USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 559 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 THR OG1 : rot -99:sc= 0.931 USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0.823 USER MOD Single : A 27 ASN : amide:sc= -2.36! K(o=-2.4!,f=-0.31) USER MOD Single : A 28 CYS SG : rot 180:sc= -1.72! USER MOD Single : A 30 SER OG : rot 125:sc= 1.26 USER MOD Single : A 31 LYS NZ :NH3+ 162:sc= -0.0295 (180deg=-0.851!) USER MOD Single : A 33 SER OG : rot -42:sc= 0.797 USER MOD Single : A 38 THR OG1 : rot -130:sc= -1.5! USER MOD Single : A 44 SER OG : rot 96:sc= 1.28 USER MOD Single : A 46 MET CE :methyl -143:sc= -2.86! (180deg=-4.5!) USER MOD Single : A 47 THR OG1 : rot 93:sc= 0.601 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -75:sc= 1.25 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 151:sc= 1.21 (180deg=1.06) USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= -0.0294 (180deg=-0.278) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0.278 X(o=0.28,f=0) USER MOD Single : A 90 MET CE :methyl -171:sc= -0.775 (180deg=-1.01) USER MOD Single : A 96 SER OG : rot 80:sc= 0.544 USER MOD Single : A 99 SER OG : rot 86:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 377 N ASN A 27 -2.902 -6.111 11.416 1.00 4.05 N ATOM 378 CA ASN A 27 -3.314 -7.109 10.441 1.00 71.43 C ATOM 379 C ASN A 27 -2.451 -7.066 9.186 1.00 14.34 C ATOM 380 O ASN A 27 -1.634 -6.161 9.006 1.00 1.50 O ATOM 381 CB ASN A 27 -4.795 -6.927 10.071 1.00 51.34 C ATOM 382 CG ASN A 27 -5.173 -5.514 9.638 1.00 33.42 C ATOM 383 OD1 ASN A 27 -6.316 -5.093 9.815 1.00 2.40 O ATOM 384 ND2 ASN A 27 -4.235 -4.767 9.067 1.00 62.43 N ATOM 0 HA ASN A 27 -3.180 -8.087 10.904 1.00 71.43 H new ATOM 0 HB2 ASN A 27 -5.042 -7.618 9.265 1.00 51.34 H new ATOM 0 HB3 ASN A 27 -5.407 -7.206 10.929 1.00 51.34 H new ATOM 0 HD21 ASN A 27 -4.454 -3.818 8.763 1.00 62.43 H new ATOM 0 HD22 ASN A 27 -3.296 -5.142 8.933 1.00 62.43 H new ATOM 391 N CYS A 28 -2.658 -8.041 8.317 1.00 11.21 N ATOM 392 CA CYS A 28 -1.937 -8.123 7.051 1.00 34.40 C ATOM 393 C CYS A 28 -2.833 -7.663 5.906 1.00 21.33 C ATOM 394 O CYS A 28 -2.462 -7.748 4.733 1.00 1.33 O ATOM 395 CB CYS A 28 -1.472 -9.560 6.802 1.00 24.11 C ATOM 396 SG CYS A 28 -0.445 -10.243 8.121 1.00 63.12 S ATOM 0 H CYS A 28 -3.327 -8.797 8.465 1.00 11.21 H new ATOM 0 HA CYS A 28 -1.065 -7.472 7.103 1.00 34.40 H new ATOM 0 HB2 CYS A 28 -2.347 -10.196 6.672 1.00 24.11 H new ATOM 0 HB3 CYS A 28 -0.913 -9.592 5.867 1.00 24.11 H new ATOM 0 HG CYS A 28 -0.105 -11.461 7.819 1.00 63.12 H new ATOM 402 N THR A 29 -4.014 -7.180 6.260 1.00 52.42 N ATOM 403 CA THR A 29 -4.975 -6.704 5.283 1.00 73.13 C ATOM 404 C THR A 29 -4.900 -5.186 5.150 1.00 24.35 C ATOM 405 O THR A 29 -5.016 -4.460 6.136 1.00 22.11 O ATOM 406 CB THR A 29 -6.406 -7.121 5.681 1.00 13.44 C ATOM 407 OG1 THR A 29 -6.462 -8.543 5.861 1.00 61.41 O ATOM 408 CG2 THR A 29 -7.418 -6.702 4.622 1.00 52.11 C ATOM 0 H THR A 29 -4.330 -7.108 7.227 1.00 52.42 H new ATOM 0 HA THR A 29 -4.729 -7.155 4.322 1.00 73.13 H new ATOM 0 HB THR A 29 -6.659 -6.618 6.614 1.00 13.44 H new ATOM 0 HG1 THR A 29 -6.828 -8.961 5.053 1.00 61.41 H new ATOM 0 HG21 THR A 29 -8.417 -7.010 4.931 1.00 52.11 H new ATOM 0 HG22 THR A 29 -7.393 -5.619 4.503 1.00 52.11 H new ATOM 0 HG23 THR A 29 -7.169 -7.177 3.673 1.00 52.11 H new ATOM 416 N SER A 30 -4.686 -4.713 3.932 1.00 54.45 N ATOM 417 CA SER A 30 -4.660 -3.284 3.671 1.00 3.31 C ATOM 418 C SER A 30 -6.000 -2.836 3.108 1.00 15.32 C ATOM 419 O SER A 30 -6.580 -3.505 2.250 1.00 71.02 O ATOM 420 CB SER A 30 -3.533 -2.916 2.697 1.00 11.25 C ATOM 421 OG SER A 30 -3.517 -1.518 2.447 1.00 30.54 O ATOM 0 H SER A 30 -4.528 -5.297 3.111 1.00 54.45 H new ATOM 0 HA SER A 30 -4.472 -2.771 4.614 1.00 3.31 H new ATOM 0 HB2 SER A 30 -2.573 -3.227 3.110 1.00 11.25 H new ATOM 0 HB3 SER A 30 -3.666 -3.456 1.759 1.00 11.25 H new ATOM 0 HG SER A 30 -2.629 -1.159 2.656 1.00 30.54 H new ATOM 427 N LYS A 31 -6.500 -1.721 3.611 1.00 62.30 N ATOM 428 CA LYS A 31 -7.742 -1.157 3.118 1.00 0.35 C ATOM 429 C LYS A 31 -7.463 0.075 2.280 1.00 45.23 C ATOM 430 O LYS A 31 -6.996 1.097 2.788 1.00 64.00 O ATOM 431 CB LYS A 31 -8.670 -0.797 4.277 1.00 52.43 C ATOM 432 CG LYS A 31 -9.294 -1.998 4.964 1.00 44.11 C ATOM 433 CD LYS A 31 -10.406 -2.614 4.129 1.00 72.31 C ATOM 434 CE LYS A 31 -11.759 -1.958 4.394 1.00 34.12 C ATOM 435 NZ LYS A 31 -11.812 -0.530 3.971 1.00 72.11 N ATOM 0 H LYS A 31 -6.063 -1.188 4.363 1.00 62.30 H new ATOM 0 HA LYS A 31 -8.234 -1.906 2.498 1.00 0.35 H new ATOM 0 HB2 LYS A 31 -8.109 -0.221 5.013 1.00 52.43 H new ATOM 0 HB3 LYS A 31 -9.465 -0.150 3.905 1.00 52.43 H new ATOM 0 HG2 LYS A 31 -8.526 -2.747 5.155 1.00 44.11 H new ATOM 0 HG3 LYS A 31 -9.692 -1.696 5.933 1.00 44.11 H new ATOM 0 HD2 LYS A 31 -10.159 -2.519 3.072 1.00 72.31 H new ATOM 0 HD3 LYS A 31 -10.473 -3.680 4.346 1.00 72.31 H new ATOM 0 HE2 LYS A 31 -12.535 -2.515 3.868 1.00 34.12 H new ATOM 0 HE3 LYS A 31 -11.985 -2.024 5.458 1.00 34.12 H new ATOM 0 HZ1 LYS A 31 -12.804 -0.229 3.887 1.00 72.11 H new ATOM 0 HZ2 LYS A 31 -11.330 0.060 4.679 1.00 72.11 H new ATOM 0 HZ3 LYS A 31 -11.339 -0.423 3.051 1.00 72.11 H new ATOM 449 N PHE A 32 -7.732 -0.033 1.001 1.00 52.43 N ATOM 450 CA PHE A 32 -7.584 1.092 0.101 1.00 43.42 C ATOM 451 C PHE A 32 -8.946 1.711 -0.150 1.00 60.10 C ATOM 452 O PHE A 32 -9.839 1.053 -0.670 1.00 22.41 O ATOM 453 CB PHE A 32 -6.945 0.647 -1.219 1.00 33.41 C ATOM 454 CG PHE A 32 -6.805 1.759 -2.224 1.00 2.21 C ATOM 455 CD1 PHE A 32 -5.800 2.704 -2.099 1.00 51.42 C ATOM 456 CD2 PHE A 32 -7.688 1.863 -3.290 1.00 12.21 C ATOM 457 CE1 PHE A 32 -5.676 3.731 -3.015 1.00 75.50 C ATOM 458 CE2 PHE A 32 -7.567 2.889 -4.211 1.00 31.34 C ATOM 459 CZ PHE A 32 -6.561 3.824 -4.072 1.00 61.24 C ATOM 0 H PHE A 32 -8.056 -0.892 0.556 1.00 52.43 H new ATOM 0 HA PHE A 32 -6.928 1.834 0.557 1.00 43.42 H new ATOM 0 HB2 PHE A 32 -5.960 0.228 -1.013 1.00 33.41 H new ATOM 0 HB3 PHE A 32 -7.547 -0.151 -1.654 1.00 33.41 H new ATOM 0 HD1 PHE A 32 -5.105 2.637 -1.275 1.00 51.42 H new ATOM 0 HD2 PHE A 32 -8.478 1.135 -3.402 1.00 12.21 H new ATOM 0 HE1 PHE A 32 -4.888 4.461 -2.905 1.00 75.50 H new ATOM 0 HE2 PHE A 32 -8.259 2.958 -5.037 1.00 31.34 H new ATOM 0 HZ PHE A 32 -6.466 4.627 -4.788 1.00 61.24 H new ATOM 469 N SER A 33 -9.102 2.966 0.230 1.00 32.54 N ATOM 470 CA SER A 33 -10.367 3.659 0.061 1.00 22.12 C ATOM 471 C SER A 33 -10.135 5.039 -0.548 1.00 44.20 C ATOM 472 O SER A 33 -9.643 5.952 0.116 1.00 71.40 O ATOM 473 CB SER A 33 -11.084 3.786 1.407 1.00 70.30 C ATOM 474 OG SER A 33 -11.227 2.522 2.044 1.00 70.20 O ATOM 0 H SER A 33 -8.367 3.528 0.659 1.00 32.54 H new ATOM 0 HA SER A 33 -10.996 3.081 -0.616 1.00 22.12 H new ATOM 0 HB2 SER A 33 -10.525 4.460 2.056 1.00 70.30 H new ATOM 0 HB3 SER A 33 -12.067 4.232 1.256 1.00 70.30 H new ATOM 0 HG SER A 33 -11.490 1.850 1.381 1.00 70.20 H new ATOM 480 N ARG A 34 -10.484 5.183 -1.814 1.00 3.32 N ATOM 481 CA ARG A 34 -10.274 6.434 -2.518 1.00 1.41 C ATOM 482 C ARG A 34 -11.543 6.831 -3.256 1.00 51.32 C ATOM 483 O ARG A 34 -12.227 5.989 -3.837 1.00 0.44 O ATOM 484 CB ARG A 34 -9.103 6.290 -3.492 1.00 10.02 C ATOM 485 CG ARG A 34 -8.206 7.519 -3.604 1.00 3.41 C ATOM 486 CD ARG A 34 -8.877 8.665 -4.342 1.00 4.44 C ATOM 487 NE ARG A 34 -7.992 9.822 -4.483 1.00 61.34 N ATOM 488 CZ ARG A 34 -8.174 10.801 -5.369 1.00 15.33 C ATOM 489 NH1 ARG A 34 -9.250 10.811 -6.147 1.00 15.11 N ATOM 490 NH2 ARG A 34 -7.292 11.785 -5.452 1.00 0.51 N ATOM 0 H ARG A 34 -10.914 4.448 -2.375 1.00 3.32 H new ATOM 0 HA ARG A 34 -10.033 7.218 -1.800 1.00 1.41 H new ATOM 0 HB2 ARG A 34 -8.494 5.441 -3.182 1.00 10.02 H new ATOM 0 HB3 ARG A 34 -9.498 6.055 -4.480 1.00 10.02 H new ATOM 0 HG2 ARG A 34 -7.924 7.851 -2.605 1.00 3.41 H new ATOM 0 HG3 ARG A 34 -7.286 7.247 -4.122 1.00 3.41 H new ATOM 0 HD2 ARG A 34 -9.190 8.326 -5.330 1.00 4.44 H new ATOM 0 HD3 ARG A 34 -9.779 8.962 -3.806 1.00 4.44 H new ATOM 0 HE ARG A 34 -7.184 9.883 -3.863 1.00 61.34 H new ATOM 0 HH11 ARG A 34 -9.943 10.067 -6.069 1.00 15.11 H new ATOM 0 HH12 ARG A 34 -9.384 11.563 -6.823 1.00 15.11 H new ATOM 0 HH21 ARG A 34 -6.477 11.792 -4.839 1.00 0.51 H new ATOM 0 HH22 ARG A 34 -7.428 12.536 -6.129 1.00 0.51 H new ATOM 504 N PHE A 35 -11.853 8.110 -3.220 1.00 1.44 N ATOM 505 CA PHE A 35 -13.054 8.628 -3.861 1.00 33.04 C ATOM 506 C PHE A 35 -12.734 9.096 -5.273 1.00 53.31 C ATOM 507 O PHE A 35 -11.684 9.692 -5.510 1.00 15.13 O ATOM 508 CB PHE A 35 -13.641 9.782 -3.046 1.00 1.44 C ATOM 509 CG PHE A 35 -14.002 9.404 -1.635 1.00 12.52 C ATOM 510 CD1 PHE A 35 -15.186 8.737 -1.361 1.00 52.00 C ATOM 511 CD2 PHE A 35 -13.154 9.717 -0.581 1.00 70.21 C ATOM 512 CE1 PHE A 35 -15.519 8.389 -0.065 1.00 54.54 C ATOM 513 CE2 PHE A 35 -13.484 9.370 0.717 1.00 40.04 C ATOM 514 CZ PHE A 35 -14.667 8.706 0.975 1.00 74.50 C ATOM 0 H PHE A 35 -11.288 8.818 -2.751 1.00 1.44 H new ATOM 0 HA PHE A 35 -13.792 7.827 -3.912 1.00 33.04 H new ATOM 0 HB2 PHE A 35 -12.921 10.600 -3.021 1.00 1.44 H new ATOM 0 HB3 PHE A 35 -14.531 10.156 -3.552 1.00 1.44 H new ATOM 0 HD1 PHE A 35 -15.856 8.486 -2.170 1.00 52.00 H new ATOM 0 HD2 PHE A 35 -12.228 10.237 -0.776 1.00 70.21 H new ATOM 0 HE1 PHE A 35 -16.445 7.870 0.134 1.00 54.54 H new ATOM 0 HE2 PHE A 35 -12.816 9.618 1.529 1.00 40.04 H new ATOM 0 HZ PHE A 35 -14.926 8.435 1.988 1.00 74.50 H new ATOM 524 N PHE A 36 -13.626 8.808 -6.207 1.00 32.15 N ATOM 525 CA PHE A 36 -13.432 9.209 -7.593 1.00 64.05 C ATOM 526 C PHE A 36 -14.683 9.885 -8.127 1.00 10.11 C ATOM 527 O PHE A 36 -15.747 9.809 -7.509 1.00 63.54 O ATOM 528 CB PHE A 36 -13.072 8.002 -8.463 1.00 11.50 C ATOM 529 CG PHE A 36 -11.761 7.371 -8.097 1.00 35.43 C ATOM 530 CD1 PHE A 36 -10.571 7.906 -8.558 1.00 33.13 C ATOM 531 CD2 PHE A 36 -11.720 6.244 -7.294 1.00 1.41 C ATOM 532 CE1 PHE A 36 -9.361 7.326 -8.225 1.00 63.33 C ATOM 533 CE2 PHE A 36 -10.516 5.661 -6.956 1.00 62.05 C ATOM 534 CZ PHE A 36 -9.334 6.202 -7.422 1.00 33.34 C ATOM 0 H PHE A 36 -14.492 8.298 -6.032 1.00 32.15 H new ATOM 0 HA PHE A 36 -12.605 9.918 -7.630 1.00 64.05 H new ATOM 0 HB2 PHE A 36 -13.862 7.255 -8.379 1.00 11.50 H new ATOM 0 HB3 PHE A 36 -13.037 8.314 -9.507 1.00 11.50 H new ATOM 0 HD1 PHE A 36 -10.588 8.786 -9.184 1.00 33.13 H new ATOM 0 HD2 PHE A 36 -12.641 5.816 -6.928 1.00 1.41 H new ATOM 0 HE1 PHE A 36 -8.438 7.751 -8.592 1.00 63.33 H new ATOM 0 HE2 PHE A 36 -10.498 4.783 -6.328 1.00 62.05 H new ATOM 0 HZ PHE A 36 -8.390 5.747 -7.159 1.00 33.34 H new ATOM 544 N ALA A 37 -14.543 10.555 -9.264 1.00 2.24 N ATOM 545 CA ALA A 37 -15.657 11.259 -9.890 1.00 62.43 C ATOM 546 C ALA A 37 -16.767 10.297 -10.302 1.00 5.21 C ATOM 547 O ALA A 37 -17.922 10.459 -9.903 1.00 3.43 O ATOM 548 CB ALA A 37 -15.171 12.054 -11.091 1.00 21.43 C ATOM 0 H ALA A 37 -13.663 10.626 -9.775 1.00 2.24 H new ATOM 0 HA ALA A 37 -16.072 11.947 -9.154 1.00 62.43 H new ATOM 0 HB1 ALA A 37 -16.013 12.574 -11.548 1.00 21.43 H new ATOM 0 HB2 ALA A 37 -14.427 12.782 -10.768 1.00 21.43 H new ATOM 0 HB3 ALA A 37 -14.724 11.377 -11.819 1.00 21.43 H new ATOM 554 N THR A 38 -16.415 9.300 -11.100 1.00 63.03 N ATOM 555 CA THR A 38 -17.380 8.312 -11.546 1.00 70.43 C ATOM 556 C THR A 38 -16.946 6.923 -11.108 1.00 63.44 C ATOM 557 O THR A 38 -15.769 6.699 -10.814 1.00 31.45 O ATOM 558 CB THR A 38 -17.545 8.324 -13.079 1.00 44.25 C ATOM 559 OG1 THR A 38 -16.284 8.053 -13.707 1.00 4.15 O ATOM 560 CG2 THR A 38 -18.082 9.661 -13.565 1.00 21.33 C ATOM 0 H THR A 38 -15.468 9.156 -11.451 1.00 63.03 H new ATOM 0 HA THR A 38 -18.338 8.568 -11.093 1.00 70.43 H new ATOM 0 HB THR A 38 -18.263 7.549 -13.348 1.00 44.25 H new ATOM 0 HG1 THR A 38 -16.109 8.728 -14.395 1.00 4.15 H new ATOM 0 HG21 THR A 38 -18.187 9.638 -14.650 1.00 21.33 H new ATOM 0 HG22 THR A 38 -19.054 9.850 -13.110 1.00 21.33 H new ATOM 0 HG23 THR A 38 -17.390 10.455 -13.284 1.00 21.33 H new ATOM 568 N ARG A 39 -17.892 5.994 -11.059 1.00 42.25 N ATOM 569 CA ARG A 39 -17.581 4.608 -10.739 1.00 34.55 C ATOM 570 C ARG A 39 -16.621 4.034 -11.775 1.00 34.42 C ATOM 571 O ARG A 39 -15.799 3.166 -11.474 1.00 52.31 O ATOM 572 CB ARG A 39 -18.861 3.769 -10.661 1.00 42.34 C ATOM 573 CG ARG A 39 -18.597 2.276 -10.679 1.00 41.44 C ATOM 574 CD ARG A 39 -19.858 1.461 -10.475 1.00 15.34 C ATOM 575 NE ARG A 39 -19.564 0.035 -10.550 1.00 55.30 N ATOM 576 CZ ARG A 39 -20.059 -0.877 -9.720 1.00 63.24 C ATOM 577 NH1 ARG A 39 -20.882 -0.516 -8.740 1.00 54.21 N ATOM 578 NH2 ARG A 39 -19.716 -2.151 -9.867 1.00 61.23 N ATOM 0 H ARG A 39 -18.880 6.175 -11.237 1.00 42.25 H new ATOM 0 HA ARG A 39 -17.098 4.576 -9.762 1.00 34.55 H new ATOM 0 HB2 ARG A 39 -19.401 4.025 -9.749 1.00 42.34 H new ATOM 0 HB3 ARG A 39 -19.509 4.027 -11.499 1.00 42.34 H new ATOM 0 HG2 ARG A 39 -18.141 2.002 -11.631 1.00 41.44 H new ATOM 0 HG3 ARG A 39 -17.878 2.028 -9.898 1.00 41.44 H new ATOM 0 HD2 ARG A 39 -20.297 1.697 -9.506 1.00 15.34 H new ATOM 0 HD3 ARG A 39 -20.596 1.726 -11.232 1.00 15.34 H new ATOM 0 HE ARG A 39 -18.937 -0.284 -11.289 1.00 55.30 H new ATOM 0 HH11 ARG A 39 -21.136 0.465 -8.623 1.00 54.21 H new ATOM 0 HH12 ARG A 39 -21.259 -1.220 -8.106 1.00 54.21 H new ATOM 0 HH21 ARG A 39 -19.077 -2.424 -10.613 1.00 61.23 H new ATOM 0 HH22 ARG A 39 -20.092 -2.857 -9.234 1.00 61.23 H new ATOM 592 N GLU A 40 -16.716 4.557 -12.987 1.00 23.40 N ATOM 593 CA GLU A 40 -15.833 4.161 -14.068 1.00 20.24 C ATOM 594 C GLU A 40 -14.386 4.484 -13.718 1.00 22.42 C ATOM 595 O GLU A 40 -13.494 3.658 -13.898 1.00 73.31 O ATOM 596 CB GLU A 40 -16.234 4.880 -15.346 1.00 31.51 C ATOM 597 CG GLU A 40 -17.684 4.645 -15.728 1.00 12.21 C ATOM 598 CD GLU A 40 -18.082 5.352 -17.003 1.00 12.41 C ATOM 599 OE1 GLU A 40 -18.219 6.590 -16.984 1.00 4.30 O ATOM 600 OE2 GLU A 40 -18.274 4.672 -18.032 1.00 74.25 O ATOM 0 H GLU A 40 -17.404 5.264 -13.247 1.00 23.40 H new ATOM 0 HA GLU A 40 -15.920 3.085 -14.219 1.00 20.24 H new ATOM 0 HB2 GLU A 40 -16.065 5.950 -15.223 1.00 31.51 H new ATOM 0 HB3 GLU A 40 -15.591 4.547 -16.161 1.00 31.51 H new ATOM 0 HG2 GLU A 40 -17.854 3.575 -15.845 1.00 12.21 H new ATOM 0 HG3 GLU A 40 -18.327 4.983 -14.916 1.00 12.21 H new ATOM 607 N GLU A 41 -14.173 5.692 -13.203 1.00 14.31 N ATOM 608 CA GLU A 41 -12.858 6.120 -12.729 1.00 51.40 C ATOM 609 C GLU A 41 -12.346 5.174 -11.647 1.00 73.21 C ATOM 610 O GLU A 41 -11.148 4.924 -11.538 1.00 42.45 O ATOM 611 CB GLU A 41 -12.940 7.543 -12.163 1.00 71.13 C ATOM 612 CG GLU A 41 -13.238 8.609 -13.200 1.00 45.14 C ATOM 613 CD GLU A 41 -12.131 8.753 -14.221 1.00 54.22 C ATOM 614 OE1 GLU A 41 -11.096 9.372 -13.896 1.00 25.02 O ATOM 615 OE2 GLU A 41 -12.297 8.265 -15.357 1.00 33.40 O ATOM 0 H GLU A 41 -14.902 6.399 -13.102 1.00 14.31 H new ATOM 0 HA GLU A 41 -12.168 6.103 -13.572 1.00 51.40 H new ATOM 0 HB2 GLU A 41 -13.713 7.573 -11.395 1.00 71.13 H new ATOM 0 HB3 GLU A 41 -11.996 7.782 -11.674 1.00 71.13 H new ATOM 0 HG2 GLU A 41 -14.169 8.363 -13.711 1.00 45.14 H new ATOM 0 HG3 GLU A 41 -13.392 9.565 -12.699 1.00 45.14 H new ATOM 622 N ALA A 42 -13.274 4.637 -10.872 1.00 1.52 N ATOM 623 CA ALA A 42 -12.930 3.808 -9.725 1.00 43.03 C ATOM 624 C ALA A 42 -12.483 2.413 -10.151 1.00 51.40 C ATOM 625 O ALA A 42 -11.403 1.954 -9.776 1.00 51.35 O ATOM 626 CB ALA A 42 -14.106 3.717 -8.764 1.00 3.42 C ATOM 0 H ALA A 42 -14.276 4.760 -11.016 1.00 1.52 H new ATOM 0 HA ALA A 42 -12.091 4.282 -9.215 1.00 43.03 H new ATOM 0 HB1 ALA A 42 -13.833 3.094 -7.912 1.00 3.42 H new ATOM 0 HB2 ALA A 42 -14.368 4.715 -8.414 1.00 3.42 H new ATOM 0 HB3 ALA A 42 -14.961 3.276 -9.276 1.00 3.42 H new ATOM 632 N GLU A 43 -13.311 1.749 -10.949 1.00 1.45 N ATOM 633 CA GLU A 43 -13.033 0.378 -11.368 1.00 34.13 C ATOM 634 C GLU A 43 -11.838 0.318 -12.320 1.00 4.43 C ATOM 635 O GLU A 43 -11.197 -0.722 -12.462 1.00 50.52 O ATOM 636 CB GLU A 43 -14.277 -0.247 -12.012 1.00 2.43 C ATOM 637 CG GLU A 43 -15.477 -0.279 -11.079 1.00 23.34 C ATOM 638 CD GLU A 43 -16.646 -1.069 -11.633 1.00 25.34 C ATOM 639 OE1 GLU A 43 -17.487 -0.484 -12.349 1.00 21.21 O ATOM 640 OE2 GLU A 43 -16.743 -2.277 -11.343 1.00 10.20 O ATOM 0 H GLU A 43 -14.179 2.136 -11.319 1.00 1.45 H new ATOM 0 HA GLU A 43 -12.775 -0.200 -10.481 1.00 34.13 H new ATOM 0 HB2 GLU A 43 -14.536 0.315 -12.909 1.00 2.43 H new ATOM 0 HB3 GLU A 43 -14.043 -1.263 -12.329 1.00 2.43 H new ATOM 0 HG2 GLU A 43 -15.175 -0.711 -10.125 1.00 23.34 H new ATOM 0 HG3 GLU A 43 -15.800 0.743 -10.879 1.00 23.34 H new ATOM 647 N SER A 44 -11.525 1.445 -12.950 1.00 50.13 N ATOM 648 CA SER A 44 -10.368 1.533 -13.834 1.00 72.32 C ATOM 649 C SER A 44 -9.088 1.689 -13.024 1.00 1.13 C ATOM 650 O SER A 44 -8.015 1.275 -13.458 1.00 41.54 O ATOM 651 CB SER A 44 -10.522 2.703 -14.807 1.00 71.32 C ATOM 652 OG SER A 44 -11.718 2.585 -15.559 1.00 23.15 O ATOM 0 H SER A 44 -12.057 2.311 -12.865 1.00 50.13 H new ATOM 0 HA SER A 44 -10.307 0.609 -14.409 1.00 72.32 H new ATOM 0 HB2 SER A 44 -10.527 3.642 -14.254 1.00 71.32 H new ATOM 0 HB3 SER A 44 -9.666 2.735 -15.481 1.00 71.32 H new ATOM 0 HG SER A 44 -12.424 3.117 -15.136 1.00 23.15 H new ATOM 658 N PHE A 45 -9.202 2.277 -11.841 1.00 10.22 N ATOM 659 CA PHE A 45 -8.043 2.475 -10.988 1.00 2.41 C ATOM 660 C PHE A 45 -7.633 1.142 -10.370 1.00 42.14 C ATOM 661 O PHE A 45 -6.469 0.922 -10.041 1.00 24.23 O ATOM 662 CB PHE A 45 -8.352 3.506 -9.899 1.00 25.40 C ATOM 663 CG PHE A 45 -7.130 4.107 -9.265 1.00 23.13 C ATOM 664 CD1 PHE A 45 -6.371 5.038 -9.954 1.00 74.44 C ATOM 665 CD2 PHE A 45 -6.746 3.752 -7.985 1.00 53.12 C ATOM 666 CE1 PHE A 45 -5.251 5.603 -9.377 1.00 1.21 C ATOM 667 CE2 PHE A 45 -5.624 4.311 -7.402 1.00 51.22 C ATOM 668 CZ PHE A 45 -4.876 5.237 -8.099 1.00 41.34 C ATOM 0 H PHE A 45 -10.080 2.623 -11.454 1.00 10.22 H new ATOM 0 HA PHE A 45 -7.216 2.856 -11.587 1.00 2.41 H new ATOM 0 HB2 PHE A 45 -8.956 4.305 -10.330 1.00 25.40 H new ATOM 0 HB3 PHE A 45 -8.955 3.032 -9.125 1.00 25.40 H new ATOM 0 HD1 PHE A 45 -6.658 5.326 -10.955 1.00 74.44 H new ATOM 0 HD2 PHE A 45 -7.330 3.029 -7.434 1.00 53.12 H new ATOM 0 HE1 PHE A 45 -4.669 6.330 -9.924 1.00 1.21 H new ATOM 0 HE2 PHE A 45 -5.334 4.023 -6.402 1.00 51.22 H new ATOM 0 HZ PHE A 45 -3.999 5.675 -7.646 1.00 41.34 H new ATOM 678 N MET A 46 -8.606 0.241 -10.248 1.00 42.42 N ATOM 679 CA MET A 46 -8.366 -1.094 -9.713 1.00 74.00 C ATOM 680 C MET A 46 -7.448 -1.892 -10.639 1.00 12.52 C ATOM 681 O MET A 46 -6.682 -2.740 -10.185 1.00 54.35 O ATOM 682 CB MET A 46 -9.697 -1.834 -9.532 1.00 3.22 C ATOM 683 CG MET A 46 -9.554 -3.240 -8.968 1.00 24.44 C ATOM 684 SD MET A 46 -8.863 -3.263 -7.304 1.00 70.42 S ATOM 685 CE MET A 46 -10.107 -2.343 -6.405 1.00 24.11 C ATOM 0 H MET A 46 -9.575 0.415 -10.515 1.00 42.42 H new ATOM 0 HA MET A 46 -7.876 -0.993 -8.744 1.00 74.00 H new ATOM 0 HB2 MET A 46 -10.337 -1.252 -8.869 1.00 3.22 H new ATOM 0 HB3 MET A 46 -10.203 -1.890 -10.496 1.00 3.22 H new ATOM 0 HG2 MET A 46 -10.531 -3.722 -8.956 1.00 24.44 H new ATOM 0 HG3 MET A 46 -8.916 -3.828 -9.629 1.00 24.44 H new ATOM 0 HE1 MET A 46 -9.625 -1.723 -5.649 1.00 24.11 H new ATOM 0 HE2 MET A 46 -10.661 -1.708 -7.097 1.00 24.11 H new ATOM 0 HE3 MET A 46 -10.794 -3.037 -5.921 1.00 24.11 H new ATOM 695 N THR A 47 -7.513 -1.593 -11.930 1.00 65.00 N ATOM 696 CA THR A 47 -6.721 -2.297 -12.930 1.00 52.43 C ATOM 697 C THR A 47 -5.233 -2.223 -12.607 1.00 31.13 C ATOM 698 O THR A 47 -4.538 -3.237 -12.584 1.00 3.13 O ATOM 699 CB THR A 47 -6.957 -1.691 -14.321 1.00 24.03 C ATOM 700 OG1 THR A 47 -8.345 -1.377 -14.477 1.00 34.04 O ATOM 701 CG2 THR A 47 -6.529 -2.648 -15.421 1.00 60.35 C ATOM 0 H THR A 47 -8.112 -0.861 -12.312 1.00 65.00 H new ATOM 0 HA THR A 47 -7.035 -3.341 -12.921 1.00 52.43 H new ATOM 0 HB THR A 47 -6.356 -0.785 -14.403 1.00 24.03 H new ATOM 0 HG1 THR A 47 -8.500 -0.444 -14.221 1.00 34.04 H new ATOM 0 HG21 THR A 47 -6.709 -2.189 -16.393 1.00 60.35 H new ATOM 0 HG22 THR A 47 -5.467 -2.871 -15.316 1.00 60.35 H new ATOM 0 HG23 THR A 47 -7.103 -3.571 -15.344 1.00 60.35 H new ATOM 709 N LYS A 48 -4.755 -1.019 -12.344 1.00 74.43 N ATOM 710 CA LYS A 48 -3.350 -0.828 -12.017 1.00 35.31 C ATOM 711 C LYS A 48 -3.047 -1.325 -10.603 1.00 34.24 C ATOM 712 O LYS A 48 -1.921 -1.713 -10.300 1.00 32.50 O ATOM 713 CB LYS A 48 -2.938 0.627 -12.205 1.00 34.33 C ATOM 714 CG LYS A 48 -3.669 1.606 -11.320 1.00 12.23 C ATOM 715 CD LYS A 48 -3.316 3.032 -11.689 1.00 33.34 C ATOM 716 CE LYS A 48 -1.811 3.241 -11.765 1.00 11.01 C ATOM 717 NZ LYS A 48 -1.462 4.568 -12.337 1.00 54.14 N ATOM 0 H LYS A 48 -5.312 -0.165 -12.350 1.00 74.43 H new ATOM 0 HA LYS A 48 -2.755 -1.425 -12.708 1.00 35.31 H new ATOM 0 HB2 LYS A 48 -1.868 0.715 -12.016 1.00 34.33 H new ATOM 0 HB3 LYS A 48 -3.102 0.906 -13.246 1.00 34.33 H new ATOM 0 HG2 LYS A 48 -4.744 1.457 -11.415 1.00 12.23 H new ATOM 0 HG3 LYS A 48 -3.413 1.421 -10.277 1.00 12.23 H new ATOM 0 HD2 LYS A 48 -3.766 3.281 -12.650 1.00 33.34 H new ATOM 0 HD3 LYS A 48 -3.741 3.714 -10.952 1.00 33.34 H new ATOM 0 HE2 LYS A 48 -1.382 3.152 -10.767 1.00 11.01 H new ATOM 0 HE3 LYS A 48 -1.366 2.455 -12.375 1.00 11.01 H new ATOM 0 HZ1 LYS A 48 -0.428 4.670 -12.371 1.00 54.14 H new ATOM 0 HZ2 LYS A 48 -1.849 4.644 -13.299 1.00 54.14 H new ATOM 0 HZ3 LYS A 48 -1.864 5.320 -11.741 1.00 54.14 H new ATOM 731 N LEU A 49 -4.058 -1.307 -9.739 1.00 74.25 N ATOM 732 CA LEU A 49 -3.924 -1.859 -8.392 1.00 53.11 C ATOM 733 C LEU A 49 -3.626 -3.355 -8.451 1.00 2.42 C ATOM 734 O LEU A 49 -2.850 -3.868 -7.645 1.00 23.21 O ATOM 735 CB LEU A 49 -5.194 -1.603 -7.572 1.00 43.35 C ATOM 736 CG LEU A 49 -5.152 -0.377 -6.653 1.00 42.43 C ATOM 737 CD1 LEU A 49 -4.180 -0.604 -5.508 1.00 42.32 C ATOM 738 CD2 LEU A 49 -4.768 0.871 -7.428 1.00 63.10 C ATOM 0 H LEU A 49 -4.978 -0.917 -9.946 1.00 74.25 H new ATOM 0 HA LEU A 49 -3.089 -1.358 -7.902 1.00 53.11 H new ATOM 0 HB2 LEU A 49 -6.033 -1.491 -8.259 1.00 43.35 H new ATOM 0 HB3 LEU A 49 -5.396 -2.484 -6.963 1.00 43.35 H new ATOM 0 HG LEU A 49 -6.151 -0.230 -6.242 1.00 42.43 H new ATOM 0 HD11 LEU A 49 -4.163 0.276 -4.865 1.00 42.32 H new ATOM 0 HD12 LEU A 49 -4.497 -1.471 -4.928 1.00 42.32 H new ATOM 0 HD13 LEU A 49 -3.182 -0.781 -5.908 1.00 42.32 H new ATOM 0 HD21 LEU A 49 -4.746 1.726 -6.753 1.00 63.10 H new ATOM 0 HD22 LEU A 49 -3.782 0.734 -7.873 1.00 63.10 H new ATOM 0 HD23 LEU A 49 -5.500 1.050 -8.216 1.00 63.10 H new ATOM 750 N LYS A 50 -4.246 -4.045 -9.407 1.00 11.04 N ATOM 751 CA LYS A 50 -3.943 -5.448 -9.670 1.00 13.02 C ATOM 752 C LYS A 50 -2.445 -5.630 -9.884 1.00 60.00 C ATOM 753 O LYS A 50 -1.810 -6.474 -9.252 1.00 25.23 O ATOM 754 CB LYS A 50 -4.681 -5.906 -10.919 1.00 3.53 C ATOM 755 CG LYS A 50 -6.182 -5.720 -10.846 1.00 61.35 C ATOM 756 CD LYS A 50 -6.775 -5.651 -12.235 1.00 11.23 C ATOM 757 CE LYS A 50 -6.689 -6.985 -12.954 1.00 14.52 C ATOM 758 NZ LYS A 50 -6.916 -6.839 -14.414 1.00 1.54 N ATOM 0 H LYS A 50 -4.965 -3.651 -10.014 1.00 11.04 H new ATOM 0 HA LYS A 50 -4.261 -6.042 -8.813 1.00 13.02 H new ATOM 0 HB2 LYS A 50 -4.298 -5.356 -11.778 1.00 3.53 H new ATOM 0 HB3 LYS A 50 -4.463 -6.960 -11.092 1.00 3.53 H new ATOM 0 HG2 LYS A 50 -6.630 -6.546 -10.293 1.00 61.35 H new ATOM 0 HG3 LYS A 50 -6.415 -4.807 -10.299 1.00 61.35 H new ATOM 0 HD2 LYS A 50 -7.818 -5.340 -12.170 1.00 11.23 H new ATOM 0 HD3 LYS A 50 -6.252 -4.891 -12.816 1.00 11.23 H new ATOM 0 HE2 LYS A 50 -5.709 -7.429 -12.781 1.00 14.52 H new ATOM 0 HE3 LYS A 50 -7.427 -7.671 -12.538 1.00 14.52 H new ATOM 0 HZ1 LYS A 50 -6.849 -7.771 -14.871 1.00 1.54 H new ATOM 0 HZ2 LYS A 50 -7.861 -6.439 -14.580 1.00 1.54 H new ATOM 0 HZ3 LYS A 50 -6.196 -6.205 -14.816 1.00 1.54 H new ATOM 772 N GLU A 51 -1.893 -4.811 -10.778 1.00 10.11 N ATOM 773 CA GLU A 51 -0.465 -4.824 -11.078 1.00 54.12 C ATOM 774 C GLU A 51 0.356 -4.642 -9.807 1.00 4.42 C ATOM 775 O GLU A 51 1.266 -5.423 -9.521 1.00 4.22 O ATOM 776 CB GLU A 51 -0.123 -3.703 -12.060 1.00 3.34 C ATOM 777 CG GLU A 51 -0.815 -3.830 -13.404 1.00 33.34 C ATOM 778 CD GLU A 51 -0.547 -2.642 -14.302 1.00 23.14 C ATOM 779 OE1 GLU A 51 0.630 -2.404 -14.648 1.00 30.15 O ATOM 780 OE2 GLU A 51 -1.508 -1.937 -14.666 1.00 1.25 O ATOM 0 H GLU A 51 -2.423 -4.122 -11.312 1.00 10.11 H new ATOM 0 HA GLU A 51 -0.223 -5.789 -11.523 1.00 54.12 H new ATOM 0 HB2 GLU A 51 -0.393 -2.746 -11.612 1.00 3.34 H new ATOM 0 HB3 GLU A 51 0.955 -3.688 -12.218 1.00 3.34 H new ATOM 0 HG2 GLU A 51 -0.478 -4.741 -13.899 1.00 33.34 H new ATOM 0 HG3 GLU A 51 -1.889 -3.931 -13.249 1.00 33.34 H new ATOM 787 N LEU A 52 0.019 -3.604 -9.050 1.00 22.11 N ATOM 788 CA LEU A 52 0.728 -3.271 -7.818 1.00 32.11 C ATOM 789 C LEU A 52 0.678 -4.422 -6.818 1.00 45.44 C ATOM 790 O LEU A 52 1.704 -4.821 -6.270 1.00 12.34 O ATOM 791 CB LEU A 52 0.131 -2.009 -7.187 1.00 41.20 C ATOM 792 CG LEU A 52 0.194 -0.751 -8.056 1.00 12.55 C ATOM 793 CD1 LEU A 52 -0.501 0.409 -7.358 1.00 70.53 C ATOM 794 CD2 LEU A 52 1.639 -0.393 -8.376 1.00 44.51 C ATOM 0 H LEU A 52 -0.750 -2.971 -9.271 1.00 22.11 H new ATOM 0 HA LEU A 52 1.771 -3.088 -8.075 1.00 32.11 H new ATOM 0 HB2 LEU A 52 -0.911 -2.206 -6.937 1.00 41.20 H new ATOM 0 HB3 LEU A 52 0.651 -1.810 -6.250 1.00 41.20 H new ATOM 0 HG LEU A 52 -0.324 -0.952 -8.994 1.00 12.55 H new ATOM 0 HD11 LEU A 52 -0.448 1.297 -7.988 1.00 70.53 H new ATOM 0 HD12 LEU A 52 -1.545 0.153 -7.179 1.00 70.53 H new ATOM 0 HD13 LEU A 52 -0.008 0.609 -6.407 1.00 70.53 H new ATOM 0 HD21 LEU A 52 1.663 0.504 -8.995 1.00 44.51 H new ATOM 0 HD22 LEU A 52 2.182 -0.209 -7.449 1.00 44.51 H new ATOM 0 HD23 LEU A 52 2.108 -1.217 -8.914 1.00 44.51 H new ATOM 806 N ALA A 53 -0.513 -4.962 -6.595 1.00 20.14 N ATOM 807 CA ALA A 53 -0.693 -6.039 -5.631 1.00 65.54 C ATOM 808 C ALA A 53 0.052 -7.297 -6.062 1.00 12.21 C ATOM 809 O ALA A 53 0.711 -7.946 -5.249 1.00 72.53 O ATOM 810 CB ALA A 53 -2.170 -6.340 -5.444 1.00 50.22 C ATOM 0 H ALA A 53 -1.369 -4.672 -7.069 1.00 20.14 H new ATOM 0 HA ALA A 53 -0.276 -5.710 -4.679 1.00 65.54 H new ATOM 0 HB1 ALA A 53 -2.288 -7.147 -4.721 1.00 50.22 H new ATOM 0 HB2 ALA A 53 -2.680 -5.448 -5.079 1.00 50.22 H new ATOM 0 HB3 ALA A 53 -2.604 -6.641 -6.398 1.00 50.22 H new ATOM 816 N ALA A 54 -0.054 -7.629 -7.344 1.00 45.33 N ATOM 817 CA ALA A 54 0.592 -8.817 -7.893 1.00 31.05 C ATOM 818 C ALA A 54 2.110 -8.705 -7.821 1.00 1.13 C ATOM 819 O ALA A 54 2.808 -9.712 -7.711 1.00 41.45 O ATOM 820 CB ALA A 54 0.150 -9.043 -9.331 1.00 54.31 C ATOM 0 H ALA A 54 -0.585 -7.088 -8.027 1.00 45.33 H new ATOM 0 HA ALA A 54 0.288 -9.672 -7.289 1.00 31.05 H new ATOM 0 HB1 ALA A 54 0.640 -9.932 -9.727 1.00 54.31 H new ATOM 0 HB2 ALA A 54 -0.931 -9.180 -9.362 1.00 54.31 H new ATOM 0 HB3 ALA A 54 0.424 -8.178 -9.936 1.00 54.31 H new ATOM 826 N ALA A 55 2.613 -7.482 -7.904 1.00 71.45 N ATOM 827 CA ALA A 55 4.047 -7.237 -7.844 1.00 31.25 C ATOM 828 C ALA A 55 4.546 -7.217 -6.404 1.00 55.13 C ATOM 829 O ALA A 55 5.594 -7.788 -6.093 1.00 62.34 O ATOM 830 CB ALA A 55 4.389 -5.928 -8.541 1.00 33.11 C ATOM 0 H ALA A 55 2.047 -6.641 -8.014 1.00 71.45 H new ATOM 0 HA ALA A 55 4.549 -8.055 -8.361 1.00 31.25 H new ATOM 0 HB1 ALA A 55 5.464 -5.758 -8.488 1.00 33.11 H new ATOM 0 HB2 ALA A 55 4.081 -5.980 -9.585 1.00 33.11 H new ATOM 0 HB3 ALA A 55 3.867 -5.107 -8.049 1.00 33.11 H new ATOM 836 N ALA A 56 3.789 -6.562 -5.532 1.00 25.22 N ATOM 837 CA ALA A 56 4.163 -6.435 -4.129 1.00 11.42 C ATOM 838 C ALA A 56 4.173 -7.789 -3.435 1.00 14.24 C ATOM 839 O ALA A 56 5.131 -8.137 -2.743 1.00 5.43 O ATOM 840 CB ALA A 56 3.222 -5.478 -3.414 1.00 64.34 C ATOM 0 H ALA A 56 2.908 -6.108 -5.774 1.00 25.22 H new ATOM 0 HA ALA A 56 5.174 -6.030 -4.087 1.00 11.42 H new ATOM 0 HB1 ALA A 56 3.515 -5.394 -2.367 1.00 64.34 H new ATOM 0 HB2 ALA A 56 3.274 -4.497 -3.885 1.00 64.34 H new ATOM 0 HB3 ALA A 56 2.202 -5.857 -3.476 1.00 64.34 H new ATOM 846 N SER A 57 3.114 -8.555 -3.632 1.00 3.53 N ATOM 847 CA SER A 57 3.015 -9.862 -3.014 1.00 33.21 C ATOM 848 C SER A 57 3.617 -10.923 -3.925 1.00 25.21 C ATOM 849 O SER A 57 3.340 -10.958 -5.127 1.00 73.03 O ATOM 850 CB SER A 57 1.555 -10.201 -2.686 1.00 33.12 C ATOM 851 OG SER A 57 0.742 -10.208 -3.849 1.00 52.43 O ATOM 0 H SER A 57 2.316 -8.295 -4.212 1.00 3.53 H new ATOM 0 HA SER A 57 3.577 -9.844 -2.080 1.00 33.21 H new ATOM 0 HB2 SER A 57 1.508 -11.177 -2.204 1.00 33.12 H new ATOM 0 HB3 SER A 57 1.164 -9.474 -1.974 1.00 33.12 H new ATOM 0 HG SER A 57 0.563 -9.286 -4.129 1.00 52.43 H new ATOM 857 N SER A 58 4.444 -11.784 -3.355 1.00 74.13 N ATOM 858 CA SER A 58 5.050 -12.876 -4.109 1.00 30.01 C ATOM 859 C SER A 58 4.042 -13.994 -4.374 1.00 40.35 C ATOM 860 O SER A 58 4.409 -15.104 -4.749 1.00 42.12 O ATOM 861 CB SER A 58 6.259 -13.418 -3.358 1.00 50.01 C ATOM 862 OG SER A 58 7.226 -12.399 -3.158 1.00 60.14 O ATOM 0 H SER A 58 4.713 -11.750 -2.372 1.00 74.13 H new ATOM 0 HA SER A 58 5.374 -12.485 -5.074 1.00 30.01 H new ATOM 0 HB2 SER A 58 5.944 -13.821 -2.395 1.00 50.01 H new ATOM 0 HB3 SER A 58 6.702 -14.241 -3.919 1.00 50.01 H new ATOM 0 HG SER A 58 7.994 -12.767 -2.673 1.00 60.14 H new ATOM 868 N ALA A 59 2.767 -13.692 -4.171 1.00 12.51 N ATOM 869 CA ALA A 59 1.699 -14.611 -4.514 1.00 51.33 C ATOM 870 C ALA A 59 1.514 -14.645 -6.025 1.00 4.30 C ATOM 871 O ALA A 59 1.108 -15.662 -6.587 1.00 1.33 O ATOM 872 CB ALA A 59 0.404 -14.202 -3.829 1.00 11.23 C ATOM 0 H ALA A 59 2.449 -12.811 -3.768 1.00 12.51 H new ATOM 0 HA ALA A 59 1.967 -15.609 -4.168 1.00 51.33 H new ATOM 0 HB1 ALA A 59 -0.387 -14.903 -4.098 1.00 11.23 H new ATOM 0 HB2 ALA A 59 0.545 -14.211 -2.748 1.00 11.23 H new ATOM 0 HB3 ALA A 59 0.124 -13.199 -4.150 1.00 11.23 H new ATOM 878 N ASP A 60 1.815 -13.506 -6.664 1.00 52.14 N ATOM 879 CA ASP A 60 1.774 -13.357 -8.126 1.00 11.35 C ATOM 880 C ASP A 60 0.348 -13.366 -8.674 1.00 41.14 C ATOM 881 O ASP A 60 -0.028 -12.476 -9.437 1.00 54.44 O ATOM 882 CB ASP A 60 2.635 -14.418 -8.823 1.00 2.12 C ATOM 883 CG ASP A 60 4.117 -14.190 -8.593 1.00 63.14 C ATOM 884 OD1 ASP A 60 4.597 -13.069 -8.867 1.00 34.03 O ATOM 885 OD2 ASP A 60 4.810 -15.121 -8.130 1.00 3.11 O ATOM 0 H ASP A 60 2.096 -12.655 -6.177 1.00 52.14 H new ATOM 0 HA ASP A 60 2.196 -12.377 -8.348 1.00 11.35 H new ATOM 0 HB2 ASP A 60 2.359 -15.407 -8.456 1.00 2.12 H new ATOM 0 HB3 ASP A 60 2.428 -14.406 -9.893 1.00 2.12 H new ATOM 890 N GLU A 61 -0.443 -14.361 -8.289 1.00 42.21 N ATOM 891 CA GLU A 61 -1.845 -14.423 -8.691 1.00 43.13 C ATOM 892 C GLU A 61 -2.614 -13.253 -8.093 1.00 42.01 C ATOM 893 O GLU A 61 -3.586 -12.767 -8.673 1.00 61.33 O ATOM 894 CB GLU A 61 -2.485 -15.737 -8.240 1.00 52.41 C ATOM 895 CG GLU A 61 -1.880 -16.977 -8.878 1.00 75.34 C ATOM 896 CD GLU A 61 -2.590 -18.245 -8.450 1.00 61.25 C ATOM 897 OE1 GLU A 61 -3.627 -18.591 -9.062 1.00 21.24 O ATOM 898 OE2 GLU A 61 -2.122 -18.904 -7.503 1.00 64.21 O ATOM 0 H GLU A 61 -0.139 -15.136 -7.699 1.00 42.21 H new ATOM 0 HA GLU A 61 -1.887 -14.369 -9.779 1.00 43.13 H new ATOM 0 HB2 GLU A 61 -2.395 -15.819 -7.157 1.00 52.41 H new ATOM 0 HB3 GLU A 61 -3.550 -15.707 -8.470 1.00 52.41 H new ATOM 0 HG2 GLU A 61 -1.927 -16.885 -9.963 1.00 75.34 H new ATOM 0 HG3 GLU A 61 -0.826 -17.044 -8.609 1.00 75.34 H new ATOM 905 N GLY A 62 -2.166 -12.811 -6.928 1.00 11.03 N ATOM 906 CA GLY A 62 -2.798 -11.700 -6.255 1.00 55.52 C ATOM 907 C GLY A 62 -3.073 -12.012 -4.804 1.00 51.44 C ATOM 908 O GLY A 62 -2.968 -13.163 -4.383 1.00 21.22 O ATOM 0 H GLY A 62 -1.367 -13.208 -6.434 1.00 11.03 H new ATOM 0 HA2 GLY A 62 -2.158 -10.821 -6.323 1.00 55.52 H new ATOM 0 HA3 GLY A 62 -3.733 -11.453 -6.758 1.00 55.52 H new ATOM 912 N ALA A 63 -3.404 -10.989 -4.036 1.00 45.45 N ATOM 913 CA ALA A 63 -3.747 -11.170 -2.637 1.00 2.32 C ATOM 914 C ALA A 63 -5.244 -11.394 -2.492 1.00 65.33 C ATOM 915 O ALA A 63 -5.993 -11.261 -3.461 1.00 4.33 O ATOM 916 CB ALA A 63 -3.310 -9.962 -1.820 1.00 42.44 C ATOM 0 H ALA A 63 -3.442 -10.022 -4.359 1.00 45.45 H new ATOM 0 HA ALA A 63 -3.222 -12.047 -2.259 1.00 2.32 H new ATOM 0 HB1 ALA A 63 -3.575 -10.115 -0.774 1.00 42.44 H new ATOM 0 HB2 ALA A 63 -2.231 -9.836 -1.906 1.00 42.44 H new ATOM 0 HB3 ALA A 63 -3.811 -9.069 -2.194 1.00 42.44 H new ATOM 922 N SER A 64 -5.678 -11.742 -1.293 1.00 1.21 N ATOM 923 CA SER A 64 -7.094 -11.902 -1.019 1.00 22.34 C ATOM 924 C SER A 64 -7.766 -10.539 -0.926 1.00 33.45 C ATOM 925 O SER A 64 -7.813 -9.929 0.139 1.00 70.43 O ATOM 926 CB SER A 64 -7.295 -12.688 0.272 1.00 1.21 C ATOM 927 OG SER A 64 -6.768 -14.001 0.155 1.00 41.50 O ATOM 0 H SER A 64 -5.069 -11.919 -0.494 1.00 1.21 H new ATOM 0 HA SER A 64 -7.552 -12.459 -1.836 1.00 22.34 H new ATOM 0 HB2 SER A 64 -6.808 -12.169 1.098 1.00 1.21 H new ATOM 0 HB3 SER A 64 -8.358 -12.739 0.510 1.00 1.21 H new ATOM 0 HG SER A 64 -6.907 -14.485 0.996 1.00 41.50 H new ATOM 933 N VAL A 65 -8.247 -10.051 -2.056 1.00 14.13 N ATOM 934 CA VAL A 65 -8.815 -8.721 -2.118 1.00 53.20 C ATOM 935 C VAL A 65 -10.340 -8.755 -2.107 1.00 51.04 C ATOM 936 O VAL A 65 -10.980 -9.304 -3.004 1.00 33.42 O ATOM 937 CB VAL A 65 -8.309 -7.944 -3.360 1.00 42.23 C ATOM 938 CG1 VAL A 65 -8.504 -8.750 -4.637 1.00 2.45 C ATOM 939 CG2 VAL A 65 -9.002 -6.591 -3.469 1.00 13.41 C ATOM 0 H VAL A 65 -8.254 -10.558 -2.941 1.00 14.13 H new ATOM 0 HA VAL A 65 -8.480 -8.197 -1.223 1.00 53.20 H new ATOM 0 HB VAL A 65 -7.240 -7.776 -3.232 1.00 42.23 H new ATOM 0 HG11 VAL A 65 -8.139 -8.176 -5.489 1.00 2.45 H new ATOM 0 HG12 VAL A 65 -7.949 -9.686 -4.565 1.00 2.45 H new ATOM 0 HG13 VAL A 65 -9.564 -8.966 -4.773 1.00 2.45 H new ATOM 0 HG21 VAL A 65 -8.632 -6.062 -4.348 1.00 13.41 H new ATOM 0 HG22 VAL A 65 -10.078 -6.740 -3.561 1.00 13.41 H new ATOM 0 HG23 VAL A 65 -8.792 -6.002 -2.576 1.00 13.41 H new ATOM 949 N ALA A 66 -10.907 -8.184 -1.060 1.00 43.43 N ATOM 950 CA ALA A 66 -12.336 -7.959 -0.995 1.00 30.34 C ATOM 951 C ALA A 66 -12.617 -6.510 -1.352 1.00 41.14 C ATOM 952 O ALA A 66 -12.488 -5.615 -0.514 1.00 31.32 O ATOM 953 CB ALA A 66 -12.872 -8.294 0.390 1.00 0.33 C ATOM 0 H ALA A 66 -10.393 -7.866 -0.238 1.00 43.43 H new ATOM 0 HA ALA A 66 -12.843 -8.612 -1.705 1.00 30.34 H new ATOM 0 HB1 ALA A 66 -13.947 -8.118 0.416 1.00 0.33 H new ATOM 0 HB2 ALA A 66 -12.670 -9.341 0.615 1.00 0.33 H new ATOM 0 HB3 ALA A 66 -12.383 -7.663 1.132 1.00 0.33 H new ATOM 959 N TYR A 67 -12.960 -6.273 -2.605 1.00 23.20 N ATOM 960 CA TYR A 67 -13.123 -4.917 -3.096 1.00 2.14 C ATOM 961 C TYR A 67 -14.591 -4.583 -3.299 1.00 52.43 C ATOM 962 O TYR A 67 -15.415 -5.466 -3.540 1.00 21.31 O ATOM 963 CB TYR A 67 -12.349 -4.724 -4.407 1.00 65.22 C ATOM 964 CG TYR A 67 -12.870 -5.544 -5.570 1.00 74.31 C ATOM 965 CD1 TYR A 67 -12.573 -6.897 -5.686 1.00 22.32 C ATOM 966 CD2 TYR A 67 -13.656 -4.960 -6.556 1.00 4.04 C ATOM 967 CE1 TYR A 67 -13.042 -7.642 -6.752 1.00 45.11 C ATOM 968 CE2 TYR A 67 -14.129 -5.699 -7.623 1.00 11.02 C ATOM 969 CZ TYR A 67 -13.821 -7.039 -7.715 1.00 74.23 C ATOM 970 OH TYR A 67 -14.292 -7.782 -8.776 1.00 33.01 O ATOM 0 H TYR A 67 -13.131 -7.000 -3.300 1.00 23.20 H new ATOM 0 HA TYR A 67 -12.719 -4.237 -2.346 1.00 2.14 H new ATOM 0 HB2 TYR A 67 -12.379 -3.669 -4.680 1.00 65.22 H new ATOM 0 HB3 TYR A 67 -11.303 -4.980 -4.238 1.00 65.22 H new ATOM 0 HD1 TYR A 67 -11.966 -7.374 -4.931 1.00 22.32 H new ATOM 0 HD2 TYR A 67 -13.901 -3.910 -6.487 1.00 4.04 H new ATOM 0 HE1 TYR A 67 -12.799 -8.691 -6.829 1.00 45.11 H new ATOM 0 HE2 TYR A 67 -14.737 -5.229 -8.381 1.00 11.02 H new ATOM 0 HH TYR A 67 -14.826 -7.209 -9.365 1.00 33.01 H new ATOM 980 N LYS A 68 -14.906 -3.306 -3.194 1.00 22.41 N ATOM 981 CA LYS A 68 -16.256 -2.827 -3.398 1.00 42.15 C ATOM 982 C LYS A 68 -16.222 -1.459 -4.064 1.00 45.44 C ATOM 983 O LYS A 68 -15.280 -0.686 -3.875 1.00 32.44 O ATOM 984 CB LYS A 68 -17.000 -2.733 -2.062 1.00 22.23 C ATOM 985 CG LYS A 68 -16.504 -1.607 -1.164 1.00 41.05 C ATOM 986 CD LYS A 68 -17.124 -1.673 0.223 1.00 75.03 C ATOM 987 CE LYS A 68 -16.628 -2.878 1.007 1.00 31.23 C ATOM 988 NZ LYS A 68 -15.905 -2.470 2.241 1.00 3.02 N ATOM 0 H LYS A 68 -14.233 -2.574 -2.965 1.00 22.41 H new ATOM 0 HA LYS A 68 -16.782 -3.532 -4.042 1.00 42.15 H new ATOM 0 HB2 LYS A 68 -18.063 -2.589 -2.257 1.00 22.23 H new ATOM 0 HB3 LYS A 68 -16.899 -3.680 -1.532 1.00 22.23 H new ATOM 0 HG2 LYS A 68 -15.419 -1.661 -1.079 1.00 41.05 H new ATOM 0 HG3 LYS A 68 -16.740 -0.647 -1.622 1.00 41.05 H new ATOM 0 HD2 LYS A 68 -16.887 -0.761 0.771 1.00 75.03 H new ATOM 0 HD3 LYS A 68 -18.209 -1.719 0.134 1.00 75.03 H new ATOM 0 HE2 LYS A 68 -17.473 -3.512 1.273 1.00 31.23 H new ATOM 0 HE3 LYS A 68 -15.967 -3.475 0.378 1.00 31.23 H new ATOM 0 HZ1 LYS A 68 -16.009 -3.209 2.965 1.00 3.02 H new ATOM 0 HZ2 LYS A 68 -14.896 -2.337 2.025 1.00 3.02 H new ATOM 0 HZ3 LYS A 68 -16.303 -1.578 2.598 1.00 3.02 H new ATOM 1002 N ILE A 69 -17.233 -1.182 -4.859 1.00 32.32 N ATOM 1003 CA ILE A 69 -17.385 0.121 -5.480 1.00 32.01 C ATOM 1004 C ILE A 69 -18.703 0.723 -5.030 1.00 23.32 C ATOM 1005 O ILE A 69 -19.772 0.247 -5.406 1.00 42.11 O ATOM 1006 CB ILE A 69 -17.361 0.067 -7.028 1.00 13.43 C ATOM 1007 CG1 ILE A 69 -16.145 -0.712 -7.547 1.00 33.44 C ATOM 1008 CG2 ILE A 69 -17.355 1.477 -7.595 1.00 63.54 C ATOM 1009 CD1 ILE A 69 -16.343 -2.216 -7.594 1.00 70.10 C ATOM 0 H ILE A 69 -17.970 -1.847 -5.094 1.00 32.32 H new ATOM 0 HA ILE A 69 -16.536 0.729 -5.168 1.00 32.01 H new ATOM 0 HB ILE A 69 -18.258 -0.456 -7.359 1.00 13.43 H new ATOM 0 HG12 ILE A 69 -15.901 -0.358 -8.548 1.00 33.44 H new ATOM 0 HG13 ILE A 69 -15.287 -0.489 -6.912 1.00 33.44 H new ATOM 0 HG21 ILE A 69 -17.338 1.431 -8.684 1.00 63.54 H new ATOM 0 HG22 ILE A 69 -18.251 2.005 -7.268 1.00 63.54 H new ATOM 0 HG23 ILE A 69 -16.472 2.008 -7.240 1.00 63.54 H new ATOM 0 HD11 ILE A 69 -15.437 -2.691 -7.972 1.00 70.10 H new ATOM 0 HD12 ILE A 69 -16.555 -2.587 -6.591 1.00 70.10 H new ATOM 0 HD13 ILE A 69 -17.179 -2.453 -8.253 1.00 70.10 H new ATOM 1021 N LYS A 70 -18.630 1.749 -4.207 1.00 53.43 N ATOM 1022 CA LYS A 70 -19.822 2.317 -3.615 1.00 1.34 C ATOM 1023 C LYS A 70 -20.298 3.523 -4.400 1.00 13.44 C ATOM 1024 O LYS A 70 -19.584 4.517 -4.545 1.00 15.43 O ATOM 1025 CB LYS A 70 -19.563 2.693 -2.161 1.00 31.44 C ATOM 1026 CG LYS A 70 -20.816 3.057 -1.384 1.00 32.22 C ATOM 1027 CD LYS A 70 -21.791 1.892 -1.337 1.00 3.51 C ATOM 1028 CE LYS A 70 -22.998 2.201 -0.471 1.00 13.21 C ATOM 1029 NZ LYS A 70 -22.619 2.423 0.947 1.00 3.31 N ATOM 0 H LYS A 70 -17.760 2.205 -3.934 1.00 53.43 H new ATOM 0 HA LYS A 70 -20.609 1.564 -3.646 1.00 1.34 H new ATOM 0 HB2 LYS A 70 -19.069 1.859 -1.663 1.00 31.44 H new ATOM 0 HB3 LYS A 70 -18.872 3.536 -2.132 1.00 31.44 H new ATOM 0 HG2 LYS A 70 -20.546 3.350 -0.369 1.00 32.22 H new ATOM 0 HG3 LYS A 70 -21.297 3.919 -1.847 1.00 32.22 H new ATOM 0 HD2 LYS A 70 -22.121 1.653 -2.348 1.00 3.51 H new ATOM 0 HD3 LYS A 70 -21.283 1.008 -0.950 1.00 3.51 H new ATOM 0 HE2 LYS A 70 -23.503 3.087 -0.855 1.00 13.21 H new ATOM 0 HE3 LYS A 70 -23.709 1.377 -0.532 1.00 13.21 H new ATOM 0 HZ1 LYS A 70 -23.467 2.361 1.547 1.00 3.31 H new ATOM 0 HZ2 LYS A 70 -21.934 1.698 1.241 1.00 3.31 H new ATOM 0 HZ3 LYS A 70 -22.191 3.365 1.048 1.00 3.31 H new ATOM 1043 N ASP A 71 -21.507 3.412 -4.906 1.00 71.31 N ATOM 1044 CA ASP A 71 -22.135 4.475 -5.667 1.00 71.44 C ATOM 1045 C ASP A 71 -22.626 5.568 -4.718 1.00 24.21 C ATOM 1046 O ASP A 71 -23.622 5.388 -4.013 1.00 34.32 O ATOM 1047 CB ASP A 71 -23.310 3.916 -6.474 1.00 2.25 C ATOM 1048 CG ASP A 71 -22.889 2.953 -7.573 1.00 30.11 C ATOM 1049 OD1 ASP A 71 -22.554 1.790 -7.262 1.00 4.02 O ATOM 1050 OD2 ASP A 71 -22.928 3.344 -8.756 1.00 73.02 O ATOM 0 H ASP A 71 -22.086 2.579 -4.802 1.00 71.31 H new ATOM 0 HA ASP A 71 -21.405 4.901 -6.355 1.00 71.44 H new ATOM 0 HB2 ASP A 71 -23.995 3.405 -5.797 1.00 2.25 H new ATOM 0 HB3 ASP A 71 -23.861 4.744 -6.919 1.00 2.25 H new ATOM 1055 N LEU A 72 -21.915 6.690 -4.685 1.00 52.44 N ATOM 1056 CA LEU A 72 -22.246 7.771 -3.762 1.00 53.30 C ATOM 1057 C LEU A 72 -22.874 8.948 -4.491 1.00 12.41 C ATOM 1058 O LEU A 72 -23.121 8.895 -5.695 1.00 43.52 O ATOM 1059 CB LEU A 72 -21.002 8.239 -2.999 1.00 51.33 C ATOM 1060 CG LEU A 72 -20.322 7.177 -2.136 1.00 65.43 C ATOM 1061 CD1 LEU A 72 -19.074 7.746 -1.480 1.00 62.00 C ATOM 1062 CD2 LEU A 72 -21.282 6.643 -1.081 1.00 72.33 C ATOM 0 H LEU A 72 -21.110 6.875 -5.283 1.00 52.44 H new ATOM 0 HA LEU A 72 -22.971 7.378 -3.050 1.00 53.30 H new ATOM 0 HB2 LEU A 72 -20.276 8.617 -3.719 1.00 51.33 H new ATOM 0 HB3 LEU A 72 -21.283 9.076 -2.360 1.00 51.33 H new ATOM 0 HG LEU A 72 -20.029 6.349 -2.781 1.00 65.43 H new ATOM 0 HD11 LEU A 72 -18.601 6.977 -0.869 1.00 62.00 H new ATOM 0 HD12 LEU A 72 -18.377 8.077 -2.250 1.00 62.00 H new ATOM 0 HD13 LEU A 72 -19.348 8.593 -0.850 1.00 62.00 H new ATOM 0 HD21 LEU A 72 -20.777 5.888 -0.478 1.00 72.33 H new ATOM 0 HD22 LEU A 72 -21.609 7.461 -0.439 1.00 72.33 H new ATOM 0 HD23 LEU A 72 -22.148 6.197 -1.570 1.00 72.33 H new ATOM 1074 N GLU A 73 -23.126 10.010 -3.743 1.00 24.44 N ATOM 1075 CA GLU A 73 -23.768 11.200 -4.273 1.00 73.41 C ATOM 1076 C GLU A 73 -22.724 12.206 -4.741 1.00 54.54 C ATOM 1077 O GLU A 73 -22.108 12.899 -3.931 1.00 63.04 O ATOM 1078 CB GLU A 73 -24.657 11.820 -3.198 1.00 3.24 C ATOM 1079 CG GLU A 73 -25.660 10.841 -2.609 1.00 72.13 C ATOM 1080 CD GLU A 73 -26.332 11.373 -1.365 1.00 64.32 C ATOM 1081 OE1 GLU A 73 -25.796 11.156 -0.258 1.00 51.25 O ATOM 1082 OE2 GLU A 73 -27.394 12.018 -1.486 1.00 61.23 O ATOM 0 H GLU A 73 -22.891 10.071 -2.752 1.00 24.44 H new ATOM 0 HA GLU A 73 -24.381 10.922 -5.130 1.00 73.41 H new ATOM 0 HB2 GLU A 73 -24.029 12.211 -2.398 1.00 3.24 H new ATOM 0 HB3 GLU A 73 -25.194 12.667 -3.625 1.00 3.24 H new ATOM 0 HG2 GLU A 73 -26.419 10.611 -3.357 1.00 72.13 H new ATOM 0 HG3 GLU A 73 -25.153 9.906 -2.371 1.00 72.13 H new ATOM 1089 N GLY A 74 -22.502 12.249 -6.045 1.00 4.44 N ATOM 1090 CA GLY A 74 -21.557 13.193 -6.612 1.00 51.41 C ATOM 1091 C GLY A 74 -20.167 12.609 -6.749 1.00 41.44 C ATOM 1092 O GLY A 74 -19.277 13.230 -7.334 1.00 3.24 O ATOM 0 H GLY A 74 -22.961 11.644 -6.726 1.00 4.44 H new ATOM 0 HA2 GLY A 74 -21.911 13.513 -7.592 1.00 51.41 H new ATOM 0 HA3 GLY A 74 -21.514 14.082 -5.983 1.00 51.41 H new ATOM 1096 N GLN A 75 -19.982 11.412 -6.213 1.00 45.11 N ATOM 1097 CA GLN A 75 -18.699 10.730 -6.259 1.00 40.21 C ATOM 1098 C GLN A 75 -18.912 9.245 -6.023 1.00 35.32 C ATOM 1099 O GLN A 75 -20.040 8.809 -5.809 1.00 64.14 O ATOM 1100 CB GLN A 75 -17.741 11.301 -5.203 1.00 2.33 C ATOM 1101 CG GLN A 75 -18.282 11.245 -3.778 1.00 4.44 C ATOM 1102 CD GLN A 75 -17.302 11.797 -2.759 1.00 5.32 C ATOM 1103 OE1 GLN A 75 -16.496 12.678 -3.062 1.00 32.14 O ATOM 1104 NE2 GLN A 75 -17.378 11.299 -1.536 1.00 71.31 N ATOM 0 H GLN A 75 -20.715 10.888 -5.735 1.00 45.11 H new ATOM 0 HA GLN A 75 -18.251 10.884 -7.241 1.00 40.21 H new ATOM 0 HB2 GLN A 75 -16.801 10.751 -5.245 1.00 2.33 H new ATOM 0 HB3 GLN A 75 -17.516 12.337 -5.454 1.00 2.33 H new ATOM 0 HG2 GLN A 75 -19.213 11.810 -3.724 1.00 4.44 H new ATOM 0 HG3 GLN A 75 -18.521 10.212 -3.524 1.00 4.44 H new ATOM 0 HE21 GLN A 75 -18.059 10.570 -1.324 1.00 71.31 H new ATOM 0 HE22 GLN A 75 -16.756 11.644 -0.805 1.00 71.31 H new ATOM 1113 N VAL A 76 -17.844 8.469 -6.077 1.00 74.43 N ATOM 1114 CA VAL A 76 -17.918 7.053 -5.762 1.00 32.04 C ATOM 1115 C VAL A 76 -16.806 6.674 -4.804 1.00 40.25 C ATOM 1116 O VAL A 76 -15.738 7.292 -4.801 1.00 11.22 O ATOM 1117 CB VAL A 76 -17.829 6.161 -7.017 1.00 72.11 C ATOM 1118 CG1 VAL A 76 -19.018 6.406 -7.931 1.00 0.41 C ATOM 1119 CG2 VAL A 76 -16.522 6.399 -7.754 1.00 5.04 C ATOM 0 H VAL A 76 -16.913 8.796 -6.337 1.00 74.43 H new ATOM 0 HA VAL A 76 -18.891 6.884 -5.301 1.00 32.04 H new ATOM 0 HB VAL A 76 -17.852 5.118 -6.700 1.00 72.11 H new ATOM 0 HG11 VAL A 76 -18.938 5.768 -8.811 1.00 0.41 H new ATOM 0 HG12 VAL A 76 -19.940 6.175 -7.398 1.00 0.41 H new ATOM 0 HG13 VAL A 76 -19.030 7.451 -8.240 1.00 0.41 H new ATOM 0 HG21 VAL A 76 -16.480 5.760 -8.636 1.00 5.04 H new ATOM 0 HG22 VAL A 76 -16.462 7.443 -8.060 1.00 5.04 H new ATOM 0 HG23 VAL A 76 -15.685 6.165 -7.096 1.00 5.04 H new ATOM 1129 N GLU A 77 -17.064 5.669 -3.991 1.00 4.11 N ATOM 1130 CA GLU A 77 -16.085 5.192 -3.036 1.00 62.42 C ATOM 1131 C GLU A 77 -15.501 3.873 -3.516 1.00 41.34 C ATOM 1132 O GLU A 77 -16.208 2.869 -3.618 1.00 22.13 O ATOM 1133 CB GLU A 77 -16.740 5.018 -1.662 1.00 62.23 C ATOM 1134 CG GLU A 77 -15.767 4.676 -0.545 1.00 31.21 C ATOM 1135 CD GLU A 77 -16.462 4.521 0.793 1.00 74.44 C ATOM 1136 OE1 GLU A 77 -16.821 5.550 1.406 1.00 24.51 O ATOM 1137 OE2 GLU A 77 -16.662 3.373 1.240 1.00 11.35 O ATOM 0 H GLU A 77 -17.950 5.164 -3.973 1.00 4.11 H new ATOM 0 HA GLU A 77 -15.280 5.922 -2.948 1.00 62.42 H new ATOM 0 HB2 GLU A 77 -17.264 5.938 -1.403 1.00 62.23 H new ATOM 0 HB3 GLU A 77 -17.491 4.231 -1.727 1.00 62.23 H new ATOM 0 HG2 GLU A 77 -15.245 3.751 -0.791 1.00 31.21 H new ATOM 0 HG3 GLU A 77 -15.012 5.458 -0.471 1.00 31.21 H new ATOM 1144 N LEU A 78 -14.220 3.888 -3.838 1.00 32.23 N ATOM 1145 CA LEU A 78 -13.529 2.678 -4.241 1.00 51.44 C ATOM 1146 C LEU A 78 -12.778 2.130 -3.042 1.00 21.52 C ATOM 1147 O LEU A 78 -11.845 2.762 -2.545 1.00 22.44 O ATOM 1148 CB LEU A 78 -12.569 2.965 -5.412 1.00 74.53 C ATOM 1149 CG LEU A 78 -11.974 1.741 -6.132 1.00 2.41 C ATOM 1150 CD1 LEU A 78 -10.861 1.101 -5.314 1.00 15.31 C ATOM 1151 CD2 LEU A 78 -13.062 0.725 -6.436 1.00 74.42 C ATOM 0 H LEU A 78 -13.638 4.725 -3.828 1.00 32.23 H new ATOM 0 HA LEU A 78 -14.250 1.937 -4.587 1.00 51.44 H new ATOM 0 HB2 LEU A 78 -13.100 3.568 -6.148 1.00 74.53 H new ATOM 0 HB3 LEU A 78 -11.746 3.573 -5.036 1.00 74.53 H new ATOM 0 HG LEU A 78 -11.541 2.084 -7.071 1.00 2.41 H new ATOM 0 HD11 LEU A 78 -10.463 0.240 -5.851 1.00 15.31 H new ATOM 0 HD12 LEU A 78 -10.065 1.827 -5.152 1.00 15.31 H new ATOM 0 HD13 LEU A 78 -11.257 0.777 -4.352 1.00 15.31 H new ATOM 0 HD21 LEU A 78 -12.625 -0.134 -6.945 1.00 74.42 H new ATOM 0 HD22 LEU A 78 -13.525 0.398 -5.505 1.00 74.42 H new ATOM 0 HD23 LEU A 78 -13.817 1.181 -7.076 1.00 74.42 H new ATOM 1163 N ASP A 79 -13.194 0.963 -2.578 1.00 24.53 N ATOM 1164 CA ASP A 79 -12.593 0.359 -1.396 1.00 23.51 C ATOM 1165 C ASP A 79 -12.170 -1.070 -1.694 1.00 34.02 C ATOM 1166 O ASP A 79 -12.904 -1.823 -2.329 1.00 44.24 O ATOM 1167 CB ASP A 79 -13.564 0.387 -0.209 1.00 24.21 C ATOM 1168 CG ASP A 79 -13.003 -0.301 1.024 1.00 23.35 C ATOM 1169 OD1 ASP A 79 -11.842 -0.027 1.396 1.00 1.11 O ATOM 1170 OD2 ASP A 79 -13.723 -1.123 1.632 1.00 41.43 O ATOM 0 H ASP A 79 -13.944 0.415 -2.999 1.00 24.53 H new ATOM 0 HA ASP A 79 -11.712 0.942 -1.128 1.00 23.51 H new ATOM 0 HB2 ASP A 79 -13.803 1.422 0.035 1.00 24.21 H new ATOM 0 HB3 ASP A 79 -14.497 -0.097 -0.497 1.00 24.21 H new ATOM 1175 N ALA A 80 -10.980 -1.433 -1.254 1.00 11.12 N ATOM 1176 CA ALA A 80 -10.456 -2.768 -1.481 1.00 30.44 C ATOM 1177 C ALA A 80 -9.653 -3.246 -0.280 1.00 55.12 C ATOM 1178 O ALA A 80 -8.722 -2.570 0.167 1.00 54.00 O ATOM 1179 CB ALA A 80 -9.595 -2.786 -2.736 1.00 44.12 C ATOM 0 H ALA A 80 -10.354 -0.818 -0.734 1.00 11.12 H new ATOM 0 HA ALA A 80 -11.296 -3.449 -1.620 1.00 30.44 H new ATOM 0 HB1 ALA A 80 -9.207 -3.792 -2.897 1.00 44.12 H new ATOM 0 HB2 ALA A 80 -10.197 -2.488 -3.594 1.00 44.12 H new ATOM 0 HB3 ALA A 80 -8.764 -2.091 -2.617 1.00 44.12 H new ATOM 1185 N ALA A 81 -10.029 -4.400 0.249 1.00 33.52 N ATOM 1186 CA ALA A 81 -9.313 -5.005 1.360 1.00 71.43 C ATOM 1187 C ALA A 81 -8.387 -6.103 0.859 1.00 73.34 C ATOM 1188 O ALA A 81 -8.837 -7.204 0.550 1.00 53.53 O ATOM 1189 CB ALA A 81 -10.294 -5.567 2.376 1.00 30.43 C ATOM 0 H ALA A 81 -10.832 -4.939 -0.076 1.00 33.52 H new ATOM 0 HA ALA A 81 -8.711 -4.236 1.844 1.00 71.43 H new ATOM 0 HB1 ALA A 81 -9.744 -6.017 3.202 1.00 30.43 H new ATOM 0 HB2 ALA A 81 -10.925 -4.763 2.755 1.00 30.43 H new ATOM 0 HB3 ALA A 81 -10.917 -6.324 1.900 1.00 30.43 H new ATOM 1195 N PHE A 82 -7.102 -5.794 0.759 1.00 1.12 N ATOM 1196 CA PHE A 82 -6.119 -6.768 0.302 1.00 62.53 C ATOM 1197 C PHE A 82 -5.526 -7.521 1.484 1.00 2.14 C ATOM 1198 O PHE A 82 -4.793 -6.948 2.289 1.00 52.14 O ATOM 1199 CB PHE A 82 -4.979 -6.079 -0.456 1.00 21.23 C ATOM 1200 CG PHE A 82 -5.382 -5.380 -1.722 1.00 4.01 C ATOM 1201 CD1 PHE A 82 -5.794 -4.057 -1.697 1.00 24.11 C ATOM 1202 CD2 PHE A 82 -5.320 -6.037 -2.942 1.00 33.21 C ATOM 1203 CE1 PHE A 82 -6.142 -3.405 -2.864 1.00 31.30 C ATOM 1204 CE2 PHE A 82 -5.670 -5.389 -4.111 1.00 11.35 C ATOM 1205 CZ PHE A 82 -6.079 -4.071 -4.074 1.00 1.24 C ATOM 0 H PHE A 82 -6.715 -4.878 0.988 1.00 1.12 H new ATOM 0 HA PHE A 82 -6.631 -7.463 -0.363 1.00 62.53 H new ATOM 0 HB2 PHE A 82 -4.510 -5.352 0.208 1.00 21.23 H new ATOM 0 HB3 PHE A 82 -4.222 -6.825 -0.697 1.00 21.23 H new ATOM 0 HD1 PHE A 82 -5.843 -3.530 -0.755 1.00 24.11 H new ATOM 0 HD2 PHE A 82 -4.995 -7.066 -2.979 1.00 33.21 H new ATOM 0 HE1 PHE A 82 -6.463 -2.374 -2.831 1.00 31.30 H new ATOM 0 HE2 PHE A 82 -5.624 -5.914 -5.054 1.00 11.35 H new ATOM 0 HZ PHE A 82 -6.349 -3.562 -4.987 1.00 1.24 H new ATOM 1215 N THR A 83 -5.840 -8.796 1.583 1.00 4.45 N ATOM 1216 CA THR A 83 -5.256 -9.643 2.601 1.00 0.25 C ATOM 1217 C THR A 83 -4.061 -10.391 2.025 1.00 13.43 C ATOM 1218 O THR A 83 -4.219 -11.310 1.219 1.00 42.20 O ATOM 1219 CB THR A 83 -6.287 -10.644 3.153 1.00 43.12 C ATOM 1220 OG1 THR A 83 -7.454 -9.937 3.595 1.00 65.13 O ATOM 1221 CG2 THR A 83 -5.705 -11.442 4.311 1.00 42.53 C ATOM 0 H THR A 83 -6.500 -9.270 0.967 1.00 4.45 H new ATOM 0 HA THR A 83 -4.927 -9.009 3.425 1.00 0.25 H new ATOM 0 HB THR A 83 -6.554 -11.338 2.356 1.00 43.12 H new ATOM 0 HG1 THR A 83 -8.110 -10.575 3.945 1.00 65.13 H new ATOM 0 HG21 THR A 83 -6.453 -12.142 4.683 1.00 42.53 H new ATOM 0 HG22 THR A 83 -4.830 -11.994 3.969 1.00 42.53 H new ATOM 0 HG23 THR A 83 -5.414 -10.762 5.112 1.00 42.53 H new ATOM 1229 N PHE A 84 -2.871 -9.963 2.409 1.00 43.52 N ATOM 1230 CA PHE A 84 -1.647 -10.568 1.913 1.00 44.22 C ATOM 1231 C PHE A 84 -1.266 -11.773 2.762 1.00 21.43 C ATOM 1232 O PHE A 84 -1.582 -11.825 3.950 1.00 45.40 O ATOM 1233 CB PHE A 84 -0.508 -9.545 1.915 1.00 53.32 C ATOM 1234 CG PHE A 84 -0.754 -8.354 1.028 1.00 41.41 C ATOM 1235 CD1 PHE A 84 -1.385 -7.226 1.519 1.00 40.13 C ATOM 1236 CD2 PHE A 84 -0.348 -8.366 -0.295 1.00 12.31 C ATOM 1237 CE1 PHE A 84 -1.606 -6.129 0.707 1.00 4.41 C ATOM 1238 CE2 PHE A 84 -0.564 -7.274 -1.113 1.00 31.42 C ATOM 1239 CZ PHE A 84 -1.197 -6.154 -0.612 1.00 21.25 C ATOM 0 H PHE A 84 -2.726 -9.196 3.065 1.00 43.52 H new ATOM 0 HA PHE A 84 -1.819 -10.901 0.890 1.00 44.22 H new ATOM 0 HB2 PHE A 84 -0.347 -9.198 2.936 1.00 53.32 H new ATOM 0 HB3 PHE A 84 0.411 -10.038 1.597 1.00 53.32 H new ATOM 0 HD1 PHE A 84 -1.709 -7.202 2.549 1.00 40.13 H new ATOM 0 HD2 PHE A 84 0.144 -9.241 -0.693 1.00 12.31 H new ATOM 0 HE1 PHE A 84 -2.098 -5.253 1.104 1.00 4.41 H new ATOM 0 HE2 PHE A 84 -0.238 -7.296 -2.142 1.00 31.42 H new ATOM 0 HZ PHE A 84 -1.372 -5.300 -1.250 1.00 21.25 H new ATOM 1249 N SER A 85 -0.606 -12.744 2.138 1.00 43.22 N ATOM 1250 CA SER A 85 -0.140 -13.937 2.838 1.00 54.30 C ATOM 1251 C SER A 85 0.913 -13.568 3.886 1.00 24.01 C ATOM 1252 O SER A 85 1.037 -14.218 4.927 1.00 1.32 O ATOM 1253 CB SER A 85 0.448 -14.924 1.830 1.00 61.11 C ATOM 1254 OG SER A 85 -0.419 -15.085 0.718 1.00 55.33 O ATOM 0 H SER A 85 -0.381 -12.728 1.143 1.00 43.22 H new ATOM 0 HA SER A 85 -0.985 -14.400 3.348 1.00 54.30 H new ATOM 0 HB2 SER A 85 1.420 -14.568 1.490 1.00 61.11 H new ATOM 0 HB3 SER A 85 0.612 -15.888 2.311 1.00 61.11 H new ATOM 0 HG SER A 85 -0.024 -15.719 0.084 1.00 55.33 H new ATOM 1260 N CYS A 86 1.668 -12.516 3.600 1.00 44.53 N ATOM 1261 CA CYS A 86 2.677 -12.021 4.517 1.00 12.01 C ATOM 1262 C CYS A 86 2.457 -10.536 4.766 1.00 63.25 C ATOM 1263 O CYS A 86 2.084 -9.798 3.853 1.00 73.11 O ATOM 1264 CB CYS A 86 4.074 -12.255 3.943 1.00 3.15 C ATOM 1265 SG CYS A 86 4.400 -13.969 3.462 1.00 44.32 S ATOM 0 H CYS A 86 1.597 -11.987 2.731 1.00 44.53 H new ATOM 0 HA CYS A 86 2.594 -12.560 5.461 1.00 12.01 H new ATOM 0 HB2 CYS A 86 4.209 -11.613 3.073 1.00 3.15 H new ATOM 0 HB3 CYS A 86 4.814 -11.950 4.682 1.00 3.15 H new ATOM 0 HG CYS A 86 5.606 -14.064 2.986 1.00 44.32 H new ATOM 1271 N GLN A 87 2.689 -10.098 5.993 1.00 4.31 N ATOM 1272 CA GLN A 87 2.504 -8.694 6.345 1.00 70.23 C ATOM 1273 C GLN A 87 3.524 -7.817 5.630 1.00 53.15 C ATOM 1274 O GLN A 87 3.257 -6.649 5.340 1.00 0.45 O ATOM 1275 CB GLN A 87 2.602 -8.496 7.857 1.00 74.33 C ATOM 1276 CG GLN A 87 2.598 -7.038 8.280 1.00 31.41 C ATOM 1277 CD GLN A 87 2.358 -6.872 9.759 1.00 21.11 C ATOM 1278 OE1 GLN A 87 3.296 -6.871 10.551 1.00 61.21 O ATOM 1279 NE2 GLN A 87 1.098 -6.737 10.145 1.00 60.44 N ATOM 0 H GLN A 87 3.005 -10.690 6.761 1.00 4.31 H new ATOM 0 HA GLN A 87 1.507 -8.396 6.022 1.00 70.23 H new ATOM 0 HB2 GLN A 87 1.767 -9.007 8.337 1.00 74.33 H new ATOM 0 HB3 GLN A 87 3.516 -8.968 8.219 1.00 74.33 H new ATOM 0 HG2 GLN A 87 3.552 -6.583 8.016 1.00 31.41 H new ATOM 0 HG3 GLN A 87 1.826 -6.504 7.727 1.00 31.41 H new ATOM 0 HE21 GLN A 87 0.349 -6.743 9.453 1.00 60.44 H new ATOM 0 HE22 GLN A 87 0.877 -6.627 11.135 1.00 60.44 H new ATOM 1288 N ALA A 88 4.687 -8.390 5.341 1.00 52.44 N ATOM 1289 CA ALA A 88 5.737 -7.686 4.619 1.00 34.25 C ATOM 1290 C ALA A 88 5.217 -7.154 3.289 1.00 22.01 C ATOM 1291 O ALA A 88 5.537 -6.035 2.891 1.00 21.20 O ATOM 1292 CB ALA A 88 6.927 -8.605 4.394 1.00 51.11 C ATOM 0 H ALA A 88 4.926 -9.348 5.599 1.00 52.44 H new ATOM 0 HA ALA A 88 6.058 -6.837 5.222 1.00 34.25 H new ATOM 0 HB1 ALA A 88 7.705 -8.067 3.853 1.00 51.11 H new ATOM 0 HB2 ALA A 88 7.317 -8.937 5.356 1.00 51.11 H new ATOM 0 HB3 ALA A 88 6.613 -9.471 3.811 1.00 51.11 H new ATOM 1298 N GLU A 89 4.383 -7.951 2.627 1.00 43.31 N ATOM 1299 CA GLU A 89 3.822 -7.583 1.329 1.00 41.22 C ATOM 1300 C GLU A 89 2.870 -6.398 1.480 1.00 34.13 C ATOM 1301 O GLU A 89 2.694 -5.604 0.557 1.00 32.43 O ATOM 1302 CB GLU A 89 3.056 -8.767 0.726 1.00 40.00 C ATOM 1303 CG GLU A 89 3.682 -10.129 1.001 1.00 32.43 C ATOM 1304 CD GLU A 89 4.998 -10.345 0.288 1.00 50.32 C ATOM 1305 OE1 GLU A 89 6.050 -9.929 0.822 1.00 34.13 O ATOM 1306 OE2 GLU A 89 4.994 -10.966 -0.795 1.00 31.04 O ATOM 0 H GLU A 89 4.079 -8.862 2.970 1.00 43.31 H new ATOM 0 HA GLU A 89 4.644 -7.307 0.668 1.00 41.22 H new ATOM 0 HB2 GLU A 89 2.039 -8.763 1.117 1.00 40.00 H new ATOM 0 HB3 GLU A 89 2.983 -8.625 -0.352 1.00 40.00 H new ATOM 0 HG2 GLU A 89 3.838 -10.238 2.074 1.00 32.43 H new ATOM 0 HG3 GLU A 89 2.983 -10.909 0.699 1.00 32.43 H new ATOM 1313 N MET A 90 2.261 -6.290 2.656 1.00 72.34 N ATOM 1314 CA MET A 90 1.285 -5.242 2.928 1.00 65.23 C ATOM 1315 C MET A 90 1.981 -3.903 3.148 1.00 14.31 C ATOM 1316 O MET A 90 1.620 -2.899 2.537 1.00 62.14 O ATOM 1317 CB MET A 90 0.429 -5.624 4.146 1.00 12.11 C ATOM 1318 CG MET A 90 -0.738 -4.681 4.424 1.00 13.24 C ATOM 1319 SD MET A 90 -0.264 -3.200 5.344 1.00 15.12 S ATOM 1320 CE MET A 90 0.275 -3.922 6.891 1.00 2.21 C ATOM 0 H MET A 90 2.428 -6.920 3.440 1.00 72.34 H new ATOM 0 HA MET A 90 0.629 -5.139 2.063 1.00 65.23 H new ATOM 0 HB2 MET A 90 0.038 -6.631 3.997 1.00 12.11 H new ATOM 0 HB3 MET A 90 1.069 -5.658 5.027 1.00 12.11 H new ATOM 0 HG2 MET A 90 -1.187 -4.382 3.477 1.00 13.24 H new ATOM 0 HG3 MET A 90 -1.503 -5.218 4.985 1.00 13.24 H new ATOM 0 HE1 MET A 90 0.447 -3.131 7.621 1.00 2.21 H new ATOM 0 HE2 MET A 90 -0.494 -4.599 7.264 1.00 2.21 H new ATOM 0 HE3 MET A 90 1.200 -4.476 6.731 1.00 2.21 H new ATOM 1330 N ILE A 91 2.997 -3.895 4.004 1.00 63.42 N ATOM 1331 CA ILE A 91 3.703 -2.664 4.328 1.00 20.02 C ATOM 1332 C ILE A 91 4.473 -2.105 3.129 1.00 3.43 C ATOM 1333 O ILE A 91 4.545 -0.889 2.951 1.00 70.02 O ATOM 1334 CB ILE A 91 4.654 -2.839 5.533 1.00 41.33 C ATOM 1335 CG1 ILE A 91 5.367 -4.193 5.485 1.00 15.51 C ATOM 1336 CG2 ILE A 91 3.884 -2.690 6.837 1.00 45.32 C ATOM 1337 CD1 ILE A 91 6.467 -4.338 6.517 1.00 13.40 C ATOM 0 H ILE A 91 3.348 -4.724 4.483 1.00 63.42 H new ATOM 0 HA ILE A 91 2.933 -1.943 4.603 1.00 20.02 H new ATOM 0 HB ILE A 91 5.414 -2.059 5.480 1.00 41.33 H new ATOM 0 HG12 ILE A 91 4.634 -4.985 5.634 1.00 15.51 H new ATOM 0 HG13 ILE A 91 5.792 -4.335 4.491 1.00 15.51 H new ATOM 0 HG21 ILE A 91 4.566 -2.816 7.678 1.00 45.32 H new ATOM 0 HG22 ILE A 91 3.432 -1.699 6.881 1.00 45.32 H new ATOM 0 HG23 ILE A 91 3.103 -3.448 6.887 1.00 45.32 H new ATOM 0 HD11 ILE A 91 6.927 -5.322 6.423 1.00 13.40 H new ATOM 0 HD12 ILE A 91 7.221 -3.568 6.355 1.00 13.40 H new ATOM 0 HD13 ILE A 91 6.045 -4.229 7.516 1.00 13.40 H new ATOM 1349 N ILE A 92 5.037 -2.982 2.295 1.00 5.23 N ATOM 1350 CA ILE A 92 5.735 -2.531 1.095 1.00 53.02 C ATOM 1351 C ILE A 92 4.741 -1.970 0.082 1.00 61.14 C ATOM 1352 O ILE A 92 5.067 -1.080 -0.706 1.00 33.52 O ATOM 1353 CB ILE A 92 6.572 -3.652 0.440 1.00 50.50 C ATOM 1354 CG1 ILE A 92 5.697 -4.842 0.042 1.00 34.52 C ATOM 1355 CG2 ILE A 92 7.688 -4.092 1.378 1.00 35.24 C ATOM 1356 CD1 ILE A 92 6.452 -5.940 -0.677 1.00 72.24 C ATOM 0 H ILE A 92 5.024 -3.993 2.428 1.00 5.23 H new ATOM 0 HA ILE A 92 6.425 -1.747 1.407 1.00 53.02 H new ATOM 0 HB ILE A 92 7.017 -3.253 -0.471 1.00 50.50 H new ATOM 0 HG12 ILE A 92 5.235 -5.257 0.938 1.00 34.52 H new ATOM 0 HG13 ILE A 92 4.889 -4.489 -0.599 1.00 34.52 H new ATOM 0 HG21 ILE A 92 8.271 -4.882 0.905 1.00 35.24 H new ATOM 0 HG22 ILE A 92 8.337 -3.243 1.595 1.00 35.24 H new ATOM 0 HG23 ILE A 92 7.257 -4.466 2.307 1.00 35.24 H new ATOM 0 HD11 ILE A 92 5.766 -6.749 -0.927 1.00 72.24 H new ATOM 0 HD12 ILE A 92 6.891 -5.541 -1.591 1.00 72.24 H new ATOM 0 HD13 ILE A 92 7.243 -6.321 -0.031 1.00 72.24 H new ATOM 1368 N PHE A 93 3.525 -2.500 0.119 1.00 14.33 N ATOM 1369 CA PHE A 93 2.441 -2.022 -0.728 1.00 10.34 C ATOM 1370 C PHE A 93 2.088 -0.580 -0.360 1.00 75.41 C ATOM 1371 O PHE A 93 1.975 0.280 -1.232 1.00 3.32 O ATOM 1372 CB PHE A 93 1.225 -2.943 -0.568 1.00 33.35 C ATOM 1373 CG PHE A 93 0.075 -2.643 -1.489 1.00 3.24 C ATOM 1374 CD1 PHE A 93 0.194 -2.838 -2.856 1.00 11.41 C ATOM 1375 CD2 PHE A 93 -1.135 -2.194 -0.982 1.00 30.30 C ATOM 1376 CE1 PHE A 93 -0.871 -2.587 -3.699 1.00 20.31 C ATOM 1377 CE2 PHE A 93 -2.202 -1.938 -1.823 1.00 14.43 C ATOM 1378 CZ PHE A 93 -2.070 -2.138 -3.181 1.00 63.54 C ATOM 0 H PHE A 93 3.264 -3.270 0.735 1.00 14.33 H new ATOM 0 HA PHE A 93 2.756 -2.038 -1.772 1.00 10.34 H new ATOM 0 HB2 PHE A 93 1.544 -3.972 -0.732 1.00 33.35 H new ATOM 0 HB3 PHE A 93 0.873 -2.879 0.461 1.00 33.35 H new ATOM 0 HD1 PHE A 93 1.129 -3.190 -3.266 1.00 11.41 H new ATOM 0 HD2 PHE A 93 -1.245 -2.043 0.082 1.00 30.30 H new ATOM 0 HE1 PHE A 93 -0.766 -2.742 -4.763 1.00 20.31 H new ATOM 0 HE2 PHE A 93 -3.137 -1.582 -1.417 1.00 14.43 H new ATOM 0 HZ PHE A 93 -2.904 -1.944 -3.839 1.00 63.54 H new ATOM 1388 N GLU A 94 1.956 -0.326 0.941 1.00 14.51 N ATOM 1389 CA GLU A 94 1.656 1.011 1.454 1.00 10.21 C ATOM 1390 C GLU A 94 2.696 2.028 0.993 1.00 74.42 C ATOM 1391 O GLU A 94 2.354 3.112 0.511 1.00 3.55 O ATOM 1392 CB GLU A 94 1.620 0.986 2.982 1.00 54.22 C ATOM 1393 CG GLU A 94 0.499 0.141 3.554 1.00 40.13 C ATOM 1394 CD GLU A 94 -0.863 0.698 3.207 1.00 5.00 C ATOM 1395 OE1 GLU A 94 -1.273 1.708 3.824 1.00 74.33 O ATOM 1396 OE2 GLU A 94 -1.533 0.139 2.318 1.00 41.33 O ATOM 0 H GLU A 94 2.053 -1.037 1.666 1.00 14.51 H new ATOM 0 HA GLU A 94 0.683 1.308 1.063 1.00 10.21 H new ATOM 0 HB2 GLU A 94 2.573 0.608 3.352 1.00 54.22 H new ATOM 0 HB3 GLU A 94 1.517 2.007 3.350 1.00 54.22 H new ATOM 0 HG2 GLU A 94 0.582 -0.877 3.174 1.00 40.13 H new ATOM 0 HG3 GLU A 94 0.603 0.086 4.638 1.00 40.13 H new ATOM 1403 N LEU A 95 3.966 1.661 1.141 1.00 53.04 N ATOM 1404 CA LEU A 95 5.080 2.526 0.764 1.00 21.42 C ATOM 1405 C LEU A 95 4.955 2.975 -0.690 1.00 12.12 C ATOM 1406 O LEU A 95 5.201 4.133 -1.023 1.00 70.22 O ATOM 1407 CB LEU A 95 6.411 1.784 0.951 1.00 1.42 C ATOM 1408 CG LEU A 95 6.691 1.270 2.367 1.00 71.15 C ATOM 1409 CD1 LEU A 95 7.933 0.394 2.372 1.00 10.23 C ATOM 1410 CD2 LEU A 95 6.863 2.428 3.336 1.00 53.30 C ATOM 0 H LEU A 95 4.251 0.760 1.524 1.00 53.04 H new ATOM 0 HA LEU A 95 5.055 3.405 1.408 1.00 21.42 H new ATOM 0 HB2 LEU A 95 6.433 0.937 0.266 1.00 1.42 H new ATOM 0 HB3 LEU A 95 7.222 2.451 0.659 1.00 1.42 H new ATOM 0 HG LEU A 95 5.837 0.675 2.691 1.00 71.15 H new ATOM 0 HD11 LEU A 95 8.121 0.035 3.384 1.00 10.23 H new ATOM 0 HD12 LEU A 95 7.781 -0.457 1.708 1.00 10.23 H new ATOM 0 HD13 LEU A 95 8.789 0.974 2.028 1.00 10.23 H new ATOM 0 HD21 LEU A 95 7.061 2.040 4.335 1.00 53.30 H new ATOM 0 HD22 LEU A 95 7.699 3.049 3.016 1.00 53.30 H new ATOM 0 HD23 LEU A 95 5.952 3.027 3.353 1.00 53.30 H new ATOM 1422 N SER A 96 4.538 2.051 -1.541 1.00 43.02 N ATOM 1423 CA SER A 96 4.507 2.283 -2.977 1.00 22.55 C ATOM 1424 C SER A 96 3.240 3.020 -3.410 1.00 30.44 C ATOM 1425 O SER A 96 3.208 3.631 -4.481 1.00 55.21 O ATOM 1426 CB SER A 96 4.629 0.948 -3.714 1.00 54.05 C ATOM 1427 OG SER A 96 5.777 0.236 -3.275 1.00 25.42 O ATOM 0 H SER A 96 4.214 1.126 -1.259 1.00 43.02 H new ATOM 0 HA SER A 96 5.352 2.921 -3.235 1.00 22.55 H new ATOM 0 HB2 SER A 96 3.735 0.349 -3.542 1.00 54.05 H new ATOM 0 HB3 SER A 96 4.693 1.124 -4.788 1.00 54.05 H new ATOM 0 HG SER A 96 5.580 -0.211 -2.426 1.00 25.42 H new ATOM 1433 N LEU A 97 2.204 2.966 -2.582 1.00 35.21 N ATOM 1434 CA LEU A 97 0.943 3.629 -2.899 1.00 52.04 C ATOM 1435 C LEU A 97 1.111 5.141 -2.920 1.00 32.35 C ATOM 1436 O LEU A 97 0.771 5.801 -3.904 1.00 32.21 O ATOM 1437 CB LEU A 97 -0.143 3.245 -1.895 1.00 72.53 C ATOM 1438 CG LEU A 97 -0.589 1.785 -1.946 1.00 21.22 C ATOM 1439 CD1 LEU A 97 -1.661 1.525 -0.903 1.00 24.15 C ATOM 1440 CD2 LEU A 97 -1.096 1.436 -3.336 1.00 4.40 C ATOM 0 H LEU A 97 2.211 2.472 -1.689 1.00 35.21 H new ATOM 0 HA LEU A 97 0.639 3.297 -3.892 1.00 52.04 H new ATOM 0 HB2 LEU A 97 0.220 3.462 -0.890 1.00 72.53 H new ATOM 0 HB3 LEU A 97 -1.013 3.880 -2.064 1.00 72.53 H new ATOM 0 HG LEU A 97 0.268 1.149 -1.724 1.00 21.22 H new ATOM 0 HD11 LEU A 97 -1.969 0.481 -0.951 1.00 24.15 H new ATOM 0 HD12 LEU A 97 -1.264 1.741 0.089 1.00 24.15 H new ATOM 0 HD13 LEU A 97 -2.521 2.166 -1.097 1.00 24.15 H new ATOM 0 HD21 LEU A 97 -1.410 0.393 -3.357 1.00 4.40 H new ATOM 0 HD22 LEU A 97 -1.943 2.075 -3.586 1.00 4.40 H new ATOM 0 HD23 LEU A 97 -0.299 1.590 -4.063 1.00 4.40 H new ATOM 1452 N ARG A 98 1.664 5.691 -1.847 1.00 13.50 N ATOM 1453 CA ARG A 98 1.810 7.139 -1.744 1.00 1.34 C ATOM 1454 C ARG A 98 2.956 7.636 -2.614 1.00 34.14 C ATOM 1455 O ARG A 98 2.927 8.756 -3.107 1.00 52.14 O ATOM 1456 CB ARG A 98 1.997 7.593 -0.295 1.00 13.25 C ATOM 1457 CG ARG A 98 0.753 7.397 0.555 1.00 74.44 C ATOM 1458 CD ARG A 98 0.760 8.294 1.782 1.00 43.53 C ATOM 1459 NE ARG A 98 0.641 9.713 1.432 1.00 35.44 N ATOM 1460 CZ ARG A 98 0.741 10.714 2.310 1.00 60.34 C ATOM 1461 NH1 ARG A 98 0.979 10.462 3.593 1.00 13.10 N ATOM 1462 NH2 ARG A 98 0.591 11.968 1.901 1.00 72.43 N ATOM 0 H ARG A 98 2.015 5.166 -1.046 1.00 13.50 H new ATOM 0 HA ARG A 98 0.883 7.581 -2.109 1.00 1.34 H new ATOM 0 HB2 ARG A 98 2.824 7.040 0.149 1.00 13.25 H new ATOM 0 HB3 ARG A 98 2.276 8.647 -0.284 1.00 13.25 H new ATOM 0 HG2 ARG A 98 -0.133 7.607 -0.044 1.00 74.44 H new ATOM 0 HG3 ARG A 98 0.687 6.355 0.867 1.00 74.44 H new ATOM 0 HD2 ARG A 98 -0.063 8.014 2.440 1.00 43.53 H new ATOM 0 HD3 ARG A 98 1.683 8.135 2.340 1.00 43.53 H new ATOM 0 HE ARG A 98 0.471 9.951 0.455 1.00 35.44 H new ATOM 0 HH11 ARG A 98 1.086 9.499 3.912 1.00 13.10 H new ATOM 0 HH12 ARG A 98 1.054 11.231 4.258 1.00 13.10 H new ATOM 0 HH21 ARG A 98 0.400 12.165 0.919 1.00 72.43 H new ATOM 0 HH22 ARG A 98 0.667 12.735 2.569 1.00 72.43 H new ATOM 1476 N SER A 99 3.959 6.795 -2.815 1.00 30.45 N ATOM 1477 CA SER A 99 5.103 7.161 -3.643 1.00 44.34 C ATOM 1478 C SER A 99 4.751 7.120 -5.136 1.00 55.12 C ATOM 1479 O SER A 99 5.603 7.371 -5.988 1.00 23.05 O ATOM 1480 CB SER A 99 6.278 6.225 -3.353 1.00 72.44 C ATOM 1481 OG SER A 99 6.611 6.237 -1.974 1.00 64.12 O ATOM 0 H SER A 99 4.006 5.856 -2.418 1.00 30.45 H new ATOM 0 HA SER A 99 5.385 8.184 -3.395 1.00 44.34 H new ATOM 0 HB2 SER A 99 6.024 5.211 -3.660 1.00 72.44 H new ATOM 0 HB3 SER A 99 7.143 6.529 -3.942 1.00 72.44 H new ATOM 0 HG SER A 99 6.052 5.589 -1.497 1.00 64.12 H new ATOM 1487 N LEU A 100 3.496 6.807 -5.446 1.00 64.23 N ATOM 1488 CA LEU A 100 3.054 6.707 -6.830 1.00 0.45 C ATOM 1489 C LEU A 100 2.288 7.960 -7.260 1.00 75.01 C ATOM 1490 O LEU A 100 2.600 8.570 -8.282 1.00 72.54 O ATOM 1491 CB LEU A 100 2.172 5.472 -7.012 1.00 64.01 C ATOM 1492 CG LEU A 100 1.676 5.226 -8.439 1.00 43.30 C ATOM 1493 CD1 LEU A 100 2.847 4.990 -9.381 1.00 51.44 C ATOM 1494 CD2 LEU A 100 0.718 4.044 -8.472 1.00 55.32 C ATOM 0 H LEU A 100 2.769 6.619 -4.756 1.00 64.23 H new ATOM 0 HA LEU A 100 3.939 6.616 -7.459 1.00 0.45 H new ATOM 0 HB2 LEU A 100 2.730 4.596 -6.683 1.00 64.01 H new ATOM 0 HB3 LEU A 100 1.307 5.564 -6.355 1.00 64.01 H new ATOM 0 HG LEU A 100 1.141 6.114 -8.775 1.00 43.30 H new ATOM 0 HD11 LEU A 100 2.473 4.817 -10.390 1.00 51.44 H new ATOM 0 HD12 LEU A 100 3.497 5.865 -9.380 1.00 51.44 H new ATOM 0 HD13 LEU A 100 3.411 4.118 -9.049 1.00 51.44 H new ATOM 0 HD21 LEU A 100 0.375 3.882 -9.494 1.00 55.32 H new ATOM 0 HD22 LEU A 100 1.230 3.150 -8.116 1.00 55.32 H new ATOM 0 HD23 LEU A 100 -0.138 4.251 -7.830 1.00 55.32 H new