USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 329 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 33 ASN : amide:sc= 0.982 K(o=2,f=-0.28) USER MOD Set 1.2: A 37 GLN : amide:sc= 0.995 K(o=2,f=0.12) USER MOD Set 1.3: A 63 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 56 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 60 MET CE :methyl -163:sc= -2.09 (180deg=-3.86) USER MOD Set 3.1: A 42 ASN : amide:sc= 1.41 K(o=2.1,f=-1.6) USER MOD Set 3.2: A 45 LYS NZ :NH3+ -177:sc= 0.696 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 44 THR OG1 : rot 62:sc= 1.28 USER MOD Single : A 46 ASN : amide:sc= -1.7 K(o=-1.7,f=-4.3!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.28) USER MOD Single : A 57 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 58 MET CE :methyl 170:sc= 0 (180deg=-0.114) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 176:sc= 0 (180deg=-0.0389) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -50:sc= 0.0857 USER MOD ----------------------------------------------------------------- ATOM 461 N LEU A 32 50.015 -12.346 16.544 1.00 10.00 N ATOM 462 CA LEU A 32 49.231 -12.789 15.385 1.00 10.00 C ATOM 463 C LEU A 32 50.153 -13.137 14.203 1.00 10.00 C ATOM 464 O LEU A 32 49.986 -14.154 13.532 1.00 10.00 O ATOM 465 CB LEU A 32 48.250 -11.655 15.021 1.00 10.00 C ATOM 466 CG LEU A 32 46.915 -12.081 14.372 1.00 10.00 C ATOM 467 CD1 LEU A 32 46.166 -10.830 13.908 1.00 10.00 C ATOM 468 CD2 LEU A 32 47.057 -13.016 13.172 1.00 10.00 C ATOM 0 HA LEU A 32 48.675 -13.695 15.625 1.00 10.00 H new ATOM 0 HB2 LEU A 32 48.025 -11.094 15.928 1.00 10.00 H new ATOM 0 HB3 LEU A 32 48.757 -10.970 14.341 1.00 10.00 H new ATOM 0 HG LEU A 32 46.377 -12.635 15.141 1.00 10.00 H new ATOM 0 HD11 LEU A 32 45.222 -11.121 13.448 1.00 10.00 H new ATOM 0 HD12 LEU A 32 45.969 -10.185 14.764 1.00 10.00 H new ATOM 0 HD13 LEU A 32 46.773 -10.291 13.180 1.00 10.00 H new ATOM 0 HD21 LEU A 32 46.069 -13.261 12.783 1.00 10.00 H new ATOM 0 HD22 LEU A 32 47.642 -12.524 12.395 1.00 10.00 H new ATOM 0 HD23 LEU A 32 47.562 -13.931 13.481 1.00 10.00 H new ATOM 480 N ASN A 33 51.191 -12.326 13.995 1.00 10.00 N ATOM 481 CA ASN A 33 52.236 -12.630 13.012 1.00 10.00 C ATOM 482 C ASN A 33 53.039 -13.889 13.398 1.00 10.00 C ATOM 483 O ASN A 33 53.370 -14.693 12.527 1.00 10.00 O ATOM 484 CB ASN A 33 53.131 -11.398 12.799 1.00 10.00 C ATOM 485 CG ASN A 33 54.171 -11.648 11.719 1.00 10.00 C ATOM 486 OD1 ASN A 33 55.252 -12.153 11.979 1.00 10.00 O ATOM 487 ND2 ASN A 33 53.891 -11.328 10.477 1.00 10.00 N ATOM 0 H ASN A 33 51.332 -11.449 14.496 1.00 10.00 H new ATOM 0 HA ASN A 33 51.761 -12.864 12.059 1.00 10.00 H new ATOM 0 HB2 ASN A 33 52.515 -10.542 12.522 1.00 10.00 H new ATOM 0 HB3 ASN A 33 53.629 -11.142 13.734 1.00 10.00 H new ATOM 0 HD21 ASN A 33 54.574 -11.502 9.739 1.00 10.00 H new ATOM 0 HD22 ASN A 33 52.991 -10.906 10.250 1.00 10.00 H new ATOM 494 N LYS A 34 53.285 -14.123 14.692 1.00 10.00 N ATOM 495 CA LYS A 34 53.920 -15.353 15.200 1.00 10.00 C ATOM 496 C LYS A 34 53.040 -16.594 15.002 1.00 10.00 C ATOM 497 O LYS A 34 53.559 -17.637 14.610 1.00 10.00 O ATOM 498 CB LYS A 34 54.346 -15.155 16.668 1.00 10.00 C ATOM 499 CG LYS A 34 55.145 -16.326 17.271 1.00 10.00 C ATOM 500 CD LYS A 34 56.466 -16.611 16.534 1.00 10.00 C ATOM 501 CE LYS A 34 57.324 -17.661 17.255 1.00 10.00 C ATOM 502 NZ LYS A 34 56.713 -19.017 17.223 1.00 10.00 N ATOM 0 H LYS A 34 53.047 -13.458 15.428 1.00 10.00 H new ATOM 0 HA LYS A 34 54.817 -15.542 14.610 1.00 10.00 H new ATOM 0 HB2 LYS A 34 54.947 -14.249 16.738 1.00 10.00 H new ATOM 0 HB3 LYS A 34 53.453 -14.993 17.272 1.00 10.00 H new ATOM 0 HG2 LYS A 34 55.361 -16.108 18.317 1.00 10.00 H new ATOM 0 HG3 LYS A 34 54.527 -17.224 17.254 1.00 10.00 H new ATOM 0 HD2 LYS A 34 56.248 -16.956 15.523 1.00 10.00 H new ATOM 0 HD3 LYS A 34 57.033 -15.685 16.439 1.00 10.00 H new ATOM 0 HE2 LYS A 34 58.310 -17.700 16.792 1.00 10.00 H new ATOM 0 HE3 LYS A 34 57.470 -17.356 18.291 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 57.331 -19.688 17.723 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 55.783 -18.990 17.688 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 56.597 -19.322 16.236 1.00 10.00 H new ATOM 516 N GLN A 35 51.721 -16.476 15.174 1.00 10.00 N ATOM 517 CA GLN A 35 50.749 -17.524 14.813 1.00 10.00 C ATOM 518 C GLN A 35 50.811 -17.856 13.316 1.00 10.00 C ATOM 519 O GLN A 35 50.746 -19.017 12.921 1.00 10.00 O ATOM 520 CB GLN A 35 49.308 -17.107 15.163 1.00 10.00 C ATOM 521 CG GLN A 35 48.996 -17.040 16.663 1.00 10.00 C ATOM 522 CD GLN A 35 47.544 -16.630 16.916 1.00 10.00 C ATOM 523 OE1 GLN A 35 46.604 -17.227 16.404 1.00 10.00 O ATOM 524 NE2 GLN A 35 47.278 -15.611 17.703 1.00 10.00 N ATOM 0 H GLN A 35 51.288 -15.643 15.572 1.00 10.00 H new ATOM 0 HA GLN A 35 51.021 -18.406 15.393 1.00 10.00 H new ATOM 0 HB2 GLN A 35 49.112 -16.129 14.723 1.00 10.00 H new ATOM 0 HB3 GLN A 35 48.619 -17.810 14.696 1.00 10.00 H new ATOM 0 HG2 GLN A 35 49.185 -18.012 17.119 1.00 10.00 H new ATOM 0 HG3 GLN A 35 49.666 -16.327 17.143 1.00 10.00 H new ATOM 0 HE21 GLN A 35 48.039 -15.095 18.144 1.00 10.00 H new ATOM 0 HE22 GLN A 35 46.310 -15.337 17.873 1.00 10.00 H new ATOM 533 N LEU A 36 50.973 -16.836 12.474 1.00 10.00 N ATOM 534 CA LEU A 36 51.077 -16.991 11.025 1.00 10.00 C ATOM 535 C LEU A 36 52.413 -17.598 10.581 1.00 10.00 C ATOM 536 O LEU A 36 52.421 -18.459 9.705 1.00 10.00 O ATOM 537 CB LEU A 36 50.790 -15.643 10.383 1.00 10.00 C ATOM 538 CG LEU A 36 50.631 -15.739 8.862 1.00 10.00 C ATOM 539 CD1 LEU A 36 49.579 -16.718 8.344 1.00 10.00 C ATOM 540 CD2 LEU A 36 50.186 -14.359 8.424 1.00 10.00 C ATOM 0 H LEU A 36 51.036 -15.866 12.784 1.00 10.00 H new ATOM 0 HA LEU A 36 50.336 -17.714 10.686 1.00 10.00 H new ATOM 0 HB2 LEU A 36 49.880 -15.225 10.814 1.00 10.00 H new ATOM 0 HB3 LEU A 36 51.600 -14.953 10.617 1.00 10.00 H new ATOM 0 HG LEU A 36 51.581 -16.099 8.468 1.00 10.00 H new ATOM 0 HD11 LEU A 36 49.564 -16.693 7.254 1.00 10.00 H new ATOM 0 HD12 LEU A 36 49.823 -17.726 8.681 1.00 10.00 H new ATOM 0 HD13 LEU A 36 48.599 -16.435 8.727 1.00 10.00 H new ATOM 0 HD21 LEU A 36 50.050 -14.347 7.343 1.00 10.00 H new ATOM 0 HD22 LEU A 36 49.243 -14.109 8.911 1.00 10.00 H new ATOM 0 HD23 LEU A 36 50.944 -13.627 8.703 1.00 10.00 H new ATOM 552 N GLN A 37 53.525 -17.232 11.220 1.00 10.00 N ATOM 553 CA GLN A 37 54.810 -17.910 11.019 1.00 10.00 C ATOM 554 C GLN A 37 54.781 -19.360 11.526 1.00 10.00 C ATOM 555 O GLN A 37 55.392 -20.230 10.913 1.00 10.00 O ATOM 556 CB GLN A 37 55.954 -17.135 11.692 1.00 10.00 C ATOM 557 CG GLN A 37 56.300 -15.820 10.973 1.00 10.00 C ATOM 558 CD GLN A 37 57.547 -15.164 11.570 1.00 10.00 C ATOM 559 OE1 GLN A 37 58.626 -15.742 11.621 1.00 10.00 O ATOM 560 NE2 GLN A 37 57.470 -13.939 12.043 1.00 10.00 N ATOM 0 H GLN A 37 53.563 -16.462 11.888 1.00 10.00 H new ATOM 0 HA GLN A 37 54.989 -17.937 9.944 1.00 10.00 H new ATOM 0 HB2 GLN A 37 55.678 -16.916 12.724 1.00 10.00 H new ATOM 0 HB3 GLN A 37 56.841 -17.767 11.727 1.00 10.00 H new ATOM 0 HG2 GLN A 37 56.463 -16.016 9.913 1.00 10.00 H new ATOM 0 HG3 GLN A 37 55.457 -15.133 11.044 1.00 10.00 H new ATOM 0 HE21 GLN A 37 56.584 -13.435 12.013 1.00 10.00 H new ATOM 0 HE22 GLN A 37 58.297 -13.493 12.440 1.00 10.00 H new ATOM 569 N ASP A 38 54.029 -19.656 12.590 1.00 10.00 N ATOM 570 CA ASP A 38 53.763 -21.036 13.025 1.00 10.00 C ATOM 571 C ASP A 38 52.920 -21.808 11.995 1.00 10.00 C ATOM 572 O ASP A 38 53.203 -22.975 11.713 1.00 10.00 O ATOM 573 CB ASP A 38 53.118 -21.046 14.417 1.00 10.00 C ATOM 574 CG ASP A 38 53.020 -22.473 14.978 1.00 10.00 C ATOM 575 OD1 ASP A 38 54.039 -22.988 15.496 1.00 10.00 O ATOM 576 OD2 ASP A 38 51.925 -23.079 14.915 1.00 10.00 O ATOM 0 H ASP A 38 53.586 -18.948 13.176 1.00 10.00 H new ATOM 0 HA ASP A 38 54.718 -21.557 13.095 1.00 10.00 H new ATOM 0 HB2 ASP A 38 53.704 -20.426 15.096 1.00 10.00 H new ATOM 0 HB3 ASP A 38 52.122 -20.606 14.362 1.00 10.00 H new ATOM 581 N ALA A 39 51.953 -21.147 11.346 1.00 10.00 N ATOM 582 CA ALA A 39 51.244 -21.723 10.201 1.00 10.00 C ATOM 583 C ALA A 39 52.217 -22.037 9.066 1.00 10.00 C ATOM 584 O ALA A 39 52.230 -23.149 8.546 1.00 10.00 O ATOM 585 CB ALA A 39 50.113 -20.815 9.683 1.00 10.00 C ATOM 0 H ALA A 39 51.644 -20.208 11.598 1.00 10.00 H new ATOM 0 HA ALA A 39 50.785 -22.646 10.555 1.00 10.00 H new ATOM 0 HB1 ALA A 39 49.623 -21.292 8.835 1.00 10.00 H new ATOM 0 HB2 ALA A 39 49.385 -20.651 10.478 1.00 10.00 H new ATOM 0 HB3 ALA A 39 50.530 -19.858 9.370 1.00 10.00 H new ATOM 591 N GLN A 40 53.073 -21.072 8.736 1.00 10.00 N ATOM 592 CA GLN A 40 54.077 -21.158 7.682 1.00 10.00 C ATOM 593 C GLN A 40 55.162 -22.194 7.991 1.00 10.00 C ATOM 594 O GLN A 40 55.771 -22.696 7.058 1.00 10.00 O ATOM 595 CB GLN A 40 54.689 -19.759 7.473 1.00 10.00 C ATOM 596 CG GLN A 40 55.343 -19.601 6.090 1.00 10.00 C ATOM 597 CD GLN A 40 55.856 -18.180 5.840 1.00 10.00 C ATOM 598 OE1 GLN A 40 55.210 -17.183 6.139 1.00 10.00 O ATOM 599 NE2 GLN A 40 57.036 -18.022 5.277 1.00 10.00 N ATOM 0 H GLN A 40 53.085 -20.172 9.217 1.00 10.00 H new ATOM 0 HA GLN A 40 53.593 -21.495 6.766 1.00 10.00 H new ATOM 0 HB2 GLN A 40 53.911 -19.005 7.591 1.00 10.00 H new ATOM 0 HB3 GLN A 40 55.434 -19.573 8.247 1.00 10.00 H new ATOM 0 HG2 GLN A 40 56.172 -20.303 6.002 1.00 10.00 H new ATOM 0 HG3 GLN A 40 54.620 -19.863 5.318 1.00 10.00 H new ATOM 0 HE21 GLN A 40 57.592 -18.838 5.020 1.00 10.00 H new ATOM 0 HE22 GLN A 40 57.394 -17.084 5.098 1.00 10.00 H new ATOM 608 N ALA A 41 55.423 -22.534 9.255 1.00 10.00 N ATOM 609 CA ALA A 41 56.280 -23.659 9.652 1.00 10.00 C ATOM 610 C ALA A 41 55.599 -25.033 9.597 1.00 10.00 C ATOM 611 O ALA A 41 56.246 -25.993 9.186 1.00 10.00 O ATOM 612 CB ALA A 41 56.919 -23.384 11.004 1.00 10.00 C ATOM 0 H ALA A 41 55.037 -22.025 10.050 1.00 10.00 H new ATOM 0 HA ALA A 41 57.065 -23.725 8.898 1.00 10.00 H new ATOM 0 HB1 ALA A 41 57.551 -24.226 11.286 1.00 10.00 H new ATOM 0 HB2 ALA A 41 57.525 -22.480 10.943 1.00 10.00 H new ATOM 0 HB3 ALA A 41 56.140 -23.249 11.754 1.00 10.00 H new ATOM 618 N ASN A 42 54.310 -25.158 9.940 1.00 10.00 N ATOM 619 CA ASN A 42 53.566 -26.397 9.666 1.00 10.00 C ATOM 620 C ASN A 42 53.458 -26.579 8.147 1.00 10.00 C ATOM 621 O ASN A 42 53.548 -27.698 7.641 1.00 10.00 O ATOM 622 CB ASN A 42 52.194 -26.405 10.368 1.00 10.00 C ATOM 623 CG ASN A 42 52.317 -26.607 11.870 1.00 10.00 C ATOM 624 OD1 ASN A 42 52.352 -27.728 12.360 1.00 10.00 O ATOM 625 ND2 ASN A 42 52.417 -25.557 12.648 1.00 10.00 N ATOM 0 H ASN A 42 53.766 -24.429 10.401 1.00 10.00 H new ATOM 0 HA ASN A 42 54.105 -27.249 10.080 1.00 10.00 H new ATOM 0 HB2 ASN A 42 51.682 -25.463 10.171 1.00 10.00 H new ATOM 0 HB3 ASN A 42 51.577 -27.198 9.946 1.00 10.00 H new ATOM 0 HD21 ASN A 42 52.523 -25.677 13.655 1.00 10.00 H new ATOM 0 HD22 ASN A 42 52.389 -24.620 12.246 1.00 10.00 H new ATOM 632 N LEU A 43 53.376 -25.464 7.417 1.00 10.00 N ATOM 633 CA LEU A 43 53.495 -25.433 5.982 1.00 10.00 C ATOM 634 C LEU A 43 54.929 -25.697 5.534 1.00 10.00 C ATOM 635 O LEU A 43 55.132 -26.416 4.583 1.00 10.00 O ATOM 636 CB LEU A 43 52.946 -24.095 5.454 1.00 10.00 C ATOM 637 CG LEU A 43 52.362 -24.279 4.065 1.00 10.00 C ATOM 638 CD1 LEU A 43 51.093 -25.100 4.201 1.00 10.00 C ATOM 639 CD2 LEU A 43 51.954 -22.981 3.391 1.00 10.00 C ATOM 0 H LEU A 43 53.221 -24.544 7.829 1.00 10.00 H new ATOM 0 HA LEU A 43 52.898 -26.237 5.553 1.00 10.00 H new ATOM 0 HB2 LEU A 43 52.181 -23.715 6.131 1.00 10.00 H new ATOM 0 HB3 LEU A 43 53.743 -23.352 5.426 1.00 10.00 H new ATOM 0 HG LEU A 43 53.138 -24.748 3.461 1.00 10.00 H new ATOM 0 HD11 LEU A 43 50.649 -25.249 3.217 1.00 10.00 H new ATOM 0 HD12 LEU A 43 51.331 -26.068 4.642 1.00 10.00 H new ATOM 0 HD13 LEU A 43 50.386 -24.573 4.842 1.00 10.00 H new ATOM 0 HD21 LEU A 43 51.546 -23.196 2.403 1.00 10.00 H new ATOM 0 HD22 LEU A 43 51.197 -22.480 3.995 1.00 10.00 H new ATOM 0 HD23 LEU A 43 52.825 -22.334 3.291 1.00 10.00 H new ATOM 651 N THR A 44 55.957 -25.237 6.230 1.00 10.00 N ATOM 652 CA THR A 44 57.342 -25.561 5.853 1.00 10.00 C ATOM 653 C THR A 44 57.609 -27.064 5.984 1.00 10.00 C ATOM 654 O THR A 44 58.296 -27.666 5.155 1.00 10.00 O ATOM 655 CB THR A 44 58.369 -24.778 6.673 1.00 10.00 C ATOM 656 OG1 THR A 44 58.306 -23.402 6.364 1.00 10.00 O ATOM 657 CG2 THR A 44 59.781 -25.236 6.354 1.00 10.00 C ATOM 0 H THR A 44 55.870 -24.642 7.054 1.00 10.00 H new ATOM 0 HA THR A 44 57.456 -25.265 4.810 1.00 10.00 H new ATOM 0 HB THR A 44 58.136 -24.953 7.723 1.00 10.00 H new ATOM 0 HG1 THR A 44 57.420 -23.054 6.598 1.00 10.00 H new ATOM 0 HG21 THR A 44 60.492 -24.664 6.950 1.00 10.00 H new ATOM 0 HG22 THR A 44 59.881 -26.296 6.588 1.00 10.00 H new ATOM 0 HG23 THR A 44 59.984 -25.077 5.295 1.00 10.00 H new ATOM 665 N LYS A 45 57.026 -27.677 7.017 1.00 10.00 N ATOM 666 CA LYS A 45 57.029 -29.116 7.271 1.00 10.00 C ATOM 667 C LYS A 45 56.393 -29.918 6.126 1.00 10.00 C ATOM 668 O LYS A 45 56.904 -30.985 5.780 1.00 10.00 O ATOM 669 CB LYS A 45 56.400 -29.320 8.668 1.00 10.00 C ATOM 670 CG LYS A 45 55.652 -30.638 8.906 1.00 10.00 C ATOM 671 CD LYS A 45 55.327 -30.909 10.385 1.00 10.00 C ATOM 672 CE LYS A 45 54.414 -29.823 10.967 1.00 10.00 C ATOM 673 NZ LYS A 45 53.919 -30.158 12.327 1.00 10.00 N ATOM 0 H LYS A 45 56.516 -27.157 7.731 1.00 10.00 H new ATOM 0 HA LYS A 45 58.040 -29.522 7.290 1.00 10.00 H new ATOM 0 HB2 LYS A 45 57.193 -29.241 9.412 1.00 10.00 H new ATOM 0 HB3 LYS A 45 55.707 -28.499 8.851 1.00 10.00 H new ATOM 0 HG2 LYS A 45 54.723 -30.626 8.336 1.00 10.00 H new ATOM 0 HG3 LYS A 45 56.253 -31.461 8.519 1.00 10.00 H new ATOM 0 HD2 LYS A 45 54.844 -31.882 10.480 1.00 10.00 H new ATOM 0 HD3 LYS A 45 56.252 -30.955 10.960 1.00 10.00 H new ATOM 0 HE2 LYS A 45 54.958 -28.879 11.005 1.00 10.00 H new ATOM 0 HE3 LYS A 45 53.563 -29.674 10.302 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 53.267 -29.416 12.652 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 53.419 -31.070 12.300 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 54.723 -30.223 12.983 1.00 10.00 H new ATOM 687 N ASN A 46 55.346 -29.385 5.493 1.00 10.00 N ATOM 688 CA ASN A 46 54.759 -29.896 4.264 1.00 10.00 C ATOM 689 C ASN A 46 54.093 -28.776 3.425 1.00 10.00 C ATOM 690 O ASN A 46 52.929 -28.448 3.675 1.00 10.00 O ATOM 691 CB ASN A 46 53.845 -31.061 4.625 1.00 10.00 C ATOM 692 CG ASN A 46 53.377 -31.842 3.399 1.00 10.00 C ATOM 693 OD1 ASN A 46 53.397 -31.378 2.267 1.00 10.00 O ATOM 694 ND2 ASN A 46 52.985 -33.084 3.575 1.00 10.00 N ATOM 0 H ASN A 46 54.869 -28.553 5.840 1.00 10.00 H new ATOM 0 HA ASN A 46 55.532 -30.278 3.597 1.00 10.00 H new ATOM 0 HB2 ASN A 46 54.371 -31.735 5.301 1.00 10.00 H new ATOM 0 HB3 ASN A 46 52.976 -30.683 5.164 1.00 10.00 H new ATOM 0 HD21 ASN A 46 52.702 -33.648 2.773 1.00 10.00 H new ATOM 0 HD22 ASN A 46 52.963 -33.484 4.513 1.00 10.00 H new ATOM 701 N PRO A 47 54.834 -28.154 2.474 1.00 10.00 N ATOM 702 CA PRO A 47 54.426 -26.941 1.750 1.00 10.00 C ATOM 703 C PRO A 47 53.029 -26.894 1.140 1.00 10.00 C ATOM 704 O PRO A 47 52.476 -25.800 1.014 1.00 10.00 O ATOM 705 CB PRO A 47 55.507 -26.715 0.711 1.00 10.00 C ATOM 706 CG PRO A 47 56.772 -27.191 1.418 1.00 10.00 C ATOM 707 CD PRO A 47 56.282 -28.309 2.337 1.00 10.00 C ATOM 0 HA PRO A 47 54.334 -26.141 2.485 1.00 10.00 H new ATOM 0 HB2 PRO A 47 55.316 -27.283 -0.199 1.00 10.00 H new ATOM 0 HB3 PRO A 47 55.577 -25.666 0.423 1.00 10.00 H new ATOM 0 HG2 PRO A 47 57.514 -27.555 0.707 1.00 10.00 H new ATOM 0 HG3 PRO A 47 57.240 -26.386 1.984 1.00 10.00 H new ATOM 0 HD2 PRO A 47 56.526 -29.285 1.919 1.00 10.00 H new ATOM 0 HD3 PRO A 47 56.769 -28.248 3.310 1.00 10.00 H new ATOM 715 N SER A 48 52.429 -28.037 0.802 1.00 10.00 N ATOM 716 CA SER A 48 51.046 -28.120 0.377 1.00 10.00 C ATOM 717 C SER A 48 50.191 -29.169 1.084 1.00 10.00 C ATOM 718 O SER A 48 49.209 -29.671 0.531 1.00 10.00 O ATOM 719 CB SER A 48 51.034 -28.168 -1.136 1.00 10.00 C ATOM 720 OG SER A 48 51.565 -29.389 -1.637 1.00 10.00 O ATOM 0 H SER A 48 52.904 -28.939 0.819 1.00 10.00 H new ATOM 0 HA SER A 48 50.522 -27.223 0.707 1.00 10.00 H new ATOM 0 HB2 SER A 48 50.012 -28.044 -1.494 1.00 10.00 H new ATOM 0 HB3 SER A 48 51.613 -27.333 -1.529 1.00 10.00 H new ATOM 0 HG SER A 48 51.538 -29.380 -2.617 1.00 10.00 H new ATOM 726 N ASP A 49 50.550 -29.483 2.331 1.00 10.00 N ATOM 727 CA ASP A 49 49.688 -30.264 3.223 1.00 10.00 C ATOM 728 C ASP A 49 48.397 -29.444 3.386 1.00 10.00 C ATOM 729 O ASP A 49 48.460 -28.263 3.731 1.00 10.00 O ATOM 730 CB ASP A 49 50.380 -30.563 4.556 1.00 10.00 C ATOM 731 CG ASP A 49 49.427 -31.131 5.627 1.00 10.00 C ATOM 732 OD1 ASP A 49 48.523 -30.405 6.102 1.00 10.00 O ATOM 733 OD2 ASP A 49 49.567 -32.325 5.979 1.00 10.00 O ATOM 0 H ASP A 49 51.438 -29.206 2.749 1.00 10.00 H new ATOM 0 HA ASP A 49 49.462 -31.246 2.808 1.00 10.00 H new ATOM 0 HB2 ASP A 49 51.188 -31.274 4.386 1.00 10.00 H new ATOM 0 HB3 ASP A 49 50.835 -29.648 4.934 1.00 10.00 H new ATOM 738 N PRO A 50 47.221 -30.017 3.111 1.00 10.00 N ATOM 739 CA PRO A 50 46.003 -29.237 3.009 1.00 10.00 C ATOM 740 C PRO A 50 45.479 -28.664 4.318 1.00 10.00 C ATOM 741 O PRO A 50 44.836 -27.623 4.276 1.00 10.00 O ATOM 742 CB PRO A 50 44.993 -30.167 2.369 1.00 10.00 C ATOM 743 CG PRO A 50 45.477 -31.574 2.729 1.00 10.00 C ATOM 744 CD PRO A 50 46.992 -31.415 2.820 1.00 10.00 C ATOM 0 HA PRO A 50 46.201 -28.340 2.422 1.00 10.00 H new ATOM 0 HB2 PRO A 50 43.989 -29.984 2.751 1.00 10.00 H new ATOM 0 HB3 PRO A 50 44.954 -30.026 1.289 1.00 10.00 H new ATOM 0 HG2 PRO A 50 45.052 -31.916 3.672 1.00 10.00 H new ATOM 0 HG3 PRO A 50 45.194 -32.303 1.969 1.00 10.00 H new ATOM 0 HD2 PRO A 50 47.406 -32.051 3.602 1.00 10.00 H new ATOM 0 HD3 PRO A 50 47.473 -31.705 1.886 1.00 10.00 H new ATOM 752 N THR A 51 45.755 -29.272 5.472 1.00 10.00 N ATOM 753 CA THR A 51 45.440 -28.674 6.780 1.00 10.00 C ATOM 754 C THR A 51 46.450 -27.602 7.146 1.00 10.00 C ATOM 755 O THR A 51 46.044 -26.553 7.623 1.00 10.00 O ATOM 756 CB THR A 51 45.410 -29.754 7.855 1.00 10.00 C ATOM 757 OG1 THR A 51 44.202 -30.483 7.768 1.00 10.00 O ATOM 758 CG2 THR A 51 45.541 -29.224 9.280 1.00 10.00 C ATOM 0 H THR A 51 46.201 -30.188 5.532 1.00 10.00 H new ATOM 0 HA THR A 51 44.457 -28.207 6.714 1.00 10.00 H new ATOM 0 HB THR A 51 46.280 -30.381 7.661 1.00 10.00 H new ATOM 0 HG1 THR A 51 44.188 -31.177 8.460 1.00 10.00 H new ATOM 0 HG21 THR A 51 45.510 -30.057 9.982 1.00 10.00 H new ATOM 0 HG22 THR A 51 46.488 -28.695 9.386 1.00 10.00 H new ATOM 0 HG23 THR A 51 44.718 -28.541 9.491 1.00 10.00 H new ATOM 766 N ALA A 52 47.741 -27.798 6.889 1.00 10.00 N ATOM 767 CA ALA A 52 48.751 -26.750 7.008 1.00 10.00 C ATOM 768 C ALA A 52 48.409 -25.534 6.154 1.00 10.00 C ATOM 769 O ALA A 52 48.526 -24.397 6.613 1.00 10.00 O ATOM 770 CB ALA A 52 50.094 -27.374 6.607 1.00 10.00 C ATOM 0 H ALA A 52 48.119 -28.697 6.590 1.00 10.00 H new ATOM 0 HA ALA A 52 48.797 -26.379 8.032 1.00 10.00 H new ATOM 0 HB1 ALA A 52 50.881 -26.623 6.681 1.00 10.00 H new ATOM 0 HB2 ALA A 52 50.322 -28.206 7.273 1.00 10.00 H new ATOM 0 HB3 ALA A 52 50.035 -27.737 5.581 1.00 10.00 H new ATOM 776 N LEU A 53 47.949 -25.772 4.934 1.00 10.00 N ATOM 777 CA LEU A 53 47.627 -24.732 3.973 1.00 10.00 C ATOM 778 C LEU A 53 46.266 -24.104 4.282 1.00 10.00 C ATOM 779 O LEU A 53 46.129 -22.889 4.198 1.00 10.00 O ATOM 780 CB LEU A 53 47.764 -25.377 2.588 1.00 10.00 C ATOM 781 CG LEU A 53 47.945 -24.465 1.366 1.00 10.00 C ATOM 782 CD1 LEU A 53 48.504 -23.087 1.676 1.00 10.00 C ATOM 783 CD2 LEU A 53 48.964 -25.148 0.457 1.00 10.00 C ATOM 0 H LEU A 53 47.786 -26.714 4.579 1.00 10.00 H new ATOM 0 HA LEU A 53 48.305 -23.880 4.019 1.00 10.00 H new ATOM 0 HB2 LEU A 53 48.615 -26.057 2.622 1.00 10.00 H new ATOM 0 HB3 LEU A 53 46.876 -25.986 2.418 1.00 10.00 H new ATOM 0 HG LEU A 53 46.956 -24.320 0.930 1.00 10.00 H new ATOM 0 HD11 LEU A 53 48.596 -22.516 0.752 1.00 10.00 H new ATOM 0 HD12 LEU A 53 47.832 -22.567 2.359 1.00 10.00 H new ATOM 0 HD13 LEU A 53 49.485 -23.188 2.140 1.00 10.00 H new ATOM 0 HD21 LEU A 53 49.128 -24.536 -0.430 1.00 10.00 H new ATOM 0 HD22 LEU A 53 49.905 -25.270 0.993 1.00 10.00 H new ATOM 0 HD23 LEU A 53 48.587 -26.126 0.158 1.00 10.00 H new ATOM 795 N ALA A 54 45.296 -24.891 4.752 1.00 10.00 N ATOM 796 CA ALA A 54 44.036 -24.395 5.299 1.00 10.00 C ATOM 797 C ALA A 54 44.280 -23.517 6.534 1.00 10.00 C ATOM 798 O ALA A 54 43.677 -22.457 6.680 1.00 10.00 O ATOM 799 CB ALA A 54 43.147 -25.592 5.673 1.00 10.00 C ATOM 0 H ALA A 54 45.368 -25.908 4.762 1.00 10.00 H new ATOM 0 HA ALA A 54 43.540 -23.784 4.545 1.00 10.00 H new ATOM 0 HB1 ALA A 54 42.204 -25.231 6.082 1.00 10.00 H new ATOM 0 HB2 ALA A 54 42.951 -26.191 4.784 1.00 10.00 H new ATOM 0 HB3 ALA A 54 43.655 -26.204 6.418 1.00 10.00 H new ATOM 805 N ASN A 55 45.202 -23.939 7.401 1.00 10.00 N ATOM 806 CA ASN A 55 45.595 -23.249 8.621 1.00 10.00 C ATOM 807 C ASN A 55 46.270 -21.915 8.300 1.00 10.00 C ATOM 808 O ASN A 55 45.823 -20.863 8.746 1.00 10.00 O ATOM 809 CB ASN A 55 46.531 -24.184 9.401 1.00 10.00 C ATOM 810 CG ASN A 55 47.162 -23.584 10.629 1.00 10.00 C ATOM 811 OD1 ASN A 55 46.501 -23.182 11.573 1.00 10.00 O ATOM 812 ND2 ASN A 55 48.472 -23.552 10.644 1.00 10.00 N ATOM 0 H ASN A 55 45.715 -24.810 7.262 1.00 10.00 H new ATOM 0 HA ASN A 55 44.720 -23.013 9.226 1.00 10.00 H new ATOM 0 HB2 ASN A 55 45.969 -25.070 9.697 1.00 10.00 H new ATOM 0 HB3 ASN A 55 47.324 -24.519 8.732 1.00 10.00 H new ATOM 0 HD21 ASN A 55 48.964 -23.185 11.459 1.00 10.00 H new ATOM 0 HD22 ASN A 55 49.000 -23.895 9.841 1.00 10.00 H new ATOM 819 N TYR A 56 47.305 -21.959 7.462 1.00 10.00 N ATOM 820 CA TYR A 56 47.950 -20.760 6.914 1.00 10.00 C ATOM 821 C TYR A 56 46.972 -19.833 6.201 1.00 10.00 C ATOM 822 O TYR A 56 46.978 -18.646 6.495 1.00 10.00 O ATOM 823 CB TYR A 56 49.147 -21.199 6.057 1.00 10.00 C ATOM 824 CG TYR A 56 49.811 -20.200 5.132 1.00 10.00 C ATOM 825 CD1 TYR A 56 49.360 -20.077 3.803 1.00 10.00 C ATOM 826 CD2 TYR A 56 50.990 -19.547 5.539 1.00 10.00 C ATOM 827 CE1 TYR A 56 50.099 -19.320 2.874 1.00 10.00 C ATOM 828 CE2 TYR A 56 51.739 -18.799 4.611 1.00 10.00 C ATOM 829 CZ TYR A 56 51.301 -18.694 3.271 1.00 10.00 C ATOM 830 OH TYR A 56 52.030 -17.997 2.356 1.00 10.00 O ATOM 0 H TYR A 56 47.724 -22.831 7.140 1.00 10.00 H new ATOM 0 HA TYR A 56 48.327 -20.142 7.729 1.00 10.00 H new ATOM 0 HB2 TYR A 56 49.913 -21.575 6.735 1.00 10.00 H new ATOM 0 HB3 TYR A 56 48.820 -22.041 5.447 1.00 10.00 H new ATOM 0 HD1 TYR A 56 48.446 -20.564 3.496 1.00 10.00 H new ATOM 0 HD2 TYR A 56 51.320 -19.620 6.565 1.00 10.00 H new ATOM 0 HE1 TYR A 56 49.747 -19.218 1.858 1.00 10.00 H new ATOM 0 HE2 TYR A 56 52.648 -18.306 4.923 1.00 10.00 H new ATOM 0 HH TYR A 56 52.828 -17.626 2.787 1.00 10.00 H new ATOM 840 N GLN A 57 46.055 -20.333 5.375 1.00 10.00 N ATOM 841 CA GLN A 57 45.044 -19.483 4.731 1.00 10.00 C ATOM 842 C GLN A 57 44.059 -18.864 5.739 1.00 10.00 C ATOM 843 O GLN A 57 43.725 -17.685 5.622 1.00 10.00 O ATOM 844 CB GLN A 57 44.292 -20.254 3.633 1.00 10.00 C ATOM 845 CG GLN A 57 45.130 -20.437 2.357 1.00 10.00 C ATOM 846 CD GLN A 57 45.340 -19.127 1.596 1.00 10.00 C ATOM 847 OE1 GLN A 57 44.459 -18.626 0.911 1.00 10.00 O ATOM 848 NE2 GLN A 57 46.504 -18.515 1.684 1.00 10.00 N ATOM 0 H GLN A 57 45.988 -21.322 5.133 1.00 10.00 H new ATOM 0 HA GLN A 57 45.582 -18.656 4.268 1.00 10.00 H new ATOM 0 HB2 GLN A 57 44.002 -21.232 4.016 1.00 10.00 H new ATOM 0 HB3 GLN A 57 43.373 -19.723 3.386 1.00 10.00 H new ATOM 0 HG2 GLN A 57 46.100 -20.858 2.621 1.00 10.00 H new ATOM 0 HG3 GLN A 57 44.637 -21.157 1.704 1.00 10.00 H new ATOM 0 HE21 GLN A 57 47.250 -18.918 2.251 1.00 10.00 H new ATOM 0 HE22 GLN A 57 46.658 -17.639 1.186 1.00 10.00 H new ATOM 857 N MET A 58 43.631 -19.614 6.759 1.00 10.00 N ATOM 858 CA MET A 58 42.728 -19.141 7.817 1.00 10.00 C ATOM 859 C MET A 58 43.373 -18.069 8.700 1.00 10.00 C ATOM 860 O MET A 58 42.782 -17.013 8.937 1.00 10.00 O ATOM 861 CB MET A 58 42.280 -20.355 8.648 1.00 10.00 C ATOM 862 CG MET A 58 41.326 -20.001 9.795 1.00 10.00 C ATOM 863 SD MET A 58 40.773 -21.420 10.784 1.00 10.00 S ATOM 864 CE MET A 58 42.323 -21.882 11.612 1.00 10.00 C ATOM 0 H MET A 58 43.908 -20.589 6.876 1.00 10.00 H new ATOM 0 HA MET A 58 41.863 -18.663 7.356 1.00 10.00 H new ATOM 0 HB2 MET A 58 41.791 -21.074 7.990 1.00 10.00 H new ATOM 0 HB3 MET A 58 43.161 -20.847 9.059 1.00 10.00 H new ATOM 0 HG2 MET A 58 41.820 -19.286 10.453 1.00 10.00 H new ATOM 0 HG3 MET A 58 40.451 -19.500 9.381 1.00 10.00 H new ATOM 0 HE1 MET A 58 42.116 -22.621 12.386 1.00 10.00 H new ATOM 0 HE2 MET A 58 43.013 -22.305 10.882 1.00 10.00 H new ATOM 0 HE3 MET A 58 42.771 -20.998 12.065 1.00 10.00 H new ATOM 874 N ILE A 59 44.604 -18.306 9.156 1.00 10.00 N ATOM 875 CA ILE A 59 45.364 -17.365 9.962 1.00 10.00 C ATOM 876 C ILE A 59 45.760 -16.151 9.118 1.00 10.00 C ATOM 877 O ILE A 59 45.716 -15.033 9.615 1.00 10.00 O ATOM 878 CB ILE A 59 46.571 -18.102 10.570 1.00 10.00 C ATOM 879 CG1 ILE A 59 46.127 -19.210 11.553 1.00 10.00 C ATOM 880 CG2 ILE A 59 47.487 -17.149 11.336 1.00 10.00 C ATOM 881 CD1 ILE A 59 47.301 -20.063 12.036 1.00 10.00 C ATOM 0 H ILE A 59 45.105 -19.175 8.969 1.00 10.00 H new ATOM 0 HA ILE A 59 44.762 -16.979 10.785 1.00 10.00 H new ATOM 0 HB ILE A 59 47.106 -18.540 9.728 1.00 10.00 H new ATOM 0 HG12 ILE A 59 45.634 -18.754 12.412 1.00 10.00 H new ATOM 0 HG13 ILE A 59 45.391 -19.851 11.067 1.00 10.00 H new ATOM 0 HG21 ILE A 59 48.327 -17.706 11.750 1.00 10.00 H new ATOM 0 HG22 ILE A 59 47.860 -16.380 10.659 1.00 10.00 H new ATOM 0 HG23 ILE A 59 46.928 -16.680 12.146 1.00 10.00 H new ATOM 0 HD11 ILE A 59 46.937 -20.826 12.724 1.00 10.00 H new ATOM 0 HD12 ILE A 59 47.778 -20.542 11.181 1.00 10.00 H new ATOM 0 HD13 ILE A 59 48.025 -19.429 12.548 1.00 10.00 H new ATOM 893 N MET A 60 46.088 -16.334 7.835 1.00 10.00 N ATOM 894 CA MET A 60 46.422 -15.228 6.935 1.00 10.00 C ATOM 895 C MET A 60 45.217 -14.348 6.604 1.00 10.00 C ATOM 896 O MET A 60 45.352 -13.128 6.527 1.00 10.00 O ATOM 897 CB MET A 60 47.073 -15.742 5.652 1.00 10.00 C ATOM 898 CG MET A 60 47.856 -14.618 4.980 1.00 10.00 C ATOM 899 SD MET A 60 48.960 -15.161 3.654 1.00 10.00 S ATOM 900 CE MET A 60 50.229 -15.903 4.711 1.00 10.00 C ATOM 0 H MET A 60 46.129 -17.252 7.393 1.00 10.00 H new ATOM 0 HA MET A 60 47.137 -14.603 7.470 1.00 10.00 H new ATOM 0 HB2 MET A 60 47.739 -16.575 5.880 1.00 10.00 H new ATOM 0 HB3 MET A 60 46.309 -16.121 4.973 1.00 10.00 H new ATOM 0 HG2 MET A 60 47.150 -13.893 4.574 1.00 10.00 H new ATOM 0 HG3 MET A 60 48.445 -14.100 5.737 1.00 10.00 H new ATOM 0 HE1 MET A 60 51.147 -16.036 4.139 1.00 10.00 H new ATOM 0 HE2 MET A 60 50.423 -15.249 5.561 1.00 10.00 H new ATOM 0 HE3 MET A 60 49.882 -16.872 5.071 1.00 10.00 H new ATOM 910 N SER A 61 44.034 -14.950 6.469 1.00 10.00 N ATOM 911 CA SER A 61 42.762 -14.231 6.362 1.00 10.00 C ATOM 912 C SER A 61 42.554 -13.327 7.582 1.00 10.00 C ATOM 913 O SER A 61 42.358 -12.123 7.428 1.00 10.00 O ATOM 914 CB SER A 61 41.610 -15.230 6.191 1.00 10.00 C ATOM 915 OG SER A 61 40.386 -14.547 5.977 1.00 10.00 O ATOM 0 H SER A 61 43.930 -15.964 6.430 1.00 10.00 H new ATOM 0 HA SER A 61 42.783 -13.589 5.481 1.00 10.00 H new ATOM 0 HB2 SER A 61 41.816 -15.891 5.349 1.00 10.00 H new ATOM 0 HB3 SER A 61 41.532 -15.859 7.078 1.00 10.00 H new ATOM 0 HG SER A 61 39.662 -15.199 5.868 1.00 10.00 H new ATOM 921 N GLU A 62 42.713 -13.864 8.799 1.00 10.00 N ATOM 922 CA GLU A 62 42.632 -13.082 10.041 1.00 10.00 C ATOM 923 C GLU A 62 43.735 -12.016 10.160 1.00 10.00 C ATOM 924 O GLU A 62 43.453 -10.871 10.514 1.00 10.00 O ATOM 925 CB GLU A 62 42.634 -14.036 11.248 1.00 10.00 C ATOM 926 CG GLU A 62 42.369 -13.298 12.567 1.00 10.00 C ATOM 927 CD GLU A 62 42.152 -14.290 13.725 1.00 10.00 C ATOM 928 OE1 GLU A 62 43.139 -14.676 14.395 1.00 10.00 O ATOM 929 OE2 GLU A 62 40.986 -14.679 13.985 1.00 10.00 O ATOM 0 H GLU A 62 42.902 -14.855 8.951 1.00 10.00 H new ATOM 0 HA GLU A 62 41.695 -12.526 10.020 1.00 10.00 H new ATOM 0 HB2 GLU A 62 41.874 -14.804 11.104 1.00 10.00 H new ATOM 0 HB3 GLU A 62 43.596 -14.546 11.305 1.00 10.00 H new ATOM 0 HG2 GLU A 62 43.211 -12.645 12.797 1.00 10.00 H new ATOM 0 HG3 GLU A 62 41.491 -12.661 12.461 1.00 10.00 H new ATOM 936 N TYR A 63 44.974 -12.364 9.812 1.00 10.00 N ATOM 937 CA TYR A 63 46.134 -11.468 9.818 1.00 10.00 C ATOM 938 C TYR A 63 45.932 -10.253 8.910 1.00 10.00 C ATOM 939 O TYR A 63 46.160 -9.109 9.314 1.00 10.00 O ATOM 940 CB TYR A 63 47.378 -12.265 9.390 1.00 10.00 C ATOM 941 CG TYR A 63 48.617 -11.436 9.128 1.00 10.00 C ATOM 942 CD1 TYR A 63 49.352 -10.891 10.197 1.00 10.00 C ATOM 943 CD2 TYR A 63 49.056 -11.251 7.801 1.00 10.00 C ATOM 944 CE1 TYR A 63 50.542 -10.184 9.941 1.00 10.00 C ATOM 945 CE2 TYR A 63 50.251 -10.558 7.542 1.00 10.00 C ATOM 946 CZ TYR A 63 51.006 -10.035 8.615 1.00 10.00 C ATOM 947 OH TYR A 63 52.175 -9.378 8.391 1.00 10.00 O ATOM 0 H TYR A 63 45.207 -13.309 9.508 1.00 10.00 H new ATOM 0 HA TYR A 63 46.266 -11.081 10.828 1.00 10.00 H new ATOM 0 HB2 TYR A 63 47.607 -12.995 10.166 1.00 10.00 H new ATOM 0 HB3 TYR A 63 47.138 -12.825 8.486 1.00 10.00 H new ATOM 0 HD1 TYR A 63 49.004 -11.015 11.212 1.00 10.00 H new ATOM 0 HD2 TYR A 63 48.472 -11.643 6.981 1.00 10.00 H new ATOM 0 HE1 TYR A 63 51.101 -9.755 10.759 1.00 10.00 H new ATOM 0 HE2 TYR A 63 50.591 -10.426 6.525 1.00 10.00 H new ATOM 0 HH TYR A 63 52.360 -9.359 7.429 1.00 10.00 H new ATOM 957 N ASN A 64 45.484 -10.499 7.679 1.00 10.00 N ATOM 958 CA ASN A 64 45.331 -9.455 6.676 1.00 10.00 C ATOM 959 C ASN A 64 44.100 -8.575 6.960 1.00 10.00 C ATOM 960 O ASN A 64 44.167 -7.352 6.827 1.00 10.00 O ATOM 961 CB ASN A 64 45.285 -10.097 5.279 1.00 10.00 C ATOM 962 CG ASN A 64 45.486 -9.066 4.181 1.00 10.00 C ATOM 963 OD1 ASN A 64 46.536 -8.446 4.076 1.00 10.00 O ATOM 964 ND2 ASN A 64 44.507 -8.848 3.333 1.00 10.00 N ATOM 0 H ASN A 64 45.218 -11.428 7.353 1.00 10.00 H new ATOM 0 HA ASN A 64 46.191 -8.787 6.717 1.00 10.00 H new ATOM 0 HB2 ASN A 64 46.057 -10.863 5.205 1.00 10.00 H new ATOM 0 HB3 ASN A 64 44.326 -10.596 5.139 1.00 10.00 H new ATOM 0 HD21 ASN A 64 44.622 -8.162 2.587 1.00 10.00 H new ATOM 0 HD22 ASN A 64 43.632 -9.365 3.421 1.00 10.00 H new ATOM 1108 N VAL A 74 42.016 3.626 12.809 1.00 10.00 N ATOM 1109 CA VAL A 74 42.886 4.687 13.334 1.00 10.00 C ATOM 1110 C VAL A 74 42.755 6.007 12.552 1.00 10.00 C ATOM 1111 O VAL A 74 42.939 7.082 13.126 1.00 10.00 O ATOM 1112 CB VAL A 74 44.328 4.135 13.351 1.00 10.00 C ATOM 1113 CG1 VAL A 74 45.409 5.200 13.483 1.00 10.00 C ATOM 1114 CG2 VAL A 74 44.495 3.152 14.519 1.00 10.00 C ATOM 0 HA VAL A 74 42.582 4.951 14.347 1.00 10.00 H new ATOM 0 HB VAL A 74 44.462 3.653 12.383 1.00 10.00 H new ATOM 0 HG11 VAL A 74 46.390 4.724 13.487 1.00 10.00 H new ATOM 0 HG12 VAL A 74 45.344 5.891 12.642 1.00 10.00 H new ATOM 0 HG13 VAL A 74 45.268 5.748 14.415 1.00 10.00 H new ATOM 0 HG21 VAL A 74 45.514 2.765 14.526 1.00 10.00 H new ATOM 0 HG22 VAL A 74 44.295 3.666 15.459 1.00 10.00 H new ATOM 0 HG23 VAL A 74 43.794 2.325 14.402 1.00 10.00 H new ATOM 1124 N LYS A 75 42.372 5.944 11.268 1.00 10.00 N ATOM 1125 CA LYS A 75 42.167 7.108 10.385 1.00 10.00 C ATOM 1126 C LYS A 75 40.695 7.539 10.246 1.00 10.00 C ATOM 1127 O LYS A 75 40.426 8.533 9.567 1.00 10.00 O ATOM 1128 CB LYS A 75 42.793 6.810 9.007 1.00 10.00 C ATOM 1129 CG LYS A 75 44.303 6.501 9.036 1.00 10.00 C ATOM 1130 CD LYS A 75 45.155 7.653 9.590 1.00 10.00 C ATOM 1131 CE LYS A 75 46.643 7.302 9.475 1.00 10.00 C ATOM 1132 NZ LYS A 75 47.505 8.380 10.024 1.00 10.00 N ATOM 0 H LYS A 75 42.190 5.057 10.799 1.00 10.00 H new ATOM 0 HA LYS A 75 42.665 7.958 10.851 1.00 10.00 H new ATOM 0 HB2 LYS A 75 42.271 5.962 8.562 1.00 10.00 H new ATOM 0 HB3 LYS A 75 42.624 7.666 8.354 1.00 10.00 H new ATOM 0 HG2 LYS A 75 44.472 5.611 9.642 1.00 10.00 H new ATOM 0 HG3 LYS A 75 44.637 6.266 8.025 1.00 10.00 H new ATOM 0 HD2 LYS A 75 44.945 8.570 9.039 1.00 10.00 H new ATOM 0 HD3 LYS A 75 44.896 7.840 10.632 1.00 10.00 H new ATOM 0 HE2 LYS A 75 46.840 6.372 10.008 1.00 10.00 H new ATOM 0 HE3 LYS A 75 46.897 7.130 8.429 1.00 10.00 H new ATOM 0 HZ1 LYS A 75 48.504 8.108 9.929 1.00 10.00 H new ATOM 0 HZ2 LYS A 75 47.335 9.262 9.499 1.00 10.00 H new ATOM 0 HZ3 LYS A 75 47.280 8.527 11.029 1.00 10.00 H new ATOM 1146 N SER A 76 39.756 6.839 10.895 1.00 10.00 N ATOM 1147 CA SER A 76 38.301 7.029 10.702 1.00 10.00 C ATOM 1148 C SER A 76 37.467 7.061 11.993 1.00 10.00 C ATOM 1149 O SER A 76 36.284 7.389 11.928 1.00 10.00 O ATOM 1150 CB SER A 76 37.732 5.928 9.793 1.00 10.00 C ATOM 1151 OG SER A 76 38.494 5.758 8.608 1.00 10.00 O ATOM 0 H SER A 76 39.981 6.115 11.578 1.00 10.00 H new ATOM 0 HA SER A 76 38.217 8.016 10.248 1.00 10.00 H new ATOM 0 HB2 SER A 76 37.703 4.987 10.342 1.00 10.00 H new ATOM 0 HB3 SER A 76 36.704 6.174 9.528 1.00 10.00 H new ATOM 0 HG SER A 76 38.096 5.048 8.063 1.00 10.00 H new ATOM 1157 N MET A 77 38.041 6.742 13.160 1.00 10.00 N ATOM 1158 CA MET A 77 37.327 6.521 14.432 1.00 10.00 C ATOM 1159 C MET A 77 36.265 7.583 14.777 1.00 10.00 C ATOM 1160 O MET A 77 35.135 7.234 15.125 1.00 10.00 O ATOM 1161 CB MET A 77 38.365 6.388 15.563 1.00 10.00 C ATOM 1162 CG MET A 77 37.754 5.968 16.908 1.00 10.00 C ATOM 1163 SD MET A 77 36.803 4.417 16.913 1.00 10.00 S ATOM 1164 CE MET A 77 38.098 3.223 16.477 1.00 10.00 C ATOM 0 H MET A 77 39.050 6.626 13.252 1.00 10.00 H new ATOM 0 HA MET A 77 36.754 5.601 14.315 1.00 10.00 H new ATOM 0 HB2 MET A 77 39.118 5.656 15.270 1.00 10.00 H new ATOM 0 HB3 MET A 77 38.879 7.341 15.688 1.00 10.00 H new ATOM 0 HG2 MET A 77 38.560 5.877 17.636 1.00 10.00 H new ATOM 0 HG3 MET A 77 37.102 6.770 17.253 1.00 10.00 H new ATOM 0 HE1 MET A 77 37.688 2.214 16.509 1.00 10.00 H new ATOM 0 HE2 MET A 77 38.464 3.434 15.472 1.00 10.00 H new ATOM 0 HE3 MET A 77 38.921 3.303 17.188 1.00 10.00 H new ATOM 1174 N LYS A 78 36.595 8.874 14.633 1.00 10.00 N ATOM 1175 CA LYS A 78 35.686 10.002 14.918 1.00 10.00 C ATOM 1176 C LYS A 78 34.433 10.028 14.024 1.00 10.00 C ATOM 1177 O LYS A 78 33.374 10.473 14.464 1.00 10.00 O ATOM 1178 CB LYS A 78 36.487 11.314 14.824 1.00 10.00 C ATOM 1179 CG LYS A 78 35.692 12.536 15.319 1.00 10.00 C ATOM 1180 CD LYS A 78 36.555 13.799 15.457 1.00 10.00 C ATOM 1181 CE LYS A 78 37.113 14.277 14.109 1.00 10.00 C ATOM 1182 NZ LYS A 78 37.933 15.506 14.264 1.00 10.00 N ATOM 0 H LYS A 78 37.515 9.173 14.310 1.00 10.00 H new ATOM 0 HA LYS A 78 35.297 9.875 15.928 1.00 10.00 H new ATOM 0 HB2 LYS A 78 37.401 11.219 15.411 1.00 10.00 H new ATOM 0 HB3 LYS A 78 36.788 11.477 13.789 1.00 10.00 H new ATOM 0 HG2 LYS A 78 34.875 12.735 14.626 1.00 10.00 H new ATOM 0 HG3 LYS A 78 35.242 12.303 16.284 1.00 10.00 H new ATOM 0 HD2 LYS A 78 35.960 14.595 15.904 1.00 10.00 H new ATOM 0 HD3 LYS A 78 37.382 13.598 16.139 1.00 10.00 H new ATOM 0 HE2 LYS A 78 37.719 13.488 13.664 1.00 10.00 H new ATOM 0 HE3 LYS A 78 36.290 14.472 13.422 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 38.294 15.802 13.335 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 37.347 16.266 14.665 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 38.732 15.312 14.901 1.00 10.00 H new ATOM 1196 N ASP A 79 34.533 9.526 12.793 1.00 10.00 N ATOM 1197 CA ASP A 79 33.401 9.382 11.869 1.00 10.00 C ATOM 1198 C ASP A 79 32.637 8.064 12.094 1.00 10.00 C ATOM 1199 O ASP A 79 31.406 8.069 12.108 1.00 10.00 O ATOM 1200 CB ASP A 79 33.915 9.476 10.426 1.00 10.00 C ATOM 1201 CG ASP A 79 32.760 9.484 9.411 1.00 10.00 C ATOM 1202 OD1 ASP A 79 32.034 10.504 9.331 1.00 10.00 O ATOM 1203 OD2 ASP A 79 32.592 8.483 8.674 1.00 10.00 O ATOM 0 H ASP A 79 35.417 9.202 12.401 1.00 10.00 H new ATOM 0 HA ASP A 79 32.694 10.189 12.060 1.00 10.00 H new ATOM 0 HB2 ASP A 79 34.508 10.383 10.309 1.00 10.00 H new ATOM 0 HB3 ASP A 79 34.576 8.634 10.219 1.00 10.00 H new ATOM 1208 N ILE A 80 33.342 6.952 12.350 1.00 10.00 N ATOM 1209 CA ILE A 80 32.735 5.652 12.700 1.00 10.00 C ATOM 1210 C ILE A 80 31.865 5.751 13.961 1.00 10.00 C ATOM 1211 O ILE A 80 30.793 5.152 14.017 1.00 10.00 O ATOM 1212 CB ILE A 80 33.819 4.555 12.846 1.00 10.00 C ATOM 1213 CG1 ILE A 80 34.635 4.335 11.549 1.00 10.00 C ATOM 1214 CG2 ILE A 80 33.227 3.209 13.306 1.00 10.00 C ATOM 1215 CD1 ILE A 80 33.840 3.869 10.321 1.00 10.00 C ATOM 0 H ILE A 80 34.361 6.926 12.320 1.00 10.00 H new ATOM 0 HA ILE A 80 32.077 5.366 11.879 1.00 10.00 H new ATOM 0 HB ILE A 80 34.495 4.928 13.615 1.00 10.00 H new ATOM 0 HG12 ILE A 80 35.138 5.269 11.298 1.00 10.00 H new ATOM 0 HG13 ILE A 80 35.413 3.599 11.754 1.00 10.00 H new ATOM 0 HG21 ILE A 80 34.025 2.472 13.394 1.00 10.00 H new ATOM 0 HG22 ILE A 80 32.742 3.336 14.274 1.00 10.00 H new ATOM 0 HG23 ILE A 80 32.494 2.865 12.576 1.00 10.00 H new ATOM 0 HD11 ILE A 80 34.516 3.749 9.474 1.00 10.00 H new ATOM 0 HD12 ILE A 80 33.359 2.916 10.539 1.00 10.00 H new ATOM 0 HD13 ILE A 80 33.080 4.611 10.076 1.00 10.00 H new ATOM 1227 N ASP A 81 32.258 6.576 14.934 1.00 10.00 N ATOM 1228 CA ASP A 81 31.476 6.886 16.143 1.00 10.00 C ATOM 1229 C ASP A 81 30.063 7.461 15.861 1.00 10.00 C ATOM 1230 O ASP A 81 29.187 7.406 16.728 1.00 10.00 O ATOM 1231 CB ASP A 81 32.299 7.838 17.023 1.00 10.00 C ATOM 1232 CG ASP A 81 31.663 8.076 18.404 1.00 10.00 C ATOM 1233 OD1 ASP A 81 31.564 7.111 19.200 1.00 10.00 O ATOM 1234 OD2 ASP A 81 31.303 9.235 18.721 1.00 10.00 O ATOM 0 H ASP A 81 33.154 7.063 14.906 1.00 10.00 H new ATOM 0 HA ASP A 81 31.288 5.946 16.661 1.00 10.00 H new ATOM 0 HB2 ASP A 81 33.300 7.428 17.155 1.00 10.00 H new ATOM 0 HB3 ASP A 81 32.411 8.793 16.510 1.00 10.00 H new ATOM 1239 N SER A 82 29.816 7.942 14.635 1.00 10.00 N ATOM 1240 CA SER A 82 28.537 8.497 14.151 1.00 10.00 C ATOM 1241 C SER A 82 28.043 7.833 12.848 1.00 10.00 C ATOM 1242 O SER A 82 27.083 8.306 12.235 1.00 10.00 O ATOM 1243 CB SER A 82 28.677 10.015 13.950 1.00 10.00 C ATOM 1244 OG SER A 82 28.988 10.671 15.172 1.00 10.00 O ATOM 0 H SER A 82 30.538 7.957 13.914 1.00 10.00 H new ATOM 0 HA SER A 82 27.787 8.284 14.912 1.00 10.00 H new ATOM 0 HB2 SER A 82 29.459 10.216 13.217 1.00 10.00 H new ATOM 0 HB3 SER A 82 27.749 10.418 13.545 1.00 10.00 H new ATOM 0 HG SER A 82 29.073 11.634 15.014 1.00 10.00 H new ATOM 1250 N SER A 83 28.688 6.743 12.408 1.00 10.00 N ATOM 1251 CA SER A 83 28.444 6.068 11.117 1.00 10.00 C ATOM 1252 C SER A 83 28.781 4.562 11.170 1.00 10.00 C ATOM 1253 O SER A 83 29.244 3.972 10.190 1.00 10.00 O ATOM 1254 CB SER A 83 29.239 6.792 10.015 1.00 10.00 C ATOM 1255 OG SER A 83 28.743 6.463 8.725 1.00 10.00 O ATOM 0 H SER A 83 29.419 6.289 12.956 1.00 10.00 H new ATOM 0 HA SER A 83 27.380 6.125 10.889 1.00 10.00 H new ATOM 0 HB2 SER A 83 29.178 7.870 10.167 1.00 10.00 H new ATOM 0 HB3 SER A 83 30.292 6.519 10.083 1.00 10.00 H new ATOM 0 HG SER A 83 28.674 5.489 8.640 1.00 10.00 H new