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= -0.718 USER MOD Single : A 28 GLN : amide:sc= -6.98! C(o=-7!,f=-8.4!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -155:sc= -9.04! (180deg=-11.7!) USER MOD Single : A 44 GLN : amide:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc=-0.00961 X(o=-0.0096,f=0) USER MOD Single : A 55 CYS SG : rot 102:sc= -0.151 USER MOD Single : A 56 GLN : amide:sc= -3.93! C(o=-3.9!,f=-5.3!) USER MOD Single : A 58 THR OG1 : rot -102:sc= 0.999 USER MOD Single : A 63 GLN : amide:sc= -0.0775 K(o=-0.078,f=-0.82) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 288 N LYS A 23 -5.111 4.848 -8.656 1.00 0.00 N ATOM 289 CA LYS A 23 -4.088 5.668 -9.283 1.00 0.00 C ATOM 290 C LYS A 23 -2.769 5.498 -8.526 1.00 0.00 C ATOM 291 O LYS A 23 -2.390 6.358 -7.732 1.00 0.00 O ATOM 292 CB LYS A 23 -4.555 7.121 -9.386 1.00 0.00 C ATOM 293 CG LYS A 23 -4.590 7.583 -10.844 1.00 0.00 C ATOM 294 CD LYS A 23 -3.178 7.859 -11.366 1.00 0.00 C ATOM 295 CE LYS A 23 -3.216 8.764 -12.599 1.00 0.00 C ATOM 296 NZ LYS A 23 -3.106 10.186 -12.203 1.00 0.00 N ATOM 0 HA LYS A 23 -3.912 5.340 -10.308 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.547 7.220 -8.945 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.886 7.763 -8.813 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.066 6.820 -11.460 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.196 8.485 -10.929 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.583 8.330 -10.583 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.689 6.918 -11.616 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.400 8.504 -13.273 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.145 8.604 -13.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.133 10.786 -13.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.899 10.435 -11.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.208 10.338 -11.701 1.00 0.00 H new ATOM 310 N PHE A 24 -2.107 4.383 -8.797 1.00 0.00 N ATOM 311 CA PHE A 24 -0.839 4.090 -8.152 1.00 0.00 C ATOM 312 C PHE A 24 0.275 4.985 -8.699 1.00 0.00 C ATOM 313 O PHE A 24 0.609 4.914 -9.881 1.00 0.00 O ATOM 314 CB PHE A 24 -0.505 2.630 -8.465 1.00 0.00 C ATOM 315 CG PHE A 24 -1.682 1.669 -8.284 1.00 0.00 C ATOM 316 CD1 PHE A 24 -1.967 1.168 -7.053 1.00 0.00 C ATOM 317 CD2 PHE A 24 -2.443 1.317 -9.355 1.00 0.00 C ATOM 318 CE1 PHE A 24 -3.059 0.276 -6.885 1.00 0.00 C ATOM 319 CE2 PHE A 24 -3.535 0.426 -9.187 1.00 0.00 C ATOM 320 CZ PHE A 24 -3.820 -0.076 -7.955 1.00 0.00 C ATOM 0 H PHE A 24 -2.425 3.671 -9.455 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.917 4.269 -7.080 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.149 2.562 -9.493 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.314 2.310 -7.822 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.363 1.448 -6.203 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.216 1.715 -10.333 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.285 -0.123 -5.907 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.140 0.147 -10.037 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.651 -0.754 -7.827 1.00 0.00 H new ATOM 330 N THR A 25 0.820 5.806 -7.813 1.00 0.00 N ATOM 331 CA THR A 25 1.889 6.713 -8.193 1.00 0.00 C ATOM 332 C THR A 25 3.249 6.027 -8.044 1.00 0.00 C ATOM 333 O THR A 25 3.340 4.940 -7.477 1.00 0.00 O ATOM 334 CB THR A 25 1.754 7.982 -7.350 1.00 0.00 C ATOM 335 OG1 THR A 25 3.051 8.569 -7.394 1.00 0.00 O ATOM 336 CG2 THR A 25 1.533 7.679 -5.866 1.00 0.00 C ATOM 0 H THR A 25 0.541 5.862 -6.833 1.00 0.00 H new ATOM 0 HA THR A 25 1.815 6.993 -9.244 1.00 0.00 H new ATOM 0 HB THR A 25 0.924 8.580 -7.726 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.052 9.399 -6.873 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.444 8.614 -5.313 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.619 7.098 -5.746 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.379 7.109 -5.481 1.00 0.00 H new ATOM 344 N ALA A 26 4.270 6.691 -8.564 1.00 0.00 N ATOM 345 CA ALA A 26 5.621 6.159 -8.497 1.00 0.00 C ATOM 346 C ALA A 26 5.830 5.481 -7.141 1.00 0.00 C ATOM 347 O ALA A 26 6.453 4.423 -7.062 1.00 0.00 O ATOM 348 CB ALA A 26 6.626 7.285 -8.746 1.00 0.00 C ATOM 0 H ALA A 26 4.190 7.593 -9.034 1.00 0.00 H new ATOM 0 HA ALA A 26 5.776 5.406 -9.270 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.639 6.886 -8.696 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.454 7.715 -9.733 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.502 8.058 -7.987 1.00 0.00 H new ATOM 354 N GLU A 27 5.296 6.117 -6.108 1.00 0.00 N ATOM 355 CA GLU A 27 5.417 5.588 -4.761 1.00 0.00 C ATOM 356 C GLU A 27 4.712 4.234 -4.657 1.00 0.00 C ATOM 357 O GLU A 27 5.363 3.200 -4.512 1.00 0.00 O ATOM 358 CB GLU A 27 4.861 6.575 -3.732 1.00 0.00 C ATOM 359 CG GLU A 27 5.797 6.698 -2.528 1.00 0.00 C ATOM 360 CD GLU A 27 5.240 7.683 -1.499 1.00 0.00 C ATOM 361 OE1 GLU A 27 5.509 8.892 -1.667 1.00 0.00 O ATOM 362 OE2 GLU A 27 4.558 7.204 -0.567 1.00 0.00 O ATOM 0 H GLU A 27 4.779 6.993 -6.177 1.00 0.00 H new ATOM 0 HA GLU A 27 6.475 5.443 -4.543 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.728 7.553 -4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.877 6.244 -3.400 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.931 5.720 -2.065 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.780 7.031 -2.860 1.00 0.00 H new ATOM 369 N GLN A 28 3.390 4.283 -4.734 1.00 0.00 N ATOM 370 CA GLN A 28 2.590 3.074 -4.651 1.00 0.00 C ATOM 371 C GLN A 28 3.107 2.026 -5.638 1.00 0.00 C ATOM 372 O GLN A 28 3.258 0.857 -5.286 1.00 0.00 O ATOM 373 CB GLN A 28 1.110 3.377 -4.898 1.00 0.00 C ATOM 374 CG GLN A 28 0.592 4.423 -3.909 1.00 0.00 C ATOM 375 CD GLN A 28 0.609 3.880 -2.479 1.00 0.00 C ATOM 376 OE1 GLN A 28 -0.400 3.467 -1.932 1.00 0.00 O ATOM 377 NE2 GLN A 28 1.809 3.905 -1.905 1.00 0.00 N ATOM 0 H GLN A 28 2.853 5.142 -4.853 1.00 0.00 H new ATOM 0 HA GLN A 28 2.681 2.671 -3.642 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.974 3.737 -5.918 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.527 2.461 -4.803 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.207 5.321 -3.968 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.423 4.713 -4.180 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.613 4.264 -2.420 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.925 3.565 -0.950 1.00 0.00 H new ATOM 386 N LYS A 29 3.365 2.482 -6.855 1.00 0.00 N ATOM 387 CA LYS A 29 3.862 1.599 -7.896 1.00 0.00 C ATOM 388 C LYS A 29 5.160 0.940 -7.423 1.00 0.00 C ATOM 389 O LYS A 29 5.217 -0.278 -7.257 1.00 0.00 O ATOM 390 CB LYS A 29 4.004 2.355 -9.218 1.00 0.00 C ATOM 391 CG LYS A 29 3.096 1.754 -10.293 1.00 0.00 C ATOM 392 CD LYS A 29 3.367 2.390 -11.658 1.00 0.00 C ATOM 393 CE LYS A 29 3.211 3.910 -11.596 1.00 0.00 C ATOM 394 NZ LYS A 29 2.567 4.416 -12.829 1.00 0.00 N ATOM 0 H LYS A 29 3.239 3.452 -7.143 1.00 0.00 H new ATOM 0 HA LYS A 29 3.148 0.798 -8.088 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.752 3.405 -9.070 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.041 2.320 -9.552 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.258 0.678 -10.351 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.052 1.905 -10.018 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.375 2.138 -11.987 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.679 1.980 -12.397 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.613 4.185 -10.727 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.188 4.377 -11.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.469 5.450 -12.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.153 4.170 -13.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.626 3.984 -12.932 1.00 0.00 H new ATOM 408 N GLU A 30 6.169 1.773 -7.219 1.00 0.00 N ATOM 409 CA GLU A 30 7.462 1.287 -6.768 1.00 0.00 C ATOM 410 C GLU A 30 7.303 0.466 -5.487 1.00 0.00 C ATOM 411 O GLU A 30 7.888 -0.608 -5.357 1.00 0.00 O ATOM 412 CB GLU A 30 8.441 2.444 -6.559 1.00 0.00 C ATOM 413 CG GLU A 30 8.854 3.061 -7.897 1.00 0.00 C ATOM 414 CD GLU A 30 10.377 3.151 -8.013 1.00 0.00 C ATOM 415 OE1 GLU A 30 10.958 3.950 -7.248 1.00 0.00 O ATOM 416 OE2 GLU A 30 10.925 2.418 -8.864 1.00 0.00 O ATOM 0 H GLU A 30 6.118 2.782 -7.358 1.00 0.00 H new ATOM 0 HA GLU A 30 7.875 0.641 -7.542 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.980 3.206 -5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.325 2.086 -6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.458 2.460 -8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.419 4.056 -7.992 1.00 0.00 H new ATOM 423 N ARG A 31 6.508 1.003 -4.573 1.00 0.00 N ATOM 424 CA ARG A 31 6.264 0.333 -3.306 1.00 0.00 C ATOM 425 C ARG A 31 5.878 -1.128 -3.544 1.00 0.00 C ATOM 426 O ARG A 31 6.494 -2.035 -2.986 1.00 0.00 O ATOM 427 CB ARG A 31 5.149 1.027 -2.522 1.00 0.00 C ATOM 428 CG ARG A 31 5.617 2.381 -1.983 1.00 0.00 C ATOM 429 CD ARG A 31 6.087 2.261 -0.532 1.00 0.00 C ATOM 430 NE ARG A 31 7.554 2.067 -0.489 1.00 0.00 N ATOM 431 CZ ARG A 31 8.446 3.038 -0.727 1.00 0.00 C ATOM 432 NH1 ARG A 31 8.027 4.275 -1.027 1.00 0.00 N ATOM 433 NH2 ARG A 31 9.758 2.771 -0.666 1.00 0.00 N ATOM 0 H ARG A 31 6.024 1.894 -4.684 1.00 0.00 H new ATOM 0 HA ARG A 31 7.184 0.379 -2.724 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.281 1.168 -3.166 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.832 0.392 -1.695 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.430 2.762 -2.602 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.803 3.103 -2.047 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.814 3.159 0.023 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.587 1.423 -0.047 1.00 0.00 H new ATOM 0 HE ARG A 31 7.907 1.137 -0.264 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.028 4.478 -1.074 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.707 5.014 -1.208 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.077 1.829 -0.439 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.438 3.510 -0.847 1.00 0.00 H new ATOM 447 N MET A 32 4.861 -1.311 -4.373 1.00 0.00 N ATOM 448 CA MET A 32 4.385 -2.646 -4.691 1.00 0.00 C ATOM 449 C MET A 32 5.440 -3.432 -5.473 1.00 0.00 C ATOM 450 O MET A 32 5.654 -4.616 -5.216 1.00 0.00 O ATOM 451 CB MET A 32 3.103 -2.548 -5.520 1.00 0.00 C ATOM 452 CG MET A 32 1.963 -1.944 -4.697 1.00 0.00 C ATOM 453 SD MET A 32 0.407 -2.197 -5.533 1.00 0.00 S ATOM 454 CE MET A 32 -0.325 -0.583 -5.321 1.00 0.00 C ATOM 0 H MET A 32 4.353 -0.556 -4.834 1.00 0.00 H new ATOM 0 HA MET A 32 4.185 -3.172 -3.757 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.283 -1.935 -6.403 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.817 -3.539 -5.872 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.933 -2.404 -3.709 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.136 -0.878 -4.548 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.411 -0.667 -5.367 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.033 -0.175 -4.353 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.021 0.081 -6.113 1.00 0.00 H new ATOM 464 N LEU A 33 6.072 -2.741 -6.410 1.00 0.00 N ATOM 465 CA LEU A 33 7.099 -3.359 -7.231 1.00 0.00 C ATOM 466 C LEU A 33 8.191 -3.935 -6.327 1.00 0.00 C ATOM 467 O LEU A 33 8.644 -5.059 -6.534 1.00 0.00 O ATOM 468 CB LEU A 33 7.622 -2.367 -8.272 1.00 0.00 C ATOM 469 CG LEU A 33 7.098 -2.552 -9.698 1.00 0.00 C ATOM 470 CD1 LEU A 33 6.459 -1.264 -10.218 1.00 0.00 C ATOM 471 CD2 LEU A 33 8.204 -3.060 -10.626 1.00 0.00 C ATOM 0 H LEU A 33 5.893 -1.759 -6.619 1.00 0.00 H new ATOM 0 HA LEU A 33 6.683 -4.191 -7.799 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.371 -1.359 -7.942 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.710 -2.434 -8.294 1.00 0.00 H new ATOM 0 HG LEU A 33 6.318 -3.313 -9.680 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.095 -1.423 -11.233 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.626 -0.985 -9.573 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.200 -0.465 -10.219 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.806 -3.183 -11.633 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.022 -2.340 -10.645 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.573 -4.019 -10.262 1.00 0.00 H new ATOM 483 N ALA A 34 8.581 -3.137 -5.343 1.00 0.00 N ATOM 484 CA ALA A 34 9.610 -3.553 -4.406 1.00 0.00 C ATOM 485 C ALA A 34 9.089 -4.723 -3.568 1.00 0.00 C ATOM 486 O ALA A 34 9.853 -5.610 -3.191 1.00 0.00 O ATOM 487 CB ALA A 34 10.030 -2.360 -3.546 1.00 0.00 C ATOM 0 H ALA A 34 8.203 -2.205 -5.175 1.00 0.00 H new ATOM 0 HA ALA A 34 10.496 -3.899 -4.938 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.802 -2.672 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.421 -1.569 -4.187 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.167 -1.987 -2.995 1.00 0.00 H new ATOM 493 N LEU A 35 7.792 -4.685 -3.301 1.00 0.00 N ATOM 494 CA LEU A 35 7.160 -5.731 -2.514 1.00 0.00 C ATOM 495 C LEU A 35 7.066 -7.008 -3.352 1.00 0.00 C ATOM 496 O LEU A 35 7.488 -8.076 -2.911 1.00 0.00 O ATOM 497 CB LEU A 35 5.812 -5.252 -1.971 1.00 0.00 C ATOM 498 CG LEU A 35 4.902 -6.333 -1.385 1.00 0.00 C ATOM 499 CD1 LEU A 35 5.516 -6.940 -0.121 1.00 0.00 C ATOM 500 CD2 LEU A 35 3.495 -5.789 -1.134 1.00 0.00 C ATOM 0 H LEU A 35 7.162 -3.947 -3.615 1.00 0.00 H new ATOM 0 HA LEU A 35 7.765 -5.967 -1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.998 -4.505 -1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.275 -4.751 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 35 4.810 -7.136 -2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.849 -7.706 0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.480 -7.388 -0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.657 -6.159 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.869 -6.578 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.546 -4.957 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.065 -5.443 -2.074 1.00 0.00 H new ATOM 512 N ALA A 36 6.512 -6.855 -4.545 1.00 0.00 N ATOM 513 CA ALA A 36 6.358 -7.983 -5.449 1.00 0.00 C ATOM 514 C ALA A 36 7.712 -8.670 -5.635 1.00 0.00 C ATOM 515 O ALA A 36 7.800 -9.897 -5.595 1.00 0.00 O ATOM 516 CB ALA A 36 5.763 -7.499 -6.773 1.00 0.00 C ATOM 0 H ALA A 36 6.164 -5.967 -4.907 1.00 0.00 H new ATOM 0 HA ALA A 36 5.670 -8.718 -5.032 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.648 -8.345 -7.451 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.789 -7.045 -6.590 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.428 -6.762 -7.223 1.00 0.00 H new ATOM 522 N GLU A 37 8.734 -7.851 -5.834 1.00 0.00 N ATOM 523 CA GLU A 37 10.079 -8.365 -6.026 1.00 0.00 C ATOM 524 C GLU A 37 10.633 -8.909 -4.707 1.00 0.00 C ATOM 525 O GLU A 37 11.701 -9.517 -4.683 1.00 0.00 O ATOM 526 CB GLU A 37 11.000 -7.288 -6.604 1.00 0.00 C ATOM 527 CG GLU A 37 10.765 -7.115 -8.106 1.00 0.00 C ATOM 528 CD GLU A 37 12.078 -6.832 -8.838 1.00 0.00 C ATOM 529 OE1 GLU A 37 12.522 -5.665 -8.777 1.00 0.00 O ATOM 530 OE2 GLU A 37 12.610 -7.790 -9.441 1.00 0.00 O ATOM 0 H GLU A 37 8.657 -6.834 -5.866 1.00 0.00 H new ATOM 0 HA GLU A 37 10.035 -9.184 -6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.824 -6.341 -6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.040 -7.559 -6.424 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.305 -8.016 -8.512 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.066 -6.296 -8.276 1.00 0.00 H new ATOM 537 N ARG A 38 9.880 -8.670 -3.643 1.00 0.00 N ATOM 538 CA ARG A 38 10.282 -9.129 -2.324 1.00 0.00 C ATOM 539 C ARG A 38 9.547 -10.422 -1.965 1.00 0.00 C ATOM 540 O ARG A 38 10.167 -11.396 -1.541 1.00 0.00 O ATOM 541 CB ARG A 38 9.988 -8.070 -1.260 1.00 0.00 C ATOM 542 CG ARG A 38 9.779 -8.715 0.112 1.00 0.00 C ATOM 543 CD ARG A 38 10.095 -7.727 1.236 1.00 0.00 C ATOM 544 NE ARG A 38 10.489 -8.461 2.459 1.00 0.00 N ATOM 545 CZ ARG A 38 11.076 -7.892 3.521 1.00 0.00 C ATOM 546 NH1 ARG A 38 11.340 -6.578 3.516 1.00 0.00 N ATOM 547 NH2 ARG A 38 11.399 -8.636 4.587 1.00 0.00 N ATOM 0 H ARG A 38 8.994 -8.165 -3.667 1.00 0.00 H new ATOM 0 HA ARG A 38 11.356 -9.313 -2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.814 -7.360 -1.210 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.099 -7.505 -1.540 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.748 -9.058 0.203 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.417 -9.594 0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.899 -7.058 0.928 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.224 -7.105 1.440 1.00 0.00 H new ATOM 0 HE ARG A 38 10.302 -9.463 2.496 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.094 -6.012 2.704 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.787 -6.144 4.324 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.198 -9.636 4.591 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.846 -8.203 5.395 1.00 0.00 H new ATOM 561 N ILE A 39 8.235 -10.389 -2.147 1.00 0.00 N ATOM 562 CA ILE A 39 7.409 -11.546 -1.848 1.00 0.00 C ATOM 563 C ILE A 39 7.462 -12.524 -3.024 1.00 0.00 C ATOM 564 O ILE A 39 7.386 -13.736 -2.831 1.00 0.00 O ATOM 565 CB ILE A 39 5.991 -11.110 -1.474 1.00 0.00 C ATOM 566 CG1 ILE A 39 5.307 -10.404 -2.648 1.00 0.00 C ATOM 567 CG2 ILE A 39 5.997 -10.246 -0.212 1.00 0.00 C ATOM 568 CD1 ILE A 39 3.839 -10.113 -2.332 1.00 0.00 C ATOM 0 H ILE A 39 7.724 -9.579 -2.498 1.00 0.00 H new ATOM 0 HA ILE A 39 7.795 -12.074 -0.976 1.00 0.00 H new ATOM 0 HB ILE A 39 5.408 -12.003 -1.250 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.827 -9.472 -2.869 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.374 -11.026 -3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.977 -9.950 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.417 -10.816 0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.602 -9.356 -0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.376 -9.611 -3.182 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.317 -11.049 -2.135 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.776 -9.471 -1.454 1.00 0.00 H new ATOM 580 N GLY A 40 7.592 -11.959 -4.215 1.00 0.00 N ATOM 581 CA GLY A 40 7.656 -12.766 -5.422 1.00 0.00 C ATOM 582 C GLY A 40 6.349 -12.676 -6.212 1.00 0.00 C ATOM 583 O GLY A 40 5.988 -13.607 -6.930 1.00 0.00 O ATOM 0 H GLY A 40 7.655 -10.953 -4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.485 -12.430 -6.045 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.855 -13.805 -5.159 1.00 0.00 H new ATOM 587 N TRP A 41 5.676 -11.546 -6.053 1.00 0.00 N ATOM 588 CA TRP A 41 4.417 -11.321 -6.743 1.00 0.00 C ATOM 589 C TRP A 41 3.426 -12.391 -6.278 1.00 0.00 C ATOM 590 O TRP A 41 2.658 -12.921 -7.080 1.00 0.00 O ATOM 591 CB TRP A 41 4.617 -11.310 -8.260 1.00 0.00 C ATOM 592 CG TRP A 41 5.762 -10.412 -8.730 1.00 0.00 C ATOM 593 CD1 TRP A 41 7.078 -10.590 -8.550 1.00 0.00 C ATOM 594 CD2 TRP A 41 5.639 -9.179 -9.471 1.00 0.00 C ATOM 595 NE1 TRP A 41 7.809 -9.567 -9.118 1.00 0.00 N ATOM 596 CE2 TRP A 41 6.907 -8.682 -9.696 1.00 0.00 C ATOM 597 CE3 TRP A 41 4.495 -8.507 -9.935 1.00 0.00 C ATOM 598 CZ2 TRP A 41 7.151 -7.491 -10.391 1.00 0.00 C ATOM 599 CZ3 TRP A 41 4.756 -7.318 -10.628 1.00 0.00 C ATOM 600 CH2 TRP A 41 6.026 -6.804 -10.863 1.00 0.00 C ATOM 0 H TRP A 41 5.979 -10.776 -5.456 1.00 0.00 H new ATOM 0 HA TRP A 41 4.012 -10.340 -6.496 1.00 0.00 H new ATOM 0 HB2 TRP A 41 4.805 -12.329 -8.599 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.693 -10.982 -8.736 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.512 -11.429 -8.026 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.825 -9.477 -9.114 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.494 -8.878 -9.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.153 -7.122 -10.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.911 -6.762 -11.006 1.00 0.00 H new ATOM 0 HH2 TRP A 41 6.144 -5.879 -11.407 1.00 0.00 H new ATOM 611 N ARG A 42 3.476 -12.676 -4.985 1.00 0.00 N ATOM 612 CA ARG A 42 2.592 -13.673 -4.404 1.00 0.00 C ATOM 613 C ARG A 42 2.132 -13.228 -3.015 1.00 0.00 C ATOM 614 O ARG A 42 2.848 -12.509 -2.320 1.00 0.00 O ATOM 615 CB ARG A 42 3.290 -15.029 -4.293 1.00 0.00 C ATOM 616 CG ARG A 42 2.297 -16.175 -4.494 1.00 0.00 C ATOM 617 CD ARG A 42 2.873 -17.497 -3.981 1.00 0.00 C ATOM 618 NE ARG A 42 1.805 -18.518 -3.903 1.00 0.00 N ATOM 619 CZ ARG A 42 2.030 -19.836 -3.806 1.00 0.00 C ATOM 620 NH1 ARG A 42 3.287 -20.299 -3.774 1.00 0.00 N ATOM 621 NH2 ARG A 42 1.000 -20.689 -3.740 1.00 0.00 N ATOM 0 H ARG A 42 4.114 -12.234 -4.323 1.00 0.00 H new ATOM 0 HA ARG A 42 1.728 -13.775 -5.061 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.083 -15.096 -5.038 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.762 -15.120 -3.315 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.368 -15.952 -3.970 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.052 -16.267 -5.552 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.667 -17.839 -4.645 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.320 -17.351 -2.998 1.00 0.00 H new ATOM 0 HE ARG A 42 0.836 -18.199 -3.924 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.071 -19.649 -3.823 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.459 -21.302 -3.700 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.043 -20.336 -3.764 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.172 -21.692 -3.666 1.00 0.00 H new ATOM 635 N ILE A 43 0.939 -13.675 -2.651 1.00 0.00 N ATOM 636 CA ILE A 43 0.374 -13.332 -1.356 1.00 0.00 C ATOM 637 C ILE A 43 0.121 -14.614 -0.560 1.00 0.00 C ATOM 638 O ILE A 43 -0.317 -15.619 -1.117 1.00 0.00 O ATOM 639 CB ILE A 43 -0.870 -12.459 -1.529 1.00 0.00 C ATOM 640 CG1 ILE A 43 -0.533 -11.165 -2.273 1.00 0.00 C ATOM 641 CG2 ILE A 43 -1.540 -12.187 -0.181 1.00 0.00 C ATOM 642 CD1 ILE A 43 -1.651 -10.785 -3.246 1.00 0.00 C ATOM 0 H ILE A 43 0.348 -14.272 -3.230 1.00 0.00 H new ATOM 0 HA ILE A 43 1.078 -12.732 -0.779 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.588 -13.005 -2.141 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.380 -10.358 -1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.403 -11.288 -2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.422 -11.564 -0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.837 -13.132 0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.840 -11.671 0.476 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.386 -9.862 -3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.785 -11.583 -3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.580 -10.639 -2.694 1.00 0.00 H new ATOM 654 N GLN A 44 0.407 -14.536 0.731 1.00 0.00 N ATOM 655 CA GLN A 44 0.215 -15.678 1.610 1.00 0.00 C ATOM 656 C GLN A 44 -0.027 -15.207 3.046 1.00 0.00 C ATOM 657 O GLN A 44 0.030 -14.012 3.329 1.00 0.00 O ATOM 658 CB GLN A 44 1.410 -16.631 1.540 1.00 0.00 C ATOM 659 CG GLN A 44 1.246 -17.631 0.394 1.00 0.00 C ATOM 660 CD GLN A 44 1.493 -19.062 0.877 1.00 0.00 C ATOM 661 OE1 GLN A 44 0.747 -19.615 1.669 1.00 0.00 O ATOM 662 NE2 GLN A 44 2.578 -19.629 0.357 1.00 0.00 N ATOM 0 H GLN A 44 0.770 -13.701 1.190 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.665 -16.226 1.274 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.328 -16.060 1.401 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.508 -17.167 2.484 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.242 -17.552 -0.022 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.943 -17.388 -0.408 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.159 -19.110 -0.301 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.829 -20.583 0.616 1.00 0.00 H new ATOM 671 N ARG A 45 -0.292 -16.173 3.914 1.00 0.00 N ATOM 672 CA ARG A 45 -0.543 -15.872 5.313 1.00 0.00 C ATOM 673 C ARG A 45 0.758 -15.469 6.011 1.00 0.00 C ATOM 674 O ARG A 45 0.743 -15.064 7.173 1.00 0.00 O ATOM 675 CB ARG A 45 -1.149 -17.078 6.035 1.00 0.00 C ATOM 676 CG ARG A 45 -1.513 -16.726 7.479 1.00 0.00 C ATOM 677 CD ARG A 45 -0.542 -17.379 8.464 1.00 0.00 C ATOM 678 NE ARG A 45 -0.312 -16.481 9.618 1.00 0.00 N ATOM 679 CZ ARG A 45 0.608 -16.699 10.568 1.00 0.00 C ATOM 680 NH1 ARG A 45 1.388 -17.786 10.508 1.00 0.00 N ATOM 681 NH2 ARG A 45 0.747 -15.830 11.578 1.00 0.00 N ATOM 0 H ARG A 45 -0.338 -17.164 3.675 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.252 -15.045 5.353 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.039 -17.415 5.504 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.440 -17.906 6.026 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.495 -15.644 7.609 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.530 -17.056 7.692 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.946 -18.331 8.808 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.403 -17.595 7.966 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.890 -15.644 9.695 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.282 -18.448 9.739 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.088 -17.952 11.231 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.153 -15.002 11.624 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.447 -15.996 12.301 1.00 0.00 H new ATOM 695 N GLN A 46 1.851 -15.595 5.274 1.00 0.00 N ATOM 696 CA GLN A 46 3.158 -15.249 5.808 1.00 0.00 C ATOM 697 C GLN A 46 3.488 -13.788 5.496 1.00 0.00 C ATOM 698 O GLN A 46 3.915 -13.043 6.377 1.00 0.00 O ATOM 699 CB GLN A 46 4.238 -16.184 5.262 1.00 0.00 C ATOM 700 CG GLN A 46 3.849 -17.650 5.466 1.00 0.00 C ATOM 701 CD GLN A 46 4.997 -18.438 6.101 1.00 0.00 C ATOM 702 OE1 GLN A 46 5.754 -19.127 5.437 1.00 0.00 O ATOM 703 NE2 GLN A 46 5.082 -18.300 7.421 1.00 0.00 N ATOM 0 H GLN A 46 1.859 -15.932 4.311 1.00 0.00 H new ATOM 0 HA GLN A 46 3.131 -15.372 6.891 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.390 -15.989 4.200 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.185 -15.982 5.762 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.966 -17.711 6.102 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.583 -18.096 4.508 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.416 -17.707 7.916 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.814 -18.787 7.939 1.00 0.00 H new ATOM 712 N ASP A 47 3.279 -13.422 4.240 1.00 0.00 N ATOM 713 CA ASP A 47 3.549 -12.064 3.801 1.00 0.00 C ATOM 714 C ASP A 47 2.484 -11.126 4.373 1.00 0.00 C ATOM 715 O ASP A 47 2.636 -9.906 4.325 1.00 0.00 O ATOM 716 CB ASP A 47 3.502 -11.958 2.275 1.00 0.00 C ATOM 717 CG ASP A 47 4.439 -12.913 1.532 1.00 0.00 C ATOM 718 OD1 ASP A 47 5.453 -13.306 2.147 1.00 0.00 O ATOM 719 OD2 ASP A 47 4.120 -13.227 0.365 1.00 0.00 O ATOM 0 H ASP A 47 2.926 -14.043 3.512 1.00 0.00 H new ATOM 0 HA ASP A 47 4.544 -11.789 4.151 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.480 -12.144 1.944 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.748 -10.935 1.989 1.00 0.00 H new ATOM 724 N ASP A 48 1.430 -11.731 4.901 1.00 0.00 N ATOM 725 CA ASP A 48 0.341 -10.965 5.481 1.00 0.00 C ATOM 726 C ASP A 48 0.915 -9.800 6.288 1.00 0.00 C ATOM 727 O ASP A 48 0.632 -8.639 5.997 1.00 0.00 O ATOM 728 CB ASP A 48 -0.496 -11.828 6.427 1.00 0.00 C ATOM 729 CG ASP A 48 -1.995 -11.856 6.122 1.00 0.00 C ATOM 730 OD1 ASP A 48 -2.377 -11.251 5.097 1.00 0.00 O ATOM 731 OD2 ASP A 48 -2.726 -12.481 6.921 1.00 0.00 O ATOM 0 H ASP A 48 1.307 -12.743 4.939 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.289 -10.606 4.667 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.115 -12.849 6.396 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.355 -11.466 7.445 1.00 0.00 H new ATOM 736 N GLU A 49 1.712 -10.149 7.287 1.00 0.00 N ATOM 737 CA GLU A 49 2.329 -9.147 8.139 1.00 0.00 C ATOM 738 C GLU A 49 2.864 -7.989 7.294 1.00 0.00 C ATOM 739 O GLU A 49 2.807 -6.833 7.711 1.00 0.00 O ATOM 740 CB GLU A 49 3.440 -9.761 8.993 1.00 0.00 C ATOM 741 CG GLU A 49 4.719 -9.950 8.174 1.00 0.00 C ATOM 742 CD GLU A 49 5.655 -10.958 8.845 1.00 0.00 C ATOM 743 OE1 GLU A 49 5.186 -12.089 9.094 1.00 0.00 O ATOM 744 OE2 GLU A 49 6.819 -10.574 9.092 1.00 0.00 O ATOM 0 H GLU A 49 1.945 -11.113 7.526 1.00 0.00 H new ATOM 0 HA GLU A 49 1.569 -8.757 8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.644 -9.118 9.849 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.111 -10.722 9.388 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.466 -10.295 7.171 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.229 -8.993 8.063 1.00 0.00 H new ATOM 751 N VAL A 50 3.370 -8.339 6.120 1.00 0.00 N ATOM 752 CA VAL A 50 3.914 -7.343 5.213 1.00 0.00 C ATOM 753 C VAL A 50 2.776 -6.730 4.394 1.00 0.00 C ATOM 754 O VAL A 50 2.788 -5.534 4.107 1.00 0.00 O ATOM 755 CB VAL A 50 5.006 -7.969 4.343 1.00 0.00 C ATOM 756 CG1 VAL A 50 5.863 -6.890 3.679 1.00 0.00 C ATOM 757 CG2 VAL A 50 5.871 -8.932 5.158 1.00 0.00 C ATOM 0 H VAL A 50 3.414 -9.298 5.776 1.00 0.00 H new ATOM 0 HA VAL A 50 4.385 -6.534 5.772 1.00 0.00 H new ATOM 0 HB VAL A 50 4.519 -8.542 3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.631 -7.362 3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.233 -6.261 3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.336 -6.278 4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.639 -9.363 4.516 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.344 -8.391 5.977 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.247 -9.729 5.562 1.00 0.00 H new ATOM 767 N ILE A 51 1.820 -7.577 4.041 1.00 0.00 N ATOM 768 CA ILE A 51 0.677 -7.133 3.262 1.00 0.00 C ATOM 769 C ILE A 51 -0.123 -6.112 4.073 1.00 0.00 C ATOM 770 O ILE A 51 -0.313 -4.978 3.636 1.00 0.00 O ATOM 771 CB ILE A 51 -0.150 -8.331 2.794 1.00 0.00 C ATOM 772 CG1 ILE A 51 0.700 -9.294 1.962 1.00 0.00 C ATOM 773 CG2 ILE A 51 -1.401 -7.874 2.041 1.00 0.00 C ATOM 774 CD1 ILE A 51 0.622 -8.948 0.474 1.00 0.00 C ATOM 0 H ILE A 51 1.814 -8.569 4.280 1.00 0.00 H new ATOM 0 HA ILE A 51 1.008 -6.629 2.354 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.486 -8.878 3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.737 -9.250 2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.357 -10.317 2.120 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.971 -8.746 1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.017 -7.260 2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.108 -7.290 1.168 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.235 -9.647 -0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.413 -9.016 0.138 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.988 -7.934 0.317 1.00 0.00 H new ATOM 786 N GLN A 52 -0.570 -6.551 5.240 1.00 0.00 N ATOM 787 CA GLN A 52 -1.345 -5.689 6.117 1.00 0.00 C ATOM 788 C GLN A 52 -0.515 -4.475 6.537 1.00 0.00 C ATOM 789 O GLN A 52 -1.058 -3.393 6.754 1.00 0.00 O ATOM 790 CB GLN A 52 -1.847 -6.460 7.339 1.00 0.00 C ATOM 791 CG GLN A 52 -2.719 -7.645 6.920 1.00 0.00 C ATOM 792 CD GLN A 52 -3.582 -8.131 8.087 1.00 0.00 C ATOM 793 OE1 GLN A 52 -3.115 -8.336 9.195 1.00 0.00 O ATOM 794 NE2 GLN A 52 -4.864 -8.302 7.776 1.00 0.00 N ATOM 0 H GLN A 52 -0.411 -7.492 5.599 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.218 -5.335 5.568 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.998 -6.817 7.922 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.419 -5.793 7.984 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.359 -7.354 6.087 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.087 -8.460 6.567 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.189 -8.112 6.828 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.522 -8.623 8.486 1.00 0.00 H new ATOM 803 N ARG A 53 0.787 -4.695 6.639 1.00 0.00 N ATOM 804 CA ARG A 53 1.698 -3.632 7.030 1.00 0.00 C ATOM 805 C ARG A 53 1.887 -2.645 5.876 1.00 0.00 C ATOM 806 O ARG A 53 1.764 -1.435 6.063 1.00 0.00 O ATOM 807 CB ARG A 53 3.060 -4.196 7.438 1.00 0.00 C ATOM 808 CG ARG A 53 4.104 -3.082 7.546 1.00 0.00 C ATOM 809 CD ARG A 53 3.705 -2.059 8.611 1.00 0.00 C ATOM 810 NE ARG A 53 4.308 -2.421 9.913 1.00 0.00 N ATOM 811 CZ ARG A 53 3.733 -3.239 10.806 1.00 0.00 C ATOM 812 NH1 ARG A 53 2.537 -3.783 10.543 1.00 0.00 N ATOM 813 NH2 ARG A 53 4.353 -3.512 11.962 1.00 0.00 N ATOM 0 H ARG A 53 1.234 -5.594 6.458 1.00 0.00 H new ATOM 0 HA ARG A 53 1.260 -3.117 7.885 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.973 -4.712 8.394 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.386 -4.935 6.706 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.075 -3.511 7.794 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.212 -2.585 6.582 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.035 -1.064 8.313 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.619 -2.021 8.702 1.00 0.00 H new ATOM 0 HE ARG A 53 5.218 -2.023 10.146 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.064 -3.575 9.663 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.099 -4.405 11.222 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.263 -3.097 12.163 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.915 -4.134 12.641 1.00 0.00 H new ATOM 827 N PHE A 54 2.182 -3.197 4.709 1.00 0.00 N ATOM 828 CA PHE A 54 2.390 -2.380 3.525 1.00 0.00 C ATOM 829 C PHE A 54 1.209 -1.434 3.298 1.00 0.00 C ATOM 830 O PHE A 54 1.398 -0.278 2.924 1.00 0.00 O ATOM 831 CB PHE A 54 2.498 -3.336 2.335 1.00 0.00 C ATOM 832 CG PHE A 54 2.452 -2.641 0.973 1.00 0.00 C ATOM 833 CD1 PHE A 54 1.258 -2.272 0.438 1.00 0.00 C ATOM 834 CD2 PHE A 54 3.606 -2.394 0.297 1.00 0.00 C ATOM 835 CE1 PHE A 54 1.215 -1.627 -0.826 1.00 0.00 C ATOM 836 CE2 PHE A 54 3.563 -1.749 -0.968 1.00 0.00 C ATOM 837 CZ PHE A 54 2.369 -1.379 -1.503 1.00 0.00 C ATOM 0 H PHE A 54 2.282 -4.201 4.557 1.00 0.00 H new ATOM 0 HA PHE A 54 3.289 -1.775 3.644 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.430 -3.895 2.415 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.686 -4.061 2.389 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.342 -2.470 0.975 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.554 -2.688 0.722 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.266 -1.333 -1.250 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.479 -1.552 -1.505 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.337 -0.889 -2.465 1.00 0.00 H new ATOM 847 N CYS A 55 0.016 -1.960 3.535 1.00 0.00 N ATOM 848 CA CYS A 55 -1.195 -1.177 3.361 1.00 0.00 C ATOM 849 C CYS A 55 -1.222 -0.089 4.436 1.00 0.00 C ATOM 850 O CYS A 55 -1.969 0.882 4.323 1.00 0.00 O ATOM 851 CB CYS A 55 -2.448 -2.055 3.407 1.00 0.00 C ATOM 852 SG CYS A 55 -3.948 -1.010 3.320 1.00 0.00 S ATOM 0 H CYS A 55 -0.137 -2.919 3.846 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.192 -0.713 2.375 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.438 -2.761 2.577 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.457 -2.643 4.325 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.437 -1.052 2.116 1.00 0.00 H new ATOM 858 N GLN A 56 -0.397 -0.286 5.454 1.00 0.00 N ATOM 859 CA GLN A 56 -0.317 0.666 6.548 1.00 0.00 C ATOM 860 C GLN A 56 0.568 1.852 6.156 1.00 0.00 C ATOM 861 O GLN A 56 0.311 2.983 6.563 1.00 0.00 O ATOM 862 CB GLN A 56 0.199 -0.005 7.822 1.00 0.00 C ATOM 863 CG GLN A 56 1.562 0.561 8.227 1.00 0.00 C ATOM 864 CD GLN A 56 1.420 1.967 8.813 1.00 0.00 C ATOM 865 OE1 GLN A 56 2.001 2.928 8.336 1.00 0.00 O ATOM 866 NE2 GLN A 56 0.617 2.033 9.871 1.00 0.00 N ATOM 0 H GLN A 56 0.222 -1.092 5.544 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.320 1.039 6.754 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.516 0.145 8.631 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.280 -1.080 7.663 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.030 -0.097 8.960 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.220 0.590 7.359 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.162 1.189 10.219 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.457 2.927 10.334 1.00 0.00 H new ATOM 875 N GLU A 57 1.590 1.551 5.369 1.00 0.00 N ATOM 876 CA GLU A 57 2.514 2.578 4.917 1.00 0.00 C ATOM 877 C GLU A 57 1.991 3.236 3.639 1.00 0.00 C ATOM 878 O GLU A 57 2.153 4.440 3.446 1.00 0.00 O ATOM 879 CB GLU A 57 3.914 2.000 4.703 1.00 0.00 C ATOM 880 CG GLU A 57 4.018 1.303 3.345 1.00 0.00 C ATOM 881 CD GLU A 57 5.468 0.929 3.030 1.00 0.00 C ATOM 882 OE1 GLU A 57 6.231 1.857 2.684 1.00 0.00 O ATOM 883 OE2 GLU A 57 5.781 -0.276 3.143 1.00 0.00 O ATOM 0 H GLU A 57 1.799 0.611 5.033 1.00 0.00 H new ATOM 0 HA GLU A 57 2.587 3.341 5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.654 2.798 4.764 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.144 1.291 5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.399 0.406 3.344 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.630 1.958 2.565 1.00 0.00 H new ATOM 890 N THR A 58 1.375 2.418 2.798 1.00 0.00 N ATOM 891 CA THR A 58 0.828 2.906 1.544 1.00 0.00 C ATOM 892 C THR A 58 -0.645 3.283 1.715 1.00 0.00 C ATOM 893 O THR A 58 -0.992 4.463 1.710 1.00 0.00 O ATOM 894 CB THR A 58 1.061 1.834 0.478 1.00 0.00 C ATOM 895 OG1 THR A 58 0.369 0.692 0.976 1.00 0.00 O ATOM 896 CG2 THR A 58 2.522 1.383 0.409 1.00 0.00 C ATOM 0 H THR A 58 1.243 1.420 2.961 1.00 0.00 H new ATOM 0 HA THR A 58 1.329 3.819 1.223 1.00 0.00 H new ATOM 0 HB THR A 58 0.753 2.218 -0.495 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.013 0.061 1.361 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.632 0.622 -0.363 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.155 2.237 0.169 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.821 0.969 1.372 1.00 0.00 H new ATOM 904 N GLY A 59 -1.471 2.258 1.864 1.00 0.00 N ATOM 905 CA GLY A 59 -2.899 2.467 2.037 1.00 0.00 C ATOM 906 C GLY A 59 -3.696 1.708 0.974 1.00 0.00 C ATOM 907 O GLY A 59 -4.923 1.788 0.939 1.00 0.00 O ATOM 0 H GLY A 59 -1.179 1.281 1.869 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.201 2.134 3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.125 3.532 1.975 1.00 0.00 H new ATOM 911 N VAL A 60 -2.967 0.990 0.133 1.00 0.00 N ATOM 912 CA VAL A 60 -3.591 0.218 -0.928 1.00 0.00 C ATOM 913 C VAL A 60 -4.263 -1.018 -0.326 1.00 0.00 C ATOM 914 O VAL A 60 -3.743 -1.617 0.614 1.00 0.00 O ATOM 915 CB VAL A 60 -2.557 -0.128 -2.002 1.00 0.00 C ATOM 916 CG1 VAL A 60 -3.145 -1.084 -3.042 1.00 0.00 C ATOM 917 CG2 VAL A 60 -2.012 1.138 -2.666 1.00 0.00 C ATOM 0 H VAL A 60 -1.949 0.926 0.165 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.367 0.804 -1.420 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.724 -0.635 -1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.390 -1.314 -3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.461 -2.005 -2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.004 -0.615 -3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.279 0.864 -3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.831 1.685 -3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.537 1.768 -1.914 1.00 0.00 H new ATOM 927 N PRO A 61 -5.441 -1.372 -0.907 1.00 0.00 N ATOM 928 CA PRO A 61 -6.190 -2.525 -0.438 1.00 0.00 C ATOM 929 C PRO A 61 -5.533 -3.829 -0.895 1.00 0.00 C ATOM 930 O PRO A 61 -5.047 -3.921 -2.022 1.00 0.00 O ATOM 931 CB PRO A 61 -7.591 -2.338 -0.998 1.00 0.00 C ATOM 932 CG PRO A 61 -7.456 -1.339 -2.135 1.00 0.00 C ATOM 933 CD PRO A 61 -6.088 -0.686 -2.022 1.00 0.00 C ATOM 0 HA PRO A 61 -6.216 -2.596 0.649 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.998 -3.284 -1.356 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.272 -1.968 -0.231 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.562 -1.840 -3.097 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.244 -0.588 -2.078 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.517 -0.801 -2.943 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.174 0.384 -1.832 1.00 0.00 H new ATOM 941 N ARG A 62 -5.539 -4.804 0.002 1.00 0.00 N ATOM 942 CA ARG A 62 -4.949 -6.098 -0.295 1.00 0.00 C ATOM 943 C ARG A 62 -5.455 -6.615 -1.644 1.00 0.00 C ATOM 944 O ARG A 62 -4.661 -6.948 -2.522 1.00 0.00 O ATOM 945 CB ARG A 62 -5.286 -7.119 0.793 1.00 0.00 C ATOM 946 CG ARG A 62 -4.776 -8.511 0.415 1.00 0.00 C ATOM 947 CD ARG A 62 -4.890 -9.477 1.596 1.00 0.00 C ATOM 948 NE ARG A 62 -5.522 -10.741 1.158 1.00 0.00 N ATOM 949 CZ ARG A 62 -5.976 -11.684 1.994 1.00 0.00 C ATOM 950 NH1 ARG A 62 -5.871 -11.511 3.319 1.00 0.00 N ATOM 951 NH2 ARG A 62 -6.535 -12.800 1.507 1.00 0.00 N ATOM 0 H ARG A 62 -5.943 -4.724 0.935 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.867 -5.969 -0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.841 -6.809 1.738 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.365 -7.152 0.944 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.348 -8.895 -0.430 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.737 -8.446 0.093 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.901 -9.679 2.008 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.480 -9.023 2.392 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.618 -10.905 0.156 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.446 -10.662 3.690 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.217 -12.229 3.956 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.615 -12.932 0.499 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.880 -13.517 2.144 1.00 0.00 H new ATOM 965 N GLN A 63 -6.773 -6.665 -1.766 1.00 0.00 N ATOM 966 CA GLN A 63 -7.394 -7.135 -2.992 1.00 0.00 C ATOM 967 C GLN A 63 -6.759 -6.452 -4.205 1.00 0.00 C ATOM 968 O GLN A 63 -6.661 -7.047 -5.277 1.00 0.00 O ATOM 969 CB GLN A 63 -8.907 -6.907 -2.964 1.00 0.00 C ATOM 970 CG GLN A 63 -9.603 -7.707 -4.066 1.00 0.00 C ATOM 971 CD GLN A 63 -10.335 -6.779 -5.038 1.00 0.00 C ATOM 972 OE1 GLN A 63 -9.915 -5.667 -5.311 1.00 0.00 O ATOM 973 NE2 GLN A 63 -11.451 -7.297 -5.543 1.00 0.00 N ATOM 0 H GLN A 63 -7.428 -6.388 -1.035 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.223 -8.208 -3.073 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.304 -7.199 -1.992 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.121 -5.846 -3.090 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.868 -8.301 -4.609 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -10.312 -8.406 -3.621 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -11.746 -8.235 -5.272 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.012 -6.756 -6.201 1.00 0.00 H new ATOM 982 N VAL A 64 -6.343 -5.211 -3.994 1.00 0.00 N ATOM 983 CA VAL A 64 -5.720 -4.441 -5.057 1.00 0.00 C ATOM 984 C VAL A 64 -4.259 -4.870 -5.203 1.00 0.00 C ATOM 985 O VAL A 64 -3.795 -5.138 -6.310 1.00 0.00 O ATOM 986 CB VAL A 64 -5.879 -2.944 -4.780 1.00 0.00 C ATOM 987 CG1 VAL A 64 -4.730 -2.147 -5.401 1.00 0.00 C ATOM 988 CG2 VAL A 64 -7.233 -2.435 -5.278 1.00 0.00 C ATOM 0 H VAL A 64 -6.425 -4.721 -3.103 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.212 -4.636 -6.010 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.843 -2.797 -3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.867 -1.086 -5.190 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.784 -2.482 -4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.720 -2.304 -6.480 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.320 -1.369 -5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.312 -2.602 -6.352 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.033 -2.971 -4.768 1.00 0.00 H new ATOM 998 N LEU A 65 -3.575 -4.922 -4.069 1.00 0.00 N ATOM 999 CA LEU A 65 -2.176 -5.314 -4.057 1.00 0.00 C ATOM 1000 C LEU A 65 -2.033 -6.698 -4.694 1.00 0.00 C ATOM 1001 O LEU A 65 -0.959 -7.056 -5.174 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.607 -5.228 -2.639 1.00 0.00 C ATOM 1003 CG LEU A 65 -0.095 -5.420 -2.510 1.00 0.00 C ATOM 1004 CD1 LEU A 65 0.305 -6.859 -2.840 1.00 0.00 C ATOM 1005 CD2 LEU A 65 0.662 -4.404 -3.367 1.00 0.00 C ATOM 0 H LEU A 65 -3.964 -4.699 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.582 -4.624 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.866 -4.254 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.102 -5.979 -2.024 1.00 0.00 H new ATOM 0 HG LEU A 65 0.185 -5.238 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.385 -6.968 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.194 -7.542 -2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.009 -7.093 -3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.735 -4.563 -3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.382 -4.530 -4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.409 -3.394 -3.043 1.00 0.00 H new ATOM 1017 N LYS A 66 -3.131 -7.438 -4.676 1.00 0.00 N ATOM 1018 CA LYS A 66 -3.142 -8.775 -5.246 1.00 0.00 C ATOM 1019 C LYS A 66 -3.254 -8.675 -6.768 1.00 0.00 C ATOM 1020 O LYS A 66 -2.306 -8.991 -7.486 1.00 0.00 O ATOM 1021 CB LYS A 66 -4.242 -9.623 -4.603 1.00 0.00 C ATOM 1022 CG LYS A 66 -4.602 -10.817 -5.489 1.00 0.00 C ATOM 1023 CD LYS A 66 -5.731 -11.641 -4.866 1.00 0.00 C ATOM 1024 CE LYS A 66 -5.173 -12.719 -3.935 1.00 0.00 C ATOM 1025 NZ LYS A 66 -4.967 -13.985 -4.673 1.00 0.00 N ATOM 0 H LYS A 66 -4.020 -7.138 -4.276 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.206 -9.289 -5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.910 -9.977 -3.627 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.128 -9.010 -4.435 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.905 -10.465 -6.475 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.724 -11.446 -5.632 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.400 -10.985 -4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.324 -12.107 -5.653 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.229 -12.384 -3.505 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.860 -12.883 -3.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.588 -14.706 -4.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.874 -14.312 -5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.294 -13.828 -5.450 1.00 0.00 H new ATOM 1039 N VAL A 67 -4.420 -8.234 -7.217 1.00 0.00 N ATOM 1040 CA VAL A 67 -4.668 -8.089 -8.641 1.00 0.00 C ATOM 1041 C VAL A 67 -3.562 -7.233 -9.262 1.00 0.00 C ATOM 1042 O VAL A 67 -3.038 -7.565 -10.324 1.00 0.00 O ATOM 1043 CB VAL A 67 -6.068 -7.516 -8.873 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -7.145 -8.500 -8.413 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -6.229 -6.163 -8.178 1.00 0.00 C ATOM 0 H VAL A 67 -5.204 -7.972 -6.619 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.643 -9.061 -9.134 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.193 -7.359 -9.944 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.131 -8.069 -8.589 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.051 -9.430 -8.973 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.022 -8.703 -7.349 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.233 -5.778 -8.359 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.075 -6.284 -7.106 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.495 -5.461 -8.573 1.00 0.00 H new ATOM 1055 N TRP A 68 -3.240 -6.148 -8.573 1.00 0.00 N ATOM 1056 CA TRP A 68 -2.206 -5.242 -9.043 1.00 0.00 C ATOM 1057 C TRP A 68 -1.071 -6.084 -9.631 1.00 0.00 C ATOM 1058 O TRP A 68 -0.787 -6.003 -10.825 1.00 0.00 O ATOM 1059 CB TRP A 68 -1.740 -4.311 -7.922 1.00 0.00 C ATOM 1060 CG TRP A 68 -0.665 -3.311 -8.350 1.00 0.00 C ATOM 1061 CD1 TRP A 68 -0.834 -2.059 -8.798 1.00 0.00 C ATOM 1062 CD2 TRP A 68 0.761 -3.529 -8.351 1.00 0.00 C ATOM 1063 NE1 TRP A 68 0.374 -1.458 -9.087 1.00 0.00 N ATOM 1064 CE2 TRP A 68 1.375 -2.380 -8.807 1.00 0.00 C ATOM 1065 CE3 TRP A 68 1.509 -4.661 -7.979 1.00 0.00 C ATOM 1066 CZ2 TRP A 68 2.763 -2.251 -8.933 1.00 0.00 C ATOM 1067 CZ3 TRP A 68 2.895 -4.516 -8.111 1.00 0.00 C ATOM 1068 CH2 TRP A 68 3.528 -3.366 -8.568 1.00 0.00 C ATOM 0 H TRP A 68 -3.677 -5.876 -7.693 1.00 0.00 H new ATOM 0 HA TRP A 68 -2.594 -4.586 -9.823 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.600 -3.762 -7.539 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.354 -4.914 -7.100 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -1.795 -1.581 -8.918 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.508 -0.511 -9.441 1.00 0.00 H new ATOM 0 HE3 TRP A 68 1.050 -5.570 -7.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 3.220 -1.341 -9.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.516 -5.357 -7.839 1.00 0.00 H new ATOM 0 HH2 TRP A 68 4.605 -3.332 -8.641 1.00 0.00 H new ATOM 1079 N LEU A 69 -0.454 -6.874 -8.764 1.00 0.00 N ATOM 1080 CA LEU A 69 0.644 -7.730 -9.183 1.00 0.00 C ATOM 1081 C LEU A 69 0.286 -8.396 -10.513 1.00 0.00 C ATOM 1082 O LEU A 69 1.114 -8.461 -11.421 1.00 0.00 O ATOM 1083 CB LEU A 69 1.001 -8.722 -8.074 1.00 0.00 C ATOM 1084 CG LEU A 69 1.328 -8.114 -6.709 1.00 0.00 C ATOM 1085 CD1 LEU A 69 0.973 -9.081 -5.578 1.00 0.00 C ATOM 1086 CD2 LEU A 69 2.789 -7.667 -6.643 1.00 0.00 C ATOM 0 H LEU A 69 -0.693 -6.939 -7.775 1.00 0.00 H new ATOM 0 HA LEU A 69 1.545 -7.140 -9.354 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.168 -9.414 -7.951 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.858 -9.310 -8.402 1.00 0.00 H new ATOM 0 HG LEU A 69 0.713 -7.224 -6.576 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.216 -8.624 -4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.093 -9.307 -5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.543 -10.003 -5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.994 -7.239 -5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.440 -8.526 -6.808 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.975 -6.918 -7.412 1.00 0.00 H new