USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=15 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 Single : A 20 GLN : amide:sc= -0.3 K(o=-0.3,f=-1.6) USER MOD Single : A 22 GLN : amide:sc= -0.242 K(o=-0.24,f=-2.4!) USER MOD Single : A 27 GLN : amide:sc= -0.0981 X(o=-0.098,f=-0.57) USER MOD Single : A 29 TYR OH : rot 180:sc= -3.53! USER MOD Single : A 30 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.00191) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 130:sc= -0.513 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -57:sc= 0.21 USER MOD Single : A 38 ASN : amide:sc= -0.408 K(o=-0.41,f=-2.6!) USER MOD Single : A 44 LYS NZ :NH3+ 173:sc= 1.11 (180deg=1.06) USER MOD Single : A 46 THR OG1 : rot 95:sc= 0.943 USER MOD Single : A 48 MET CE :methyl -148:sc=-0.00714 (180deg=-1.42) USER MOD Single : A 55 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0317 X(o=-0.032,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.51 X(o=-0.51,f=-0.042) USER MOD Single : A 71 TYR OH : rot -9:sc= 0.0504 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 61:sc= 1.27 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.728 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -118:sc= -0.0135 (180deg=-0.0224) USER MOD ----------------------------------------------------------------- ATOM 291 N GLN A 20 -9.066 -7.030 -9.684 1.00 0.00 N ATOM 292 CA GLN A 20 -9.057 -5.594 -9.960 1.00 0.00 C ATOM 293 C GLN A 20 -8.514 -4.820 -8.762 1.00 0.00 C ATOM 294 O GLN A 20 -7.640 -3.965 -8.905 1.00 0.00 O ATOM 295 CB GLN A 20 -10.468 -5.107 -10.302 1.00 0.00 C ATOM 296 CG GLN A 20 -10.781 -5.133 -11.791 1.00 0.00 C ATOM 297 CD GLN A 20 -9.861 -4.236 -12.598 1.00 0.00 C ATOM 298 OE1 GLN A 20 -9.134 -3.413 -12.044 1.00 0.00 O ATOM 299 NE2 GLN A 20 -9.890 -4.392 -13.916 1.00 0.00 N ATOM 0 HA GLN A 20 -8.405 -5.415 -10.815 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.194 -5.727 -9.776 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.591 -4.089 -9.932 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.698 -6.156 -12.158 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.814 -4.821 -11.947 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.509 -5.087 -14.334 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.294 -3.817 -14.511 1.00 0.00 H new ATOM 308 N ARG A 21 -9.042 -5.135 -7.580 1.00 0.00 N ATOM 309 CA ARG A 21 -8.626 -4.488 -6.339 1.00 0.00 C ATOM 310 C ARG A 21 -7.111 -4.551 -6.157 1.00 0.00 C ATOM 311 O ARG A 21 -6.432 -3.525 -6.141 1.00 0.00 O ATOM 312 CB ARG A 21 -9.319 -5.158 -5.157 1.00 0.00 C ATOM 313 CG ARG A 21 -10.616 -4.478 -4.754 1.00 0.00 C ATOM 314 CD ARG A 21 -11.816 -5.079 -5.465 1.00 0.00 C ATOM 315 NE ARG A 21 -13.051 -4.857 -4.714 1.00 0.00 N ATOM 316 CZ ARG A 21 -13.861 -5.832 -4.298 1.00 0.00 C ATOM 317 NH1 ARG A 21 -13.619 -7.095 -4.627 1.00 0.00 N ATOM 318 NH2 ARG A 21 -14.927 -5.539 -3.564 1.00 0.00 N ATOM 0 H ARG A 21 -9.766 -5.842 -7.457 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.913 -3.438 -6.389 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.526 -6.198 -5.408 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.641 -5.165 -4.304 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.752 -4.565 -3.676 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.554 -3.414 -4.982 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.909 -4.640 -6.458 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.660 -6.149 -5.603 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.310 -3.895 -4.494 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.809 -7.326 -5.202 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.243 -7.835 -4.305 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.126 -4.569 -3.319 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -15.547 -6.284 -3.245 1.00 0.00 H new ATOM 332 N GLN A 22 -6.589 -5.767 -6.016 1.00 0.00 N ATOM 333 CA GLN A 22 -5.156 -5.969 -5.828 1.00 0.00 C ATOM 334 C GLN A 22 -4.360 -5.498 -7.042 1.00 0.00 C ATOM 335 O GLN A 22 -3.159 -5.247 -6.944 1.00 0.00 O ATOM 336 CB GLN A 22 -4.857 -7.444 -5.548 1.00 0.00 C ATOM 337 CG GLN A 22 -4.794 -7.777 -4.067 1.00 0.00 C ATOM 338 CD GLN A 22 -6.112 -8.305 -3.536 1.00 0.00 C ATOM 339 OE1 GLN A 22 -7.004 -8.666 -4.302 1.00 0.00 O ATOM 340 NE2 GLN A 22 -6.242 -8.351 -2.216 1.00 0.00 N ATOM 0 H GLN A 22 -7.137 -6.627 -6.028 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.849 -5.371 -4.970 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.625 -8.058 -6.018 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.907 -7.709 -6.013 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.014 -8.519 -3.897 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.512 -6.884 -3.509 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.477 -8.042 -1.617 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.107 -8.696 -1.800 1.00 0.00 H new ATOM 349 N ALA A 23 -5.027 -5.377 -8.185 1.00 0.00 N ATOM 350 CA ALA A 23 -4.360 -4.931 -9.405 1.00 0.00 C ATOM 351 C ALA A 23 -3.794 -3.531 -9.223 1.00 0.00 C ATOM 352 O ALA A 23 -2.581 -3.340 -9.137 1.00 0.00 O ATOM 353 CB ALA A 23 -5.323 -4.957 -10.583 1.00 0.00 C ATOM 0 H ALA A 23 -6.021 -5.579 -8.293 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.538 -5.616 -9.612 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.807 -4.621 -11.482 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.688 -5.973 -10.732 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.165 -4.295 -10.379 1.00 0.00 H new ATOM 359 N LEU A 24 -4.688 -2.555 -9.157 1.00 0.00 N ATOM 360 CA LEU A 24 -4.291 -1.172 -8.974 1.00 0.00 C ATOM 361 C LEU A 24 -3.643 -0.987 -7.606 1.00 0.00 C ATOM 362 O LEU A 24 -2.708 -0.203 -7.450 1.00 0.00 O ATOM 363 CB LEU A 24 -5.508 -0.266 -9.126 1.00 0.00 C ATOM 364 CG LEU A 24 -5.815 0.170 -10.556 1.00 0.00 C ATOM 365 CD1 LEU A 24 -4.628 0.903 -11.166 1.00 0.00 C ATOM 366 CD2 LEU A 24 -6.187 -1.041 -11.392 1.00 0.00 C ATOM 0 H LEU A 24 -5.695 -2.699 -9.228 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.558 -0.902 -9.734 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.380 -0.784 -8.725 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.358 0.624 -8.515 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.658 0.860 -10.539 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.871 1.204 -12.185 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.402 1.788 -10.571 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.761 0.243 -11.179 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.405 -0.726 -12.412 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.356 -1.746 -11.400 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.067 -1.522 -10.965 1.00 0.00 H new ATOM 378 N GLY A 25 -4.133 -1.724 -6.612 1.00 0.00 N ATOM 379 CA GLY A 25 -3.564 -1.618 -5.282 1.00 0.00 C ATOM 380 C GLY A 25 -2.100 -2.001 -5.289 1.00 0.00 C ATOM 381 O GLY A 25 -1.276 -1.386 -4.605 1.00 0.00 O ATOM 0 H GLY A 25 -4.905 -2.385 -6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.675 -0.598 -4.915 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.110 -2.265 -4.596 1.00 0.00 H new ATOM 385 N GLU A 26 -1.771 -3.005 -6.098 1.00 0.00 N ATOM 386 CA GLU A 26 -0.393 -3.452 -6.234 1.00 0.00 C ATOM 387 C GLU A 26 0.471 -2.294 -6.717 1.00 0.00 C ATOM 388 O GLU A 26 1.667 -2.236 -6.430 1.00 0.00 O ATOM 389 CB GLU A 26 -0.299 -4.617 -7.221 1.00 0.00 C ATOM 390 CG GLU A 26 -0.252 -5.982 -6.553 1.00 0.00 C ATOM 391 CD GLU A 26 0.870 -6.856 -7.080 1.00 0.00 C ATOM 392 OE1 GLU A 26 2.039 -6.415 -7.039 1.00 0.00 O ATOM 393 OE2 GLU A 26 0.582 -7.983 -7.535 1.00 0.00 O ATOM 0 H GLU A 26 -2.441 -3.522 -6.667 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.037 -3.794 -5.262 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.155 -4.581 -7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.594 -4.491 -7.834 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.130 -5.851 -5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.204 -6.489 -6.706 1.00 0.00 H new ATOM 400 N GLN A 27 -0.148 -1.367 -7.452 1.00 0.00 N ATOM 401 CA GLN A 27 0.569 -0.211 -7.963 1.00 0.00 C ATOM 402 C GLN A 27 1.058 0.661 -6.811 1.00 0.00 C ATOM 403 O GLN A 27 2.096 1.312 -6.912 1.00 0.00 O ATOM 404 CB GLN A 27 -0.303 0.593 -8.933 1.00 0.00 C ATOM 405 CG GLN A 27 0.129 0.455 -10.386 1.00 0.00 C ATOM 406 CD GLN A 27 -0.611 1.400 -11.312 1.00 0.00 C ATOM 407 OE1 GLN A 27 -1.550 1.003 -12.001 1.00 0.00 O ATOM 408 NE2 GLN A 27 -0.188 2.659 -11.336 1.00 0.00 N ATOM 0 H GLN A 27 -1.136 -1.399 -7.702 1.00 0.00 H new ATOM 0 HA GLN A 27 1.438 -0.564 -8.518 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.338 0.266 -8.836 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.273 1.645 -8.651 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.200 0.644 -10.461 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.037 -0.571 -10.714 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.595 2.945 -10.748 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.646 3.339 -11.942 1.00 0.00 H new ATOM 417 N LEU A 28 0.316 0.647 -5.706 1.00 0.00 N ATOM 418 CA LEU A 28 0.691 1.418 -4.523 1.00 0.00 C ATOM 419 C LEU A 28 2.052 0.963 -4.003 1.00 0.00 C ATOM 420 O LEU A 28 2.901 1.780 -3.643 1.00 0.00 O ATOM 421 CB LEU A 28 -0.362 1.245 -3.421 1.00 0.00 C ATOM 422 CG LEU A 28 -0.578 2.459 -2.513 1.00 0.00 C ATOM 423 CD1 LEU A 28 -1.046 3.659 -3.316 1.00 0.00 C ATOM 424 CD2 LEU A 28 -1.585 2.133 -1.421 1.00 0.00 C ATOM 0 H LEU A 28 -0.546 0.112 -5.605 1.00 0.00 H new ATOM 0 HA LEU A 28 0.749 2.470 -4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.313 0.991 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.075 0.396 -2.800 1.00 0.00 H new ATOM 0 HG LEU A 28 0.376 2.708 -2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.192 4.508 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.295 3.911 -4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.987 3.421 -3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.727 3.006 -0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.537 1.856 -1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.214 1.303 -0.820 1.00 0.00 H new ATOM 436 N TYR A 29 2.244 -0.353 -3.962 1.00 0.00 N ATOM 437 CA TYR A 29 3.493 -0.937 -3.479 1.00 0.00 C ATOM 438 C TYR A 29 4.645 -0.720 -4.463 1.00 0.00 C ATOM 439 O TYR A 29 5.718 -0.262 -4.074 1.00 0.00 O ATOM 440 CB TYR A 29 3.306 -2.432 -3.210 1.00 0.00 C ATOM 441 CG TYR A 29 4.584 -3.153 -2.835 1.00 0.00 C ATOM 442 CD1 TYR A 29 5.306 -2.792 -1.701 1.00 0.00 C ATOM 443 CD2 TYR A 29 5.068 -4.192 -3.618 1.00 0.00 C ATOM 444 CE1 TYR A 29 6.475 -3.450 -1.361 1.00 0.00 C ATOM 445 CE2 TYR A 29 6.232 -4.853 -3.284 1.00 0.00 C ATOM 446 CZ TYR A 29 6.932 -4.480 -2.158 1.00 0.00 C ATOM 447 OH TYR A 29 8.091 -5.139 -1.827 1.00 0.00 O ATOM 0 H TYR A 29 1.548 -1.037 -4.258 1.00 0.00 H new ATOM 0 HA TYR A 29 3.754 -0.430 -2.550 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.580 -2.559 -2.407 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.883 -2.901 -4.099 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.948 -1.986 -1.077 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.524 -4.488 -4.503 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.026 -3.160 -0.478 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.593 -5.660 -3.904 1.00 0.00 H new ATOM 0 HH TYR A 29 8.271 -5.837 -2.491 1.00 0.00 H new ATOM 457 N LYS A 30 4.430 -1.060 -5.733 1.00 0.00 N ATOM 458 CA LYS A 30 5.476 -0.900 -6.744 1.00 0.00 C ATOM 459 C LYS A 30 5.912 0.556 -6.855 1.00 0.00 C ATOM 460 O LYS A 30 7.088 0.844 -7.087 1.00 0.00 O ATOM 461 CB LYS A 30 5.000 -1.413 -8.105 1.00 0.00 C ATOM 462 CG LYS A 30 3.840 -0.623 -8.688 1.00 0.00 C ATOM 463 CD LYS A 30 3.255 -1.311 -9.917 1.00 0.00 C ATOM 464 CE LYS A 30 3.776 -0.702 -11.205 1.00 0.00 C ATOM 465 NZ LYS A 30 5.001 -1.396 -11.686 1.00 0.00 N ATOM 0 H LYS A 30 3.553 -1.443 -6.084 1.00 0.00 H new ATOM 0 HA LYS A 30 6.335 -1.493 -6.429 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.835 -1.385 -8.805 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.703 -2.457 -8.005 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.063 -0.504 -7.932 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.179 0.378 -8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.501 -2.372 -9.891 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.168 -1.235 -9.893 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.003 -0.755 -11.972 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.995 0.354 -11.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.653 -0.701 -12.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.466 -1.873 -10.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.741 -2.100 -12.406 1.00 0.00 H new ATOM 479 N LYS A 31 4.964 1.472 -6.686 1.00 0.00 N ATOM 480 CA LYS A 31 5.262 2.897 -6.764 1.00 0.00 C ATOM 481 C LYS A 31 6.265 3.283 -5.686 1.00 0.00 C ATOM 482 O LYS A 31 7.060 4.206 -5.863 1.00 0.00 O ATOM 483 CB LYS A 31 3.984 3.724 -6.613 1.00 0.00 C ATOM 484 CG LYS A 31 3.988 5.008 -7.425 1.00 0.00 C ATOM 485 CD LYS A 31 2.886 5.007 -8.473 1.00 0.00 C ATOM 486 CE LYS A 31 3.253 4.148 -9.672 1.00 0.00 C ATOM 487 NZ LYS A 31 3.465 4.967 -10.898 1.00 0.00 N ATOM 0 H LYS A 31 3.986 1.254 -6.495 1.00 0.00 H new ATOM 0 HA LYS A 31 5.695 3.105 -7.742 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.131 3.116 -6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.844 3.971 -5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.858 5.861 -6.759 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.955 5.129 -7.913 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.962 4.637 -8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.695 6.029 -8.802 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.159 3.584 -9.451 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.462 3.421 -9.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.713 4.344 -11.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.592 5.486 -11.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.237 5.644 -10.734 1.00 0.00 H new ATOM 501 N VAL A 32 6.233 2.555 -4.575 1.00 0.00 N ATOM 502 CA VAL A 32 7.155 2.807 -3.478 1.00 0.00 C ATOM 503 C VAL A 32 8.509 2.172 -3.761 1.00 0.00 C ATOM 504 O VAL A 32 9.550 2.814 -3.615 1.00 0.00 O ATOM 505 CB VAL A 32 6.625 2.256 -2.146 1.00 0.00 C ATOM 506 CG1 VAL A 32 7.540 2.677 -1.010 1.00 0.00 C ATOM 507 CG2 VAL A 32 5.200 2.725 -1.905 1.00 0.00 C ATOM 0 H VAL A 32 5.580 1.788 -4.412 1.00 0.00 H new ATOM 0 HA VAL A 32 7.257 3.889 -3.395 1.00 0.00 H new ATOM 0 HB VAL A 32 6.614 1.167 -2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.157 2.282 -0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.542 2.286 -1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.579 3.765 -0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.841 2.325 -0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.176 3.814 -1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.559 2.373 -2.713 1.00 0.00 H new ATOM 517 N SER A 33 8.486 0.907 -4.180 1.00 0.00 N ATOM 518 CA SER A 33 9.710 0.182 -4.503 1.00 0.00 C ATOM 519 C SER A 33 10.279 0.640 -5.847 1.00 0.00 C ATOM 520 O SER A 33 11.248 0.069 -6.349 1.00 0.00 O ATOM 521 CB SER A 33 9.441 -1.326 -4.534 1.00 0.00 C ATOM 522 OG SER A 33 8.113 -1.599 -4.946 1.00 0.00 O ATOM 0 H SER A 33 7.631 0.364 -4.303 1.00 0.00 H new ATOM 0 HA SER A 33 10.445 0.397 -3.728 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.143 -1.810 -5.214 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.612 -1.750 -3.544 1.00 0.00 H new ATOM 0 HG SER A 33 8.124 -2.268 -5.662 1.00 0.00 H new ATOM 528 N ALA A 34 9.671 1.676 -6.426 1.00 0.00 N ATOM 529 CA ALA A 34 10.118 2.213 -7.704 1.00 0.00 C ATOM 530 C ALA A 34 11.577 2.656 -7.634 1.00 0.00 C ATOM 531 O ALA A 34 12.242 2.791 -8.660 1.00 0.00 O ATOM 532 CB ALA A 34 9.226 3.374 -8.117 1.00 0.00 C ATOM 0 H ALA A 34 8.866 2.158 -6.026 1.00 0.00 H new ATOM 0 HA ALA A 34 10.046 1.425 -8.454 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.565 3.771 -9.074 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.197 3.026 -8.213 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.275 4.157 -7.361 1.00 0.00 H new ATOM 538 N LYS A 35 12.068 2.876 -6.418 1.00 0.00 N ATOM 539 CA LYS A 35 13.448 3.297 -6.217 1.00 0.00 C ATOM 540 C LYS A 35 14.310 2.143 -5.698 1.00 0.00 C ATOM 541 O LYS A 35 15.522 2.289 -5.539 1.00 0.00 O ATOM 542 CB LYS A 35 13.500 4.470 -5.235 1.00 0.00 C ATOM 543 CG LYS A 35 12.571 5.616 -5.605 1.00 0.00 C ATOM 544 CD LYS A 35 13.345 6.840 -6.066 1.00 0.00 C ATOM 545 CE LYS A 35 13.497 7.863 -4.948 1.00 0.00 C ATOM 546 NZ LYS A 35 12.627 9.055 -5.155 1.00 0.00 N ATOM 0 H LYS A 35 11.530 2.769 -5.558 1.00 0.00 H new ATOM 0 HA LYS A 35 13.849 3.613 -7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.241 4.111 -4.239 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.522 4.844 -5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.894 5.294 -6.396 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.955 5.878 -4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.331 6.536 -6.418 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.832 7.298 -6.912 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.250 7.396 -3.994 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.538 8.181 -4.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.763 9.724 -4.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.879 9.517 -6.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.631 8.757 -5.187 1.00 0.00 H new ATOM 560 N THR A 36 13.680 0.996 -5.436 1.00 0.00 N ATOM 561 CA THR A 36 14.399 -0.177 -4.938 1.00 0.00 C ATOM 562 C THR A 36 13.444 -1.355 -4.716 1.00 0.00 C ATOM 563 O THR A 36 12.253 -1.164 -4.472 1.00 0.00 O ATOM 564 CB THR A 36 15.132 0.165 -3.637 1.00 0.00 C ATOM 565 OG1 THR A 36 15.819 -0.969 -3.138 1.00 0.00 O ATOM 566 CG2 THR A 36 14.217 0.666 -2.542 1.00 0.00 C ATOM 0 H THR A 36 12.677 0.855 -5.560 1.00 0.00 H new ATOM 0 HA THR A 36 15.131 -0.472 -5.690 1.00 0.00 H new ATOM 0 HB THR A 36 15.824 0.965 -3.899 1.00 0.00 H new ATOM 0 HG1 THR A 36 16.283 -0.732 -2.308 1.00 0.00 H new ATOM 0 HG21 THR A 36 14.804 0.888 -1.651 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.709 1.570 -2.877 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.477 -0.099 -2.307 1.00 0.00 H new ATOM 574 N SER A 37 13.972 -2.577 -4.804 1.00 0.00 N ATOM 575 CA SER A 37 13.158 -3.777 -4.613 1.00 0.00 C ATOM 576 C SER A 37 13.190 -4.239 -3.157 1.00 0.00 C ATOM 577 O SER A 37 13.195 -5.436 -2.870 1.00 0.00 O ATOM 578 CB SER A 37 13.639 -4.900 -5.535 1.00 0.00 C ATOM 579 OG SER A 37 12.683 -5.944 -5.608 1.00 0.00 O ATOM 0 H SER A 37 14.955 -2.761 -5.005 1.00 0.00 H new ATOM 0 HA SER A 37 12.128 -3.528 -4.867 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.824 -4.502 -6.533 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.586 -5.295 -5.169 1.00 0.00 H new ATOM 0 HG SER A 37 12.500 -6.283 -4.707 1.00 0.00 H new ATOM 585 N ASN A 38 13.191 -3.273 -2.247 1.00 0.00 N ATOM 586 CA ASN A 38 13.194 -3.556 -0.816 1.00 0.00 C ATOM 587 C ASN A 38 11.783 -3.915 -0.344 1.00 0.00 C ATOM 588 O ASN A 38 10.946 -3.033 -0.147 1.00 0.00 O ATOM 589 CB ASN A 38 13.729 -2.351 -0.045 1.00 0.00 C ATOM 590 CG ASN A 38 14.905 -2.699 0.845 1.00 0.00 C ATOM 591 OD1 ASN A 38 15.204 -3.871 1.070 1.00 0.00 O ATOM 592 ND2 ASN A 38 15.578 -1.675 1.359 1.00 0.00 N ATOM 0 H ASN A 38 13.190 -2.279 -2.476 1.00 0.00 H new ATOM 0 HA ASN A 38 13.847 -4.408 -0.625 1.00 0.00 H new ATOM 0 HB2 ASN A 38 14.030 -1.578 -0.752 1.00 0.00 H new ATOM 0 HB3 ASN A 38 12.929 -1.931 0.565 1.00 0.00 H new ATOM 0 HD21 ASN A 38 16.379 -1.845 1.968 1.00 0.00 H new ATOM 0 HD22 ASN A 38 15.294 -0.719 1.145 1.00 0.00 H new ATOM 599 N GLU A 39 11.516 -5.209 -0.184 1.00 0.00 N ATOM 600 CA GLU A 39 10.196 -5.674 0.238 1.00 0.00 C ATOM 601 C GLU A 39 9.813 -5.159 1.626 1.00 0.00 C ATOM 602 O GLU A 39 8.629 -5.005 1.931 1.00 0.00 O ATOM 603 CB GLU A 39 10.145 -7.206 0.215 1.00 0.00 C ATOM 604 CG GLU A 39 8.868 -7.767 -0.397 1.00 0.00 C ATOM 605 CD GLU A 39 8.373 -9.012 0.315 1.00 0.00 C ATOM 606 OE1 GLU A 39 9.141 -9.583 1.118 1.00 0.00 O ATOM 607 OE2 GLU A 39 7.216 -9.416 0.070 1.00 0.00 O ATOM 0 H GLU A 39 12.195 -5.954 -0.340 1.00 0.00 H new ATOM 0 HA GLU A 39 9.471 -5.271 -0.469 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.001 -7.581 -0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.243 -7.579 1.234 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.090 -7.004 -0.367 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.046 -8.001 -1.447 1.00 0.00 H new ATOM 614 N GLU A 40 10.806 -4.896 2.465 1.00 0.00 N ATOM 615 CA GLU A 40 10.550 -4.404 3.817 1.00 0.00 C ATOM 616 C GLU A 40 10.364 -2.884 3.844 1.00 0.00 C ATOM 617 O GLU A 40 9.750 -2.341 4.763 1.00 0.00 O ATOM 618 CB GLU A 40 11.689 -4.823 4.749 1.00 0.00 C ATOM 619 CG GLU A 40 11.570 -6.260 5.236 1.00 0.00 C ATOM 620 CD GLU A 40 12.217 -7.258 4.292 1.00 0.00 C ATOM 621 OE1 GLU A 40 13.444 -7.470 4.401 1.00 0.00 O ATOM 622 OE2 GLU A 40 11.497 -7.830 3.446 1.00 0.00 O ATOM 0 H GLU A 40 11.793 -5.014 2.237 1.00 0.00 H new ATOM 0 HA GLU A 40 9.618 -4.850 4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.639 -4.700 4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.709 -4.155 5.610 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.033 -6.345 6.219 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.516 -6.512 5.357 1.00 0.00 H new ATOM 629 N ALA A 41 10.882 -2.206 2.826 1.00 0.00 N ATOM 630 CA ALA A 41 10.763 -0.755 2.730 1.00 0.00 C ATOM 631 C ALA A 41 9.389 -0.347 2.226 1.00 0.00 C ATOM 632 O ALA A 41 8.588 0.229 2.962 1.00 0.00 O ATOM 633 CB ALA A 41 11.827 -0.211 1.808 1.00 0.00 C ATOM 0 H ALA A 41 11.389 -2.638 2.054 1.00 0.00 H new ATOM 0 HA ALA A 41 10.897 -0.339 3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.731 0.873 1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 41 12.812 -0.465 2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.707 -0.647 0.816 1.00 0.00 H new ATOM 639 N ALA A 42 9.126 -0.652 0.962 1.00 0.00 N ATOM 640 CA ALA A 42 7.853 -0.322 0.345 1.00 0.00 C ATOM 641 C ALA A 42 6.703 -0.974 1.094 1.00 0.00 C ATOM 642 O ALA A 42 5.608 -0.417 1.175 1.00 0.00 O ATOM 643 CB ALA A 42 7.853 -0.732 -1.118 1.00 0.00 C ATOM 0 H ALA A 42 9.782 -1.129 0.344 1.00 0.00 H new ATOM 0 HA ALA A 42 7.714 0.758 0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.893 -0.478 -1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.650 -0.205 -1.643 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.017 -1.807 -1.195 1.00 0.00 H new ATOM 649 N GLY A 43 6.962 -2.143 1.670 1.00 0.00 N ATOM 650 CA GLY A 43 5.935 -2.816 2.432 1.00 0.00 C ATOM 651 C GLY A 43 5.582 -2.022 3.670 1.00 0.00 C ATOM 652 O GLY A 43 4.464 -2.101 4.178 1.00 0.00 O ATOM 0 H GLY A 43 7.857 -2.630 1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.047 -2.951 1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.279 -3.810 2.717 1.00 0.00 H new ATOM 656 N LYS A 44 6.547 -1.239 4.140 1.00 0.00 N ATOM 657 CA LYS A 44 6.355 -0.400 5.311 1.00 0.00 C ATOM 658 C LYS A 44 5.439 0.769 4.973 1.00 0.00 C ATOM 659 O LYS A 44 4.427 0.998 5.637 1.00 0.00 O ATOM 660 CB LYS A 44 7.710 0.113 5.799 1.00 0.00 C ATOM 661 CG LYS A 44 7.927 -0.026 7.297 1.00 0.00 C ATOM 662 CD LYS A 44 7.673 -1.443 7.789 1.00 0.00 C ATOM 663 CE LYS A 44 8.947 -2.276 7.765 1.00 0.00 C ATOM 664 NZ LYS A 44 9.366 -2.699 9.131 1.00 0.00 N ATOM 0 H LYS A 44 7.475 -1.170 3.723 1.00 0.00 H new ATOM 0 HA LYS A 44 5.889 -0.987 6.102 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.500 -0.428 5.277 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.808 1.163 5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.949 0.263 7.542 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.266 0.663 7.823 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.276 -1.412 8.804 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.915 -1.916 7.165 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.791 -3.159 7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.748 -1.699 7.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.166 -3.360 9.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.654 -1.864 9.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.570 -3.169 9.608 1.00 0.00 H new ATOM 678 N ILE A 45 5.802 1.497 3.926 1.00 0.00 N ATOM 679 CA ILE A 45 5.019 2.637 3.477 1.00 0.00 C ATOM 680 C ILE A 45 3.638 2.190 3.020 1.00 0.00 C ATOM 681 O ILE A 45 2.637 2.860 3.274 1.00 0.00 O ATOM 682 CB ILE A 45 5.712 3.358 2.306 1.00 0.00 C ATOM 683 CG1 ILE A 45 7.071 3.920 2.728 1.00 0.00 C ATOM 684 CG2 ILE A 45 4.829 4.465 1.754 1.00 0.00 C ATOM 685 CD1 ILE A 45 7.868 4.440 1.562 1.00 0.00 C ATOM 0 H ILE A 45 6.638 1.316 3.370 1.00 0.00 H new ATOM 0 HA ILE A 45 4.928 3.321 4.321 1.00 0.00 H new ATOM 0 HB ILE A 45 5.879 2.623 1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.920 4.724 3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.641 3.141 3.235 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.340 4.960 0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.891 4.039 1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.622 5.191 2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.823 4.827 1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.046 3.631 0.853 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.314 5.239 1.070 1.00 0.00 H new ATOM 697 N THR A 46 3.598 1.048 2.342 1.00 0.00 N ATOM 698 CA THR A 46 2.346 0.499 1.842 1.00 0.00 C ATOM 699 C THR A 46 1.366 0.285 2.989 1.00 0.00 C ATOM 700 O THR A 46 0.171 0.537 2.850 1.00 0.00 O ATOM 701 CB THR A 46 2.599 -0.814 1.099 1.00 0.00 C ATOM 702 OG1 THR A 46 3.472 -0.607 0.001 1.00 0.00 O ATOM 703 CG2 THR A 46 1.336 -1.455 0.562 1.00 0.00 C ATOM 0 H THR A 46 4.421 0.485 2.127 1.00 0.00 H new ATOM 0 HA THR A 46 1.908 1.211 1.143 1.00 0.00 H new ATOM 0 HB THR A 46 3.040 -1.482 1.839 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.392 -0.809 0.272 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.589 -2.382 0.047 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.659 -1.672 1.388 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.850 -0.773 -0.136 1.00 0.00 H new ATOM 711 N GLY A 47 1.878 -0.175 4.128 1.00 0.00 N ATOM 712 CA GLY A 47 1.022 -0.407 5.276 1.00 0.00 C ATOM 713 C GLY A 47 0.354 0.869 5.738 1.00 0.00 C ATOM 714 O GLY A 47 -0.795 0.850 6.180 1.00 0.00 O ATOM 0 H GLY A 47 2.864 -0.390 4.275 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.261 -1.145 5.021 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.611 -0.826 6.092 1.00 0.00 H new ATOM 718 N MET A 48 1.061 1.987 5.601 1.00 0.00 N ATOM 719 CA MET A 48 0.510 3.280 5.975 1.00 0.00 C ATOM 720 C MET A 48 -0.509 3.711 4.931 1.00 0.00 C ATOM 721 O MET A 48 -1.631 4.094 5.261 1.00 0.00 O ATOM 722 CB MET A 48 1.613 4.332 6.088 1.00 0.00 C ATOM 723 CG MET A 48 2.743 3.936 7.022 1.00 0.00 C ATOM 724 SD MET A 48 3.768 5.340 7.497 1.00 0.00 S ATOM 725 CE MET A 48 5.290 4.511 7.946 1.00 0.00 C ATOM 0 H MET A 48 2.012 2.021 5.235 1.00 0.00 H new ATOM 0 HA MET A 48 0.028 3.188 6.948 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.023 4.523 5.096 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.176 5.267 6.437 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.326 3.475 7.917 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.365 3.184 6.537 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.785 5.066 8.742 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.066 3.502 8.292 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.946 4.459 7.077 1.00 0.00 H new ATOM 735 N ILE A 49 -0.108 3.626 3.661 1.00 0.00 N ATOM 736 CA ILE A 49 -0.983 3.985 2.549 1.00 0.00 C ATOM 737 C ILE A 49 -2.064 2.920 2.342 1.00 0.00 C ATOM 738 O ILE A 49 -2.846 2.993 1.394 1.00 0.00 O ATOM 739 CB ILE A 49 -0.189 4.166 1.231 1.00 0.00 C ATOM 740 CG1 ILE A 49 1.100 4.956 1.477 1.00 0.00 C ATOM 741 CG2 ILE A 49 -1.037 4.873 0.181 1.00 0.00 C ATOM 742 CD1 ILE A 49 2.130 4.789 0.380 1.00 0.00 C ATOM 0 H ILE A 49 0.820 3.311 3.379 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.451 4.935 2.807 1.00 0.00 H new ATOM 0 HB ILE A 49 0.072 3.175 0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.855 6.013 1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.536 4.639 2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.459 4.989 -0.736 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.929 4.281 -0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.331 5.855 0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.016 5.376 0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.404 3.737 0.295 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.713 5.133 -0.566 1.00 0.00 H new ATOM 754 N LEU A 50 -2.121 1.938 3.246 1.00 0.00 N ATOM 755 CA LEU A 50 -3.124 0.883 3.166 1.00 0.00 C ATOM 756 C LEU A 50 -4.467 1.378 3.708 1.00 0.00 C ATOM 757 O LEU A 50 -5.396 0.595 3.907 1.00 0.00 O ATOM 758 CB LEU A 50 -2.663 -0.354 3.944 1.00 0.00 C ATOM 759 CG LEU A 50 -2.715 -1.675 3.166 1.00 0.00 C ATOM 760 CD1 LEU A 50 -4.123 -1.944 2.652 1.00 0.00 C ATOM 761 CD2 LEU A 50 -1.715 -1.665 2.016 1.00 0.00 C ATOM 0 H LEU A 50 -1.484 1.855 4.038 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.251 0.609 2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.640 -0.190 4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.281 -0.453 4.837 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.442 -2.480 3.848 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.136 -2.886 2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.812 -2.005 3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.430 -1.134 1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.769 -2.612 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.951 -0.847 1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.708 -1.529 2.411 1.00 0.00 H new ATOM 773 N ASP A 51 -4.566 2.690 3.930 1.00 0.00 N ATOM 774 CA ASP A 51 -5.791 3.296 4.425 1.00 0.00 C ATOM 775 C ASP A 51 -6.763 3.519 3.271 1.00 0.00 C ATOM 776 O ASP A 51 -7.980 3.500 3.456 1.00 0.00 O ATOM 777 CB ASP A 51 -5.480 4.626 5.117 1.00 0.00 C ATOM 778 CG ASP A 51 -6.117 4.730 6.488 1.00 0.00 C ATOM 779 OD1 ASP A 51 -7.023 3.924 6.786 1.00 0.00 O ATOM 780 OD2 ASP A 51 -5.708 5.617 7.267 1.00 0.00 O ATOM 0 H ASP A 51 -3.805 3.351 3.772 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.250 2.624 5.150 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.400 4.738 5.212 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.832 5.447 4.493 1.00 0.00 H new ATOM 785 N LEU A 52 -6.213 3.722 2.076 1.00 0.00 N ATOM 786 CA LEU A 52 -7.030 3.937 0.892 1.00 0.00 C ATOM 787 C LEU A 52 -7.792 2.669 0.538 1.00 0.00 C ATOM 788 O LEU A 52 -7.184 1.633 0.267 1.00 0.00 O ATOM 789 CB LEU A 52 -6.164 4.350 -0.299 1.00 0.00 C ATOM 790 CG LEU A 52 -5.560 5.753 -0.219 1.00 0.00 C ATOM 791 CD1 LEU A 52 -6.625 6.773 0.152 1.00 0.00 C ATOM 792 CD2 LEU A 52 -4.413 5.783 0.778 1.00 0.00 C ATOM 0 H LEU A 52 -5.208 3.741 1.906 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.736 4.738 1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.353 3.630 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.767 4.284 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.165 6.016 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.176 7.765 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.411 6.769 -0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.052 6.517 1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.995 6.789 0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.781 5.499 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.639 5.082 0.464 1.00 0.00 H new ATOM 804 N PRO A 53 -9.135 2.726 0.530 1.00 0.00 N ATOM 805 CA PRO A 53 -9.959 1.567 0.198 1.00 0.00 C ATOM 806 C PRO A 53 -9.450 0.833 -1.038 1.00 0.00 C ATOM 807 O PRO A 53 -8.514 1.280 -1.700 1.00 0.00 O ATOM 808 CB PRO A 53 -11.336 2.168 -0.066 1.00 0.00 C ATOM 809 CG PRO A 53 -11.370 3.426 0.735 1.00 0.00 C ATOM 810 CD PRO A 53 -9.949 3.917 0.837 1.00 0.00 C ATOM 0 HA PRO A 53 -9.954 0.823 0.995 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.480 2.372 -1.127 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -12.129 1.485 0.238 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.003 4.172 0.255 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.787 3.243 1.725 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.755 4.725 0.132 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.731 4.303 1.833 1.00 0.00 H new ATOM 818 N PRO A 54 -10.064 -0.309 -1.362 1.00 0.00 N ATOM 819 CA PRO A 54 -9.665 -1.114 -2.519 1.00 0.00 C ATOM 820 C PRO A 54 -9.714 -0.331 -3.828 1.00 0.00 C ATOM 821 O PRO A 54 -8.687 -0.086 -4.454 1.00 0.00 O ATOM 822 CB PRO A 54 -10.680 -2.260 -2.537 1.00 0.00 C ATOM 823 CG PRO A 54 -11.275 -2.296 -1.169 1.00 0.00 C ATOM 824 CD PRO A 54 -11.188 -0.903 -0.623 1.00 0.00 C ATOM 0 HA PRO A 54 -8.631 -1.450 -2.434 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.447 -2.091 -3.293 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.197 -3.207 -2.779 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.311 -2.633 -1.207 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.735 -2.996 -0.531 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.113 -0.350 -0.788 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.005 -0.905 0.451 1.00 0.00 H new ATOM 832 N GLN A 55 -10.913 0.059 -4.240 1.00 0.00 N ATOM 833 CA GLN A 55 -11.086 0.823 -5.473 1.00 0.00 C ATOM 834 C GLN A 55 -10.708 2.289 -5.272 1.00 0.00 C ATOM 835 O GLN A 55 -10.227 2.949 -6.194 1.00 0.00 O ATOM 836 CB GLN A 55 -12.526 0.719 -5.981 1.00 0.00 C ATOM 837 CG GLN A 55 -13.569 1.182 -4.976 1.00 0.00 C ATOM 838 CD GLN A 55 -14.597 0.111 -4.668 1.00 0.00 C ATOM 839 OE1 GLN A 55 -14.140 -1.008 -4.117 1.00 0.00 O flip ATOM 840 NE2 GLN A 55 -15.787 0.286 -4.925 1.00 0.00 N flip ATOM 0 H GLN A 55 -11.780 -0.140 -3.741 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.418 0.395 -6.221 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.624 1.312 -6.890 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.731 -0.317 -6.252 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.072 1.479 -4.053 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -14.075 2.066 -5.364 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -16.094 1.162 -5.348 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -16.467 -0.445 -4.715 1.00 0.00 H new ATOM 849 N GLU A 56 -10.957 2.795 -4.065 1.00 0.00 N ATOM 850 CA GLU A 56 -10.675 4.191 -3.738 1.00 0.00 C ATOM 851 C GLU A 56 -9.179 4.499 -3.719 1.00 0.00 C ATOM 852 O GLU A 56 -8.784 5.665 -3.777 1.00 0.00 O ATOM 853 CB GLU A 56 -11.296 4.555 -2.390 1.00 0.00 C ATOM 854 CG GLU A 56 -11.805 5.985 -2.330 1.00 0.00 C ATOM 855 CD GLU A 56 -12.588 6.273 -1.065 1.00 0.00 C ATOM 856 OE1 GLU A 56 -13.657 5.654 -0.876 1.00 0.00 O ATOM 857 OE2 GLU A 56 -12.133 7.117 -0.264 1.00 0.00 O ATOM 0 H GLU A 56 -11.355 2.257 -3.295 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.122 4.797 -4.526 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.121 3.874 -2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.555 4.407 -1.604 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.960 6.670 -2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.438 6.178 -3.196 1.00 0.00 H new ATOM 864 N VAL A 57 -8.345 3.467 -3.646 1.00 0.00 N ATOM 865 CA VAL A 57 -6.898 3.669 -3.635 1.00 0.00 C ATOM 866 C VAL A 57 -6.373 3.808 -5.059 1.00 0.00 C ATOM 867 O VAL A 57 -5.386 4.500 -5.302 1.00 0.00 O ATOM 868 CB VAL A 57 -6.162 2.518 -2.907 1.00 0.00 C ATOM 869 CG1 VAL A 57 -6.428 1.187 -3.589 1.00 0.00 C ATOM 870 CG2 VAL A 57 -4.665 2.795 -2.813 1.00 0.00 C ATOM 0 H VAL A 57 -8.640 2.492 -3.594 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.700 4.589 -3.086 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.554 2.460 -1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.900 0.395 -3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.498 0.980 -3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.077 1.230 -4.620 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.174 1.970 -2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.250 2.894 -3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.500 3.719 -2.259 1.00 0.00 H new ATOM 880 N PHE A 58 -7.055 3.151 -5.997 1.00 0.00 N ATOM 881 CA PHE A 58 -6.679 3.198 -7.413 1.00 0.00 C ATOM 882 C PHE A 58 -6.341 4.623 -7.858 1.00 0.00 C ATOM 883 O PHE A 58 -5.277 4.864 -8.427 1.00 0.00 O ATOM 884 CB PHE A 58 -7.805 2.651 -8.295 1.00 0.00 C ATOM 885 CG PHE A 58 -8.077 1.186 -8.133 1.00 0.00 C ATOM 886 CD1 PHE A 58 -7.510 0.454 -7.100 1.00 0.00 C ATOM 887 CD2 PHE A 58 -8.913 0.540 -9.026 1.00 0.00 C ATOM 888 CE1 PHE A 58 -7.776 -0.896 -6.967 1.00 0.00 C ATOM 889 CE2 PHE A 58 -9.182 -0.804 -8.897 1.00 0.00 C ATOM 890 CZ PHE A 58 -8.615 -1.522 -7.869 1.00 0.00 C ATOM 0 H PHE A 58 -7.875 2.577 -5.802 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.792 2.575 -7.527 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.719 3.202 -8.075 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.558 2.847 -9.338 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.855 0.943 -6.394 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -9.361 1.098 -9.835 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.330 -1.459 -6.161 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -9.837 -1.294 -9.602 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.826 -2.576 -7.767 1.00 0.00 H new ATOM 900 N PRO A 59 -7.246 5.588 -7.608 1.00 0.00 N ATOM 901 CA PRO A 59 -7.029 6.988 -7.991 1.00 0.00 C ATOM 902 C PRO A 59 -5.761 7.566 -7.370 1.00 0.00 C ATOM 903 O PRO A 59 -5.054 8.350 -8.002 1.00 0.00 O ATOM 904 CB PRO A 59 -8.273 7.712 -7.456 1.00 0.00 C ATOM 905 CG PRO A 59 -9.298 6.645 -7.282 1.00 0.00 C ATOM 906 CD PRO A 59 -8.541 5.396 -6.934 1.00 0.00 C ATOM 0 HA PRO A 59 -6.895 7.098 -9.067 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.062 8.213 -6.512 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -8.615 8.477 -8.154 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -10.003 6.906 -6.493 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -9.878 6.508 -8.195 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.421 5.285 -5.856 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -9.052 4.502 -7.292 1.00 0.00 H new ATOM 914 N LEU A 60 -5.472 7.173 -6.133 1.00 0.00 N ATOM 915 CA LEU A 60 -4.282 7.656 -5.444 1.00 0.00 C ATOM 916 C LEU A 60 -3.030 6.964 -5.974 1.00 0.00 C ATOM 917 O LEU A 60 -2.037 7.619 -6.293 1.00 0.00 O ATOM 918 CB LEU A 60 -4.400 7.429 -3.934 1.00 0.00 C ATOM 919 CG LEU A 60 -3.076 7.518 -3.164 1.00 0.00 C ATOM 920 CD1 LEU A 60 -3.094 8.669 -2.175 1.00 0.00 C ATOM 921 CD2 LEU A 60 -2.773 6.205 -2.458 1.00 0.00 C ATOM 0 H LEU A 60 -6.043 6.525 -5.590 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.198 8.726 -5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.093 8.164 -3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.839 6.446 -3.762 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.282 7.709 -3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.143 8.707 -1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.249 9.606 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.903 8.521 -1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.830 6.291 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.574 5.977 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.698 5.405 -3.194 1.00 0.00 H new ATOM 933 N LEU A 61 -3.076 5.637 -6.043 1.00 0.00 N ATOM 934 CA LEU A 61 -1.934 4.856 -6.513 1.00 0.00 C ATOM 935 C LEU A 61 -1.598 5.153 -7.976 1.00 0.00 C ATOM 936 O LEU A 61 -0.560 4.717 -8.477 1.00 0.00 O ATOM 937 CB LEU A 61 -2.201 3.356 -6.354 1.00 0.00 C ATOM 938 CG LEU A 61 -3.529 2.876 -6.936 1.00 0.00 C ATOM 939 CD1 LEU A 61 -3.378 2.490 -8.394 1.00 0.00 C ATOM 940 CD2 LEU A 61 -4.077 1.710 -6.133 1.00 0.00 C ATOM 0 H LEU A 61 -3.889 5.080 -5.780 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.082 5.146 -5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.391 2.805 -6.831 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.174 3.107 -5.293 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.238 3.702 -6.876 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.339 2.152 -8.782 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.039 3.354 -8.966 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.647 1.686 -8.484 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.023 1.384 -6.565 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.364 0.886 -6.156 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.237 2.022 -5.101 1.00 0.00 H new ATOM 952 N GLU A 62 -2.475 5.880 -8.665 1.00 0.00 N ATOM 953 CA GLU A 62 -2.253 6.207 -10.071 1.00 0.00 C ATOM 954 C GLU A 62 -1.812 7.659 -10.241 1.00 0.00 C ATOM 955 O GLU A 62 -1.392 8.062 -11.327 1.00 0.00 O ATOM 956 CB GLU A 62 -3.532 5.966 -10.878 1.00 0.00 C ATOM 957 CG GLU A 62 -3.794 4.503 -11.201 1.00 0.00 C ATOM 958 CD GLU A 62 -3.969 4.255 -12.687 1.00 0.00 C ATOM 959 OE1 GLU A 62 -3.124 4.733 -13.471 1.00 0.00 O ATOM 960 OE2 GLU A 62 -4.954 3.585 -13.067 1.00 0.00 O ATOM 0 H GLU A 62 -3.341 6.252 -8.275 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.458 5.559 -10.440 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.381 6.362 -10.321 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.473 6.528 -11.810 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.965 3.899 -10.831 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.689 4.173 -10.674 1.00 0.00 H new ATOM 967 N SER A 63 -1.909 8.446 -9.173 1.00 0.00 N ATOM 968 CA SER A 63 -1.515 9.848 -9.228 1.00 0.00 C ATOM 969 C SER A 63 -0.191 10.069 -8.508 1.00 0.00 C ATOM 970 O SER A 63 -0.057 9.765 -7.322 1.00 0.00 O ATOM 971 CB SER A 63 -2.594 10.734 -8.607 1.00 0.00 C ATOM 972 OG SER A 63 -3.503 11.198 -9.591 1.00 0.00 O ATOM 0 H SER A 63 -2.255 8.138 -8.264 1.00 0.00 H new ATOM 0 HA SER A 63 -1.392 10.119 -10.277 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.134 10.174 -7.844 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.128 11.584 -8.108 1.00 0.00 H new ATOM 0 HG SER A 63 -4.184 11.761 -9.168 1.00 0.00 H new ATOM 978 N ASP A 64 0.784 10.605 -9.234 1.00 0.00 N ATOM 979 CA ASP A 64 2.100 10.875 -8.672 1.00 0.00 C ATOM 980 C ASP A 64 2.009 11.878 -7.527 1.00 0.00 C ATOM 981 O ASP A 64 2.492 11.623 -6.424 1.00 0.00 O ATOM 982 CB ASP A 64 3.039 11.407 -9.757 1.00 0.00 C ATOM 983 CG ASP A 64 4.466 10.928 -9.572 1.00 0.00 C ATOM 984 OD1 ASP A 64 4.729 9.734 -9.822 1.00 0.00 O ATOM 985 OD2 ASP A 64 5.321 11.750 -9.179 1.00 0.00 O ATOM 0 H ASP A 64 0.686 10.861 -10.216 1.00 0.00 H new ATOM 0 HA ASP A 64 2.499 9.940 -8.280 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.676 11.090 -10.735 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.020 12.497 -9.748 1.00 0.00 H new ATOM 990 N GLU A 65 1.384 13.022 -7.800 1.00 0.00 N ATOM 991 CA GLU A 65 1.223 14.065 -6.794 1.00 0.00 C ATOM 992 C GLU A 65 0.462 13.532 -5.588 1.00 0.00 C ATOM 993 O GLU A 65 0.910 13.665 -4.448 1.00 0.00 O ATOM 994 CB GLU A 65 0.484 15.270 -7.382 1.00 0.00 C ATOM 995 CG GLU A 65 1.408 16.338 -7.946 1.00 0.00 C ATOM 996 CD GLU A 65 1.784 17.387 -6.917 1.00 0.00 C ATOM 997 OE1 GLU A 65 2.326 17.012 -5.857 1.00 0.00 O ATOM 998 OE2 GLU A 65 1.537 18.585 -7.172 1.00 0.00 O ATOM 0 H GLU A 65 0.982 13.248 -8.710 1.00 0.00 H new ATOM 0 HA GLU A 65 2.215 14.382 -6.473 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.184 14.926 -8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.141 15.715 -6.608 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.314 15.866 -8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.922 16.823 -8.793 1.00 0.00 H new ATOM 1005 N LEU A 66 -0.684 12.915 -5.850 1.00 0.00 N ATOM 1006 CA LEU A 66 -1.504 12.345 -4.790 1.00 0.00 C ATOM 1007 C LEU A 66 -0.704 11.317 -3.997 1.00 0.00 C ATOM 1008 O LEU A 66 -0.944 11.107 -2.808 1.00 0.00 O ATOM 1009 CB LEU A 66 -2.765 11.708 -5.383 1.00 0.00 C ATOM 1010 CG LEU A 66 -4.080 12.156 -4.744 1.00 0.00 C ATOM 1011 CD1 LEU A 66 -4.185 11.628 -3.324 1.00 0.00 C ATOM 1012 CD2 LEU A 66 -4.196 13.673 -4.767 1.00 0.00 C ATOM 0 H LEU A 66 -1.066 12.797 -6.788 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.806 13.142 -4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.801 11.935 -6.449 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.684 10.625 -5.290 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.906 11.744 -5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.126 11.955 -2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.150 10.539 -3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.354 12.010 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.138 13.973 -4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.366 14.110 -4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.167 14.025 -5.798 1.00 0.00 H new ATOM 1024 N PHE A 67 0.263 10.693 -4.664 1.00 0.00 N ATOM 1025 CA PHE A 67 1.112 9.701 -4.018 1.00 0.00 C ATOM 1026 C PHE A 67 2.136 10.373 -3.116 1.00 0.00 C ATOM 1027 O PHE A 67 2.266 10.029 -1.943 1.00 0.00 O ATOM 1028 CB PHE A 67 1.842 8.842 -5.054 1.00 0.00 C ATOM 1029 CG PHE A 67 2.241 7.499 -4.517 1.00 0.00 C ATOM 1030 CD1 PHE A 67 1.274 6.561 -4.215 1.00 0.00 C ATOM 1031 CD2 PHE A 67 3.575 7.175 -4.299 1.00 0.00 C ATOM 1032 CE1 PHE A 67 1.622 5.328 -3.710 1.00 0.00 C ATOM 1033 CE2 PHE A 67 3.924 5.938 -3.791 1.00 0.00 C ATOM 1034 CZ PHE A 67 2.940 5.015 -3.497 1.00 0.00 C ATOM 0 H PHE A 67 0.476 10.857 -5.648 1.00 0.00 H new ATOM 0 HA PHE A 67 0.466 9.061 -3.417 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.199 8.704 -5.923 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.732 9.371 -5.396 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.233 6.797 -4.377 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.345 7.896 -4.529 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.854 4.604 -3.481 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.963 5.694 -3.625 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.208 4.047 -3.100 1.00 0.00 H new ATOM 1044 N GLU A 68 2.864 11.333 -3.677 1.00 0.00 N ATOM 1045 CA GLU A 68 3.895 12.060 -2.939 1.00 0.00 C ATOM 1046 C GLU A 68 3.409 12.502 -1.559 1.00 0.00 C ATOM 1047 O GLU A 68 4.109 12.317 -0.569 1.00 0.00 O ATOM 1048 CB GLU A 68 4.358 13.274 -3.749 1.00 0.00 C ATOM 1049 CG GLU A 68 5.658 13.040 -4.504 1.00 0.00 C ATOM 1050 CD GLU A 68 6.841 13.731 -3.854 1.00 0.00 C ATOM 1051 OE1 GLU A 68 7.010 14.948 -4.071 1.00 0.00 O ATOM 1052 OE2 GLU A 68 7.601 13.053 -3.130 1.00 0.00 O ATOM 0 H GLU A 68 2.759 11.628 -4.648 1.00 0.00 H new ATOM 0 HA GLU A 68 4.733 11.380 -2.787 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.578 13.545 -4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.485 14.122 -3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.853 11.969 -4.561 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.549 13.399 -5.527 1.00 0.00 H new ATOM 1059 N GLN A 69 2.216 13.091 -1.502 1.00 0.00 N ATOM 1060 CA GLN A 69 1.648 13.564 -0.237 1.00 0.00 C ATOM 1061 C GLN A 69 1.520 12.426 0.776 1.00 0.00 C ATOM 1062 O GLN A 69 2.121 12.460 1.852 1.00 0.00 O ATOM 1063 CB GLN A 69 0.275 14.198 -0.482 1.00 0.00 C ATOM 1064 CG GLN A 69 0.320 15.432 -1.371 1.00 0.00 C ATOM 1065 CD GLN A 69 -0.779 16.424 -1.042 1.00 0.00 C ATOM 1066 OE1 GLN A 69 -0.535 17.625 -0.927 1.00 0.00 O ATOM 1067 NE2 GLN A 69 -2.001 15.924 -0.894 1.00 0.00 N ATOM 0 H GLN A 69 1.623 13.253 -2.316 1.00 0.00 H new ATOM 0 HA GLN A 69 2.326 14.311 0.176 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.381 13.457 -0.938 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.167 14.468 0.477 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.289 15.919 -1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.231 15.128 -2.414 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.158 14.922 -0.998 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.782 16.543 -0.676 1.00 0.00 H new ATOM 1076 N HIS A 70 0.717 11.428 0.429 1.00 0.00 N ATOM 1077 CA HIS A 70 0.497 10.290 1.315 1.00 0.00 C ATOM 1078 C HIS A 70 1.806 9.541 1.547 1.00 0.00 C ATOM 1079 O HIS A 70 2.156 9.219 2.682 1.00 0.00 O ATOM 1080 CB HIS A 70 -0.557 9.350 0.724 1.00 0.00 C ATOM 1081 CG HIS A 70 -1.922 9.552 1.297 1.00 0.00 C ATOM 1082 ND1 HIS A 70 -2.249 9.229 2.595 1.00 0.00 N ATOM 1083 CD2 HIS A 70 -3.051 10.048 0.739 1.00 0.00 C ATOM 1084 CE1 HIS A 70 -3.518 9.516 2.813 1.00 0.00 C ATOM 1085 NE2 HIS A 70 -4.029 10.013 1.701 1.00 0.00 N ATOM 0 H HIS A 70 0.209 11.382 -0.455 1.00 0.00 H new ATOM 0 HA HIS A 70 0.132 10.660 2.273 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.599 9.496 -0.355 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.249 8.318 0.894 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.162 10.405 -0.274 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.049 9.370 3.742 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.994 10.321 1.577 1.00 0.00 H new ATOM 1093 N TYR A 71 2.529 9.276 0.466 1.00 0.00 N ATOM 1094 CA TYR A 71 3.807 8.577 0.543 1.00 0.00 C ATOM 1095 C TYR A 71 4.894 9.475 1.150 1.00 0.00 C ATOM 1096 O TYR A 71 5.997 9.011 1.439 1.00 0.00 O ATOM 1097 CB TYR A 71 4.203 8.090 -0.860 1.00 0.00 C ATOM 1098 CG TYR A 71 5.690 7.911 -1.092 1.00 0.00 C ATOM 1099 CD1 TYR A 71 6.382 6.847 -0.530 1.00 0.00 C ATOM 1100 CD2 TYR A 71 6.398 8.804 -1.889 1.00 0.00 C ATOM 1101 CE1 TYR A 71 7.737 6.679 -0.752 1.00 0.00 C ATOM 1102 CE2 TYR A 71 7.752 8.640 -2.116 1.00 0.00 C ATOM 1103 CZ TYR A 71 8.416 7.578 -1.544 1.00 0.00 C ATOM 1104 OH TYR A 71 9.761 7.413 -1.771 1.00 0.00 O ATOM 0 H TYR A 71 2.250 9.536 -0.480 1.00 0.00 H new ATOM 0 HA TYR A 71 3.704 7.714 1.201 1.00 0.00 H new ATOM 0 HB2 TYR A 71 3.706 7.138 -1.049 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.821 8.800 -1.593 1.00 0.00 H new ATOM 0 HD1 TYR A 71 5.854 6.139 0.091 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.882 9.640 -2.338 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.260 5.846 -0.306 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.286 9.342 -2.739 1.00 0.00 H new ATOM 0 HH TYR A 71 10.107 6.705 -1.188 1.00 0.00 H new ATOM 1114 N LYS A 72 4.576 10.759 1.346 1.00 0.00 N ATOM 1115 CA LYS A 72 5.530 11.707 1.927 1.00 0.00 C ATOM 1116 C LYS A 72 5.833 11.345 3.375 1.00 0.00 C ATOM 1117 O LYS A 72 6.955 10.970 3.710 1.00 0.00 O ATOM 1118 CB LYS A 72 4.987 13.139 1.859 1.00 0.00 C ATOM 1119 CG LYS A 72 5.924 14.115 1.164 1.00 0.00 C ATOM 1120 CD LYS A 72 6.332 15.254 2.087 1.00 0.00 C ATOM 1121 CE LYS A 72 7.062 16.352 1.330 1.00 0.00 C ATOM 1122 NZ LYS A 72 8.397 15.900 0.848 1.00 0.00 N ATOM 0 H LYS A 72 3.669 11.163 1.112 1.00 0.00 H new ATOM 0 HA LYS A 72 6.450 11.651 1.345 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.031 13.131 1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.793 13.493 2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.814 13.586 0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.436 14.521 0.278 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.446 15.669 2.567 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.974 14.869 2.880 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.458 16.671 0.481 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.184 17.220 1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.863 16.677 0.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.983 15.620 1.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.279 15.088 0.210 1.00 0.00 H new ATOM 1136 N GLU A 73 4.822 11.457 4.237 1.00 0.00 N ATOM 1137 CA GLU A 73 4.990 11.136 5.652 1.00 0.00 C ATOM 1138 C GLU A 73 5.581 9.743 5.810 1.00 0.00 C ATOM 1139 O GLU A 73 6.498 9.529 6.604 1.00 0.00 O ATOM 1140 CB GLU A 73 3.651 11.212 6.386 1.00 0.00 C ATOM 1141 CG GLU A 73 3.049 12.607 6.424 1.00 0.00 C ATOM 1142 CD GLU A 73 1.571 12.610 6.085 1.00 0.00 C ATOM 1143 OE1 GLU A 73 1.161 11.819 5.209 1.00 0.00 O ATOM 1144 OE2 GLU A 73 0.824 13.401 6.696 1.00 0.00 O ATOM 0 H GLU A 73 3.884 11.766 3.981 1.00 0.00 H new ATOM 0 HA GLU A 73 5.671 11.867 6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.945 10.535 5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.787 10.857 7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.192 13.034 7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.581 13.248 5.721 1.00 0.00 H new ATOM 1151 N ALA A 74 5.055 8.803 5.036 1.00 0.00 N ATOM 1152 CA ALA A 74 5.532 7.432 5.075 1.00 0.00 C ATOM 1153 C ALA A 74 6.970 7.353 4.586 1.00 0.00 C ATOM 1154 O ALA A 74 7.730 6.478 5.002 1.00 0.00 O ATOM 1155 CB ALA A 74 4.646 6.538 4.228 1.00 0.00 C ATOM 0 H ALA A 74 4.297 8.968 4.374 1.00 0.00 H new ATOM 0 HA ALA A 74 5.494 7.087 6.108 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.018 5.514 4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.626 6.569 4.611 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.657 6.888 3.196 1.00 0.00 H new ATOM 1161 N SER A 75 7.342 8.276 3.700 1.00 0.00 N ATOM 1162 CA SER A 75 8.693 8.306 3.163 1.00 0.00 C ATOM 1163 C SER A 75 9.696 8.523 4.290 1.00 0.00 C ATOM 1164 O SER A 75 10.655 7.770 4.438 1.00 0.00 O ATOM 1165 CB SER A 75 8.836 9.408 2.105 1.00 0.00 C ATOM 1166 OG SER A 75 9.171 8.873 0.831 1.00 0.00 O ATOM 0 H SER A 75 6.727 9.007 3.343 1.00 0.00 H new ATOM 0 HA SER A 75 8.896 7.348 2.685 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.902 9.965 2.032 1.00 0.00 H new ATOM 0 HB3 SER A 75 9.605 10.114 2.417 1.00 0.00 H new ATOM 0 HG SER A 75 8.462 8.264 0.535 1.00 0.00 H new ATOM 1172 N ALA A 76 9.464 9.560 5.089 1.00 0.00 N ATOM 1173 CA ALA A 76 10.345 9.867 6.210 1.00 0.00 C ATOM 1174 C ALA A 76 10.655 8.595 6.995 1.00 0.00 C ATOM 1175 O ALA A 76 11.784 8.378 7.434 1.00 0.00 O ATOM 1176 CB ALA A 76 9.710 10.918 7.107 1.00 0.00 C ATOM 0 H ALA A 76 8.677 10.199 4.982 1.00 0.00 H new ATOM 0 HA ALA A 76 11.282 10.271 5.826 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.378 11.138 7.940 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.534 11.828 6.533 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.762 10.543 7.492 1.00 0.00 H new ATOM 1182 N ALA A 77 9.646 7.739 7.127 1.00 0.00 N ATOM 1183 CA ALA A 77 9.813 6.465 7.814 1.00 0.00 C ATOM 1184 C ALA A 77 10.535 5.489 6.892 1.00 0.00 C ATOM 1185 O ALA A 77 11.383 4.707 7.322 1.00 0.00 O ATOM 1186 CB ALA A 77 8.467 5.908 8.239 1.00 0.00 C ATOM 0 H ALA A 77 8.706 7.905 6.767 1.00 0.00 H new ATOM 0 HA ALA A 77 10.410 6.615 8.714 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.612 4.956 8.750 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.979 6.612 8.913 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.842 5.755 7.359 1.00 0.00 H new ATOM 1192 N TYR A 78 10.194 5.576 5.607 1.00 0.00 N ATOM 1193 CA TYR A 78 10.798 4.746 4.568 1.00 0.00 C ATOM 1194 C TYR A 78 12.305 4.651 4.778 1.00 0.00 C ATOM 1195 O TYR A 78 12.865 3.561 4.900 1.00 0.00 O ATOM 1196 CB TYR A 78 10.494 5.361 3.194 1.00 0.00 C ATOM 1197 CG TYR A 78 10.931 4.541 1.995 1.00 0.00 C ATOM 1198 CD1 TYR A 78 11.679 3.382 2.139 1.00 0.00 C ATOM 1199 CD2 TYR A 78 10.598 4.947 0.707 1.00 0.00 C ATOM 1200 CE1 TYR A 78 12.082 2.651 1.040 1.00 0.00 C ATOM 1201 CE2 TYR A 78 10.999 4.221 -0.399 1.00 0.00 C ATOM 1202 CZ TYR A 78 11.743 3.073 -0.227 1.00 0.00 C ATOM 1203 OH TYR A 78 12.151 2.342 -1.323 1.00 0.00 O ATOM 0 H TYR A 78 9.490 6.226 5.257 1.00 0.00 H new ATOM 0 HA TYR A 78 10.380 3.741 4.619 1.00 0.00 H new ATOM 0 HB2 TYR A 78 9.420 5.531 3.122 1.00 0.00 H new ATOM 0 HB3 TYR A 78 10.976 6.337 3.139 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.951 3.046 3.129 1.00 0.00 H new ATOM 0 HD2 TYR A 78 10.016 5.846 0.568 1.00 0.00 H new ATOM 0 HE1 TYR A 78 12.662 1.750 1.173 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.731 4.551 -1.392 1.00 0.00 H new ATOM 0 HH TYR A 78 11.829 2.773 -2.142 1.00 0.00 H new ATOM 1213 N GLU A 79 12.951 5.807 4.826 1.00 0.00 N ATOM 1214 CA GLU A 79 14.389 5.867 5.024 1.00 0.00 C ATOM 1215 C GLU A 79 14.790 5.225 6.348 1.00 0.00 C ATOM 1216 O GLU A 79 15.719 4.425 6.400 1.00 0.00 O ATOM 1217 CB GLU A 79 14.867 7.319 4.967 1.00 0.00 C ATOM 1218 CG GLU A 79 15.262 7.769 3.570 1.00 0.00 C ATOM 1219 CD GLU A 79 15.980 9.103 3.570 1.00 0.00 C ATOM 1220 OE1 GLU A 79 15.423 10.075 4.122 1.00 0.00 O ATOM 1221 OE2 GLU A 79 17.099 9.175 3.022 1.00 0.00 O ATOM 0 H GLU A 79 12.500 6.717 4.730 1.00 0.00 H new ATOM 0 HA GLU A 79 14.867 5.305 4.222 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.076 7.969 5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 79 15.720 7.440 5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.905 7.014 3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.369 7.841 2.949 1.00 0.00 H new ATOM 1228 N SER A 80 14.080 5.575 7.412 1.00 0.00 N ATOM 1229 CA SER A 80 14.368 5.028 8.729 1.00 0.00 C ATOM 1230 C SER A 80 14.271 3.504 8.720 1.00 0.00 C ATOM 1231 O SER A 80 15.079 2.815 9.342 1.00 0.00 O ATOM 1232 CB SER A 80 13.405 5.602 9.768 1.00 0.00 C ATOM 1233 OG SER A 80 13.706 6.960 10.046 1.00 0.00 O ATOM 0 H SER A 80 13.302 6.234 7.388 1.00 0.00 H new ATOM 0 HA SER A 80 15.387 5.310 8.994 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.381 5.520 9.404 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.465 5.017 10.686 1.00 0.00 H new ATOM 0 HG SER A 80 13.075 7.305 10.712 1.00 0.00 H new ATOM 1239 N PHE A 81 13.266 2.989 8.024 1.00 0.00 N ATOM 1240 CA PHE A 81 13.041 1.553 7.939 1.00 0.00 C ATOM 1241 C PHE A 81 14.079 0.840 7.073 1.00 0.00 C ATOM 1242 O PHE A 81 14.632 -0.183 7.473 1.00 0.00 O ATOM 1243 CB PHE A 81 11.640 1.278 7.409 1.00 0.00 C ATOM 1244 CG PHE A 81 10.591 1.313 8.479 1.00 0.00 C ATOM 1245 CD1 PHE A 81 10.507 0.297 9.418 1.00 0.00 C ATOM 1246 CD2 PHE A 81 9.685 2.359 8.544 1.00 0.00 C ATOM 1247 CE1 PHE A 81 9.540 0.324 10.404 1.00 0.00 C ATOM 1248 CE2 PHE A 81 8.714 2.391 9.527 1.00 0.00 C ATOM 1249 CZ PHE A 81 8.641 1.373 10.459 1.00 0.00 C ATOM 0 H PHE A 81 12.589 3.550 7.507 1.00 0.00 H new ATOM 0 HA PHE A 81 13.143 1.153 8.948 1.00 0.00 H new ATOM 0 HB2 PHE A 81 11.396 2.015 6.644 1.00 0.00 H new ATOM 0 HB3 PHE A 81 11.626 0.301 6.926 1.00 0.00 H new ATOM 0 HD1 PHE A 81 11.206 -0.525 9.378 1.00 0.00 H new ATOM 0 HD2 PHE A 81 9.738 3.158 7.819 1.00 0.00 H new ATOM 0 HE1 PHE A 81 9.486 -0.473 11.131 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.013 3.211 9.567 1.00 0.00 H new ATOM 0 HZ PHE A 81 7.883 1.397 11.228 1.00 0.00 H new ATOM 1259 N LYS A 82 14.330 1.360 5.877 1.00 0.00 N ATOM 1260 CA LYS A 82 15.294 0.731 4.981 1.00 0.00 C ATOM 1261 C LYS A 82 16.731 1.014 5.417 1.00 0.00 C ATOM 1262 O LYS A 82 17.663 0.339 4.978 1.00 0.00 O ATOM 1263 CB LYS A 82 15.069 1.180 3.535 1.00 0.00 C ATOM 1264 CG LYS A 82 15.080 2.688 3.334 1.00 0.00 C ATOM 1265 CD LYS A 82 16.140 3.098 2.313 1.00 0.00 C ATOM 1266 CE LYS A 82 16.308 4.607 2.236 1.00 0.00 C ATOM 1267 NZ LYS A 82 15.454 5.211 1.175 1.00 0.00 N ATOM 0 H LYS A 82 13.888 2.202 5.509 1.00 0.00 H new ATOM 0 HA LYS A 82 15.137 -0.346 5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.841 0.737 2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.112 0.787 3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.098 3.020 2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.275 3.184 4.285 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.093 2.641 2.578 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.864 2.714 1.331 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.056 5.049 3.200 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.353 4.846 2.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.057 5.668 0.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.886 4.467 0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.822 5.919 1.600 1.00 0.00 H new