USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 490 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 71 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0356 K(o=-0.036,f=-0.78) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.292 K(o=-0.29,f=-2!) USER MOD Single : A 29 TYR OH : rot -70:sc= -2.41! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= 0.0135 (180deg=0.00218) USER MOD Single : A 33 SER OG : rot 180:sc= -1.9! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.046 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.98! C(o=-2!,f=-2.3!) USER MOD Single : A 44 LYS NZ :NH3+ -178:sc= -1.51 (180deg=-1.59) USER MOD Single : A 46 THR OG1 : rot 58:sc= -0.756 USER MOD Single : A 48 MET CE :methyl -114:sc= -0.0784 (180deg=-0.613) USER MOD Single : A 55 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.3!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0729 K(o=-0.073,f=-1.5) USER MOD Single : A 70 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.019) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.0253 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= -2.58! (180deg=-2.84!) USER MOD ----------------------------------------------------------------- ATOM 291 N GLN A 20 -9.209 -7.318 -9.818 1.00 0.00 N ATOM 292 CA GLN A 20 -9.255 -5.926 -10.244 1.00 0.00 C ATOM 293 C GLN A 20 -8.832 -5.009 -9.104 1.00 0.00 C ATOM 294 O GLN A 20 -8.143 -4.012 -9.318 1.00 0.00 O ATOM 295 CB GLN A 20 -10.664 -5.561 -10.717 1.00 0.00 C ATOM 296 CG GLN A 20 -10.740 -5.218 -12.195 1.00 0.00 C ATOM 297 CD GLN A 20 -11.773 -4.149 -12.495 1.00 0.00 C ATOM 298 OE1 GLN A 20 -12.695 -3.920 -11.710 1.00 0.00 O ATOM 299 NE2 GLN A 20 -11.627 -3.489 -13.637 1.00 0.00 N ATOM 0 HA GLN A 20 -8.561 -5.795 -11.075 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.335 -6.395 -10.511 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.024 -4.712 -10.137 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.762 -4.878 -12.536 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.980 -6.118 -12.761 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.849 -3.711 -14.258 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.293 -2.760 -13.894 1.00 0.00 H new ATOM 308 N ARG A 21 -9.252 -5.358 -7.891 1.00 0.00 N ATOM 309 CA ARG A 21 -8.927 -4.575 -6.705 1.00 0.00 C ATOM 310 C ARG A 21 -7.436 -4.649 -6.393 1.00 0.00 C ATOM 311 O ARG A 21 -6.777 -3.623 -6.212 1.00 0.00 O ATOM 312 CB ARG A 21 -9.740 -5.071 -5.513 1.00 0.00 C ATOM 313 CG ARG A 21 -11.196 -4.630 -5.564 1.00 0.00 C ATOM 314 CD ARG A 21 -11.885 -4.744 -4.211 1.00 0.00 C ATOM 315 NE ARG A 21 -11.902 -6.114 -3.698 1.00 0.00 N ATOM 316 CZ ARG A 21 -11.078 -6.565 -2.747 1.00 0.00 C ATOM 317 NH1 ARG A 21 -10.113 -5.788 -2.274 1.00 0.00 N ATOM 318 NH2 ARG A 21 -11.204 -7.803 -2.284 1.00 0.00 N ATOM 0 H ARG A 21 -9.822 -6.183 -7.704 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.181 -3.533 -6.902 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.696 -6.160 -5.478 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.286 -4.704 -4.592 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -11.248 -3.597 -5.909 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -11.731 -5.238 -6.294 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.377 -4.099 -3.494 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.909 -4.380 -4.298 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.584 -6.764 -4.090 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.997 -4.841 -2.636 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.487 -6.137 -1.548 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.932 -8.414 -2.654 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.573 -8.143 -1.558 1.00 0.00 H new ATOM 332 N GLN A 22 -6.909 -5.867 -6.342 1.00 0.00 N ATOM 333 CA GLN A 22 -5.493 -6.079 -6.063 1.00 0.00 C ATOM 334 C GLN A 22 -4.627 -5.644 -7.247 1.00 0.00 C ATOM 335 O GLN A 22 -3.400 -5.631 -7.155 1.00 0.00 O ATOM 336 CB GLN A 22 -5.232 -7.552 -5.736 1.00 0.00 C ATOM 337 CG GLN A 22 -4.065 -7.771 -4.785 1.00 0.00 C ATOM 338 CD GLN A 22 -4.515 -8.146 -3.385 1.00 0.00 C ATOM 339 OE1 GLN A 22 -4.572 -9.323 -3.034 1.00 0.00 O ATOM 340 NE2 GLN A 22 -4.836 -7.141 -2.579 1.00 0.00 N ATOM 0 H GLN A 22 -7.442 -6.724 -6.490 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.224 -5.468 -5.201 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.132 -7.982 -5.297 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.040 -8.092 -6.663 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.423 -8.559 -5.179 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -3.464 -6.863 -4.738 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.774 -6.179 -2.913 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.145 -7.331 -1.626 1.00 0.00 H new ATOM 349 N ALA A 23 -5.272 -5.286 -8.357 1.00 0.00 N ATOM 350 CA ALA A 23 -4.546 -4.851 -9.547 1.00 0.00 C ATOM 351 C ALA A 23 -4.000 -3.439 -9.369 1.00 0.00 C ATOM 352 O ALA A 23 -2.787 -3.242 -9.277 1.00 0.00 O ATOM 353 CB ALA A 23 -5.435 -4.921 -10.779 1.00 0.00 C ATOM 0 H ALA A 23 -6.287 -5.289 -8.456 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.704 -5.529 -9.689 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.872 -4.592 -11.653 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.770 -5.947 -10.928 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.301 -4.273 -10.640 1.00 0.00 H new ATOM 359 N LEU A 24 -4.893 -2.452 -9.304 1.00 0.00 N ATOM 360 CA LEU A 24 -4.465 -1.077 -9.121 1.00 0.00 C ATOM 361 C LEU A 24 -3.806 -0.926 -7.757 1.00 0.00 C ATOM 362 O LEU A 24 -2.866 -0.155 -7.598 1.00 0.00 O ATOM 363 CB LEU A 24 -5.643 -0.111 -9.260 1.00 0.00 C ATOM 364 CG LEU A 24 -5.700 0.671 -10.575 1.00 0.00 C ATOM 365 CD1 LEU A 24 -4.423 1.470 -10.796 1.00 0.00 C ATOM 366 CD2 LEU A 24 -5.951 -0.272 -11.738 1.00 0.00 C ATOM 0 H LEU A 24 -5.902 -2.581 -9.375 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.742 -0.829 -9.898 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.569 -0.676 -9.153 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.607 0.601 -8.435 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.527 1.378 -10.514 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.493 2.015 -11.738 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.290 2.177 -9.977 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.571 0.791 -10.832 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.989 0.298 -12.667 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.145 -1.003 -11.794 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.900 -0.788 -11.590 1.00 0.00 H new ATOM 378 N GLY A 25 -4.293 -1.691 -6.780 1.00 0.00 N ATOM 379 CA GLY A 25 -3.727 -1.631 -5.445 1.00 0.00 C ATOM 380 C GLY A 25 -2.258 -1.988 -5.461 1.00 0.00 C ATOM 381 O GLY A 25 -1.455 -1.399 -4.733 1.00 0.00 O ATOM 0 H GLY A 25 -5.066 -2.348 -6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.857 -0.629 -5.036 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.264 -2.315 -4.788 1.00 0.00 H new ATOM 385 N GLU A 26 -1.900 -2.942 -6.311 1.00 0.00 N ATOM 386 CA GLU A 26 -0.515 -3.359 -6.444 1.00 0.00 C ATOM 387 C GLU A 26 0.345 -2.185 -6.900 1.00 0.00 C ATOM 388 O GLU A 26 1.526 -2.105 -6.563 1.00 0.00 O ATOM 389 CB GLU A 26 -0.397 -4.515 -7.440 1.00 0.00 C ATOM 390 CG GLU A 26 -0.449 -5.888 -6.791 1.00 0.00 C ATOM 391 CD GLU A 26 0.823 -6.688 -7.002 1.00 0.00 C ATOM 392 OE1 GLU A 26 1.414 -6.583 -8.098 1.00 0.00 O ATOM 393 OE2 GLU A 26 1.226 -7.416 -6.072 1.00 0.00 O ATOM 0 H GLU A 26 -2.552 -3.440 -6.918 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.161 -3.701 -5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.202 -4.437 -8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.540 -4.417 -7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.627 -5.773 -5.722 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.294 -6.444 -7.196 1.00 0.00 H new ATOM 400 N GLN A 27 -0.257 -1.270 -7.661 1.00 0.00 N ATOM 401 CA GLN A 27 0.461 -0.098 -8.147 1.00 0.00 C ATOM 402 C GLN A 27 0.954 0.743 -6.973 1.00 0.00 C ATOM 403 O GLN A 27 2.011 1.371 -7.039 1.00 0.00 O ATOM 404 CB GLN A 27 -0.419 0.741 -9.078 1.00 0.00 C ATOM 405 CG GLN A 27 -0.256 0.380 -10.548 1.00 0.00 C ATOM 406 CD GLN A 27 -0.008 1.594 -11.422 1.00 0.00 C ATOM 407 OE1 GLN A 27 0.447 2.634 -10.945 1.00 0.00 O ATOM 408 NE2 GLN A 27 -0.306 1.468 -12.709 1.00 0.00 N ATOM 0 H GLN A 27 -1.234 -1.320 -7.951 1.00 0.00 H new ATOM 0 HA GLN A 27 1.323 -0.440 -8.720 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.463 0.612 -8.793 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.179 1.795 -8.941 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.574 -0.318 -10.657 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.152 -0.135 -10.894 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.681 0.588 -13.062 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.160 2.252 -13.345 1.00 0.00 H new ATOM 417 N LEU A 28 0.180 0.733 -5.891 1.00 0.00 N ATOM 418 CA LEU A 28 0.528 1.476 -4.682 1.00 0.00 C ATOM 419 C LEU A 28 1.887 1.029 -4.146 1.00 0.00 C ATOM 420 O LEU A 28 2.781 1.846 -3.925 1.00 0.00 O ATOM 421 CB LEU A 28 -0.549 1.261 -3.613 1.00 0.00 C ATOM 422 CG LEU A 28 -0.639 2.344 -2.534 1.00 0.00 C ATOM 423 CD1 LEU A 28 -1.098 3.662 -3.134 1.00 0.00 C ATOM 424 CD2 LEU A 28 -1.583 1.907 -1.421 1.00 0.00 C ATOM 0 H LEU A 28 -0.697 0.216 -5.826 1.00 0.00 H new ATOM 0 HA LEU A 28 0.586 2.536 -4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.517 1.186 -4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.366 0.303 -3.126 1.00 0.00 H new ATOM 0 HG LEU A 28 0.354 2.490 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.155 4.418 -2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.387 3.982 -3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.081 3.533 -3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.636 2.687 -0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.577 1.734 -1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.212 0.987 -0.970 1.00 0.00 H new ATOM 436 N TYR A 29 2.024 -0.277 -3.935 1.00 0.00 N ATOM 437 CA TYR A 29 3.262 -0.858 -3.417 1.00 0.00 C ATOM 438 C TYR A 29 4.440 -0.637 -4.372 1.00 0.00 C ATOM 439 O TYR A 29 5.513 -0.210 -3.948 1.00 0.00 O ATOM 440 CB TYR A 29 3.062 -2.354 -3.162 1.00 0.00 C ATOM 441 CG TYR A 29 4.342 -3.104 -2.848 1.00 0.00 C ATOM 442 CD1 TYR A 29 5.157 -2.721 -1.789 1.00 0.00 C ATOM 443 CD2 TYR A 29 4.732 -4.194 -3.615 1.00 0.00 C ATOM 444 CE1 TYR A 29 6.324 -3.404 -1.504 1.00 0.00 C ATOM 445 CE2 TYR A 29 5.896 -4.881 -3.336 1.00 0.00 C ATOM 446 CZ TYR A 29 6.688 -4.483 -2.282 1.00 0.00 C ATOM 447 OH TYR A 29 7.846 -5.167 -2.005 1.00 0.00 O ATOM 0 H TYR A 29 1.287 -0.959 -4.116 1.00 0.00 H new ATOM 0 HA TYR A 29 3.503 -0.355 -2.481 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.366 -2.481 -2.332 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.597 -2.802 -4.040 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.874 -1.876 -1.179 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.115 -4.509 -4.443 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.947 -3.095 -0.678 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.185 -5.727 -3.942 1.00 0.00 H new ATOM 0 HH TYR A 29 8.618 -4.606 -2.227 1.00 0.00 H new ATOM 457 N LYS A 30 4.243 -0.942 -5.653 1.00 0.00 N ATOM 458 CA LYS A 30 5.307 -0.780 -6.645 1.00 0.00 C ATOM 459 C LYS A 30 5.740 0.675 -6.754 1.00 0.00 C ATOM 460 O LYS A 30 6.902 0.963 -7.041 1.00 0.00 O ATOM 461 CB LYS A 30 4.857 -1.279 -8.014 1.00 0.00 C ATOM 462 CG LYS A 30 3.638 -0.548 -8.536 1.00 0.00 C ATOM 463 CD LYS A 30 3.430 -0.774 -10.026 1.00 0.00 C ATOM 464 CE LYS A 30 3.793 0.462 -10.834 1.00 0.00 C ATOM 465 NZ LYS A 30 5.267 0.660 -10.928 1.00 0.00 N ATOM 0 H LYS A 30 3.364 -1.300 -6.028 1.00 0.00 H new ATOM 0 HA LYS A 30 6.156 -1.376 -6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.676 -1.163 -8.724 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.637 -2.345 -7.952 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.755 -0.883 -7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.746 0.519 -8.343 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.038 -1.617 -10.355 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.389 -1.039 -10.213 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.375 0.374 -11.837 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.339 1.340 -10.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.468 1.514 -11.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.664 0.770 -9.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.699 -0.166 -11.389 1.00 0.00 H new ATOM 479 N LYS A 31 4.805 1.592 -6.527 1.00 0.00 N ATOM 480 CA LYS A 31 5.111 3.015 -6.606 1.00 0.00 C ATOM 481 C LYS A 31 6.176 3.368 -5.579 1.00 0.00 C ATOM 482 O LYS A 31 7.001 4.254 -5.800 1.00 0.00 O ATOM 483 CB LYS A 31 3.854 3.855 -6.374 1.00 0.00 C ATOM 484 CG LYS A 31 4.000 5.301 -6.829 1.00 0.00 C ATOM 485 CD LYS A 31 2.827 5.747 -7.685 1.00 0.00 C ATOM 486 CE LYS A 31 3.229 6.858 -8.643 1.00 0.00 C ATOM 487 NZ LYS A 31 2.061 7.392 -9.398 1.00 0.00 N ATOM 0 H LYS A 31 3.837 1.377 -6.289 1.00 0.00 H new ATOM 0 HA LYS A 31 5.487 3.236 -7.605 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.018 3.398 -6.903 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.606 3.839 -5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.080 5.950 -5.957 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.925 5.412 -7.395 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.444 4.898 -8.251 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.017 6.094 -7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.700 7.666 -8.084 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.973 6.480 -9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.328 8.280 -9.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.763 6.698 -10.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.275 7.572 -8.741 1.00 0.00 H new ATOM 501 N VAL A 32 6.173 2.641 -4.467 1.00 0.00 N ATOM 502 CA VAL A 32 7.162 2.850 -3.424 1.00 0.00 C ATOM 503 C VAL A 32 8.453 2.132 -3.788 1.00 0.00 C ATOM 504 O VAL A 32 9.545 2.687 -3.659 1.00 0.00 O ATOM 505 CB VAL A 32 6.689 2.348 -2.053 1.00 0.00 C ATOM 506 CG1 VAL A 32 7.670 2.786 -0.978 1.00 0.00 C ATOM 507 CG2 VAL A 32 5.285 2.850 -1.748 1.00 0.00 C ATOM 0 H VAL A 32 5.497 1.904 -4.268 1.00 0.00 H new ATOM 0 HA VAL A 32 7.322 3.926 -3.351 1.00 0.00 H new ATOM 0 HB VAL A 32 6.653 1.259 -2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.330 2.427 -0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.655 2.371 -1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.730 3.874 -0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.971 2.482 -0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.281 3.940 -1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.596 2.488 -2.511 1.00 0.00 H new ATOM 517 N SER A 33 8.318 0.889 -4.253 1.00 0.00 N ATOM 518 CA SER A 33 9.468 0.084 -4.648 1.00 0.00 C ATOM 519 C SER A 33 10.040 0.550 -5.986 1.00 0.00 C ATOM 520 O SER A 33 10.949 -0.074 -6.531 1.00 0.00 O ATOM 521 CB SER A 33 9.075 -1.395 -4.730 1.00 0.00 C ATOM 522 OG SER A 33 7.676 -1.541 -4.890 1.00 0.00 O ATOM 0 H SER A 33 7.419 0.419 -4.364 1.00 0.00 H new ATOM 0 HA SER A 33 10.241 0.209 -3.889 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.591 -1.866 -5.566 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.397 -1.911 -3.825 1.00 0.00 H new ATOM 0 HG SER A 33 7.450 -2.493 -4.941 1.00 0.00 H new ATOM 528 N ALA A 34 9.514 1.659 -6.507 1.00 0.00 N ATOM 529 CA ALA A 34 9.987 2.210 -7.768 1.00 0.00 C ATOM 530 C ALA A 34 11.478 2.539 -7.697 1.00 0.00 C ATOM 531 O ALA A 34 12.113 2.800 -8.718 1.00 0.00 O ATOM 532 CB ALA A 34 9.185 3.455 -8.120 1.00 0.00 C ATOM 0 H ALA A 34 8.760 2.190 -6.072 1.00 0.00 H new ATOM 0 HA ALA A 34 9.846 1.462 -8.548 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.543 3.863 -9.065 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.131 3.194 -8.214 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.306 4.200 -7.334 1.00 0.00 H new ATOM 538 N LYS A 35 12.027 2.534 -6.483 1.00 0.00 N ATOM 539 CA LYS A 35 13.436 2.836 -6.276 1.00 0.00 C ATOM 540 C LYS A 35 14.236 1.582 -5.919 1.00 0.00 C ATOM 541 O LYS A 35 15.465 1.594 -5.962 1.00 0.00 O ATOM 542 CB LYS A 35 13.586 3.884 -5.171 1.00 0.00 C ATOM 543 CG LYS A 35 13.003 5.240 -5.539 1.00 0.00 C ATOM 544 CD LYS A 35 12.436 5.958 -4.322 1.00 0.00 C ATOM 545 CE LYS A 35 12.121 7.415 -4.626 1.00 0.00 C ATOM 546 NZ LYS A 35 10.866 7.562 -5.416 1.00 0.00 N ATOM 0 H LYS A 35 11.513 2.323 -5.628 1.00 0.00 H new ATOM 0 HA LYS A 35 13.835 3.230 -7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.097 3.520 -4.267 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.644 4.004 -4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.776 5.856 -5.998 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.217 5.109 -6.283 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.530 5.451 -3.990 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.151 5.904 -3.501 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.028 7.968 -3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.950 7.858 -5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.688 8.570 -5.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.963 7.056 -6.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.069 7.163 -4.880 1.00 0.00 H new ATOM 560 N THR A 36 13.540 0.501 -5.558 1.00 0.00 N ATOM 561 CA THR A 36 14.212 -0.745 -5.189 1.00 0.00 C ATOM 562 C THR A 36 13.203 -1.861 -4.915 1.00 0.00 C ATOM 563 O THR A 36 12.056 -1.595 -4.557 1.00 0.00 O ATOM 564 CB THR A 36 15.091 -0.515 -3.956 1.00 0.00 C ATOM 565 OG1 THR A 36 15.520 -1.748 -3.403 1.00 0.00 O ATOM 566 CG2 THR A 36 14.399 0.267 -2.858 1.00 0.00 C ATOM 0 H THR A 36 12.522 0.464 -5.514 1.00 0.00 H new ATOM 0 HA THR A 36 14.836 -1.056 -6.027 1.00 0.00 H new ATOM 0 HB THR A 36 15.937 0.070 -4.316 1.00 0.00 H new ATOM 0 HG1 THR A 36 16.081 -1.577 -2.618 1.00 0.00 H new ATOM 0 HG21 THR A 36 15.080 0.392 -2.016 1.00 0.00 H new ATOM 0 HG22 THR A 36 14.107 1.246 -3.237 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.512 -0.274 -2.530 1.00 0.00 H new ATOM 574 N SER A 37 13.642 -3.114 -5.069 1.00 0.00 N ATOM 575 CA SER A 37 12.777 -4.270 -4.823 1.00 0.00 C ATOM 576 C SER A 37 12.794 -4.649 -3.344 1.00 0.00 C ATOM 577 O SER A 37 12.747 -5.827 -2.989 1.00 0.00 O ATOM 578 CB SER A 37 13.223 -5.465 -5.673 1.00 0.00 C ATOM 579 OG SER A 37 13.359 -5.103 -7.036 1.00 0.00 O ATOM 0 H SER A 37 14.589 -3.353 -5.362 1.00 0.00 H new ATOM 0 HA SER A 37 11.759 -3.998 -5.104 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.173 -5.846 -5.299 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.497 -6.272 -5.579 1.00 0.00 H new ATOM 0 HG SER A 37 13.646 -5.883 -7.555 1.00 0.00 H new ATOM 585 N ASN A 38 12.854 -3.635 -2.490 1.00 0.00 N ATOM 586 CA ASN A 38 12.869 -3.837 -1.048 1.00 0.00 C ATOM 587 C ASN A 38 11.466 -4.118 -0.518 1.00 0.00 C ATOM 588 O ASN A 38 10.674 -3.195 -0.324 1.00 0.00 O ATOM 589 CB ASN A 38 13.446 -2.609 -0.349 1.00 0.00 C ATOM 590 CG ASN A 38 14.804 -2.869 0.272 1.00 0.00 C ATOM 591 OD1 ASN A 38 15.139 -4.002 0.616 1.00 0.00 O ATOM 592 ND2 ASN A 38 15.594 -1.811 0.421 1.00 0.00 N ATOM 0 H ASN A 38 12.893 -2.656 -2.775 1.00 0.00 H new ATOM 0 HA ASN A 38 13.498 -4.702 -0.837 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.531 -1.794 -1.068 1.00 0.00 H new ATOM 0 HB3 ASN A 38 12.754 -2.280 0.426 1.00 0.00 H new ATOM 0 HD21 ASN A 38 16.520 -1.920 0.835 1.00 0.00 H new ATOM 0 HD22 ASN A 38 15.275 -0.890 0.121 1.00 0.00 H new ATOM 599 N GLU A 39 11.165 -5.386 -0.277 1.00 0.00 N ATOM 600 CA GLU A 39 9.855 -5.762 0.241 1.00 0.00 C ATOM 601 C GLU A 39 9.636 -5.180 1.634 1.00 0.00 C ATOM 602 O GLU A 39 8.500 -4.979 2.061 1.00 0.00 O ATOM 603 CB GLU A 39 9.709 -7.283 0.259 1.00 0.00 C ATOM 604 CG GLU A 39 10.140 -7.941 -1.042 1.00 0.00 C ATOM 605 CD GLU A 39 9.259 -9.112 -1.428 1.00 0.00 C ATOM 606 OE1 GLU A 39 8.036 -9.040 -1.191 1.00 0.00 O ATOM 607 OE2 GLU A 39 9.792 -10.101 -1.973 1.00 0.00 O ATOM 0 H GLU A 39 11.803 -6.167 -0.430 1.00 0.00 H new ATOM 0 HA GLU A 39 9.091 -5.350 -0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.303 -7.689 1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.669 -7.539 0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.123 -7.200 -1.841 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.170 -8.283 -0.947 1.00 0.00 H new ATOM 614 N GLU A 40 10.732 -4.901 2.337 1.00 0.00 N ATOM 615 CA GLU A 40 10.656 -4.328 3.676 1.00 0.00 C ATOM 616 C GLU A 40 10.516 -2.804 3.613 1.00 0.00 C ATOM 617 O GLU A 40 9.953 -2.185 4.517 1.00 0.00 O ATOM 618 CB GLU A 40 11.895 -4.716 4.488 1.00 0.00 C ATOM 619 CG GLU A 40 11.678 -5.918 5.392 1.00 0.00 C ATOM 620 CD GLU A 40 11.310 -7.169 4.622 1.00 0.00 C ATOM 621 OE1 GLU A 40 10.436 -7.086 3.737 1.00 0.00 O ATOM 622 OE2 GLU A 40 11.898 -8.235 4.906 1.00 0.00 O ATOM 0 H GLU A 40 11.681 -5.063 2.001 1.00 0.00 H new ATOM 0 HA GLU A 40 9.771 -4.729 4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.715 -4.930 3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.202 -3.865 5.096 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.585 -6.104 5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.888 -5.691 6.108 1.00 0.00 H new ATOM 629 N ALA A 41 11.029 -2.211 2.537 1.00 0.00 N ATOM 630 CA ALA A 41 10.961 -0.765 2.343 1.00 0.00 C ATOM 631 C ALA A 41 9.583 -0.344 1.861 1.00 0.00 C ATOM 632 O ALA A 41 8.833 0.319 2.579 1.00 0.00 O ATOM 633 CB ALA A 41 12.006 -0.316 1.343 1.00 0.00 C ATOM 0 H ALA A 41 11.498 -2.713 1.783 1.00 0.00 H new ATOM 0 HA ALA A 41 11.155 -0.291 3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.942 0.764 1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 41 12.998 -0.578 1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.831 -0.810 0.387 1.00 0.00 H new ATOM 639 N ALA A 42 9.262 -0.736 0.635 1.00 0.00 N ATOM 640 CA ALA A 42 7.979 -0.407 0.041 1.00 0.00 C ATOM 641 C ALA A 42 6.845 -1.020 0.845 1.00 0.00 C ATOM 642 O ALA A 42 5.751 -0.458 0.922 1.00 0.00 O ATOM 643 CB ALA A 42 7.932 -0.870 -1.405 1.00 0.00 C ATOM 0 H ALA A 42 9.877 -1.284 0.033 1.00 0.00 H new ATOM 0 HA ALA A 42 7.856 0.676 0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.964 -0.616 -1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.722 -0.377 -1.971 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.076 -1.950 -1.446 1.00 0.00 H new ATOM 649 N GLY A 43 7.114 -2.162 1.467 1.00 0.00 N ATOM 650 CA GLY A 43 6.106 -2.806 2.280 1.00 0.00 C ATOM 651 C GLY A 43 5.794 -1.988 3.515 1.00 0.00 C ATOM 652 O GLY A 43 4.703 -2.082 4.078 1.00 0.00 O ATOM 0 H GLY A 43 8.009 -2.650 1.422 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.197 -2.946 1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.451 -3.797 2.575 1.00 0.00 H new ATOM 656 N LYS A 44 6.759 -1.169 3.928 1.00 0.00 N ATOM 657 CA LYS A 44 6.593 -0.311 5.096 1.00 0.00 C ATOM 658 C LYS A 44 5.622 0.818 4.786 1.00 0.00 C ATOM 659 O LYS A 44 4.609 0.996 5.464 1.00 0.00 O ATOM 660 CB LYS A 44 7.944 0.276 5.510 1.00 0.00 C ATOM 661 CG LYS A 44 8.155 0.321 7.011 1.00 0.00 C ATOM 662 CD LYS A 44 8.193 -1.076 7.606 1.00 0.00 C ATOM 663 CE LYS A 44 7.164 -1.235 8.712 1.00 0.00 C ATOM 664 NZ LYS A 44 5.777 -1.252 8.171 1.00 0.00 N ATOM 0 H LYS A 44 7.666 -1.082 3.469 1.00 0.00 H new ATOM 0 HA LYS A 44 6.194 -0.910 5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.741 -0.315 5.058 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.029 1.286 5.110 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.088 0.839 7.234 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.353 0.895 7.476 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.005 -1.812 6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.189 -1.278 8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.354 -2.160 9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.267 -0.418 9.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.099 -1.328 8.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.599 -0.373 7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.662 -2.067 7.535 1.00 0.00 H new ATOM 678 N ILE A 45 5.949 1.576 3.751 1.00 0.00 N ATOM 679 CA ILE A 45 5.132 2.697 3.322 1.00 0.00 C ATOM 680 C ILE A 45 3.770 2.223 2.827 1.00 0.00 C ATOM 681 O ILE A 45 2.752 2.874 3.061 1.00 0.00 O ATOM 682 CB ILE A 45 5.837 3.477 2.202 1.00 0.00 C ATOM 683 CG1 ILE A 45 7.148 4.083 2.717 1.00 0.00 C ATOM 684 CG2 ILE A 45 4.930 4.557 1.628 1.00 0.00 C ATOM 685 CD1 ILE A 45 8.069 4.521 1.613 1.00 0.00 C ATOM 0 H ILE A 45 6.786 1.431 3.187 1.00 0.00 H new ATOM 0 HA ILE A 45 4.986 3.350 4.183 1.00 0.00 H new ATOM 0 HB ILE A 45 6.070 2.779 1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.921 4.938 3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.660 3.350 3.340 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.456 5.092 0.838 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.031 4.097 1.218 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.653 5.256 2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.978 4.941 2.043 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.324 3.663 0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.573 5.277 1.004 1.00 0.00 H new ATOM 697 N THR A 46 3.760 1.083 2.144 1.00 0.00 N ATOM 698 CA THR A 46 2.519 0.523 1.621 1.00 0.00 C ATOM 699 C THR A 46 1.505 0.338 2.744 1.00 0.00 C ATOM 700 O THR A 46 0.317 0.607 2.567 1.00 0.00 O ATOM 701 CB THR A 46 2.790 -0.807 0.913 1.00 0.00 C ATOM 702 OG1 THR A 46 3.579 -0.595 -0.241 1.00 0.00 O ATOM 703 CG2 THR A 46 1.535 -1.536 0.474 1.00 0.00 C ATOM 0 H THR A 46 4.593 0.531 1.940 1.00 0.00 H new ATOM 0 HA THR A 46 2.102 1.220 0.894 1.00 0.00 H new ATOM 0 HB THR A 46 3.302 -1.424 1.651 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.417 -0.155 0.012 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.810 -2.468 -0.019 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.918 -1.755 1.345 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.974 -0.910 -0.220 1.00 0.00 H new ATOM 711 N GLY A 47 1.980 -0.108 3.904 1.00 0.00 N ATOM 712 CA GLY A 47 1.093 -0.301 5.034 1.00 0.00 C ATOM 713 C GLY A 47 0.457 0.999 5.485 1.00 0.00 C ATOM 714 O GLY A 47 -0.695 1.017 5.917 1.00 0.00 O ATOM 0 H GLY A 47 2.958 -0.338 4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.312 -1.012 4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.651 -0.738 5.862 1.00 0.00 H new ATOM 718 N MET A 48 1.204 2.097 5.368 1.00 0.00 N ATOM 719 CA MET A 48 0.692 3.406 5.754 1.00 0.00 C ATOM 720 C MET A 48 -0.346 3.875 4.747 1.00 0.00 C ATOM 721 O MET A 48 -1.465 4.225 5.116 1.00 0.00 O ATOM 722 CB MET A 48 1.829 4.417 5.867 1.00 0.00 C ATOM 723 CG MET A 48 2.456 4.455 7.252 1.00 0.00 C ATOM 724 SD MET A 48 4.041 5.312 7.279 1.00 0.00 S ATOM 725 CE MET A 48 5.172 3.928 7.187 1.00 0.00 C ATOM 0 H MET A 48 2.159 2.104 5.011 1.00 0.00 H new ATOM 0 HA MET A 48 0.218 3.322 6.732 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.597 4.175 5.133 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.452 5.409 5.618 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.771 4.947 7.942 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.594 3.435 7.611 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.738 3.858 8.116 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.609 3.007 7.035 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.859 4.074 6.354 1.00 0.00 H new ATOM 735 N ILE A 49 0.014 3.849 3.464 1.00 0.00 N ATOM 736 CA ILE A 49 -0.916 4.242 2.413 1.00 0.00 C ATOM 737 C ILE A 49 -1.984 3.164 2.211 1.00 0.00 C ATOM 738 O ILE A 49 -2.817 3.265 1.314 1.00 0.00 O ATOM 739 CB ILE A 49 -0.202 4.485 1.070 1.00 0.00 C ATOM 740 CG1 ILE A 49 0.995 5.417 1.250 1.00 0.00 C ATOM 741 CG2 ILE A 49 -1.174 5.064 0.051 1.00 0.00 C ATOM 742 CD1 ILE A 49 2.214 4.982 0.470 1.00 0.00 C ATOM 0 H ILE A 49 0.935 3.562 3.132 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.378 5.175 2.736 1.00 0.00 H new ATOM 0 HB ILE A 49 0.164 3.527 0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.713 6.423 0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.249 5.470 2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.655 5.230 -0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.996 4.366 -0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.567 6.011 0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.027 5.687 0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.520 3.988 0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.975 4.956 -0.593 1.00 0.00 H new ATOM 754 N LEU A 50 -1.959 2.141 3.064 1.00 0.00 N ATOM 755 CA LEU A 50 -2.929 1.058 2.995 1.00 0.00 C ATOM 756 C LEU A 50 -4.267 1.488 3.603 1.00 0.00 C ATOM 757 O LEU A 50 -5.138 0.654 3.850 1.00 0.00 O ATOM 758 CB LEU A 50 -2.391 -0.170 3.731 1.00 0.00 C ATOM 759 CG LEU A 50 -2.556 -1.504 2.999 1.00 0.00 C ATOM 760 CD1 LEU A 50 -4.026 -1.861 2.859 1.00 0.00 C ATOM 761 CD2 LEU A 50 -1.885 -1.455 1.634 1.00 0.00 C ATOM 0 H LEU A 50 -1.273 2.043 3.813 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.092 0.807 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.331 -0.015 3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.892 -0.241 4.696 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.070 -2.279 3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.121 -2.813 2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.476 -1.944 3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.537 -1.083 2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.014 -2.413 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.338 -0.666 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.822 -1.251 1.758 1.00 0.00 H new ATOM 773 N ASP A 51 -4.427 2.793 3.838 1.00 0.00 N ATOM 774 CA ASP A 51 -5.655 3.327 4.409 1.00 0.00 C ATOM 775 C ASP A 51 -6.698 3.554 3.321 1.00 0.00 C ATOM 776 O ASP A 51 -7.900 3.508 3.583 1.00 0.00 O ATOM 777 CB ASP A 51 -5.377 4.638 5.148 1.00 0.00 C ATOM 778 CG ASP A 51 -5.204 4.435 6.641 1.00 0.00 C ATOM 779 OD1 ASP A 51 -5.941 3.609 7.218 1.00 0.00 O ATOM 780 OD2 ASP A 51 -4.331 5.104 7.232 1.00 0.00 O ATOM 0 H ASP A 51 -3.716 3.497 3.639 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.044 2.598 5.120 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.477 5.098 4.740 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.198 5.333 4.971 1.00 0.00 H new ATOM 785 N LEU A 52 -6.232 3.780 2.095 1.00 0.00 N ATOM 786 CA LEU A 52 -7.134 3.990 0.975 1.00 0.00 C ATOM 787 C LEU A 52 -7.756 2.659 0.575 1.00 0.00 C ATOM 788 O LEU A 52 -7.041 1.705 0.265 1.00 0.00 O ATOM 789 CB LEU A 52 -6.396 4.607 -0.219 1.00 0.00 C ATOM 790 CG LEU A 52 -5.786 5.990 0.028 1.00 0.00 C ATOM 791 CD1 LEU A 52 -6.778 6.904 0.732 1.00 0.00 C ATOM 792 CD2 LEU A 52 -4.505 5.864 0.834 1.00 0.00 C ATOM 0 H LEU A 52 -5.241 3.822 1.857 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.916 4.685 1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.600 3.927 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.091 4.679 -1.056 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.546 6.437 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.321 7.880 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.668 7.020 0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.057 6.468 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.082 6.854 1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.723 5.395 1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.789 5.252 0.286 1.00 0.00 H new ATOM 804 N PRO A 53 -9.096 2.562 0.577 1.00 0.00 N ATOM 805 CA PRO A 53 -9.775 1.323 0.219 1.00 0.00 C ATOM 806 C PRO A 53 -9.255 0.752 -1.097 1.00 0.00 C ATOM 807 O PRO A 53 -8.494 1.406 -1.806 1.00 0.00 O ATOM 808 CB PRO A 53 -11.247 1.716 0.106 1.00 0.00 C ATOM 809 CG PRO A 53 -11.389 2.980 0.891 1.00 0.00 C ATOM 810 CD PRO A 53 -10.035 3.641 0.927 1.00 0.00 C ATOM 0 HA PRO A 53 -9.607 0.539 0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.533 1.867 -0.935 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.893 0.933 0.504 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.125 3.638 0.430 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.740 2.768 1.901 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.976 4.466 0.217 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.819 4.053 1.913 1.00 0.00 H new ATOM 818 N PRO A 54 -9.645 -0.487 -1.421 1.00 0.00 N ATOM 819 CA PRO A 54 -9.205 -1.177 -2.644 1.00 0.00 C ATOM 820 C PRO A 54 -9.386 -0.357 -3.922 1.00 0.00 C ATOM 821 O PRO A 54 -8.412 0.024 -4.569 1.00 0.00 O ATOM 822 CB PRO A 54 -10.097 -2.411 -2.683 1.00 0.00 C ATOM 823 CG PRO A 54 -10.446 -2.676 -1.258 1.00 0.00 C ATOM 824 CD PRO A 54 -10.532 -1.330 -0.598 1.00 0.00 C ATOM 0 HA PRO A 54 -8.135 -1.385 -2.612 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.990 -2.234 -3.282 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -9.578 -3.260 -3.127 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.393 -3.210 -1.181 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.689 -3.298 -0.780 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.554 -0.951 -0.591 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.200 -1.369 0.439 1.00 0.00 H new ATOM 832 N GLN A 55 -10.632 -0.101 -4.294 1.00 0.00 N ATOM 833 CA GLN A 55 -10.917 0.672 -5.498 1.00 0.00 C ATOM 834 C GLN A 55 -10.692 2.161 -5.252 1.00 0.00 C ATOM 835 O GLN A 55 -10.220 2.886 -6.127 1.00 0.00 O ATOM 836 CB GLN A 55 -12.347 0.432 -5.972 1.00 0.00 C ATOM 837 CG GLN A 55 -12.728 -1.036 -6.032 1.00 0.00 C ATOM 838 CD GLN A 55 -13.890 -1.295 -6.968 1.00 0.00 C ATOM 839 OE1 GLN A 55 -14.037 -0.628 -7.992 1.00 0.00 O ATOM 840 NE2 GLN A 55 -14.723 -2.267 -6.620 1.00 0.00 N ATOM 0 H GLN A 55 -11.458 -0.414 -3.784 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.231 0.339 -6.277 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -13.034 0.950 -5.304 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.472 0.872 -6.961 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.866 -1.619 -6.358 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.987 -1.382 -5.031 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.562 -2.794 -5.762 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.525 -2.487 -7.211 1.00 0.00 H new ATOM 849 N GLU A 56 -11.052 2.602 -4.049 1.00 0.00 N ATOM 850 CA GLU A 56 -10.918 4.006 -3.656 1.00 0.00 C ATOM 851 C GLU A 56 -9.462 4.470 -3.669 1.00 0.00 C ATOM 852 O GLU A 56 -9.187 5.668 -3.730 1.00 0.00 O ATOM 853 CB GLU A 56 -11.509 4.213 -2.260 1.00 0.00 C ATOM 854 CG GLU A 56 -12.786 5.037 -2.249 1.00 0.00 C ATOM 855 CD GLU A 56 -13.942 4.300 -1.599 1.00 0.00 C ATOM 856 OE1 GLU A 56 -14.390 3.280 -2.166 1.00 0.00 O ATOM 857 OE2 GLU A 56 -14.400 4.744 -0.525 1.00 0.00 O ATOM 0 H GLU A 56 -11.442 2.002 -3.322 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.464 4.604 -4.386 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.712 3.239 -1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.766 4.703 -1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.608 5.971 -1.716 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.055 5.300 -3.272 1.00 0.00 H new ATOM 864 N VAL A 57 -8.531 3.524 -3.619 1.00 0.00 N ATOM 865 CA VAL A 57 -7.112 3.861 -3.631 1.00 0.00 C ATOM 866 C VAL A 57 -6.599 3.991 -5.059 1.00 0.00 C ATOM 867 O VAL A 57 -5.674 4.754 -5.331 1.00 0.00 O ATOM 868 CB VAL A 57 -6.269 2.817 -2.873 1.00 0.00 C ATOM 869 CG1 VAL A 57 -6.357 1.463 -3.550 1.00 0.00 C ATOM 870 CG2 VAL A 57 -4.820 3.268 -2.758 1.00 0.00 C ATOM 0 H VAL A 57 -8.731 2.525 -3.570 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.008 4.819 -3.122 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.674 2.723 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.755 0.741 -2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.395 1.132 -3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.984 1.542 -4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.246 2.514 -2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.400 3.400 -3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.775 4.213 -2.217 1.00 0.00 H new ATOM 880 N PHE A 58 -7.218 3.238 -5.968 1.00 0.00 N ATOM 881 CA PHE A 58 -6.850 3.253 -7.385 1.00 0.00 C ATOM 882 C PHE A 58 -6.483 4.657 -7.876 1.00 0.00 C ATOM 883 O PHE A 58 -5.411 4.857 -8.441 1.00 0.00 O ATOM 884 CB PHE A 58 -7.999 2.713 -8.238 1.00 0.00 C ATOM 885 CG PHE A 58 -8.176 1.226 -8.180 1.00 0.00 C ATOM 886 CD1 PHE A 58 -7.626 0.476 -7.152 1.00 0.00 C ATOM 887 CD2 PHE A 58 -8.903 0.581 -9.164 1.00 0.00 C ATOM 888 CE1 PHE A 58 -7.803 -0.893 -7.112 1.00 0.00 C ATOM 889 CE2 PHE A 58 -9.083 -0.783 -9.127 1.00 0.00 C ATOM 890 CZ PHE A 58 -8.534 -1.520 -8.102 1.00 0.00 C ATOM 0 H PHE A 58 -7.985 2.603 -5.745 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.971 2.616 -7.488 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.926 3.188 -7.918 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.833 3.005 -9.275 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.055 0.966 -6.377 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -9.335 1.154 -9.971 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.371 -1.472 -6.309 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -9.654 -1.274 -9.901 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.675 -2.590 -8.072 1.00 0.00 H new ATOM 900 N PRO A 59 -7.373 5.652 -7.679 1.00 0.00 N ATOM 901 CA PRO A 59 -7.123 7.027 -8.124 1.00 0.00 C ATOM 902 C PRO A 59 -5.908 7.651 -7.444 1.00 0.00 C ATOM 903 O PRO A 59 -5.262 8.540 -8.002 1.00 0.00 O ATOM 904 CB PRO A 59 -8.410 7.776 -7.754 1.00 0.00 C ATOM 905 CG PRO A 59 -9.056 6.939 -6.705 1.00 0.00 C ATOM 906 CD PRO A 59 -8.684 5.518 -7.022 1.00 0.00 C ATOM 0 HA PRO A 59 -6.894 7.070 -9.189 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.191 8.776 -7.381 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -9.061 7.894 -8.620 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.708 7.221 -5.711 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -10.138 7.070 -6.713 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.622 4.907 -6.121 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -9.416 5.047 -7.677 1.00 0.00 H new ATOM 914 N LEU A 60 -5.584 7.178 -6.243 1.00 0.00 N ATOM 915 CA LEU A 60 -4.432 7.693 -5.512 1.00 0.00 C ATOM 916 C LEU A 60 -3.146 6.998 -5.963 1.00 0.00 C ATOM 917 O LEU A 60 -2.155 7.656 -6.285 1.00 0.00 O ATOM 918 CB LEU A 60 -4.626 7.506 -4.003 1.00 0.00 C ATOM 919 CG LEU A 60 -3.337 7.588 -3.174 1.00 0.00 C ATOM 920 CD1 LEU A 60 -3.424 8.686 -2.140 1.00 0.00 C ATOM 921 CD2 LEU A 60 -3.034 6.253 -2.511 1.00 0.00 C ATOM 0 H LEU A 60 -6.100 6.443 -5.759 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.345 8.758 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.322 8.264 -3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.093 6.537 -3.828 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.519 7.827 -3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.497 8.721 -1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.579 9.643 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.258 8.487 -1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.116 6.336 -1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.858 5.979 -1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.911 5.486 -3.276 1.00 0.00 H new ATOM 933 N LEU A 61 -3.159 5.665 -5.951 1.00 0.00 N ATOM 934 CA LEU A 61 -1.983 4.878 -6.329 1.00 0.00 C ATOM 935 C LEU A 61 -1.574 5.093 -7.790 1.00 0.00 C ATOM 936 O LEU A 61 -0.528 4.601 -8.218 1.00 0.00 O ATOM 937 CB LEU A 61 -2.228 3.381 -6.095 1.00 0.00 C ATOM 938 CG LEU A 61 -3.555 2.834 -6.618 1.00 0.00 C ATOM 939 CD1 LEU A 61 -3.482 2.589 -8.112 1.00 0.00 C ATOM 940 CD2 LEU A 61 -3.921 1.553 -5.887 1.00 0.00 C ATOM 0 H LEU A 61 -3.970 5.107 -5.684 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.169 5.226 -5.694 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.417 2.822 -6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.173 3.186 -5.024 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.331 3.576 -6.432 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.437 2.200 -8.464 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.261 3.526 -8.624 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.695 1.865 -8.324 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.869 1.174 -6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.141 0.808 -6.046 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.016 1.757 -4.820 1.00 0.00 H new ATOM 952 N GLU A 62 -2.390 5.813 -8.557 1.00 0.00 N ATOM 953 CA GLU A 62 -2.085 6.064 -9.963 1.00 0.00 C ATOM 954 C GLU A 62 -1.654 7.517 -10.192 1.00 0.00 C ATOM 955 O GLU A 62 -1.235 7.882 -11.294 1.00 0.00 O ATOM 956 CB GLU A 62 -3.308 5.744 -10.830 1.00 0.00 C ATOM 957 CG GLU A 62 -4.471 6.703 -10.620 1.00 0.00 C ATOM 958 CD GLU A 62 -5.076 7.180 -11.924 1.00 0.00 C ATOM 959 OE1 GLU A 62 -4.307 7.440 -12.874 1.00 0.00 O ATOM 960 OE2 GLU A 62 -6.317 7.293 -11.996 1.00 0.00 O ATOM 0 H GLU A 62 -3.262 6.230 -8.231 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.256 5.416 -10.246 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.015 5.766 -11.880 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.641 4.729 -10.613 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.240 6.210 -10.026 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.128 7.564 -10.047 1.00 0.00 H new ATOM 967 N SER A 63 -1.766 8.345 -9.157 1.00 0.00 N ATOM 968 CA SER A 63 -1.398 9.753 -9.266 1.00 0.00 C ATOM 969 C SER A 63 -0.133 10.061 -8.472 1.00 0.00 C ATOM 970 O SER A 63 -0.040 9.753 -7.284 1.00 0.00 O ATOM 971 CB SER A 63 -2.548 10.632 -8.777 1.00 0.00 C ATOM 972 OG SER A 63 -2.270 12.007 -8.985 1.00 0.00 O ATOM 0 H SER A 63 -2.107 8.067 -8.237 1.00 0.00 H new ATOM 0 HA SER A 63 -1.197 9.968 -10.316 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.464 10.361 -9.301 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.722 10.450 -7.716 1.00 0.00 H new ATOM 0 HG SER A 63 -3.024 12.545 -8.664 1.00 0.00 H new ATOM 978 N ASP A 64 0.839 10.670 -9.143 1.00 0.00 N ATOM 979 CA ASP A 64 2.105 11.028 -8.513 1.00 0.00 C ATOM 980 C ASP A 64 1.888 12.019 -7.373 1.00 0.00 C ATOM 981 O ASP A 64 2.407 11.834 -6.272 1.00 0.00 O ATOM 982 CB ASP A 64 3.057 11.629 -9.549 1.00 0.00 C ATOM 983 CG ASP A 64 3.595 10.591 -10.513 1.00 0.00 C ATOM 984 OD1 ASP A 64 4.238 9.625 -10.049 1.00 0.00 O ATOM 985 OD2 ASP A 64 3.373 10.743 -11.734 1.00 0.00 O ATOM 0 H ASP A 64 0.774 10.927 -10.128 1.00 0.00 H new ATOM 0 HA ASP A 64 2.547 10.121 -8.101 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.536 12.405 -10.109 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.890 12.110 -9.036 1.00 0.00 H new ATOM 990 N GLU A 65 1.124 13.073 -7.645 1.00 0.00 N ATOM 991 CA GLU A 65 0.848 14.092 -6.639 1.00 0.00 C ATOM 992 C GLU A 65 0.132 13.494 -5.432 1.00 0.00 C ATOM 993 O GLU A 65 0.527 13.723 -4.288 1.00 0.00 O ATOM 994 CB GLU A 65 0.016 15.236 -7.237 1.00 0.00 C ATOM 995 CG GLU A 65 -1.266 14.782 -7.921 1.00 0.00 C ATOM 996 CD GLU A 65 -2.273 15.906 -8.076 1.00 0.00 C ATOM 997 OE1 GLU A 65 -2.713 16.454 -7.043 1.00 0.00 O ATOM 998 OE2 GLU A 65 -2.628 16.232 -9.228 1.00 0.00 O ATOM 0 H GLU A 65 0.687 13.243 -8.551 1.00 0.00 H new ATOM 0 HA GLU A 65 1.804 14.494 -6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.238 15.939 -6.444 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.628 15.777 -7.959 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.025 14.376 -8.904 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.715 13.974 -7.344 1.00 0.00 H new ATOM 1005 N LEU A 66 -0.919 12.729 -5.694 1.00 0.00 N ATOM 1006 CA LEU A 66 -1.691 12.102 -4.633 1.00 0.00 C ATOM 1007 C LEU A 66 -0.826 11.135 -3.830 1.00 0.00 C ATOM 1008 O LEU A 66 -1.082 10.890 -2.650 1.00 0.00 O ATOM 1009 CB LEU A 66 -2.901 11.379 -5.222 1.00 0.00 C ATOM 1010 CG LEU A 66 -4.251 11.907 -4.749 1.00 0.00 C ATOM 1011 CD1 LEU A 66 -4.387 11.721 -3.250 1.00 0.00 C ATOM 1012 CD2 LEU A 66 -4.417 13.373 -5.129 1.00 0.00 C ATOM 0 H LEU A 66 -1.256 12.528 -6.635 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.043 12.880 -3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.858 11.453 -6.309 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.832 10.320 -4.971 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.041 11.340 -5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.355 12.101 -2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.312 10.661 -3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.592 12.267 -2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.387 13.731 -4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.626 13.961 -4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.358 13.477 -6.212 1.00 0.00 H new ATOM 1024 N PHE A 67 0.205 10.598 -4.476 1.00 0.00 N ATOM 1025 CA PHE A 67 1.116 9.668 -3.820 1.00 0.00 C ATOM 1026 C PHE A 67 2.136 10.409 -2.973 1.00 0.00 C ATOM 1027 O PHE A 67 2.315 10.103 -1.799 1.00 0.00 O ATOM 1028 CB PHE A 67 1.847 8.795 -4.841 1.00 0.00 C ATOM 1029 CG PHE A 67 2.230 7.454 -4.286 1.00 0.00 C ATOM 1030 CD1 PHE A 67 1.278 6.461 -4.149 1.00 0.00 C ATOM 1031 CD2 PHE A 67 3.533 7.189 -3.882 1.00 0.00 C ATOM 1032 CE1 PHE A 67 1.614 5.232 -3.625 1.00 0.00 C ATOM 1033 CE2 PHE A 67 3.868 5.957 -3.354 1.00 0.00 C ATOM 1034 CZ PHE A 67 2.903 4.979 -3.227 1.00 0.00 C ATOM 0 H PHE A 67 0.430 10.791 -5.452 1.00 0.00 H new ATOM 0 HA PHE A 67 0.512 9.029 -3.176 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.211 8.654 -5.715 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.744 9.313 -5.180 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.260 6.651 -4.456 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.290 7.953 -3.982 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.860 4.465 -3.527 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.883 5.760 -3.041 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.162 4.015 -2.815 1.00 0.00 H new ATOM 1044 N GLU A 68 2.802 11.388 -3.573 1.00 0.00 N ATOM 1045 CA GLU A 68 3.813 12.173 -2.871 1.00 0.00 C ATOM 1046 C GLU A 68 3.347 12.564 -1.471 1.00 0.00 C ATOM 1047 O GLU A 68 4.075 12.381 -0.501 1.00 0.00 O ATOM 1048 CB GLU A 68 4.155 13.428 -3.670 1.00 0.00 C ATOM 1049 CG GLU A 68 4.989 13.150 -4.911 1.00 0.00 C ATOM 1050 CD GLU A 68 6.480 13.202 -4.637 1.00 0.00 C ATOM 1051 OE1 GLU A 68 6.930 12.545 -3.674 1.00 0.00 O ATOM 1052 OE2 GLU A 68 7.198 13.898 -5.387 1.00 0.00 O ATOM 0 H GLU A 68 2.661 11.659 -4.546 1.00 0.00 H new ATOM 0 HA GLU A 68 4.703 11.551 -2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.230 13.923 -3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.696 14.122 -3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.730 12.167 -5.305 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.740 13.879 -5.682 1.00 0.00 H new ATOM 1059 N GLN A 69 2.135 13.108 -1.380 1.00 0.00 N ATOM 1060 CA GLN A 69 1.571 13.537 -0.098 1.00 0.00 C ATOM 1061 C GLN A 69 1.492 12.380 0.900 1.00 0.00 C ATOM 1062 O GLN A 69 2.107 12.421 1.970 1.00 0.00 O ATOM 1063 CB GLN A 69 0.173 14.125 -0.312 1.00 0.00 C ATOM 1064 CG GLN A 69 0.171 15.624 -0.575 1.00 0.00 C ATOM 1065 CD GLN A 69 -1.073 16.308 -0.040 1.00 0.00 C ATOM 1066 OE1 GLN A 69 -2.045 15.649 0.332 1.00 0.00 O ATOM 1067 NE2 GLN A 69 -1.050 17.636 0.000 1.00 0.00 N ATOM 0 H GLN A 69 1.522 13.263 -2.180 1.00 0.00 H new ATOM 0 HA GLN A 69 2.233 14.297 0.316 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.300 13.617 -1.153 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.436 13.919 0.568 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.053 16.071 -0.116 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.246 15.801 -1.648 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.223 18.142 -0.318 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.859 18.150 0.349 1.00 0.00 H new ATOM 1076 N HIS A 70 0.712 11.364 0.547 1.00 0.00 N ATOM 1077 CA HIS A 70 0.529 10.206 1.417 1.00 0.00 C ATOM 1078 C HIS A 70 1.859 9.491 1.627 1.00 0.00 C ATOM 1079 O HIS A 70 2.260 9.229 2.762 1.00 0.00 O ATOM 1080 CB HIS A 70 -0.511 9.250 0.824 1.00 0.00 C ATOM 1081 CG HIS A 70 -1.882 9.427 1.411 1.00 0.00 C ATOM 1082 ND1 HIS A 70 -2.201 9.048 2.697 1.00 0.00 N ATOM 1083 CD2 HIS A 70 -3.020 9.946 0.884 1.00 0.00 C ATOM 1084 CE1 HIS A 70 -3.469 9.325 2.939 1.00 0.00 C ATOM 1085 NE2 HIS A 70 -3.988 9.871 1.856 1.00 0.00 N ATOM 0 H HIS A 70 0.197 11.318 -0.332 1.00 0.00 H new ATOM 0 HA HIS A 70 0.164 10.549 2.385 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.562 9.403 -0.254 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.184 8.223 0.985 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.142 10.343 -0.113 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.992 9.137 3.865 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.953 10.187 1.756 1.00 0.00 H new ATOM 1093 N TYR A 71 2.551 9.194 0.536 1.00 0.00 N ATOM 1094 CA TYR A 71 3.845 8.534 0.618 1.00 0.00 C ATOM 1095 C TYR A 71 4.885 9.465 1.257 1.00 0.00 C ATOM 1096 O TYR A 71 5.975 9.026 1.616 1.00 0.00 O ATOM 1097 CB TYR A 71 4.287 8.070 -0.782 1.00 0.00 C ATOM 1098 CG TYR A 71 5.784 7.985 -0.992 1.00 0.00 C ATOM 1099 CD1 TYR A 71 6.496 6.858 -0.606 1.00 0.00 C ATOM 1100 CD2 TYR A 71 6.478 9.026 -1.591 1.00 0.00 C ATOM 1101 CE1 TYR A 71 7.859 6.773 -0.807 1.00 0.00 C ATOM 1102 CE2 TYR A 71 7.843 8.949 -1.797 1.00 0.00 C ATOM 1103 CZ TYR A 71 8.529 7.822 -1.402 1.00 0.00 C ATOM 1104 OH TYR A 71 9.890 7.739 -1.605 1.00 0.00 O ATOM 0 H TYR A 71 2.239 9.399 -0.413 1.00 0.00 H new ATOM 0 HA TYR A 71 3.758 7.654 1.255 1.00 0.00 H new ATOM 0 HB2 TYR A 71 3.853 7.089 -0.976 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.871 8.754 -1.522 1.00 0.00 H new ATOM 0 HD1 TYR A 71 5.975 6.034 -0.141 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.943 9.911 -1.902 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.399 5.889 -0.500 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.368 9.768 -2.265 1.00 0.00 H new ATOM 0 HH TYR A 71 10.207 8.560 -2.035 1.00 0.00 H new ATOM 1114 N LYS A 72 4.538 10.751 1.409 1.00 0.00 N ATOM 1115 CA LYS A 72 5.445 11.725 2.017 1.00 0.00 C ATOM 1116 C LYS A 72 5.798 11.310 3.438 1.00 0.00 C ATOM 1117 O LYS A 72 6.937 10.939 3.727 1.00 0.00 O ATOM 1118 CB LYS A 72 4.806 13.117 2.048 1.00 0.00 C ATOM 1119 CG LYS A 72 5.816 14.252 2.062 1.00 0.00 C ATOM 1120 CD LYS A 72 5.245 15.497 2.724 1.00 0.00 C ATOM 1121 CE LYS A 72 5.880 16.764 2.175 1.00 0.00 C ATOM 1122 NZ LYS A 72 4.885 17.858 2.009 1.00 0.00 N ATOM 0 H LYS A 72 3.639 11.136 1.120 1.00 0.00 H new ATOM 0 HA LYS A 72 6.351 11.758 1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.158 13.229 1.178 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.171 13.196 2.931 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.714 13.935 2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.116 14.487 1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.167 15.532 2.566 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.408 15.445 3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.672 17.093 2.847 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.346 16.549 1.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.359 18.704 1.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.142 17.554 1.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.458 18.082 2.931 1.00 0.00 H new ATOM 1136 N GLU A 73 4.806 11.380 4.320 1.00 0.00 N ATOM 1137 CA GLU A 73 4.996 11.015 5.719 1.00 0.00 C ATOM 1138 C GLU A 73 5.618 9.631 5.824 1.00 0.00 C ATOM 1139 O GLU A 73 6.493 9.390 6.655 1.00 0.00 O ATOM 1140 CB GLU A 73 3.658 11.034 6.458 1.00 0.00 C ATOM 1141 CG GLU A 73 3.350 12.359 7.135 1.00 0.00 C ATOM 1142 CD GLU A 73 2.259 13.137 6.424 1.00 0.00 C ATOM 1143 OE1 GLU A 73 1.355 12.498 5.847 1.00 0.00 O ATOM 1144 OE2 GLU A 73 2.312 14.384 6.446 1.00 0.00 O ATOM 0 H GLU A 73 3.861 11.687 4.090 1.00 0.00 H new ATOM 0 HA GLU A 73 5.667 11.742 6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.860 10.803 5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.657 10.244 7.209 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.047 12.174 8.166 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.257 12.963 7.173 1.00 0.00 H new ATOM 1151 N ALA A 74 5.164 8.731 4.964 1.00 0.00 N ATOM 1152 CA ALA A 74 5.674 7.372 4.944 1.00 0.00 C ATOM 1153 C ALA A 74 7.116 7.347 4.452 1.00 0.00 C ATOM 1154 O ALA A 74 7.914 6.512 4.877 1.00 0.00 O ATOM 1155 CB ALA A 74 4.800 6.496 4.064 1.00 0.00 C ATOM 0 H ALA A 74 4.441 8.920 4.270 1.00 0.00 H new ATOM 0 HA ALA A 74 5.652 6.980 5.961 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.193 5.479 4.058 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.782 6.489 4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.796 6.890 3.048 1.00 0.00 H new ATOM 1161 N SER A 75 7.447 8.273 3.556 1.00 0.00 N ATOM 1162 CA SER A 75 8.796 8.358 3.012 1.00 0.00 C ATOM 1163 C SER A 75 9.804 8.540 4.140 1.00 0.00 C ATOM 1164 O SER A 75 10.766 7.785 4.256 1.00 0.00 O ATOM 1165 CB SER A 75 8.904 9.511 2.012 1.00 0.00 C ATOM 1166 OG SER A 75 10.172 9.527 1.381 1.00 0.00 O ATOM 0 H SER A 75 6.800 8.973 3.193 1.00 0.00 H new ATOM 0 HA SER A 75 9.017 7.429 2.487 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.122 9.417 1.259 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.739 10.458 2.526 1.00 0.00 H new ATOM 0 HG SER A 75 10.212 10.273 0.746 1.00 0.00 H new ATOM 1172 N ALA A 76 9.574 9.549 4.972 1.00 0.00 N ATOM 1173 CA ALA A 76 10.457 9.828 6.103 1.00 0.00 C ATOM 1174 C ALA A 76 10.756 8.547 6.887 1.00 0.00 C ATOM 1175 O ALA A 76 11.874 8.336 7.356 1.00 0.00 O ATOM 1176 CB ALA A 76 9.832 10.875 7.012 1.00 0.00 C ATOM 0 H ALA A 76 8.784 10.189 4.886 1.00 0.00 H new ATOM 0 HA ALA A 76 11.399 10.218 5.717 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.499 11.074 7.851 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.671 11.795 6.450 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.877 10.507 7.388 1.00 0.00 H new ATOM 1182 N ALA A 77 9.745 7.692 7.011 1.00 0.00 N ATOM 1183 CA ALA A 77 9.892 6.424 7.724 1.00 0.00 C ATOM 1184 C ALA A 77 10.633 5.396 6.873 1.00 0.00 C ATOM 1185 O ALA A 77 11.116 4.386 7.379 1.00 0.00 O ATOM 1186 CB ALA A 77 8.531 5.887 8.121 1.00 0.00 C ATOM 0 H ALA A 77 8.814 7.853 6.627 1.00 0.00 H new ATOM 0 HA ALA A 77 10.480 6.608 8.623 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.653 4.943 8.651 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.032 6.606 8.771 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.928 5.726 7.227 1.00 0.00 H new ATOM 1192 N TYR A 78 10.724 5.678 5.582 1.00 0.00 N ATOM 1193 CA TYR A 78 11.413 4.807 4.641 1.00 0.00 C ATOM 1194 C TYR A 78 12.881 4.702 5.020 1.00 0.00 C ATOM 1195 O TYR A 78 13.423 3.609 5.164 1.00 0.00 O ATOM 1196 CB TYR A 78 11.280 5.380 3.223 1.00 0.00 C ATOM 1197 CG TYR A 78 11.610 4.415 2.100 1.00 0.00 C ATOM 1198 CD1 TYR A 78 12.578 3.430 2.251 1.00 0.00 C ATOM 1199 CD2 TYR A 78 10.953 4.502 0.876 1.00 0.00 C ATOM 1200 CE1 TYR A 78 12.878 2.560 1.226 1.00 0.00 C ATOM 1201 CE2 TYR A 78 11.251 3.634 -0.160 1.00 0.00 C ATOM 1202 CZ TYR A 78 12.213 2.662 0.019 1.00 0.00 C ATOM 1203 OH TYR A 78 12.519 1.795 -1.008 1.00 0.00 O ATOM 0 H TYR A 78 10.324 6.515 5.158 1.00 0.00 H new ATOM 0 HA TYR A 78 10.966 3.813 4.672 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.258 5.735 3.087 1.00 0.00 H new ATOM 0 HB3 TYR A 78 11.933 6.249 3.137 1.00 0.00 H new ATOM 0 HD1 TYR A 78 13.105 3.345 3.190 1.00 0.00 H new ATOM 0 HD2 TYR A 78 10.197 5.260 0.732 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.632 1.799 1.366 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.733 3.717 -1.104 1.00 0.00 H new ATOM 0 HH TYR A 78 11.961 2.000 -1.787 1.00 0.00 H new ATOM 1213 N GLU A 79 13.515 5.856 5.176 1.00 0.00 N ATOM 1214 CA GLU A 79 14.931 5.918 5.525 1.00 0.00 C ATOM 1215 C GLU A 79 15.197 5.366 6.922 1.00 0.00 C ATOM 1216 O GLU A 79 16.121 4.576 7.120 1.00 0.00 O ATOM 1217 CB GLU A 79 15.440 7.359 5.426 1.00 0.00 C ATOM 1218 CG GLU A 79 16.350 7.600 4.232 1.00 0.00 C ATOM 1219 CD GLU A 79 16.616 9.072 3.985 1.00 0.00 C ATOM 1220 OE1 GLU A 79 16.469 9.869 4.934 1.00 0.00 O ATOM 1221 OE2 GLU A 79 16.973 9.428 2.842 1.00 0.00 O ATOM 0 H GLU A 79 13.070 6.767 5.066 1.00 0.00 H new ATOM 0 HA GLU A 79 15.470 5.294 4.813 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.586 8.034 5.364 1.00 0.00 H new ATOM 0 HB3 GLU A 79 15.979 7.609 6.340 1.00 0.00 H new ATOM 0 HG2 GLU A 79 17.298 7.086 4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.898 7.163 3.342 1.00 0.00 H new ATOM 1228 N SER A 80 14.399 5.794 7.896 1.00 0.00 N ATOM 1229 CA SER A 80 14.573 5.349 9.270 1.00 0.00 C ATOM 1230 C SER A 80 14.474 3.831 9.382 1.00 0.00 C ATOM 1231 O SER A 80 15.330 3.192 9.991 1.00 0.00 O ATOM 1232 CB SER A 80 13.536 6.011 10.185 1.00 0.00 C ATOM 1233 OG SER A 80 14.134 6.986 11.027 1.00 0.00 O ATOM 0 H SER A 80 13.628 6.447 7.757 1.00 0.00 H new ATOM 0 HA SER A 80 15.572 5.648 9.588 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.760 6.478 9.579 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.049 5.250 10.795 1.00 0.00 H new ATOM 0 HG SER A 80 13.448 7.391 11.597 1.00 0.00 H new ATOM 1239 N PHE A 81 13.426 3.258 8.799 1.00 0.00 N ATOM 1240 CA PHE A 81 13.219 1.815 8.846 1.00 0.00 C ATOM 1241 C PHE A 81 14.236 1.072 7.977 1.00 0.00 C ATOM 1242 O PHE A 81 14.628 -0.051 8.294 1.00 0.00 O ATOM 1243 CB PHE A 81 11.798 1.467 8.389 1.00 0.00 C ATOM 1244 CG PHE A 81 10.903 0.976 9.495 1.00 0.00 C ATOM 1245 CD1 PHE A 81 10.263 1.871 10.339 1.00 0.00 C ATOM 1246 CD2 PHE A 81 10.696 -0.382 9.684 1.00 0.00 C ATOM 1247 CE1 PHE A 81 9.433 1.420 11.347 1.00 0.00 C ATOM 1248 CE2 PHE A 81 9.868 -0.838 10.693 1.00 0.00 C ATOM 1249 CZ PHE A 81 9.235 0.066 11.524 1.00 0.00 C ATOM 0 H PHE A 81 12.707 3.771 8.289 1.00 0.00 H new ATOM 0 HA PHE A 81 13.358 1.497 9.879 1.00 0.00 H new ATOM 0 HB2 PHE A 81 11.347 2.349 7.935 1.00 0.00 H new ATOM 0 HB3 PHE A 81 11.853 0.703 7.614 1.00 0.00 H new ATOM 0 HD1 PHE A 81 10.415 2.932 10.207 1.00 0.00 H new ATOM 0 HD2 PHE A 81 11.187 -1.092 9.035 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.939 2.127 11.997 1.00 0.00 H new ATOM 0 HE2 PHE A 81 9.716 -1.898 10.831 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.586 -0.287 12.312 1.00 0.00 H new ATOM 1259 N LYS A 82 14.647 1.693 6.876 1.00 0.00 N ATOM 1260 CA LYS A 82 15.603 1.067 5.964 1.00 0.00 C ATOM 1261 C LYS A 82 17.029 1.173 6.479 1.00 0.00 C ATOM 1262 O LYS A 82 17.708 0.165 6.671 1.00 0.00 O ATOM 1263 CB LYS A 82 15.507 1.691 4.579 1.00 0.00 C ATOM 1264 CG LYS A 82 14.531 0.967 3.674 1.00 0.00 C ATOM 1265 CD LYS A 82 15.050 -0.408 3.278 1.00 0.00 C ATOM 1266 CE LYS A 82 14.096 -1.520 3.692 1.00 0.00 C ATOM 1267 NZ LYS A 82 14.056 -1.704 5.166 1.00 0.00 N ATOM 0 H LYS A 82 14.337 2.623 6.593 1.00 0.00 H new ATOM 0 HA LYS A 82 15.345 0.010 5.903 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.201 2.733 4.676 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.494 1.690 4.116 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.572 0.862 4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.354 1.562 2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.199 -0.442 2.199 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.023 -0.575 3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.094 -1.291 3.329 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.401 -2.453 3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.575 -2.598 5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.026 -1.729 5.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.538 -0.914 5.601 1.00 0.00 H new