USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 442 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 25 LYS NZ :NH3+ 160:sc= -0.11 (180deg=-0.258) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.276 X(o=0.28,f=0) USER MOD Single : A 44 SER OG : rot -170:sc= -0.373 USER MOD Single : A 58 MET CE :methyl 167:sc= -4.46! (180deg=-4.74!) USER MOD Single : A 59 THR OG1 : rot 143:sc= -1.56 USER MOD Single : A 64 THR OG1 : rot 83:sc= 0.0368 USER MOD Single : A 73 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.0088) USER MOD Single : A 74 ASN : amide:sc= -2 K(o=-2,f=-0.65) USER MOD Single : A 75 THR OG1 : rot -70:sc= 1.45 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 56:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 350 N LYS A 25 -4.791 2.731 1.260 1.00 0.00 N ATOM 351 CA LYS A 25 -3.634 3.563 0.951 1.00 0.00 C ATOM 352 C LYS A 25 -3.607 4.800 1.844 1.00 0.00 C ATOM 353 O LYS A 25 -2.545 5.356 2.117 1.00 0.00 O ATOM 354 CB LYS A 25 -3.658 3.979 -0.521 1.00 0.00 C ATOM 355 CG LYS A 25 -2.471 4.838 -0.930 1.00 0.00 C ATOM 356 CD LYS A 25 -2.909 6.050 -1.736 1.00 0.00 C ATOM 357 CE LYS A 25 -1.907 7.188 -1.620 1.00 0.00 C ATOM 358 NZ LYS A 25 -2.337 8.387 -2.391 1.00 0.00 N ATOM 0 HA LYS A 25 -2.733 2.980 1.139 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.680 3.084 -1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.579 4.528 -0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.935 5.167 -0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.775 4.241 -1.519 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.023 5.770 -2.783 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.885 6.387 -1.388 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.782 7.456 -0.571 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.934 6.854 -1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.838 9.227 -2.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.111 8.252 -3.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.363 8.521 -2.282 1.00 0.00 H new ATOM 372 N THR A 26 -4.786 5.227 2.293 1.00 0.00 N ATOM 373 CA THR A 26 -4.894 6.399 3.152 1.00 0.00 C ATOM 374 C THR A 26 -4.280 6.128 4.518 1.00 0.00 C ATOM 375 O THR A 26 -3.779 7.041 5.172 1.00 0.00 O ATOM 376 CB THR A 26 -6.348 6.844 3.290 1.00 0.00 C ATOM 377 OG1 THR A 26 -7.232 5.845 2.815 1.00 0.00 O ATOM 378 CG2 THR A 26 -6.644 8.121 2.528 1.00 0.00 C ATOM 0 H THR A 26 -5.676 4.779 2.076 1.00 0.00 H new ATOM 0 HA THR A 26 -4.336 7.210 2.684 1.00 0.00 H new ATOM 0 HB THR A 26 -6.500 7.021 4.355 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.157 6.152 2.915 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.692 8.390 2.662 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.012 8.925 2.906 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.441 7.967 1.468 1.00 0.00 H new ATOM 386 N GLN A 27 -4.291 4.871 4.937 1.00 0.00 N ATOM 387 CA GLN A 27 -3.696 4.504 6.216 1.00 0.00 C ATOM 388 C GLN A 27 -2.212 4.857 6.209 1.00 0.00 C ATOM 389 O GLN A 27 -1.601 5.067 7.257 1.00 0.00 O ATOM 390 CB GLN A 27 -3.883 3.010 6.485 1.00 0.00 C ATOM 391 CG GLN A 27 -5.207 2.670 7.149 1.00 0.00 C ATOM 392 CD GLN A 27 -5.726 1.303 6.750 1.00 0.00 C ATOM 393 OE1 GLN A 27 -6.821 1.180 6.196 1.00 0.00 O ATOM 394 NE2 GLN A 27 -4.944 0.267 7.028 1.00 0.00 N ATOM 0 H GLN A 27 -4.700 4.095 4.417 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.194 5.060 7.011 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.810 2.468 5.542 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.068 2.659 7.118 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.086 2.707 8.232 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.946 3.426 6.885 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.045 0.415 7.488 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.242 -0.677 6.782 1.00 0.00 H new ATOM 403 N LEU A 28 -1.643 4.924 5.004 1.00 0.00 N ATOM 404 CA LEU A 28 -0.235 5.257 4.823 1.00 0.00 C ATOM 405 C LEU A 28 -0.028 6.759 4.713 1.00 0.00 C ATOM 406 O LEU A 28 1.098 7.257 4.758 1.00 0.00 O ATOM 407 CB LEU A 28 0.293 4.574 3.567 1.00 0.00 C ATOM 408 CG LEU A 28 1.814 4.594 3.403 1.00 0.00 C ATOM 409 CD1 LEU A 28 2.315 3.259 2.874 1.00 0.00 C ATOM 410 CD2 LEU A 28 2.233 5.727 2.477 1.00 0.00 C ATOM 0 H LEU A 28 -2.144 4.750 4.133 1.00 0.00 H new ATOM 0 HA LEU A 28 0.312 4.904 5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.042 3.537 3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.156 5.053 2.697 1.00 0.00 H new ATOM 0 HG LEU A 28 2.263 4.763 4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.399 3.295 2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.047 2.467 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.859 3.057 1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.318 5.728 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.773 5.587 1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.909 6.679 2.897 1.00 0.00 H new ATOM 422 N ILE A 29 -1.126 7.459 4.566 1.00 0.00 N ATOM 423 CA ILE A 29 -1.121 8.917 4.442 1.00 0.00 C ATOM 424 C ILE A 29 -0.597 9.589 5.691 1.00 0.00 C ATOM 425 O ILE A 29 -0.238 10.766 5.697 1.00 0.00 O ATOM 426 CB ILE A 29 -2.527 9.449 4.131 1.00 0.00 C ATOM 427 CG1 ILE A 29 -2.990 8.948 2.768 1.00 0.00 C ATOM 428 CG2 ILE A 29 -2.571 10.973 4.198 1.00 0.00 C ATOM 429 CD1 ILE A 29 -2.369 9.666 1.598 1.00 0.00 C ATOM 0 H ILE A 29 -2.057 7.043 4.527 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.452 9.157 3.615 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.211 9.070 4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.763 7.885 2.689 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.074 9.048 2.707 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.580 11.318 3.973 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.290 11.301 5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.874 11.389 3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.753 9.247 0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.617 10.726 1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.286 9.545 1.630 1.00 0.00 H new ATOM 441 N GLU A 30 -0.553 8.811 6.725 1.00 0.00 N ATOM 442 CA GLU A 30 -0.068 9.259 8.025 1.00 0.00 C ATOM 443 C GLU A 30 1.452 9.250 8.082 1.00 0.00 C ATOM 444 O GLU A 30 2.054 9.561 9.110 1.00 0.00 O ATOM 445 CB GLU A 30 -0.655 8.405 9.150 1.00 0.00 C ATOM 446 CG GLU A 30 -0.553 9.054 10.521 1.00 0.00 C ATOM 447 CD GLU A 30 -0.418 8.039 11.638 1.00 0.00 C ATOM 448 OE1 GLU A 30 -1.266 7.125 11.715 1.00 0.00 O ATOM 449 OE2 GLU A 30 0.537 8.156 12.436 1.00 0.00 O ATOM 0 H GLU A 30 -0.851 7.836 6.708 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.402 10.287 8.165 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.703 8.200 8.931 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.140 7.444 9.172 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.306 9.724 10.538 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.438 9.666 10.696 1.00 0.00 H new ATOM 456 N ALA A 31 2.054 8.890 6.969 1.00 0.00 N ATOM 457 CA ALA A 31 3.507 8.830 6.858 1.00 0.00 C ATOM 458 C ALA A 31 4.069 10.138 6.309 1.00 0.00 C ATOM 459 O ALA A 31 5.196 10.520 6.624 1.00 0.00 O ATOM 460 CB ALA A 31 3.919 7.665 5.974 1.00 0.00 C ATOM 0 H ALA A 31 1.559 8.631 6.116 1.00 0.00 H new ATOM 0 HA ALA A 31 3.918 8.678 7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.006 7.631 5.899 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.556 6.733 6.408 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.491 7.793 4.980 1.00 0.00 H new ATOM 466 N PHE A 32 3.278 10.818 5.486 1.00 0.00 N ATOM 467 CA PHE A 32 3.696 12.083 4.889 1.00 0.00 C ATOM 468 C PHE A 32 4.084 13.095 5.964 1.00 0.00 C ATOM 469 O PHE A 32 4.909 13.977 5.729 1.00 0.00 O ATOM 470 CB PHE A 32 2.578 12.653 4.017 1.00 0.00 C ATOM 471 CG PHE A 32 2.342 11.873 2.754 1.00 0.00 C ATOM 472 CD1 PHE A 32 1.574 10.720 2.771 1.00 0.00 C ATOM 473 CD2 PHE A 32 2.890 12.293 1.553 1.00 0.00 C ATOM 474 CE1 PHE A 32 1.355 10.000 1.612 1.00 0.00 C ATOM 475 CE2 PHE A 32 2.676 11.576 0.391 1.00 0.00 C ATOM 476 CZ PHE A 32 1.907 10.429 0.419 1.00 0.00 C ATOM 0 H PHE A 32 2.342 10.514 5.216 1.00 0.00 H new ATOM 0 HA PHE A 32 4.570 11.889 4.268 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.655 12.679 4.596 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.821 13.683 3.758 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.142 10.380 3.700 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.491 13.190 1.524 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.753 9.103 1.638 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.110 11.913 -0.539 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.737 9.869 -0.489 1.00 0.00 H new ATOM 486 N TYR A 33 3.483 12.962 7.142 1.00 0.00 N ATOM 487 CA TYR A 33 3.768 13.866 8.250 1.00 0.00 C ATOM 488 C TYR A 33 4.788 13.256 9.208 1.00 0.00 C ATOM 489 O TYR A 33 4.793 13.560 10.400 1.00 0.00 O ATOM 490 CB TYR A 33 2.481 14.201 9.005 1.00 0.00 C ATOM 491 CG TYR A 33 1.331 14.588 8.102 1.00 0.00 C ATOM 492 CD1 TYR A 33 0.596 13.621 7.428 1.00 0.00 C ATOM 493 CD2 TYR A 33 0.980 15.920 7.925 1.00 0.00 C ATOM 494 CE1 TYR A 33 -0.454 13.971 6.602 1.00 0.00 C ATOM 495 CE2 TYR A 33 -0.069 16.278 7.101 1.00 0.00 C ATOM 496 CZ TYR A 33 -0.782 15.300 6.441 1.00 0.00 C ATOM 497 OH TYR A 33 -1.829 15.652 5.621 1.00 0.00 O ATOM 0 H TYR A 33 2.796 12.238 7.354 1.00 0.00 H new ATOM 0 HA TYR A 33 4.190 14.782 7.836 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.187 13.339 9.604 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.679 15.019 9.698 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.850 12.579 7.552 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.537 16.689 8.440 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.015 13.207 6.085 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.329 17.318 6.974 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.929 16.627 5.618 1.00 0.00 H new ATOM 507 N ASN A 34 5.652 12.394 8.677 1.00 0.00 N ATOM 508 CA ASN A 34 6.675 11.743 9.488 1.00 0.00 C ATOM 509 C ASN A 34 7.556 10.838 8.629 1.00 0.00 C ATOM 510 O ASN A 34 7.964 9.762 9.064 1.00 0.00 O ATOM 511 CB ASN A 34 6.029 10.930 10.610 1.00 0.00 C ATOM 512 CG ASN A 34 6.832 10.974 11.894 1.00 0.00 C ATOM 513 OD1 ASN A 34 6.305 11.296 12.960 1.00 0.00 O ATOM 514 ND2 ASN A 34 8.118 10.652 11.801 1.00 0.00 N ATOM 0 H ASN A 34 5.663 12.131 7.691 1.00 0.00 H new ATOM 0 HA ASN A 34 7.301 12.519 9.928 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.026 11.311 10.799 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.921 9.894 10.288 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.709 10.666 12.633 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.514 10.391 10.898 1.00 0.00 H new ATOM 612 N PHE A 42 15.001 6.372 -2.446 1.00 0.00 N ATOM 613 CA PHE A 42 15.537 5.022 -2.325 1.00 0.00 C ATOM 614 C PHE A 42 15.770 4.659 -0.863 1.00 0.00 C ATOM 615 O PHE A 42 16.483 5.359 -0.144 1.00 0.00 O ATOM 616 CB PHE A 42 16.845 4.896 -3.111 1.00 0.00 C ATOM 617 CG PHE A 42 17.456 3.525 -3.049 1.00 0.00 C ATOM 618 CD1 PHE A 42 18.304 3.176 -2.010 1.00 0.00 C ATOM 619 CD2 PHE A 42 17.182 2.585 -4.029 1.00 0.00 C ATOM 620 CE1 PHE A 42 18.868 1.915 -1.949 1.00 0.00 C ATOM 621 CE2 PHE A 42 17.742 1.323 -3.974 1.00 0.00 C ATOM 622 CZ PHE A 42 18.587 0.988 -2.934 1.00 0.00 C ATOM 0 HA PHE A 42 14.805 4.329 -2.740 1.00 0.00 H new ATOM 0 HB2 PHE A 42 16.659 5.154 -4.153 1.00 0.00 H new ATOM 0 HB3 PHE A 42 17.562 5.621 -2.726 1.00 0.00 H new ATOM 0 HD1 PHE A 42 18.527 3.898 -1.238 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.523 2.842 -4.845 1.00 0.00 H new ATOM 0 HE1 PHE A 42 19.527 1.655 -1.133 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.519 0.599 -4.744 1.00 0.00 H new ATOM 0 HZ PHE A 42 19.027 0.003 -2.891 1.00 0.00 H new ATOM 632 N VAL A 43 15.160 3.562 -0.431 1.00 0.00 N ATOM 633 CA VAL A 43 15.295 3.103 0.945 1.00 0.00 C ATOM 634 C VAL A 43 15.435 1.585 1.001 1.00 0.00 C ATOM 635 O VAL A 43 14.619 0.855 0.439 1.00 0.00 O ATOM 636 CB VAL A 43 14.088 3.537 1.799 1.00 0.00 C ATOM 637 CG1 VAL A 43 12.792 3.021 1.192 1.00 0.00 C ATOM 638 CG2 VAL A 43 14.242 3.059 3.238 1.00 0.00 C ATOM 0 H VAL A 43 14.566 2.973 -1.015 1.00 0.00 H new ATOM 0 HA VAL A 43 16.197 3.561 1.352 1.00 0.00 H new ATOM 0 HB VAL A 43 14.050 4.626 1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.950 3.337 1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.676 3.423 0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 43 12.820 1.932 1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.378 3.377 3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.310 1.971 3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.148 3.486 3.668 1.00 0.00 H new ATOM 648 N SER A 44 16.477 1.117 1.679 1.00 0.00 N ATOM 649 CA SER A 44 16.730 -0.312 1.806 1.00 0.00 C ATOM 650 C SER A 44 15.654 -0.989 2.650 1.00 0.00 C ATOM 651 O SER A 44 15.023 -0.357 3.496 1.00 0.00 O ATOM 652 CB SER A 44 18.106 -0.554 2.428 1.00 0.00 C ATOM 653 OG SER A 44 18.402 0.429 3.407 1.00 0.00 O ATOM 0 H SER A 44 17.161 1.709 2.150 1.00 0.00 H new ATOM 0 HA SER A 44 16.706 -0.746 0.806 1.00 0.00 H new ATOM 0 HB2 SER A 44 18.135 -1.545 2.882 1.00 0.00 H new ATOM 0 HB3 SER A 44 18.869 -0.538 1.649 1.00 0.00 H new ATOM 0 HG SER A 44 19.341 0.350 3.676 1.00 0.00 H new ATOM 659 N VAL A 45 15.455 -2.282 2.414 1.00 0.00 N ATOM 660 CA VAL A 45 14.464 -3.054 3.152 1.00 0.00 C ATOM 661 C VAL A 45 14.796 -3.086 4.639 1.00 0.00 C ATOM 662 O VAL A 45 13.909 -3.217 5.484 1.00 0.00 O ATOM 663 CB VAL A 45 14.380 -4.502 2.628 1.00 0.00 C ATOM 664 CG1 VAL A 45 13.305 -5.286 3.361 1.00 0.00 C ATOM 665 CG2 VAL A 45 14.127 -4.518 1.129 1.00 0.00 C ATOM 0 H VAL A 45 15.969 -2.818 1.715 1.00 0.00 H new ATOM 0 HA VAL A 45 13.502 -2.564 3.004 1.00 0.00 H new ATOM 0 HB VAL A 45 15.339 -4.984 2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 45 13.267 -6.303 2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 45 13.537 -5.313 4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.338 -4.805 3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 45 14.071 -5.549 0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 45 13.187 -4.011 0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 45 14.941 -4.005 0.617 1.00 0.00 H new ATOM 675 N GLU A 46 16.082 -2.969 4.951 1.00 0.00 N ATOM 676 CA GLU A 46 16.540 -2.987 6.336 1.00 0.00 C ATOM 677 C GLU A 46 16.156 -1.698 7.053 1.00 0.00 C ATOM 678 O GLU A 46 15.449 -1.725 8.060 1.00 0.00 O ATOM 679 CB GLU A 46 18.056 -3.185 6.388 1.00 0.00 C ATOM 680 CG GLU A 46 18.554 -4.305 5.487 1.00 0.00 C ATOM 681 CD GLU A 46 20.030 -4.181 5.165 1.00 0.00 C ATOM 682 OE1 GLU A 46 20.555 -3.049 5.205 1.00 0.00 O ATOM 683 OE2 GLU A 46 20.663 -5.218 4.874 1.00 0.00 O ATOM 0 H GLU A 46 16.827 -2.861 4.263 1.00 0.00 H new ATOM 0 HA GLU A 46 16.054 -3.820 6.845 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.546 -2.254 6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.351 -3.398 7.415 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.371 -5.264 5.971 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.982 -4.302 4.559 1.00 0.00 H new ATOM 690 N GLU A 47 16.620 -0.571 6.525 1.00 0.00 N ATOM 691 CA GLU A 47 16.318 0.729 7.114 1.00 0.00 C ATOM 692 C GLU A 47 14.811 0.957 7.180 1.00 0.00 C ATOM 693 O GLU A 47 14.315 1.663 8.059 1.00 0.00 O ATOM 694 CB GLU A 47 16.979 1.847 6.304 1.00 0.00 C ATOM 695 CG GLU A 47 18.482 1.681 6.153 1.00 0.00 C ATOM 696 CD GLU A 47 19.221 1.837 7.469 1.00 0.00 C ATOM 697 OE1 GLU A 47 18.984 2.848 8.166 1.00 0.00 O ATOM 698 OE2 GLU A 47 20.035 0.950 7.802 1.00 0.00 O ATOM 0 H GLU A 47 17.206 -0.531 5.691 1.00 0.00 H new ATOM 0 HA GLU A 47 16.716 0.742 8.129 1.00 0.00 H new ATOM 0 HB2 GLU A 47 16.525 1.885 5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 47 16.774 2.803 6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.695 0.697 5.735 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.856 2.417 5.441 1.00 0.00 H new ATOM 705 N PHE A 48 14.088 0.350 6.244 1.00 0.00 N ATOM 706 CA PHE A 48 12.637 0.479 6.192 1.00 0.00 C ATOM 707 C PHE A 48 11.995 -0.082 7.457 1.00 0.00 C ATOM 708 O PHE A 48 11.005 0.456 7.954 1.00 0.00 O ATOM 709 CB PHE A 48 12.089 -0.248 4.961 1.00 0.00 C ATOM 710 CG PHE A 48 11.121 0.572 4.158 1.00 0.00 C ATOM 711 CD1 PHE A 48 10.052 1.205 4.772 1.00 0.00 C ATOM 712 CD2 PHE A 48 11.279 0.708 2.789 1.00 0.00 C ATOM 713 CE1 PHE A 48 9.159 1.960 4.034 1.00 0.00 C ATOM 714 CE2 PHE A 48 10.389 1.461 2.046 1.00 0.00 C ATOM 715 CZ PHE A 48 9.328 2.087 2.669 1.00 0.00 C ATOM 0 H PHE A 48 14.485 -0.237 5.510 1.00 0.00 H new ATOM 0 HA PHE A 48 12.390 1.538 6.123 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.922 -0.540 4.322 1.00 0.00 H new ATOM 0 HB3 PHE A 48 11.596 -1.166 5.281 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.915 1.108 5.839 1.00 0.00 H new ATOM 0 HD2 PHE A 48 12.107 0.220 2.296 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.331 2.450 4.524 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.524 1.559 0.979 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.631 2.675 2.090 1.00 0.00 H new ATOM 725 N ARG A 49 12.565 -1.166 7.973 1.00 0.00 N ATOM 726 CA ARG A 49 12.051 -1.801 9.181 1.00 0.00 C ATOM 727 C ARG A 49 12.035 -0.820 10.348 1.00 0.00 C ATOM 728 O ARG A 49 11.019 -0.661 11.025 1.00 0.00 O ATOM 729 CB ARG A 49 12.895 -3.025 9.538 1.00 0.00 C ATOM 730 CG ARG A 49 12.552 -4.261 8.724 1.00 0.00 C ATOM 731 CD ARG A 49 13.790 -5.088 8.418 1.00 0.00 C ATOM 732 NE ARG A 49 13.455 -6.373 7.808 1.00 0.00 N ATOM 733 CZ ARG A 49 13.018 -7.429 8.492 1.00 0.00 C ATOM 734 NH1 ARG A 49 12.864 -7.356 9.808 1.00 0.00 N ATOM 735 NH2 ARG A 49 12.735 -8.558 7.858 1.00 0.00 N ATOM 0 H ARG A 49 13.384 -1.624 7.573 1.00 0.00 H new ATOM 0 HA ARG A 49 11.027 -2.120 8.986 1.00 0.00 H new ATOM 0 HB2 ARG A 49 13.948 -2.785 9.391 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.764 -3.250 10.596 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.832 -4.870 9.271 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.073 -3.962 7.792 1.00 0.00 H new ATOM 0 HD2 ARG A 49 14.443 -4.528 7.748 1.00 0.00 H new ATOM 0 HD3 ARG A 49 14.348 -5.259 9.339 1.00 0.00 H new ATOM 0 HE ARG A 49 13.562 -6.467 6.798 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.081 -6.489 10.299 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.529 -8.167 10.328 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.852 -8.618 6.847 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.400 -9.367 8.382 1.00 0.00 H new ATOM 749 N GLY A 50 13.168 -0.163 10.577 1.00 0.00 N ATOM 750 CA GLY A 50 13.261 0.797 11.662 1.00 0.00 C ATOM 751 C GLY A 50 12.228 1.900 11.552 1.00 0.00 C ATOM 752 O GLY A 50 11.832 2.493 12.556 1.00 0.00 O ATOM 0 H GLY A 50 14.022 -0.278 10.031 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.135 0.279 12.613 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.258 1.237 11.669 1.00 0.00 H new ATOM 756 N ILE A 51 11.791 2.178 10.327 1.00 0.00 N ATOM 757 CA ILE A 51 10.797 3.216 10.087 1.00 0.00 C ATOM 758 C ILE A 51 9.389 2.703 10.369 1.00 0.00 C ATOM 759 O ILE A 51 8.556 3.420 10.923 1.00 0.00 O ATOM 760 CB ILE A 51 10.863 3.731 8.637 1.00 0.00 C ATOM 761 CG1 ILE A 51 12.302 4.096 8.267 1.00 0.00 C ATOM 762 CG2 ILE A 51 9.945 4.932 8.456 1.00 0.00 C ATOM 763 CD1 ILE A 51 12.540 4.179 6.775 1.00 0.00 C ATOM 0 H ILE A 51 12.111 1.698 9.486 1.00 0.00 H new ATOM 0 HA ILE A 51 11.025 4.037 10.767 1.00 0.00 H new ATOM 0 HB ILE A 51 10.525 2.937 7.971 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.553 5.055 8.721 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.978 3.355 8.694 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.004 5.283 7.426 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.919 4.643 8.683 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.254 5.731 9.130 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.581 4.442 6.587 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.321 3.214 6.317 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.890 4.941 6.345 1.00 0.00 H new ATOM 775 N ILE A 52 9.130 1.458 9.982 1.00 0.00 N ATOM 776 CA ILE A 52 7.823 0.847 10.193 1.00 0.00 C ATOM 777 C ILE A 52 7.630 0.444 11.652 1.00 0.00 C ATOM 778 O ILE A 52 6.507 0.412 12.153 1.00 0.00 O ATOM 779 CB ILE A 52 7.633 -0.391 9.293 1.00 0.00 C ATOM 780 CG1 ILE A 52 7.775 -0.004 7.820 1.00 0.00 C ATOM 781 CG2 ILE A 52 6.276 -1.035 9.548 1.00 0.00 C ATOM 782 CD1 ILE A 52 6.681 0.919 7.332 1.00 0.00 C ATOM 0 H ILE A 52 9.809 0.852 9.520 1.00 0.00 H new ATOM 0 HA ILE A 52 7.076 1.596 9.930 1.00 0.00 H new ATOM 0 HB ILE A 52 8.408 -1.118 9.537 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.741 0.479 7.671 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.774 -0.909 7.213 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.160 -1.907 8.904 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.210 -1.343 10.591 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.486 -0.316 9.331 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.844 1.152 6.280 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.714 0.431 7.449 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.695 1.840 7.914 1.00 0.00 H new ATOM 794 N ARG A 53 8.733 0.134 12.330 1.00 0.00 N ATOM 795 CA ARG A 53 8.680 -0.268 13.731 1.00 0.00 C ATOM 796 C ARG A 53 7.882 0.734 14.560 1.00 0.00 C ATOM 797 O ARG A 53 6.924 0.368 15.240 1.00 0.00 O ATOM 798 CB ARG A 53 10.095 -0.402 14.297 1.00 0.00 C ATOM 799 CG ARG A 53 10.774 -1.714 13.933 1.00 0.00 C ATOM 800 CD ARG A 53 11.665 -2.211 15.061 1.00 0.00 C ATOM 801 NE ARG A 53 11.016 -3.253 15.852 1.00 0.00 N ATOM 802 CZ ARG A 53 10.934 -4.528 15.477 1.00 0.00 C ATOM 803 NH1 ARG A 53 11.457 -4.922 14.322 1.00 0.00 N ATOM 804 NH2 ARG A 53 10.326 -5.410 16.257 1.00 0.00 N ATOM 0 H ARG A 53 9.672 0.154 11.932 1.00 0.00 H new ATOM 0 HA ARG A 53 8.179 -1.234 13.785 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.703 0.426 13.932 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.053 -0.313 15.383 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.018 -2.466 13.707 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.369 -1.579 13.030 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.595 -2.598 14.645 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.929 -1.375 15.709 1.00 0.00 H new ATOM 0 HE ARG A 53 10.601 -2.988 16.745 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.924 -4.247 13.717 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.391 -5.900 14.040 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.921 -5.112 17.144 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.263 -6.387 15.970 1.00 0.00 H new ATOM 818 N ASP A 54 8.284 2.000 14.495 1.00 0.00 N ATOM 819 CA ASP A 54 7.606 3.057 15.237 1.00 0.00 C ATOM 820 C ASP A 54 6.882 4.018 14.296 1.00 0.00 C ATOM 821 O ASP A 54 6.490 5.113 14.698 1.00 0.00 O ATOM 822 CB ASP A 54 8.611 3.828 16.094 1.00 0.00 C ATOM 823 CG ASP A 54 8.023 4.263 17.422 1.00 0.00 C ATOM 824 OD1 ASP A 54 6.786 4.418 17.503 1.00 0.00 O ATOM 825 OD2 ASP A 54 8.799 4.448 18.384 1.00 0.00 O ATOM 0 H ASP A 54 9.076 2.318 13.936 1.00 0.00 H new ATOM 0 HA ASP A 54 6.864 2.589 15.884 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.486 3.203 16.274 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.954 4.706 15.546 1.00 0.00 H new ATOM 830 N GLY A 55 6.708 3.607 13.040 1.00 0.00 N ATOM 831 CA GLY A 55 6.034 4.454 12.074 1.00 0.00 C ATOM 832 C GLY A 55 4.585 4.061 11.860 1.00 0.00 C ATOM 833 O GLY A 55 3.687 4.600 12.508 1.00 0.00 O ATOM 0 H GLY A 55 7.021 2.706 12.678 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.079 5.490 12.411 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.564 4.405 11.123 1.00 0.00 H new ATOM 837 N LEU A 56 4.358 3.125 10.947 1.00 0.00 N ATOM 838 CA LEU A 56 3.007 2.663 10.645 1.00 0.00 C ATOM 839 C LEU A 56 2.757 1.279 11.239 1.00 0.00 C ATOM 840 O LEU A 56 3.634 0.416 11.212 1.00 0.00 O ATOM 841 CB LEU A 56 2.784 2.625 9.131 1.00 0.00 C ATOM 842 CG LEU A 56 3.392 3.797 8.356 1.00 0.00 C ATOM 843 CD1 LEU A 56 3.640 3.406 6.909 1.00 0.00 C ATOM 844 CD2 LEU A 56 2.483 5.013 8.435 1.00 0.00 C ATOM 0 H LEU A 56 5.091 2.670 10.402 1.00 0.00 H new ATOM 0 HA LEU A 56 2.304 3.365 11.094 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.201 1.696 8.741 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.712 2.599 8.938 1.00 0.00 H new ATOM 0 HG LEU A 56 4.349 4.054 8.810 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.072 4.251 6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.329 2.562 6.873 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.697 3.124 6.442 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.929 5.838 7.879 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.511 4.769 8.005 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.356 5.305 9.477 1.00 0.00 H new ATOM 856 N PRO A 57 1.550 1.047 11.788 1.00 0.00 N ATOM 857 CA PRO A 57 1.193 -0.238 12.388 1.00 0.00 C ATOM 858 C PRO A 57 0.768 -1.268 11.346 1.00 0.00 C ATOM 859 O PRO A 57 -0.324 -1.830 11.420 1.00 0.00 O ATOM 860 CB PRO A 57 0.017 0.127 13.291 1.00 0.00 C ATOM 861 CG PRO A 57 -0.647 1.264 12.594 1.00 0.00 C ATOM 862 CD PRO A 57 0.440 2.018 11.868 1.00 0.00 C ATOM 0 HA PRO A 57 2.031 -0.699 12.911 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.664 -0.715 13.416 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.355 0.414 14.287 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.401 0.903 11.895 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.157 1.911 13.307 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.114 2.335 10.877 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.733 2.917 12.410 1.00 0.00 H new ATOM 870 N MET A 58 1.641 -1.511 10.375 1.00 0.00 N ATOM 871 CA MET A 58 1.362 -2.473 9.318 1.00 0.00 C ATOM 872 C MET A 58 1.806 -3.873 9.732 1.00 0.00 C ATOM 873 O MET A 58 2.865 -4.044 10.335 1.00 0.00 O ATOM 874 CB MET A 58 2.073 -2.056 8.027 1.00 0.00 C ATOM 875 CG MET A 58 1.700 -2.901 6.821 1.00 0.00 C ATOM 876 SD MET A 58 1.634 -1.947 5.290 1.00 0.00 S ATOM 877 CE MET A 58 3.159 -2.451 4.492 1.00 0.00 C ATOM 0 H MET A 58 2.549 -1.053 10.299 1.00 0.00 H new ATOM 0 HA MET A 58 0.286 -2.491 9.143 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.838 -1.013 7.815 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.150 -2.115 8.181 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.425 -3.707 6.710 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.730 -3.366 6.996 1.00 0.00 H new ATOM 0 HE1 MET A 58 3.148 -2.131 3.450 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.006 -1.993 5.003 1.00 0.00 H new ATOM 0 HE3 MET A 58 3.252 -3.536 4.537 1.00 0.00 H new ATOM 887 N THR A 59 0.991 -4.873 9.406 1.00 0.00 N ATOM 888 CA THR A 59 1.308 -6.257 9.748 1.00 0.00 C ATOM 889 C THR A 59 2.492 -6.764 8.936 1.00 0.00 C ATOM 890 O THR A 59 2.613 -6.479 7.745 1.00 0.00 O ATOM 891 CB THR A 59 0.098 -7.163 9.522 1.00 0.00 C ATOM 892 OG1 THR A 59 -0.628 -6.764 8.373 1.00 0.00 O ATOM 893 CG2 THR A 59 -0.861 -7.184 10.694 1.00 0.00 C ATOM 0 H THR A 59 0.109 -4.752 8.907 1.00 0.00 H new ATOM 0 HA THR A 59 1.575 -6.282 10.805 1.00 0.00 H new ATOM 0 HB THR A 59 0.510 -8.164 9.393 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.959 -7.558 7.903 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.697 -7.846 10.468 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.342 -7.545 11.582 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.235 -6.176 10.876 1.00 0.00 H new ATOM 901 N GLU A 60 3.357 -7.527 9.595 1.00 0.00 N ATOM 902 CA GLU A 60 4.546 -8.098 8.962 1.00 0.00 C ATOM 903 C GLU A 60 4.238 -8.584 7.550 1.00 0.00 C ATOM 904 O GLU A 60 4.942 -8.261 6.601 1.00 0.00 O ATOM 905 CB GLU A 60 5.077 -9.247 9.829 1.00 0.00 C ATOM 906 CG GLU A 60 4.873 -10.638 9.244 1.00 0.00 C ATOM 907 CD GLU A 60 5.503 -11.725 10.091 1.00 0.00 C ATOM 908 OE1 GLU A 60 4.850 -12.182 11.053 1.00 0.00 O ATOM 909 OE2 GLU A 60 6.650 -12.121 9.794 1.00 0.00 O ATOM 0 H GLU A 60 3.257 -7.768 10.581 1.00 0.00 H new ATOM 0 HA GLU A 60 5.310 -7.324 8.880 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.143 -9.093 9.998 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.590 -9.203 10.803 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.805 -10.833 9.145 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.298 -10.672 8.241 1.00 0.00 H new ATOM 916 N ALA A 61 3.182 -9.367 7.435 1.00 0.00 N ATOM 917 CA ALA A 61 2.757 -9.918 6.159 1.00 0.00 C ATOM 918 C ALA A 61 2.757 -8.860 5.068 1.00 0.00 C ATOM 919 O ALA A 61 3.364 -9.045 4.020 1.00 0.00 O ATOM 920 CB ALA A 61 1.380 -10.545 6.291 1.00 0.00 C ATOM 0 H ALA A 61 2.594 -9.640 8.222 1.00 0.00 H new ATOM 0 HA ALA A 61 3.472 -10.689 5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.073 -10.954 5.329 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.414 -11.344 7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.664 -9.787 6.608 1.00 0.00 H new ATOM 926 N GLU A 62 2.084 -7.745 5.317 1.00 0.00 N ATOM 927 CA GLU A 62 2.033 -6.669 4.331 1.00 0.00 C ATOM 928 C GLU A 62 3.443 -6.198 3.999 1.00 0.00 C ATOM 929 O GLU A 62 3.883 -6.291 2.856 1.00 0.00 O ATOM 930 CB GLU A 62 1.195 -5.479 4.819 1.00 0.00 C ATOM 931 CG GLU A 62 0.206 -5.811 5.923 1.00 0.00 C ATOM 932 CD GLU A 62 -0.679 -6.992 5.580 1.00 0.00 C ATOM 933 OE1 GLU A 62 -1.509 -6.866 4.656 1.00 0.00 O ATOM 934 OE2 GLU A 62 -0.543 -8.047 6.238 1.00 0.00 O ATOM 0 H GLU A 62 1.572 -7.561 6.180 1.00 0.00 H new ATOM 0 HA GLU A 62 1.555 -7.070 3.437 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.868 -4.699 5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.648 -5.065 3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.752 -6.026 6.842 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.418 -4.940 6.120 1.00 0.00 H new ATOM 941 N ILE A 63 4.150 -5.703 5.012 1.00 0.00 N ATOM 942 CA ILE A 63 5.521 -5.224 4.828 1.00 0.00 C ATOM 943 C ILE A 63 6.406 -6.319 4.258 1.00 0.00 C ATOM 944 O ILE A 63 6.967 -6.177 3.177 1.00 0.00 O ATOM 945 CB ILE A 63 6.149 -4.724 6.143 1.00 0.00 C ATOM 946 CG1 ILE A 63 5.137 -3.922 6.957 1.00 0.00 C ATOM 947 CG2 ILE A 63 7.381 -3.881 5.852 1.00 0.00 C ATOM 948 CD1 ILE A 63 4.550 -4.707 8.103 1.00 0.00 C ATOM 0 H ILE A 63 3.799 -5.622 5.966 1.00 0.00 H new ATOM 0 HA ILE A 63 5.459 -4.389 4.131 1.00 0.00 H new ATOM 0 HB ILE A 63 6.448 -5.592 6.731 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.620 -3.026 7.347 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.332 -3.590 6.301 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.815 -3.534 6.790 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.114 -4.482 5.314 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.099 -3.022 5.243 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.838 -4.084 8.644 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.040 -5.589 7.716 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.348 -5.016 8.778 1.00 0.00 H new ATOM 960 N THR A 64 6.520 -7.419 4.994 1.00 0.00 N ATOM 961 CA THR A 64 7.328 -8.552 4.567 1.00 0.00 C ATOM 962 C THR A 64 6.946 -8.988 3.159 1.00 0.00 C ATOM 963 O THR A 64 7.804 -9.120 2.286 1.00 0.00 O ATOM 964 CB THR A 64 7.139 -9.719 5.530 1.00 0.00 C ATOM 965 OG1 THR A 64 7.681 -9.415 6.804 1.00 0.00 O ATOM 966 CG2 THR A 64 7.772 -11.008 5.053 1.00 0.00 C ATOM 0 H THR A 64 6.059 -7.549 5.895 1.00 0.00 H new ATOM 0 HA THR A 64 8.374 -8.245 4.567 1.00 0.00 H new ATOM 0 HB THR A 64 6.061 -9.868 5.586 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.030 -8.895 7.321 1.00 0.00 H new ATOM 0 HG21 THR A 64 7.597 -11.793 5.788 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.331 -11.299 4.100 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.845 -10.862 4.927 1.00 0.00 H new ATOM 974 N GLU A 65 5.651 -9.200 2.939 1.00 0.00 N ATOM 975 CA GLU A 65 5.174 -9.611 1.623 1.00 0.00 C ATOM 976 C GLU A 65 5.397 -8.506 0.614 1.00 0.00 C ATOM 977 O GLU A 65 5.367 -8.723 -0.598 1.00 0.00 O ATOM 978 CB GLU A 65 3.699 -9.998 1.661 1.00 0.00 C ATOM 979 CG GLU A 65 3.216 -10.688 0.395 1.00 0.00 C ATOM 980 CD GLU A 65 1.841 -11.307 0.557 1.00 0.00 C ATOM 981 OE1 GLU A 65 1.741 -12.370 1.203 1.00 0.00 O ATOM 982 OE2 GLU A 65 0.865 -10.727 0.037 1.00 0.00 O ATOM 0 H GLU A 65 4.922 -9.096 3.645 1.00 0.00 H new ATOM 0 HA GLU A 65 5.745 -10.490 1.322 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.527 -10.657 2.512 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.101 -9.102 1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.192 -9.966 -0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.929 -11.463 0.114 1.00 0.00 H new ATOM 989 N PHE A 66 5.640 -7.330 1.138 1.00 0.00 N ATOM 990 CA PHE A 66 5.899 -6.162 0.318 1.00 0.00 C ATOM 991 C PHE A 66 7.403 -5.952 0.156 1.00 0.00 C ATOM 992 O PHE A 66 7.855 -5.368 -0.826 1.00 0.00 O ATOM 993 CB PHE A 66 5.259 -4.906 0.923 1.00 0.00 C ATOM 994 CG PHE A 66 3.843 -4.672 0.474 1.00 0.00 C ATOM 995 CD1 PHE A 66 3.482 -4.853 -0.853 1.00 0.00 C ATOM 996 CD2 PHE A 66 2.873 -4.268 1.378 1.00 0.00 C ATOM 997 CE1 PHE A 66 2.182 -4.637 -1.267 1.00 0.00 C ATOM 998 CE2 PHE A 66 1.571 -4.049 0.968 1.00 0.00 C ATOM 999 CZ PHE A 66 1.225 -4.234 -0.356 1.00 0.00 C ATOM 0 H PHE A 66 5.665 -7.151 2.142 1.00 0.00 H new ATOM 0 HA PHE A 66 5.453 -6.335 -0.661 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.277 -4.987 2.010 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.863 -4.038 0.658 1.00 0.00 H new ATOM 0 HD1 PHE A 66 4.226 -5.166 -1.571 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.137 -4.123 2.415 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.914 -4.783 -2.303 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.825 -3.734 1.683 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.208 -4.064 -0.679 1.00 0.00 H new ATOM 1009 N PHE A 67 8.169 -6.441 1.130 1.00 0.00 N ATOM 1010 CA PHE A 67 9.620 -6.313 1.103 1.00 0.00 C ATOM 1011 C PHE A 67 10.217 -7.209 0.022 1.00 0.00 C ATOM 1012 O PHE A 67 11.137 -6.809 -0.693 1.00 0.00 O ATOM 1013 CB PHE A 67 10.206 -6.680 2.468 1.00 0.00 C ATOM 1014 CG PHE A 67 10.288 -5.534 3.443 1.00 0.00 C ATOM 1015 CD1 PHE A 67 10.528 -4.236 3.009 1.00 0.00 C ATOM 1016 CD2 PHE A 67 10.129 -5.763 4.800 1.00 0.00 C ATOM 1017 CE1 PHE A 67 10.604 -3.194 3.915 1.00 0.00 C ATOM 1018 CE2 PHE A 67 10.206 -4.725 5.708 1.00 0.00 C ATOM 1019 CZ PHE A 67 10.442 -3.438 5.265 1.00 0.00 C ATOM 0 H PHE A 67 7.805 -6.930 1.948 1.00 0.00 H new ATOM 0 HA PHE A 67 9.871 -5.277 0.874 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.600 -7.472 2.908 1.00 0.00 H new ATOM 0 HB3 PHE A 67 11.206 -7.088 2.322 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.656 -4.039 1.955 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.942 -6.767 5.153 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.790 -2.189 3.567 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.082 -4.919 6.763 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.500 -2.624 5.973 1.00 0.00 H new ATOM 1029 N GLU A 68 9.686 -8.421 -0.090 1.00 0.00 N ATOM 1030 CA GLU A 68 10.163 -9.375 -1.084 1.00 0.00 C ATOM 1031 C GLU A 68 9.496 -9.134 -2.434 1.00 0.00 C ATOM 1032 O GLU A 68 10.076 -9.411 -3.483 1.00 0.00 O ATOM 1033 CB GLU A 68 9.894 -10.806 -0.617 1.00 0.00 C ATOM 1034 CG GLU A 68 10.292 -11.062 0.827 1.00 0.00 C ATOM 1035 CD GLU A 68 11.769 -10.825 1.074 1.00 0.00 C ATOM 1036 OE1 GLU A 68 12.573 -11.736 0.785 1.00 0.00 O ATOM 1037 OE2 GLU A 68 12.121 -9.728 1.558 1.00 0.00 O ATOM 0 H GLU A 68 8.925 -8.766 0.495 1.00 0.00 H new ATOM 0 HA GLU A 68 11.238 -9.234 -1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.833 -11.024 -0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.436 -11.497 -1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.709 -10.414 1.481 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.043 -12.090 1.092 1.00 0.00 H new ATOM 1044 N ALA A 69 8.273 -8.614 -2.400 1.00 0.00 N ATOM 1045 CA ALA A 69 7.526 -8.334 -3.622 1.00 0.00 C ATOM 1046 C ALA A 69 7.959 -7.026 -4.259 1.00 0.00 C ATOM 1047 O ALA A 69 7.598 -6.713 -5.393 1.00 0.00 O ATOM 1048 CB ALA A 69 6.040 -8.303 -3.329 1.00 0.00 C ATOM 0 H ALA A 69 7.778 -8.378 -1.540 1.00 0.00 H new ATOM 0 HA ALA A 69 7.739 -9.134 -4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.492 -8.093 -4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.727 -9.269 -2.932 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.830 -7.524 -2.596 1.00 0.00 H new ATOM 1054 N ALA A 70 8.733 -6.279 -3.512 1.00 0.00 N ATOM 1055 CA ALA A 70 9.244 -4.992 -3.963 1.00 0.00 C ATOM 1056 C ALA A 70 10.599 -5.150 -4.645 1.00 0.00 C ATOM 1057 O ALA A 70 10.937 -4.399 -5.559 1.00 0.00 O ATOM 1058 CB ALA A 70 9.349 -4.025 -2.794 1.00 0.00 C ATOM 0 H ALA A 70 9.032 -6.539 -2.572 1.00 0.00 H new ATOM 0 HA ALA A 70 8.543 -4.586 -4.692 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.732 -3.068 -3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.363 -3.880 -2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.027 -4.433 -2.044 1.00 0.00 H new ATOM 1064 N ASP A 71 11.371 -6.134 -4.193 1.00 0.00 N ATOM 1065 CA ASP A 71 12.688 -6.393 -4.758 1.00 0.00 C ATOM 1066 C ASP A 71 12.731 -7.767 -5.425 1.00 0.00 C ATOM 1067 O ASP A 71 12.487 -8.786 -4.777 1.00 0.00 O ATOM 1068 CB ASP A 71 13.757 -6.310 -3.666 1.00 0.00 C ATOM 1069 CG ASP A 71 15.150 -6.118 -4.233 1.00 0.00 C ATOM 1070 OD1 ASP A 71 15.361 -5.129 -4.968 1.00 0.00 O ATOM 1071 OD2 ASP A 71 16.029 -6.955 -3.943 1.00 0.00 O ATOM 0 H ASP A 71 11.105 -6.765 -3.437 1.00 0.00 H new ATOM 0 HA ASP A 71 12.890 -5.634 -5.514 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.524 -5.483 -2.995 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.733 -7.221 -3.069 1.00 0.00 H new ATOM 1076 N PRO A 72 13.043 -7.820 -6.734 1.00 0.00 N ATOM 1077 CA PRO A 72 13.114 -9.084 -7.476 1.00 0.00 C ATOM 1078 C PRO A 72 14.215 -9.998 -6.954 1.00 0.00 C ATOM 1079 O PRO A 72 14.068 -11.221 -6.939 1.00 0.00 O ATOM 1080 CB PRO A 72 13.418 -8.647 -8.913 1.00 0.00 C ATOM 1081 CG PRO A 72 14.012 -7.287 -8.786 1.00 0.00 C ATOM 1082 CD PRO A 72 13.352 -6.661 -7.591 1.00 0.00 C ATOM 0 HA PRO A 72 12.194 -9.660 -7.382 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.110 -9.336 -9.397 1.00 0.00 H new ATOM 0 HB3 PRO A 72 12.512 -8.627 -9.519 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.092 -7.343 -8.651 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.833 -6.697 -9.685 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.013 -5.954 -7.090 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.451 -6.114 -7.869 1.00 0.00 H new ATOM 1090 N ASN A 73 15.319 -9.399 -6.520 1.00 0.00 N ATOM 1091 CA ASN A 73 16.447 -10.158 -5.993 1.00 0.00 C ATOM 1092 C ASN A 73 16.242 -10.477 -4.515 1.00 0.00 C ATOM 1093 O ASN A 73 16.701 -11.505 -4.021 1.00 0.00 O ATOM 1094 CB ASN A 73 17.748 -9.377 -6.183 1.00 0.00 C ATOM 1095 CG ASN A 73 17.899 -8.840 -7.593 1.00 0.00 C ATOM 1096 OD1 ASN A 73 18.393 -9.532 -8.483 1.00 0.00 O ATOM 1097 ND2 ASN A 73 17.474 -7.600 -7.802 1.00 0.00 N ATOM 0 H ASN A 73 15.457 -8.388 -6.523 1.00 0.00 H new ATOM 0 HA ASN A 73 16.512 -11.096 -6.544 1.00 0.00 H new ATOM 0 HB2 ASN A 73 17.777 -8.548 -5.476 1.00 0.00 H new ATOM 0 HB3 ASN A 73 18.594 -10.024 -5.951 1.00 0.00 H new ATOM 0 HD21 ASN A 73 17.550 -7.184 -8.730 1.00 0.00 H new ATOM 0 HD22 ASN A 73 17.071 -7.063 -7.034 1.00 0.00 H new ATOM 1104 N ASN A 74 15.557 -9.578 -3.814 1.00 0.00 N ATOM 1105 CA ASN A 74 15.295 -9.748 -2.390 1.00 0.00 C ATOM 1106 C ASN A 74 16.570 -9.529 -1.593 1.00 0.00 C ATOM 1107 O ASN A 74 16.817 -10.204 -0.595 1.00 0.00 O ATOM 1108 CB ASN A 74 14.727 -11.136 -2.093 1.00 0.00 C ATOM 1109 CG ASN A 74 13.637 -11.537 -3.066 1.00 0.00 C ATOM 1110 OD1 ASN A 74 13.760 -12.534 -3.779 1.00 0.00 O ATOM 1111 ND2 ASN A 74 12.559 -10.761 -3.101 1.00 0.00 N ATOM 0 H ASN A 74 15.172 -8.721 -4.212 1.00 0.00 H new ATOM 0 HA ASN A 74 14.553 -9.006 -2.094 1.00 0.00 H new ATOM 0 HB2 ASN A 74 15.532 -11.870 -2.131 1.00 0.00 H new ATOM 0 HB3 ASN A 74 14.328 -11.153 -1.079 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.792 -10.982 -3.736 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.498 -9.944 -2.493 1.00 0.00 H new ATOM 1118 N THR A 75 17.374 -8.576 -2.044 1.00 0.00 N ATOM 1119 CA THR A 75 18.625 -8.258 -1.376 1.00 0.00 C ATOM 1120 C THR A 75 18.408 -7.203 -0.297 1.00 0.00 C ATOM 1121 O THR A 75 19.205 -6.275 -0.147 1.00 0.00 O ATOM 1122 CB THR A 75 19.660 -7.772 -2.395 1.00 0.00 C ATOM 1123 OG1 THR A 75 20.797 -7.235 -1.746 1.00 0.00 O ATOM 1124 CG2 THR A 75 19.122 -6.716 -3.337 1.00 0.00 C ATOM 0 H THR A 75 17.181 -8.010 -2.870 1.00 0.00 H new ATOM 0 HA THR A 75 19.000 -9.163 -0.898 1.00 0.00 H new ATOM 0 HB THR A 75 19.924 -8.654 -2.978 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.559 -6.385 -1.319 1.00 0.00 H new ATOM 0 HG21 THR A 75 19.906 -6.416 -4.033 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.278 -7.122 -3.895 1.00 0.00 H new ATOM 0 HG23 THR A 75 18.795 -5.849 -2.763 1.00 0.00 H new ATOM 1132 N GLY A 76 17.318 -7.350 0.451 1.00 0.00 N ATOM 1133 CA GLY A 76 17.001 -6.408 1.505 1.00 0.00 C ATOM 1134 C GLY A 76 17.037 -4.969 1.034 1.00 0.00 C ATOM 1135 O GLY A 76 17.254 -4.053 1.829 1.00 0.00 O ATOM 0 H GLY A 76 16.646 -8.110 0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 76 16.010 -6.632 1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.708 -6.535 2.325 1.00 0.00 H new ATOM 1139 N PHE A 77 16.818 -4.765 -0.260 1.00 0.00 N ATOM 1140 CA PHE A 77 16.817 -3.425 -0.830 1.00 0.00 C ATOM 1141 C PHE A 77 15.548 -3.186 -1.640 1.00 0.00 C ATOM 1142 O PHE A 77 15.183 -3.994 -2.495 1.00 0.00 O ATOM 1143 CB PHE A 77 18.050 -3.218 -1.714 1.00 0.00 C ATOM 1144 CG PHE A 77 19.353 -3.334 -0.972 1.00 0.00 C ATOM 1145 CD1 PHE A 77 19.485 -2.821 0.309 1.00 0.00 C ATOM 1146 CD2 PHE A 77 20.444 -3.956 -1.557 1.00 0.00 C ATOM 1147 CE1 PHE A 77 20.682 -2.926 0.992 1.00 0.00 C ATOM 1148 CE2 PHE A 77 21.644 -4.064 -0.879 1.00 0.00 C ATOM 1149 CZ PHE A 77 21.763 -3.548 0.397 1.00 0.00 C ATOM 0 H PHE A 77 16.639 -5.510 -0.933 1.00 0.00 H new ATOM 0 HA PHE A 77 16.847 -2.707 -0.010 1.00 0.00 H new ATOM 0 HB2 PHE A 77 18.035 -3.951 -2.520 1.00 0.00 H new ATOM 0 HB3 PHE A 77 17.993 -2.233 -2.177 1.00 0.00 H new ATOM 0 HD1 PHE A 77 18.643 -2.334 0.779 1.00 0.00 H new ATOM 0 HD2 PHE A 77 20.356 -4.361 -2.554 1.00 0.00 H new ATOM 0 HE1 PHE A 77 20.772 -2.522 1.990 1.00 0.00 H new ATOM 0 HE2 PHE A 77 22.487 -4.551 -1.346 1.00 0.00 H new ATOM 0 HZ PHE A 77 22.699 -3.631 0.929 1.00 0.00 H new ATOM 1159 N ILE A 78 14.876 -2.074 -1.364 1.00 0.00 N ATOM 1160 CA ILE A 78 13.644 -1.733 -2.065 1.00 0.00 C ATOM 1161 C ILE A 78 13.883 -0.686 -3.141 1.00 0.00 C ATOM 1162 O ILE A 78 14.767 0.162 -3.022 1.00 0.00 O ATOM 1163 CB ILE A 78 12.570 -1.174 -1.104 1.00 0.00 C ATOM 1164 CG1 ILE A 78 12.155 -2.216 -0.075 1.00 0.00 C ATOM 1165 CG2 ILE A 78 11.344 -0.699 -1.876 1.00 0.00 C ATOM 1166 CD1 ILE A 78 11.083 -1.712 0.866 1.00 0.00 C ATOM 0 H ILE A 78 15.163 -1.394 -0.660 1.00 0.00 H new ATOM 0 HA ILE A 78 13.294 -2.662 -2.514 1.00 0.00 H new ATOM 0 HB ILE A 78 13.011 -0.325 -0.582 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.792 -3.105 -0.590 1.00 0.00 H new ATOM 0 HG13 ILE A 78 13.028 -2.517 0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.603 -0.310 -1.178 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.635 0.088 -2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.917 -1.535 -2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.826 -2.496 1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.453 -0.840 1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.197 -1.437 0.294 1.00 0.00 H new ATOM 1178 N ASP A 79 13.040 -0.722 -4.162 1.00 0.00 N ATOM 1179 CA ASP A 79 13.096 0.251 -5.234 1.00 0.00 C ATOM 1180 C ASP A 79 12.000 1.276 -4.990 1.00 0.00 C ATOM 1181 O ASP A 79 10.840 1.040 -5.323 1.00 0.00 O ATOM 1182 CB ASP A 79 12.907 -0.425 -6.594 1.00 0.00 C ATOM 1183 CG ASP A 79 12.947 0.564 -7.741 1.00 0.00 C ATOM 1184 OD1 ASP A 79 13.733 1.531 -7.666 1.00 0.00 O ATOM 1185 OD2 ASP A 79 12.193 0.371 -8.718 1.00 0.00 O ATOM 0 H ASP A 79 12.305 -1.421 -4.268 1.00 0.00 H new ATOM 0 HA ASP A 79 14.072 0.736 -5.247 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.686 -1.174 -6.736 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.953 -0.952 -6.605 1.00 0.00 H new ATOM 1190 N TYR A 80 12.372 2.391 -4.362 1.00 0.00 N ATOM 1191 CA TYR A 80 11.425 3.455 -4.015 1.00 0.00 C ATOM 1192 C TYR A 80 10.242 3.519 -4.978 1.00 0.00 C ATOM 1193 O TYR A 80 9.101 3.707 -4.557 1.00 0.00 O ATOM 1194 CB TYR A 80 12.138 4.806 -3.986 1.00 0.00 C ATOM 1195 CG TYR A 80 11.253 5.947 -3.536 1.00 0.00 C ATOM 1196 CD1 TYR A 80 10.627 5.920 -2.296 1.00 0.00 C ATOM 1197 CD2 TYR A 80 11.045 7.053 -4.351 1.00 0.00 C ATOM 1198 CE1 TYR A 80 9.818 6.961 -1.881 1.00 0.00 C ATOM 1199 CE2 TYR A 80 10.239 8.099 -3.943 1.00 0.00 C ATOM 1200 CZ TYR A 80 9.627 8.048 -2.708 1.00 0.00 C ATOM 1201 OH TYR A 80 8.825 9.087 -2.298 1.00 0.00 O ATOM 0 H TYR A 80 13.333 2.584 -4.080 1.00 0.00 H new ATOM 0 HA TYR A 80 11.031 3.221 -3.026 1.00 0.00 H new ATOM 0 HB2 TYR A 80 12.998 4.739 -3.320 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.523 5.026 -4.982 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.775 5.071 -1.645 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.521 7.096 -5.319 1.00 0.00 H new ATOM 0 HE1 TYR A 80 9.338 6.923 -0.914 1.00 0.00 H new ATOM 0 HE2 TYR A 80 10.089 8.952 -4.588 1.00 0.00 H new ATOM 0 HH TYR A 80 8.797 9.774 -2.997 1.00 0.00 H new ATOM 1211 N LYS A 81 10.516 3.360 -6.268 1.00 0.00 N ATOM 1212 CA LYS A 81 9.461 3.398 -7.273 1.00 0.00 C ATOM 1213 C LYS A 81 8.505 2.226 -7.092 1.00 0.00 C ATOM 1214 O LYS A 81 7.299 2.417 -6.940 1.00 0.00 O ATOM 1215 CB LYS A 81 10.060 3.379 -8.682 1.00 0.00 C ATOM 1216 CG LYS A 81 10.651 4.712 -9.108 1.00 0.00 C ATOM 1217 CD LYS A 81 9.659 5.526 -9.923 1.00 0.00 C ATOM 1218 CE LYS A 81 8.712 6.307 -9.026 1.00 0.00 C ATOM 1219 NZ LYS A 81 8.399 7.651 -9.586 1.00 0.00 N ATOM 0 H LYS A 81 11.453 3.205 -6.640 1.00 0.00 H new ATOM 0 HA LYS A 81 8.902 4.325 -7.145 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.836 2.615 -8.728 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.286 3.090 -9.393 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.949 5.278 -8.225 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.552 4.540 -9.696 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.199 6.215 -10.573 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.085 4.862 -10.569 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.788 5.744 -8.896 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.158 6.420 -8.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 7.751 8.152 -8.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.278 8.198 -9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.950 7.543 -10.518 1.00 0.00 H new ATOM 1233 N ALA A 82 9.050 1.013 -7.094 1.00 0.00 N ATOM 1234 CA ALA A 82 8.240 -0.186 -6.911 1.00 0.00 C ATOM 1235 C ALA A 82 7.401 -0.075 -5.643 1.00 0.00 C ATOM 1236 O ALA A 82 6.327 -0.667 -5.536 1.00 0.00 O ATOM 1237 CB ALA A 82 9.125 -1.422 -6.848 1.00 0.00 C ATOM 0 H ALA A 82 10.046 0.835 -7.220 1.00 0.00 H new ATOM 0 HA ALA A 82 7.570 -0.280 -7.765 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.504 -2.307 -6.711 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.688 -1.514 -7.777 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.817 -1.331 -6.011 1.00 0.00 H new ATOM 1243 N PHE A 83 7.905 0.695 -4.684 1.00 0.00 N ATOM 1244 CA PHE A 83 7.217 0.898 -3.418 1.00 0.00 C ATOM 1245 C PHE A 83 6.273 2.093 -3.502 1.00 0.00 C ATOM 1246 O PHE A 83 5.229 2.120 -2.849 1.00 0.00 O ATOM 1247 CB PHE A 83 8.236 1.105 -2.297 1.00 0.00 C ATOM 1248 CG PHE A 83 8.114 0.096 -1.194 1.00 0.00 C ATOM 1249 CD1 PHE A 83 8.305 -1.249 -1.452 1.00 0.00 C ATOM 1250 CD2 PHE A 83 7.802 0.492 0.097 1.00 0.00 C ATOM 1251 CE1 PHE A 83 8.190 -2.185 -0.445 1.00 0.00 C ATOM 1252 CE2 PHE A 83 7.685 -0.441 1.110 1.00 0.00 C ATOM 1253 CZ PHE A 83 7.879 -1.781 0.838 1.00 0.00 C ATOM 0 H PHE A 83 8.793 1.191 -4.763 1.00 0.00 H new ATOM 0 HA PHE A 83 6.624 0.010 -3.199 1.00 0.00 H new ATOM 0 HB2 PHE A 83 9.241 1.057 -2.715 1.00 0.00 H new ATOM 0 HB3 PHE A 83 8.111 2.105 -1.881 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.547 -1.571 -2.454 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.649 1.539 0.313 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.343 -3.232 -0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.442 -0.123 2.113 1.00 0.00 H new ATOM 0 HZ PHE A 83 7.788 -2.512 1.628 1.00 0.00 H new ATOM 1263 N ALA A 84 6.648 3.081 -4.310 1.00 0.00 N ATOM 1264 CA ALA A 84 5.838 4.282 -4.482 1.00 0.00 C ATOM 1265 C ALA A 84 4.666 4.024 -5.424 1.00 0.00 C ATOM 1266 O ALA A 84 3.603 4.629 -5.287 1.00 0.00 O ATOM 1267 CB ALA A 84 6.695 5.424 -5.004 1.00 0.00 C ATOM 0 H ALA A 84 7.509 3.073 -4.856 1.00 0.00 H new ATOM 0 HA ALA A 84 5.433 4.560 -3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.079 6.314 -5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.495 5.633 -4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.127 5.145 -5.965 1.00 0.00 H new ATOM 1273 N ALA A 85 4.868 3.124 -6.381 1.00 0.00 N ATOM 1274 CA ALA A 85 3.828 2.787 -7.346 1.00 0.00 C ATOM 1275 C ALA A 85 2.745 1.922 -6.729 1.00 0.00 C ATOM 1276 O ALA A 85 1.684 1.705 -7.314 1.00 0.00 O ATOM 1277 CB ALA A 85 4.433 2.094 -8.553 1.00 0.00 C ATOM 0 H ALA A 85 5.743 2.615 -6.509 1.00 0.00 H new ATOM 0 HA ALA A 85 3.362 3.719 -7.666 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.645 1.848 -9.265 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.157 2.756 -9.028 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.932 1.179 -8.235 1.00 0.00 H new ATOM 1283 N MET A 86 3.032 1.439 -5.544 1.00 0.00 N ATOM 1284 CA MET A 86 2.107 0.592 -4.803 1.00 0.00 C ATOM 1285 C MET A 86 0.964 1.417 -4.222 1.00 0.00 C ATOM 1286 O MET A 86 -0.162 0.933 -4.094 1.00 0.00 O ATOM 1287 CB MET A 86 2.841 -0.146 -3.683 1.00 0.00 C ATOM 1288 CG MET A 86 3.795 -1.217 -4.184 1.00 0.00 C ATOM 1289 SD MET A 86 3.046 -2.857 -4.212 1.00 0.00 S ATOM 1290 CE MET A 86 3.700 -3.502 -5.751 1.00 0.00 C ATOM 0 H MET A 86 3.912 1.618 -5.060 1.00 0.00 H new ATOM 0 HA MET A 86 1.689 -0.140 -5.495 1.00 0.00 H new ATOM 0 HB2 MET A 86 3.399 0.577 -3.088 1.00 0.00 H new ATOM 0 HB3 MET A 86 2.108 -0.606 -3.020 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.131 -0.958 -5.188 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.680 -1.237 -3.547 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.326 -4.513 -5.910 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.384 -2.864 -6.576 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.789 -3.521 -5.704 1.00 0.00 H new ATOM 1300 N LEU A 87 1.260 2.663 -3.874 1.00 0.00 N ATOM 1301 CA LEU A 87 0.257 3.560 -3.307 1.00 0.00 C ATOM 1302 C LEU A 87 -0.339 4.468 -4.363 1.00 0.00 C ATOM 1303 O LEU A 87 -1.289 5.211 -4.121 1.00 0.00 O ATOM 1304 CB LEU A 87 0.873 4.400 -2.201 1.00 0.00 C ATOM 1305 CG LEU A 87 1.405 3.612 -1.001 1.00 0.00 C ATOM 1306 CD1 LEU A 87 2.742 4.174 -0.544 1.00 0.00 C ATOM 1307 CD2 LEU A 87 0.398 3.632 0.139 1.00 0.00 C ATOM 0 H LEU A 87 2.187 3.077 -3.974 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.544 2.944 -2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.691 4.984 -2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.125 5.109 -1.846 1.00 0.00 H new ATOM 0 HG LEU A 87 1.555 2.577 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.105 3.601 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.463 4.106 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.618 5.218 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.793 3.067 0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.215 4.662 0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.537 3.181 -0.194 1.00 0.00 H new ATOM 1319 N TYR A 88 0.242 4.384 -5.525 1.00 0.00 N ATOM 1320 CA TYR A 88 -0.183 5.173 -6.675 1.00 0.00 C ATOM 1321 C TYR A 88 -0.473 4.280 -7.877 1.00 0.00 C ATOM 1322 O TYR A 88 -0.446 4.733 -9.022 1.00 0.00 O ATOM 1323 CB TYR A 88 0.887 6.205 -7.036 1.00 0.00 C ATOM 1324 CG TYR A 88 1.156 7.210 -5.940 1.00 0.00 C ATOM 1325 CD1 TYR A 88 0.109 7.812 -5.252 1.00 0.00 C ATOM 1326 CD2 TYR A 88 2.455 7.556 -5.592 1.00 0.00 C ATOM 1327 CE1 TYR A 88 0.351 8.731 -4.248 1.00 0.00 C ATOM 1328 CE2 TYR A 88 2.705 8.475 -4.590 1.00 0.00 C ATOM 1329 CZ TYR A 88 1.650 9.059 -3.922 1.00 0.00 C ATOM 1330 OH TYR A 88 1.894 9.974 -2.924 1.00 0.00 O ATOM 0 H TYR A 88 1.031 3.766 -5.716 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.103 5.692 -6.405 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.815 5.685 -7.276 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.578 6.736 -7.936 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.910 7.558 -5.506 1.00 0.00 H new ATOM 0 HD2 TYR A 88 3.284 7.100 -6.113 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.473 9.190 -3.722 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.721 8.734 -4.332 1.00 0.00 H new ATOM 0 HH TYR A 88 2.861 10.092 -2.818 1.00 0.00 H new ATOM 1340 N SER A 89 -0.752 3.009 -7.611 1.00 0.00 N ATOM 1341 CA SER A 89 -1.047 2.052 -8.670 1.00 0.00 C ATOM 1342 C SER A 89 -2.381 2.372 -9.337 1.00 0.00 C ATOM 1343 O SER A 89 -3.439 1.959 -8.863 1.00 0.00 O ATOM 1344 CB SER A 89 -1.075 0.629 -8.109 1.00 0.00 C ATOM 1345 OG SER A 89 -2.231 0.414 -7.319 1.00 0.00 O ATOM 0 H SER A 89 -0.780 2.617 -6.670 1.00 0.00 H new ATOM 0 HA SER A 89 -0.259 2.125 -9.419 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.053 -0.089 -8.929 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.183 0.454 -7.508 1.00 0.00 H new ATOM 0 HG SER A 89 -3.031 0.607 -7.851 1.00 0.00 H new