USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 410 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 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.736 USER MOD Single : A 28 GLN : amide:sc= -8.77! C(o=-8.8!,f=-9.9!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -150:sc= -0.357 (180deg=-1.57) USER MOD Single : A 44 GLN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 CYS SG : rot -86:sc= 0.242 USER MOD Single : A 56 GLN : amide:sc= -4.24! C(o=-4.2!,f=-6!) USER MOD Single : A 58 THR OG1 : rot -132:sc= 1.25 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 288 N LYS A 23 -4.953 4.938 -8.797 1.00 0.00 N ATOM 289 CA LYS A 23 -3.971 5.897 -9.273 1.00 0.00 C ATOM 290 C LYS A 23 -2.661 5.703 -8.508 1.00 0.00 C ATOM 291 O LYS A 23 -2.288 6.539 -7.686 1.00 0.00 O ATOM 292 CB LYS A 23 -4.528 7.320 -9.188 1.00 0.00 C ATOM 293 CG LYS A 23 -4.383 8.047 -10.527 1.00 0.00 C ATOM 294 CD LYS A 23 -5.279 7.414 -11.593 1.00 0.00 C ATOM 295 CE LYS A 23 -6.754 7.710 -11.315 1.00 0.00 C ATOM 296 NZ LYS A 23 -7.590 7.308 -12.469 1.00 0.00 N ATOM 0 HA LYS A 23 -3.752 5.727 -10.327 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.579 7.286 -8.900 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.002 7.874 -8.410 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.644 9.098 -10.405 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.343 8.013 -10.853 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.007 7.797 -12.576 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.118 6.336 -11.615 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.076 7.175 -10.421 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.886 8.773 -11.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.588 7.516 -12.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.293 7.837 -13.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.477 6.289 -12.641 1.00 0.00 H new ATOM 310 N PHE A 24 -1.999 4.594 -8.804 1.00 0.00 N ATOM 311 CA PHE A 24 -0.738 4.279 -8.155 1.00 0.00 C ATOM 312 C PHE A 24 0.387 5.176 -8.676 1.00 0.00 C ATOM 313 O PHE A 24 0.734 5.121 -9.854 1.00 0.00 O ATOM 314 CB PHE A 24 -0.412 2.823 -8.494 1.00 0.00 C ATOM 315 CG PHE A 24 -1.619 1.885 -8.438 1.00 0.00 C ATOM 316 CD1 PHE A 24 -2.253 1.662 -7.255 1.00 0.00 C ATOM 317 CD2 PHE A 24 -2.060 1.275 -9.570 1.00 0.00 C ATOM 318 CE1 PHE A 24 -3.374 0.792 -7.203 1.00 0.00 C ATOM 319 CE2 PHE A 24 -3.180 0.405 -9.518 1.00 0.00 C ATOM 320 CZ PHE A 24 -3.814 0.182 -8.336 1.00 0.00 C ATOM 0 H PHE A 24 -2.313 3.902 -9.485 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.824 4.437 -7.080 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.021 2.782 -9.493 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.349 2.461 -7.802 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.904 2.147 -6.355 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.558 1.453 -10.509 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.877 0.615 -6.264 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.529 -0.080 -10.418 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.667 -0.479 -8.297 1.00 0.00 H new ATOM 330 N THR A 25 0.925 5.981 -7.772 1.00 0.00 N ATOM 331 CA THR A 25 2.003 6.889 -8.125 1.00 0.00 C ATOM 332 C THR A 25 3.355 6.182 -8.007 1.00 0.00 C ATOM 333 O THR A 25 3.438 5.079 -7.470 1.00 0.00 O ATOM 334 CB THR A 25 1.886 8.130 -7.238 1.00 0.00 C ATOM 335 OG1 THR A 25 3.199 8.685 -7.244 1.00 0.00 O ATOM 336 CG2 THR A 25 1.636 7.779 -5.770 1.00 0.00 C ATOM 0 H THR A 25 0.634 6.023 -6.795 1.00 0.00 H new ATOM 0 HA THR A 25 1.928 7.208 -9.165 1.00 0.00 H new ATOM 0 HB THR A 25 1.076 8.762 -7.603 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.214 9.496 -6.694 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.561 8.695 -5.184 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.707 7.216 -5.684 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.462 7.175 -5.395 1.00 0.00 H new ATOM 344 N ALA A 26 4.381 6.848 -8.516 1.00 0.00 N ATOM 345 CA ALA A 26 5.725 6.297 -8.475 1.00 0.00 C ATOM 346 C ALA A 26 5.940 5.589 -7.136 1.00 0.00 C ATOM 347 O ALA A 26 6.540 4.517 -7.086 1.00 0.00 O ATOM 348 CB ALA A 26 6.742 7.415 -8.713 1.00 0.00 C ATOM 0 H ALA A 26 4.309 7.764 -8.959 1.00 0.00 H new ATOM 0 HA ALA A 26 5.862 5.558 -9.265 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.750 7.002 -8.682 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.564 7.867 -9.689 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.637 8.174 -7.937 1.00 0.00 H new ATOM 354 N GLU A 27 5.439 6.218 -6.083 1.00 0.00 N ATOM 355 CA GLU A 27 5.568 5.661 -4.747 1.00 0.00 C ATOM 356 C GLU A 27 4.843 4.317 -4.659 1.00 0.00 C ATOM 357 O GLU A 27 5.479 3.272 -4.527 1.00 0.00 O ATOM 358 CB GLU A 27 5.042 6.637 -3.693 1.00 0.00 C ATOM 359 CG GLU A 27 5.990 6.714 -2.494 1.00 0.00 C ATOM 360 CD GLU A 27 5.446 7.662 -1.424 1.00 0.00 C ATOM 361 OE1 GLU A 27 5.532 8.887 -1.655 1.00 0.00 O ATOM 362 OE2 GLU A 27 4.957 7.140 -0.399 1.00 0.00 O ATOM 0 H GLU A 27 4.943 7.108 -6.128 1.00 0.00 H new ATOM 0 HA GLU A 27 6.626 5.495 -4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.927 7.627 -4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.054 6.320 -3.360 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.125 5.720 -2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.971 7.056 -2.823 1.00 0.00 H new ATOM 369 N GLN A 28 3.523 4.386 -4.738 1.00 0.00 N ATOM 370 CA GLN A 28 2.705 3.187 -4.669 1.00 0.00 C ATOM 371 C GLN A 28 3.223 2.134 -5.650 1.00 0.00 C ATOM 372 O GLN A 28 3.365 0.965 -5.293 1.00 0.00 O ATOM 373 CB GLN A 28 1.234 3.511 -4.939 1.00 0.00 C ATOM 374 CG GLN A 28 0.708 4.545 -3.942 1.00 0.00 C ATOM 375 CD GLN A 28 0.669 3.969 -2.525 1.00 0.00 C ATOM 376 OE1 GLN A 28 -0.365 3.564 -2.020 1.00 0.00 O ATOM 377 NE2 GLN A 28 1.850 3.956 -1.914 1.00 0.00 N ATOM 0 H GLN A 28 2.999 5.254 -4.849 1.00 0.00 H new ATOM 0 HA GLN A 28 2.775 2.781 -3.660 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.122 3.890 -5.955 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.639 2.600 -4.872 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.344 5.430 -3.961 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.292 4.864 -4.237 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.677 4.311 -2.395 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.929 3.591 -0.965 1.00 0.00 H new ATOM 386 N LYS A 29 3.493 2.586 -6.866 1.00 0.00 N ATOM 387 CA LYS A 29 3.993 1.696 -7.901 1.00 0.00 C ATOM 388 C LYS A 29 5.281 1.028 -7.414 1.00 0.00 C ATOM 389 O LYS A 29 5.330 -0.190 -7.254 1.00 0.00 O ATOM 390 CB LYS A 29 4.152 2.449 -9.223 1.00 0.00 C ATOM 391 CG LYS A 29 3.330 1.789 -10.332 1.00 0.00 C ATOM 392 CD LYS A 29 3.820 2.229 -11.713 1.00 0.00 C ATOM 393 CE LYS A 29 3.494 3.702 -11.967 1.00 0.00 C ATOM 394 NZ LYS A 29 3.025 3.896 -13.358 1.00 0.00 N ATOM 0 H LYS A 29 3.375 3.556 -7.158 1.00 0.00 H new ATOM 0 HA LYS A 29 3.276 0.899 -8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.834 3.484 -9.097 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.204 2.471 -9.509 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.400 0.705 -10.246 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.278 2.051 -10.215 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.896 2.073 -11.788 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.354 1.612 -12.482 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.727 4.037 -11.268 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.378 4.313 -11.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.808 4.901 -13.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.769 3.595 -14.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.169 3.328 -13.518 1.00 0.00 H new ATOM 408 N GLU A 30 6.292 1.856 -7.194 1.00 0.00 N ATOM 409 CA GLU A 30 7.576 1.361 -6.729 1.00 0.00 C ATOM 410 C GLU A 30 7.397 0.534 -5.454 1.00 0.00 C ATOM 411 O GLU A 30 8.021 -0.514 -5.296 1.00 0.00 O ATOM 412 CB GLU A 30 8.559 2.512 -6.503 1.00 0.00 C ATOM 413 CG GLU A 30 8.986 3.137 -7.832 1.00 0.00 C ATOM 414 CD GLU A 30 10.506 3.299 -7.899 1.00 0.00 C ATOM 415 OE1 GLU A 30 10.996 4.295 -7.323 1.00 0.00 O ATOM 416 OE2 GLU A 30 11.143 2.424 -8.524 1.00 0.00 O ATOM 0 H GLU A 30 6.248 2.866 -7.329 1.00 0.00 H new ATOM 0 HA GLU A 30 7.995 0.716 -7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.097 3.271 -5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.437 2.146 -5.970 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.647 2.511 -8.658 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.508 4.109 -7.951 1.00 0.00 H new ATOM 423 N ARG A 31 6.542 1.038 -4.576 1.00 0.00 N ATOM 424 CA ARG A 31 6.272 0.360 -3.320 1.00 0.00 C ATOM 425 C ARG A 31 5.851 -1.089 -3.578 1.00 0.00 C ATOM 426 O ARG A 31 6.397 -2.014 -2.979 1.00 0.00 O ATOM 427 CB ARG A 31 5.169 1.072 -2.535 1.00 0.00 C ATOM 428 CG ARG A 31 5.665 2.409 -1.982 1.00 0.00 C ATOM 429 CD ARG A 31 6.162 2.258 -0.543 1.00 0.00 C ATOM 430 NE ARG A 31 7.619 1.995 -0.537 1.00 0.00 N ATOM 431 CZ ARG A 31 8.551 2.922 -0.798 1.00 0.00 C ATOM 432 NH1 ARG A 31 8.184 4.178 -1.088 1.00 0.00 N ATOM 433 NH2 ARG A 31 9.849 2.593 -0.769 1.00 0.00 N ATOM 0 H ARG A 31 6.027 1.908 -4.710 1.00 0.00 H new ATOM 0 HA ARG A 31 7.189 0.376 -2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.308 1.239 -3.182 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.834 0.437 -1.715 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.470 2.790 -2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.859 3.142 -2.017 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.945 3.164 0.023 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.634 1.441 -0.051 1.00 0.00 H new ATOM 0 HE ARG A 31 7.933 1.049 -0.321 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.195 4.428 -1.110 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.893 4.884 -1.287 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.128 1.637 -0.548 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.558 3.298 -0.968 1.00 0.00 H new ATOM 447 N MET A 32 4.884 -1.240 -4.471 1.00 0.00 N ATOM 448 CA MET A 32 4.384 -2.560 -4.816 1.00 0.00 C ATOM 449 C MET A 32 5.450 -3.375 -5.552 1.00 0.00 C ATOM 450 O MET A 32 5.624 -4.563 -5.282 1.00 0.00 O ATOM 451 CB MET A 32 3.145 -2.421 -5.703 1.00 0.00 C ATOM 452 CG MET A 32 1.968 -1.845 -4.913 1.00 0.00 C ATOM 453 SD MET A 32 0.434 -2.209 -5.751 1.00 0.00 S ATOM 454 CE MET A 32 -0.313 -0.588 -5.747 1.00 0.00 C ATOM 0 H MET A 32 4.434 -0.470 -4.966 1.00 0.00 H new ATOM 0 HA MET A 32 4.126 -3.082 -3.895 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.371 -1.774 -6.550 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.873 -3.395 -6.110 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.952 -2.267 -3.908 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.085 -0.767 -4.804 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.398 -0.687 -5.719 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.023 -0.035 -4.870 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.021 -0.051 -6.649 1.00 0.00 H new ATOM 464 N LEU A 33 6.135 -2.705 -6.467 1.00 0.00 N ATOM 465 CA LEU A 33 7.178 -3.352 -7.243 1.00 0.00 C ATOM 466 C LEU A 33 8.226 -3.937 -6.294 1.00 0.00 C ATOM 467 O LEU A 33 8.657 -5.076 -6.464 1.00 0.00 O ATOM 468 CB LEU A 33 7.757 -2.384 -8.276 1.00 0.00 C ATOM 469 CG LEU A 33 7.238 -2.541 -9.707 1.00 0.00 C ATOM 470 CD1 LEU A 33 6.743 -1.203 -10.261 1.00 0.00 C ATOM 471 CD2 LEU A 33 8.299 -3.177 -10.608 1.00 0.00 C ATOM 0 H LEU A 33 5.988 -1.720 -6.688 1.00 0.00 H new ATOM 0 HA LEU A 33 6.766 -4.183 -7.815 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.551 -1.366 -7.946 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.840 -2.502 -8.289 1.00 0.00 H new ATOM 0 HG LEU A 33 6.384 -3.217 -9.688 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.380 -1.343 -11.279 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.934 -0.827 -9.635 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.563 -0.485 -10.264 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.905 -3.277 -11.619 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.187 -2.546 -10.626 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.562 -4.162 -10.222 1.00 0.00 H new ATOM 483 N ALA A 34 8.606 -3.130 -5.314 1.00 0.00 N ATOM 484 CA ALA A 34 9.595 -3.553 -4.337 1.00 0.00 C ATOM 485 C ALA A 34 9.020 -4.694 -3.497 1.00 0.00 C ATOM 486 O ALA A 34 9.754 -5.583 -3.065 1.00 0.00 O ATOM 487 CB ALA A 34 10.015 -2.354 -3.484 1.00 0.00 C ATOM 0 H ALA A 34 8.247 -2.185 -5.176 1.00 0.00 H new ATOM 0 HA ALA A 34 10.490 -3.929 -4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.757 -2.671 -2.751 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.444 -1.584 -4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.143 -1.952 -2.968 1.00 0.00 H new ATOM 493 N LEU A 35 7.713 -4.634 -3.289 1.00 0.00 N ATOM 494 CA LEU A 35 7.031 -5.652 -2.508 1.00 0.00 C ATOM 495 C LEU A 35 6.956 -6.946 -3.320 1.00 0.00 C ATOM 496 O LEU A 35 7.335 -8.011 -2.834 1.00 0.00 O ATOM 497 CB LEU A 35 5.668 -5.142 -2.036 1.00 0.00 C ATOM 498 CG LEU A 35 4.725 -6.193 -1.449 1.00 0.00 C ATOM 499 CD1 LEU A 35 5.321 -6.823 -0.189 1.00 0.00 C ATOM 500 CD2 LEU A 35 3.337 -5.603 -1.194 1.00 0.00 C ATOM 0 H LEU A 35 7.108 -3.896 -3.648 1.00 0.00 H new ATOM 0 HA LEU A 35 7.593 -5.876 -1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.832 -4.370 -1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.169 -4.665 -2.880 1.00 0.00 H new ATOM 0 HG LEU A 35 4.606 -6.991 -2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.630 -7.567 0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.268 -7.303 -0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.490 -6.049 0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.686 -6.371 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.418 -4.774 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.917 -5.242 -2.133 1.00 0.00 H new ATOM 512 N ALA A 36 6.465 -6.812 -4.543 1.00 0.00 N ATOM 513 CA ALA A 36 6.335 -7.958 -5.427 1.00 0.00 C ATOM 514 C ALA A 36 7.691 -8.656 -5.553 1.00 0.00 C ATOM 515 O ALA A 36 7.769 -9.882 -5.497 1.00 0.00 O ATOM 516 CB ALA A 36 5.787 -7.500 -6.780 1.00 0.00 C ATOM 0 H ALA A 36 6.152 -5.927 -4.943 1.00 0.00 H new ATOM 0 HA ALA A 36 5.629 -8.680 -5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.690 -8.360 -7.443 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.810 -7.038 -6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.471 -6.776 -7.223 1.00 0.00 H new ATOM 522 N GLU A 37 8.725 -7.845 -5.720 1.00 0.00 N ATOM 523 CA GLU A 37 10.073 -8.369 -5.854 1.00 0.00 C ATOM 524 C GLU A 37 10.587 -8.865 -4.502 1.00 0.00 C ATOM 525 O GLU A 37 11.651 -9.477 -4.424 1.00 0.00 O ATOM 526 CB GLU A 37 11.014 -7.317 -6.445 1.00 0.00 C ATOM 527 CG GLU A 37 10.800 -7.175 -7.954 1.00 0.00 C ATOM 528 CD GLU A 37 12.123 -6.898 -8.671 1.00 0.00 C ATOM 529 OE1 GLU A 37 12.582 -5.739 -8.588 1.00 0.00 O ATOM 530 OE2 GLU A 37 12.645 -7.853 -9.287 1.00 0.00 O ATOM 0 H GLU A 37 8.656 -6.828 -5.766 1.00 0.00 H new ATOM 0 HA GLU A 37 10.046 -9.214 -6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.843 -6.357 -5.958 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.049 -7.596 -6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.352 -8.087 -8.349 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.099 -6.364 -8.151 1.00 0.00 H new ATOM 537 N ARG A 38 9.806 -8.584 -3.469 1.00 0.00 N ATOM 538 CA ARG A 38 10.168 -8.994 -2.123 1.00 0.00 C ATOM 539 C ARG A 38 9.450 -10.293 -1.753 1.00 0.00 C ATOM 540 O ARG A 38 10.079 -11.247 -1.296 1.00 0.00 O ATOM 541 CB ARG A 38 9.810 -7.913 -1.102 1.00 0.00 C ATOM 542 CG ARG A 38 9.650 -8.511 0.297 1.00 0.00 C ATOM 543 CD ARG A 38 9.732 -7.424 1.371 1.00 0.00 C ATOM 544 NE ARG A 38 10.443 -7.941 2.561 1.00 0.00 N ATOM 545 CZ ARG A 38 11.754 -8.218 2.591 1.00 0.00 C ATOM 546 NH1 ARG A 38 12.504 -8.030 1.497 1.00 0.00 N ATOM 547 NH2 ARG A 38 12.315 -8.684 3.716 1.00 0.00 N ATOM 0 H ARG A 38 8.924 -8.077 -3.537 1.00 0.00 H new ATOM 0 HA ARG A 38 11.246 -9.152 -2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.588 -7.149 -1.088 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.884 -7.420 -1.399 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.692 -9.026 0.369 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.427 -9.256 0.469 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.252 -6.551 0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.729 -7.099 1.649 1.00 0.00 H new ATOM 0 HE ARG A 38 9.902 -8.096 3.412 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.077 -7.676 0.641 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.502 -8.241 1.520 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.744 -8.828 4.549 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.313 -8.895 3.739 1.00 0.00 H new ATOM 561 N ILE A 39 8.142 -10.290 -1.964 1.00 0.00 N ATOM 562 CA ILE A 39 7.331 -11.456 -1.658 1.00 0.00 C ATOM 563 C ILE A 39 7.387 -12.433 -2.834 1.00 0.00 C ATOM 564 O ILE A 39 7.326 -13.646 -2.641 1.00 0.00 O ATOM 565 CB ILE A 39 5.911 -11.036 -1.274 1.00 0.00 C ATOM 566 CG1 ILE A 39 5.194 -10.383 -2.457 1.00 0.00 C ATOM 567 CG2 ILE A 39 5.921 -10.131 -0.040 1.00 0.00 C ATOM 568 CD1 ILE A 39 3.744 -10.047 -2.102 1.00 0.00 C ATOM 0 H ILE A 39 7.623 -9.498 -2.343 1.00 0.00 H new ATOM 0 HA ILE A 39 7.729 -11.979 -0.789 1.00 0.00 H new ATOM 0 HB ILE A 39 5.349 -11.932 -1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.720 -9.474 -2.749 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.216 -11.054 -3.316 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.899 -9.847 0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.366 -10.665 0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.505 -9.235 -0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.257 -9.584 -2.960 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.214 -10.961 -1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.726 -9.357 -1.259 1.00 0.00 H new ATOM 580 N GLY A 40 7.501 -11.868 -4.027 1.00 0.00 N ATOM 581 CA GLY A 40 7.565 -12.673 -5.234 1.00 0.00 C ATOM 582 C GLY A 40 6.271 -12.556 -6.042 1.00 0.00 C ATOM 583 O GLY A 40 5.861 -13.506 -6.706 1.00 0.00 O ATOM 0 H GLY A 40 7.551 -10.861 -4.183 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.409 -12.352 -5.845 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.740 -13.716 -4.971 1.00 0.00 H new ATOM 587 N TRP A 41 5.663 -11.381 -5.957 1.00 0.00 N ATOM 588 CA TRP A 41 4.424 -11.127 -6.672 1.00 0.00 C ATOM 589 C TRP A 41 3.391 -12.156 -6.209 1.00 0.00 C ATOM 590 O TRP A 41 2.448 -12.464 -6.935 1.00 0.00 O ATOM 591 CB TRP A 41 4.650 -11.145 -8.185 1.00 0.00 C ATOM 592 CG TRP A 41 5.773 -10.221 -8.658 1.00 0.00 C ATOM 593 CD1 TRP A 41 7.090 -10.345 -8.443 1.00 0.00 C ATOM 594 CD2 TRP A 41 5.624 -9.017 -9.440 1.00 0.00 C ATOM 595 NE1 TRP A 41 7.797 -9.314 -9.027 1.00 0.00 N ATOM 596 CE2 TRP A 41 6.877 -8.481 -9.652 1.00 0.00 C ATOM 597 CE3 TRP A 41 4.468 -8.401 -9.951 1.00 0.00 C ATOM 598 CZ2 TRP A 41 7.095 -7.304 -10.379 1.00 0.00 C ATOM 599 CZ3 TRP A 41 4.702 -7.226 -10.675 1.00 0.00 C ATOM 600 CH2 TRP A 41 5.958 -6.673 -10.898 1.00 0.00 C ATOM 0 H TRP A 41 6.006 -10.595 -5.404 1.00 0.00 H new ATOM 0 HA TRP A 41 4.046 -10.130 -6.447 1.00 0.00 H new ATOM 0 HB2 TRP A 41 4.877 -12.165 -8.496 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.724 -10.859 -8.684 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.541 -11.151 -7.883 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.809 -9.187 -9.004 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.477 -8.803 -9.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.087 -6.905 -10.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.847 -6.713 -11.089 1.00 0.00 H new ATOM 0 HH2 TRP A 41 6.056 -5.761 -11.469 1.00 0.00 H new ATOM 611 N ARG A 42 3.605 -12.660 -5.002 1.00 0.00 N ATOM 612 CA ARG A 42 2.704 -13.648 -4.434 1.00 0.00 C ATOM 613 C ARG A 42 2.295 -13.240 -3.017 1.00 0.00 C ATOM 614 O ARG A 42 3.044 -12.554 -2.324 1.00 0.00 O ATOM 615 CB ARG A 42 3.360 -15.030 -4.390 1.00 0.00 C ATOM 616 CG ARG A 42 2.327 -16.135 -4.621 1.00 0.00 C ATOM 617 CD ARG A 42 2.834 -17.479 -4.094 1.00 0.00 C ATOM 618 NE ARG A 42 3.130 -18.387 -5.224 1.00 0.00 N ATOM 619 CZ ARG A 42 3.963 -19.433 -5.149 1.00 0.00 C ATOM 620 NH1 ARG A 42 4.588 -19.711 -3.996 1.00 0.00 N ATOM 621 NH2 ARG A 42 4.172 -20.203 -6.226 1.00 0.00 N ATOM 0 H ARG A 42 4.389 -12.403 -4.402 1.00 0.00 H new ATOM 0 HA ARG A 42 1.821 -13.697 -5.071 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.139 -15.091 -5.150 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.844 -15.176 -3.424 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.393 -15.874 -4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.109 -16.217 -5.686 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.731 -17.328 -3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.085 -17.929 -3.442 1.00 0.00 H new ATOM 0 HE ARG A 42 2.671 -18.205 -6.116 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.429 -19.126 -3.176 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.222 -20.508 -3.939 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.696 -19.992 -7.103 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.807 -20.999 -6.168 1.00 0.00 H new ATOM 635 N ILE A 43 1.107 -13.681 -2.629 1.00 0.00 N ATOM 636 CA ILE A 43 0.588 -13.370 -1.308 1.00 0.00 C ATOM 637 C ILE A 43 0.383 -14.670 -0.527 1.00 0.00 C ATOM 638 O ILE A 43 -0.061 -15.671 -1.087 1.00 0.00 O ATOM 639 CB ILE A 43 -0.673 -12.511 -1.415 1.00 0.00 C ATOM 640 CG1 ILE A 43 -0.380 -11.194 -2.137 1.00 0.00 C ATOM 641 CG2 ILE A 43 -1.300 -12.283 -0.039 1.00 0.00 C ATOM 642 CD1 ILE A 43 -1.481 -10.866 -3.147 1.00 0.00 C ATOM 0 H ILE A 43 0.489 -14.251 -3.207 1.00 0.00 H new ATOM 0 HA ILE A 43 1.306 -12.771 -0.748 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.404 -13.052 -2.016 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.297 -10.387 -1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.580 -11.262 -2.649 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.195 -11.669 -0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.568 -13.243 0.402 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.585 -11.774 0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.248 -9.925 -3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.545 -11.663 -3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.435 -10.775 -2.628 1.00 0.00 H new ATOM 654 N GLN A 44 0.715 -14.611 0.754 1.00 0.00 N ATOM 655 CA GLN A 44 0.573 -15.771 1.618 1.00 0.00 C ATOM 656 C GLN A 44 0.255 -15.332 3.049 1.00 0.00 C ATOM 657 O GLN A 44 0.329 -14.146 3.369 1.00 0.00 O ATOM 658 CB GLN A 44 1.830 -16.642 1.579 1.00 0.00 C ATOM 659 CG GLN A 44 1.715 -17.723 0.502 1.00 0.00 C ATOM 660 CD GLN A 44 1.714 -19.120 1.126 1.00 0.00 C ATOM 661 OE1 GLN A 44 0.853 -19.476 1.913 1.00 0.00 O ATOM 662 NE2 GLN A 44 2.726 -19.889 0.733 1.00 0.00 N ATOM 0 H GLN A 44 1.082 -13.778 1.215 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.258 -16.373 1.250 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.702 -16.019 1.382 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.984 -17.108 2.552 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.799 -17.576 -0.070 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.546 -17.634 -0.198 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.413 -19.529 0.071 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.815 -20.839 1.094 1.00 0.00 H new ATOM 671 N ARG A 45 -0.093 -16.311 3.871 1.00 0.00 N ATOM 672 CA ARG A 45 -0.422 -16.040 5.260 1.00 0.00 C ATOM 673 C ARG A 45 0.825 -15.588 6.023 1.00 0.00 C ATOM 674 O ARG A 45 0.729 -15.132 7.161 1.00 0.00 O ATOM 675 CB ARG A 45 -1.005 -17.281 5.940 1.00 0.00 C ATOM 676 CG ARG A 45 -0.142 -18.514 5.664 1.00 0.00 C ATOM 677 CD ARG A 45 0.059 -19.338 6.937 1.00 0.00 C ATOM 678 NE ARG A 45 -0.263 -20.759 6.677 1.00 0.00 N ATOM 679 CZ ARG A 45 -0.252 -21.716 7.614 1.00 0.00 C ATOM 680 NH1 ARG A 45 0.065 -21.410 8.880 1.00 0.00 N ATOM 681 NH2 ARG A 45 -0.558 -22.978 7.287 1.00 0.00 N ATOM 0 H ARG A 45 -0.154 -17.293 3.602 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.169 -15.246 5.275 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.072 -17.113 7.015 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.019 -17.455 5.580 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.615 -19.130 4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.826 -18.204 5.270 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.090 -19.247 7.280 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.577 -18.952 7.734 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.509 -21.026 5.724 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.298 -20.449 9.129 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.073 -22.138 9.594 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.800 -23.211 6.324 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.549 -23.706 8.001 1.00 0.00 H new ATOM 695 N GLN A 46 1.966 -15.729 5.365 1.00 0.00 N ATOM 696 CA GLN A 46 3.230 -15.341 5.967 1.00 0.00 C ATOM 697 C GLN A 46 3.512 -13.860 5.700 1.00 0.00 C ATOM 698 O GLN A 46 3.748 -13.092 6.632 1.00 0.00 O ATOM 699 CB GLN A 46 4.374 -16.218 5.454 1.00 0.00 C ATOM 700 CG GLN A 46 4.261 -17.641 6.003 1.00 0.00 C ATOM 701 CD GLN A 46 5.367 -17.926 7.021 1.00 0.00 C ATOM 702 OE1 GLN A 46 5.287 -17.560 8.182 1.00 0.00 O ATOM 703 NE2 GLN A 46 6.402 -18.597 6.523 1.00 0.00 N ATOM 0 H GLN A 46 2.042 -16.107 4.421 1.00 0.00 H new ATOM 0 HA GLN A 46 3.158 -15.489 7.044 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.358 -16.242 4.364 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.330 -15.785 5.749 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.286 -17.777 6.472 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.323 -18.357 5.183 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.406 -18.874 5.541 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.192 -18.835 7.123 1.00 0.00 H new ATOM 712 N ASP A 47 3.478 -13.505 4.424 1.00 0.00 N ATOM 713 CA ASP A 47 3.727 -12.131 4.024 1.00 0.00 C ATOM 714 C ASP A 47 2.585 -11.244 4.523 1.00 0.00 C ATOM 715 O ASP A 47 2.697 -10.019 4.515 1.00 0.00 O ATOM 716 CB ASP A 47 3.793 -12.004 2.500 1.00 0.00 C ATOM 717 CG ASP A 47 4.755 -12.975 1.812 1.00 0.00 C ATOM 718 OD1 ASP A 47 5.951 -12.621 1.724 1.00 0.00 O ATOM 719 OD2 ASP A 47 4.273 -14.048 1.389 1.00 0.00 O ATOM 0 H ASP A 47 3.282 -14.145 3.654 1.00 0.00 H new ATOM 0 HA ASP A 47 4.680 -11.823 4.453 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.793 -12.158 2.094 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.087 -10.985 2.248 1.00 0.00 H new ATOM 724 N ASP A 48 1.512 -11.896 4.945 1.00 0.00 N ATOM 725 CA ASP A 48 0.351 -11.182 5.447 1.00 0.00 C ATOM 726 C ASP A 48 0.813 -10.007 6.310 1.00 0.00 C ATOM 727 O ASP A 48 0.316 -8.891 6.164 1.00 0.00 O ATOM 728 CB ASP A 48 -0.522 -12.091 6.314 1.00 0.00 C ATOM 729 CG ASP A 48 -2.019 -12.040 6.001 1.00 0.00 C ATOM 730 OD1 ASP A 48 -2.344 -11.835 4.812 1.00 0.00 O ATOM 731 OD2 ASP A 48 -2.805 -12.209 6.959 1.00 0.00 O ATOM 0 H ASP A 48 1.422 -12.912 4.950 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.228 -10.836 4.591 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.177 -13.118 6.199 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.375 -11.821 7.360 1.00 0.00 H new ATOM 736 N GLU A 49 1.761 -10.297 7.190 1.00 0.00 N ATOM 737 CA GLU A 49 2.296 -9.278 8.076 1.00 0.00 C ATOM 738 C GLU A 49 2.833 -8.097 7.265 1.00 0.00 C ATOM 739 O GLU A 49 2.562 -6.942 7.590 1.00 0.00 O ATOM 740 CB GLU A 49 3.383 -9.858 8.984 1.00 0.00 C ATOM 741 CG GLU A 49 3.177 -9.417 10.435 1.00 0.00 C ATOM 742 CD GLU A 49 4.257 -8.421 10.864 1.00 0.00 C ATOM 743 OE1 GLU A 49 4.329 -7.351 10.222 1.00 0.00 O ATOM 744 OE2 GLU A 49 4.985 -8.752 11.824 1.00 0.00 O ATOM 0 H GLU A 49 2.172 -11.223 7.308 1.00 0.00 H new ATOM 0 HA GLU A 49 1.488 -8.918 8.713 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.369 -10.946 8.925 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.364 -9.533 8.637 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.193 -8.961 10.544 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.199 -10.288 11.090 1.00 0.00 H new ATOM 751 N VAL A 50 3.583 -8.428 6.224 1.00 0.00 N ATOM 752 CA VAL A 50 4.159 -7.409 5.363 1.00 0.00 C ATOM 753 C VAL A 50 3.053 -6.778 4.515 1.00 0.00 C ATOM 754 O VAL A 50 3.051 -5.569 4.291 1.00 0.00 O ATOM 755 CB VAL A 50 5.288 -8.010 4.523 1.00 0.00 C ATOM 756 CG1 VAL A 50 6.151 -6.913 3.899 1.00 0.00 C ATOM 757 CG2 VAL A 50 6.139 -8.971 5.356 1.00 0.00 C ATOM 0 H VAL A 50 3.805 -9.387 5.957 1.00 0.00 H new ATOM 0 HA VAL A 50 4.605 -6.613 5.960 1.00 0.00 H new ATOM 0 HB VAL A 50 4.835 -8.581 3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.946 -7.368 3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.533 -6.286 3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.590 -6.302 4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.934 -9.384 4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.577 -8.433 6.197 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.513 -9.781 5.730 1.00 0.00 H new ATOM 767 N ILE A 51 2.140 -7.626 4.066 1.00 0.00 N ATOM 768 CA ILE A 51 1.031 -7.167 3.247 1.00 0.00 C ATOM 769 C ILE A 51 0.182 -6.180 4.052 1.00 0.00 C ATOM 770 O ILE A 51 0.196 -4.980 3.781 1.00 0.00 O ATOM 771 CB ILE A 51 0.238 -8.357 2.702 1.00 0.00 C ATOM 772 CG1 ILE A 51 1.156 -9.337 1.968 1.00 0.00 C ATOM 773 CG2 ILE A 51 -0.921 -7.887 1.821 1.00 0.00 C ATOM 774 CD1 ILE A 51 1.291 -8.959 0.492 1.00 0.00 C ATOM 0 H ILE A 51 2.145 -8.629 4.254 1.00 0.00 H new ATOM 0 HA ILE A 51 1.400 -6.632 2.372 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.197 -8.893 3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.140 -9.341 2.438 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.758 -10.348 2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.468 -8.753 1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.592 -7.259 2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.530 -7.314 0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.948 -9.671 -0.007 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.309 -8.979 0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.712 -7.957 0.410 1.00 0.00 H new ATOM 786 N GLN A 52 -0.535 -6.722 5.025 1.00 0.00 N ATOM 787 CA GLN A 52 -1.387 -5.904 5.871 1.00 0.00 C ATOM 788 C GLN A 52 -0.619 -4.679 6.372 1.00 0.00 C ATOM 789 O GLN A 52 -1.212 -3.631 6.626 1.00 0.00 O ATOM 790 CB GLN A 52 -1.943 -6.719 7.041 1.00 0.00 C ATOM 791 CG GLN A 52 -2.778 -7.898 6.539 1.00 0.00 C ATOM 792 CD GLN A 52 -4.095 -8.006 7.312 1.00 0.00 C ATOM 793 OE1 GLN A 52 -5.173 -7.784 6.786 1.00 0.00 O ATOM 794 NE2 GLN A 52 -3.947 -8.357 8.586 1.00 0.00 N ATOM 0 H GLN A 52 -0.544 -7.718 5.246 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.233 -5.560 5.276 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.121 -7.086 7.656 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.556 -6.079 7.676 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.985 -7.775 5.476 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.211 -8.823 6.648 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.015 -8.528 8.963 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.766 -8.455 9.186 1.00 0.00 H new ATOM 803 N ARG A 53 0.688 -4.851 6.499 1.00 0.00 N ATOM 804 CA ARG A 53 1.543 -3.772 6.965 1.00 0.00 C ATOM 805 C ARG A 53 1.766 -2.752 5.847 1.00 0.00 C ATOM 806 O ARG A 53 1.531 -1.559 6.035 1.00 0.00 O ATOM 807 CB ARG A 53 2.897 -4.307 7.436 1.00 0.00 C ATOM 808 CG ARG A 53 3.904 -3.169 7.613 1.00 0.00 C ATOM 809 CD ARG A 53 3.457 -2.208 8.717 1.00 0.00 C ATOM 810 NE ARG A 53 4.398 -1.070 8.810 1.00 0.00 N ATOM 811 CZ ARG A 53 5.536 -1.092 9.518 1.00 0.00 C ATOM 812 NH1 ARG A 53 5.880 -2.194 10.199 1.00 0.00 N ATOM 813 NH2 ARG A 53 6.329 -0.013 9.545 1.00 0.00 N ATOM 0 H ARG A 53 1.176 -5.721 6.287 1.00 0.00 H new ATOM 0 HA ARG A 53 1.043 -3.291 7.806 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.774 -4.839 8.380 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.280 -5.027 6.712 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.883 -3.580 7.858 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.012 -2.625 6.675 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.452 -1.843 8.507 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.413 -2.733 9.671 1.00 0.00 H new ATOM 0 HE ARG A 53 4.166 -0.215 8.304 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.276 -3.016 10.178 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.746 -2.211 10.738 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.067 0.826 9.027 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.195 -0.030 10.084 1.00 0.00 H new ATOM 827 N PHE A 54 2.218 -3.257 4.709 1.00 0.00 N ATOM 828 CA PHE A 54 2.476 -2.404 3.561 1.00 0.00 C ATOM 829 C PHE A 54 1.220 -1.627 3.163 1.00 0.00 C ATOM 830 O PHE A 54 1.310 -0.575 2.531 1.00 0.00 O ATOM 831 CB PHE A 54 2.882 -3.320 2.405 1.00 0.00 C ATOM 832 CG PHE A 54 2.774 -2.667 1.026 1.00 0.00 C ATOM 833 CD1 PHE A 54 1.552 -2.382 0.502 1.00 0.00 C ATOM 834 CD2 PHE A 54 3.900 -2.371 0.323 1.00 0.00 C ATOM 835 CE1 PHE A 54 1.452 -1.776 -0.778 1.00 0.00 C ATOM 836 CE2 PHE A 54 3.800 -1.765 -0.957 1.00 0.00 C ATOM 837 CZ PHE A 54 2.578 -1.480 -1.481 1.00 0.00 C ATOM 0 H PHE A 54 2.412 -4.247 4.557 1.00 0.00 H new ATOM 0 HA PHE A 54 3.257 -1.682 3.802 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.909 -3.650 2.560 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.255 -4.211 2.424 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.657 -2.617 1.060 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.871 -2.597 0.739 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.481 -1.550 -1.194 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.695 -1.530 -1.515 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.502 -1.019 -2.455 1.00 0.00 H new ATOM 847 N CYS A 55 0.076 -2.174 3.549 1.00 0.00 N ATOM 848 CA CYS A 55 -1.197 -1.545 3.240 1.00 0.00 C ATOM 849 C CYS A 55 -1.397 -0.370 4.199 1.00 0.00 C ATOM 850 O CYS A 55 -2.317 0.428 4.026 1.00 0.00 O ATOM 851 CB CYS A 55 -2.353 -2.544 3.311 1.00 0.00 C ATOM 852 SG CYS A 55 -2.285 -3.684 1.882 1.00 0.00 S ATOM 0 H CYS A 55 0.004 -3.046 4.073 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.185 -1.177 2.214 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.298 -3.110 4.241 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -3.304 -2.012 3.317 1.00 0.00 H new ATOM 0 HG CYS A 55 -2.907 -3.151 0.872 1.00 0.00 H new ATOM 858 N GLN A 56 -0.521 -0.301 5.191 1.00 0.00 N ATOM 859 CA GLN A 56 -0.590 0.763 6.178 1.00 0.00 C ATOM 860 C GLN A 56 0.364 1.899 5.802 1.00 0.00 C ATOM 861 O GLN A 56 0.209 3.026 6.270 1.00 0.00 O ATOM 862 CB GLN A 56 -0.284 0.232 7.579 1.00 0.00 C ATOM 863 CG GLN A 56 1.166 0.523 7.972 1.00 0.00 C ATOM 864 CD GLN A 56 1.331 1.978 8.417 1.00 0.00 C ATOM 865 OE1 GLN A 56 0.392 2.639 8.829 1.00 0.00 O ATOM 866 NE2 GLN A 56 2.575 2.438 8.310 1.00 0.00 N ATOM 0 H GLN A 56 0.240 -0.965 5.332 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.606 1.157 6.188 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.959 0.691 8.301 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.465 -0.842 7.612 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.469 -0.145 8.779 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.824 0.321 7.127 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.315 1.831 7.957 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.789 3.398 8.581 1.00 0.00 H new ATOM 875 N GLU A 57 1.331 1.563 4.960 1.00 0.00 N ATOM 876 CA GLU A 57 2.310 2.540 4.516 1.00 0.00 C ATOM 877 C GLU A 57 1.894 3.134 3.169 1.00 0.00 C ATOM 878 O GLU A 57 2.226 4.278 2.862 1.00 0.00 O ATOM 879 CB GLU A 57 3.706 1.919 4.435 1.00 0.00 C ATOM 880 CG GLU A 57 3.873 1.113 3.146 1.00 0.00 C ATOM 881 CD GLU A 57 5.330 0.686 2.950 1.00 0.00 C ATOM 882 OE1 GLU A 57 6.165 1.594 2.753 1.00 0.00 O ATOM 883 OE2 GLU A 57 5.574 -0.539 3.003 1.00 0.00 O ATOM 0 H GLU A 57 1.457 0.627 4.574 1.00 0.00 H new ATOM 0 HA GLU A 57 2.349 3.346 5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.460 2.705 4.477 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.871 1.272 5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.233 0.231 3.179 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.548 1.711 2.295 1.00 0.00 H new ATOM 890 N THR A 58 1.175 2.329 2.401 1.00 0.00 N ATOM 891 CA THR A 58 0.710 2.760 1.093 1.00 0.00 C ATOM 892 C THR A 58 -0.789 3.063 1.133 1.00 0.00 C ATOM 893 O THR A 58 -1.281 3.886 0.362 1.00 0.00 O ATOM 894 CB THR A 58 1.085 1.679 0.078 1.00 0.00 C ATOM 895 OG1 THR A 58 0.375 0.526 0.520 1.00 0.00 O ATOM 896 CG2 THR A 58 2.557 1.271 0.174 1.00 0.00 C ATOM 0 H THR A 58 0.903 1.380 2.659 1.00 0.00 H new ATOM 0 HA THR A 58 1.189 3.691 0.790 1.00 0.00 H new ATOM 0 HB THR A 58 0.873 2.038 -0.929 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.981 -0.243 0.541 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.770 0.501 -0.568 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.188 2.140 -0.013 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.762 0.881 1.171 1.00 0.00 H new ATOM 904 N GLY A 59 -1.474 2.380 2.039 1.00 0.00 N ATOM 905 CA GLY A 59 -2.907 2.566 2.189 1.00 0.00 C ATOM 906 C GLY A 59 -3.675 1.799 1.110 1.00 0.00 C ATOM 907 O GLY A 59 -4.901 1.879 1.041 1.00 0.00 O ATOM 0 H GLY A 59 -1.063 1.697 2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.220 2.225 3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.148 3.627 2.127 1.00 0.00 H new ATOM 911 N VAL A 60 -2.923 1.075 0.295 1.00 0.00 N ATOM 912 CA VAL A 60 -3.517 0.295 -0.777 1.00 0.00 C ATOM 913 C VAL A 60 -4.200 -0.939 -0.186 1.00 0.00 C ATOM 914 O VAL A 60 -3.693 -1.541 0.759 1.00 0.00 O ATOM 915 CB VAL A 60 -2.455 -0.052 -1.822 1.00 0.00 C ATOM 916 CG1 VAL A 60 -3.042 -0.932 -2.928 1.00 0.00 C ATOM 917 CG2 VAL A 60 -1.825 1.214 -2.405 1.00 0.00 C ATOM 0 H VAL A 60 -1.907 1.012 0.355 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.283 0.875 -1.292 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.668 -0.619 -1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.267 -1.164 -3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.421 -1.857 -2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.857 -0.402 -3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.074 0.939 -3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.597 1.819 -2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.355 1.787 -1.606 1.00 0.00 H new ATOM 927 N PRO A 61 -5.371 -1.290 -0.782 1.00 0.00 N ATOM 928 CA PRO A 61 -6.129 -2.442 -0.325 1.00 0.00 C ATOM 929 C PRO A 61 -5.469 -3.746 -0.776 1.00 0.00 C ATOM 930 O PRO A 61 -4.927 -3.824 -1.877 1.00 0.00 O ATOM 931 CB PRO A 61 -7.522 -2.251 -0.902 1.00 0.00 C ATOM 932 CG PRO A 61 -7.370 -1.250 -2.036 1.00 0.00 C ATOM 933 CD PRO A 61 -6.002 -0.601 -1.904 1.00 0.00 C ATOM 0 HA PRO A 61 -6.169 -2.515 0.762 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.927 -3.195 -1.266 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.211 -1.880 -0.144 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.465 -1.749 -3.001 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.156 -0.497 -1.988 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.419 -0.716 -2.818 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.088 0.469 -1.714 1.00 0.00 H new ATOM 941 N ARG A 62 -5.537 -4.740 0.099 1.00 0.00 N ATOM 942 CA ARG A 62 -4.953 -6.037 -0.196 1.00 0.00 C ATOM 943 C ARG A 62 -5.423 -6.532 -1.565 1.00 0.00 C ATOM 944 O ARG A 62 -4.607 -6.802 -2.445 1.00 0.00 O ATOM 945 CB ARG A 62 -5.334 -7.067 0.870 1.00 0.00 C ATOM 946 CG ARG A 62 -4.745 -8.440 0.540 1.00 0.00 C ATOM 947 CD ARG A 62 -4.670 -9.319 1.791 1.00 0.00 C ATOM 948 NE ARG A 62 -5.754 -10.326 1.767 1.00 0.00 N ATOM 949 CZ ARG A 62 -6.999 -10.101 2.207 1.00 0.00 C ATOM 950 NH1 ARG A 62 -7.326 -8.902 2.708 1.00 0.00 N ATOM 951 NH2 ARG A 62 -7.918 -11.074 2.147 1.00 0.00 N ATOM 0 H ARG A 62 -5.988 -4.673 1.012 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.869 -5.920 -0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.974 -6.737 1.845 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.419 -7.140 0.939 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.357 -8.930 -0.217 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.748 -8.320 0.115 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.701 -9.816 1.839 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.756 -8.702 2.685 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.540 -11.250 1.392 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.627 -8.161 2.754 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.274 -8.731 3.043 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.670 -11.987 1.766 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.866 -10.902 2.482 1.00 0.00 H new ATOM 965 N GLN A 63 -6.737 -6.637 -1.702 1.00 0.00 N ATOM 966 CA GLN A 63 -7.325 -7.096 -2.949 1.00 0.00 C ATOM 967 C GLN A 63 -6.659 -6.399 -4.138 1.00 0.00 C ATOM 968 O GLN A 63 -6.505 -6.992 -5.204 1.00 0.00 O ATOM 969 CB GLN A 63 -8.838 -6.869 -2.958 1.00 0.00 C ATOM 970 CG GLN A 63 -9.550 -7.956 -3.766 1.00 0.00 C ATOM 971 CD GLN A 63 -11.017 -7.590 -4.002 1.00 0.00 C ATOM 972 OE1 GLN A 63 -11.527 -6.605 -3.496 1.00 0.00 O ATOM 973 NE2 GLN A 63 -11.664 -8.436 -4.799 1.00 0.00 N ATOM 0 H GLN A 63 -7.411 -6.412 -0.970 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.151 -8.168 -3.037 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.215 -6.865 -1.935 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.060 -5.890 -3.383 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.047 -8.091 -4.723 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.489 -8.907 -3.236 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -11.177 -9.242 -5.190 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.647 -8.278 -5.019 1.00 0.00 H new ATOM 982 N VAL A 64 -6.282 -5.148 -3.914 1.00 0.00 N ATOM 983 CA VAL A 64 -5.636 -4.364 -4.953 1.00 0.00 C ATOM 984 C VAL A 64 -4.177 -4.803 -5.084 1.00 0.00 C ATOM 985 O VAL A 64 -3.712 -5.106 -6.182 1.00 0.00 O ATOM 986 CB VAL A 64 -5.787 -2.871 -4.652 1.00 0.00 C ATOM 987 CG1 VAL A 64 -4.615 -2.075 -5.228 1.00 0.00 C ATOM 988 CG2 VAL A 64 -7.122 -2.339 -5.176 1.00 0.00 C ATOM 0 H VAL A 64 -6.412 -4.659 -3.029 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.115 -4.538 -5.916 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.778 -2.744 -3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.747 -1.017 -5.000 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.683 -2.428 -4.786 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.579 -2.212 -6.309 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.204 -1.276 -4.949 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.174 -2.485 -6.255 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.941 -2.876 -4.698 1.00 0.00 H new ATOM 998 N LEU A 65 -3.494 -4.823 -3.949 1.00 0.00 N ATOM 999 CA LEU A 65 -2.096 -5.219 -3.924 1.00 0.00 C ATOM 1000 C LEU A 65 -1.950 -6.600 -4.567 1.00 0.00 C ATOM 1001 O LEU A 65 -0.869 -6.963 -5.027 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.544 -5.144 -2.499 1.00 0.00 C ATOM 1003 CG LEU A 65 -0.024 -5.264 -2.361 1.00 0.00 C ATOM 1004 CD1 LEU A 65 0.459 -6.645 -2.809 1.00 0.00 C ATOM 1005 CD2 LEU A 65 0.685 -4.137 -3.113 1.00 0.00 C ATOM 0 H LEU A 65 -3.882 -4.571 -3.040 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.493 -4.527 -4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.855 -4.196 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.006 -5.936 -1.909 1.00 0.00 H new ATOM 0 HG LEU A 65 0.233 -5.159 -1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.542 -6.704 -2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.010 -7.412 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.189 -6.804 -3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.764 -4.246 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.425 -4.186 -4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.372 -3.175 -2.706 1.00 0.00 H new ATOM 1017 N LYS A 66 -3.055 -7.331 -4.579 1.00 0.00 N ATOM 1018 CA LYS A 66 -3.063 -8.664 -5.159 1.00 0.00 C ATOM 1019 C LYS A 66 -3.218 -8.554 -6.677 1.00 0.00 C ATOM 1020 O LYS A 66 -2.274 -8.814 -7.421 1.00 0.00 O ATOM 1021 CB LYS A 66 -4.134 -9.531 -4.493 1.00 0.00 C ATOM 1022 CG LYS A 66 -4.486 -10.736 -5.367 1.00 0.00 C ATOM 1023 CD LYS A 66 -5.460 -11.670 -4.647 1.00 0.00 C ATOM 1024 CE LYS A 66 -4.708 -12.763 -3.883 1.00 0.00 C ATOM 1025 NZ LYS A 66 -5.445 -14.044 -3.951 1.00 0.00 N ATOM 0 H LYS A 66 -3.950 -7.026 -4.197 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.115 -9.167 -4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.777 -9.874 -3.522 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.028 -8.935 -4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.929 -10.394 -6.302 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.578 -11.281 -5.625 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.076 -11.096 -3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.135 -12.126 -5.371 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.710 -12.888 -4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.580 -12.465 -2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.921 -14.774 -3.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.388 -13.925 -3.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.545 -14.335 -4.945 1.00 0.00 H new ATOM 1039 N VAL A 67 -4.416 -8.168 -7.091 1.00 0.00 N ATOM 1040 CA VAL A 67 -4.706 -8.020 -8.507 1.00 0.00 C ATOM 1041 C VAL A 67 -3.604 -7.187 -9.165 1.00 0.00 C ATOM 1042 O VAL A 67 -3.084 -7.558 -10.216 1.00 0.00 O ATOM 1043 CB VAL A 67 -6.102 -7.422 -8.696 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -7.181 -8.370 -8.168 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -6.204 -6.049 -8.028 1.00 0.00 C ATOM 0 H VAL A 67 -5.197 -7.953 -6.471 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.715 -8.993 -8.999 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.268 -7.289 -9.765 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.163 -7.921 -8.315 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.130 -9.316 -8.708 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.019 -8.550 -7.105 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.206 -5.646 -8.177 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.008 -6.148 -6.960 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.471 -5.374 -8.470 1.00 0.00 H new ATOM 1055 N TRP A 68 -3.281 -6.076 -8.519 1.00 0.00 N ATOM 1056 CA TRP A 68 -2.251 -5.187 -9.029 1.00 0.00 C ATOM 1057 C TRP A 68 -1.139 -6.049 -9.632 1.00 0.00 C ATOM 1058 O TRP A 68 -0.878 -5.980 -10.832 1.00 0.00 O ATOM 1059 CB TRP A 68 -1.749 -4.245 -7.933 1.00 0.00 C ATOM 1060 CG TRP A 68 -0.662 -3.274 -8.397 1.00 0.00 C ATOM 1061 CD1 TRP A 68 -0.814 -2.027 -8.865 1.00 0.00 C ATOM 1062 CD2 TRP A 68 0.760 -3.521 -8.420 1.00 0.00 C ATOM 1063 NE1 TRP A 68 0.400 -1.455 -9.186 1.00 0.00 N ATOM 1064 CE2 TRP A 68 1.388 -2.392 -8.906 1.00 0.00 C ATOM 1065 CE3 TRP A 68 1.491 -4.660 -8.041 1.00 0.00 C ATOM 1066 CZ2 TRP A 68 2.776 -2.293 -9.059 1.00 0.00 C ATOM 1067 CZ3 TRP A 68 2.878 -4.545 -8.200 1.00 0.00 C ATOM 1068 CH2 TRP A 68 3.525 -3.416 -8.689 1.00 0.00 C ATOM 0 H TRP A 68 -3.714 -5.771 -7.647 1.00 0.00 H new ATOM 0 HA TRP A 68 -2.651 -4.539 -9.809 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.592 -3.673 -7.546 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.361 -4.840 -7.106 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -1.767 -1.532 -8.977 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.546 -0.517 -9.560 1.00 0.00 H new ATOM 0 HE3 TRP A 68 1.021 -5.553 -7.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 3.244 -1.398 -9.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.487 -5.393 -7.923 1.00 0.00 H new ATOM 0 HH2 TRP A 68 4.601 -3.405 -8.783 1.00 0.00 H new ATOM 1079 N LEU A 69 -0.515 -6.840 -8.772 1.00 0.00 N ATOM 1080 CA LEU A 69 0.562 -7.713 -9.205 1.00 0.00 C ATOM 1081 C LEU A 69 0.179 -8.369 -10.534 1.00 0.00 C ATOM 1082 O LEU A 69 0.956 -8.351 -11.486 1.00 0.00 O ATOM 1083 CB LEU A 69 0.915 -8.715 -8.104 1.00 0.00 C ATOM 1084 CG LEU A 69 1.266 -8.117 -6.740 1.00 0.00 C ATOM 1085 CD1 LEU A 69 0.898 -9.079 -5.609 1.00 0.00 C ATOM 1086 CD2 LEU A 69 2.738 -7.704 -6.685 1.00 0.00 C ATOM 0 H LEU A 69 -0.735 -6.895 -7.777 1.00 0.00 H new ATOM 0 HA LEU A 69 1.470 -7.137 -9.383 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.072 -9.394 -7.975 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.759 -9.315 -8.443 1.00 0.00 H new ATOM 0 HG LEU A 69 0.673 -7.213 -6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.158 -8.630 -4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.173 -9.281 -5.637 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.447 -10.013 -5.733 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.961 -7.282 -5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.368 -8.577 -6.856 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.936 -6.958 -7.455 1.00 0.00 H new