USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=16 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+ 159:sc= 1.18 (180deg=0.719) USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0298) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HE2:sc= -0.557 K(o=-0.56,f=-3.3!) 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+ 158:sc= -0.153 (180deg=-0.644) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00669) USER MOD Single : A 48 GLN : amide:sc= -0.0633 K(o=-0.063,f=-1.4) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 58 THR OG1 : rot 50:sc= 0.427 USER MOD Single : A 64 LYS NZ :NH3+ -165:sc= -0.0559 (180deg=-0.342) USER MOD Single : A 69 THR OG1 : rot -170:sc= 0.46 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 90:sc= 0.79 USER MOD Single : A 76 TYR OH : rot 180:sc= 0.671 USER MOD Single : A 78 LYS NZ :NH3+ -131:sc= -0.0484 (180deg=-2.08!) 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 -12.987 -5.627 -10.986 1.00 0.00 N ATOM 245 CA GLU A 14 -13.477 -6.661 -10.114 1.00 0.00 C ATOM 246 C GLU A 14 -13.446 -6.210 -8.663 1.00 0.00 C ATOM 247 O GLU A 14 -14.423 -6.368 -7.960 1.00 0.00 O ATOM 248 CB GLU A 14 -12.671 -7.955 -10.294 1.00 0.00 C ATOM 249 CG GLU A 14 -13.224 -9.144 -9.515 1.00 0.00 C ATOM 250 CD GLU A 14 -12.354 -10.375 -9.610 1.00 0.00 C ATOM 251 OE1 GLU A 14 -12.316 -11.031 -10.675 1.00 0.00 O ATOM 252 OE2 GLU A 14 -11.696 -10.723 -8.620 1.00 0.00 O ATOM 0 HA GLU A 14 -14.513 -6.863 -10.385 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.643 -8.209 -11.354 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.642 -7.776 -9.982 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.333 -8.864 -8.467 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.221 -9.382 -9.887 1.00 0.00 H new ATOM 259 N ILE A 15 -12.342 -5.594 -8.246 1.00 0.00 N ATOM 260 CA ILE A 15 -12.130 -5.162 -6.852 1.00 0.00 C ATOM 261 C ILE A 15 -13.233 -4.234 -6.350 1.00 0.00 C ATOM 262 O ILE A 15 -13.590 -4.256 -5.173 1.00 0.00 O ATOM 263 CB ILE A 15 -10.717 -4.502 -6.645 1.00 0.00 C ATOM 264 CG1 ILE A 15 -10.523 -3.225 -7.494 1.00 0.00 C ATOM 265 CG2 ILE A 15 -9.603 -5.498 -6.913 1.00 0.00 C ATOM 266 CD1 ILE A 15 -10.907 -1.940 -6.804 1.00 0.00 C ATOM 0 H ILE A 15 -11.560 -5.376 -8.864 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.169 -6.071 -6.252 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.670 -4.198 -5.599 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.477 -3.161 -7.794 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.111 -3.320 -8.407 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.638 -5.014 -6.762 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.697 -6.341 -6.229 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.673 -5.855 -7.941 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.736 -1.100 -7.478 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.961 -1.976 -6.529 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.302 -1.814 -5.906 1.00 0.00 H new ATOM 278 N LYS A 16 -13.820 -3.486 -7.262 1.00 0.00 N ATOM 279 CA LYS A 16 -14.840 -2.522 -6.916 1.00 0.00 C ATOM 280 C LYS A 16 -16.151 -3.209 -6.594 1.00 0.00 C ATOM 281 O LYS A 16 -16.980 -2.673 -5.872 1.00 0.00 O ATOM 282 CB LYS A 16 -14.985 -1.484 -8.019 1.00 0.00 C ATOM 283 CG LYS A 16 -13.786 -0.569 -8.128 1.00 0.00 C ATOM 284 CD LYS A 16 -13.945 0.460 -9.231 1.00 0.00 C ATOM 285 CE LYS A 16 -12.692 1.317 -9.349 1.00 0.00 C ATOM 286 NZ LYS A 16 -12.821 2.362 -10.379 1.00 0.00 N ATOM 0 H LYS A 16 -13.604 -3.530 -8.258 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.533 -1.995 -6.012 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.136 -1.992 -8.971 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.877 -0.885 -7.833 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.634 -0.058 -7.177 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.893 -1.165 -8.316 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.139 -0.042 -10.179 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -14.807 1.094 -9.023 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.482 1.783 -8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.840 0.680 -9.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.943 2.918 -10.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.995 1.919 -11.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.616 2.988 -10.141 1.00 0.00 H new ATOM 300 N LYS A 17 -16.300 -4.407 -7.094 1.00 0.00 N ATOM 301 CA LYS A 17 -17.456 -5.240 -6.827 1.00 0.00 C ATOM 302 C LYS A 17 -17.113 -6.207 -5.701 1.00 0.00 C ATOM 303 O LYS A 17 -17.883 -6.416 -4.768 1.00 0.00 O ATOM 304 CB LYS A 17 -17.792 -6.057 -8.077 1.00 0.00 C ATOM 305 CG LYS A 17 -18.202 -5.240 -9.289 1.00 0.00 C ATOM 306 CD LYS A 17 -19.565 -4.614 -9.091 1.00 0.00 C ATOM 307 CE LYS A 17 -19.995 -3.844 -10.319 1.00 0.00 C ATOM 308 NZ LYS A 17 -21.404 -3.428 -10.227 1.00 0.00 N ATOM 0 H LYS A 17 -15.614 -4.844 -7.709 1.00 0.00 H new ATOM 0 HA LYS A 17 -18.304 -4.613 -6.551 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -16.924 -6.661 -8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -18.599 -6.748 -7.834 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -17.463 -4.459 -9.471 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -18.217 -5.878 -10.173 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -20.297 -5.391 -8.871 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -19.540 -3.946 -8.230 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -19.362 -2.965 -10.439 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -19.854 -4.462 -11.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -21.667 -2.902 -11.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -22.009 -4.269 -10.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -21.532 -2.818 -9.394 1.00 0.00 H new ATOM 322 N LYS A 18 -15.917 -6.747 -5.803 1.00 0.00 N ATOM 323 CA LYS A 18 -15.375 -7.779 -4.939 1.00 0.00 C ATOM 324 C LYS A 18 -15.264 -7.281 -3.514 1.00 0.00 C ATOM 325 O LYS A 18 -15.724 -7.925 -2.573 1.00 0.00 O ATOM 326 CB LYS A 18 -13.980 -8.136 -5.455 1.00 0.00 C ATOM 327 CG LYS A 18 -13.391 -9.429 -4.951 1.00 0.00 C ATOM 328 CD LYS A 18 -11.965 -9.582 -5.453 1.00 0.00 C ATOM 329 CE LYS A 18 -11.479 -11.011 -5.336 1.00 0.00 C ATOM 330 NZ LYS A 18 -12.196 -11.898 -6.288 1.00 0.00 N ATOM 0 H LYS A 18 -15.260 -6.464 -6.530 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.034 -8.648 -4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.019 -8.179 -6.543 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.300 -7.325 -5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.405 -9.444 -3.861 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.996 -10.270 -5.289 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.910 -9.263 -6.494 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.307 -8.926 -4.883 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.408 -11.052 -5.532 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.630 -11.368 -4.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.634 -12.757 -6.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.120 -12.160 -5.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.337 -11.398 -7.189 1.00 0.00 H new ATOM 344 N PHE A 19 -14.667 -6.129 -3.358 1.00 0.00 N ATOM 345 CA PHE A 19 -14.434 -5.585 -2.046 1.00 0.00 C ATOM 346 C PHE A 19 -15.443 -4.514 -1.743 1.00 0.00 C ATOM 347 O PHE A 19 -15.466 -3.983 -0.637 1.00 0.00 O ATOM 348 CB PHE A 19 -13.024 -4.986 -1.969 1.00 0.00 C ATOM 349 CG PHE A 19 -11.916 -5.947 -2.324 1.00 0.00 C ATOM 350 CD1 PHE A 19 -11.884 -7.226 -1.797 1.00 0.00 C ATOM 351 CD2 PHE A 19 -10.919 -5.574 -3.202 1.00 0.00 C ATOM 352 CE1 PHE A 19 -10.879 -8.108 -2.137 1.00 0.00 C ATOM 353 CE2 PHE A 19 -9.913 -6.452 -3.548 1.00 0.00 C ATOM 354 CZ PHE A 19 -9.895 -7.723 -3.013 1.00 0.00 C ATOM 0 H PHE A 19 -14.332 -5.547 -4.126 1.00 0.00 H new ATOM 0 HA PHE A 19 -14.529 -6.388 -1.315 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.971 -4.127 -2.638 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.856 -4.614 -0.958 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -12.657 -7.538 -1.110 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.926 -4.580 -3.624 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.867 -9.102 -1.714 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.140 -6.144 -4.237 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.109 -8.413 -3.282 1.00 0.00 H new ATOM 364 N LYS A 20 -16.309 -4.241 -2.723 1.00 0.00 N ATOM 365 CA LYS A 20 -17.250 -3.127 -2.664 1.00 0.00 C ATOM 366 C LYS A 20 -16.477 -1.846 -2.499 1.00 0.00 C ATOM 367 O LYS A 20 -16.346 -1.313 -1.406 1.00 0.00 O ATOM 368 CB LYS A 20 -18.297 -3.279 -1.557 1.00 0.00 C ATOM 369 CG LYS A 20 -19.269 -4.426 -1.749 1.00 0.00 C ATOM 370 CD LYS A 20 -20.264 -4.487 -0.602 1.00 0.00 C ATOM 371 CE LYS A 20 -21.064 -3.193 -0.456 1.00 0.00 C ATOM 372 NZ LYS A 20 -21.898 -2.911 -1.644 1.00 0.00 N ATOM 0 H LYS A 20 -16.375 -4.790 -3.580 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.810 -3.113 -3.599 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.782 -3.414 -0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -18.864 -2.351 -1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -19.801 -4.304 -2.692 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.721 -5.366 -1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -20.950 -5.319 -0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.731 -4.689 0.327 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -21.702 -3.261 0.425 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -20.379 -2.362 -0.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -22.485 -2.071 -1.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -21.284 -2.736 -2.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -22.512 -3.727 -1.839 1.00 0.00 H new ATOM 386 N LEU A 21 -15.896 -1.401 -3.565 1.00 0.00 N ATOM 387 CA LEU A 21 -15.036 -0.256 -3.504 1.00 0.00 C ATOM 388 C LEU A 21 -15.503 0.820 -4.459 1.00 0.00 C ATOM 389 O LEU A 21 -14.758 1.747 -4.786 1.00 0.00 O ATOM 390 CB LEU A 21 -13.618 -0.667 -3.865 1.00 0.00 C ATOM 391 CG LEU A 21 -12.533 0.132 -3.176 1.00 0.00 C ATOM 392 CD1 LEU A 21 -12.578 -0.140 -1.687 1.00 0.00 C ATOM 393 CD2 LEU A 21 -11.187 -0.211 -3.736 1.00 0.00 C ATOM 0 H LEU A 21 -15.999 -1.812 -4.493 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.063 0.142 -2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.486 -1.721 -3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.490 -0.573 -4.943 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.705 1.194 -3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.797 0.434 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.551 0.152 -1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.418 -1.203 -1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.421 0.374 -3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.991 -1.273 -3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.168 0.015 -4.802 1.00 0.00 H new ATOM 405 N THR A 22 -16.718 0.711 -4.910 1.00 0.00 N ATOM 406 CA THR A 22 -17.222 1.667 -5.835 1.00 0.00 C ATOM 407 C THR A 22 -17.720 2.918 -5.083 1.00 0.00 C ATOM 408 O THR A 22 -18.656 2.863 -4.259 1.00 0.00 O ATOM 409 CB THR A 22 -18.281 1.053 -6.817 1.00 0.00 C ATOM 410 OG1 THR A 22 -18.691 2.018 -7.795 1.00 0.00 O ATOM 411 CG2 THR A 22 -19.500 0.498 -6.092 1.00 0.00 C ATOM 0 H THR A 22 -17.371 -0.028 -4.651 1.00 0.00 H new ATOM 0 HA THR A 22 -16.407 1.987 -6.484 1.00 0.00 H new ATOM 0 HB THR A 22 -17.790 0.218 -7.318 1.00 0.00 H new ATOM 0 HG1 THR A 22 -19.350 1.614 -8.397 1.00 0.00 H new ATOM 0 HG21 THR A 22 -20.200 0.086 -6.819 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.188 -0.287 -5.404 1.00 0.00 H new ATOM 0 HG23 THR A 22 -19.986 1.298 -5.533 1.00 0.00 H new ATOM 419 N GLY A 23 -17.048 4.016 -5.315 1.00 0.00 N ATOM 420 CA GLY A 23 -17.363 5.245 -4.648 1.00 0.00 C ATOM 421 C GLY A 23 -16.099 5.997 -4.289 1.00 0.00 C ATOM 422 O GLY A 23 -15.014 5.611 -4.732 1.00 0.00 O ATOM 0 H GLY A 23 -16.269 4.080 -5.971 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -17.990 5.863 -5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.938 5.038 -3.745 1.00 0.00 H new ATOM 426 N PRO A 24 -16.191 7.063 -3.496 1.00 0.00 N ATOM 427 CA PRO A 24 -15.031 7.860 -3.113 1.00 0.00 C ATOM 428 C PRO A 24 -14.201 7.175 -2.026 1.00 0.00 C ATOM 429 O PRO A 24 -14.698 6.928 -0.911 1.00 0.00 O ATOM 430 CB PRO A 24 -15.648 9.166 -2.564 1.00 0.00 C ATOM 431 CG PRO A 24 -17.122 9.053 -2.800 1.00 0.00 C ATOM 432 CD PRO A 24 -17.420 7.589 -2.907 1.00 0.00 C ATOM 0 HA PRO A 24 -14.351 8.015 -3.951 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -15.430 9.285 -1.503 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.236 10.037 -3.074 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.682 9.505 -1.982 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.411 9.576 -3.712 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.627 7.144 -1.934 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -18.288 7.396 -3.537 1.00 0.00 H new ATOM 440 N ILE A 25 -12.962 6.856 -2.339 1.00 0.00 N ATOM 441 CA ILE A 25 -12.065 6.224 -1.390 1.00 0.00 C ATOM 442 C ILE A 25 -10.703 6.930 -1.376 1.00 0.00 C ATOM 443 O ILE A 25 -10.202 7.357 -2.431 1.00 0.00 O ATOM 444 CB ILE A 25 -11.943 4.650 -1.593 1.00 0.00 C ATOM 445 CG1 ILE A 25 -11.539 4.221 -3.032 1.00 0.00 C ATOM 446 CG2 ILE A 25 -13.215 3.930 -1.166 1.00 0.00 C ATOM 447 CD1 ILE A 25 -10.050 4.277 -3.331 1.00 0.00 C ATOM 0 H ILE A 25 -12.548 7.026 -3.256 1.00 0.00 H new ATOM 0 HA ILE A 25 -12.508 6.343 -0.401 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.123 4.348 -0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.889 3.203 -3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -12.060 4.860 -3.744 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -13.095 2.857 -1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.408 4.127 -0.111 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -14.054 4.290 -1.762 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.873 3.959 -4.358 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.691 5.298 -3.200 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.517 3.614 -2.649 1.00 0.00 H new ATOM 459 N GLN A 26 -10.141 7.101 -0.198 1.00 0.00 N ATOM 460 CA GLN A 26 -8.856 7.781 -0.024 1.00 0.00 C ATOM 461 C GLN A 26 -7.941 6.963 0.857 1.00 0.00 C ATOM 462 O GLN A 26 -8.388 6.380 1.851 1.00 0.00 O ATOM 463 CB GLN A 26 -9.031 9.171 0.596 1.00 0.00 C ATOM 464 CG GLN A 26 -9.790 10.161 -0.259 1.00 0.00 C ATOM 465 CD GLN A 26 -9.886 11.525 0.390 1.00 0.00 C ATOM 466 OE1 GLN A 26 -10.825 11.811 1.132 1.00 0.00 O ATOM 467 NE2 GLN A 26 -8.948 12.378 0.109 1.00 0.00 N ATOM 0 H GLN A 26 -10.557 6.775 0.674 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.416 7.893 -1.015 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.549 9.065 1.549 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.045 9.582 0.813 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.297 10.255 -1.226 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.793 9.780 -0.449 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.183 12.109 -0.510 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.976 13.317 0.507 1.00 0.00 H new ATOM 476 N VAL A 27 -6.672 6.930 0.501 1.00 0.00 N ATOM 477 CA VAL A 27 -5.666 6.181 1.238 1.00 0.00 C ATOM 478 C VAL A 27 -5.500 6.731 2.666 1.00 0.00 C ATOM 479 O VAL A 27 -5.570 7.947 2.893 1.00 0.00 O ATOM 480 CB VAL A 27 -4.290 6.168 0.492 1.00 0.00 C ATOM 481 CG1 VAL A 27 -3.646 7.533 0.431 1.00 0.00 C ATOM 482 CG2 VAL A 27 -3.351 5.198 1.120 1.00 0.00 C ATOM 0 H VAL A 27 -6.305 7.424 -0.312 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.018 5.152 1.304 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.502 5.857 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.695 7.463 -0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.305 8.223 -0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.473 7.899 1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.403 5.209 0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.182 5.477 2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.780 4.197 1.078 1.00 0.00 H new ATOM 492 N ILE A 28 -5.316 5.841 3.617 1.00 0.00 N ATOM 493 CA ILE A 28 -5.174 6.232 5.012 1.00 0.00 C ATOM 494 C ILE A 28 -3.697 6.167 5.485 1.00 0.00 C ATOM 495 O ILE A 28 -3.261 6.956 6.331 1.00 0.00 O ATOM 496 CB ILE A 28 -6.115 5.376 5.918 1.00 0.00 C ATOM 497 CG1 ILE A 28 -7.573 5.592 5.471 1.00 0.00 C ATOM 498 CG2 ILE A 28 -5.950 5.729 7.391 1.00 0.00 C ATOM 499 CD1 ILE A 28 -8.610 4.856 6.295 1.00 0.00 C ATOM 0 H ILE A 28 -5.260 4.836 3.453 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.479 7.275 5.101 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.846 4.326 5.808 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.794 6.659 5.505 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.669 5.280 4.431 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.621 5.113 7.990 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.920 5.546 7.696 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.191 6.781 7.542 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.605 5.070 5.904 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.423 3.784 6.242 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.550 5.184 7.333 1.00 0.00 H new ATOM 511 N HIS A 29 -2.944 5.225 4.944 1.00 0.00 N ATOM 512 CA HIS A 29 -1.501 5.061 5.235 1.00 0.00 C ATOM 513 C HIS A 29 -0.889 4.372 4.061 1.00 0.00 C ATOM 514 O HIS A 29 -1.608 3.824 3.228 1.00 0.00 O ATOM 515 CB HIS A 29 -1.211 4.142 6.448 1.00 0.00 C ATOM 516 CG HIS A 29 -1.555 4.634 7.811 1.00 0.00 C ATOM 517 ND1 HIS A 29 -0.623 5.161 8.675 1.00 0.00 N ATOM 518 CD2 HIS A 29 -2.721 4.640 8.472 1.00 0.00 C ATOM 519 CE1 HIS A 29 -1.214 5.478 9.808 1.00 0.00 C ATOM 520 NE2 HIS A 29 -2.483 5.173 9.705 1.00 0.00 N ATOM 0 H HIS A 29 -3.306 4.538 4.282 1.00 0.00 H new ATOM 0 HA HIS A 29 -1.104 6.054 5.445 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -1.745 3.205 6.289 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.147 3.907 6.439 1.00 0.00 H new ATOM 0 HD1 HIS A 29 0.368 5.286 8.470 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.671 4.289 8.098 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.735 5.914 10.672 1.00 0.00 H new ATOM 529 N LEU A 30 0.395 4.347 3.990 1.00 0.00 N ATOM 530 CA LEU A 30 1.027 3.592 2.966 1.00 0.00 C ATOM 531 C LEU A 30 1.634 2.355 3.581 1.00 0.00 C ATOM 532 O LEU A 30 2.146 2.386 4.709 1.00 0.00 O ATOM 533 CB LEU A 30 2.054 4.400 2.140 1.00 0.00 C ATOM 534 CG LEU A 30 1.498 5.496 1.195 1.00 0.00 C ATOM 535 CD1 LEU A 30 0.901 6.669 1.953 1.00 0.00 C ATOM 536 CD2 LEU A 30 2.572 5.967 0.231 1.00 0.00 C ATOM 0 H LEU A 30 1.026 4.837 4.624 1.00 0.00 H new ATOM 0 HA LEU A 30 0.267 3.305 2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.749 4.873 2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.632 3.698 1.540 1.00 0.00 H new ATOM 0 HG LEU A 30 0.687 5.043 0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.526 7.408 1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.081 6.318 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.667 7.124 2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.162 6.736 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.410 6.378 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.916 5.125 -0.370 1.00 0.00 H new ATOM 548 N ALA A 31 1.474 1.270 2.908 1.00 0.00 N ATOM 549 CA ALA A 31 2.008 0.010 3.343 1.00 0.00 C ATOM 550 C ALA A 31 3.128 -0.436 2.415 1.00 0.00 C ATOM 551 O ALA A 31 3.401 0.180 1.394 1.00 0.00 O ATOM 552 CB ALA A 31 0.889 -1.009 3.372 1.00 0.00 C ATOM 0 H ALA A 31 0.963 1.223 2.027 1.00 0.00 H new ATOM 0 HA ALA A 31 2.428 0.110 4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.282 -1.971 3.701 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.113 -0.678 4.063 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.465 -1.112 2.373 1.00 0.00 H new ATOM 558 N LYS A 32 3.788 -1.455 2.781 1.00 0.00 N ATOM 559 CA LYS A 32 4.794 -2.039 2.007 1.00 0.00 C ATOM 560 C LYS A 32 4.804 -3.461 2.371 1.00 0.00 C ATOM 561 O LYS A 32 5.103 -3.822 3.510 1.00 0.00 O ATOM 562 CB LYS A 32 6.185 -1.353 2.113 1.00 0.00 C ATOM 563 CG LYS A 32 6.804 -1.241 3.499 1.00 0.00 C ATOM 564 CD LYS A 32 8.201 -0.636 3.412 1.00 0.00 C ATOM 565 CE LYS A 32 9.140 -1.536 2.611 1.00 0.00 C ATOM 566 NZ LYS A 32 10.463 -0.929 2.391 1.00 0.00 N ATOM 0 H LYS A 32 3.633 -1.927 3.672 1.00 0.00 H new ATOM 0 HA LYS A 32 4.573 -1.906 0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.880 -1.900 1.476 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.098 -0.348 1.700 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.173 -0.623 4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.856 -2.227 3.961 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.147 0.347 2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.601 -0.489 4.415 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.263 -2.483 3.136 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.684 -1.762 1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.058 -1.583 1.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.353 -0.038 1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.914 -0.737 3.308 1.00 0.00 H new ATOM 580 N ALA A 33 4.318 -4.225 1.486 1.00 0.00 N ATOM 581 CA ALA A 33 4.224 -5.636 1.656 1.00 0.00 C ATOM 582 C ALA A 33 5.613 -6.221 1.793 1.00 0.00 C ATOM 583 O ALA A 33 6.418 -6.185 0.859 1.00 0.00 O ATOM 584 CB ALA A 33 3.401 -6.247 0.517 1.00 0.00 C ATOM 0 H ALA A 33 3.960 -3.891 0.591 1.00 0.00 H new ATOM 0 HA ALA A 33 3.692 -5.881 2.575 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.334 -7.326 0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.399 -5.818 0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.884 -6.032 -0.436 1.00 0.00 H new ATOM 590 N CYS A 34 5.920 -6.662 2.983 1.00 0.00 N ATOM 591 CA CYS A 34 7.212 -7.186 3.259 1.00 0.00 C ATOM 592 C CYS A 34 7.185 -8.607 3.147 1.00 0.00 C ATOM 593 O CYS A 34 6.139 -9.246 3.397 1.00 0.00 O ATOM 594 CB CYS A 34 7.721 -6.903 4.686 1.00 0.00 C ATOM 595 SG CYS A 34 9.373 -7.727 5.073 1.00 0.00 S ATOM 0 H CYS A 34 5.280 -6.665 3.777 1.00 0.00 H new ATOM 0 HA CYS A 34 7.870 -6.697 2.540 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.821 -5.826 4.821 1.00 0.00 H new ATOM 0 HB3 CYS A 34 6.976 -7.246 5.404 1.00 0.00 H new ATOM 600 N CYS A 35 8.327 -9.117 2.784 1.00 0.00 N ATOM 601 CA CYS A 35 8.609 -10.482 2.903 1.00 0.00 C ATOM 602 C CYS A 35 7.694 -11.284 1.936 1.00 0.00 C ATOM 603 O CYS A 35 6.983 -10.699 1.103 1.00 0.00 O ATOM 604 CB CYS A 35 8.355 -10.857 4.401 1.00 0.00 C ATOM 605 SG CYS A 35 9.025 -9.688 5.765 1.00 0.00 S ATOM 0 H CYS A 35 9.091 -8.567 2.391 1.00 0.00 H new ATOM 0 HA CYS A 35 9.638 -10.720 2.633 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.278 -10.947 4.542 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.783 -11.845 4.572 1.00 0.00 H new ATOM 610 N ASP A 36 7.760 -12.579 1.971 1.00 0.00 N ATOM 611 CA ASP A 36 6.799 -13.358 1.210 1.00 0.00 C ATOM 612 C ASP A 36 5.476 -13.252 1.922 1.00 0.00 C ATOM 613 O ASP A 36 5.369 -13.514 3.128 1.00 0.00 O ATOM 614 CB ASP A 36 7.209 -14.846 0.964 1.00 0.00 C ATOM 615 CG ASP A 36 7.096 -15.776 2.169 1.00 0.00 C ATOM 616 OD1 ASP A 36 8.048 -15.862 2.968 1.00 0.00 O ATOM 617 OD2 ASP A 36 6.056 -16.462 2.321 1.00 0.00 O ATOM 0 H ASP A 36 8.445 -13.119 2.500 1.00 0.00 H new ATOM 0 HA ASP A 36 6.744 -12.944 0.203 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.589 -15.246 0.162 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.240 -14.865 0.610 1.00 0.00 H new ATOM 622 N VAL A 37 4.510 -12.749 1.233 1.00 0.00 N ATOM 623 CA VAL A 37 3.214 -12.577 1.805 1.00 0.00 C ATOM 624 C VAL A 37 2.351 -13.723 1.369 1.00 0.00 C ATOM 625 O VAL A 37 2.672 -14.383 0.363 1.00 0.00 O ATOM 626 CB VAL A 37 2.559 -11.213 1.443 1.00 0.00 C ATOM 627 CG1 VAL A 37 3.525 -10.063 1.656 1.00 0.00 C ATOM 628 CG2 VAL A 37 1.991 -11.195 0.049 1.00 0.00 C ATOM 0 H VAL A 37 4.592 -12.446 0.263 1.00 0.00 H new ATOM 0 HA VAL A 37 3.318 -12.567 2.890 1.00 0.00 H new ATOM 0 HB VAL A 37 1.719 -11.081 2.125 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.037 -9.124 1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.831 -10.034 2.702 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.403 -10.204 1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.547 -10.220 -0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.787 -11.385 -0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.227 -11.967 -0.043 1.00 0.00 H new ATOM 638 N LYS A 38 1.347 -14.029 2.151 1.00 0.00 N ATOM 639 CA LYS A 38 0.432 -15.118 1.835 1.00 0.00 C ATOM 640 C LYS A 38 -0.231 -14.844 0.494 1.00 0.00 C ATOM 641 O LYS A 38 0.067 -15.522 -0.511 1.00 0.00 O ATOM 642 CB LYS A 38 -0.608 -15.288 2.940 1.00 0.00 C ATOM 643 CG LYS A 38 -0.020 -15.280 4.343 1.00 0.00 C ATOM 644 CD LYS A 38 1.103 -16.304 4.520 1.00 0.00 C ATOM 645 CE LYS A 38 1.722 -16.195 5.907 1.00 0.00 C ATOM 646 NZ LYS A 38 2.922 -17.037 6.055 1.00 0.00 N ATOM 0 H LYS A 38 1.134 -13.540 3.020 1.00 0.00 H new ATOM 0 HA LYS A 38 0.991 -16.051 1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.344 -14.488 2.860 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.140 -16.227 2.784 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.364 -14.284 4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.810 -15.486 5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.711 -17.310 4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.869 -16.144 3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.984 -15.156 6.104 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.984 -16.485 6.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.306 -16.928 7.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.669 -18.033 5.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.639 -16.745 5.360 1.00 0.00 H new ATOM 660 N GLY A 39 -1.085 -13.843 0.461 1.00 0.00 N ATOM 661 CA GLY A 39 -1.640 -13.410 -0.793 1.00 0.00 C ATOM 662 C GLY A 39 -2.570 -14.423 -1.414 1.00 0.00 C ATOM 663 O GLY A 39 -2.460 -14.699 -2.609 1.00 0.00 O ATOM 0 H GLY A 39 -1.404 -13.323 1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.181 -12.476 -0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.828 -13.198 -1.488 1.00 0.00 H new ATOM 667 N GLY A 40 -3.407 -15.016 -0.594 1.00 0.00 N ATOM 668 CA GLY A 40 -4.337 -16.052 -1.012 1.00 0.00 C ATOM 669 C GLY A 40 -5.338 -15.643 -2.101 1.00 0.00 C ATOM 670 O GLY A 40 -4.966 -15.349 -3.231 1.00 0.00 O ATOM 0 H GLY A 40 -3.465 -14.792 0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.764 -16.906 -1.373 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.895 -16.389 -0.138 1.00 0.00 H new ATOM 674 N LYS A 41 -6.596 -15.654 -1.779 1.00 0.00 N ATOM 675 CA LYS A 41 -7.610 -15.414 -2.777 1.00 0.00 C ATOM 676 C LYS A 41 -8.132 -13.974 -2.747 1.00 0.00 C ATOM 677 O LYS A 41 -8.128 -13.280 -3.768 1.00 0.00 O ATOM 678 CB LYS A 41 -8.727 -16.439 -2.644 1.00 0.00 C ATOM 679 CG LYS A 41 -9.668 -16.491 -3.816 1.00 0.00 C ATOM 680 CD LYS A 41 -10.585 -17.688 -3.710 1.00 0.00 C ATOM 681 CE LYS A 41 -11.414 -17.858 -4.963 1.00 0.00 C ATOM 682 NZ LYS A 41 -10.563 -17.976 -6.172 1.00 0.00 N ATOM 0 H LYS A 41 -6.950 -15.825 -0.838 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.153 -15.537 -3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.284 -17.425 -2.506 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.300 -16.218 -1.743 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.259 -15.576 -3.856 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.099 -16.543 -4.744 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.994 -18.587 -3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.243 -17.569 -2.849 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.038 -18.747 -4.869 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.086 -17.007 -5.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.098 -18.449 -6.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.279 -17.028 -6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.715 -18.534 -5.946 1.00 0.00 H new ATOM 696 N ASN A 42 -8.562 -13.517 -1.581 1.00 0.00 N ATOM 697 CA ASN A 42 -9.105 -12.149 -1.449 1.00 0.00 C ATOM 698 C ASN A 42 -8.003 -11.171 -1.098 1.00 0.00 C ATOM 699 O ASN A 42 -8.239 -9.966 -0.930 1.00 0.00 O ATOM 700 CB ASN A 42 -10.252 -12.049 -0.414 1.00 0.00 C ATOM 701 CG ASN A 42 -9.813 -12.186 1.038 1.00 0.00 C ATOM 702 OD1 ASN A 42 -8.827 -12.859 1.363 1.00 0.00 O ATOM 703 ND2 ASN A 42 -10.547 -11.555 1.926 1.00 0.00 N ATOM 0 H ASN A 42 -8.552 -14.056 -0.715 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.529 -11.891 -2.420 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.753 -11.089 -0.539 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.988 -12.823 -0.631 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.310 -11.612 2.916 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.354 -11.008 1.625 1.00 0.00 H new ATOM 710 N GLU A 43 -6.804 -11.678 -1.035 1.00 0.00 N ATOM 711 CA GLU A 43 -5.670 -10.885 -0.690 1.00 0.00 C ATOM 712 C GLU A 43 -5.074 -10.310 -1.939 1.00 0.00 C ATOM 713 O GLU A 43 -5.310 -10.819 -3.038 1.00 0.00 O ATOM 714 CB GLU A 43 -4.625 -11.720 0.032 1.00 0.00 C ATOM 715 CG GLU A 43 -5.018 -12.166 1.422 1.00 0.00 C ATOM 716 CD GLU A 43 -4.026 -13.143 1.986 1.00 0.00 C ATOM 717 OE1 GLU A 43 -2.933 -12.740 2.406 1.00 0.00 O ATOM 718 OE2 GLU A 43 -4.328 -14.354 1.995 1.00 0.00 O ATOM 0 H GLU A 43 -6.590 -12.657 -1.223 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.992 -10.084 -0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.407 -12.603 -0.569 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.702 -11.144 0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.089 -11.298 2.078 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.006 -12.625 1.393 1.00 0.00 H new ATOM 725 N LEU A 44 -4.324 -9.258 -1.768 1.00 0.00 N ATOM 726 CA LEU A 44 -3.730 -8.529 -2.865 1.00 0.00 C ATOM 727 C LEU A 44 -2.724 -9.405 -3.594 1.00 0.00 C ATOM 728 O LEU A 44 -2.102 -10.307 -3.012 1.00 0.00 O ATOM 729 CB LEU A 44 -3.006 -7.283 -2.311 1.00 0.00 C ATOM 730 CG LEU A 44 -3.063 -5.970 -3.114 1.00 0.00 C ATOM 731 CD1 LEU A 44 -2.451 -4.845 -2.307 1.00 0.00 C ATOM 732 CD2 LEU A 44 -2.347 -6.088 -4.432 1.00 0.00 C ATOM 0 H LEU A 44 -4.102 -8.873 -0.850 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.514 -8.231 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.411 -7.081 -1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.956 -7.543 -2.180 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.112 -5.755 -3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.495 -3.920 -2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.005 -4.721 -1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.412 -5.083 -2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.411 -5.140 -4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.300 -6.336 -4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.811 -6.874 -5.029 1.00 0.00 H new ATOM 744 N SER A 45 -2.595 -9.174 -4.846 1.00 0.00 N ATOM 745 CA SER A 45 -1.539 -9.773 -5.604 1.00 0.00 C ATOM 746 C SER A 45 -0.350 -8.829 -5.509 1.00 0.00 C ATOM 747 O SER A 45 -0.144 -7.954 -6.364 1.00 0.00 O ATOM 748 CB SER A 45 -1.940 -10.016 -7.064 1.00 0.00 C ATOM 749 OG SER A 45 -3.108 -10.830 -7.166 1.00 0.00 O ATOM 0 H SER A 45 -3.213 -8.566 -5.384 1.00 0.00 H new ATOM 0 HA SER A 45 -1.296 -10.757 -5.202 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.120 -9.060 -7.555 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.116 -10.496 -7.592 1.00 0.00 H new ATOM 0 HG SER A 45 -3.334 -10.961 -8.111 1.00 0.00 H new ATOM 755 N PHE A 46 0.322 -8.934 -4.407 1.00 0.00 N ATOM 756 CA PHE A 46 1.439 -8.109 -4.076 1.00 0.00 C ATOM 757 C PHE A 46 2.529 -8.981 -3.538 1.00 0.00 C ATOM 758 O PHE A 46 2.281 -10.153 -3.224 1.00 0.00 O ATOM 759 CB PHE A 46 1.050 -6.989 -3.064 1.00 0.00 C ATOM 760 CG PHE A 46 0.498 -7.417 -1.708 1.00 0.00 C ATOM 761 CD1 PHE A 46 0.049 -8.702 -1.445 1.00 0.00 C ATOM 762 CD2 PHE A 46 0.432 -6.505 -0.703 1.00 0.00 C ATOM 763 CE1 PHE A 46 -0.434 -9.042 -0.206 1.00 0.00 C ATOM 764 CE2 PHE A 46 -0.049 -6.841 0.535 1.00 0.00 C ATOM 765 CZ PHE A 46 -0.477 -8.106 0.782 1.00 0.00 C ATOM 0 H PHE A 46 0.100 -9.622 -3.687 1.00 0.00 H new ATOM 0 HA PHE A 46 1.789 -7.598 -4.973 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.933 -6.375 -2.888 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.308 -6.349 -3.541 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.080 -9.447 -2.227 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.766 -5.494 -0.884 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.778 -10.048 -0.016 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.088 -6.097 1.317 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.851 -8.369 1.760 1.00 0.00 H new ATOM 775 N LYS A 47 3.699 -8.435 -3.420 1.00 0.00 N ATOM 776 CA LYS A 47 4.862 -9.171 -3.022 1.00 0.00 C ATOM 777 C LYS A 47 5.777 -8.326 -2.143 1.00 0.00 C ATOM 778 O LYS A 47 5.445 -7.225 -1.746 1.00 0.00 O ATOM 779 CB LYS A 47 5.627 -9.706 -4.269 1.00 0.00 C ATOM 780 CG LYS A 47 4.897 -10.806 -5.031 1.00 0.00 C ATOM 781 CD LYS A 47 4.680 -12.030 -4.158 1.00 0.00 C ATOM 782 CE LYS A 47 3.852 -13.090 -4.859 1.00 0.00 C ATOM 783 NZ LYS A 47 4.548 -13.681 -6.022 1.00 0.00 N ATOM 0 H LYS A 47 3.878 -7.447 -3.601 1.00 0.00 H new ATOM 0 HA LYS A 47 4.532 -10.025 -2.431 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.817 -8.875 -4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.598 -10.085 -3.950 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.935 -10.432 -5.382 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.473 -11.084 -5.914 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.646 -12.451 -3.878 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.182 -11.733 -3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.604 -13.879 -4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.911 -12.651 -5.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.952 -14.422 -6.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.732 -12.941 -6.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.450 -14.096 -5.713 1.00 0.00 H new ATOM 797 N GLN A 48 6.900 -8.875 -1.874 1.00 0.00 N ATOM 798 CA GLN A 48 7.936 -8.332 -1.056 1.00 0.00 C ATOM 799 C GLN A 48 8.532 -7.140 -1.737 1.00 0.00 C ATOM 800 O GLN A 48 9.000 -7.215 -2.890 1.00 0.00 O ATOM 801 CB GLN A 48 9.020 -9.399 -0.790 1.00 0.00 C ATOM 802 CG GLN A 48 10.228 -8.897 -0.022 1.00 0.00 C ATOM 803 CD GLN A 48 11.201 -10.003 0.310 1.00 0.00 C ATOM 804 OE1 GLN A 48 10.816 -11.165 0.487 1.00 0.00 O ATOM 805 NE2 GLN A 48 12.451 -9.665 0.405 1.00 0.00 N ATOM 0 H GLN A 48 7.147 -9.792 -2.247 1.00 0.00 H new ATOM 0 HA GLN A 48 7.517 -8.024 -0.098 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.571 -10.223 -0.236 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.356 -9.802 -1.745 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.737 -8.134 -0.610 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.896 -8.420 0.900 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.730 -8.696 0.252 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.154 -10.368 0.633 1.00 0.00 H new ATOM 814 N GLY A 49 8.448 -6.052 -1.067 1.00 0.00 N ATOM 815 CA GLY A 49 9.001 -4.829 -1.556 1.00 0.00 C ATOM 816 C GLY A 49 7.990 -4.061 -2.347 1.00 0.00 C ATOM 817 O GLY A 49 8.307 -3.025 -2.936 1.00 0.00 O ATOM 0 H GLY A 49 7.993 -5.976 -0.158 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.350 -4.223 -0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.870 -5.042 -2.179 1.00 0.00 H new ATOM 821 N GLU A 50 6.773 -4.574 -2.379 1.00 0.00 N ATOM 822 CA GLU A 50 5.709 -3.924 -3.061 1.00 0.00 C ATOM 823 C GLU A 50 5.192 -2.748 -2.276 1.00 0.00 C ATOM 824 O GLU A 50 4.802 -2.862 -1.096 1.00 0.00 O ATOM 825 CB GLU A 50 4.599 -4.896 -3.429 1.00 0.00 C ATOM 826 CG GLU A 50 4.899 -5.729 -4.657 1.00 0.00 C ATOM 827 CD GLU A 50 5.376 -4.902 -5.822 1.00 0.00 C ATOM 828 OE1 GLU A 50 4.649 -4.001 -6.279 1.00 0.00 O ATOM 829 OE2 GLU A 50 6.524 -5.132 -6.279 1.00 0.00 O ATOM 0 H GLU A 50 6.512 -5.451 -1.929 1.00 0.00 H new ATOM 0 HA GLU A 50 6.109 -3.535 -3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.417 -5.562 -2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.679 -4.336 -3.597 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.658 -6.472 -4.410 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.002 -6.275 -4.948 1.00 0.00 H new ATOM 836 N GLN A 51 5.159 -1.643 -2.938 1.00 0.00 N ATOM 837 CA GLN A 51 4.791 -0.417 -2.362 1.00 0.00 C ATOM 838 C GLN A 51 3.353 -0.215 -2.658 1.00 0.00 C ATOM 839 O GLN A 51 2.942 0.151 -3.752 1.00 0.00 O ATOM 840 CB GLN A 51 5.638 0.729 -2.915 1.00 0.00 C ATOM 841 CG GLN A 51 7.135 0.488 -2.797 1.00 0.00 C ATOM 842 CD GLN A 51 7.965 1.693 -3.184 1.00 0.00 C ATOM 843 OE1 GLN A 51 7.550 2.838 -3.004 1.00 0.00 O ATOM 844 NE2 GLN A 51 9.109 1.464 -3.750 1.00 0.00 N ATOM 0 H GLN A 51 5.397 -1.577 -3.928 1.00 0.00 H new ATOM 0 HA GLN A 51 4.962 -0.431 -1.286 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.385 0.885 -3.964 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.383 1.647 -2.386 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.371 0.206 -1.771 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.412 -0.355 -3.431 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.428 0.505 -3.886 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.690 2.243 -4.059 1.00 0.00 H new ATOM 853 N ILE A 52 2.631 -0.569 -1.712 1.00 0.00 N ATOM 854 CA ILE A 52 1.195 -0.494 -1.696 1.00 0.00 C ATOM 855 C ILE A 52 0.660 0.607 -0.778 1.00 0.00 C ATOM 856 O ILE A 52 1.356 1.119 0.070 1.00 0.00 O ATOM 857 CB ILE A 52 0.615 -1.821 -1.243 1.00 0.00 C ATOM 858 CG1 ILE A 52 1.152 -2.177 0.102 1.00 0.00 C ATOM 859 CG2 ILE A 52 0.967 -2.909 -2.215 1.00 0.00 C ATOM 860 CD1 ILE A 52 0.584 -3.413 0.613 1.00 0.00 C ATOM 0 H ILE A 52 3.016 -0.952 -0.848 1.00 0.00 H new ATOM 0 HA ILE A 52 0.889 -0.256 -2.715 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.469 -1.722 -1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.236 -2.275 0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.942 -1.367 0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.543 -3.853 -1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.563 -2.664 -3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.051 -3.001 -2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.006 -3.629 1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.498 -3.308 0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.817 -4.230 -0.070 1.00 0.00 H new ATOM 872 N GLU A 53 -0.540 1.010 -0.998 1.00 0.00 N ATOM 873 CA GLU A 53 -1.178 1.962 -0.109 1.00 0.00 C ATOM 874 C GLU A 53 -2.441 1.329 0.442 1.00 0.00 C ATOM 875 O GLU A 53 -3.125 0.641 -0.296 1.00 0.00 O ATOM 876 CB GLU A 53 -1.574 3.234 -0.846 1.00 0.00 C ATOM 877 CG GLU A 53 -0.483 3.984 -1.575 1.00 0.00 C ATOM 878 CD GLU A 53 -1.045 5.213 -2.255 1.00 0.00 C ATOM 879 OE1 GLU A 53 -1.945 5.072 -3.101 1.00 0.00 O ATOM 880 OE2 GLU A 53 -0.598 6.348 -1.966 1.00 0.00 O ATOM 0 H GLU A 53 -1.115 0.705 -1.783 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.474 2.219 0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.347 2.977 -1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.026 3.914 -0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.298 4.275 -0.872 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.018 3.333 -2.315 1.00 0.00 H new ATOM 887 N ILE A 54 -2.750 1.521 1.723 1.00 0.00 N ATOM 888 CA ILE A 54 -4.034 0.987 2.230 1.00 0.00 C ATOM 889 C ILE A 54 -5.076 2.097 2.436 1.00 0.00 C ATOM 890 O ILE A 54 -4.802 3.156 3.029 1.00 0.00 O ATOM 891 CB ILE A 54 -3.971 0.022 3.481 1.00 0.00 C ATOM 892 CG1 ILE A 54 -3.872 0.762 4.805 1.00 0.00 C ATOM 893 CG2 ILE A 54 -2.800 -0.938 3.364 1.00 0.00 C ATOM 894 CD1 ILE A 54 -2.606 1.498 4.984 1.00 0.00 C ATOM 0 H ILE A 54 -2.172 2.013 2.405 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.352 0.330 1.421 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.912 -0.528 3.478 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.703 1.463 4.881 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.983 0.046 5.620 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.777 -1.592 4.236 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.912 -1.540 2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.870 -0.372 3.310 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.611 2.000 5.952 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.770 0.800 4.941 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.501 2.239 4.192 1.00 0.00 H new ATOM 906 N ILE A 55 -6.250 1.841 1.936 1.00 0.00 N ATOM 907 CA ILE A 55 -7.347 2.798 1.917 1.00 0.00 C ATOM 908 C ILE A 55 -8.399 2.432 2.970 1.00 0.00 C ATOM 909 O ILE A 55 -9.024 3.299 3.573 1.00 0.00 O ATOM 910 CB ILE A 55 -8.034 2.837 0.492 1.00 0.00 C ATOM 911 CG1 ILE A 55 -7.117 3.401 -0.615 1.00 0.00 C ATOM 912 CG2 ILE A 55 -9.358 3.573 0.494 1.00 0.00 C ATOM 913 CD1 ILE A 55 -5.985 2.492 -1.034 1.00 0.00 C ATOM 0 H ILE A 55 -6.489 0.942 1.517 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.933 3.781 2.143 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.229 1.790 0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.726 3.625 -1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.696 4.345 -0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.780 3.566 -0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.047 3.081 1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.201 4.603 0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.399 2.977 -1.815 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.346 2.287 -0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.392 1.555 -1.415 1.00 0.00 H new ATOM 925 N ARG A 56 -8.591 1.165 3.190 1.00 0.00 N ATOM 926 CA ARG A 56 -9.612 0.732 4.115 1.00 0.00 C ATOM 927 C ARG A 56 -8.995 0.051 5.312 1.00 0.00 C ATOM 928 O ARG A 56 -8.308 -0.961 5.170 1.00 0.00 O ATOM 929 CB ARG A 56 -10.609 -0.189 3.412 1.00 0.00 C ATOM 930 CG ARG A 56 -11.691 -0.746 4.313 1.00 0.00 C ATOM 931 CD ARG A 56 -12.621 -1.679 3.559 1.00 0.00 C ATOM 932 NE ARG A 56 -13.376 -0.977 2.519 1.00 0.00 N ATOM 933 CZ ARG A 56 -14.103 -1.560 1.565 1.00 0.00 C ATOM 934 NH1 ARG A 56 -14.091 -2.879 1.406 1.00 0.00 N ATOM 935 NH2 ARG A 56 -14.812 -0.802 0.746 1.00 0.00 N ATOM 0 H ARG A 56 -8.062 0.413 2.748 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.151 1.609 4.472 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.080 0.360 2.597 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.064 -1.020 2.964 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.233 -1.282 5.144 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.267 0.075 4.741 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.040 -2.482 3.106 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.315 -2.144 4.260 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.343 0.042 2.525 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.520 -3.461 2.019 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.653 -3.309 0.671 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.797 0.213 0.849 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.373 -1.232 0.011 1.00 0.00 H new ATOM 949 N ILE A 57 -9.237 0.613 6.473 1.00 0.00 N ATOM 950 CA ILE A 57 -8.747 0.080 7.728 1.00 0.00 C ATOM 951 C ILE A 57 -9.927 -0.645 8.385 1.00 0.00 C ATOM 952 O ILE A 57 -10.817 -0.001 8.963 1.00 0.00 O ATOM 953 CB ILE A 57 -8.268 1.255 8.658 1.00 0.00 C ATOM 954 CG1 ILE A 57 -7.229 2.150 7.957 1.00 0.00 C ATOM 955 CG2 ILE A 57 -7.709 0.749 9.971 1.00 0.00 C ATOM 956 CD1 ILE A 57 -5.948 1.454 7.561 1.00 0.00 C ATOM 0 H ILE A 57 -9.787 1.466 6.577 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.905 -0.593 7.567 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.153 1.854 8.872 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.684 2.577 7.063 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.983 2.981 8.618 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.391 1.594 10.581 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.478 0.188 10.502 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.855 0.100 9.777 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.282 2.167 7.075 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.463 1.051 8.450 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.174 0.641 6.871 1.00 0.00 H new ATOM 968 N THR A 58 -9.988 -1.953 8.235 1.00 0.00 N ATOM 969 CA THR A 58 -11.123 -2.709 8.719 1.00 0.00 C ATOM 970 C THR A 58 -10.766 -4.011 9.429 1.00 0.00 C ATOM 971 O THR A 58 -9.849 -4.722 9.034 1.00 0.00 O ATOM 972 CB THR A 58 -12.109 -2.999 7.577 1.00 0.00 C ATOM 973 OG1 THR A 58 -11.395 -3.329 6.362 1.00 0.00 O ATOM 974 CG2 THR A 58 -13.041 -1.819 7.346 1.00 0.00 C ATOM 0 H THR A 58 -9.265 -2.513 7.782 1.00 0.00 H new ATOM 0 HA THR A 58 -11.586 -2.070 9.471 1.00 0.00 H new ATOM 0 HB THR A 58 -12.717 -3.856 7.866 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.727 -4.021 6.553 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.728 -2.052 6.532 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.609 -1.621 8.255 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.455 -0.938 7.085 1.00 0.00 H new ATOM 1037 N GLY A 63 -11.387 -8.846 8.303 1.00 0.00 N ATOM 1038 CA GLY A 63 -10.245 -8.659 9.188 1.00 0.00 C ATOM 1039 C GLY A 63 -8.989 -8.310 8.429 1.00 0.00 C ATOM 1040 O GLY A 63 -7.883 -8.684 8.821 1.00 0.00 O ATOM 0 HA2 GLY A 63 -10.467 -7.867 9.903 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.079 -9.570 9.763 1.00 0.00 H new ATOM 1044 N LYS A 64 -9.163 -7.626 7.318 1.00 0.00 N ATOM 1045 CA LYS A 64 -8.069 -7.277 6.456 1.00 0.00 C ATOM 1046 C LYS A 64 -8.186 -5.832 6.078 1.00 0.00 C ATOM 1047 O LYS A 64 -9.280 -5.236 6.160 1.00 0.00 O ATOM 1048 CB LYS A 64 -8.099 -8.102 5.170 1.00 0.00 C ATOM 1049 CG LYS A 64 -8.125 -9.598 5.347 1.00 0.00 C ATOM 1050 CD LYS A 64 -6.874 -10.119 6.025 1.00 0.00 C ATOM 1051 CE LYS A 64 -6.926 -11.625 6.180 1.00 0.00 C ATOM 1052 NZ LYS A 64 -8.077 -12.069 6.995 1.00 0.00 N ATOM 0 H LYS A 64 -10.072 -7.298 6.992 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.139 -7.473 6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.976 -7.809 4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.224 -7.841 4.574 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.998 -9.877 5.937 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.233 -10.075 4.373 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.997 -9.840 5.441 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.766 -9.653 7.004 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.983 -12.087 5.194 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.002 -11.972 6.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.936 -13.058 7.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.156 -11.468 7.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.949 -11.994 6.434 1.00 0.00 H new ATOM 1066 N TRP A 65 -7.100 -5.285 5.646 1.00 0.00 N ATOM 1067 CA TRP A 65 -7.060 -3.933 5.182 1.00 0.00 C ATOM 1068 C TRP A 65 -7.062 -3.917 3.690 1.00 0.00 C ATOM 1069 O TRP A 65 -6.467 -4.773 3.068 1.00 0.00 O ATOM 1070 CB TRP A 65 -5.834 -3.215 5.718 1.00 0.00 C ATOM 1071 CG TRP A 65 -5.951 -2.851 7.160 1.00 0.00 C ATOM 1072 CD1 TRP A 65 -6.995 -3.115 7.994 1.00 0.00 C ATOM 1073 CD2 TRP A 65 -4.999 -2.137 7.929 1.00 0.00 C ATOM 1074 NE1 TRP A 65 -6.758 -2.596 9.227 1.00 0.00 N ATOM 1075 CE2 TRP A 65 -5.525 -1.994 9.221 1.00 0.00 C ATOM 1076 CE3 TRP A 65 -3.750 -1.603 7.648 1.00 0.00 C ATOM 1077 CZ2 TRP A 65 -4.839 -1.336 10.233 1.00 0.00 C ATOM 1078 CZ3 TRP A 65 -3.073 -0.953 8.645 1.00 0.00 C ATOM 1079 CH2 TRP A 65 -3.614 -0.820 9.924 1.00 0.00 C ATOM 0 H TRP A 65 -6.202 -5.767 5.603 1.00 0.00 H new ATOM 0 HA TRP A 65 -7.943 -3.409 5.548 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.959 -3.850 5.580 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -5.666 -2.310 5.134 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.885 -3.660 7.715 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.392 -2.646 10.025 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.320 -1.698 6.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -5.257 -1.237 11.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.099 -0.534 8.437 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -3.052 -0.298 10.685 1.00 0.00 H new ATOM 1090 N LEU A 66 -7.747 -2.983 3.120 1.00 0.00 N ATOM 1091 CA LEU A 66 -7.808 -2.881 1.687 1.00 0.00 C ATOM 1092 C LEU A 66 -6.665 -2.024 1.208 1.00 0.00 C ATOM 1093 O LEU A 66 -6.598 -0.824 1.517 1.00 0.00 O ATOM 1094 CB LEU A 66 -9.208 -2.375 1.223 1.00 0.00 C ATOM 1095 CG LEU A 66 -9.468 -2.112 -0.290 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -8.917 -0.763 -0.733 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -8.882 -3.225 -1.150 1.00 0.00 C ATOM 0 H LEU A 66 -8.278 -2.271 3.622 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.692 -3.864 1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.946 -3.103 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.412 -1.446 1.755 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.549 -2.096 -0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.119 -0.618 -1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.396 0.031 -0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.841 -0.735 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.079 -3.014 -2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.806 -3.283 -0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.342 -4.175 -0.878 1.00 0.00 H new ATOM 1109 N GLY A 67 -5.773 -2.643 0.500 1.00 0.00 N ATOM 1110 CA GLY A 67 -4.635 -1.985 -0.033 1.00 0.00 C ATOM 1111 C GLY A 67 -4.670 -1.989 -1.541 1.00 0.00 C ATOM 1112 O GLY A 67 -5.580 -2.552 -2.140 1.00 0.00 O ATOM 0 H GLY A 67 -5.821 -3.637 0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.599 -0.958 0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.728 -2.479 0.315 1.00 0.00 H new ATOM 1116 N ARG A 68 -3.694 -1.384 -2.133 1.00 0.00 N ATOM 1117 CA ARG A 68 -3.534 -1.309 -3.564 1.00 0.00 C ATOM 1118 C ARG A 68 -2.062 -1.192 -3.873 1.00 0.00 C ATOM 1119 O ARG A 68 -1.359 -0.460 -3.193 1.00 0.00 O ATOM 1120 CB ARG A 68 -4.288 -0.101 -4.161 1.00 0.00 C ATOM 1121 CG ARG A 68 -3.792 1.285 -3.704 1.00 0.00 C ATOM 1122 CD ARG A 68 -4.589 2.409 -4.350 1.00 0.00 C ATOM 1123 NE ARG A 68 -4.212 3.741 -3.852 1.00 0.00 N ATOM 1124 CZ ARG A 68 -5.059 4.774 -3.706 1.00 0.00 C ATOM 1125 NH1 ARG A 68 -6.304 4.698 -4.167 1.00 0.00 N ATOM 1126 NH2 ARG A 68 -4.631 5.890 -3.143 1.00 0.00 N ATOM 0 H ARG A 68 -2.952 -0.907 -1.621 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.954 -2.210 -4.011 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.218 -0.152 -5.248 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.344 -0.192 -3.905 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.870 1.360 -2.619 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.737 1.395 -3.956 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.443 2.376 -5.430 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.651 2.246 -4.167 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.235 3.892 -3.599 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.623 3.850 -4.636 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.940 5.487 -4.051 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.665 5.962 -2.824 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.267 6.679 -3.028 1.00 0.00 H new ATOM 1140 N THR A 69 -1.585 -1.926 -4.844 1.00 0.00 N ATOM 1141 CA THR A 69 -0.207 -1.816 -5.259 1.00 0.00 C ATOM 1142 C THR A 69 0.000 -0.515 -6.010 1.00 0.00 C ATOM 1143 O THR A 69 -0.980 0.151 -6.390 1.00 0.00 O ATOM 1144 CB THR A 69 0.213 -3.000 -6.164 1.00 0.00 C ATOM 1145 OG1 THR A 69 -0.801 -3.269 -7.146 1.00 0.00 O ATOM 1146 CG2 THR A 69 0.502 -4.248 -5.364 1.00 0.00 C ATOM 0 H THR A 69 -2.132 -2.611 -5.366 1.00 0.00 H new ATOM 0 HA THR A 69 0.412 -1.835 -4.362 1.00 0.00 H new ATOM 0 HB THR A 69 1.134 -2.708 -6.669 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.597 -4.111 -7.604 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.793 -5.053 -6.038 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.313 -4.051 -4.663 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.391 -4.542 -4.812 1.00 0.00 H new ATOM 1154 N ALA A 70 1.245 -0.169 -6.260 1.00 0.00 N ATOM 1155 CA ALA A 70 1.573 1.011 -7.038 1.00 0.00 C ATOM 1156 C ALA A 70 1.201 0.748 -8.501 1.00 0.00 C ATOM 1157 O ALA A 70 1.085 1.665 -9.318 1.00 0.00 O ATOM 1158 CB ALA A 70 3.054 1.329 -6.886 1.00 0.00 C ATOM 0 H ALA A 70 2.056 -0.694 -5.932 1.00 0.00 H new ATOM 0 HA ALA A 70 1.012 1.875 -6.683 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.298 2.216 -7.471 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.281 1.514 -5.836 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.646 0.486 -7.242 1.00 0.00 H new ATOM 1164 N ARG A 71 1.038 -0.535 -8.791 1.00 0.00 N ATOM 1165 CA ARG A 71 0.582 -1.055 -10.060 1.00 0.00 C ATOM 1166 C ARG A 71 -0.926 -0.817 -10.213 1.00 0.00 C ATOM 1167 O ARG A 71 -1.435 -0.666 -11.326 1.00 0.00 O ATOM 1168 CB ARG A 71 0.872 -2.545 -10.038 1.00 0.00 C ATOM 1169 CG ARG A 71 0.516 -3.333 -11.269 1.00 0.00 C ATOM 1170 CD ARG A 71 0.949 -4.772 -11.067 1.00 0.00 C ATOM 1171 NE ARG A 71 2.394 -4.851 -10.778 1.00 0.00 N ATOM 1172 CZ ARG A 71 2.955 -5.539 -9.763 1.00 0.00 C ATOM 1173 NH1 ARG A 71 2.198 -6.140 -8.863 1.00 0.00 N ATOM 1174 NH2 ARG A 71 4.269 -5.556 -9.616 1.00 0.00 N ATOM 0 H ARG A 71 1.231 -1.271 -8.112 1.00 0.00 H new ATOM 0 HA ARG A 71 1.083 -0.564 -10.894 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.937 -2.679 -9.847 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.339 -2.980 -9.192 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.557 -3.284 -11.452 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.008 -2.909 -12.144 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.385 -5.214 -10.246 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.720 -5.354 -11.960 1.00 0.00 H new ATOM 0 HE ARG A 71 3.022 -4.341 -11.399 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.182 -6.086 -8.933 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.630 -6.659 -8.098 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.862 -5.047 -10.272 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.689 -6.078 -8.847 1.00 0.00 H new ATOM 1188 N GLY A 72 -1.626 -0.728 -9.090 1.00 0.00 N ATOM 1189 CA GLY A 72 -3.048 -0.455 -9.124 1.00 0.00 C ATOM 1190 C GLY A 72 -3.936 -1.641 -8.740 1.00 0.00 C ATOM 1191 O GLY A 72 -5.155 -1.581 -8.921 1.00 0.00 O ATOM 0 H GLY A 72 -1.233 -0.840 -8.155 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.261 0.374 -8.450 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.317 -0.127 -10.128 1.00 0.00 H new ATOM 1195 N SER A 73 -3.366 -2.691 -8.187 1.00 0.00 N ATOM 1196 CA SER A 73 -4.149 -3.832 -7.807 1.00 0.00 C ATOM 1197 C SER A 73 -4.594 -3.666 -6.389 1.00 0.00 C ATOM 1198 O SER A 73 -3.777 -3.524 -5.497 1.00 0.00 O ATOM 1199 CB SER A 73 -3.348 -5.122 -7.898 1.00 0.00 C ATOM 1200 OG SER A 73 -2.770 -5.315 -9.178 1.00 0.00 O ATOM 0 H SER A 73 -2.368 -2.772 -7.994 1.00 0.00 H new ATOM 0 HA SER A 73 -4.997 -3.896 -8.489 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.560 -5.110 -7.145 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.997 -5.966 -7.666 1.00 0.00 H new ATOM 0 HG SER A 73 -2.265 -6.155 -9.186 1.00 0.00 H new ATOM 1206 N TYR A 74 -5.854 -3.626 -6.200 1.00 0.00 N ATOM 1207 CA TYR A 74 -6.424 -3.582 -4.878 1.00 0.00 C ATOM 1208 C TYR A 74 -6.536 -4.973 -4.313 1.00 0.00 C ATOM 1209 O TYR A 74 -6.756 -5.940 -5.060 1.00 0.00 O ATOM 1210 CB TYR A 74 -7.779 -2.890 -4.879 1.00 0.00 C ATOM 1211 CG TYR A 74 -7.707 -1.400 -5.094 1.00 0.00 C ATOM 1212 CD1 TYR A 74 -7.529 -0.853 -6.359 1.00 0.00 C ATOM 1213 CD2 TYR A 74 -7.817 -0.539 -4.022 1.00 0.00 C ATOM 1214 CE1 TYR A 74 -7.465 0.511 -6.534 1.00 0.00 C ATOM 1215 CE2 TYR A 74 -7.756 0.822 -4.188 1.00 0.00 C ATOM 1216 CZ TYR A 74 -7.582 1.344 -5.442 1.00 0.00 C ATOM 1217 OH TYR A 74 -7.501 2.707 -5.603 1.00 0.00 O ATOM 0 H TYR A 74 -6.541 -3.622 -6.954 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.758 -2.998 -4.243 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.399 -3.330 -5.660 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.276 -3.086 -3.929 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.440 -1.506 -7.215 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.954 -0.945 -3.031 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.324 0.926 -7.521 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.845 1.478 -3.334 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.396 3.070 -5.770 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.325 -5.091 -3.037 1.00 0.00 N ATOM 1228 CA GLY A 75 -6.442 -6.380 -2.397 1.00 0.00 C ATOM 1229 C GLY A 75 -6.487 -6.278 -0.911 1.00 0.00 C ATOM 1230 O GLY A 75 -6.033 -5.277 -0.348 1.00 0.00 O ATOM 0 H GLY A 75 -6.073 -4.322 -2.417 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.345 -6.877 -2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.598 -7.005 -2.690 1.00 0.00 H new ATOM 1234 N TYR A 76 -7.053 -7.281 -0.259 1.00 0.00 N ATOM 1235 CA TYR A 76 -7.032 -7.324 1.166 1.00 0.00 C ATOM 1236 C TYR A 76 -5.677 -7.753 1.647 1.00 0.00 C ATOM 1237 O TYR A 76 -5.053 -8.647 1.094 1.00 0.00 O ATOM 1238 CB TYR A 76 -8.158 -8.175 1.760 1.00 0.00 C ATOM 1239 CG TYR A 76 -9.469 -7.424 1.884 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -9.497 -6.186 2.503 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -10.664 -7.946 1.415 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -10.664 -5.478 2.652 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -11.850 -7.235 1.561 1.00 0.00 C ATOM 1244 CZ TYR A 76 -11.837 -6.000 2.181 1.00 0.00 C ATOM 1245 OH TYR A 76 -13.005 -5.281 2.325 1.00 0.00 O ATOM 0 H TYR A 76 -7.527 -8.066 -0.706 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.222 -6.314 1.528 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.308 -9.055 1.135 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.855 -8.531 2.745 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.576 -5.766 2.879 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.674 -8.912 0.933 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.656 -4.514 3.139 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.778 -7.646 1.191 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.750 -5.787 1.938 1.00 0.00 H new ATOM 1255 N ILE A 77 -5.204 -7.068 2.608 1.00 0.00 N ATOM 1256 CA ILE A 77 -3.909 -7.280 3.135 1.00 0.00 C ATOM 1257 C ILE A 77 -4.012 -7.757 4.544 1.00 0.00 C ATOM 1258 O ILE A 77 -4.847 -7.251 5.317 1.00 0.00 O ATOM 1259 CB ILE A 77 -3.140 -5.942 3.165 1.00 0.00 C ATOM 1260 CG1 ILE A 77 -3.062 -5.332 1.788 1.00 0.00 C ATOM 1261 CG2 ILE A 77 -1.750 -6.158 3.687 1.00 0.00 C ATOM 1262 CD1 ILE A 77 -2.584 -3.925 1.779 1.00 0.00 C ATOM 0 H ILE A 77 -5.719 -6.318 3.069 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.397 -8.013 2.512 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.680 -5.260 3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.396 -5.936 1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.049 -5.373 1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.216 -5.208 3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.800 -6.564 4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.223 -6.859 3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.555 -3.557 0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.262 -3.307 2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.584 -3.878 2.210 1.00 0.00 H new ATOM 1274 N LYS A 78 -3.198 -8.722 4.895 1.00 0.00 N ATOM 1275 CA LYS A 78 -3.079 -9.052 6.276 1.00 0.00 C ATOM 1276 C LYS A 78 -2.150 -8.016 6.840 1.00 0.00 C ATOM 1277 O LYS A 78 -1.129 -7.726 6.236 1.00 0.00 O ATOM 1278 CB LYS A 78 -2.528 -10.457 6.487 1.00 0.00 C ATOM 1279 CG LYS A 78 -3.348 -11.520 5.799 1.00 0.00 C ATOM 1280 CD LYS A 78 -2.897 -12.912 6.155 1.00 0.00 C ATOM 1281 CE LYS A 78 -3.661 -13.929 5.313 1.00 0.00 C ATOM 1282 NZ LYS A 78 -3.383 -15.330 5.674 1.00 0.00 N ATOM 0 H LYS A 78 -2.626 -9.274 4.256 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.051 -9.052 6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.504 -10.499 6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.490 -10.670 7.555 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.396 -11.400 6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.282 -11.384 4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.826 -13.013 5.982 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.068 -13.101 7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.730 -13.742 5.416 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.411 -13.778 4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.166 -15.874 4.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.570 -15.367 6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.216 -15.740 6.142 1.00 0.00 H new ATOM 1296 N THR A 79 -2.468 -7.481 7.964 1.00 0.00 N ATOM 1297 CA THR A 79 -1.753 -6.347 8.526 1.00 0.00 C ATOM 1298 C THR A 79 -0.296 -6.706 8.873 1.00 0.00 C ATOM 1299 O THR A 79 0.573 -5.848 8.975 1.00 0.00 O ATOM 1300 CB THR A 79 -2.505 -5.846 9.765 1.00 0.00 C ATOM 1301 OG1 THR A 79 -2.625 -6.921 10.717 1.00 0.00 O ATOM 1302 CG2 THR A 79 -3.896 -5.417 9.362 1.00 0.00 C ATOM 0 H THR A 79 -3.241 -7.809 8.543 1.00 0.00 H new ATOM 0 HA THR A 79 -1.711 -5.554 7.779 1.00 0.00 H new ATOM 0 HB THR A 79 -1.960 -5.010 10.204 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.104 -6.603 11.511 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.435 -5.060 10.239 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.831 -4.616 8.625 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.427 -6.265 8.930 1.00 0.00 H new ATOM 1310 N THR A 80 -0.050 -7.982 8.971 1.00 0.00 N ATOM 1311 CA THR A 80 1.233 -8.512 9.299 1.00 0.00 C ATOM 1312 C THR A 80 2.069 -8.699 8.021 1.00 0.00 C ATOM 1313 O THR A 80 3.294 -8.767 8.065 1.00 0.00 O ATOM 1314 CB THR A 80 1.051 -9.859 10.033 1.00 0.00 C ATOM 1315 OG1 THR A 80 2.315 -10.450 10.364 1.00 0.00 O ATOM 1316 CG2 THR A 80 0.220 -10.805 9.186 1.00 0.00 C ATOM 0 H THR A 80 -0.760 -8.698 8.820 1.00 0.00 H new ATOM 0 HA THR A 80 1.762 -7.818 9.952 1.00 0.00 H new ATOM 0 HB THR A 80 0.525 -9.668 10.968 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.167 -11.300 10.829 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.097 -11.752 9.712 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.759 -10.363 9.001 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.724 -10.981 8.236 1.00 0.00 H new ATOM 1324 N ALA A 81 1.392 -8.747 6.887 1.00 0.00 N ATOM 1325 CA ALA A 81 2.032 -8.914 5.603 1.00 0.00 C ATOM 1326 C ALA A 81 2.680 -7.611 5.163 1.00 0.00 C ATOM 1327 O ALA A 81 3.554 -7.601 4.313 1.00 0.00 O ATOM 1328 CB ALA A 81 1.002 -9.363 4.575 1.00 0.00 C ATOM 0 H ALA A 81 0.376 -8.670 6.836 1.00 0.00 H new ATOM 0 HA ALA A 81 2.809 -9.674 5.688 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.486 -9.489 3.606 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.565 -10.311 4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.217 -8.611 4.494 1.00 0.00 H new ATOM 1334 N VAL A 82 2.275 -6.506 5.769 1.00 0.00 N ATOM 1335 CA VAL A 82 2.794 -5.205 5.355 1.00 0.00 C ATOM 1336 C VAL A 82 3.312 -4.380 6.487 1.00 0.00 C ATOM 1337 O VAL A 82 2.880 -4.521 7.626 1.00 0.00 O ATOM 1338 CB VAL A 82 1.768 -4.359 4.556 1.00 0.00 C ATOM 1339 CG1 VAL A 82 1.402 -5.069 3.308 1.00 0.00 C ATOM 1340 CG2 VAL A 82 0.511 -4.069 5.357 1.00 0.00 C ATOM 0 H VAL A 82 1.602 -6.478 6.535 1.00 0.00 H new ATOM 0 HA VAL A 82 3.627 -5.462 4.701 1.00 0.00 H new ATOM 0 HB VAL A 82 2.242 -3.404 4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.681 -4.473 2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.295 -5.223 2.702 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.961 -6.035 3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.175 -3.474 4.754 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.031 -5.008 5.634 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.774 -3.516 6.259 1.00 0.00 H new ATOM 1350 N GLU A 83 4.252 -3.545 6.159 1.00 0.00 N ATOM 1351 CA GLU A 83 4.792 -2.583 7.053 1.00 0.00 C ATOM 1352 C GLU A 83 4.107 -1.264 6.769 1.00 0.00 C ATOM 1353 O GLU A 83 4.314 -0.639 5.722 1.00 0.00 O ATOM 1354 CB GLU A 83 6.302 -2.461 6.871 1.00 0.00 C ATOM 1355 CG GLU A 83 7.057 -3.753 7.127 1.00 0.00 C ATOM 1356 CD GLU A 83 6.851 -4.278 8.528 1.00 0.00 C ATOM 1357 OE1 GLU A 83 7.485 -3.760 9.468 1.00 0.00 O ATOM 1358 OE2 GLU A 83 6.073 -5.234 8.715 1.00 0.00 O ATOM 0 H GLU A 83 4.673 -3.519 5.230 1.00 0.00 H new ATOM 0 HA GLU A 83 4.619 -2.885 8.086 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.510 -2.125 5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.679 -1.691 7.545 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.734 -4.507 6.409 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.121 -3.587 6.958 1.00 0.00 H new ATOM 1365 N ILE A 84 3.246 -0.912 7.642 1.00 0.00 N ATOM 1366 CA ILE A 84 2.448 0.288 7.546 1.00 0.00 C ATOM 1367 C ILE A 84 3.242 1.475 8.072 1.00 0.00 C ATOM 1368 O ILE A 84 3.721 1.459 9.213 1.00 0.00 O ATOM 1369 CB ILE A 84 1.148 0.096 8.370 1.00 0.00 C ATOM 1370 CG1 ILE A 84 0.272 -0.987 7.732 1.00 0.00 C ATOM 1371 CG2 ILE A 84 0.372 1.403 8.564 1.00 0.00 C ATOM 1372 CD1 ILE A 84 -0.332 -0.584 6.430 1.00 0.00 C ATOM 0 H ILE A 84 3.055 -1.458 8.482 1.00 0.00 H new ATOM 0 HA ILE A 84 2.188 0.481 6.505 1.00 0.00 H new ATOM 0 HB ILE A 84 1.440 -0.232 9.368 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.872 -1.884 7.581 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.526 -1.251 8.426 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.528 1.209 9.147 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.998 2.123 9.091 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.093 1.809 7.591 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.938 -1.402 6.041 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.960 0.294 6.577 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.460 -0.349 5.719 1.00 0.00 H new ATOM 1384 N ASP A 85 3.404 2.496 7.261 1.00 0.00 N ATOM 1385 CA ASP A 85 4.162 3.633 7.706 1.00 0.00 C ATOM 1386 C ASP A 85 3.281 4.697 8.285 1.00 0.00 C ATOM 1387 O ASP A 85 2.094 4.874 7.907 1.00 0.00 O ATOM 1388 CB ASP A 85 5.089 4.249 6.637 1.00 0.00 C ATOM 1389 CG ASP A 85 4.383 5.045 5.562 1.00 0.00 C ATOM 1390 OD1 ASP A 85 4.088 6.241 5.773 1.00 0.00 O ATOM 1391 OD2 ASP A 85 4.158 4.499 4.488 1.00 0.00 O ATOM 0 H ASP A 85 3.030 2.560 6.314 1.00 0.00 H new ATOM 0 HA ASP A 85 4.812 3.231 8.483 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.811 4.898 7.134 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.655 3.447 6.162 1.00 0.00 H new