029 -8.978 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -21.423 -7.255 -7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -23.560 -6.328 -7.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -22.657 -5.216 -6.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -22.830 -4.997 -8.557 1.00 0.00 H new ATOM 322 N LYS A 18 -15.900 -6.634 -6.147 1.00 0.00 N ATOM 323 CA LYS A 18 -15.395 -7.761 -5.389 1.00 0.00 C ATOM 324 C LYS A 18 -15.304 -7.424 -3.902 1.00 0.00 C ATOM 325 O LYS A 18 -15.827 -8.140 -3.063 1.00 0.00 O ATOM 326 CB LYS A 18 -14.011 -8.145 -5.945 1.00 0.00 C ATOM 327 CG LYS A 18 -13.381 -9.390 -5.350 1.00 0.00 C ATOM 328 CD LYS A 18 -12.005 -9.632 -5.956 1.00 0.00 C ATOM 329 CE LYS A 18 -11.359 -10.916 -5.444 1.00 0.00 C ATOM 330 NZ LYS A 18 -12.149 -12.116 -5.791 1.00 0.00 N ATOM 0 H LYS A 18 -15.212 -6.245 -6.792 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.080 -8.603 -5.489 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.100 -8.285 -7.022 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.332 -7.307 -5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.295 -9.280 -4.269 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.022 -10.252 -5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.093 -9.681 -7.041 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.357 -8.786 -5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.357 -11.009 -5.864 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.247 -10.858 -4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.583 -12.969 -5.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.013 -12.142 -5.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.408 -12.082 -6.798 1.00 0.00 H new ATOM 344 N PHE A 19 -14.673 -6.313 -3.592 1.00 0.00 N ATOM 345 CA PHE A 19 -14.452 -5.916 -2.212 1.00 0.00 C ATOM 346 C PHE A 19 -15.484 -4.895 -1.770 1.00 0.00 C ATOM 347 O PHE A 19 -15.434 -4.412 -0.637 1.00 0.00 O ATOM 348 CB PHE A 19 -13.062 -5.292 -2.053 1.00 0.00 C ATOM 349 CG PHE A 19 -11.914 -6.162 -2.493 1.00 0.00 C ATOM 350 CD1 PHE A 19 -11.833 -7.485 -2.105 1.00 0.00 C ATOM 351 CD2 PHE A 19 -10.916 -5.647 -3.301 1.00 0.00 C ATOM 352 CE1 PHE A 19 -10.778 -8.275 -2.512 1.00 0.00 C ATOM 353 CE2 PHE A 19 -9.860 -6.431 -3.708 1.00 0.00 C ATOM 354 CZ PHE A 19 -9.791 -7.751 -3.310 1.00 0.00 C ATOM 0 H PHE A 19 -14.299 -5.661 -4.281 1.00 0.00 H new ATOM 0 HA PHE A 19 -14.535 -6.812 -1.596 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -13.031 -4.363 -2.622 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.917 -5.029 -1.005 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -12.604 -7.906 -1.476 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.966 -4.615 -3.617 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.728 -9.308 -2.202 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.087 -6.014 -4.337 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.964 -8.369 -3.625 1.00 0.00 H new ATOM 364 N LYS A 20 -16.422 -4.592 -2.662 1.00 0.00 N ATOM 365 CA LYS A 20 -17.414 -3.527 -2.473 1.00 0.00 C ATOM 366 C LYS A 20 -16.717 -2.232 -2.098 1.00 0.00 C ATOM 367 O LYS A 20 -16.639 -1.834 -0.924 1.00 0.00 O ATOM 368 CB LYS A 20 -18.547 -3.894 -1.496 1.00 0.00 C ATOM 369 CG LYS A 20 -19.610 -2.810 -1.374 1.00 0.00 C ATOM 370 CD LYS A 20 -20.751 -3.237 -0.486 1.00 0.00 C ATOM 371 CE LYS A 20 -21.777 -2.123 -0.332 1.00 0.00 C ATOM 372 NZ LYS A 20 -21.219 -0.936 0.352 1.00 0.00 N ATOM 0 H LYS A 20 -16.520 -5.083 -3.550 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.921 -3.387 -3.428 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -19.018 -4.820 -1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -18.121 -4.088 -0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -19.158 -1.903 -0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -19.993 -2.565 -2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -21.231 -4.121 -0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -20.366 -3.519 0.494 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -22.145 -1.833 -1.316 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -22.633 -2.495 0.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -21.995 -0.316 0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -20.668 -1.240 1.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.601 -0.416 -0.303 1.00 0.00 H new ATOM 386 N LEU A 21 -16.141 -1.634 -3.084 1.00 0.00 N ATOM 387 CA LEU A 21 -15.325 -0.474 -2.899 1.00 0.00 C ATOM 388 C LEU A 21 -15.797 0.641 -3.823 1.00 0.00 C ATOM 389 O LEU A 21 -15.067 1.600 -4.052 1.00 0.00 O ATOM 390 CB LEU A 21 -13.885 -0.839 -3.261 1.00 0.00 C ATOM 391 CG LEU A 21 -12.803 -0.082 -2.528 1.00 0.00 C ATOM 392 CD1 LEU A 21 -12.722 -0.592 -1.113 1.00 0.00 C ATOM 393 CD2 LEU A 21 -11.473 -0.222 -3.229 1.00 0.00 C ATOM 0 H LEU A 21 -16.222 -1.937 -4.055 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.390 -0.136 -1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.744 -1.904 -3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.750 -0.681 -4.331 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.051 0.979 -2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.943 -0.051 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.680 -0.439 -0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.485 -1.656 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.712 0.333 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.194 -1.275 -3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.552 0.175 -4.241 1.00 0.00 H new ATOM 405 N THR A 22 -17.010 0.500 -4.362 1.00 0.00 N ATOM 406 CA THR A 22 -17.542 1.468 -5.313 1.00 0.00 C ATOM 407 C THR A 22 -17.573 2.881 -4.695 1.00 0.00 C ATOM 408 O THR A 22 -18.025 3.076 -3.552 1.00 0.00 O ATOM 409 CB THR A 22 -18.948 1.038 -5.885 1.00 0.00 C ATOM 410 OG1 THR A 22 -19.397 1.957 -6.906 1.00 0.00 O ATOM 411 CG2 THR A 22 -20.007 0.938 -4.789 1.00 0.00 C ATOM 0 H THR A 22 -17.639 -0.276 -4.154 1.00 0.00 H new ATOM 0 HA THR A 22 -16.866 1.494 -6.168 1.00 0.00 H new ATOM 0 HB THR A 22 -18.816 0.049 -6.323 1.00 0.00 H new ATOM 0 HG1 THR A 22 -20.270 1.668 -7.246 1.00 0.00 H new ATOM 0 HG21 THR A 22 -20.959 0.639 -5.229 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.699 0.196 -4.052 1.00 0.00 H new ATOM 0 HG23 THR A 22 -20.120 1.907 -4.303 1.00 0.00 H new ATOM 419 N GLY A 23 -17.015 3.821 -5.413 1.00 0.00 N ATOM 420 CA GLY A 23 -16.916 5.172 -4.949 1.00 0.00 C ATOM 421 C GLY A 23 -15.473 5.608 -4.946 1.00 0.00 C ATOM 422 O GLY A 23 -14.581 4.767 -5.106 1.00 0.00 O ATOM 0 H GLY A 23 -16.616 3.666 -6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -17.503 5.830 -5.590 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.332 5.252 -3.945 1.00 0.00 H new ATOM 426 N PRO A 24 -15.191 6.893 -4.802 1.00 0.00 N ATOM 427 CA PRO A 24 -13.830 7.387 -4.764 1.00 0.00 C ATOM 428 C PRO A 24 -13.204 7.133 -3.398 1.00 0.00 C ATOM 429 O PRO A 24 -13.634 7.700 -2.382 1.00 0.00 O ATOM 430 CB PRO A 24 -13.967 8.898 -5.025 1.00 0.00 C ATOM 431 CG PRO A 24 -15.430 9.151 -5.233 1.00 0.00 C ATOM 432 CD PRO A 24 -16.162 7.976 -4.661 1.00 0.00 C ATOM 0 HA PRO A 24 -13.187 6.894 -5.493 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.587 9.475 -4.182 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.391 9.196 -5.901 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.736 10.074 -4.740 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.655 9.267 -6.293 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -16.438 8.139 -3.619 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -17.083 7.768 -5.206 1.00 0.00 H new ATOM 440 N ILE A 25 -12.242 6.259 -3.357 1.00 0.00 N ATOM 441 CA ILE A 25 -11.590 5.915 -2.122 1.00 0.00 C ATOM 442 C ILE A 25 -10.267 6.659 -1.934 1.00 0.00 C ATOM 443 O ILE A 25 -9.552 6.932 -2.905 1.00 0.00 O ATOM 444 CB ILE A 25 -11.446 4.363 -1.931 1.00 0.00 C ATOM 445 CG1 ILE A 25 -10.922 3.627 -3.198 1.00 0.00 C ATOM 446 CG2 ILE A 25 -12.765 3.762 -1.487 1.00 0.00 C ATOM 447 CD1 ILE A 25 -9.474 3.886 -3.561 1.00 0.00 C ATOM 0 H ILE A 25 -11.886 5.764 -4.175 1.00 0.00 H new ATOM 0 HA ILE A 25 -12.246 6.257 -1.322 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.693 4.220 -1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.054 2.555 -3.053 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.546 3.913 -4.045 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.650 2.686 -1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.069 4.210 -0.541 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -13.527 3.958 -2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.218 3.323 -4.458 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.330 4.950 -3.747 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.831 3.571 -2.739 1.00 0.00 H new ATOM 459 N GLN A 26 -9.983 7.042 -0.714 1.00 0.00 N ATOM 460 CA GLN A 26 -8.749 7.738 -0.398 1.00 0.00 C ATOM 461 C GLN A 26 -7.901 6.899 0.537 1.00 0.00 C ATOM 462 O GLN A 26 -8.432 6.224 1.416 1.00 0.00 O ATOM 463 CB GLN A 26 -9.033 9.113 0.229 1.00 0.00 C ATOM 464 CG GLN A 26 -9.884 10.029 -0.644 1.00 0.00 C ATOM 465 CD GLN A 26 -9.291 10.257 -2.029 1.00 0.00 C ATOM 466 OE1 GLN A 26 -8.070 10.244 -2.216 1.00 0.00 O ATOM 467 NE2 GLN A 26 -10.140 10.455 -3.001 1.00 0.00 N ATOM 0 H GLN A 26 -10.593 6.884 0.088 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.202 7.898 -1.327 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.537 8.968 1.185 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.085 9.607 0.440 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.880 9.599 -0.748 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.003 10.990 -0.144 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.142 10.459 -2.810 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.801 10.605 -3.951 1.00 0.00 H new ATOM 476 N VAL A 27 -6.605 6.935 0.343 1.00 0.00 N ATOM 477 CA VAL A 27 -5.676 6.144 1.138 1.00 0.00 C ATOM 478 C VAL A 27 -5.569 6.682 2.577 1.00 0.00 C ATOM 479 O VAL A 27 -5.670 7.896 2.814 1.00 0.00 O ATOM 480 CB VAL A 27 -4.266 6.091 0.473 1.00 0.00 C ATOM 481 CG1 VAL A 27 -3.628 7.451 0.402 1.00 0.00 C ATOM 482 CG2 VAL A 27 -3.357 5.148 1.198 1.00 0.00 C ATOM 0 H VAL A 27 -6.157 7.512 -0.369 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.072 5.130 1.183 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.416 5.728 -0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.648 7.369 -0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.258 8.118 -0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.515 7.853 1.409 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.383 5.134 0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.241 5.477 2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.785 4.146 1.182 1.00 0.00 H new ATOM 492 N ILE A 28 -5.407 5.781 3.526 1.00 0.00 N ATOM 493 CA ILE A 28 -5.273 6.157 4.916 1.00 0.00 C ATOM 494 C ILE A 28 -3.800 6.053 5.372 1.00 0.00 C ATOM 495 O ILE A 28 -3.326 6.850 6.170 1.00 0.00 O ATOM 496 CB ILE A 28 -6.211 5.296 5.833 1.00 0.00 C ATOM 497 CG1 ILE A 28 -7.673 5.437 5.379 1.00 0.00 C ATOM 498 CG2 ILE A 28 -6.092 5.696 7.303 1.00 0.00 C ATOM 499 CD1 ILE A 28 -8.207 6.861 5.395 1.00 0.00 C ATOM 0 H ILE A 28 -5.365 4.776 3.356 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.585 7.197 5.013 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.894 4.257 5.738 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.766 5.040 4.368 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.301 4.820 6.023 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.757 5.076 7.904 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.064 5.554 7.637 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.369 6.744 7.419 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.244 6.864 5.060 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.152 7.259 6.408 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.608 7.482 4.728 1.00 0.00 H new ATOM 511 N HIS A 29 -3.076 5.071 4.872 1.00 0.00 N ATOM 512 CA HIS A 29 -1.652 4.920 5.227 1.00 0.00 C ATOM 513 C HIS A 29 -0.891 4.334 4.062 1.00 0.00 C ATOM 514 O HIS A 29 -1.458 3.601 3.246 1.00 0.00 O ATOM 515 CB HIS A 29 -1.425 3.978 6.436 1.00 0.00 C ATOM 516 CG HIS A 29 -1.951 4.410 7.775 1.00 0.00 C ATOM 517 ND1 HIS A 29 -1.164 4.994 8.729 1.00 0.00 N ATOM 518 CD2 HIS A 29 -3.176 4.293 8.327 1.00 0.00 C ATOM 519 CE1 HIS A 29 -1.889 5.224 9.808 1.00 0.00 C ATOM 520 NE2 HIS A 29 -3.109 4.808 9.586 1.00 0.00 N ATOM 0 H HIS A 29 -3.431 4.367 4.226 1.00 0.00 H new ATOM 0 HA HIS A 29 -1.300 5.919 5.486 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -1.873 3.014 6.197 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.352 3.815 6.536 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -0.174 5.216 8.624 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -4.050 3.868 7.856 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.534 5.679 10.721 1.00 0.00 H new ATOM 529 N LEU A 30 0.368 4.634 3.983 1.00 0.00 N ATOM 530 CA LEU A 30 1.212 4.039 2.984 1.00 0.00 C ATOM 531 C LEU A 30 1.852 2.791 3.564 1.00 0.00 C ATOM 532 O LEU A 30 2.542 2.848 4.594 1.00 0.00 O ATOM 533 CB LEU A 30 2.305 5.006 2.461 1.00 0.00 C ATOM 534 CG LEU A 30 1.870 6.177 1.546 1.00 0.00 C ATOM 535 CD1 LEU A 30 1.003 7.196 2.270 1.00 0.00 C ATOM 536 CD2 LEU A 30 3.089 6.851 0.944 1.00 0.00 C ATOM 0 H LEU A 30 0.841 5.293 4.602 1.00 0.00 H new ATOM 0 HA LEU A 30 0.587 3.789 2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.815 5.431 3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.041 4.414 1.917 1.00 0.00 H new ATOM 0 HG LEU A 30 1.259 5.752 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.727 7.994 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.101 6.709 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.559 7.616 3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.771 7.673 0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.722 7.238 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.651 6.127 0.354 1.00 0.00 H new ATOM 548 N ALA A 31 1.582 1.680 2.946 1.00 0.00 N ATOM 549 CA ALA A 31 2.138 0.405 3.332 1.00 0.00 C ATOM 550 C ALA A 31 3.251 0.020 2.364 1.00 0.00 C ATOM 551 O ALA A 31 3.568 0.752 1.420 1.00 0.00 O ATOM 552 CB ALA A 31 1.030 -0.637 3.291 1.00 0.00 C ATOM 0 H ALA A 31 0.957 1.627 2.142 1.00 0.00 H new ATOM 0 HA ALA A 31 2.553 0.464 4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.433 -1.608 3.580 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.237 -0.352 3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.625 -0.698 2.281 1.00 0.00 H new ATOM 558 N LYS A 32 3.897 -1.040 2.650 1.00 0.00 N ATOM 559 CA LYS A 32 4.832 -1.635 1.814 1.00 0.00 C ATOM 560 C LYS A 32 4.818 -3.059 2.193 1.00 0.00 C ATOM 561 O LYS A 32 5.077 -3.403 3.350 1.00 0.00 O ATOM 562 CB LYS A 32 6.245 -0.987 1.808 1.00 0.00 C ATOM 563 CG LYS A 32 7.026 -0.977 3.111 1.00 0.00 C ATOM 564 CD LYS A 32 8.423 -0.388 2.882 1.00 0.00 C ATOM 565 CE LYS A 32 9.203 -1.207 1.850 1.00 0.00 C ATOM 566 NZ LYS A 32 10.528 -0.640 1.541 1.00 0.00 N ATOM 0 H LYS A 32 3.772 -1.539 3.531 1.00 0.00 H new ATOM 0 HA LYS A 32 4.556 -1.487 0.770 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.847 -1.504 1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.139 0.045 1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.493 -0.390 3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.110 -1.991 3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.335 0.644 2.541 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.971 -0.367 3.824 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.328 -2.224 2.222 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.620 -1.273 0.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.006 -1.238 0.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.414 0.320 1.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.100 -0.602 2.409 1.00 0.00 H new ATOM 580 N ALA A 33 4.368 -3.839 1.317 1.00 0.00 N ATOM 581 CA ALA A 33 4.264 -5.245 1.540 1.00 0.00 C ATOM 582 C ALA A 33 5.627 -5.833 1.661 1.00 0.00 C ATOM 583 O ALA A 33 6.539 -5.445 0.933 1.00 0.00 O ATOM 584 CB ALA A 33 3.466 -5.908 0.441 1.00 0.00 C ATOM 0 H ALA A 33 4.048 -3.536 0.397 1.00 0.00 H new ATOM 0 HA ALA A 33 3.729 -5.421 2.473 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.401 -6.979 0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.463 -5.483 0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.958 -5.741 -0.517 1.00 0.00 H new ATOM 590 N CYS A 34 5.786 -6.700 2.595 1.00 0.00 N ATOM 591 CA CYS A 34 7.036 -7.331 2.812 1.00 0.00 C ATOM 592 C CYS A 34 6.863 -8.764 2.831 1.00 0.00 C ATOM 593 O CYS A 34 5.771 -9.272 3.134 1.00 0.00 O ATOM 594 CB CYS A 34 7.673 -6.967 4.166 1.00 0.00 C ATOM 595 SG CYS A 34 9.241 -7.940 4.549 1.00 0.00 S ATOM 0 H CYS A 34 5.047 -6.993 3.234 1.00 0.00 H new ATOM 0 HA CYS A 34 7.681 -6.990 2.002 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.905 -5.902 4.174 1.00 0.00 H new ATOM 0 HB3 CYS A 34 6.945 -7.140 4.959 1.00 0.00 H new ATOM 600 N CYS A 35 7.939 -9.417 2.494 1.00 0.00 N ATOM 601 CA CYS A 35 8.129 -10.778 2.760 1.00 0.00 C ATOM 602 C CYS A 35 7.216 -11.660 1.865 1.00 0.00 C ATOM 603 O CYS A 35 6.441 -11.154 1.030 1.00 0.00 O ATOM 604 CB CYS A 35 7.884 -10.985 4.289 1.00 0.00 C ATOM 605 SG CYS A 35 8.687 -9.733 5.504 1.00 0.00 S ATOM 0 H CYS A 35 8.725 -8.982 2.010 1.00 0.00 H new ATOM 0 HA CYS A 35 9.144 -11.092 2.515 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.808 -10.974 4.460 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.238 -11.982 4.553 1.00 0.00 H new ATOM 610 N ASP A 36 7.384 -12.940 1.962 1.00 0.00 N ATOM 611 CA ASP A 36 6.549 -13.881 1.227 1.00 0.00 C ATOM 612 C ASP A 36 5.217 -14.046 1.936 1.00 0.00 C ATOM 613 O ASP A 36 5.150 -14.605 3.041 1.00 0.00 O ATOM 614 CB ASP A 36 7.238 -15.229 1.096 1.00 0.00 C ATOM 615 CG ASP A 36 6.545 -16.124 0.110 1.00 0.00 C ATOM 616 OD1 ASP A 36 6.808 -15.986 -1.105 1.00 0.00 O ATOM 617 OD2 ASP A 36 5.740 -16.980 0.512 1.00 0.00 O ATOM 0 H ASP A 36 8.097 -13.377 2.546 1.00 0.00 H new ATOM 0 HA ASP A 36 6.380 -13.485 0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.272 -15.079 0.784 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.267 -15.717 2.070 1.00 0.00 H new ATOM 622 N VAL A 37 4.179 -13.544 1.336 1.00 0.00 N ATOM 623 CA VAL A 37 2.866 -13.545 1.943 1.00 0.00 C ATOM 624 C VAL A 37 1.941 -14.528 1.266 1.00 0.00 C ATOM 625 O VAL A 37 2.166 -14.917 0.113 1.00 0.00 O ATOM 626 CB VAL A 37 2.211 -12.153 1.910 1.00 0.00 C ATOM 627 CG1 VAL A 37 3.129 -11.113 2.521 1.00 0.00 C ATOM 628 CG2 VAL A 37 1.805 -11.771 0.498 1.00 0.00 C ATOM 0 H VAL A 37 4.211 -13.119 0.409 1.00 0.00 H new ATOM 0 HA VAL A 37 3.018 -13.842 2.981 1.00 0.00 H new ATOM 0 HB VAL A 37 1.303 -12.192 2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.646 -10.136 2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.340 -11.378 3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.062 -11.076 1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.345 -10.783 0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.687 -11.755 -0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.091 -12.500 0.115 1.00 0.00 H new ATOM 638 N LYS A 38 0.946 -14.976 2.007 1.00 0.00 N ATOM 639 CA LYS A 38 -0.083 -15.849 1.487 1.00 0.00 C ATOM 640 C LYS A 38 -0.793 -15.234 0.283 1.00 0.00 C ATOM 641 O LYS A 38 -0.946 -15.907 -0.734 1.00 0.00 O ATOM 642 CB LYS A 38 -1.073 -16.263 2.584 1.00 0.00 C ATOM 643 CG LYS A 38 -1.785 -15.112 3.271 1.00 0.00 C ATOM 644 CD LYS A 38 -2.719 -15.599 4.361 1.00 0.00 C ATOM 645 CE LYS A 38 -3.745 -16.586 3.827 1.00 0.00 C ATOM 646 NZ LYS A 38 -4.736 -16.935 4.852 1.00 0.00 N ATOM 0 H LYS A 38 0.830 -14.742 2.993 1.00 0.00 H new ATOM 0 HA LYS A 38 0.408 -16.756 1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.821 -16.925 2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.537 -16.841 3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.048 -14.433 3.700 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.352 -14.543 2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.138 -16.072 5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.232 -14.747 4.807 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.250 -16.156 2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.240 -17.489 3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.422 -17.610 4.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.255 -17.367 5.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.234 -16.076 5.160 1.00 0.00 H new ATOM 660 N GLY A 39 -1.181 -13.949 0.384 1.00 0.00 N ATOM 661 CA GLY A 39 -1.812 -13.268 -0.760 1.00 0.00 C ATOM 662 C GLY A 39 -3.049 -13.981 -1.294 1.00 0.00 C ATOM 663 O GLY A 39 -3.177 -14.171 -2.514 1.00 0.00 O ATOM 0 H GLY A 39 -1.073 -13.376 1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.087 -12.256 -0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.082 -13.176 -1.564 1.00 0.00 H new ATOM 667 N GLY A 40 -3.890 -14.446 -0.383 1.00 0.00 N ATOM 668 CA GLY A 40 -5.087 -15.229 -0.714 1.00 0.00 C ATOM 669 C GLY A 40 -6.070 -14.563 -1.696 1.00 0.00 C ATOM 670 O GLY A 40 -5.861 -13.448 -2.149 1.00 0.00 O ATOM 0 H GLY A 40 -3.766 -14.293 0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.770 -16.182 -1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.620 -15.452 0.210 1.00 0.00 H new ATOM 674 N LYS A 41 -7.165 -15.265 -1.974 1.00 0.00 N ATOM 675 CA LYS A 41 -8.188 -14.865 -2.970 1.00 0.00 C ATOM 676 C LYS A 41 -8.754 -13.442 -2.769 1.00 0.00 C ATOM 677 O LYS A 41 -9.159 -12.788 -3.730 1.00 0.00 O ATOM 678 CB LYS A 41 -9.354 -15.891 -3.033 1.00 0.00 C ATOM 679 CG LYS A 41 -10.365 -15.874 -1.865 1.00 0.00 C ATOM 680 CD LYS A 41 -9.766 -16.245 -0.513 1.00 0.00 C ATOM 681 CE LYS A 41 -10.838 -16.249 0.570 1.00 0.00 C ATOM 682 NZ LYS A 41 -11.877 -17.278 0.318 1.00 0.00 N ATOM 0 H LYS A 41 -7.382 -16.147 -1.511 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.655 -14.854 -3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.903 -15.723 -3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.923 -16.890 -3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.804 -14.879 -1.794 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.177 -16.565 -2.092 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.300 -17.229 -0.574 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.981 -15.536 -0.251 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.374 -16.432 1.539 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.306 -15.266 0.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.021 -17.844 1.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.770 -16.813 0.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.570 -17.899 -0.458 1.00 0.00 H new ATOM 696 N ASN A 42 -8.791 -12.978 -1.545 1.00 0.00 N ATOM 697 CA ASN A 42 -9.311 -11.646 -1.258 1.00 0.00 C ATOM 698 C ASN A 42 -8.175 -10.712 -0.918 1.00 0.00 C ATOM 699 O ASN A 42 -8.356 -9.510 -0.795 1.00 0.00 O ATOM 700 CB ASN A 42 -10.341 -11.664 -0.107 1.00 0.00 C ATOM 701 CG ASN A 42 -9.768 -12.119 1.239 1.00 0.00 C ATOM 702 OD1 ASN A 42 -8.822 -12.909 1.299 1.00 0.00 O ATOM 703 ND2 ASN A 42 -10.365 -11.678 2.319 1.00 0.00 N ATOM 0 H ASN A 42 -8.470 -13.495 -0.726 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.823 -11.292 -2.153 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.759 -10.664 0.008 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.164 -12.324 -0.381 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.050 -11.987 3.238 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.145 -11.025 2.240 1.00 0.00 H new ATOM 710 N GLU A 43 -7.007 -11.265 -0.820 1.00 0.00 N ATOM 711 CA GLU A 43 -5.846 -10.531 -0.448 1.00 0.00 C ATOM 712 C GLU A 43 -5.104 -10.099 -1.688 1.00 0.00 C ATOM 713 O GLU A 43 -5.376 -10.590 -2.788 1.00 0.00 O ATOM 714 CB GLU A 43 -4.957 -11.364 0.484 1.00 0.00 C ATOM 715 CG GLU A 43 -5.636 -11.712 1.800 1.00 0.00 C ATOM 716 CD GLU A 43 -4.804 -12.595 2.693 1.00 0.00 C ATOM 717 OE1 GLU A 43 -4.753 -13.813 2.447 1.00 0.00 O ATOM 718 OE2 GLU A 43 -4.229 -12.100 3.686 1.00 0.00 O ATOM 0 H GLU A 43 -6.834 -12.254 -1.000 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.142 -9.638 0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.669 -12.284 -0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.039 -10.813 0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.872 -10.791 2.332 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.582 -12.210 1.590 1.00 0.00 H new ATOM 725 N LEU A 44 -4.217 -9.174 -1.536 1.00 0.00 N ATOM 726 CA LEU A 44 -3.469 -8.671 -2.645 1.00 0.00 C ATOM 727 C LEU A 44 -2.370 -9.640 -2.979 1.00 0.00 C ATOM 728 O LEU A 44 -1.695 -10.174 -2.096 1.00 0.00 O ATOM 729 CB LEU A 44 -2.861 -7.323 -2.305 1.00 0.00 C ATOM 730 CG LEU A 44 -3.035 -6.179 -3.307 1.00 0.00 C ATOM 731 CD1 LEU A 44 -2.525 -4.881 -2.699 1.00 0.00 C ATOM 732 CD2 LEU A 44 -2.308 -6.469 -4.604 1.00 0.00 C ATOM 0 H LEU A 44 -3.988 -8.743 -0.640 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.137 -8.552 -3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.281 -6.999 -1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.792 -7.469 -2.149 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.097 -6.081 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.651 -4.069 -3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.090 -4.657 -1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.469 -4.986 -2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.451 -5.638 -5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.244 -6.596 -4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.705 -7.382 -5.048 1.00 0.00 H new ATOM 744 N SER A 45 -2.167 -9.809 -4.231 1.00 0.00 N ATOM 745 CA SER A 45 -1.152 -10.685 -4.768 1.00 0.00 C ATOM 746 C SER A 45 0.151 -9.868 -4.887 1.00 0.00 C ATOM 747 O SER A 45 0.890 -9.960 -5.872 1.00 0.00 O ATOM 748 CB SER A 45 -1.637 -11.187 -6.148 1.00 0.00 C ATOM 749 OG SER A 45 -0.837 -12.248 -6.687 1.00 0.00 O ATOM 0 H SER A 45 -2.713 -9.333 -4.949 1.00 0.00 H new ATOM 0 HA SER A 45 -0.969 -11.550 -4.131 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.668 -11.530 -6.059 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.638 -10.352 -6.849 1.00 0.00 H new ATOM 0 HG SER A 45 0.109 -11.993 -6.656 1.00 0.00 H new ATOM 755 N PHE A 46 0.435 -9.103 -3.847 1.00 0.00 N ATOM 756 CA PHE A 46 1.586 -8.248 -3.800 1.00 0.00 C ATOM 757 C PHE A 46 2.830 -9.021 -3.448 1.00 0.00 C ATOM 758 O PHE A 46 2.791 -10.243 -3.211 1.00 0.00 O ATOM 759 CB PHE A 46 1.385 -7.063 -2.832 1.00 0.00 C ATOM 760 CG PHE A 46 0.957 -7.422 -1.420 1.00 0.00 C ATOM 761 CD1 PHE A 46 1.630 -8.360 -0.667 1.00 0.00 C ATOM 762 CD2 PHE A 46 -0.102 -6.786 -0.848 1.00 0.00 C ATOM 763 CE1 PHE A 46 1.242 -8.643 0.617 1.00 0.00 C ATOM 764 CE2 PHE A 46 -0.495 -7.075 0.432 1.00 0.00 C ATOM 765 CZ PHE A 46 0.179 -8.004 1.163 1.00 0.00 C ATOM 0 H PHE A 46 -0.141 -9.065 -3.006 1.00 0.00 H new ATOM 0 HA PHE A 46 1.715 -7.836 -4.801 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.318 -6.503 -2.776 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.637 -6.394 -3.258 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.475 -8.879 -1.095 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.642 -6.041 -1.413 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.785 -9.377 1.195 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.343 -6.564 0.863 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.131 -8.231 2.172 1.00 0.00 H new ATOM 775 N LYS A 47 3.904 -8.318 -3.366 1.00 0.00 N ATOM 776 CA LYS A 47 5.159 -8.902 -3.126 1.00 0.00 C ATOM 777 C LYS A 47 5.905 -8.207 -2.008 1.00 0.00 C ATOM 778 O LYS A 47 5.489 -7.184 -1.499 1.00 0.00 O ATOM 779 CB LYS A 47 5.977 -8.935 -4.416 1.00 0.00 C ATOM 780 CG LYS A 47 5.432 -9.907 -5.450 1.00 0.00 C ATOM 781 CD LYS A 47 6.210 -9.835 -6.749 1.00 0.00 C ATOM 782 CE LYS A 47 7.688 -10.109 -6.540 1.00 0.00 C ATOM 783 NZ LYS A 47 8.443 -10.048 -7.801 1.00 0.00 N ATOM 0 H LYS A 47 3.927 -7.303 -3.467 1.00 0.00 H new ATOM 0 HA LYS A 47 4.997 -9.927 -2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.003 -7.934 -4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.006 -9.207 -4.179 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.476 -10.922 -5.055 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.382 -9.685 -5.641 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.803 -10.558 -7.456 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.083 -8.848 -7.194 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.096 -9.382 -5.838 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.814 -11.093 -6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.448 -10.241 -7.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.071 -10.759 -8.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.344 -9.101 -8.219 1.00 0.00 H new ATOM 797 N GLN A 48 7.041 -8.738 -1.758 1.00 0.00 N ATOM 798 CA GLN A 48 7.962 -8.436 -0.656 1.00 0.00 C ATOM 799 C GLN A 48 8.555 -7.016 -0.699 1.00 0.00 C ATOM 800 O GLN A 48 9.098 -6.515 0.292 1.00 0.00 O ATOM 801 CB GLN A 48 9.079 -9.533 -0.627 1.00 0.00 C ATOM 802 CG GLN A 48 10.364 -9.104 0.056 1.00 0.00 C ATOM 803 CD GLN A 48 11.364 -10.219 0.281 1.00 0.00 C ATOM 804 OE1 GLN A 48 12.121 -10.193 1.248 1.00 0.00 O ATOM 805 NE2 GLN A 48 11.397 -11.184 -0.592 1.00 0.00 N ATOM 0 H GLN A 48 7.414 -9.471 -2.361 1.00 0.00 H new ATOM 0 HA GLN A 48 7.388 -8.456 0.270 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.690 -10.416 -0.120 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.308 -9.828 -1.651 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.836 -8.326 -0.544 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.116 -8.657 1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 48 10.755 -11.177 -1.385 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.065 -11.947 -0.484 1.00 0.00 H new ATOM 814 N GLY A 49 8.389 -6.380 -1.781 1.00 0.00 N ATOM 815 CA GLY A 49 8.981 -5.079 -1.986 1.00 0.00 C ATOM 816 C GLY A 49 8.012 -4.151 -2.642 1.00 0.00 C ATOM 817 O GLY A 49 8.389 -3.121 -3.219 1.00 0.00 O ATOM 0 H GLY A 49 7.841 -6.725 -2.569 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.298 -4.664 -1.029 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.874 -5.174 -2.603 1.00 0.00 H new ATOM 821 N GLU A 50 6.767 -4.517 -2.559 1.00 0.00 N ATOM 822 CA GLU A 50 5.706 -3.803 -3.196 1.00 0.00 C ATOM 823 C GLU A 50 5.192 -2.644 -2.356 1.00 0.00 C ATOM 824 O GLU A 50 4.797 -2.806 -1.200 1.00 0.00 O ATOM 825 CB GLU A 50 4.602 -4.773 -3.574 1.00 0.00 C ATOM 826 CG GLU A 50 4.901 -5.559 -4.837 1.00 0.00 C ATOM 827 CD GLU A 50 5.039 -4.678 -6.055 1.00 0.00 C ATOM 828 OE1 GLU A 50 6.144 -4.153 -6.315 1.00 0.00 O ATOM 829 OE2 GLU A 50 4.046 -4.495 -6.783 1.00 0.00 O ATOM 0 H GLU A 50 6.457 -5.336 -2.036 1.00 0.00 H new ATOM 0 HA GLU A 50 6.098 -3.346 -4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.441 -5.469 -2.751 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.673 -4.220 -3.710 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.822 -6.125 -4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.104 -6.283 -5.006 1.00 0.00 H new ATOM 836 N GLN A 51 5.157 -1.497 -2.970 1.00 0.00 N ATOM 837 CA GLN A 51 4.760 -0.290 -2.340 1.00 0.00 C ATOM 838 C GLN A 51 3.307 -0.137 -2.639 1.00 0.00 C ATOM 839 O GLN A 51 2.887 0.263 -3.726 1.00 0.00 O ATOM 840 CB GLN A 51 5.564 0.904 -2.906 1.00 0.00 C ATOM 841 CG GLN A 51 5.502 2.229 -2.108 1.00 0.00 C ATOM 842 CD GLN A 51 4.107 2.825 -1.934 1.00 0.00 C ATOM 843 OE1 GLN A 51 3.630 3.582 -2.777 1.00 0.00 O ATOM 844 NE2 GLN A 51 3.467 2.530 -0.831 1.00 0.00 N ATOM 0 H GLN A 51 5.413 -1.382 -3.951 1.00 0.00 H new ATOM 0 HA GLN A 51 4.945 -0.315 -1.266 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.609 0.603 -2.984 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.212 1.101 -3.919 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.932 2.059 -1.121 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.133 2.964 -2.608 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.889 1.898 -0.150 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.547 2.932 -0.652 1.00 0.00 H new ATOM 853 N ILE A 52 2.582 -0.544 -1.711 1.00 0.00 N ATOM 854 CA ILE A 52 1.146 -0.472 -1.740 1.00 0.00 C ATOM 855 C ILE A 52 0.598 0.565 -0.753 1.00 0.00 C ATOM 856 O ILE A 52 1.243 0.925 0.196 1.00 0.00 O ATOM 857 CB ILE A 52 0.560 -1.834 -1.395 1.00 0.00 C ATOM 858 CG1 ILE A 52 0.939 -2.218 0.005 1.00 0.00 C ATOM 859 CG2 ILE A 52 1.071 -2.877 -2.357 1.00 0.00 C ATOM 860 CD1 ILE A 52 0.408 -3.530 0.380 1.00 0.00 C ATOM 0 H ILE A 52 2.953 -0.961 -0.857 1.00 0.00 H new ATOM 0 HA ILE A 52 0.857 -0.169 -2.746 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.526 -1.775 -1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.025 -2.228 0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.567 -1.465 0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.646 -3.847 -2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.779 -2.609 -3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.158 -2.929 -2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.708 -3.766 1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.680 -3.514 0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.800 -4.288 -0.297 1.00 0.00 H new ATOM 872 N GLU A 53 -0.571 1.037 -0.980 1.00 0.00 N ATOM 873 CA GLU A 53 -1.176 1.976 -0.053 1.00 0.00 C ATOM 874 C GLU A 53 -2.518 1.426 0.408 1.00 0.00 C ATOM 875 O GLU A 53 -3.266 0.907 -0.412 1.00 0.00 O ATOM 876 CB GLU A 53 -1.334 3.354 -0.704 1.00 0.00 C ATOM 877 CG GLU A 53 -0.028 4.030 -1.078 1.00 0.00 C ATOM 878 CD GLU A 53 -0.224 5.339 -1.821 1.00 0.00 C ATOM 879 OE1 GLU A 53 -0.325 5.313 -3.069 1.00 0.00 O ATOM 880 OE2 GLU A 53 -0.242 6.415 -1.194 1.00 0.00 O ATOM 0 H GLU A 53 -1.143 0.802 -1.791 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.528 2.100 0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.944 3.249 -1.601 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.881 4.003 -0.021 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.549 4.217 -0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.560 3.353 -1.697 1.00 0.00 H new ATOM 887 N ILE A 54 -2.818 1.496 1.709 1.00 0.00 N ATOM 888 CA ILE A 54 -4.111 0.945 2.167 1.00 0.00 C ATOM 889 C ILE A 54 -5.166 2.020 2.406 1.00 0.00 C ATOM 890 O ILE A 54 -4.902 3.085 2.990 1.00 0.00 O ATOM 891 CB ILE A 54 -4.069 -0.055 3.388 1.00 0.00 C ATOM 892 CG1 ILE A 54 -3.976 0.636 4.744 1.00 0.00 C ATOM 893 CG2 ILE A 54 -2.922 -1.027 3.246 1.00 0.00 C ATOM 894 CD1 ILE A 54 -2.696 1.336 4.988 1.00 0.00 C ATOM 0 H ILE A 54 -2.226 1.903 2.433 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.400 0.333 1.312 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.021 -0.586 3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.791 1.355 4.828 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.125 -0.107 5.527 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.913 -1.706 4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.043 -1.600 2.327 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.982 -0.477 3.210 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.717 1.799 5.975 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.875 0.621 4.940 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.552 2.105 4.230 1.00 0.00 H new ATOM 906 N ILE A 55 -6.347 1.723 1.959 1.00 0.00 N ATOM 907 CA ILE A 55 -7.479 2.611 2.041 1.00 0.00 C ATOM 908 C ILE A 55 -8.429 2.156 3.154 1.00 0.00 C ATOM 909 O ILE A 55 -8.836 2.939 3.997 1.00 0.00 O ATOM 910 CB ILE A 55 -8.271 2.667 0.680 1.00 0.00 C ATOM 911 CG1 ILE A 55 -7.479 3.354 -0.465 1.00 0.00 C ATOM 912 CG2 ILE A 55 -9.641 3.314 0.839 1.00 0.00 C ATOM 913 CD1 ILE A 55 -6.302 2.569 -1.018 1.00 0.00 C ATOM 0 H ILE A 55 -6.562 0.831 1.513 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.096 3.607 2.262 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.413 1.626 0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.168 3.564 -1.283 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.113 4.315 -0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.150 3.330 -0.125 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.233 2.741 1.552 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.521 4.334 1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.823 3.143 -1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.583 2.381 -0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.655 1.619 -1.419 1.00 0.00 H new ATOM 925 N ARG A 56 -8.763 0.894 3.159 1.00 0.00 N ATOM 926 CA ARG A 56 -9.729 0.390 4.113 1.00 0.00 C ATOM 927 C ARG A 56 -9.055 -0.242 5.308 1.00 0.00 C ATOM 928 O ARG A 56 -8.380 -1.266 5.178 1.00 0.00 O ATOM 929 CB ARG A 56 -10.695 -0.594 3.442 1.00 0.00 C ATOM 930 CG ARG A 56 -11.616 -1.319 4.406 1.00 0.00 C ATOM 931 CD ARG A 56 -12.605 -2.212 3.688 1.00 0.00 C ATOM 932 NE ARG A 56 -13.574 -1.428 2.911 1.00 0.00 N ATOM 933 CZ ARG A 56 -14.269 -1.872 1.855 1.00 0.00 C ATOM 934 NH1 ARG A 56 -14.085 -3.105 1.390 1.00 0.00 N ATOM 935 NH2 ARG A 56 -15.167 -1.088 1.281 1.00 0.00 N ATOM 0 H ARG A 56 -8.386 0.195 2.519 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.306 1.240 4.477 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.301 -0.052 2.716 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.116 -1.332 2.886 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.020 -1.919 5.094 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.158 -0.589 5.007 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.069 -2.890 3.024 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.134 -2.829 4.415 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.731 -0.463 3.200 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.409 -3.723 1.838 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.620 -3.432 0.585 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.329 -0.148 1.642 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.697 -1.424 0.477 1.00 0.00 H new ATOM 949 N ILE A 57 -9.230 0.376 6.449 1.00 0.00 N ATOM 950 CA ILE A 57 -8.712 -0.130 7.694 1.00 0.00 C ATOM 951 C ILE A 57 -9.832 -0.916 8.365 1.00 0.00 C ATOM 952 O ILE A 57 -10.727 -0.323 8.967 1.00 0.00 O ATOM 953 CB ILE A 57 -8.305 1.045 8.642 1.00 0.00 C ATOM 954 CG1 ILE A 57 -7.324 2.025 7.957 1.00 0.00 C ATOM 955 CG2 ILE A 57 -7.722 0.526 9.948 1.00 0.00 C ATOM 956 CD1 ILE A 57 -6.007 1.416 7.535 1.00 0.00 C ATOM 0 H ILE A 57 -9.742 1.254 6.540 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.834 -0.747 7.502 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.216 1.597 8.872 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.810 2.448 7.078 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.124 2.851 8.639 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.449 1.368 10.585 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.463 -0.090 10.458 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.835 -0.073 9.738 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.387 2.179 7.065 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.493 1.019 8.410 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.190 0.609 6.825 1.00 0.00 H new ATOM 968 N THR A 58 -9.831 -2.224 8.231 1.00 0.00 N ATOM 969 CA THR A 58 -10.879 -3.014 8.838 1.00 0.00 C ATOM 970 C THR A 58 -10.354 -4.234 9.554 1.00 0.00 C ATOM 971 O THR A 58 -9.399 -4.858 9.119 1.00 0.00 O ATOM 972 CB THR A 58 -11.946 -3.457 7.814 1.00 0.00 C ATOM 973 OG1 THR A 58 -11.344 -4.027 6.635 1.00 0.00 O ATOM 974 CG2 THR A 58 -12.855 -2.312 7.434 1.00 0.00 C ATOM 0 H THR A 58 -9.129 -2.756 7.716 1.00 0.00 H new ATOM 0 HA THR A 58 -11.339 -2.352 9.572 1.00 0.00 H new ATOM 0 HB THR A 58 -12.548 -4.228 8.296 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.458 -4.382 6.859 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.594 -2.659 6.712 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.363 -1.940 8.324 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.264 -1.510 6.992 1.00 0.00 H new ATOM 1037 N GLY A 63 -11.074 -8.764 8.103 1.00 0.00 N ATOM 1038 CA GLY A 63 -9.970 -8.799 9.051 1.00 0.00 C ATOM 1039 C GLY A 63 -8.668 -8.433 8.395 1.00 0.00 C ATOM 1040 O GLY A 63 -7.591 -8.809 8.859 1.00 0.00 O ATOM 0 HA2 GLY A 63 -10.172 -8.110 9.871 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.893 -9.796 9.484 1.00 0.00 H new ATOM 1044 N LYS A 64 -8.772 -7.727 7.302 1.00 0.00 N ATOM 1045 CA LYS A 64 -7.641 -7.345 6.512 1.00 0.00 C ATOM 1046 C LYS A 64 -7.785 -5.880 6.159 1.00 0.00 C ATOM 1047 O LYS A 64 -8.875 -5.295 6.317 1.00 0.00 O ATOM 1048 CB LYS A 64 -7.641 -8.123 5.205 1.00 0.00 C ATOM 1049 CG LYS A 64 -7.742 -9.630 5.291 1.00 0.00 C ATOM 1050 CD LYS A 64 -6.501 -10.290 5.827 1.00 0.00 C ATOM 1051 CE LYS A 64 -6.697 -11.794 5.834 1.00 0.00 C ATOM 1052 NZ LYS A 64 -5.452 -12.515 6.100 1.00 0.00 N ATOM 0 H LYS A 64 -9.663 -7.397 6.932 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.726 -7.541 7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.473 -7.764 4.599 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.726 -7.877 4.667 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.587 -9.893 5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.955 -10.028 4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.640 -10.027 5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.293 -9.934 6.836 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.436 -12.058 6.590 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.099 -12.110 4.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.617 -13.538 6.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.727 -12.221 5.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.125 -12.300 7.063 1.00 0.00 H new ATOM 1066 N TRP A 65 -6.736 -5.307 5.657 1.00 0.00 N ATOM 1067 CA TRP A 65 -6.766 -3.951 5.170 1.00 0.00 C ATOM 1068 C TRP A 65 -6.789 -3.951 3.672 1.00 0.00 C ATOM 1069 O TRP A 65 -6.143 -4.756 3.059 1.00 0.00 O ATOM 1070 CB TRP A 65 -5.576 -3.157 5.683 1.00 0.00 C ATOM 1071 CG TRP A 65 -5.685 -2.810 7.122 1.00 0.00 C ATOM 1072 CD1 TRP A 65 -6.715 -3.101 7.954 1.00 0.00 C ATOM 1073 CD2 TRP A 65 -4.748 -2.081 7.892 1.00 0.00 C ATOM 1074 NE1 TRP A 65 -6.481 -2.593 9.185 1.00 0.00 N ATOM 1075 CE2 TRP A 65 -5.277 -1.963 9.181 1.00 0.00 C ATOM 1076 CE3 TRP A 65 -3.516 -1.522 7.619 1.00 0.00 C ATOM 1077 CZ2 TRP A 65 -4.615 -1.299 10.194 1.00 0.00 C ATOM 1078 CZ3 TRP A 65 -2.857 -0.866 8.620 1.00 0.00 C ATOM 1079 CH2 TRP A 65 -3.406 -0.754 9.898 1.00 0.00 C ATOM 0 H TRP A 65 -5.828 -5.763 5.570 1.00 0.00 H new ATOM 0 HA TRP A 65 -7.671 -3.471 5.542 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.665 -3.734 5.522 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -5.480 -2.241 5.101 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.596 -3.659 7.674 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.107 -2.670 9.987 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.081 -1.602 6.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -5.041 -1.216 11.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -1.892 -0.425 8.418 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -2.860 -0.225 10.665 1.00 0.00 H new ATOM 1090 N LEU A 66 -7.547 -3.077 3.092 1.00 0.00 N ATOM 1091 CA LEU A 66 -7.621 -3.010 1.652 1.00 0.00 C ATOM 1092 C LEU A 66 -6.523 -2.112 1.133 1.00 0.00 C ATOM 1093 O LEU A 66 -6.534 -0.902 1.376 1.00 0.00 O ATOM 1094 CB LEU A 66 -9.050 -2.582 1.189 1.00 0.00 C ATOM 1095 CG LEU A 66 -9.326 -2.355 -0.330 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -8.843 -0.989 -0.803 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -8.689 -3.450 -1.172 1.00 0.00 C ATOM 0 H LEU A 66 -8.126 -2.397 3.584 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.457 -3.998 1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.749 -3.342 1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.299 -1.657 1.709 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.408 -2.392 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.056 -0.876 -1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.358 -0.207 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.769 -0.906 -0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.898 -3.266 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.611 -3.453 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.101 -4.417 -0.884 1.00 0.00 H new ATOM 1109 N GLY A 67 -5.587 -2.710 0.456 1.00 0.00 N ATOM 1110 CA GLY A 67 -4.483 -2.012 -0.116 1.00 0.00 C ATOM 1111 C GLY A 67 -4.593 -1.967 -1.614 1.00 0.00 C ATOM 1112 O GLY A 67 -5.541 -2.496 -2.186 1.00 0.00 O ATOM 0 H GLY A 67 -5.573 -3.715 0.285 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.445 -0.997 0.280 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.552 -2.501 0.169 1.00 0.00 H new ATOM 1116 N ARG A 68 -3.634 -1.360 -2.236 1.00 0.00 N ATOM 1117 CA ARG A 68 -3.557 -1.249 -3.670 1.00 0.00 C ATOM 1118 C ARG A 68 -2.096 -1.164 -4.024 1.00 0.00 C ATOM 1119 O ARG A 68 -1.343 -0.522 -3.302 1.00 0.00 O ATOM 1120 CB ARG A 68 -4.278 0.022 -4.178 1.00 0.00 C ATOM 1121 CG ARG A 68 -3.596 1.343 -3.786 1.00 0.00 C ATOM 1122 CD ARG A 68 -4.295 2.582 -4.336 1.00 0.00 C ATOM 1123 NE ARG A 68 -4.412 2.596 -5.814 1.00 0.00 N ATOM 1124 CZ ARG A 68 -3.482 3.074 -6.676 1.00 0.00 C ATOM 1125 NH1 ARG A 68 -2.245 3.346 -6.278 1.00 0.00 N ATOM 1126 NH2 ARG A 68 -3.783 3.221 -7.951 1.00 0.00 N ATOM 0 H ARG A 68 -2.856 -0.912 -1.752 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.041 -2.109 -4.134 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.350 -0.026 -5.265 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.297 0.025 -3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.556 1.412 -2.699 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.566 1.330 -4.143 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.292 2.648 -3.901 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.748 3.469 -4.016 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.267 2.212 -6.217 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.978 3.196 -5.305 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.562 3.705 -6.945 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.714 2.975 -8.287 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.085 3.581 -8.602 1.00 0.00 H new ATOM 1140 N THR A 69 -1.682 -1.825 -5.059 1.00 0.00 N ATOM 1141 CA THR A 69 -0.320 -1.718 -5.497 1.00 0.00 C ATOM 1142 C THR A 69 -0.131 -0.419 -6.254 1.00 0.00 C ATOM 1143 O THR A 69 -1.114 0.257 -6.608 1.00 0.00 O ATOM 1144 CB THR A 69 0.080 -2.893 -6.414 1.00 0.00 C ATOM 1145 OG1 THR A 69 -0.843 -3.009 -7.513 1.00 0.00 O ATOM 1146 CG2 THR A 69 0.135 -4.197 -5.646 1.00 0.00 C ATOM 0 H THR A 69 -2.266 -2.446 -5.619 1.00 0.00 H new ATOM 0 HA THR A 69 0.315 -1.742 -4.611 1.00 0.00 H new ATOM 0 HB THR A 69 1.076 -2.685 -6.804 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.492 -3.647 -8.169 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.420 -5.005 -6.320 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.870 -4.117 -4.845 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.845 -4.409 -5.219 1.00 0.00 H new ATOM 1154 N ALA A 70 1.101 -0.108 -6.570 1.00 0.00 N ATOM 1155 CA ALA A 70 1.435 1.077 -7.324 1.00 0.00 C ATOM 1156 C ALA A 70 1.087 0.872 -8.804 1.00 0.00 C ATOM 1157 O ALA A 70 1.291 1.745 -9.638 1.00 0.00 O ATOM 1158 CB ALA A 70 2.914 1.391 -7.149 1.00 0.00 C ATOM 0 H ALA A 70 1.908 -0.674 -6.309 1.00 0.00 H new ATOM 0 HA ALA A 70 0.855 1.922 -6.954 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.166 2.286 -7.718 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.128 1.560 -6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.509 0.552 -7.509 1.00 0.00 H new ATOM 1164 N ARG A 71 0.569 -0.304 -9.113 1.00 0.00 N ATOM 1165 CA ARG A 71 0.154 -0.645 -10.450 1.00 0.00 C ATOM 1166 C ARG A 71 -1.373 -0.521 -10.569 1.00 0.00 C ATOM 1167 O ARG A 71 -1.920 -0.496 -11.669 1.00 0.00 O ATOM 1168 CB ARG A 71 0.600 -2.070 -10.789 1.00 0.00 C ATOM 1169 CG ARG A 71 2.110 -2.337 -10.654 1.00 0.00 C ATOM 1170 CD ARG A 71 2.980 -1.636 -11.719 1.00 0.00 C ATOM 1171 NE ARG A 71 2.967 -0.162 -11.650 1.00 0.00 N ATOM 1172 CZ ARG A 71 4.058 0.618 -11.486 1.00 0.00 C ATOM 1173 NH1 ARG A 71 5.236 0.081 -11.201 1.00 0.00 N ATOM 1174 NH2 ARG A 71 3.944 1.931 -11.598 1.00 0.00 N ATOM 0 H ARG A 71 0.426 -1.051 -8.433 1.00 0.00 H new ATOM 0 HA ARG A 71 0.619 0.043 -11.156 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.066 -2.764 -10.140 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.298 -2.294 -11.812 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.437 -2.014 -9.666 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.283 -3.412 -10.711 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.008 -1.982 -11.615 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.639 -1.943 -12.708 1.00 0.00 H new ATOM 0 HE ARG A 71 2.064 0.305 -11.733 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.325 -0.930 -11.103 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.053 0.679 -11.079 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.037 2.348 -11.807 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.763 2.526 -11.476 1.00 0.00 H new ATOM 1188 N GLY A 72 -2.051 -0.436 -9.428 1.00 0.00 N ATOM 1189 CA GLY A 72 -3.496 -0.276 -9.436 1.00 0.00 C ATOM 1190 C GLY A 72 -4.265 -1.547 -9.096 1.00 0.00 C ATOM 1191 O GLY A 72 -5.447 -1.670 -9.433 1.00 0.00 O ATOM 0 H GLY A 72 -1.628 -0.475 -8.501 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.768 0.502 -8.723 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.807 0.071 -10.421 1.00 0.00 H new ATOM 1195 N SER A 73 -3.622 -2.482 -8.434 1.00 0.00 N ATOM 1196 CA SER A 73 -4.266 -3.703 -8.037 1.00 0.00 C ATOM 1197 C SER A 73 -4.597 -3.651 -6.565 1.00 0.00 C ATOM 1198 O SER A 73 -3.712 -3.574 -5.722 1.00 0.00 O ATOM 1199 CB SER A 73 -3.378 -4.903 -8.348 1.00 0.00 C ATOM 1200 OG SER A 73 -3.173 -5.021 -9.748 1.00 0.00 O ATOM 0 H SER A 73 -2.642 -2.414 -8.159 1.00 0.00 H new ATOM 0 HA SER A 73 -5.192 -3.814 -8.601 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.419 -4.794 -7.842 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.839 -5.813 -7.964 1.00 0.00 H new ATOM 0 HG SER A 73 -2.600 -5.795 -9.931 1.00 0.00 H new ATOM 1206 N TYR A 74 -5.858 -3.633 -6.278 1.00 0.00 N ATOM 1207 CA TYR A 74 -6.350 -3.587 -4.917 1.00 0.00 C ATOM 1208 C TYR A 74 -6.472 -4.974 -4.344 1.00 0.00 C ATOM 1209 O TYR A 74 -6.782 -5.922 -5.066 1.00 0.00 O ATOM 1210 CB TYR A 74 -7.695 -2.868 -4.846 1.00 0.00 C ATOM 1211 CG TYR A 74 -7.639 -1.390 -5.174 1.00 0.00 C ATOM 1212 CD1 TYR A 74 -7.496 -0.940 -6.486 1.00 0.00 C ATOM 1213 CD2 TYR A 74 -7.727 -0.446 -4.168 1.00 0.00 C ATOM 1214 CE1 TYR A 74 -7.445 0.403 -6.774 1.00 0.00 C ATOM 1215 CE2 TYR A 74 -7.672 0.898 -4.450 1.00 0.00 C ATOM 1216 CZ TYR A 74 -7.533 1.317 -5.753 1.00 0.00 C ATOM 1217 OH TYR A 74 -7.462 2.660 -6.027 1.00 0.00 O ATOM 0 H TYR A 74 -6.595 -3.650 -6.983 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.628 -3.028 -4.322 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.388 -3.353 -5.533 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.104 -2.989 -3.843 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.424 -1.659 -7.289 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.841 -0.770 -3.144 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.337 0.737 -7.795 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.738 1.622 -3.652 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.274 2.941 -6.498 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.203 -5.095 -3.077 1.00 0.00 N ATOM 1228 CA GLY A 75 -6.302 -6.378 -2.415 1.00 0.00 C ATOM 1229 C GLY A 75 -6.240 -6.245 -0.927 1.00 0.00 C ATOM 1230 O GLY A 75 -5.675 -5.280 -0.426 1.00 0.00 O ATOM 0 H GLY A 75 -5.913 -4.325 -2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.238 -6.861 -2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.494 -7.025 -2.755 1.00 0.00 H new ATOM 1234 N TYR A 76 -6.833 -7.180 -0.217 1.00 0.00 N ATOM 1235 CA TYR A 76 -6.755 -7.182 1.224 1.00 0.00 C ATOM 1236 C TYR A 76 -5.374 -7.598 1.702 1.00 0.00 C ATOM 1237 O TYR A 76 -4.624 -8.246 0.991 1.00 0.00 O ATOM 1238 CB TYR A 76 -7.857 -8.012 1.870 1.00 0.00 C ATOM 1239 CG TYR A 76 -9.199 -7.308 1.940 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -9.412 -6.301 2.874 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -10.240 -7.641 1.095 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -10.619 -5.651 2.964 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -11.459 -6.991 1.182 1.00 0.00 C ATOM 1244 CZ TYR A 76 -11.638 -5.998 2.118 1.00 0.00 C ATOM 1245 OH TYR A 76 -12.851 -5.354 2.216 1.00 0.00 O ATOM 0 H TYR A 76 -7.374 -7.947 -0.616 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.920 -6.155 1.551 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.974 -8.940 1.311 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.548 -8.285 2.879 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.611 -6.023 3.544 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.101 -8.418 0.358 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.763 -4.871 3.697 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.266 -7.262 0.518 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.468 -5.714 1.545 1.00 0.00 H new ATOM 1255 N ILE A 77 -5.028 -7.180 2.864 1.00 0.00 N ATOM 1256 CA ILE A 77 -3.715 -7.387 3.382 1.00 0.00 C ATOM 1257 C ILE A 77 -3.796 -7.786 4.829 1.00 0.00 C ATOM 1258 O ILE A 77 -4.584 -7.203 5.585 1.00 0.00 O ATOM 1259 CB ILE A 77 -2.942 -6.042 3.349 1.00 0.00 C ATOM 1260 CG1 ILE A 77 -2.951 -5.440 1.963 1.00 0.00 C ATOM 1261 CG2 ILE A 77 -1.518 -6.253 3.786 1.00 0.00 C ATOM 1262 CD1 ILE A 77 -2.525 -4.025 1.922 1.00 0.00 C ATOM 0 H ILE A 77 -5.652 -6.677 3.495 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.224 -8.156 2.786 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.441 -5.355 4.032 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.295 -6.026 1.319 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.957 -5.519 1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.985 -5.303 3.759 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.504 -6.648 4.802 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.032 -6.961 3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.558 -3.665 0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.195 -3.425 2.538 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.508 -3.940 2.304 1.00 0.00 H new ATOM 1274 N LYS A 78 -3.017 -8.776 5.226 1.00 0.00 N ATOM 1275 CA LYS A 78 -2.858 -9.045 6.635 1.00 0.00 C ATOM 1276 C LYS A 78 -2.067 -7.860 7.167 1.00 0.00 C ATOM 1277 O LYS A 78 -1.118 -7.447 6.516 1.00 0.00 O ATOM 1278 CB LYS A 78 -1.982 -10.262 6.892 1.00 0.00 C ATOM 1279 CG LYS A 78 -2.353 -11.552 6.195 1.00 0.00 C ATOM 1280 CD LYS A 78 -1.372 -12.662 6.578 1.00 0.00 C ATOM 1281 CE LYS A 78 0.059 -12.306 6.191 1.00 0.00 C ATOM 1282 NZ LYS A 78 1.041 -13.309 6.646 1.00 0.00 N ATOM 0 H LYS A 78 -2.496 -9.394 4.604 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.835 -9.209 7.089 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.961 -10.007 6.606 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.975 -10.450 7.966 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.367 -11.843 6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.344 -11.406 5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.425 -12.840 7.652 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.662 -13.590 6.086 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.123 -12.207 5.107 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.315 -11.335 6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.996 -13.016 6.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.003 -13.387 7.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.818 -14.231 6.221 1.00 0.00 H new ATOM 1296 N THR A 79 -2.354 -7.381 8.330 1.00 0.00 N ATOM 1297 CA THR A 79 -1.683 -6.183 8.838 1.00 0.00 C ATOM 1298 C THR A 79 -0.190 -6.439 9.171 1.00 0.00 C ATOM 1299 O THR A 79 0.571 -5.525 9.467 1.00 0.00 O ATOM 1300 CB THR A 79 -2.442 -5.636 10.049 1.00 0.00 C ATOM 1301 OG1 THR A 79 -2.538 -6.650 11.063 1.00 0.00 O ATOM 1302 CG2 THR A 79 -3.832 -5.267 9.621 1.00 0.00 C ATOM 0 H THR A 79 -3.045 -7.784 8.963 1.00 0.00 H new ATOM 0 HA THR A 79 -1.693 -5.432 8.048 1.00 0.00 H new ATOM 0 HB THR A 79 -1.914 -4.768 10.443 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.023 -6.294 11.837 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.384 -4.875 10.476 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.783 -4.507 8.841 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.340 -6.150 9.235 1.00 0.00 H new ATOM 1310 N THR A 80 0.194 -7.691 9.084 1.00 0.00 N ATOM 1311 CA THR A 80 1.541 -8.140 9.323 1.00 0.00 C ATOM 1312 C THR A 80 2.292 -8.256 7.990 1.00 0.00 C ATOM 1313 O THR A 80 3.513 -8.168 7.943 1.00 0.00 O ATOM 1314 CB THR A 80 1.498 -9.518 10.041 1.00 0.00 C ATOM 1315 OG1 THR A 80 2.790 -10.147 10.130 1.00 0.00 O ATOM 1316 CG2 THR A 80 0.539 -10.442 9.334 1.00 0.00 C ATOM 0 H THR A 80 -0.445 -8.447 8.837 1.00 0.00 H new ATOM 0 HA THR A 80 2.064 -7.422 9.955 1.00 0.00 H new ATOM 0 HB THR A 80 1.159 -9.327 11.059 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.704 -11.008 10.591 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.517 -11.404 9.846 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.459 -10.005 9.341 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.865 -10.586 8.304 1.00 0.00 H new ATOM 1324 N ALA A 81 1.530 -8.391 6.900 1.00 0.00 N ATOM 1325 CA ALA A 81 2.105 -8.584 5.564 1.00 0.00 C ATOM 1326 C ALA A 81 2.719 -7.301 5.043 1.00 0.00 C ATOM 1327 O ALA A 81 3.491 -7.311 4.089 1.00 0.00 O ATOM 1328 CB ALA A 81 1.061 -9.120 4.568 1.00 0.00 C ATOM 0 H ALA A 81 0.510 -8.370 6.917 1.00 0.00 H new ATOM 0 HA ALA A 81 2.893 -9.331 5.659 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.524 -9.250 3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.681 -10.079 4.920 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.237 -8.411 4.488 1.00 0.00 H new ATOM 1334 N VAL A 82 2.381 -6.196 5.670 1.00 0.00 N ATOM 1335 CA VAL A 82 2.891 -4.913 5.240 1.00 0.00 C ATOM 1336 C VAL A 82 3.449 -4.125 6.370 1.00 0.00 C ATOM 1337 O VAL A 82 3.058 -4.302 7.526 1.00 0.00 O ATOM 1338 CB VAL A 82 1.853 -4.047 4.470 1.00 0.00 C ATOM 1339 CG1 VAL A 82 1.466 -4.726 3.213 1.00 0.00 C ATOM 1340 CG2 VAL A 82 0.612 -3.787 5.284 1.00 0.00 C ATOM 0 H VAL A 82 1.757 -6.160 6.476 1.00 0.00 H new ATOM 0 HA VAL A 82 3.691 -5.161 4.542 1.00 0.00 H new ATOM 0 HB VAL A 82 2.328 -3.089 4.259 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.739 -4.115 2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.349 -4.868 2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.025 -5.696 3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.082 -3.179 4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.139 -4.735 5.539 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.881 -3.259 6.199 1.00 0.00 H new ATOM 1350 N GLU A 83 4.377 -3.292 6.040 1.00 0.00 N ATOM 1351 CA GLU A 83 4.970 -2.386 6.949 1.00 0.00 C ATOM 1352 C GLU A 83 4.181 -1.088 6.848 1.00 0.00 C ATOM 1353 O GLU A 83 4.315 -0.334 5.873 1.00 0.00 O ATOM 1354 CB GLU A 83 6.423 -2.156 6.553 1.00 0.00 C ATOM 1355 CG GLU A 83 7.256 -3.422 6.434 1.00 0.00 C ATOM 1356 CD GLU A 83 7.447 -4.131 7.742 1.00 0.00 C ATOM 1357 OE1 GLU A 83 8.282 -3.684 8.545 1.00 0.00 O ATOM 1358 OE2 GLU A 83 6.799 -5.169 7.981 1.00 0.00 O ATOM 0 H GLU A 83 4.753 -3.225 5.094 1.00 0.00 H new ATOM 0 HA GLU A 83 4.953 -2.768 7.970 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.447 -1.631 5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.887 -1.500 7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.776 -4.100 5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.232 -3.169 6.020 1.00 0.00 H new ATOM 1365 N ILE A 84 3.319 -0.894 7.783 1.00 0.00 N ATOM 1366 CA ILE A 84 2.439 0.249 7.835 1.00 0.00 C ATOM 1367 C ILE A 84 3.058 1.365 8.645 1.00 0.00 C ATOM 1368 O ILE A 84 3.451 1.174 9.802 1.00 0.00 O ATOM 1369 CB ILE A 84 1.090 -0.152 8.484 1.00 0.00 C ATOM 1370 CG1 ILE A 84 0.335 -1.134 7.606 1.00 0.00 C ATOM 1371 CG2 ILE A 84 0.215 1.059 8.837 1.00 0.00 C ATOM 1372 CD1 ILE A 84 -0.154 -0.531 6.334 1.00 0.00 C ATOM 0 H ILE A 84 3.193 -1.539 8.563 1.00 0.00 H new ATOM 0 HA ILE A 84 2.274 0.596 6.815 1.00 0.00 H new ATOM 0 HB ILE A 84 1.332 -0.644 9.426 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.985 -1.978 7.374 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.514 -1.530 8.163 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.716 0.716 9.288 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.746 1.698 9.542 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.007 1.624 7.932 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.685 -1.286 5.754 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.829 0.295 6.559 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.694 -0.160 5.758 1.00 0.00 H new ATOM 1384 N ASP A 85 3.162 2.517 8.059 1.00 0.00 N ATOM 1385 CA ASP A 85 3.629 3.652 8.800 1.00 0.00 C ATOM 1386 C ASP A 85 2.458 4.517 9.154 1.00 0.00 C ATOM 1387 O ASP A 85 1.529 4.706 8.351 1.00 0.00 O ATOM 1388 CB ASP A 85 4.689 4.469 8.058 1.00 0.00 C ATOM 1389 CG ASP A 85 5.941 3.680 7.726 1.00 0.00 C ATOM 1390 OD1 ASP A 85 6.672 3.260 8.657 1.00 0.00 O ATOM 1391 OD2 ASP A 85 6.213 3.452 6.526 1.00 0.00 O ATOM 0 H ASP A 85 2.934 2.698 7.082 1.00 0.00 H new ATOM 0 HA ASP A 85 4.116 3.276 9.700 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.257 4.855 7.135 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.963 5.331 8.666 1.00 0.00 H new