USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 403 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 Set 1.1: A 41 GLN : amide:sc= -6.14! C(o=-22!,f=-19!) USER MOD Set 1.2: A 45 ASN : amide:sc= -15.8! C(o=-22!,f=-19!) USER MOD Set 2.1: A 18 GLN : amide:sc= -0.22 K(o=0.69,f=-0.57) USER MOD Set 2.2: A 62 TYR OH : rot -120:sc= 0.906 USER MOD Single : A 17 THR OG1 : rot -32:sc= -2.84! USER MOD Single : A 22 MET CE :methyl -164:sc= -5.94! (180deg=-6.5!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -155:sc= -0.0709 (180deg=-0.383) USER MOD Single : A 31 ASN : amide:sc= -2.13! C(o=-2.1!,f=-2.2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -104:sc= -0.0489 (180deg=-1.55!) USER MOD ----------------------------------------------------------------- ATOM 261 N THR A 17 0.635 10.178 -2.756 1.00 0.00 N ATOM 262 CA THR A 17 1.778 10.185 -3.654 1.00 0.00 C ATOM 263 C THR A 17 2.461 8.816 -3.657 1.00 0.00 C ATOM 264 O THR A 17 2.336 8.054 -2.700 1.00 0.00 O ATOM 265 CB THR A 17 2.705 11.326 -3.231 1.00 0.00 C ATOM 266 OG1 THR A 17 2.738 11.237 -1.809 1.00 0.00 O ATOM 267 CG2 THR A 17 2.099 12.704 -3.504 1.00 0.00 C ATOM 0 HA THR A 17 1.471 10.363 -4.685 1.00 0.00 H new ATOM 0 HB THR A 17 3.655 11.236 -3.758 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.879 10.898 -1.482 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.797 13.478 -3.186 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.902 12.810 -4.571 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.166 12.807 -2.950 1.00 0.00 H new ATOM 275 N GLN A 18 3.170 8.547 -4.744 1.00 0.00 N ATOM 276 CA GLN A 18 3.873 7.284 -4.885 1.00 0.00 C ATOM 277 C GLN A 18 4.795 7.053 -3.686 1.00 0.00 C ATOM 278 O GLN A 18 4.982 5.918 -3.251 1.00 0.00 O ATOM 279 CB GLN A 18 4.658 7.236 -6.197 1.00 0.00 C ATOM 280 CG GLN A 18 3.714 7.162 -7.399 1.00 0.00 C ATOM 281 CD GLN A 18 2.965 5.828 -7.426 1.00 0.00 C ATOM 282 OE1 GLN A 18 3.384 4.840 -6.847 1.00 0.00 O ATOM 283 NE2 GLN A 18 1.837 5.855 -8.130 1.00 0.00 N ATOM 0 H GLN A 18 3.272 9.183 -5.535 1.00 0.00 H new ATOM 0 HA GLN A 18 3.136 6.482 -4.912 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.289 8.121 -6.280 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.321 6.371 -6.197 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.999 7.984 -7.356 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.283 7.283 -8.321 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.544 6.717 -8.590 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.265 5.014 -8.209 1.00 0.00 H new ATOM 292 N GLY A 19 5.348 8.149 -3.185 1.00 0.00 N ATOM 293 CA GLY A 19 6.246 8.081 -2.045 1.00 0.00 C ATOM 294 C GLY A 19 5.472 7.812 -0.753 1.00 0.00 C ATOM 295 O GLY A 19 5.964 7.119 0.136 1.00 0.00 O ATOM 0 H GLY A 19 5.191 9.089 -3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.982 7.292 -2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.797 9.017 -1.955 1.00 0.00 H new ATOM 299 N GLU A 20 4.274 8.373 -0.691 1.00 0.00 N ATOM 300 CA GLU A 20 3.427 8.203 0.478 1.00 0.00 C ATOM 301 C GLU A 20 2.999 6.740 0.614 1.00 0.00 C ATOM 302 O GLU A 20 2.964 6.200 1.718 1.00 0.00 O ATOM 303 CB GLU A 20 2.209 9.127 0.412 1.00 0.00 C ATOM 304 CG GLU A 20 2.585 10.557 0.803 1.00 0.00 C ATOM 305 CD GLU A 20 1.421 11.518 0.550 1.00 0.00 C ATOM 306 OE1 GLU A 20 0.708 11.294 -0.451 1.00 0.00 O ATOM 307 OE2 GLU A 20 1.272 12.455 1.364 1.00 0.00 O ATOM 0 H GLU A 20 3.869 8.946 -1.431 1.00 0.00 H new ATOM 0 HA GLU A 20 4.002 8.477 1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.796 9.119 -0.597 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.430 8.757 1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.865 10.588 1.856 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.456 10.877 0.232 1.00 0.00 H new ATOM 314 N LEU A 21 2.684 6.141 -0.525 1.00 0.00 N ATOM 315 CA LEU A 21 2.259 4.751 -0.547 1.00 0.00 C ATOM 316 C LEU A 21 3.369 3.874 0.036 1.00 0.00 C ATOM 317 O LEU A 21 3.095 2.917 0.758 1.00 0.00 O ATOM 318 CB LEU A 21 1.830 4.344 -1.958 1.00 0.00 C ATOM 319 CG LEU A 21 0.770 3.244 -2.045 1.00 0.00 C ATOM 320 CD1 LEU A 21 0.953 2.216 -0.927 1.00 0.00 C ATOM 321 CD2 LEU A 21 -0.639 3.839 -2.052 1.00 0.00 C ATOM 0 H LEU A 21 2.714 6.592 -1.439 1.00 0.00 H new ATOM 0 HA LEU A 21 1.379 4.611 0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.451 5.228 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.714 4.014 -2.504 1.00 0.00 H new ATOM 0 HG LEU A 21 0.901 2.718 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.187 1.445 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.939 1.758 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.864 2.711 0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.373 3.036 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.799 4.406 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.751 4.500 -2.912 1.00 0.00 H new ATOM 333 N MET A 22 4.600 4.231 -0.301 1.00 0.00 N ATOM 334 CA MET A 22 5.753 3.489 0.179 1.00 0.00 C ATOM 335 C MET A 22 5.698 3.313 1.698 1.00 0.00 C ATOM 336 O MET A 22 5.659 2.189 2.196 1.00 0.00 O ATOM 337 CB MET A 22 7.034 4.232 -0.204 1.00 0.00 C ATOM 338 CG MET A 22 7.144 4.389 -1.722 1.00 0.00 C ATOM 339 SD MET A 22 8.859 4.353 -2.216 1.00 0.00 S ATOM 340 CE MET A 22 9.232 2.633 -1.916 1.00 0.00 C ATOM 0 H MET A 22 4.824 5.025 -0.901 1.00 0.00 H new ATOM 0 HA MET A 22 5.744 2.502 -0.282 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.044 5.214 0.268 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.900 3.688 0.173 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.597 3.588 -2.219 1.00 0.00 H new ATOM 0 HG3 MET A 22 6.687 5.328 -2.033 1.00 0.00 H new ATOM 0 HE1 MET A 22 10.313 2.493 -1.897 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.810 2.331 -0.958 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.801 2.023 -2.710 1.00 0.00 H new ATOM 350 N LYS A 23 5.697 4.442 2.392 1.00 0.00 N ATOM 351 CA LYS A 23 5.648 4.428 3.844 1.00 0.00 C ATOM 352 C LYS A 23 4.318 3.823 4.299 1.00 0.00 C ATOM 353 O LYS A 23 4.235 3.235 5.377 1.00 0.00 O ATOM 354 CB LYS A 23 5.910 5.827 4.403 1.00 0.00 C ATOM 355 CG LYS A 23 7.386 6.006 4.764 1.00 0.00 C ATOM 356 CD LYS A 23 7.643 5.627 6.224 1.00 0.00 C ATOM 357 CE LYS A 23 9.057 6.025 6.653 1.00 0.00 C ATOM 358 NZ LYS A 23 9.130 6.172 8.124 1.00 0.00 N ATOM 0 H LYS A 23 5.729 5.372 1.975 1.00 0.00 H new ATOM 0 HA LYS A 23 6.440 3.796 4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.618 6.577 3.668 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.293 5.991 5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.002 5.388 4.110 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.682 7.041 4.596 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.912 6.120 6.865 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.508 4.553 6.354 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.770 5.270 6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.339 6.962 6.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.096 6.442 8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.464 6.908 8.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.882 5.269 8.576 1.00 0.00 H new ATOM 372 N LEU A 24 3.310 3.988 3.455 1.00 0.00 N ATOM 373 CA LEU A 24 1.988 3.466 3.757 1.00 0.00 C ATOM 374 C LEU A 24 2.034 1.937 3.750 1.00 0.00 C ATOM 375 O LEU A 24 1.457 1.291 4.623 1.00 0.00 O ATOM 376 CB LEU A 24 0.948 4.054 2.800 1.00 0.00 C ATOM 377 CG LEU A 24 -0.212 4.809 3.452 1.00 0.00 C ATOM 378 CD1 LEU A 24 -0.969 5.647 2.421 1.00 0.00 C ATOM 379 CD2 LEU A 24 -1.137 3.850 4.203 1.00 0.00 C ATOM 0 H LEU A 24 3.382 4.476 2.562 1.00 0.00 H new ATOM 0 HA LEU A 24 1.677 3.772 4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.457 4.731 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.536 3.243 2.200 1.00 0.00 H new ATOM 0 HG LEU A 24 0.200 5.500 4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.788 6.173 2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.290 6.371 1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.369 4.995 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.953 4.412 4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.545 3.117 3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.573 3.336 4.982 1.00 0.00 H new ATOM 391 N ILE A 25 2.728 1.402 2.755 1.00 0.00 N ATOM 392 CA ILE A 25 2.857 -0.039 2.623 1.00 0.00 C ATOM 393 C ILE A 25 3.665 -0.584 3.802 1.00 0.00 C ATOM 394 O ILE A 25 3.288 -1.587 4.407 1.00 0.00 O ATOM 395 CB ILE A 25 3.442 -0.402 1.257 1.00 0.00 C ATOM 396 CG1 ILE A 25 2.333 -0.626 0.227 1.00 0.00 C ATOM 397 CG2 ILE A 25 4.378 -1.607 1.363 1.00 0.00 C ATOM 398 CD1 ILE A 25 2.915 -0.804 -1.176 1.00 0.00 C ATOM 0 H ILE A 25 3.206 1.941 2.033 1.00 0.00 H new ATOM 0 HA ILE A 25 1.877 -0.514 2.660 1.00 0.00 H new ATOM 0 HB ILE A 25 4.040 0.440 0.908 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.753 -1.508 0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.648 0.222 0.235 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.780 -1.843 0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.198 -1.372 2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.825 -2.465 1.745 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.105 -0.962 -1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.474 0.089 -1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.581 -1.667 -1.187 1.00 0.00 H new ATOM 410 N LYS A 26 4.762 0.100 4.094 1.00 0.00 N ATOM 411 CA LYS A 26 5.626 -0.303 5.190 1.00 0.00 C ATOM 412 C LYS A 26 4.872 -0.151 6.512 1.00 0.00 C ATOM 413 O LYS A 26 5.072 -0.933 7.439 1.00 0.00 O ATOM 414 CB LYS A 26 6.947 0.468 5.143 1.00 0.00 C ATOM 415 CG LYS A 26 7.906 -0.019 6.230 1.00 0.00 C ATOM 416 CD LYS A 26 8.946 1.052 6.564 1.00 0.00 C ATOM 417 CE LYS A 26 10.215 0.861 5.731 1.00 0.00 C ATOM 418 NZ LYS A 26 10.942 -0.353 6.163 1.00 0.00 N ATOM 0 H LYS A 26 5.072 0.931 3.590 1.00 0.00 H new ATOM 0 HA LYS A 26 5.894 -1.355 5.095 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.409 0.345 4.164 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.755 1.533 5.273 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.343 -0.277 7.127 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.408 -0.927 5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.528 2.041 6.376 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.193 1.007 7.625 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.955 0.780 4.676 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.860 1.734 5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.950 -0.257 5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.839 -0.472 7.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.549 -1.184 5.677 1.00 0.00 H new ATOM 432 N GLU A 27 4.019 0.862 6.556 1.00 0.00 N ATOM 433 CA GLU A 27 3.233 1.128 7.749 1.00 0.00 C ATOM 434 C GLU A 27 2.393 -0.098 8.115 1.00 0.00 C ATOM 435 O GLU A 27 2.239 -0.421 9.292 1.00 0.00 O ATOM 436 CB GLU A 27 2.349 2.362 7.560 1.00 0.00 C ATOM 437 CG GLU A 27 2.767 3.487 8.509 1.00 0.00 C ATOM 438 CD GLU A 27 1.743 4.624 8.496 1.00 0.00 C ATOM 439 OE1 GLU A 27 1.433 5.095 7.380 1.00 0.00 O ATOM 440 OE2 GLU A 27 1.294 4.996 9.601 1.00 0.00 O ATOM 0 H GLU A 27 3.855 1.509 5.784 1.00 0.00 H new ATOM 0 HA GLU A 27 3.917 1.335 8.572 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.417 2.708 6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.307 2.098 7.740 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.868 3.095 9.521 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.745 3.870 8.217 1.00 0.00 H new ATOM 447 N ILE A 28 1.871 -0.747 7.084 1.00 0.00 N ATOM 448 CA ILE A 28 1.051 -1.930 7.282 1.00 0.00 C ATOM 449 C ILE A 28 1.923 -3.065 7.822 1.00 0.00 C ATOM 450 O ILE A 28 1.484 -3.840 8.670 1.00 0.00 O ATOM 451 CB ILE A 28 0.304 -2.286 5.995 1.00 0.00 C ATOM 452 CG1 ILE A 28 -0.786 -1.256 5.691 1.00 0.00 C ATOM 453 CG2 ILE A 28 -0.255 -3.708 6.061 1.00 0.00 C ATOM 454 CD1 ILE A 28 -0.772 -0.864 4.212 1.00 0.00 C ATOM 0 H ILE A 28 2.000 -0.476 6.109 1.00 0.00 H new ATOM 0 HA ILE A 28 0.279 -1.738 8.028 1.00 0.00 H new ATOM 0 HB ILE A 28 1.014 -2.257 5.169 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.762 -1.665 5.953 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.636 -0.370 6.307 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.781 -3.936 5.134 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.564 -4.415 6.197 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.946 -3.789 6.900 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.556 -0.131 4.022 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.197 -0.433 3.959 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.946 -1.749 3.599 1.00 0.00 H new ATOM 466 N VAL A 29 3.142 -3.128 7.307 1.00 0.00 N ATOM 467 CA VAL A 29 4.080 -4.156 7.726 1.00 0.00 C ATOM 468 C VAL A 29 4.763 -3.718 9.023 1.00 0.00 C ATOM 469 O VAL A 29 5.485 -4.499 9.642 1.00 0.00 O ATOM 470 CB VAL A 29 5.070 -4.452 6.598 1.00 0.00 C ATOM 471 CG1 VAL A 29 5.552 -5.903 6.659 1.00 0.00 C ATOM 472 CG2 VAL A 29 4.457 -4.134 5.233 1.00 0.00 C ATOM 0 H VAL A 29 3.502 -2.484 6.603 1.00 0.00 H new ATOM 0 HA VAL A 29 3.557 -5.090 7.934 1.00 0.00 H new ATOM 0 HB VAL A 29 5.937 -3.805 6.734 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.255 -6.087 5.846 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.046 -6.082 7.614 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.699 -6.574 6.560 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.182 -4.353 4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.565 -4.743 5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.187 -3.079 5.192 1.00 0.00 H new ATOM 482 N GLU A 30 4.512 -2.472 9.395 1.00 0.00 N ATOM 483 CA GLU A 30 5.095 -1.921 10.607 1.00 0.00 C ATOM 484 C GLU A 30 4.442 -2.546 11.841 1.00 0.00 C ATOM 485 O GLU A 30 4.856 -2.280 12.969 1.00 0.00 O ATOM 486 CB GLU A 30 4.969 -0.397 10.632 1.00 0.00 C ATOM 487 CG GLU A 30 5.592 0.184 11.903 1.00 0.00 C ATOM 488 CD GLU A 30 6.480 1.387 11.578 1.00 0.00 C ATOM 489 OE1 GLU A 30 6.260 1.979 10.499 1.00 0.00 O ATOM 490 OE2 GLU A 30 7.357 1.688 12.415 1.00 0.00 O ATOM 0 H GLU A 30 3.913 -1.828 8.879 1.00 0.00 H new ATOM 0 HA GLU A 30 6.157 -2.165 10.620 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.460 0.026 9.756 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.918 -0.114 10.576 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.804 0.485 12.594 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.182 -0.582 12.406 1.00 0.00 H new ATOM 497 N ASN A 31 3.432 -3.365 11.587 1.00 0.00 N ATOM 498 CA ASN A 31 2.718 -4.030 12.663 1.00 0.00 C ATOM 499 C ASN A 31 2.037 -5.287 12.117 1.00 0.00 C ATOM 500 O ASN A 31 0.871 -5.543 12.411 1.00 0.00 O ATOM 501 CB ASN A 31 1.634 -3.122 13.248 1.00 0.00 C ATOM 502 CG ASN A 31 2.186 -1.725 13.536 1.00 0.00 C ATOM 503 OD1 ASN A 31 2.767 -1.460 14.575 1.00 0.00 O ATOM 504 ND2 ASN A 31 1.973 -0.847 12.559 1.00 0.00 N ATOM 0 H ASN A 31 3.091 -3.583 10.651 1.00 0.00 H new ATOM 0 HA ASN A 31 3.438 -4.280 13.442 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.799 -3.050 12.551 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.245 -3.560 14.167 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.303 0.113 12.655 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.479 -1.134 11.714 1.00 0.00 H new ATOM 511 N GLU A 32 2.796 -6.039 11.333 1.00 0.00 N ATOM 512 CA GLU A 32 2.281 -7.263 10.744 1.00 0.00 C ATOM 513 C GLU A 32 1.907 -8.263 11.840 1.00 0.00 C ATOM 514 O GLU A 32 1.649 -7.874 12.978 1.00 0.00 O ATOM 515 CB GLU A 32 3.292 -7.870 9.769 1.00 0.00 C ATOM 516 CG GLU A 32 4.491 -8.455 10.518 1.00 0.00 C ATOM 517 CD GLU A 32 4.685 -9.933 10.172 1.00 0.00 C ATOM 518 OE1 GLU A 32 4.532 -10.261 8.976 1.00 0.00 O ATOM 519 OE2 GLU A 32 4.982 -10.702 11.112 1.00 0.00 O ATOM 0 H GLU A 32 3.764 -5.824 11.092 1.00 0.00 H new ATOM 0 HA GLU A 32 1.381 -7.021 10.178 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.811 -8.650 9.179 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.632 -7.106 9.070 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.392 -7.897 10.263 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.342 -8.346 11.592 1.00 0.00 H new ATOM 526 N ASP A 33 1.889 -9.532 11.458 1.00 0.00 N ATOM 527 CA ASP A 33 1.550 -10.590 12.394 1.00 0.00 C ATOM 528 C ASP A 33 2.111 -11.918 11.880 1.00 0.00 C ATOM 529 O ASP A 33 2.442 -12.041 10.702 1.00 0.00 O ATOM 530 CB ASP A 33 0.034 -10.739 12.532 1.00 0.00 C ATOM 531 CG ASP A 33 -0.450 -11.157 13.922 1.00 0.00 C ATOM 532 OD1 ASP A 33 0.291 -10.879 14.889 1.00 0.00 O ATOM 533 OD2 ASP A 33 -1.551 -11.746 13.986 1.00 0.00 O ATOM 0 H ASP A 33 2.104 -9.851 10.513 1.00 0.00 H new ATOM 0 HA ASP A 33 1.976 -10.332 13.363 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.435 -9.790 12.271 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.311 -11.476 11.807 1.00 0.00 H new ATOM 538 N LYS A 34 2.200 -12.877 12.789 1.00 0.00 N ATOM 539 CA LYS A 34 2.715 -14.191 12.443 1.00 0.00 C ATOM 540 C LYS A 34 1.739 -14.881 11.487 1.00 0.00 C ATOM 541 O LYS A 34 2.047 -15.076 10.313 1.00 0.00 O ATOM 542 CB LYS A 34 3.014 -15.000 13.706 1.00 0.00 C ATOM 543 CG LYS A 34 4.485 -14.870 14.106 1.00 0.00 C ATOM 544 CD LYS A 34 4.621 -14.329 15.530 1.00 0.00 C ATOM 545 CE LYS A 34 5.671 -15.115 16.318 1.00 0.00 C ATOM 546 NZ LYS A 34 5.749 -14.624 17.712 1.00 0.00 N ATOM 0 H LYS A 34 1.924 -12.771 13.765 1.00 0.00 H new ATOM 0 HA LYS A 34 3.666 -14.101 11.918 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.380 -14.654 14.522 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.771 -16.049 13.536 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.972 -15.843 14.035 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.997 -14.205 13.410 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.899 -13.276 15.497 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.659 -14.389 16.039 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.419 -16.175 16.313 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.644 -15.017 15.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.466 -15.168 18.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.011 -13.618 17.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.824 -14.740 18.173 1.00 0.00 H new ATOM 560 N ARG A 35 0.581 -15.232 12.027 1.00 0.00 N ATOM 561 CA ARG A 35 -0.442 -15.896 11.238 1.00 0.00 C ATOM 562 C ARG A 35 -1.127 -14.894 10.305 1.00 0.00 C ATOM 563 O ARG A 35 -1.962 -15.274 9.486 1.00 0.00 O ATOM 564 CB ARG A 35 -1.495 -16.547 12.136 1.00 0.00 C ATOM 565 CG ARG A 35 -1.408 -18.073 12.067 1.00 0.00 C ATOM 566 CD ARG A 35 -2.761 -18.715 12.379 1.00 0.00 C ATOM 567 NE ARG A 35 -3.395 -19.192 11.129 1.00 0.00 N ATOM 568 CZ ARG A 35 -3.015 -20.294 10.468 1.00 0.00 C ATOM 569 NH1 ARG A 35 -2.003 -21.039 10.933 1.00 0.00 N ATOM 570 NH2 ARG A 35 -3.648 -20.652 9.342 1.00 0.00 N ATOM 0 H ARG A 35 0.329 -15.069 13.002 1.00 0.00 H new ATOM 0 HA ARG A 35 0.046 -16.672 10.649 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.354 -16.217 13.165 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.490 -16.222 11.831 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.078 -18.377 11.074 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.660 -18.430 12.775 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.627 -19.548 13.069 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.410 -17.992 12.873 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.169 -18.648 10.747 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.522 -20.767 11.790 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.714 -21.878 10.430 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.419 -20.086 8.988 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.359 -21.491 8.839 1.00 0.00 H new ATOM 584 N LYS A 36 -0.747 -13.634 10.461 1.00 0.00 N ATOM 585 CA LYS A 36 -1.313 -12.575 9.643 1.00 0.00 C ATOM 586 C LYS A 36 -0.196 -11.634 9.190 1.00 0.00 C ATOM 587 O LYS A 36 -0.003 -10.567 9.772 1.00 0.00 O ATOM 588 CB LYS A 36 -2.447 -11.869 10.391 1.00 0.00 C ATOM 589 CG LYS A 36 -3.804 -12.473 10.025 1.00 0.00 C ATOM 590 CD LYS A 36 -4.929 -11.456 10.226 1.00 0.00 C ATOM 591 CE LYS A 36 -6.157 -11.824 9.392 1.00 0.00 C ATOM 592 NZ LYS A 36 -7.216 -10.802 9.549 1.00 0.00 N ATOM 0 H LYS A 36 -0.054 -13.323 11.142 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.765 -12.990 8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.286 -11.952 11.466 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.441 -10.806 10.149 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.790 -12.805 8.987 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.991 -13.354 10.639 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.201 -11.413 11.281 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.580 -10.462 9.946 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.878 -11.909 8.342 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.535 -12.798 9.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.042 -11.068 8.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.494 -10.741 10.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.857 -9.879 9.232 1.00 0.00 H new ATOM 606 N PRO A 37 0.530 -12.074 8.127 1.00 0.00 N ATOM 607 CA PRO A 37 1.624 -11.282 7.589 1.00 0.00 C ATOM 608 C PRO A 37 1.095 -10.095 6.781 1.00 0.00 C ATOM 609 O PRO A 37 -0.060 -9.702 6.932 1.00 0.00 O ATOM 610 CB PRO A 37 2.439 -12.255 6.752 1.00 0.00 C ATOM 611 CG PRO A 37 1.522 -13.435 6.475 1.00 0.00 C ATOM 612 CD PRO A 37 0.331 -13.331 7.413 1.00 0.00 C ATOM 0 HA PRO A 37 2.241 -10.833 8.367 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.769 -11.790 5.823 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.335 -12.573 7.285 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.192 -13.426 5.436 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.051 -14.375 6.633 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.609 -13.328 6.861 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.294 -14.176 8.101 1.00 0.00 H new ATOM 620 N TYR A 38 1.967 -9.558 5.940 1.00 0.00 N ATOM 621 CA TYR A 38 1.603 -8.424 5.108 1.00 0.00 C ATOM 622 C TYR A 38 2.442 -8.390 3.829 1.00 0.00 C ATOM 623 O TYR A 38 3.114 -7.398 3.550 1.00 0.00 O ATOM 624 CB TYR A 38 1.908 -7.176 5.938 1.00 0.00 C ATOM 625 CG TYR A 38 0.746 -6.714 6.818 1.00 0.00 C ATOM 626 CD1 TYR A 38 -0.548 -6.770 6.339 1.00 0.00 C ATOM 627 CD2 TYR A 38 0.989 -6.241 8.091 1.00 0.00 C ATOM 628 CE1 TYR A 38 -1.642 -6.335 7.167 1.00 0.00 C ATOM 629 CE2 TYR A 38 -0.105 -5.806 8.920 1.00 0.00 C ATOM 630 CZ TYR A 38 -1.367 -5.874 8.417 1.00 0.00 C ATOM 631 OH TYR A 38 -2.400 -5.464 9.199 1.00 0.00 O ATOM 0 H TYR A 38 2.924 -9.887 5.817 1.00 0.00 H new ATOM 0 HA TYR A 38 0.555 -8.484 4.815 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.772 -7.376 6.571 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.186 -6.364 5.266 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.739 -7.140 5.343 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.001 -6.197 8.466 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.658 -6.374 6.804 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.072 -5.434 9.918 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.055 -5.162 10.065 1.00 0.00 H new ATOM 641 N SER A 39 2.377 -9.486 3.087 1.00 0.00 N ATOM 642 CA SER A 39 3.123 -9.594 1.845 1.00 0.00 C ATOM 643 C SER A 39 2.447 -8.761 0.754 1.00 0.00 C ATOM 644 O SER A 39 1.429 -8.116 1.002 1.00 0.00 O ATOM 645 CB SER A 39 3.244 -11.053 1.400 1.00 0.00 C ATOM 646 OG SER A 39 3.602 -11.912 2.479 1.00 0.00 O ATOM 0 H SER A 39 1.819 -10.307 3.322 1.00 0.00 H new ATOM 0 HA SER A 39 4.129 -9.210 2.016 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.296 -11.382 0.974 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.992 -11.131 0.611 1.00 0.00 H new ATOM 0 HG SER A 39 3.668 -12.835 2.155 1.00 0.00 H new ATOM 652 N ASP A 40 3.040 -8.802 -0.430 1.00 0.00 N ATOM 653 CA ASP A 40 2.507 -8.059 -1.560 1.00 0.00 C ATOM 654 C ASP A 40 1.001 -8.306 -1.663 1.00 0.00 C ATOM 655 O ASP A 40 0.251 -7.427 -2.083 1.00 0.00 O ATOM 656 CB ASP A 40 3.152 -8.513 -2.871 1.00 0.00 C ATOM 657 CG ASP A 40 3.455 -10.010 -2.958 1.00 0.00 C ATOM 658 OD1 ASP A 40 4.544 -10.397 -2.481 1.00 0.00 O ATOM 659 OD2 ASP A 40 2.592 -10.734 -3.499 1.00 0.00 O ATOM 0 H ASP A 40 3.884 -9.338 -0.632 1.00 0.00 H new ATOM 0 HA ASP A 40 2.721 -7.002 -1.400 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.492 -8.243 -3.696 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.081 -7.961 -3.012 1.00 0.00 H new ATOM 664 N GLN A 41 0.603 -9.508 -1.272 1.00 0.00 N ATOM 665 CA GLN A 41 -0.801 -9.882 -1.315 1.00 0.00 C ATOM 666 C GLN A 41 -1.608 -9.029 -0.335 1.00 0.00 C ATOM 667 O GLN A 41 -2.346 -8.135 -0.746 1.00 0.00 O ATOM 668 CB GLN A 41 -0.980 -11.373 -1.021 1.00 0.00 C ATOM 669 CG GLN A 41 -2.394 -11.666 -0.515 1.00 0.00 C ATOM 670 CD GLN A 41 -3.401 -11.658 -1.667 1.00 0.00 C ATOM 671 OE1 GLN A 41 -3.063 -11.856 -2.823 1.00 0.00 O ATOM 672 NE2 GLN A 41 -4.653 -11.420 -1.289 1.00 0.00 N ATOM 0 H GLN A 41 1.228 -10.235 -0.924 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.176 -9.696 -2.321 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.786 -11.951 -1.924 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.250 -11.691 -0.276 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.413 -12.636 -0.018 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.680 -10.921 0.228 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.867 -11.263 -0.304 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.399 -11.395 -1.984 1.00 0.00 H new ATOM 681 N GLU A 42 -1.441 -9.336 0.944 1.00 0.00 N ATOM 682 CA GLU A 42 -2.144 -8.608 1.986 1.00 0.00 C ATOM 683 C GLU A 42 -2.166 -7.112 1.667 1.00 0.00 C ATOM 684 O GLU A 42 -3.221 -6.550 1.379 1.00 0.00 O ATOM 685 CB GLU A 42 -1.516 -8.868 3.356 1.00 0.00 C ATOM 686 CG GLU A 42 -2.565 -8.781 4.466 1.00 0.00 C ATOM 687 CD GLU A 42 -2.270 -9.790 5.579 1.00 0.00 C ATOM 688 OE1 GLU A 42 -1.782 -10.888 5.235 1.00 0.00 O ATOM 689 OE2 GLU A 42 -2.540 -9.440 6.748 1.00 0.00 O ATOM 0 H GLU A 42 -0.829 -10.079 1.281 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.173 -8.966 2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.052 -9.854 3.366 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.725 -8.142 3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.580 -7.772 4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.555 -8.970 4.051 1.00 0.00 H new ATOM 696 N ILE A 43 -0.987 -6.509 1.729 1.00 0.00 N ATOM 697 CA ILE A 43 -0.857 -5.089 1.450 1.00 0.00 C ATOM 698 C ILE A 43 -1.706 -4.734 0.228 1.00 0.00 C ATOM 699 O ILE A 43 -2.485 -3.782 0.264 1.00 0.00 O ATOM 700 CB ILE A 43 0.616 -4.703 1.309 1.00 0.00 C ATOM 701 CG1 ILE A 43 1.166 -4.145 2.623 1.00 0.00 C ATOM 702 CG2 ILE A 43 0.820 -3.733 0.144 1.00 0.00 C ATOM 703 CD1 ILE A 43 2.595 -4.631 2.871 1.00 0.00 C ATOM 0 H ILE A 43 -0.114 -6.978 1.968 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.238 -4.500 2.285 1.00 0.00 H new ATOM 0 HB ILE A 43 1.184 -5.605 1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.149 -3.056 2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.525 -4.453 3.449 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.876 -3.475 0.066 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.492 -4.204 -0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.237 -2.828 0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.961 -4.219 3.811 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.605 -5.720 2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.238 -4.301 2.055 1.00 0.00 H new ATOM 715 N ALA A 44 -1.527 -5.518 -0.825 1.00 0.00 N ATOM 716 CA ALA A 44 -2.266 -5.297 -2.056 1.00 0.00 C ATOM 717 C ALA A 44 -3.767 -5.364 -1.764 1.00 0.00 C ATOM 718 O ALA A 44 -4.536 -4.540 -2.255 1.00 0.00 O ATOM 719 CB ALA A 44 -1.830 -6.323 -3.104 1.00 0.00 C ATOM 0 H ALA A 44 -0.881 -6.307 -0.851 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.052 -4.307 -2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.384 -6.158 -4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.763 -6.215 -3.297 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.032 -7.328 -2.735 1.00 0.00 H new ATOM 725 N ASN A 45 -4.138 -6.354 -0.964 1.00 0.00 N ATOM 726 CA ASN A 45 -5.532 -6.539 -0.601 1.00 0.00 C ATOM 727 C ASN A 45 -6.031 -5.297 0.140 1.00 0.00 C ATOM 728 O ASN A 45 -7.163 -4.861 -0.063 1.00 0.00 O ATOM 729 CB ASN A 45 -5.704 -7.743 0.327 1.00 0.00 C ATOM 730 CG ASN A 45 -4.866 -8.930 -0.153 1.00 0.00 C ATOM 731 OD1 ASN A 45 -4.538 -9.835 0.596 1.00 0.00 O ATOM 732 ND2 ASN A 45 -4.538 -8.874 -1.441 1.00 0.00 N ATOM 0 H ASN A 45 -3.497 -7.036 -0.558 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.100 -6.705 -1.517 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.408 -7.471 1.340 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.755 -8.028 0.367 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.979 -9.618 -1.858 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.846 -8.087 -2.012 1.00 0.00 H new ATOM 739 N ILE A 46 -5.161 -4.762 0.985 1.00 0.00 N ATOM 740 CA ILE A 46 -5.499 -3.578 1.757 1.00 0.00 C ATOM 741 C ILE A 46 -5.914 -2.454 0.805 1.00 0.00 C ATOM 742 O ILE A 46 -6.841 -1.700 1.096 1.00 0.00 O ATOM 743 CB ILE A 46 -4.347 -3.200 2.689 1.00 0.00 C ATOM 744 CG1 ILE A 46 -4.223 -4.198 3.842 1.00 0.00 C ATOM 745 CG2 ILE A 46 -4.496 -1.762 3.190 1.00 0.00 C ATOM 746 CD1 ILE A 46 -3.128 -3.772 4.822 1.00 0.00 C ATOM 0 H ILE A 46 -4.223 -5.127 1.152 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.352 -3.777 2.406 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.419 -3.249 2.120 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.176 -4.273 4.366 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.997 -5.189 3.447 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.664 -1.519 3.851 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.496 -1.079 2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.434 -1.662 3.736 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.061 -4.499 5.632 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.172 -3.721 4.300 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.369 -2.792 5.233 1.00 0.00 H new ATOM 758 N LEU A 47 -5.208 -2.379 -0.313 1.00 0.00 N ATOM 759 CA LEU A 47 -5.491 -1.360 -1.310 1.00 0.00 C ATOM 760 C LEU A 47 -6.975 -1.412 -1.678 1.00 0.00 C ATOM 761 O LEU A 47 -7.591 -0.379 -1.934 1.00 0.00 O ATOM 762 CB LEU A 47 -4.554 -1.509 -2.510 1.00 0.00 C ATOM 763 CG LEU A 47 -5.101 -2.310 -3.693 1.00 0.00 C ATOM 764 CD1 LEU A 47 -5.897 -1.411 -4.642 1.00 0.00 C ATOM 765 CD2 LEU A 47 -3.978 -3.055 -4.417 1.00 0.00 C ATOM 0 H LEU A 47 -4.440 -3.007 -0.551 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.297 -0.367 -0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.288 -0.513 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.633 -1.984 -2.170 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.790 -3.062 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.275 -2.005 -5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.734 -0.965 -4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.250 -0.622 -5.024 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.394 -3.616 -5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.247 -2.338 -4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.492 -3.743 -3.725 1.00 0.00 H new ATOM 777 N LYS A 48 -7.506 -2.626 -1.695 1.00 0.00 N ATOM 778 CA LYS A 48 -8.906 -2.826 -2.028 1.00 0.00 C ATOM 779 C LYS A 48 -9.775 -1.997 -1.080 1.00 0.00 C ATOM 780 O LYS A 48 -10.943 -1.741 -1.367 1.00 0.00 O ATOM 781 CB LYS A 48 -9.248 -4.317 -2.029 1.00 0.00 C ATOM 782 CG LYS A 48 -10.388 -4.617 -3.005 1.00 0.00 C ATOM 783 CD LYS A 48 -10.984 -6.002 -2.743 1.00 0.00 C ATOM 784 CE LYS A 48 -11.976 -5.961 -1.579 1.00 0.00 C ATOM 785 NZ LYS A 48 -11.946 -7.236 -0.827 1.00 0.00 N ATOM 0 H LYS A 48 -6.992 -3.481 -1.483 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.111 -2.474 -3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.367 -4.896 -2.305 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.533 -4.629 -1.024 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.165 -3.858 -2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.018 -4.564 -4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.486 -6.361 -3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.185 -6.709 -2.520 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.731 -5.134 -0.913 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.982 -5.778 -1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.625 -7.191 -0.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.202 -8.019 -1.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.990 -7.394 -0.450 1.00 0.00 H new ATOM 799 N GLU A 49 -9.171 -1.600 0.030 1.00 0.00 N ATOM 800 CA GLU A 49 -9.875 -0.804 1.022 1.00 0.00 C ATOM 801 C GLU A 49 -10.374 0.501 0.398 1.00 0.00 C ATOM 802 O GLU A 49 -11.118 1.250 1.030 1.00 0.00 O ATOM 803 CB GLU A 49 -8.985 -0.527 2.235 1.00 0.00 C ATOM 804 CG GLU A 49 -7.921 0.522 1.907 1.00 0.00 C ATOM 805 CD GLU A 49 -8.245 1.859 2.577 1.00 0.00 C ATOM 806 OE1 GLU A 49 -9.128 2.563 2.042 1.00 0.00 O ATOM 807 OE2 GLU A 49 -7.602 2.147 3.609 1.00 0.00 O ATOM 0 H GLU A 49 -8.202 -1.814 0.265 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.739 -1.372 1.369 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.597 -0.181 3.068 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.503 -1.451 2.555 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.944 0.171 2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.859 0.658 0.827 1.00 0.00 H new ATOM 885 N VAL A 54 -3.299 0.345 -5.473 1.00 0.00 N ATOM 886 CA VAL A 54 -2.026 -0.253 -5.837 1.00 0.00 C ATOM 887 C VAL A 54 -2.267 -1.398 -6.823 1.00 0.00 C ATOM 888 O VAL A 54 -3.092 -1.279 -7.728 1.00 0.00 O ATOM 889 CB VAL A 54 -1.277 -0.697 -4.578 1.00 0.00 C ATOM 890 CG1 VAL A 54 0.230 -0.766 -4.832 1.00 0.00 C ATOM 891 CG2 VAL A 54 -1.594 0.225 -3.399 1.00 0.00 C ATOM 0 HA VAL A 54 -1.391 0.478 -6.337 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.618 -1.700 -4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.738 -1.084 -3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.432 -1.481 -5.629 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.595 0.218 -5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.050 -0.112 -2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.294 1.244 -3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.665 0.201 -3.196 1.00 0.00 H new ATOM 901 N ALA A 55 -1.533 -2.481 -6.615 1.00 0.00 N ATOM 902 CA ALA A 55 -1.657 -3.646 -7.474 1.00 0.00 C ATOM 903 C ALA A 55 -0.479 -4.589 -7.222 1.00 0.00 C ATOM 904 O ALA A 55 0.659 -4.142 -7.083 1.00 0.00 O ATOM 905 CB ALA A 55 -1.742 -3.197 -8.935 1.00 0.00 C ATOM 0 H ALA A 55 -0.850 -2.576 -5.864 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.572 -4.194 -7.247 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.835 -4.071 -9.579 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.612 -2.554 -9.068 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.840 -2.646 -9.199 1.00 0.00 H new ATOM 911 N ARG A 56 -0.792 -5.875 -7.170 1.00 0.00 N ATOM 912 CA ARG A 56 0.227 -6.885 -6.937 1.00 0.00 C ATOM 913 C ARG A 56 1.546 -6.467 -7.589 1.00 0.00 C ATOM 914 O ARG A 56 2.608 -6.581 -6.978 1.00 0.00 O ATOM 915 CB ARG A 56 -0.204 -8.242 -7.497 1.00 0.00 C ATOM 916 CG ARG A 56 -0.711 -9.159 -6.382 1.00 0.00 C ATOM 917 CD ARG A 56 -2.238 -9.257 -6.404 1.00 0.00 C ATOM 918 NE ARG A 56 -2.657 -10.665 -6.231 1.00 0.00 N ATOM 919 CZ ARG A 56 -2.438 -11.630 -7.135 1.00 0.00 C ATOM 920 NH1 ARG A 56 -1.804 -11.345 -8.280 1.00 0.00 N ATOM 921 NH2 ARG A 56 -2.854 -12.881 -6.894 1.00 0.00 N ATOM 0 H ARG A 56 -1.737 -6.241 -7.285 1.00 0.00 H new ATOM 0 HA ARG A 56 0.363 -6.977 -5.859 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.988 -8.100 -8.241 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.637 -8.713 -8.006 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.278 -10.152 -6.498 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -0.381 -8.778 -5.415 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.662 -8.643 -5.609 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.622 -8.868 -7.347 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.143 -10.917 -5.370 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.487 -10.393 -8.464 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.638 -12.080 -8.967 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.337 -13.099 -6.023 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.687 -13.615 -7.582 1.00 0.00 H new ATOM 935 N ARG A 57 1.437 -5.993 -8.821 1.00 0.00 N ATOM 936 CA ARG A 57 2.609 -5.559 -9.563 1.00 0.00 C ATOM 937 C ARG A 57 3.307 -4.413 -8.828 1.00 0.00 C ATOM 938 O ARG A 57 4.495 -4.500 -8.520 1.00 0.00 O ATOM 939 CB ARG A 57 2.229 -5.096 -10.971 1.00 0.00 C ATOM 940 CG ARG A 57 3.418 -5.215 -11.926 1.00 0.00 C ATOM 941 CD ARG A 57 3.414 -4.080 -12.951 1.00 0.00 C ATOM 942 NE ARG A 57 2.346 -4.305 -13.951 1.00 0.00 N ATOM 943 CZ ARG A 57 1.956 -3.392 -14.852 1.00 0.00 C ATOM 944 NH1 ARG A 57 2.543 -2.188 -14.884 1.00 0.00 N ATOM 945 NH2 ARG A 57 0.978 -3.684 -15.721 1.00 0.00 N ATOM 0 H ARG A 57 0.555 -5.900 -9.325 1.00 0.00 H new ATOM 0 HA ARG A 57 3.285 -6.410 -9.643 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.398 -5.695 -11.343 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.887 -4.062 -10.938 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.348 -5.194 -11.358 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.381 -6.175 -12.441 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.258 -3.126 -12.448 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.383 -4.024 -13.448 1.00 0.00 H new ATOM 0 HE ARG A 57 1.878 -5.211 -13.955 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.287 -1.966 -14.223 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.246 -1.494 -15.570 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.531 -4.600 -15.697 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.681 -2.990 -16.407 1.00 0.00 H new ATOM 959 N THR A 58 2.539 -3.364 -8.568 1.00 0.00 N ATOM 960 CA THR A 58 3.070 -2.203 -7.874 1.00 0.00 C ATOM 961 C THR A 58 3.549 -2.590 -6.474 1.00 0.00 C ATOM 962 O THR A 58 4.588 -2.116 -6.017 1.00 0.00 O ATOM 963 CB THR A 58 1.988 -1.121 -7.869 1.00 0.00 C ATOM 964 OG1 THR A 58 2.219 -0.392 -9.072 1.00 0.00 O ATOM 965 CG2 THR A 58 2.198 -0.087 -6.761 1.00 0.00 C ATOM 0 H THR A 58 1.554 -3.294 -8.825 1.00 0.00 H new ATOM 0 HA THR A 58 3.947 -1.805 -8.384 1.00 0.00 H new ATOM 0 HB THR A 58 1.010 -1.587 -7.749 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.560 0.329 -9.149 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.403 0.657 -6.803 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.179 -0.584 -5.791 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.162 0.403 -6.899 1.00 0.00 H new ATOM 973 N VAL A 59 2.769 -3.447 -5.832 1.00 0.00 N ATOM 974 CA VAL A 59 3.101 -3.903 -4.493 1.00 0.00 C ATOM 975 C VAL A 59 4.404 -4.704 -4.540 1.00 0.00 C ATOM 976 O VAL A 59 5.229 -4.607 -3.633 1.00 0.00 O ATOM 977 CB VAL A 59 1.932 -4.697 -3.906 1.00 0.00 C ATOM 978 CG1 VAL A 59 2.052 -4.806 -2.385 1.00 0.00 C ATOM 979 CG2 VAL A 59 0.592 -4.078 -4.308 1.00 0.00 C ATOM 0 H VAL A 59 1.908 -3.838 -6.214 1.00 0.00 H new ATOM 0 HA VAL A 59 3.265 -3.054 -3.830 1.00 0.00 H new ATOM 0 HB VAL A 59 1.972 -5.705 -4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.209 -5.375 -1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.982 -5.313 -2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.051 -3.808 -1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.222 -4.661 -3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.539 -3.054 -3.939 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.503 -4.077 -5.394 1.00 0.00 H new ATOM 989 N ALA A 60 4.548 -5.477 -5.607 1.00 0.00 N ATOM 990 CA ALA A 60 5.737 -6.294 -5.784 1.00 0.00 C ATOM 991 C ALA A 60 6.959 -5.384 -5.921 1.00 0.00 C ATOM 992 O ALA A 60 8.016 -5.669 -5.360 1.00 0.00 O ATOM 993 CB ALA A 60 5.551 -7.209 -6.996 1.00 0.00 C ATOM 0 H ALA A 60 3.861 -5.555 -6.357 1.00 0.00 H new ATOM 0 HA ALA A 60 5.898 -6.933 -4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.442 -7.822 -7.129 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.687 -7.854 -6.835 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.390 -6.603 -7.888 1.00 0.00 H new ATOM 999 N LYS A 61 6.775 -4.308 -6.671 1.00 0.00 N ATOM 1000 CA LYS A 61 7.850 -3.355 -6.889 1.00 0.00 C ATOM 1001 C LYS A 61 8.263 -2.743 -5.549 1.00 0.00 C ATOM 1002 O LYS A 61 9.452 -2.591 -5.272 1.00 0.00 O ATOM 1003 CB LYS A 61 7.442 -2.319 -7.939 1.00 0.00 C ATOM 1004 CG LYS A 61 8.400 -2.340 -9.132 1.00 0.00 C ATOM 1005 CD LYS A 61 7.965 -3.381 -10.166 1.00 0.00 C ATOM 1006 CE LYS A 61 8.492 -3.024 -11.557 1.00 0.00 C ATOM 1007 NZ LYS A 61 9.640 -3.887 -11.914 1.00 0.00 N ATOM 0 H LYS A 61 5.897 -4.075 -7.136 1.00 0.00 H new ATOM 0 HA LYS A 61 8.728 -3.857 -7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.427 -2.522 -8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.435 -1.325 -7.491 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.432 -1.354 -9.595 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.410 -2.564 -8.788 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.334 -4.365 -9.875 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.877 -3.443 -10.190 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.698 -3.142 -12.294 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.795 -1.977 -11.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.985 -3.631 -12.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.403 -3.755 -11.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.340 -4.883 -11.912 1.00 0.00 H new ATOM 1021 N TYR A 62 7.258 -2.407 -4.754 1.00 0.00 N ATOM 1022 CA TYR A 62 7.502 -1.815 -3.449 1.00 0.00 C ATOM 1023 C TYR A 62 8.211 -2.804 -2.522 1.00 0.00 C ATOM 1024 O TYR A 62 9.112 -2.424 -1.776 1.00 0.00 O ATOM 1025 CB TYR A 62 6.125 -1.489 -2.870 1.00 0.00 C ATOM 1026 CG TYR A 62 5.589 -0.113 -3.273 1.00 0.00 C ATOM 1027 CD1 TYR A 62 5.540 0.244 -4.605 1.00 0.00 C ATOM 1028 CD2 TYR A 62 5.156 0.770 -2.305 1.00 0.00 C ATOM 1029 CE1 TYR A 62 5.037 1.539 -4.985 1.00 0.00 C ATOM 1030 CE2 TYR A 62 4.652 2.064 -2.685 1.00 0.00 C ATOM 1031 CZ TYR A 62 4.618 2.385 -4.006 1.00 0.00 C ATOM 1032 OH TYR A 62 4.142 3.608 -4.365 1.00 0.00 O ATOM 0 H TYR A 62 6.273 -2.533 -4.988 1.00 0.00 H new ATOM 0 HA TYR A 62 8.137 -0.933 -3.540 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.417 -2.252 -3.193 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.178 -1.543 -1.783 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.879 -0.447 -5.362 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.195 0.490 -1.263 1.00 0.00 H new ATOM 0 HE1 TYR A 62 4.994 1.832 -6.024 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.309 2.764 -1.938 1.00 0.00 H new ATOM 0 HH TYR A 62 4.692 4.307 -3.953 1.00 0.00 H new ATOM 1042 N ARG A 63 7.778 -4.054 -2.600 1.00 0.00 N ATOM 1043 CA ARG A 63 8.359 -5.100 -1.777 1.00 0.00 C ATOM 1044 C ARG A 63 9.885 -5.080 -1.893 1.00 0.00 C ATOM 1045 O ARG A 63 10.589 -5.242 -0.897 1.00 0.00 O ATOM 1046 CB ARG A 63 7.842 -6.479 -2.192 1.00 0.00 C ATOM 1047 CG ARG A 63 6.849 -7.024 -1.162 1.00 0.00 C ATOM 1048 CD ARG A 63 7.421 -8.249 -0.445 1.00 0.00 C ATOM 1049 NE ARG A 63 7.992 -7.851 0.861 1.00 0.00 N ATOM 1050 CZ ARG A 63 8.305 -8.712 1.838 1.00 0.00 C ATOM 1051 NH1 ARG A 63 8.104 -10.026 1.663 1.00 0.00 N ATOM 1052 NH2 ARG A 63 8.819 -8.261 2.990 1.00 0.00 N ATOM 0 H ARG A 63 7.031 -4.365 -3.221 1.00 0.00 H new ATOM 0 HA ARG A 63 8.066 -4.910 -0.744 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.360 -6.413 -3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.679 -7.169 -2.296 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.613 -6.249 -0.433 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.915 -7.291 -1.657 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.638 -8.993 -0.297 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.190 -8.715 -1.061 1.00 0.00 H new ATOM 0 HE ARG A 63 8.158 -6.858 1.028 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.713 -10.370 0.786 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.342 -10.682 2.407 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.972 -7.261 3.123 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.057 -8.917 3.734 1.00 0.00 H new ATOM 1066 N GLU A 64 10.351 -4.881 -3.117 1.00 0.00 N ATOM 1067 CA GLU A 64 11.780 -4.837 -3.376 1.00 0.00 C ATOM 1068 C GLU A 64 12.389 -3.566 -2.780 1.00 0.00 C ATOM 1069 O GLU A 64 13.502 -3.594 -2.255 1.00 0.00 O ATOM 1070 CB GLU A 64 12.069 -4.933 -4.875 1.00 0.00 C ATOM 1071 CG GLU A 64 13.458 -5.522 -5.129 1.00 0.00 C ATOM 1072 CD GLU A 64 14.083 -4.927 -6.393 1.00 0.00 C ATOM 1073 OE1 GLU A 64 13.688 -5.379 -7.489 1.00 0.00 O ATOM 1074 OE2 GLU A 64 14.942 -4.032 -6.234 1.00 0.00 O ATOM 0 H GLU A 64 9.764 -4.748 -3.941 1.00 0.00 H new ATOM 0 HA GLU A 64 12.243 -5.698 -2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.313 -5.554 -5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.002 -3.943 -5.326 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.103 -5.325 -4.273 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.385 -6.605 -5.230 1.00 0.00 H new ATOM 1081 N MET A 65 11.633 -2.483 -2.880 1.00 0.00 N ATOM 1082 CA MET A 65 12.085 -1.204 -2.357 1.00 0.00 C ATOM 1083 C MET A 65 12.163 -1.233 -0.830 1.00 0.00 C ATOM 1084 O MET A 65 13.075 -0.656 -0.240 1.00 0.00 O ATOM 1085 CB MET A 65 11.119 -0.103 -2.799 1.00 0.00 C ATOM 1086 CG MET A 65 11.606 0.570 -4.084 1.00 0.00 C ATOM 1087 SD MET A 65 10.493 1.889 -4.541 1.00 0.00 S ATOM 1088 CE MET A 65 9.302 0.970 -5.502 1.00 0.00 C ATOM 0 H MET A 65 10.711 -2.464 -3.315 1.00 0.00 H new ATOM 0 HA MET A 65 13.082 -1.004 -2.749 1.00 0.00 H new ATOM 0 HB2 MET A 65 10.128 -0.527 -2.959 1.00 0.00 H new ATOM 0 HB3 MET A 65 11.023 0.641 -2.008 1.00 0.00 H new ATOM 0 HG2 MET A 65 12.611 0.965 -3.939 1.00 0.00 H new ATOM 0 HG3 MET A 65 11.665 -0.163 -4.889 1.00 0.00 H new ATOM 0 HE1 MET A 65 9.467 1.158 -6.563 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.416 -0.095 -5.301 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.294 1.285 -5.230 1.00 0.00 H new ATOM 1098 N LEU A 66 11.194 -1.912 -0.232 1.00 0.00 N ATOM 1099 CA LEU A 66 11.142 -2.024 1.216 1.00 0.00 C ATOM 1100 C LEU A 66 12.060 -3.160 1.669 1.00 0.00 C ATOM 1101 O LEU A 66 13.045 -2.926 2.367 1.00 0.00 O ATOM 1102 CB LEU A 66 9.695 -2.176 1.689 1.00 0.00 C ATOM 1103 CG LEU A 66 8.671 -1.252 1.027 1.00 0.00 C ATOM 1104 CD1 LEU A 66 7.433 -2.033 0.584 1.00 0.00 C ATOM 1105 CD2 LEU A 66 8.313 -0.083 1.947 1.00 0.00 C ATOM 0 H LEU A 66 10.439 -2.390 -0.724 1.00 0.00 H new ATOM 0 HA LEU A 66 11.512 -1.111 1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.386 -3.208 1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.666 -2.006 2.765 1.00 0.00 H new ATOM 0 HG LEU A 66 9.122 -0.829 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.721 -1.352 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.724 -2.801 -0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.970 -2.503 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.584 0.559 1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.889 -0.467 2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.211 0.493 2.170 1.00 0.00 H new