USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=3 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 83:sc= -0.546! USER MOD Single : A 28 GLN : amide:sc= -4.98 X(o=-5,f=-4.5!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 180:sc= -6.35! (180deg=-6.35!) USER MOD Single : A 44 GLN : amide:sc= -0.0322 X(o=-0.032,f=-0.17) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.0105 X(o=-0.011,f=0) USER MOD Single : A 55 CYS SG : rot 93:sc= -0.0897 USER MOD Single : A 56 GLN : amide:sc= -0.215 K(o=-0.22,f=-1.3!) USER MOD Single : A 58 THR OG1 : rot -140:sc= 0.281! USER MOD Single : A 63 GLN : amide:sc= -0.0256 X(o=-0.026,f=-0.16) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 288 N LYS A 23 -5.241 4.819 -8.390 1.00 0.00 N ATOM 289 CA LYS A 23 -4.257 5.596 -9.124 1.00 0.00 C ATOM 290 C LYS A 23 -2.895 5.464 -8.438 1.00 0.00 C ATOM 291 O LYS A 23 -2.450 6.384 -7.754 1.00 0.00 O ATOM 292 CB LYS A 23 -4.727 7.043 -9.285 1.00 0.00 C ATOM 293 CG LYS A 23 -4.576 7.511 -10.734 1.00 0.00 C ATOM 294 CD LYS A 23 -5.559 6.782 -11.651 1.00 0.00 C ATOM 295 CE LYS A 23 -6.945 7.429 -11.595 1.00 0.00 C ATOM 296 NZ LYS A 23 -7.101 8.415 -12.687 1.00 0.00 N ATOM 0 HA LYS A 23 -4.144 5.208 -10.136 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.770 7.126 -8.979 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.149 7.692 -8.627 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.747 8.586 -10.792 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.556 7.332 -11.073 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.187 6.799 -12.675 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.630 5.735 -11.355 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.715 6.662 -11.677 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.085 7.919 -10.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.047 8.845 -12.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.378 9.157 -12.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.988 7.938 -13.604 1.00 0.00 H new ATOM 310 N PHE A 24 -2.272 4.314 -8.646 1.00 0.00 N ATOM 311 CA PHE A 24 -0.971 4.050 -8.057 1.00 0.00 C ATOM 312 C PHE A 24 0.121 4.869 -8.749 1.00 0.00 C ATOM 313 O PHE A 24 0.383 4.683 -9.936 1.00 0.00 O ATOM 314 CB PHE A 24 -0.681 2.562 -8.259 1.00 0.00 C ATOM 315 CG PHE A 24 -1.896 1.656 -8.046 1.00 0.00 C ATOM 316 CD1 PHE A 24 -2.467 1.564 -6.815 1.00 0.00 C ATOM 317 CD2 PHE A 24 -2.404 0.944 -9.087 1.00 0.00 C ATOM 318 CE1 PHE A 24 -3.595 0.724 -6.617 1.00 0.00 C ATOM 319 CE2 PHE A 24 -3.532 0.104 -8.889 1.00 0.00 C ATOM 320 CZ PHE A 24 -4.103 0.012 -7.658 1.00 0.00 C ATOM 0 H PHE A 24 -2.645 3.554 -9.215 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.979 4.323 -7.002 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.300 2.410 -9.269 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.109 2.260 -7.572 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.063 2.129 -5.988 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.950 1.017 -10.064 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.049 0.651 -5.640 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.936 -0.461 -9.716 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.961 -0.627 -7.507 1.00 0.00 H new ATOM 330 N THR A 25 0.728 5.758 -7.977 1.00 0.00 N ATOM 331 CA THR A 25 1.785 6.606 -8.501 1.00 0.00 C ATOM 332 C THR A 25 3.149 5.940 -8.306 1.00 0.00 C ATOM 333 O THR A 25 3.249 4.899 -7.658 1.00 0.00 O ATOM 334 CB THR A 25 1.675 7.973 -7.823 1.00 0.00 C ATOM 335 OG1 THR A 25 2.944 8.578 -8.052 1.00 0.00 O ATOM 336 CG2 THR A 25 1.582 7.866 -6.300 1.00 0.00 C ATOM 0 H THR A 25 0.508 5.910 -6.993 1.00 0.00 H new ATOM 0 HA THR A 25 1.679 6.751 -9.576 1.00 0.00 H new ATOM 0 HB THR A 25 0.798 8.497 -8.204 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.956 8.986 -8.943 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.506 8.864 -5.869 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.700 7.286 -6.029 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.474 7.372 -5.915 1.00 0.00 H new ATOM 344 N ALA A 26 4.166 6.568 -8.879 1.00 0.00 N ATOM 345 CA ALA A 26 5.519 6.049 -8.776 1.00 0.00 C ATOM 346 C ALA A 26 5.718 5.424 -7.394 1.00 0.00 C ATOM 347 O ALA A 26 6.235 4.314 -7.280 1.00 0.00 O ATOM 348 CB ALA A 26 6.519 7.173 -9.057 1.00 0.00 C ATOM 0 H ALA A 26 4.080 7.431 -9.416 1.00 0.00 H new ATOM 0 HA ALA A 26 5.688 5.268 -9.518 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.534 6.784 -8.980 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.355 7.563 -10.062 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.381 7.973 -8.330 1.00 0.00 H new ATOM 354 N GLU A 27 5.297 6.164 -6.379 1.00 0.00 N ATOM 355 CA GLU A 27 5.422 5.696 -5.009 1.00 0.00 C ATOM 356 C GLU A 27 4.706 4.354 -4.839 1.00 0.00 C ATOM 357 O GLU A 27 5.351 3.317 -4.696 1.00 0.00 O ATOM 358 CB GLU A 27 4.881 6.734 -4.023 1.00 0.00 C ATOM 359 CG GLU A 27 5.813 6.884 -2.819 1.00 0.00 C ATOM 360 CD GLU A 27 5.229 7.856 -1.792 1.00 0.00 C ATOM 361 OE1 GLU A 27 4.714 8.906 -2.233 1.00 0.00 O ATOM 362 OE2 GLU A 27 5.312 7.527 -0.589 1.00 0.00 O ATOM 0 H GLU A 27 4.869 7.085 -6.478 1.00 0.00 H new ATOM 0 HA GLU A 27 6.480 5.552 -4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.772 7.695 -4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.889 6.437 -3.684 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.972 5.911 -2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.787 7.242 -3.151 1.00 0.00 H new ATOM 369 N GLN A 28 3.383 4.418 -4.861 1.00 0.00 N ATOM 370 CA GLN A 28 2.574 3.221 -4.711 1.00 0.00 C ATOM 371 C GLN A 28 3.055 2.131 -5.671 1.00 0.00 C ATOM 372 O GLN A 28 3.206 0.975 -5.278 1.00 0.00 O ATOM 373 CB GLN A 28 1.091 3.530 -4.931 1.00 0.00 C ATOM 374 CG GLN A 28 0.607 4.611 -3.962 1.00 0.00 C ATOM 375 CD GLN A 28 0.614 4.097 -2.521 1.00 0.00 C ATOM 376 OE1 GLN A 28 -0.405 3.726 -1.962 1.00 0.00 O ATOM 377 NE2 GLN A 28 1.816 4.097 -1.952 1.00 0.00 N ATOM 0 H GLN A 28 2.851 5.280 -4.980 1.00 0.00 H new ATOM 0 HA GLN A 28 2.688 2.855 -3.691 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.933 3.860 -5.958 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.502 2.623 -4.793 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.247 5.489 -4.042 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.400 4.925 -4.235 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.629 4.421 -2.477 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.925 3.773 -0.991 1.00 0.00 H new ATOM 386 N LYS A 29 3.281 2.538 -6.912 1.00 0.00 N ATOM 387 CA LYS A 29 3.742 1.610 -7.931 1.00 0.00 C ATOM 388 C LYS A 29 5.043 0.953 -7.465 1.00 0.00 C ATOM 389 O LYS A 29 5.097 -0.262 -7.280 1.00 0.00 O ATOM 390 CB LYS A 29 3.859 2.315 -9.283 1.00 0.00 C ATOM 391 CG LYS A 29 3.011 1.611 -10.344 1.00 0.00 C ATOM 392 CD LYS A 29 3.375 2.097 -11.749 1.00 0.00 C ATOM 393 CE LYS A 29 3.313 3.623 -11.834 1.00 0.00 C ATOM 394 NZ LYS A 29 2.634 4.045 -13.080 1.00 0.00 N ATOM 0 H LYS A 29 3.154 3.497 -7.235 1.00 0.00 H new ATOM 0 HA LYS A 29 3.015 0.811 -8.076 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.538 3.352 -9.185 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.902 2.333 -9.599 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.161 0.533 -10.278 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.954 1.798 -10.153 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.377 1.755 -12.008 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.691 1.661 -12.477 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.780 4.020 -10.970 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.321 4.036 -11.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.600 5.084 -13.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.159 3.682 -13.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.665 3.666 -13.093 1.00 0.00 H new ATOM 408 N GLU A 30 6.059 1.785 -7.290 1.00 0.00 N ATOM 409 CA GLU A 30 7.356 1.300 -6.850 1.00 0.00 C ATOM 410 C GLU A 30 7.216 0.526 -5.537 1.00 0.00 C ATOM 411 O GLU A 30 7.806 -0.541 -5.376 1.00 0.00 O ATOM 412 CB GLU A 30 8.352 2.453 -6.703 1.00 0.00 C ATOM 413 CG GLU A 30 8.692 3.060 -8.065 1.00 0.00 C ATOM 414 CD GLU A 30 10.206 3.184 -8.247 1.00 0.00 C ATOM 415 OE1 GLU A 30 10.835 2.134 -8.499 1.00 0.00 O ATOM 416 OE2 GLU A 30 10.700 4.326 -8.130 1.00 0.00 O ATOM 0 H GLU A 30 6.010 2.792 -7.445 1.00 0.00 H new ATOM 0 HA GLU A 30 7.745 0.622 -7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.932 3.221 -6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.262 2.093 -6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.276 2.438 -8.858 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.230 4.043 -8.155 1.00 0.00 H new ATOM 423 N ARG A 31 6.432 1.094 -4.633 1.00 0.00 N ATOM 424 CA ARG A 31 6.207 0.471 -3.340 1.00 0.00 C ATOM 425 C ARG A 31 5.797 -0.992 -3.520 1.00 0.00 C ATOM 426 O ARG A 31 6.416 -1.889 -2.950 1.00 0.00 O ATOM 427 CB ARG A 31 5.117 1.205 -2.557 1.00 0.00 C ATOM 428 CG ARG A 31 5.605 2.581 -2.098 1.00 0.00 C ATOM 429 CD ARG A 31 6.141 2.524 -0.666 1.00 0.00 C ATOM 430 NE ARG A 31 7.603 2.295 -0.682 1.00 0.00 N ATOM 431 CZ ARG A 31 8.505 3.223 -1.030 1.00 0.00 C ATOM 432 NH1 ARG A 31 8.100 4.448 -1.392 1.00 0.00 N ATOM 433 NH2 ARG A 31 9.811 2.926 -1.015 1.00 0.00 N ATOM 0 H ARG A 31 5.944 1.979 -4.770 1.00 0.00 H new ATOM 0 HA ARG A 31 7.140 0.525 -2.780 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.230 1.319 -3.180 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.824 0.611 -1.691 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.387 2.936 -2.769 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.787 3.299 -2.155 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.916 3.456 -0.147 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.645 1.725 -0.115 1.00 0.00 H new ATOM 0 HE ARG A 31 7.946 1.373 -0.411 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.105 4.674 -1.403 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.786 5.155 -1.657 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.119 1.994 -0.739 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.498 3.632 -1.280 1.00 0.00 H new ATOM 447 N MET A 32 4.756 -1.188 -4.316 1.00 0.00 N ATOM 448 CA MET A 32 4.257 -2.527 -4.579 1.00 0.00 C ATOM 449 C MET A 32 5.291 -3.359 -5.340 1.00 0.00 C ATOM 450 O MET A 32 5.435 -4.555 -5.093 1.00 0.00 O ATOM 451 CB MET A 32 2.968 -2.440 -5.399 1.00 0.00 C ATOM 452 CG MET A 32 1.815 -1.896 -4.552 1.00 0.00 C ATOM 453 SD MET A 32 0.252 -2.340 -5.292 1.00 0.00 S ATOM 454 CE MET A 32 -0.189 -0.782 -6.042 1.00 0.00 C ATOM 0 H MET A 32 4.245 -0.442 -4.787 1.00 0.00 H new ATOM 0 HA MET A 32 4.059 -3.014 -3.624 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.125 -1.794 -6.263 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.709 -3.427 -5.782 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.875 -2.297 -3.540 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.893 -0.812 -4.470 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.148 -0.882 -6.551 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.266 -0.016 -5.271 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.577 -0.496 -6.763 1.00 0.00 H new ATOM 464 N LEU A 33 5.985 -2.692 -6.251 1.00 0.00 N ATOM 465 CA LEU A 33 7.001 -3.355 -7.051 1.00 0.00 C ATOM 466 C LEU A 33 8.138 -3.820 -6.138 1.00 0.00 C ATOM 467 O LEU A 33 8.603 -4.953 -6.249 1.00 0.00 O ATOM 468 CB LEU A 33 7.462 -2.446 -8.192 1.00 0.00 C ATOM 469 CG LEU A 33 6.986 -2.836 -9.593 1.00 0.00 C ATOM 470 CD1 LEU A 33 6.275 -1.667 -10.276 1.00 0.00 C ATOM 471 CD2 LEU A 33 8.144 -3.374 -10.436 1.00 0.00 C ATOM 0 H LEU A 33 5.864 -1.700 -6.453 1.00 0.00 H new ATOM 0 HA LEU A 33 6.590 -4.244 -7.529 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.121 -1.432 -7.983 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.552 -2.422 -8.193 1.00 0.00 H new ATOM 0 HG LEU A 33 6.258 -3.642 -9.494 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.947 -1.971 -11.270 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.410 -1.371 -9.683 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.961 -0.824 -10.362 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.778 -3.644 -11.427 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.913 -2.607 -10.529 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.567 -4.255 -9.953 1.00 0.00 H new ATOM 483 N ALA A 34 8.553 -2.921 -5.258 1.00 0.00 N ATOM 484 CA ALA A 34 9.626 -3.225 -4.327 1.00 0.00 C ATOM 485 C ALA A 34 9.165 -4.320 -3.363 1.00 0.00 C ATOM 486 O ALA A 34 9.983 -5.072 -2.835 1.00 0.00 O ATOM 487 CB ALA A 34 10.048 -1.947 -3.598 1.00 0.00 C ATOM 0 H ALA A 34 8.165 -1.982 -5.170 1.00 0.00 H new ATOM 0 HA ALA A 34 10.500 -3.601 -4.859 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.853 -2.175 -2.900 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.395 -1.212 -4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.197 -1.542 -3.051 1.00 0.00 H new ATOM 493 N LEU A 35 7.856 -4.375 -3.163 1.00 0.00 N ATOM 494 CA LEU A 35 7.276 -5.366 -2.272 1.00 0.00 C ATOM 495 C LEU A 35 7.123 -6.692 -3.021 1.00 0.00 C ATOM 496 O LEU A 35 7.585 -7.731 -2.552 1.00 0.00 O ATOM 497 CB LEU A 35 5.970 -4.846 -1.670 1.00 0.00 C ATOM 498 CG LEU A 35 5.065 -5.896 -1.023 1.00 0.00 C ATOM 499 CD1 LEU A 35 5.366 -6.033 0.471 1.00 0.00 C ATOM 500 CD2 LEU A 35 3.590 -5.584 -1.284 1.00 0.00 C ATOM 0 H LEU A 35 7.181 -3.749 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 35 7.938 -5.552 -1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.213 -4.093 -0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.406 -4.343 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 35 5.277 -6.861 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.709 -6.786 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.404 -6.335 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.199 -5.076 0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.968 -6.346 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.345 -4.607 -0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.404 -5.577 -2.358 1.00 0.00 H new ATOM 512 N ALA A 36 6.474 -6.612 -4.173 1.00 0.00 N ATOM 513 CA ALA A 36 6.254 -7.793 -4.991 1.00 0.00 C ATOM 514 C ALA A 36 7.603 -8.424 -5.341 1.00 0.00 C ATOM 515 O ALA A 36 7.662 -9.579 -5.761 1.00 0.00 O ATOM 516 CB ALA A 36 5.451 -7.409 -6.236 1.00 0.00 C ATOM 0 H ALA A 36 6.093 -5.748 -4.560 1.00 0.00 H new ATOM 0 HA ALA A 36 5.674 -8.536 -4.444 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.286 -8.294 -6.850 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.490 -6.992 -5.935 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.004 -6.667 -6.811 1.00 0.00 H new ATOM 522 N GLU A 37 8.654 -7.639 -5.153 1.00 0.00 N ATOM 523 CA GLU A 37 9.999 -8.107 -5.443 1.00 0.00 C ATOM 524 C GLU A 37 10.600 -8.790 -4.213 1.00 0.00 C ATOM 525 O GLU A 37 11.675 -9.384 -4.291 1.00 0.00 O ATOM 526 CB GLU A 37 10.888 -6.958 -5.922 1.00 0.00 C ATOM 527 CG GLU A 37 10.741 -6.741 -7.429 1.00 0.00 C ATOM 528 CD GLU A 37 12.021 -6.152 -8.026 1.00 0.00 C ATOM 529 OE1 GLU A 37 12.469 -5.113 -7.495 1.00 0.00 O ATOM 530 OE2 GLU A 37 12.522 -6.755 -9.000 1.00 0.00 O ATOM 0 H GLU A 37 8.601 -6.682 -4.804 1.00 0.00 H new ATOM 0 HA GLU A 37 9.942 -8.839 -6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.623 -6.043 -5.392 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.929 -7.175 -5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.511 -7.689 -7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.903 -6.071 -7.624 1.00 0.00 H new ATOM 537 N ARG A 38 9.881 -8.683 -3.106 1.00 0.00 N ATOM 538 CA ARG A 38 10.330 -9.282 -1.861 1.00 0.00 C ATOM 539 C ARG A 38 9.473 -10.504 -1.521 1.00 0.00 C ATOM 540 O ARG A 38 9.869 -11.337 -0.707 1.00 0.00 O ATOM 541 CB ARG A 38 10.256 -8.279 -0.708 1.00 0.00 C ATOM 542 CG ARG A 38 8.817 -8.121 -0.210 1.00 0.00 C ATOM 543 CD ARG A 38 8.758 -8.162 1.318 1.00 0.00 C ATOM 544 NE ARG A 38 8.017 -9.363 1.764 1.00 0.00 N ATOM 545 CZ ARG A 38 8.577 -10.565 1.955 1.00 0.00 C ATOM 546 NH1 ARG A 38 9.889 -10.734 1.740 1.00 0.00 N ATOM 547 NH2 ARG A 38 7.826 -11.598 2.361 1.00 0.00 N ATOM 0 H ARG A 38 8.990 -8.190 -3.045 1.00 0.00 H new ATOM 0 HA ARG A 38 11.368 -9.587 -1.995 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.893 -8.613 0.111 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.639 -7.313 -1.037 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.406 -7.177 -0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.196 -8.916 -0.623 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.768 -8.174 1.729 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.271 -7.263 1.696 1.00 0.00 H new ATOM 0 HE ARG A 38 7.016 -9.270 1.937 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.461 -9.948 1.431 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.316 -11.649 1.885 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.827 -11.469 2.525 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.253 -12.513 2.506 1.00 0.00 H new ATOM 561 N ILE A 39 8.315 -10.571 -2.161 1.00 0.00 N ATOM 562 CA ILE A 39 7.399 -11.677 -1.937 1.00 0.00 C ATOM 563 C ILE A 39 7.411 -12.599 -3.158 1.00 0.00 C ATOM 564 O ILE A 39 7.240 -13.810 -3.027 1.00 0.00 O ATOM 565 CB ILE A 39 6.008 -11.155 -1.573 1.00 0.00 C ATOM 566 CG1 ILE A 39 5.468 -10.228 -2.665 1.00 0.00 C ATOM 567 CG2 ILE A 39 6.017 -10.479 -0.201 1.00 0.00 C ATOM 568 CD1 ILE A 39 3.954 -10.047 -2.531 1.00 0.00 C ATOM 0 H ILE A 39 7.990 -9.878 -2.835 1.00 0.00 H new ATOM 0 HA ILE A 39 7.723 -12.274 -1.084 1.00 0.00 H new ATOM 0 HB ILE A 39 5.330 -12.006 -1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.961 -9.258 -2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.703 -10.640 -3.646 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.016 -10.117 0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.329 -11.198 0.557 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.712 -9.640 -0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.596 -9.384 -3.319 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.462 -11.016 -2.620 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.724 -9.612 -1.558 1.00 0.00 H new ATOM 580 N GLY A 40 7.613 -11.990 -4.317 1.00 0.00 N ATOM 581 CA GLY A 40 7.649 -12.741 -5.560 1.00 0.00 C ATOM 582 C GLY A 40 6.348 -12.563 -6.346 1.00 0.00 C ATOM 583 O GLY A 40 5.941 -13.454 -7.090 1.00 0.00 O ATOM 0 H GLY A 40 7.753 -10.985 -4.421 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.492 -12.409 -6.166 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.807 -13.798 -5.346 1.00 0.00 H new ATOM 587 N TRP A 41 5.733 -11.406 -6.155 1.00 0.00 N ATOM 588 CA TRP A 41 4.487 -11.099 -6.836 1.00 0.00 C ATOM 589 C TRP A 41 3.449 -12.142 -6.416 1.00 0.00 C ATOM 590 O TRP A 41 2.638 -12.580 -7.230 1.00 0.00 O ATOM 591 CB TRP A 41 4.691 -11.037 -8.351 1.00 0.00 C ATOM 592 CG TRP A 41 5.882 -10.179 -8.784 1.00 0.00 C ATOM 593 CD1 TRP A 41 7.187 -10.433 -8.616 1.00 0.00 C ATOM 594 CD2 TRP A 41 5.823 -8.909 -9.467 1.00 0.00 C ATOM 595 NE1 TRP A 41 7.970 -9.425 -9.139 1.00 0.00 N ATOM 596 CE2 TRP A 41 7.115 -8.468 -9.673 1.00 0.00 C ATOM 597 CE3 TRP A 41 4.715 -8.157 -9.897 1.00 0.00 C ATOM 598 CZ2 TRP A 41 7.420 -7.262 -10.313 1.00 0.00 C ATOM 599 CZ3 TRP A 41 5.037 -6.954 -10.535 1.00 0.00 C ATOM 600 CH2 TRP A 41 6.332 -6.496 -10.750 1.00 0.00 C ATOM 0 H TRP A 41 6.074 -10.669 -5.538 1.00 0.00 H new ATOM 0 HA TRP A 41 4.125 -10.112 -6.550 1.00 0.00 H new ATOM 0 HB2 TRP A 41 4.829 -12.049 -8.730 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.786 -10.644 -8.813 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.577 -11.316 -8.132 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.989 -9.389 -9.135 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.696 -8.482 -9.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.440 -6.939 -10.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 4.222 -6.338 -10.885 1.00 0.00 H new ATOM 0 HH2 TRP A 41 6.498 -5.554 -11.252 1.00 0.00 H new ATOM 611 N ARG A 42 3.508 -12.509 -5.144 1.00 0.00 N ATOM 612 CA ARG A 42 2.583 -13.492 -4.605 1.00 0.00 C ATOM 613 C ARG A 42 2.174 -13.111 -3.181 1.00 0.00 C ATOM 614 O ARG A 42 2.947 -12.488 -2.455 1.00 0.00 O ATOM 615 CB ARG A 42 3.208 -14.888 -4.593 1.00 0.00 C ATOM 616 CG ARG A 42 2.147 -15.967 -4.818 1.00 0.00 C ATOM 617 CD ARG A 42 2.699 -17.356 -4.492 1.00 0.00 C ATOM 618 NE ARG A 42 2.944 -18.109 -5.742 1.00 0.00 N ATOM 619 CZ ARG A 42 1.981 -18.474 -6.600 1.00 0.00 C ATOM 620 NH1 ARG A 42 0.704 -18.157 -6.349 1.00 0.00 N ATOM 621 NH2 ARG A 42 2.296 -19.157 -7.710 1.00 0.00 N ATOM 0 H ARG A 42 4.182 -12.143 -4.471 1.00 0.00 H new ATOM 0 HA ARG A 42 1.703 -13.506 -5.248 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.970 -14.955 -5.369 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.708 -15.058 -3.639 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.277 -15.762 -4.194 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.810 -15.940 -5.854 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.626 -17.264 -3.925 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.993 -17.899 -3.863 1.00 0.00 H new ATOM 0 HE ARG A 42 3.906 -18.366 -5.965 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.464 -17.638 -5.505 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.028 -18.435 -7.002 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.268 -19.399 -7.901 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.563 -19.435 -8.363 1.00 0.00 H new ATOM 635 N ILE A 43 0.959 -13.502 -2.824 1.00 0.00 N ATOM 636 CA ILE A 43 0.439 -13.210 -1.499 1.00 0.00 C ATOM 637 C ILE A 43 0.198 -14.522 -0.749 1.00 0.00 C ATOM 638 O ILE A 43 0.042 -15.574 -1.367 1.00 0.00 O ATOM 639 CB ILE A 43 -0.802 -12.320 -1.596 1.00 0.00 C ATOM 640 CG1 ILE A 43 -0.434 -10.916 -2.079 1.00 0.00 C ATOM 641 CG2 ILE A 43 -1.559 -12.289 -0.266 1.00 0.00 C ATOM 642 CD1 ILE A 43 -0.734 -10.754 -3.571 1.00 0.00 C ATOM 0 H ILE A 43 0.320 -14.018 -3.429 1.00 0.00 H new ATOM 0 HA ILE A 43 1.167 -12.642 -0.920 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.474 -12.750 -2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.993 -10.173 -1.509 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.624 -10.730 -1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.437 -11.650 -0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.873 -13.299 -0.002 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.907 -11.896 0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.463 -9.747 -3.889 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.156 -11.482 -4.140 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.797 -10.917 -3.748 1.00 0.00 H new ATOM 654 N GLN A 44 0.176 -14.416 0.571 1.00 0.00 N ATOM 655 CA GLN A 44 -0.043 -15.581 1.412 1.00 0.00 C ATOM 656 C GLN A 44 -0.297 -15.152 2.858 1.00 0.00 C ATOM 657 O GLN A 44 -0.379 -13.960 3.150 1.00 0.00 O ATOM 658 CB GLN A 44 1.139 -16.548 1.326 1.00 0.00 C ATOM 659 CG GLN A 44 0.929 -17.573 0.210 1.00 0.00 C ATOM 660 CD GLN A 44 1.103 -19.000 0.735 1.00 0.00 C ATOM 661 OE1 GLN A 44 0.568 -19.380 1.764 1.00 0.00 O ATOM 662 NE2 GLN A 44 1.879 -19.766 -0.026 1.00 0.00 N ATOM 0 H GLN A 44 0.306 -13.541 1.079 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.927 -16.106 1.050 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.057 -15.990 1.144 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.262 -17.063 2.279 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.069 -17.456 -0.212 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.640 -17.389 -0.596 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.296 -19.385 -0.875 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.057 -20.735 0.240 1.00 0.00 H new ATOM 671 N ARG A 45 -0.413 -16.147 3.725 1.00 0.00 N ATOM 672 CA ARG A 45 -0.656 -15.887 5.134 1.00 0.00 C ATOM 673 C ARG A 45 0.646 -15.488 5.832 1.00 0.00 C ATOM 674 O ARG A 45 0.621 -14.933 6.930 1.00 0.00 O ATOM 675 CB ARG A 45 -1.242 -17.118 5.828 1.00 0.00 C ATOM 676 CG ARG A 45 -1.549 -16.825 7.298 1.00 0.00 C ATOM 677 CD ARG A 45 -0.560 -17.543 8.219 1.00 0.00 C ATOM 678 NE ARG A 45 -1.266 -18.067 9.409 1.00 0.00 N ATOM 679 CZ ARG A 45 -0.668 -18.342 10.576 1.00 0.00 C ATOM 680 NH1 ARG A 45 0.650 -18.145 10.717 1.00 0.00 N ATOM 681 NH2 ARG A 45 -1.387 -18.814 11.603 1.00 0.00 N ATOM 0 H ARG A 45 -0.343 -17.134 3.479 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.374 -15.070 5.202 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.154 -17.428 5.317 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.539 -17.948 5.758 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.502 -15.751 7.476 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.565 -17.143 7.531 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.078 -18.360 7.682 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.228 -16.856 8.527 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.270 -18.229 9.336 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.198 -17.786 9.936 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.105 -18.354 11.606 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.390 -18.964 11.497 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.931 -19.023 12.491 1.00 0.00 H new ATOM 695 N GLN A 46 1.752 -15.786 5.167 1.00 0.00 N ATOM 696 CA GLN A 46 3.061 -15.466 5.710 1.00 0.00 C ATOM 697 C GLN A 46 3.413 -14.005 5.419 1.00 0.00 C ATOM 698 O GLN A 46 3.939 -13.306 6.283 1.00 0.00 O ATOM 699 CB GLN A 46 4.131 -16.408 5.155 1.00 0.00 C ATOM 700 CG GLN A 46 3.851 -17.856 5.564 1.00 0.00 C ATOM 701 CD GLN A 46 4.943 -18.382 6.499 1.00 0.00 C ATOM 702 OE1 GLN A 46 6.031 -18.744 6.083 1.00 0.00 O ATOM 703 NE2 GLN A 46 4.592 -18.404 7.782 1.00 0.00 N ATOM 0 H GLN A 46 1.769 -16.246 4.257 1.00 0.00 H new ATOM 0 HA GLN A 46 3.028 -15.604 6.791 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.159 -16.332 4.068 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.112 -16.106 5.521 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.882 -17.917 6.060 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.794 -18.484 4.675 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.664 -18.086 8.062 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.251 -18.739 8.485 1.00 0.00 H new ATOM 712 N ASP A 47 3.109 -13.588 4.199 1.00 0.00 N ATOM 713 CA ASP A 47 3.387 -12.224 3.783 1.00 0.00 C ATOM 714 C ASP A 47 2.266 -11.307 4.276 1.00 0.00 C ATOM 715 O ASP A 47 2.414 -10.086 4.278 1.00 0.00 O ATOM 716 CB ASP A 47 3.452 -12.115 2.258 1.00 0.00 C ATOM 717 CG ASP A 47 4.330 -13.163 1.572 1.00 0.00 C ATOM 718 OD1 ASP A 47 4.167 -14.353 1.916 1.00 0.00 O ATOM 719 OD2 ASP A 47 5.144 -12.750 0.718 1.00 0.00 O ATOM 0 H ASP A 47 2.673 -14.171 3.485 1.00 0.00 H new ATOM 0 HA ASP A 47 4.348 -11.932 4.206 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.440 -12.193 1.860 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.822 -11.124 1.995 1.00 0.00 H new ATOM 724 N ASP A 48 1.169 -11.931 4.681 1.00 0.00 N ATOM 725 CA ASP A 48 0.024 -11.186 5.174 1.00 0.00 C ATOM 726 C ASP A 48 0.510 -10.040 6.063 1.00 0.00 C ATOM 727 O ASP A 48 0.029 -8.914 5.949 1.00 0.00 O ATOM 728 CB ASP A 48 -0.893 -12.078 6.013 1.00 0.00 C ATOM 729 CG ASP A 48 -2.374 -12.024 5.633 1.00 0.00 C ATOM 730 OD1 ASP A 48 -2.649 -12.080 4.415 1.00 0.00 O ATOM 731 OD2 ASP A 48 -3.197 -11.927 6.568 1.00 0.00 O ATOM 0 H ASP A 48 1.050 -12.944 4.678 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.528 -10.808 4.313 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.549 -13.109 5.928 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.792 -11.794 7.060 1.00 0.00 H new ATOM 736 N GLU A 49 1.459 -10.366 6.928 1.00 0.00 N ATOM 737 CA GLU A 49 2.016 -9.378 7.836 1.00 0.00 C ATOM 738 C GLU A 49 2.602 -8.204 7.048 1.00 0.00 C ATOM 739 O GLU A 49 2.367 -7.045 7.387 1.00 0.00 O ATOM 740 CB GLU A 49 3.070 -10.005 8.750 1.00 0.00 C ATOM 741 CG GLU A 49 2.617 -9.974 10.211 1.00 0.00 C ATOM 742 CD GLU A 49 3.403 -8.930 11.007 1.00 0.00 C ATOM 743 OE1 GLU A 49 4.586 -9.211 11.298 1.00 0.00 O ATOM 744 OE2 GLU A 49 2.803 -7.875 11.307 1.00 0.00 O ATOM 0 H GLU A 49 1.856 -11.301 7.019 1.00 0.00 H new ATOM 0 HA GLU A 49 1.212 -9.001 8.469 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.255 -11.035 8.445 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.013 -9.468 8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.552 -9.748 10.260 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.755 -10.958 10.659 1.00 0.00 H new ATOM 751 N VAL A 50 3.354 -8.545 6.012 1.00 0.00 N ATOM 752 CA VAL A 50 3.976 -7.535 5.173 1.00 0.00 C ATOM 753 C VAL A 50 2.904 -6.862 4.314 1.00 0.00 C ATOM 754 O VAL A 50 2.956 -5.655 4.083 1.00 0.00 O ATOM 755 CB VAL A 50 5.100 -8.161 4.345 1.00 0.00 C ATOM 756 CG1 VAL A 50 6.013 -7.083 3.758 1.00 0.00 C ATOM 757 CG2 VAL A 50 5.901 -9.164 5.178 1.00 0.00 C ATOM 0 H VAL A 50 3.547 -9.507 5.734 1.00 0.00 H new ATOM 0 HA VAL A 50 4.436 -6.760 5.786 1.00 0.00 H new ATOM 0 HB VAL A 50 4.644 -8.702 3.516 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.804 -7.554 3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.430 -6.424 3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.456 -6.502 4.567 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.694 -9.594 4.566 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.341 -8.655 6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.240 -9.958 5.526 1.00 0.00 H new ATOM 767 N ILE A 51 1.957 -7.672 3.863 1.00 0.00 N ATOM 768 CA ILE A 51 0.875 -7.170 3.034 1.00 0.00 C ATOM 769 C ILE A 51 0.036 -6.179 3.843 1.00 0.00 C ATOM 770 O ILE A 51 -0.012 -4.993 3.521 1.00 0.00 O ATOM 771 CB ILE A 51 0.064 -8.329 2.451 1.00 0.00 C ATOM 772 CG1 ILE A 51 0.970 -9.312 1.707 1.00 0.00 C ATOM 773 CG2 ILE A 51 -1.072 -7.814 1.566 1.00 0.00 C ATOM 774 CD1 ILE A 51 1.135 -8.904 0.241 1.00 0.00 C ATOM 0 H ILE A 51 1.917 -8.673 4.056 1.00 0.00 H new ATOM 0 HA ILE A 51 1.273 -6.627 2.177 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.394 -8.874 3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.946 -9.349 2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.548 -10.315 1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.632 -8.659 1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.738 -7.185 2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.657 -7.231 0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.783 -9.619 -0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.160 -8.891 -0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.580 -7.910 0.188 1.00 0.00 H new ATOM 786 N GLN A 52 -0.605 -6.702 4.878 1.00 0.00 N ATOM 787 CA GLN A 52 -1.440 -5.878 5.736 1.00 0.00 C ATOM 788 C GLN A 52 -0.636 -4.694 6.279 1.00 0.00 C ATOM 789 O GLN A 52 -1.203 -3.653 6.606 1.00 0.00 O ATOM 790 CB GLN A 52 -2.038 -6.704 6.876 1.00 0.00 C ATOM 791 CG GLN A 52 -2.935 -7.818 6.333 1.00 0.00 C ATOM 792 CD GLN A 52 -3.965 -8.251 7.379 1.00 0.00 C ATOM 793 OE1 GLN A 52 -3.640 -8.815 8.411 1.00 0.00 O ATOM 794 NE2 GLN A 52 -5.221 -7.957 7.055 1.00 0.00 N ATOM 0 H GLN A 52 -0.563 -7.686 5.142 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.267 -5.489 5.142 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.237 -7.137 7.475 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.615 -6.056 7.535 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.447 -7.473 5.435 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.324 -8.673 6.043 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.423 -7.483 6.175 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.982 -8.205 7.687 1.00 0.00 H new ATOM 803 N ARG A 53 0.671 -4.894 6.359 1.00 0.00 N ATOM 804 CA ARG A 53 1.558 -3.856 6.857 1.00 0.00 C ATOM 805 C ARG A 53 1.842 -2.829 5.759 1.00 0.00 C ATOM 806 O ARG A 53 1.782 -1.624 6.001 1.00 0.00 O ATOM 807 CB ARG A 53 2.881 -4.450 7.345 1.00 0.00 C ATOM 808 CG ARG A 53 3.932 -3.356 7.544 1.00 0.00 C ATOM 809 CD ARG A 53 3.485 -2.353 8.610 1.00 0.00 C ATOM 810 NE ARG A 53 4.620 -1.485 8.996 1.00 0.00 N ATOM 811 CZ ARG A 53 5.670 -1.898 9.719 1.00 0.00 C ATOM 812 NH1 ARG A 53 5.736 -3.169 10.139 1.00 0.00 N ATOM 813 NH2 ARG A 53 6.654 -1.041 10.021 1.00 0.00 N ATOM 0 H ARG A 53 1.137 -5.759 6.087 1.00 0.00 H new ATOM 0 HA ARG A 53 1.061 -3.368 7.695 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.721 -4.981 8.283 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.244 -5.181 6.623 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.880 -3.807 7.838 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.105 -2.837 6.601 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.665 -1.745 8.228 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.108 -2.883 9.485 1.00 0.00 H new ATOM 0 HE ARG A 53 4.602 -0.511 8.693 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.987 -3.822 9.908 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.535 -3.483 10.689 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.604 -0.074 9.701 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.453 -1.355 10.571 1.00 0.00 H new ATOM 827 N PHE A 54 2.145 -3.343 4.576 1.00 0.00 N ATOM 828 CA PHE A 54 2.438 -2.485 3.441 1.00 0.00 C ATOM 829 C PHE A 54 1.319 -1.466 3.219 1.00 0.00 C ATOM 830 O PHE A 54 1.571 -0.349 2.770 1.00 0.00 O ATOM 831 CB PHE A 54 2.539 -3.390 2.211 1.00 0.00 C ATOM 832 CG PHE A 54 2.545 -2.633 0.881 1.00 0.00 C ATOM 833 CD1 PHE A 54 1.371 -2.291 0.287 1.00 0.00 C ATOM 834 CD2 PHE A 54 3.726 -2.303 0.292 1.00 0.00 C ATOM 835 CE1 PHE A 54 1.377 -1.589 -0.947 1.00 0.00 C ATOM 836 CE2 PHE A 54 3.732 -1.601 -0.942 1.00 0.00 C ATOM 837 CZ PHE A 54 2.558 -1.259 -1.536 1.00 0.00 C ATOM 0 H PHE A 54 2.194 -4.343 4.379 1.00 0.00 H new ATOM 0 HA PHE A 54 3.362 -1.935 3.620 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.450 -3.984 2.283 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.702 -4.088 2.216 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.433 -2.553 0.754 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.659 -2.575 0.763 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.444 -1.317 -1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.670 -1.339 -1.409 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.563 -0.726 -2.475 1.00 0.00 H new ATOM 847 N CYS A 55 0.106 -1.887 3.545 1.00 0.00 N ATOM 848 CA CYS A 55 -1.053 -1.025 3.388 1.00 0.00 C ATOM 849 C CYS A 55 -0.950 0.109 4.409 1.00 0.00 C ATOM 850 O CYS A 55 -1.630 1.127 4.283 1.00 0.00 O ATOM 851 CB CYS A 55 -2.362 -1.805 3.531 1.00 0.00 C ATOM 852 SG CYS A 55 -3.788 -0.688 3.269 1.00 0.00 S ATOM 0 H CYS A 55 -0.099 -2.814 3.917 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.064 -0.606 2.382 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.390 -2.620 2.808 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.420 -2.256 4.522 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.150 -0.732 2.021 1.00 0.00 H new ATOM 858 N GLN A 56 -0.095 -0.104 5.399 1.00 0.00 N ATOM 859 CA GLN A 56 0.106 0.889 6.441 1.00 0.00 C ATOM 860 C GLN A 56 1.162 1.908 6.008 1.00 0.00 C ATOM 861 O GLN A 56 1.197 3.026 6.519 1.00 0.00 O ATOM 862 CB GLN A 56 0.495 0.224 7.763 1.00 0.00 C ATOM 863 CG GLN A 56 -0.527 -0.843 8.162 1.00 0.00 C ATOM 864 CD GLN A 56 -1.279 -0.434 9.431 1.00 0.00 C ATOM 865 OE1 GLN A 56 -1.381 0.732 9.774 1.00 0.00 O ATOM 866 NE2 GLN A 56 -1.798 -1.456 10.105 1.00 0.00 N ATOM 0 H GLN A 56 0.466 -0.949 5.501 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.835 1.416 6.600 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.482 -0.229 7.669 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.564 0.978 8.547 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.236 -0.995 7.348 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.020 -1.794 8.326 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.675 -2.409 9.761 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.319 -1.287 10.966 1.00 0.00 H new ATOM 875 N GLU A 57 1.996 1.485 5.070 1.00 0.00 N ATOM 876 CA GLU A 57 3.050 2.347 4.562 1.00 0.00 C ATOM 877 C GLU A 57 2.608 3.015 3.259 1.00 0.00 C ATOM 878 O GLU A 57 3.105 4.083 2.905 1.00 0.00 O ATOM 879 CB GLU A 57 4.350 1.564 4.364 1.00 0.00 C ATOM 880 CG GLU A 57 4.331 0.796 3.041 1.00 0.00 C ATOM 881 CD GLU A 57 5.739 0.338 2.652 1.00 0.00 C ATOM 882 OE1 GLU A 57 6.537 1.221 2.271 1.00 0.00 O ATOM 883 OE2 GLU A 57 5.984 -0.884 2.746 1.00 0.00 O ATOM 0 H GLU A 57 1.964 0.557 4.648 1.00 0.00 H new ATOM 0 HA GLU A 57 3.242 3.127 5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.197 2.249 4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.489 0.868 5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.674 -0.070 3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.921 1.429 2.255 1.00 0.00 H new ATOM 890 N THR A 58 1.678 2.358 2.580 1.00 0.00 N ATOM 891 CA THR A 58 1.163 2.875 1.324 1.00 0.00 C ATOM 892 C THR A 58 -0.301 3.290 1.478 1.00 0.00 C ATOM 893 O THR A 58 -0.629 4.472 1.384 1.00 0.00 O ATOM 894 CB THR A 58 1.383 1.809 0.248 1.00 0.00 C ATOM 895 OG1 THR A 58 0.760 0.644 0.782 1.00 0.00 O ATOM 896 CG2 THR A 58 2.855 1.414 0.108 1.00 0.00 C ATOM 0 H THR A 58 1.268 1.472 2.877 1.00 0.00 H new ATOM 0 HA THR A 58 1.693 3.778 1.021 1.00 0.00 H new ATOM 0 HB THR A 58 1.013 2.177 -0.709 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.307 -0.143 0.577 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.956 0.655 -0.668 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.443 2.291 -0.163 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.216 1.014 1.055 1.00 0.00 H new ATOM 904 N GLY A 59 -1.144 2.294 1.712 1.00 0.00 N ATOM 905 CA GLY A 59 -2.566 2.541 1.879 1.00 0.00 C ATOM 906 C GLY A 59 -3.382 1.769 0.841 1.00 0.00 C ATOM 907 O GLY A 59 -4.605 1.892 0.792 1.00 0.00 O ATOM 0 H GLY A 59 -0.869 1.315 1.790 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.875 2.246 2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.767 3.608 1.784 1.00 0.00 H new ATOM 911 N VAL A 60 -2.673 0.990 0.037 1.00 0.00 N ATOM 912 CA VAL A 60 -3.317 0.198 -0.997 1.00 0.00 C ATOM 913 C VAL A 60 -4.038 -0.987 -0.351 1.00 0.00 C ATOM 914 O VAL A 60 -3.550 -1.560 0.621 1.00 0.00 O ATOM 915 CB VAL A 60 -2.288 -0.228 -2.046 1.00 0.00 C ATOM 916 CG1 VAL A 60 -2.893 -1.230 -3.032 1.00 0.00 C ATOM 917 CG2 VAL A 60 -1.717 0.987 -2.780 1.00 0.00 C ATOM 0 H VAL A 60 -1.659 0.890 0.081 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.068 0.790 -1.519 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.466 -0.722 -1.528 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.141 -1.517 -3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.228 -2.115 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.742 -0.773 -3.541 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.988 0.656 -3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.524 1.522 -3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.231 1.650 -2.064 1.00 0.00 H new ATOM 927 N PRO A 61 -5.219 -1.327 -0.934 1.00 0.00 N ATOM 928 CA PRO A 61 -6.013 -2.433 -0.426 1.00 0.00 C ATOM 929 C PRO A 61 -5.393 -3.777 -0.815 1.00 0.00 C ATOM 930 O PRO A 61 -4.966 -3.961 -1.954 1.00 0.00 O ATOM 931 CB PRO A 61 -7.399 -2.226 -1.013 1.00 0.00 C ATOM 932 CG PRO A 61 -7.215 -1.283 -2.192 1.00 0.00 C ATOM 933 CD PRO A 61 -5.828 -0.671 -2.087 1.00 0.00 C ATOM 0 HA PRO A 61 -6.056 -2.454 0.663 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.833 -3.173 -1.334 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.077 -1.799 -0.274 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.324 -1.822 -3.133 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.978 -0.504 -2.181 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.249 -0.846 -2.994 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.881 0.409 -1.946 1.00 0.00 H new ATOM 941 N ARG A 62 -5.364 -4.682 0.152 1.00 0.00 N ATOM 942 CA ARG A 62 -4.804 -6.003 -0.076 1.00 0.00 C ATOM 943 C ARG A 62 -5.366 -6.602 -1.367 1.00 0.00 C ATOM 944 O ARG A 62 -4.618 -7.139 -2.183 1.00 0.00 O ATOM 945 CB ARG A 62 -5.116 -6.942 1.092 1.00 0.00 C ATOM 946 CG ARG A 62 -4.573 -8.347 0.825 1.00 0.00 C ATOM 947 CD ARG A 62 -4.401 -9.126 2.131 1.00 0.00 C ATOM 948 NE ARG A 62 -5.413 -10.202 2.216 1.00 0.00 N ATOM 949 CZ ARG A 62 -6.659 -10.026 2.679 1.00 0.00 C ATOM 950 NH1 ARG A 62 -7.053 -8.817 3.100 1.00 0.00 N ATOM 951 NH2 ARG A 62 -7.510 -11.060 2.720 1.00 0.00 N ATOM 0 H ARG A 62 -5.719 -4.526 1.095 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.723 -5.895 -0.162 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.678 -6.547 2.008 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.194 -6.988 1.248 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.253 -8.884 0.164 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.615 -8.279 0.309 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.399 -9.553 2.180 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.502 -8.452 2.982 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.146 -11.135 1.903 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.405 -8.030 3.068 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.001 -8.684 3.452 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.210 -11.981 2.399 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.458 -10.927 3.072 1.00 0.00 H new ATOM 965 N GLN A 63 -6.678 -6.491 -1.511 1.00 0.00 N ATOM 966 CA GLN A 63 -7.348 -7.015 -2.689 1.00 0.00 C ATOM 967 C GLN A 63 -6.727 -6.428 -3.958 1.00 0.00 C ATOM 968 O GLN A 63 -6.742 -7.062 -5.012 1.00 0.00 O ATOM 969 CB GLN A 63 -8.851 -6.737 -2.634 1.00 0.00 C ATOM 970 CG GLN A 63 -9.605 -7.589 -3.658 1.00 0.00 C ATOM 971 CD GLN A 63 -10.415 -6.709 -4.613 1.00 0.00 C ATOM 972 OE1 GLN A 63 -11.091 -5.775 -4.215 1.00 0.00 O ATOM 973 NE2 GLN A 63 -10.309 -7.060 -5.892 1.00 0.00 N ATOM 0 H GLN A 63 -7.295 -6.046 -0.832 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.213 -8.096 -2.709 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.227 -6.948 -1.633 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.036 -5.681 -2.828 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.897 -8.193 -4.226 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -10.271 -8.280 -3.142 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -9.725 -7.853 -6.156 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -10.812 -6.536 -6.608 1.00 0.00 H new ATOM 982 N VAL A 64 -6.197 -5.222 -3.816 1.00 0.00 N ATOM 983 CA VAL A 64 -5.572 -4.542 -4.938 1.00 0.00 C ATOM 984 C VAL A 64 -4.135 -5.042 -5.096 1.00 0.00 C ATOM 985 O VAL A 64 -3.694 -5.331 -6.208 1.00 0.00 O ATOM 986 CB VAL A 64 -5.660 -3.026 -4.745 1.00 0.00 C ATOM 987 CG1 VAL A 64 -4.466 -2.322 -5.393 1.00 0.00 C ATOM 988 CG2 VAL A 64 -6.981 -2.480 -5.290 1.00 0.00 C ATOM 0 H VAL A 64 -6.187 -4.698 -2.941 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.099 -4.770 -5.865 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.630 -2.821 -3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.552 -1.246 -5.242 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.542 -2.679 -4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.452 -2.538 -6.461 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.018 -1.401 -5.140 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.055 -2.701 -6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.813 -2.948 -4.764 1.00 0.00 H new ATOM 998 N LEU A 65 -3.445 -5.129 -3.969 1.00 0.00 N ATOM 999 CA LEU A 65 -2.067 -5.590 -3.969 1.00 0.00 C ATOM 1000 C LEU A 65 -1.993 -6.964 -4.637 1.00 0.00 C ATOM 1001 O LEU A 65 -0.922 -7.396 -5.060 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.493 -5.564 -2.550 1.00 0.00 C ATOM 1003 CG LEU A 65 0.031 -5.640 -2.442 1.00 0.00 C ATOM 1004 CD1 LEU A 65 0.540 -7.030 -2.827 1.00 0.00 C ATOM 1005 CD2 LEU A 65 0.695 -4.537 -3.269 1.00 0.00 C ATOM 0 H LEU A 65 -3.814 -4.888 -3.049 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.440 -4.917 -4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.827 -4.649 -2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.919 -6.398 -1.992 1.00 0.00 H new ATOM 0 HG LEU A 65 0.308 -5.473 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.626 -7.056 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.105 -7.774 -2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.252 -7.251 -3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.778 -4.614 -3.175 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.413 -4.648 -4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.367 -3.563 -2.906 1.00 0.00 H new ATOM 1017 N LYS A 66 -3.146 -7.614 -4.711 1.00 0.00 N ATOM 1018 CA LYS A 66 -3.225 -8.930 -5.320 1.00 0.00 C ATOM 1019 C LYS A 66 -3.330 -8.779 -6.839 1.00 0.00 C ATOM 1020 O LYS A 66 -2.378 -9.068 -7.563 1.00 0.00 O ATOM 1021 CB LYS A 66 -4.368 -9.739 -4.703 1.00 0.00 C ATOM 1022 CG LYS A 66 -4.731 -10.936 -5.583 1.00 0.00 C ATOM 1023 CD LYS A 66 -5.684 -11.885 -4.853 1.00 0.00 C ATOM 1024 CE LYS A 66 -4.924 -12.769 -3.862 1.00 0.00 C ATOM 1025 NZ LYS A 66 -4.575 -14.065 -4.486 1.00 0.00 N ATOM 0 H LYS A 66 -4.033 -7.253 -4.359 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.317 -9.498 -5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.078 -10.087 -3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.242 -9.100 -4.574 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.196 -10.586 -6.505 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.825 -11.472 -5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.443 -11.308 -4.324 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.206 -12.510 -5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.017 -12.261 -3.533 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.534 -12.938 -2.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.060 -14.653 -3.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.445 -14.555 -4.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.975 -13.899 -5.319 1.00 0.00 H new ATOM 1039 N VAL A 67 -4.495 -8.327 -7.278 1.00 0.00 N ATOM 1040 CA VAL A 67 -4.737 -8.133 -8.698 1.00 0.00 C ATOM 1041 C VAL A 67 -3.631 -7.252 -9.283 1.00 0.00 C ATOM 1042 O VAL A 67 -3.086 -7.557 -10.343 1.00 0.00 O ATOM 1043 CB VAL A 67 -6.138 -7.559 -8.917 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -7.214 -8.565 -8.501 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -6.310 -6.233 -8.173 1.00 0.00 C ATOM 0 H VAL A 67 -5.283 -8.089 -6.675 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.706 -9.087 -9.225 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.257 -7.363 -9.983 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.200 -8.132 -8.667 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.112 -9.473 -9.095 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.097 -8.807 -7.445 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.315 -5.847 -8.346 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.161 -6.393 -7.105 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.577 -5.513 -8.538 1.00 0.00 H new ATOM 1055 N TRP A 68 -3.334 -6.177 -8.568 1.00 0.00 N ATOM 1056 CA TRP A 68 -2.304 -5.250 -9.004 1.00 0.00 C ATOM 1057 C TRP A 68 -1.166 -6.064 -9.623 1.00 0.00 C ATOM 1058 O TRP A 68 -0.854 -5.905 -10.802 1.00 0.00 O ATOM 1059 CB TRP A 68 -1.842 -4.361 -7.848 1.00 0.00 C ATOM 1060 CG TRP A 68 -0.761 -3.349 -8.234 1.00 0.00 C ATOM 1061 CD1 TRP A 68 -0.922 -2.077 -8.623 1.00 0.00 C ATOM 1062 CD2 TRP A 68 0.664 -3.579 -8.252 1.00 0.00 C ATOM 1063 NE1 TRP A 68 0.289 -1.473 -8.890 1.00 0.00 N ATOM 1064 CE2 TRP A 68 1.284 -2.415 -8.656 1.00 0.00 C ATOM 1065 CE3 TRP A 68 1.404 -4.732 -7.936 1.00 0.00 C ATOM 1066 CZ2 TRP A 68 2.673 -2.291 -8.783 1.00 0.00 C ATOM 1067 CZ3 TRP A 68 2.790 -4.592 -8.068 1.00 0.00 C ATOM 1068 CH2 TRP A 68 3.430 -3.427 -8.474 1.00 0.00 C ATOM 0 H TRP A 68 -3.789 -5.927 -7.690 1.00 0.00 H new ATOM 0 HA TRP A 68 -2.694 -4.567 -9.759 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.703 -3.824 -7.450 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.463 -4.994 -7.046 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -1.880 -1.586 -8.716 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.429 -0.512 -9.202 1.00 0.00 H new ATOM 0 HE3 TRP A 68 0.939 -5.653 -7.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 3.135 -1.369 -9.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.405 -5.449 -7.838 1.00 0.00 H new ATOM 0 HH2 TRP A 68 4.507 -3.398 -8.551 1.00 0.00 H new ATOM 1079 N LEU A 69 -0.577 -6.919 -8.799 1.00 0.00 N ATOM 1080 CA LEU A 69 0.520 -7.759 -9.251 1.00 0.00 C ATOM 1081 C LEU A 69 0.160 -8.376 -10.604 1.00 0.00 C ATOM 1082 O LEU A 69 0.951 -8.324 -11.544 1.00 0.00 O ATOM 1083 CB LEU A 69 0.881 -8.790 -8.181 1.00 0.00 C ATOM 1084 CG LEU A 69 1.194 -8.233 -6.790 1.00 0.00 C ATOM 1085 CD1 LEU A 69 0.805 -9.232 -5.699 1.00 0.00 C ATOM 1086 CD2 LEU A 69 2.661 -7.813 -6.686 1.00 0.00 C ATOM 0 H LEU A 69 -0.839 -7.048 -7.822 1.00 0.00 H new ATOM 0 HA LEU A 69 1.420 -7.163 -9.402 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.055 -9.495 -8.091 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.746 -9.356 -8.527 1.00 0.00 H new ATOM 0 HG LEU A 69 0.591 -7.338 -6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.038 -8.811 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.263 -9.439 -5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.363 -10.158 -5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.857 -7.421 -5.688 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.301 -8.677 -6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.872 -7.042 -7.427 1.00 0.00 H new