USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=11 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= 0.422 X(o=0.49,f=0) USER MOD Set 1.2: A 63 TYR OH : rot 10:sc= 0.0652 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= -1.97 (180deg=-3.66!) USER MOD Set 3.1: A 37 GLN : amide:sc= -0.405 K(o=-0.85,f=0.036) USER MOD Set 3.2: A 40 GLN : amide:sc= -0.442 K(o=-0.85,f=0.016) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.076 X(o=-0.076,f=0) USER MOD Single : A 42 ASN : amide:sc= 0.977 K(o=0.98,f=0) USER MOD Single : A 44 THR OG1 : rot 70:sc= 1.22 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.58 K(o=-1.6,f=-4.2!) 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= -0.524 X(o=-0.52,f=-0.19) USER MOD Single : A 57 GLN : amide:sc= -0.0144 X(o=-0.014,f=-0.084) USER MOD Single : A 58 MET CE :methyl -177:sc=-0.00191 (180deg=-0.0151) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.017) 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 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 70:sc= 0.925 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 461 N LEU A 32 49.970 -12.251 16.719 1.00 10.00 N ATOM 462 CA LEU A 32 49.258 -12.817 15.570 1.00 10.00 C ATOM 463 C LEU A 32 50.249 -13.260 14.482 1.00 10.00 C ATOM 464 O LEU A 32 50.081 -14.307 13.858 1.00 10.00 O ATOM 465 CB LEU A 32 48.294 -11.728 15.052 1.00 10.00 C ATOM 466 CG LEU A 32 46.944 -12.223 14.498 1.00 10.00 C ATOM 467 CD1 LEU A 32 46.159 -11.020 13.972 1.00 10.00 C ATOM 468 CD2 LEU A 32 47.078 -13.249 13.374 1.00 10.00 C ATOM 0 HA LEU A 32 48.697 -13.707 15.857 1.00 10.00 H new ATOM 0 HB2 LEU A 32 48.096 -11.031 15.866 1.00 10.00 H new ATOM 0 HB3 LEU A 32 48.801 -11.166 14.268 1.00 10.00 H new ATOM 0 HG LEU A 32 46.430 -12.721 15.320 1.00 10.00 H new ATOM 0 HD11 LEU A 32 45.200 -11.356 13.576 1.00 10.00 H new ATOM 0 HD12 LEU A 32 45.989 -10.313 14.784 1.00 10.00 H new ATOM 0 HD13 LEU A 32 46.728 -10.533 13.180 1.00 10.00 H new ATOM 0 HD21 LEU A 32 46.086 -13.550 13.036 1.00 10.00 H new ATOM 0 HD22 LEU A 32 47.627 -12.808 12.542 1.00 10.00 H new ATOM 0 HD23 LEU A 32 47.617 -14.123 13.741 1.00 10.00 H new ATOM 480 N ASN A 33 51.338 -12.506 14.296 1.00 10.00 N ATOM 481 CA ASN A 33 52.409 -12.891 13.369 1.00 10.00 C ATOM 482 C ASN A 33 53.090 -14.210 13.788 1.00 10.00 C ATOM 483 O ASN A 33 53.499 -14.980 12.925 1.00 10.00 O ATOM 484 CB ASN A 33 53.431 -11.745 13.210 1.00 10.00 C ATOM 485 CG ASN A 33 54.127 -11.741 11.852 1.00 10.00 C ATOM 486 OD1 ASN A 33 54.223 -10.722 11.185 1.00 10.00 O ATOM 487 ND2 ASN A 33 54.604 -12.864 11.364 1.00 10.00 N ATOM 0 H ASN A 33 51.502 -11.622 14.777 1.00 10.00 H new ATOM 0 HA ASN A 33 51.954 -13.073 12.395 1.00 10.00 H new ATOM 0 HB2 ASN A 33 52.922 -10.792 13.353 1.00 10.00 H new ATOM 0 HB3 ASN A 33 54.182 -11.826 13.995 1.00 10.00 H new ATOM 0 HD21 ASN A 33 55.045 -12.874 10.444 1.00 10.00 H new ATOM 0 HD22 ASN A 33 54.534 -13.726 11.905 1.00 10.00 H new ATOM 494 N LYS A 34 53.182 -14.495 15.091 1.00 10.00 N ATOM 495 CA LYS A 34 53.686 -15.756 15.659 1.00 10.00 C ATOM 496 C LYS A 34 52.759 -16.929 15.346 1.00 10.00 C ATOM 497 O LYS A 34 53.229 -17.983 14.926 1.00 10.00 O ATOM 498 CB LYS A 34 53.891 -15.571 17.174 1.00 10.00 C ATOM 499 CG LYS A 34 54.510 -16.805 17.850 1.00 10.00 C ATOM 500 CD LYS A 34 54.758 -16.545 19.342 1.00 10.00 C ATOM 501 CE LYS A 34 55.366 -17.790 20.001 1.00 10.00 C ATOM 502 NZ LYS A 34 55.578 -17.591 21.458 1.00 10.00 N ATOM 0 H LYS A 34 52.897 -13.829 15.810 1.00 10.00 H new ATOM 0 HA LYS A 34 54.643 -16.001 15.198 1.00 10.00 H new ATOM 0 HB2 LYS A 34 54.535 -14.708 17.346 1.00 10.00 H new ATOM 0 HB3 LYS A 34 52.931 -15.351 17.641 1.00 10.00 H new ATOM 0 HG2 LYS A 34 53.846 -17.661 17.731 1.00 10.00 H new ATOM 0 HG3 LYS A 34 55.450 -17.060 17.360 1.00 10.00 H new ATOM 0 HD2 LYS A 34 55.429 -15.695 19.464 1.00 10.00 H new ATOM 0 HD3 LYS A 34 53.821 -16.284 19.834 1.00 10.00 H new ATOM 0 HE2 LYS A 34 54.708 -18.644 19.842 1.00 10.00 H new ATOM 0 HE3 LYS A 34 56.317 -18.027 19.524 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 55.990 -18.453 21.870 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 56.226 -16.791 21.609 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 54.667 -17.390 21.917 1.00 10.00 H new ATOM 516 N GLN A 35 51.447 -16.724 15.465 1.00 10.00 N ATOM 517 CA GLN A 35 50.427 -17.706 15.055 1.00 10.00 C ATOM 518 C GLN A 35 50.528 -18.030 13.559 1.00 10.00 C ATOM 519 O GLN A 35 50.474 -19.191 13.154 1.00 10.00 O ATOM 520 CB GLN A 35 49.019 -17.182 15.396 1.00 10.00 C ATOM 521 CG GLN A 35 48.780 -17.077 16.907 1.00 10.00 C ATOM 522 CD GLN A 35 47.530 -16.270 17.249 1.00 10.00 C ATOM 523 OE1 GLN A 35 46.401 -16.674 17.003 1.00 10.00 O ATOM 524 NE2 GLN A 35 47.684 -15.105 17.839 1.00 10.00 N ATOM 0 H GLN A 35 51.053 -15.866 15.851 1.00 10.00 H new ATOM 0 HA GLN A 35 50.608 -18.628 15.607 1.00 10.00 H new ATOM 0 HB2 GLN A 35 48.880 -16.201 14.941 1.00 10.00 H new ATOM 0 HB3 GLN A 35 48.273 -17.845 14.959 1.00 10.00 H new ATOM 0 HG2 GLN A 35 48.687 -18.079 17.327 1.00 10.00 H new ATOM 0 HG3 GLN A 35 49.647 -16.613 17.377 1.00 10.00 H new ATOM 0 HE21 GLN A 35 48.620 -14.759 18.048 1.00 10.00 H new ATOM 0 HE22 GLN A 35 46.867 -14.547 18.087 1.00 10.00 H new ATOM 533 N LEU A 36 50.737 -17.005 12.732 1.00 10.00 N ATOM 534 CA LEU A 36 50.894 -17.152 11.285 1.00 10.00 C ATOM 535 C LEU A 36 52.233 -17.776 10.879 1.00 10.00 C ATOM 536 O LEU A 36 52.269 -18.612 9.982 1.00 10.00 O ATOM 537 CB LEU A 36 50.662 -15.796 10.638 1.00 10.00 C ATOM 538 CG LEU A 36 50.543 -15.902 9.111 1.00 10.00 C ATOM 539 CD1 LEU A 36 49.431 -16.810 8.584 1.00 10.00 C ATOM 540 CD2 LEU A 36 50.209 -14.504 8.641 1.00 10.00 C ATOM 0 H LEU A 36 50.803 -16.039 13.052 1.00 10.00 H new ATOM 0 HA LEU A 36 50.150 -17.861 10.923 1.00 10.00 H new ATOM 0 HB2 LEU A 36 49.753 -15.352 11.043 1.00 10.00 H new ATOM 0 HB3 LEU A 36 51.484 -15.127 10.892 1.00 10.00 H new ATOM 0 HG LEU A 36 51.477 -16.331 8.747 1.00 10.00 H new ATOM 0 HD11 LEU A 36 49.444 -16.806 7.494 1.00 10.00 H new ATOM 0 HD12 LEU A 36 49.589 -17.826 8.945 1.00 10.00 H new ATOM 0 HD13 LEU A 36 48.466 -16.446 8.937 1.00 10.00 H new ATOM 0 HD21 LEU A 36 50.108 -14.499 7.556 1.00 10.00 H new ATOM 0 HD22 LEU A 36 49.271 -14.182 9.094 1.00 10.00 H new ATOM 0 HD23 LEU A 36 51.007 -13.821 8.934 1.00 10.00 H new ATOM 552 N GLN A 37 53.322 -17.431 11.563 1.00 10.00 N ATOM 553 CA GLN A 37 54.633 -18.057 11.383 1.00 10.00 C ATOM 554 C GLN A 37 54.627 -19.529 11.825 1.00 10.00 C ATOM 555 O GLN A 37 55.292 -20.352 11.201 1.00 10.00 O ATOM 556 CB GLN A 37 55.678 -17.230 12.155 1.00 10.00 C ATOM 557 CG GLN A 37 57.120 -17.757 12.083 1.00 10.00 C ATOM 558 CD GLN A 37 57.721 -17.679 10.684 1.00 10.00 C ATOM 559 OE1 GLN A 37 58.204 -16.641 10.248 1.00 10.00 O ATOM 560 NE2 GLN A 37 57.716 -18.759 9.930 1.00 10.00 N ATOM 0 H GLN A 37 53.319 -16.696 12.270 1.00 10.00 H new ATOM 0 HA GLN A 37 54.890 -18.065 10.324 1.00 10.00 H new ATOM 0 HB2 GLN A 37 55.663 -16.209 11.773 1.00 10.00 H new ATOM 0 HB3 GLN A 37 55.378 -17.183 13.202 1.00 10.00 H new ATOM 0 HG2 GLN A 37 57.743 -17.186 12.771 1.00 10.00 H new ATOM 0 HG3 GLN A 37 57.138 -18.793 12.422 1.00 10.00 H new ATOM 0 HE21 GLN A 37 57.316 -19.627 10.285 1.00 10.00 H new ATOM 0 HE22 GLN A 37 58.112 -18.727 8.991 1.00 10.00 H new ATOM 569 N ASP A 38 53.845 -19.881 12.847 1.00 10.00 N ATOM 570 CA ASP A 38 53.585 -21.274 13.226 1.00 10.00 C ATOM 571 C ASP A 38 52.782 -22.014 12.144 1.00 10.00 C ATOM 572 O ASP A 38 53.108 -23.155 11.805 1.00 10.00 O ATOM 573 CB ASP A 38 52.885 -21.336 14.590 1.00 10.00 C ATOM 574 CG ASP A 38 52.717 -22.787 15.067 1.00 10.00 C ATOM 575 OD1 ASP A 38 53.715 -23.392 15.527 1.00 10.00 O ATOM 576 OD2 ASP A 38 51.587 -23.325 14.991 1.00 10.00 O ATOM 0 H ASP A 38 53.369 -19.202 13.441 1.00 10.00 H new ATOM 0 HA ASP A 38 54.543 -21.786 13.314 1.00 10.00 H new ATOM 0 HB2 ASP A 38 53.464 -20.775 15.324 1.00 10.00 H new ATOM 0 HB3 ASP A 38 51.908 -20.858 14.521 1.00 10.00 H new ATOM 581 N ALA A 39 51.804 -21.347 11.518 1.00 10.00 N ATOM 582 CA ALA A 39 51.130 -21.879 10.332 1.00 10.00 C ATOM 583 C ALA A 39 52.131 -22.134 9.206 1.00 10.00 C ATOM 584 O ALA A 39 52.164 -23.218 8.634 1.00 10.00 O ATOM 585 CB ALA A 39 49.999 -20.955 9.837 1.00 10.00 C ATOM 0 H ALA A 39 51.462 -20.434 11.817 1.00 10.00 H new ATOM 0 HA ALA A 39 50.676 -22.825 10.627 1.00 10.00 H new ATOM 0 HB1 ALA A 39 49.530 -21.393 8.956 1.00 10.00 H new ATOM 0 HB2 ALA A 39 49.254 -20.838 10.624 1.00 10.00 H new ATOM 0 HB3 ALA A 39 50.412 -19.979 9.581 1.00 10.00 H new ATOM 591 N GLN A 40 52.988 -21.149 8.943 1.00 10.00 N ATOM 592 CA GLN A 40 54.007 -21.163 7.902 1.00 10.00 C ATOM 593 C GLN A 40 55.107 -22.194 8.168 1.00 10.00 C ATOM 594 O GLN A 40 55.728 -22.647 7.216 1.00 10.00 O ATOM 595 CB GLN A 40 54.606 -19.746 7.797 1.00 10.00 C ATOM 596 CG GLN A 40 55.396 -19.526 6.498 1.00 10.00 C ATOM 597 CD GLN A 40 55.738 -18.054 6.267 1.00 10.00 C ATOM 598 OE1 GLN A 40 55.422 -17.470 5.240 1.00 10.00 O ATOM 599 NE2 GLN A 40 56.387 -17.387 7.200 1.00 10.00 N ATOM 0 H GLN A 40 52.988 -20.280 9.477 1.00 10.00 H new ATOM 0 HA GLN A 40 53.540 -21.455 6.962 1.00 10.00 H new ATOM 0 HB2 GLN A 40 53.802 -19.012 7.856 1.00 10.00 H new ATOM 0 HB3 GLN A 40 55.262 -19.570 8.650 1.00 10.00 H new ATOM 0 HG2 GLN A 40 56.316 -20.109 6.532 1.00 10.00 H new ATOM 0 HG3 GLN A 40 54.814 -19.898 5.655 1.00 10.00 H new ATOM 0 HE21 GLN A 40 56.660 -17.854 8.064 1.00 10.00 H new ATOM 0 HE22 GLN A 40 56.616 -16.403 7.058 1.00 10.00 H new ATOM 608 N ALA A 41 55.369 -22.579 9.418 1.00 10.00 N ATOM 609 CA ALA A 41 56.243 -23.706 9.765 1.00 10.00 C ATOM 610 C ALA A 41 55.574 -25.081 9.650 1.00 10.00 C ATOM 611 O ALA A 41 56.219 -26.013 9.173 1.00 10.00 O ATOM 612 CB ALA A 41 56.884 -23.473 11.127 1.00 10.00 C ATOM 0 H ALA A 41 54.974 -22.110 10.233 1.00 10.00 H new ATOM 0 HA ALA A 41 57.031 -23.737 9.013 1.00 10.00 H new ATOM 0 HB1 ALA A 41 57.530 -24.315 11.374 1.00 10.00 H new ATOM 0 HB2 ALA A 41 57.476 -22.558 11.099 1.00 10.00 H new ATOM 0 HB3 ALA A 41 56.106 -23.379 11.884 1.00 10.00 H new ATOM 618 N ASN A 42 54.288 -25.227 9.994 1.00 10.00 N ATOM 619 CA ASN A 42 53.565 -26.461 9.667 1.00 10.00 C ATOM 620 C ASN A 42 53.485 -26.597 8.137 1.00 10.00 C ATOM 621 O ASN A 42 53.597 -27.695 7.592 1.00 10.00 O ATOM 622 CB ASN A 42 52.175 -26.511 10.329 1.00 10.00 C ATOM 623 CG ASN A 42 52.244 -26.786 11.823 1.00 10.00 C ATOM 624 OD1 ASN A 42 52.160 -27.922 12.267 1.00 10.00 O ATOM 625 ND2 ASN A 42 52.407 -25.779 12.647 1.00 10.00 N ATOM 0 H ASN A 42 53.738 -24.524 10.487 1.00 10.00 H new ATOM 0 HA ASN A 42 54.111 -27.313 10.072 1.00 10.00 H new ATOM 0 HB2 ASN A 42 51.664 -25.563 10.162 1.00 10.00 H new ATOM 0 HB3 ASN A 42 51.576 -27.285 9.849 1.00 10.00 H new ATOM 0 HD21 ASN A 42 52.463 -25.946 13.652 1.00 10.00 H new ATOM 0 HD22 ASN A 42 52.478 -24.829 12.283 1.00 10.00 H new ATOM 632 N LEU A 43 53.389 -25.458 7.441 1.00 10.00 N ATOM 633 CA LEU A 43 53.524 -25.367 6.008 1.00 10.00 C ATOM 634 C LEU A 43 54.963 -25.594 5.556 1.00 10.00 C ATOM 635 O LEU A 43 55.179 -26.257 4.567 1.00 10.00 O ATOM 636 CB LEU A 43 52.971 -24.010 5.530 1.00 10.00 C ATOM 637 CG LEU A 43 52.414 -24.122 4.122 1.00 10.00 C ATOM 638 CD1 LEU A 43 51.150 -24.959 4.196 1.00 10.00 C ATOM 639 CD2 LEU A 43 52.013 -22.790 3.511 1.00 10.00 C ATOM 0 H LEU A 43 53.210 -24.557 7.885 1.00 10.00 H new ATOM 0 HA LEU A 43 52.939 -26.163 5.547 1.00 10.00 H new ATOM 0 HB2 LEU A 43 52.189 -23.671 6.210 1.00 10.00 H new ATOM 0 HB3 LEU A 43 53.762 -23.260 5.555 1.00 10.00 H new ATOM 0 HG LEU A 43 53.201 -24.552 3.503 1.00 10.00 H new ATOM 0 HD11 LEU A 43 50.722 -25.060 3.199 1.00 10.00 H new ATOM 0 HD12 LEU A 43 51.390 -25.947 4.590 1.00 10.00 H new ATOM 0 HD13 LEU A 43 50.429 -24.472 4.853 1.00 10.00 H new ATOM 0 HD21 LEU A 43 51.625 -22.953 2.506 1.00 10.00 H new ATOM 0 HD22 LEU A 43 51.243 -22.325 4.126 1.00 10.00 H new ATOM 0 HD23 LEU A 43 52.883 -22.135 3.462 1.00 10.00 H new ATOM 651 N THR A 44 55.979 -25.154 6.281 1.00 10.00 N ATOM 652 CA THR A 44 57.373 -25.410 5.887 1.00 10.00 C ATOM 653 C THR A 44 57.681 -26.910 5.897 1.00 10.00 C ATOM 654 O THR A 44 58.383 -27.421 5.023 1.00 10.00 O ATOM 655 CB THR A 44 58.371 -24.675 6.783 1.00 10.00 C ATOM 656 OG1 THR A 44 58.311 -23.284 6.554 1.00 10.00 O ATOM 657 CG2 THR A 44 59.791 -25.127 6.495 1.00 10.00 C ATOM 0 H THR A 44 55.875 -24.619 7.143 1.00 10.00 H new ATOM 0 HA THR A 44 57.484 -25.027 4.873 1.00 10.00 H new ATOM 0 HB THR A 44 58.106 -24.903 7.815 1.00 10.00 H new ATOM 0 HG1 THR A 44 57.463 -22.932 6.897 1.00 10.00 H new ATOM 0 HG21 THR A 44 60.482 -24.590 7.144 1.00 10.00 H new ATOM 0 HG22 THR A 44 59.877 -26.198 6.680 1.00 10.00 H new ATOM 0 HG23 THR A 44 60.035 -24.918 5.453 1.00 10.00 H new ATOM 665 N LYS A 45 57.126 -27.621 6.882 1.00 10.00 N ATOM 666 CA LYS A 45 57.217 -29.083 6.997 1.00 10.00 C ATOM 667 C LYS A 45 56.580 -29.818 5.810 1.00 10.00 C ATOM 668 O LYS A 45 57.093 -30.859 5.398 1.00 10.00 O ATOM 669 CB LYS A 45 56.603 -29.503 8.336 1.00 10.00 C ATOM 670 CG LYS A 45 57.473 -29.114 9.545 1.00 10.00 C ATOM 671 CD LYS A 45 56.794 -29.371 10.898 1.00 10.00 C ATOM 672 CE LYS A 45 56.424 -30.846 11.104 1.00 10.00 C ATOM 673 NZ LYS A 45 55.887 -31.088 12.470 1.00 10.00 N ATOM 0 H LYS A 45 56.591 -27.191 7.636 1.00 10.00 H new ATOM 0 HA LYS A 45 58.268 -29.372 6.970 1.00 10.00 H new ATOM 0 HB2 LYS A 45 55.620 -29.043 8.439 1.00 10.00 H new ATOM 0 HB3 LYS A 45 56.451 -30.582 8.337 1.00 10.00 H new ATOM 0 HG2 LYS A 45 58.408 -29.673 9.505 1.00 10.00 H new ATOM 0 HG3 LYS A 45 57.731 -28.057 9.472 1.00 10.00 H new ATOM 0 HD2 LYS A 45 57.459 -29.052 11.700 1.00 10.00 H new ATOM 0 HD3 LYS A 45 55.893 -28.761 10.970 1.00 10.00 H new ATOM 0 HE2 LYS A 45 55.682 -31.143 10.363 1.00 10.00 H new ATOM 0 HE3 LYS A 45 57.304 -31.469 10.942 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 55.647 -32.094 12.575 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 56.604 -30.827 13.176 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 55.033 -30.512 12.615 1.00 10.00 H new ATOM 687 N ASN A 46 55.516 -29.261 5.225 1.00 10.00 N ATOM 688 CA ASN A 46 54.914 -29.700 3.975 1.00 10.00 C ATOM 689 C ASN A 46 54.237 -28.536 3.213 1.00 10.00 C ATOM 690 O ASN A 46 53.068 -28.239 3.483 1.00 10.00 O ATOM 691 CB ASN A 46 53.997 -30.877 4.283 1.00 10.00 C ATOM 692 CG ASN A 46 53.513 -31.581 3.015 1.00 10.00 C ATOM 693 OD1 ASN A 46 53.542 -31.057 1.909 1.00 10.00 O ATOM 694 ND2 ASN A 46 53.096 -32.823 3.120 1.00 10.00 N ATOM 0 H ASN A 46 55.035 -28.459 5.631 1.00 10.00 H new ATOM 0 HA ASN A 46 55.679 -30.044 3.279 1.00 10.00 H new ATOM 0 HB2 ASN A 46 54.526 -31.592 4.914 1.00 10.00 H new ATOM 0 HB3 ASN A 46 53.136 -30.525 4.852 1.00 10.00 H new ATOM 0 HD21 ASN A 46 52.803 -33.335 2.288 1.00 10.00 H new ATOM 0 HD22 ASN A 46 53.065 -33.275 4.034 1.00 10.00 H new ATOM 701 N PRO A 47 54.972 -27.840 2.311 1.00 10.00 N ATOM 702 CA PRO A 47 54.546 -26.589 1.670 1.00 10.00 C ATOM 703 C PRO A 47 53.152 -26.529 1.051 1.00 10.00 C ATOM 704 O PRO A 47 52.592 -25.435 0.963 1.00 10.00 O ATOM 705 CB PRO A 47 55.631 -26.265 0.663 1.00 10.00 C ATOM 706 CG PRO A 47 56.897 -26.752 1.361 1.00 10.00 C ATOM 707 CD PRO A 47 56.424 -27.960 2.170 1.00 10.00 C ATOM 0 HA PRO A 47 54.431 -25.845 2.458 1.00 10.00 H new ATOM 0 HB2 PRO A 47 55.469 -26.778 -0.285 1.00 10.00 H new ATOM 0 HB3 PRO A 47 55.675 -25.198 0.445 1.00 10.00 H new ATOM 0 HG2 PRO A 47 57.669 -27.029 0.643 1.00 10.00 H new ATOM 0 HG3 PRO A 47 57.321 -25.981 2.004 1.00 10.00 H new ATOM 0 HD2 PRO A 47 56.687 -28.889 1.664 1.00 10.00 H new ATOM 0 HD3 PRO A 47 56.906 -27.982 3.148 1.00 10.00 H new ATOM 715 N SER A 48 52.559 -27.663 0.665 1.00 10.00 N ATOM 716 CA SER A 48 51.176 -27.741 0.240 1.00 10.00 C ATOM 717 C SER A 48 50.329 -28.833 0.889 1.00 10.00 C ATOM 718 O SER A 48 49.348 -29.309 0.310 1.00 10.00 O ATOM 719 CB SER A 48 51.159 -27.714 -1.274 1.00 10.00 C ATOM 720 OG SER A 48 51.674 -28.914 -1.837 1.00 10.00 O ATOM 0 H SER A 48 53.042 -28.561 0.642 1.00 10.00 H new ATOM 0 HA SER A 48 50.648 -26.867 0.622 1.00 10.00 H new ATOM 0 HB2 SER A 48 50.137 -27.560 -1.622 1.00 10.00 H new ATOM 0 HB3 SER A 48 51.747 -26.867 -1.628 1.00 10.00 H new ATOM 0 HG SER A 48 51.644 -28.856 -2.815 1.00 10.00 H new ATOM 726 N ASP A 49 50.688 -29.215 2.118 1.00 10.00 N ATOM 727 CA ASP A 49 49.828 -30.050 2.963 1.00 10.00 C ATOM 728 C ASP A 49 48.526 -29.256 3.150 1.00 10.00 C ATOM 729 O ASP A 49 48.568 -28.095 3.557 1.00 10.00 O ATOM 730 CB ASP A 49 50.518 -30.403 4.286 1.00 10.00 C ATOM 731 CG ASP A 49 49.570 -31.028 5.329 1.00 10.00 C ATOM 732 OD1 ASP A 49 48.629 -30.349 5.800 1.00 10.00 O ATOM 733 OD2 ASP A 49 49.755 -32.223 5.664 1.00 10.00 O ATOM 0 H ASP A 49 51.574 -28.957 2.552 1.00 10.00 H new ATOM 0 HA ASP A 49 49.615 -31.015 2.503 1.00 10.00 H new ATOM 0 HB2 ASP A 49 51.334 -31.098 4.087 1.00 10.00 H new ATOM 0 HB3 ASP A 49 50.963 -29.501 4.706 1.00 10.00 H new ATOM 738 N PRO A 50 47.362 -29.828 2.826 1.00 10.00 N ATOM 739 CA PRO A 50 46.134 -29.061 2.747 1.00 10.00 C ATOM 740 C PRO A 50 45.575 -28.579 4.077 1.00 10.00 C ATOM 741 O PRO A 50 44.892 -27.564 4.081 1.00 10.00 O ATOM 742 CB PRO A 50 45.149 -29.964 2.035 1.00 10.00 C ATOM 743 CG PRO A 50 45.639 -31.381 2.343 1.00 10.00 C ATOM 744 CD PRO A 50 47.150 -31.214 2.471 1.00 10.00 C ATOM 0 HA PRO A 50 46.331 -28.129 2.218 1.00 10.00 H new ATOM 0 HB2 PRO A 50 44.133 -29.808 2.397 1.00 10.00 H new ATOM 0 HB3 PRO A 50 45.138 -29.772 0.962 1.00 10.00 H new ATOM 0 HG2 PRO A 50 45.198 -31.767 3.262 1.00 10.00 H new ATOM 0 HG3 PRO A 50 45.378 -32.078 1.547 1.00 10.00 H new ATOM 0 HD2 PRO A 50 47.554 -31.880 3.234 1.00 10.00 H new ATOM 0 HD3 PRO A 50 47.652 -31.460 1.535 1.00 10.00 H new ATOM 752 N THR A 51 45.863 -29.236 5.200 1.00 10.00 N ATOM 753 CA THR A 51 45.523 -28.709 6.532 1.00 10.00 C ATOM 754 C THR A 51 46.505 -27.631 6.952 1.00 10.00 C ATOM 755 O THR A 51 46.071 -26.607 7.456 1.00 10.00 O ATOM 756 CB THR A 51 45.535 -29.834 7.560 1.00 10.00 C ATOM 757 OG1 THR A 51 44.396 -30.657 7.397 1.00 10.00 O ATOM 758 CG2 THR A 51 45.571 -29.343 9.004 1.00 10.00 C ATOM 0 H THR A 51 46.334 -30.141 5.219 1.00 10.00 H new ATOM 0 HA THR A 51 44.525 -28.274 6.480 1.00 10.00 H new ATOM 0 HB THR A 51 46.454 -30.391 7.378 1.00 10.00 H new ATOM 0 HG1 THR A 51 44.415 -31.377 8.061 1.00 10.00 H new ATOM 0 HG21 THR A 51 45.578 -30.199 9.679 1.00 10.00 H new ATOM 0 HG22 THR A 51 46.470 -28.748 9.164 1.00 10.00 H new ATOM 0 HG23 THR A 51 44.691 -28.731 9.202 1.00 10.00 H new ATOM 766 N ALA A 52 47.804 -27.800 6.715 1.00 10.00 N ATOM 767 CA ALA A 52 48.795 -26.746 6.896 1.00 10.00 C ATOM 768 C ALA A 52 48.446 -25.495 6.098 1.00 10.00 C ATOM 769 O ALA A 52 48.535 -24.382 6.616 1.00 10.00 O ATOM 770 CB ALA A 52 50.155 -27.336 6.492 1.00 10.00 C ATOM 0 H ALA A 52 48.200 -28.681 6.389 1.00 10.00 H new ATOM 0 HA ALA A 52 48.822 -26.419 7.936 1.00 10.00 H new ATOM 0 HB1 ALA A 52 50.930 -26.579 6.612 1.00 10.00 H new ATOM 0 HB2 ALA A 52 50.383 -28.193 7.126 1.00 10.00 H new ATOM 0 HB3 ALA A 52 50.118 -27.656 5.451 1.00 10.00 H new ATOM 776 N LEU A 53 48.001 -25.680 4.863 1.00 10.00 N ATOM 777 CA LEU A 53 47.672 -24.602 3.949 1.00 10.00 C ATOM 778 C LEU A 53 46.290 -24.023 4.255 1.00 10.00 C ATOM 779 O LEU A 53 46.120 -22.811 4.208 1.00 10.00 O ATOM 780 CB LEU A 53 47.851 -25.169 2.535 1.00 10.00 C ATOM 781 CG LEU A 53 48.036 -24.185 1.370 1.00 10.00 C ATOM 782 CD1 LEU A 53 48.579 -22.824 1.768 1.00 10.00 C ATOM 783 CD2 LEU A 53 49.071 -24.802 0.432 1.00 10.00 C ATOM 0 H LEU A 53 47.856 -26.607 4.462 1.00 10.00 H new ATOM 0 HA LEU A 53 48.330 -23.740 4.057 1.00 10.00 H new ATOM 0 HB2 LEU A 53 48.716 -25.831 2.550 1.00 10.00 H new ATOM 0 HB3 LEU A 53 46.981 -25.787 2.313 1.00 10.00 H new ATOM 0 HG LEU A 53 47.051 -24.025 0.932 1.00 10.00 H new ATOM 0 HD11 LEU A 53 48.676 -22.198 0.881 1.00 10.00 H new ATOM 0 HD12 LEU A 53 47.895 -22.351 2.473 1.00 10.00 H new ATOM 0 HD13 LEU A 53 49.556 -22.945 2.236 1.00 10.00 H new ATOM 0 HD21 LEU A 53 49.237 -24.136 -0.415 1.00 10.00 H new ATOM 0 HD22 LEU A 53 50.008 -24.946 0.969 1.00 10.00 H new ATOM 0 HD23 LEU A 53 48.707 -25.764 0.072 1.00 10.00 H new ATOM 795 N ALA A 54 45.331 -24.850 4.678 1.00 10.00 N ATOM 796 CA ALA A 54 44.048 -24.400 5.219 1.00 10.00 C ATOM 797 C ALA A 54 44.249 -23.565 6.489 1.00 10.00 C ATOM 798 O ALA A 54 43.629 -22.519 6.660 1.00 10.00 O ATOM 799 CB ALA A 54 43.177 -25.628 5.537 1.00 10.00 C ATOM 0 H ALA A 54 45.426 -25.865 4.654 1.00 10.00 H new ATOM 0 HA ALA A 54 43.555 -23.774 4.476 1.00 10.00 H new ATOM 0 HB1 ALA A 54 42.219 -25.300 5.941 1.00 10.00 H new ATOM 0 HB2 ALA A 54 43.009 -26.201 4.625 1.00 10.00 H new ATOM 0 HB3 ALA A 54 43.685 -26.254 6.271 1.00 10.00 H new ATOM 805 N ASN A 55 45.152 -24.012 7.363 1.00 10.00 N ATOM 806 CA ASN A 55 45.503 -23.370 8.619 1.00 10.00 C ATOM 807 C ASN A 55 46.167 -22.019 8.364 1.00 10.00 C ATOM 808 O ASN A 55 45.696 -20.989 8.836 1.00 10.00 O ATOM 809 CB ASN A 55 46.440 -24.330 9.368 1.00 10.00 C ATOM 810 CG ASN A 55 47.060 -23.782 10.624 1.00 10.00 C ATOM 811 OD1 ASN A 55 46.393 -23.413 11.576 1.00 10.00 O ATOM 812 ND2 ASN A 55 48.371 -23.759 10.655 1.00 10.00 N ATOM 0 H ASN A 55 45.679 -24.870 7.202 1.00 10.00 H new ATOM 0 HA ASN A 55 44.616 -23.169 9.219 1.00 10.00 H new ATOM 0 HB2 ASN A 55 45.881 -25.230 9.623 1.00 10.00 H new ATOM 0 HB3 ASN A 55 47.239 -24.632 8.691 1.00 10.00 H new ATOM 0 HD21 ASN A 55 48.856 -23.427 11.489 1.00 10.00 H new ATOM 0 HD22 ASN A 55 48.906 -24.073 9.845 1.00 10.00 H new ATOM 819 N TYR A 56 47.219 -22.020 7.546 1.00 10.00 N ATOM 820 CA TYR A 56 47.858 -20.798 7.048 1.00 10.00 C ATOM 821 C TYR A 56 46.876 -19.852 6.366 1.00 10.00 C ATOM 822 O TYR A 56 46.859 -18.685 6.725 1.00 10.00 O ATOM 823 CB TYR A 56 49.059 -21.203 6.185 1.00 10.00 C ATOM 824 CG TYR A 56 49.761 -20.169 5.329 1.00 10.00 C ATOM 825 CD1 TYR A 56 49.291 -19.908 4.026 1.00 10.00 C ATOM 826 CD2 TYR A 56 50.990 -19.629 5.755 1.00 10.00 C ATOM 827 CE1 TYR A 56 50.065 -19.142 3.136 1.00 10.00 C ATOM 828 CE2 TYR A 56 51.770 -18.867 4.866 1.00 10.00 C ATOM 829 CZ TYR A 56 51.321 -18.639 3.545 1.00 10.00 C ATOM 830 OH TYR A 56 52.095 -17.927 2.681 1.00 10.00 O ATOM 0 H TYR A 56 47.657 -22.876 7.206 1.00 10.00 H new ATOM 0 HA TYR A 56 48.228 -20.204 7.883 1.00 10.00 H new ATOM 0 HB2 TYR A 56 49.806 -21.633 6.852 1.00 10.00 H new ATOM 0 HB3 TYR A 56 48.727 -22.001 5.521 1.00 10.00 H new ATOM 0 HD1 TYR A 56 48.334 -20.297 3.710 1.00 10.00 H new ATOM 0 HD2 TYR A 56 51.334 -19.800 6.764 1.00 10.00 H new ATOM 0 HE1 TYR A 56 49.700 -18.938 2.140 1.00 10.00 H new ATOM 0 HE2 TYR A 56 52.713 -18.456 5.193 1.00 10.00 H new ATOM 0 HH TYR A 56 52.924 -17.658 3.130 1.00 10.00 H new ATOM 840 N GLN A 57 45.979 -20.321 5.501 1.00 10.00 N ATOM 841 CA GLN A 57 44.966 -19.456 4.876 1.00 10.00 C ATOM 842 C GLN A 57 43.968 -18.879 5.895 1.00 10.00 C ATOM 843 O GLN A 57 43.617 -17.703 5.812 1.00 10.00 O ATOM 844 CB GLN A 57 44.219 -20.207 3.759 1.00 10.00 C ATOM 845 CG GLN A 57 45.048 -20.359 2.471 1.00 10.00 C ATOM 846 CD GLN A 57 45.143 -19.058 1.676 1.00 10.00 C ATOM 847 OE1 GLN A 57 46.017 -18.228 1.882 1.00 10.00 O ATOM 848 NE2 GLN A 57 44.250 -18.824 0.735 1.00 10.00 N ATOM 0 H GLN A 57 45.929 -21.298 5.213 1.00 10.00 H new ATOM 0 HA GLN A 57 45.502 -18.613 4.441 1.00 10.00 H new ATOM 0 HB2 GLN A 57 43.937 -21.196 4.121 1.00 10.00 H new ATOM 0 HB3 GLN A 57 43.295 -19.676 3.528 1.00 10.00 H new ATOM 0 HG2 GLN A 57 46.052 -20.698 2.727 1.00 10.00 H new ATOM 0 HG3 GLN A 57 44.601 -21.131 1.845 1.00 10.00 H new ATOM 0 HE21 GLN A 57 43.514 -19.505 0.550 1.00 10.00 H new ATOM 0 HE22 GLN A 57 44.295 -17.962 0.192 1.00 10.00 H new ATOM 857 N MET A 58 43.538 -19.671 6.883 1.00 10.00 N ATOM 858 CA MET A 58 42.618 -19.249 7.946 1.00 10.00 C ATOM 859 C MET A 58 43.249 -18.203 8.873 1.00 10.00 C ATOM 860 O MET A 58 42.666 -17.145 9.113 1.00 10.00 O ATOM 861 CB MET A 58 42.153 -20.509 8.700 1.00 10.00 C ATOM 862 CG MET A 58 41.085 -20.264 9.772 1.00 10.00 C ATOM 863 SD MET A 58 41.646 -19.567 11.354 1.00 10.00 S ATOM 864 CE MET A 58 42.471 -21.012 12.080 1.00 10.00 C ATOM 0 H MET A 58 43.826 -20.646 6.968 1.00 10.00 H new ATOM 0 HA MET A 58 41.752 -18.751 7.511 1.00 10.00 H new ATOM 0 HB2 MET A 58 41.763 -21.224 7.976 1.00 10.00 H new ATOM 0 HB3 MET A 58 43.020 -20.973 9.171 1.00 10.00 H new ATOM 0 HG2 MET A 58 40.334 -19.594 9.354 1.00 10.00 H new ATOM 0 HG3 MET A 58 40.588 -21.212 9.977 1.00 10.00 H new ATOM 0 HE1 MET A 58 42.825 -20.764 13.081 1.00 10.00 H new ATOM 0 HE2 MET A 58 41.766 -21.841 12.140 1.00 10.00 H new ATOM 0 HE3 MET A 58 43.317 -21.299 11.456 1.00 10.00 H new ATOM 874 N ILE A 59 44.476 -18.448 9.334 1.00 10.00 N ATOM 875 CA ILE A 59 45.224 -17.527 10.176 1.00 10.00 C ATOM 876 C ILE A 59 45.629 -16.286 9.375 1.00 10.00 C ATOM 877 O ILE A 59 45.590 -15.179 9.906 1.00 10.00 O ATOM 878 CB ILE A 59 46.424 -18.285 10.766 1.00 10.00 C ATOM 879 CG1 ILE A 59 45.963 -19.435 11.694 1.00 10.00 C ATOM 880 CG2 ILE A 59 47.332 -17.364 11.577 1.00 10.00 C ATOM 881 CD1 ILE A 59 47.132 -20.281 12.196 1.00 10.00 C ATOM 0 H ILE A 59 44.983 -19.309 9.126 1.00 10.00 H new ATOM 0 HA ILE A 59 44.613 -17.163 11.002 1.00 10.00 H new ATOM 0 HB ILE A 59 46.975 -18.687 9.916 1.00 10.00 H new ATOM 0 HG12 ILE A 59 45.427 -19.018 12.547 1.00 10.00 H new ATOM 0 HG13 ILE A 59 45.261 -20.073 11.157 1.00 10.00 H new ATOM 0 HG21 ILE A 59 48.168 -17.938 11.977 1.00 10.00 H new ATOM 0 HG22 ILE A 59 47.711 -16.569 10.935 1.00 10.00 H new ATOM 0 HG23 ILE A 59 46.766 -16.927 12.399 1.00 10.00 H new ATOM 0 HD11 ILE A 59 46.756 -21.074 12.843 1.00 10.00 H new ATOM 0 HD12 ILE A 59 47.653 -20.722 11.346 1.00 10.00 H new ATOM 0 HD13 ILE A 59 47.822 -19.651 12.758 1.00 10.00 H new ATOM 893 N MET A 60 45.960 -16.432 8.090 1.00 10.00 N ATOM 894 CA MET A 60 46.284 -15.308 7.211 1.00 10.00 C ATOM 895 C MET A 60 45.067 -14.431 6.915 1.00 10.00 C ATOM 896 O MET A 60 45.206 -13.215 6.815 1.00 10.00 O ATOM 897 CB MET A 60 46.934 -15.785 5.911 1.00 10.00 C ATOM 898 CG MET A 60 47.719 -14.644 5.271 1.00 10.00 C ATOM 899 SD MET A 60 48.790 -15.143 3.901 1.00 10.00 S ATOM 900 CE MET A 60 50.079 -15.945 4.890 1.00 10.00 C ATOM 0 H MET A 60 46.011 -17.340 7.628 1.00 10.00 H new ATOM 0 HA MET A 60 47.004 -14.692 7.749 1.00 10.00 H new ATOM 0 HB2 MET A 60 47.598 -16.625 6.114 1.00 10.00 H new ATOM 0 HB3 MET A 60 46.169 -16.142 5.222 1.00 10.00 H new ATOM 0 HG2 MET A 60 47.015 -13.894 4.910 1.00 10.00 H new ATOM 0 HG3 MET A 60 48.330 -14.166 6.037 1.00 10.00 H new ATOM 0 HE1 MET A 60 50.980 -16.061 4.288 1.00 10.00 H new ATOM 0 HE2 MET A 60 50.302 -15.332 5.763 1.00 10.00 H new ATOM 0 HE3 MET A 60 49.731 -16.925 5.215 1.00 10.00 H new ATOM 910 N SER A 61 43.872 -15.022 6.838 1.00 10.00 N ATOM 911 CA SER A 61 42.607 -14.284 6.773 1.00 10.00 C ATOM 912 C SER A 61 42.444 -13.383 8.003 1.00 10.00 C ATOM 913 O SER A 61 42.240 -12.178 7.860 1.00 10.00 O ATOM 914 CB SER A 61 41.430 -15.259 6.625 1.00 10.00 C ATOM 915 OG SER A 61 40.230 -14.548 6.367 1.00 10.00 O ATOM 0 H SER A 61 43.754 -16.035 6.819 1.00 10.00 H new ATOM 0 HA SER A 61 42.619 -13.639 5.894 1.00 10.00 H new ATOM 0 HB2 SER A 61 41.628 -15.958 5.812 1.00 10.00 H new ATOM 0 HB3 SER A 61 41.322 -15.850 7.535 1.00 10.00 H new ATOM 0 HG SER A 61 39.488 -15.181 6.273 1.00 10.00 H new ATOM 921 N GLU A 62 42.650 -13.920 9.214 1.00 10.00 N ATOM 922 CA GLU A 62 42.641 -13.129 10.456 1.00 10.00 C ATOM 923 C GLU A 62 43.757 -12.072 10.517 1.00 10.00 C ATOM 924 O GLU A 62 43.500 -10.916 10.863 1.00 10.00 O ATOM 925 CB GLU A 62 42.710 -14.051 11.688 1.00 10.00 C ATOM 926 CG GLU A 62 41.421 -14.865 11.878 1.00 10.00 C ATOM 927 CD GLU A 62 41.358 -15.508 13.279 1.00 10.00 C ATOM 928 OE1 GLU A 62 42.263 -16.298 13.643 1.00 10.00 O ATOM 929 OE2 GLU A 62 40.395 -15.224 14.033 1.00 10.00 O ATOM 0 H GLU A 62 42.827 -14.914 9.362 1.00 10.00 H new ATOM 0 HA GLU A 62 41.697 -12.584 10.461 1.00 10.00 H new ATOM 0 HB2 GLU A 62 43.555 -14.731 11.583 1.00 10.00 H new ATOM 0 HB3 GLU A 62 42.893 -13.450 12.579 1.00 10.00 H new ATOM 0 HG2 GLU A 62 40.556 -14.217 11.735 1.00 10.00 H new ATOM 0 HG3 GLU A 62 41.366 -15.643 11.117 1.00 10.00 H new ATOM 936 N TYR A 63 44.979 -12.447 10.131 1.00 10.00 N ATOM 937 CA TYR A 63 46.152 -11.565 10.084 1.00 10.00 C ATOM 938 C TYR A 63 45.934 -10.362 9.164 1.00 10.00 C ATOM 939 O TYR A 63 46.182 -9.216 9.543 1.00 10.00 O ATOM 940 CB TYR A 63 47.359 -12.397 9.623 1.00 10.00 C ATOM 941 CG TYR A 63 48.659 -11.653 9.382 1.00 10.00 C ATOM 942 CD1 TYR A 63 49.604 -11.514 10.415 1.00 10.00 C ATOM 943 CD2 TYR A 63 48.985 -11.250 8.071 1.00 10.00 C ATOM 944 CE1 TYR A 63 50.883 -10.996 10.131 1.00 10.00 C ATOM 945 CE2 TYR A 63 50.261 -10.732 7.785 1.00 10.00 C ATOM 946 CZ TYR A 63 51.219 -10.609 8.814 1.00 10.00 C ATOM 947 OH TYR A 63 52.462 -10.130 8.536 1.00 10.00 O ATOM 0 H TYR A 63 45.188 -13.400 9.834 1.00 10.00 H new ATOM 0 HA TYR A 63 46.330 -11.158 11.079 1.00 10.00 H new ATOM 0 HB2 TYR A 63 47.544 -13.168 10.371 1.00 10.00 H new ATOM 0 HB3 TYR A 63 47.085 -12.908 8.700 1.00 10.00 H new ATOM 0 HD1 TYR A 63 49.349 -11.804 11.424 1.00 10.00 H new ATOM 0 HD2 TYR A 63 48.252 -11.339 7.283 1.00 10.00 H new ATOM 0 HE1 TYR A 63 51.610 -10.894 10.923 1.00 10.00 H new ATOM 0 HE2 TYR A 63 50.508 -10.428 6.778 1.00 10.00 H new ATOM 0 HH TYR A 63 53.045 -10.265 9.312 1.00 10.00 H new ATOM 957 N ASN A 64 45.447 -10.623 7.952 1.00 10.00 N ATOM 958 CA ASN A 64 45.296 -9.611 6.916 1.00 10.00 C ATOM 959 C ASN A 64 44.092 -8.697 7.190 1.00 10.00 C ATOM 960 O ASN A 64 44.204 -7.482 7.031 1.00 10.00 O ATOM 961 CB ASN A 64 45.184 -10.315 5.553 1.00 10.00 C ATOM 962 CG ASN A 64 45.081 -9.333 4.399 1.00 10.00 C ATOM 963 OD1 ASN A 64 44.006 -8.890 4.020 1.00 10.00 O ATOM 964 ND2 ASN A 64 46.190 -8.958 3.800 1.00 10.00 N ATOM 0 H ASN A 64 45.144 -11.553 7.662 1.00 10.00 H new ATOM 0 HA ASN A 64 46.172 -8.962 6.912 1.00 10.00 H new ATOM 0 HB2 ASN A 64 46.054 -10.955 5.405 1.00 10.00 H new ATOM 0 HB3 ASN A 64 44.308 -10.964 5.553 1.00 10.00 H new ATOM 0 HD21 ASN A 64 46.152 -8.300 3.022 1.00 10.00 H new ATOM 0 HD22 ASN A 64 47.088 -9.325 4.114 1.00 10.00 H new ATOM 1108 N VAL A 74 43.174 4.416 10.389 1.00 10.00 N ATOM 1109 CA VAL A 74 44.231 5.427 10.271 1.00 10.00 C ATOM 1110 C VAL A 74 43.962 6.459 9.162 1.00 10.00 C ATOM 1111 O VAL A 74 44.385 7.610 9.295 1.00 10.00 O ATOM 1112 CB VAL A 74 45.566 4.675 10.074 1.00 10.00 C ATOM 1113 CG1 VAL A 74 46.696 5.516 9.490 1.00 10.00 C ATOM 1114 CG2 VAL A 74 46.053 4.106 11.414 1.00 10.00 C ATOM 0 HA VAL A 74 44.268 6.026 11.181 1.00 10.00 H new ATOM 0 HB VAL A 74 45.338 3.892 9.350 1.00 10.00 H new ATOM 0 HG11 VAL A 74 47.591 4.903 9.389 1.00 10.00 H new ATOM 0 HG12 VAL A 74 46.401 5.892 8.510 1.00 10.00 H new ATOM 0 HG13 VAL A 74 46.905 6.356 10.153 1.00 10.00 H new ATOM 0 HG21 VAL A 74 46.995 3.578 11.264 1.00 10.00 H new ATOM 0 HG22 VAL A 74 46.203 4.921 12.122 1.00 10.00 H new ATOM 0 HG23 VAL A 74 45.308 3.415 11.808 1.00 10.00 H new ATOM 1124 N LYS A 75 43.221 6.098 8.103 1.00 10.00 N ATOM 1125 CA LYS A 75 42.784 7.034 7.048 1.00 10.00 C ATOM 1126 C LYS A 75 41.412 7.654 7.334 1.00 10.00 C ATOM 1127 O LYS A 75 41.229 8.846 7.095 1.00 10.00 O ATOM 1128 CB LYS A 75 42.786 6.332 5.679 1.00 10.00 C ATOM 1129 CG LYS A 75 44.215 6.008 5.209 1.00 10.00 C ATOM 1130 CD LYS A 75 44.264 5.525 3.749 1.00 10.00 C ATOM 1131 CE LYS A 75 43.498 4.222 3.481 1.00 10.00 C ATOM 1132 NZ LYS A 75 44.148 3.048 4.119 1.00 10.00 N ATOM 0 H LYS A 75 42.904 5.141 7.951 1.00 10.00 H new ATOM 0 HA LYS A 75 43.500 7.855 7.034 1.00 10.00 H new ATOM 0 HB2 LYS A 75 42.206 5.411 5.741 1.00 10.00 H new ATOM 0 HB3 LYS A 75 42.296 6.969 4.942 1.00 10.00 H new ATOM 0 HG2 LYS A 75 44.838 6.896 5.315 1.00 10.00 H new ATOM 0 HG3 LYS A 75 44.641 5.241 5.856 1.00 10.00 H new ATOM 0 HD2 LYS A 75 43.859 6.308 3.107 1.00 10.00 H new ATOM 0 HD3 LYS A 75 45.306 5.384 3.461 1.00 10.00 H new ATOM 0 HE2 LYS A 75 42.479 4.318 3.855 1.00 10.00 H new ATOM 0 HE3 LYS A 75 43.429 4.057 2.406 1.00 10.00 H new ATOM 0 HZ1 LYS A 75 43.597 2.191 3.912 1.00 10.00 H new ATOM 0 HZ2 LYS A 75 45.112 2.939 3.744 1.00 10.00 H new ATOM 0 HZ3 LYS A 75 44.191 3.192 5.148 1.00 10.00 H new ATOM 1146 N SER A 76 40.466 6.887 7.879 1.00 10.00 N ATOM 1147 CA SER A 76 39.106 7.353 8.210 1.00 10.00 C ATOM 1148 C SER A 76 39.046 8.348 9.378 1.00 10.00 C ATOM 1149 O SER A 76 38.095 9.123 9.464 1.00 10.00 O ATOM 1150 CB SER A 76 38.194 6.161 8.522 1.00 10.00 C ATOM 1151 OG SER A 76 38.059 5.329 7.379 1.00 10.00 O ATOM 0 H SER A 76 40.620 5.905 8.109 1.00 10.00 H new ATOM 0 HA SER A 76 38.761 7.886 7.324 1.00 10.00 H new ATOM 0 HB2 SER A 76 38.607 5.586 9.351 1.00 10.00 H new ATOM 0 HB3 SER A 76 37.214 6.518 8.838 1.00 10.00 H new ATOM 0 HG SER A 76 37.476 4.571 7.593 1.00 10.00 H new ATOM 1157 N MET A 77 40.051 8.375 10.263 1.00 10.00 N ATOM 1158 CA MET A 77 40.103 9.256 11.446 1.00 10.00 C ATOM 1159 C MET A 77 39.881 10.754 11.148 1.00 10.00 C ATOM 1160 O MET A 77 39.289 11.464 11.966 1.00 10.00 O ATOM 1161 CB MET A 77 41.411 8.998 12.221 1.00 10.00 C ATOM 1162 CG MET A 77 42.697 9.401 11.485 1.00 10.00 C ATOM 1163 SD MET A 77 43.168 11.149 11.621 1.00 10.00 S ATOM 1164 CE MET A 77 44.664 11.127 10.596 1.00 10.00 C ATOM 0 H MET A 77 40.870 7.773 10.178 1.00 10.00 H new ATOM 0 HA MET A 77 39.251 8.993 12.073 1.00 10.00 H new ATOM 0 HB2 MET A 77 41.367 9.539 13.166 1.00 10.00 H new ATOM 0 HB3 MET A 77 41.468 7.937 12.464 1.00 10.00 H new ATOM 0 HG2 MET A 77 43.517 8.792 11.865 1.00 10.00 H new ATOM 0 HG3 MET A 77 42.581 9.156 10.429 1.00 10.00 H new ATOM 0 HE1 MET A 77 45.097 12.127 10.562 1.00 10.00 H new ATOM 0 HE2 MET A 77 45.387 10.433 11.023 1.00 10.00 H new ATOM 0 HE3 MET A 77 44.408 10.808 9.586 1.00 10.00 H new ATOM 1174 N LYS A 78 40.276 11.238 9.960 1.00 10.00 N ATOM 1175 CA LYS A 78 40.073 12.632 9.522 1.00 10.00 C ATOM 1176 C LYS A 78 38.602 13.009 9.297 1.00 10.00 C ATOM 1177 O LYS A 78 38.234 14.174 9.450 1.00 10.00 O ATOM 1178 CB LYS A 78 40.940 12.916 8.281 1.00 10.00 C ATOM 1179 CG LYS A 78 40.452 12.207 7.006 1.00 10.00 C ATOM 1180 CD LYS A 78 41.528 12.238 5.908 1.00 10.00 C ATOM 1181 CE LYS A 78 41.136 11.404 4.679 1.00 10.00 C ATOM 1182 NZ LYS A 78 40.015 12.009 3.911 1.00 10.00 N ATOM 0 H LYS A 78 40.753 10.665 9.264 1.00 10.00 H new ATOM 0 HA LYS A 78 40.395 13.275 10.341 1.00 10.00 H new ATOM 0 HB2 LYS A 78 40.961 13.991 8.102 1.00 10.00 H new ATOM 0 HB3 LYS A 78 41.965 12.607 8.487 1.00 10.00 H new ATOM 0 HG2 LYS A 78 40.194 11.174 7.237 1.00 10.00 H new ATOM 0 HG3 LYS A 78 39.544 12.689 6.643 1.00 10.00 H new ATOM 0 HD2 LYS A 78 41.702 13.270 5.603 1.00 10.00 H new ATOM 0 HD3 LYS A 78 42.468 11.863 6.313 1.00 10.00 H new ATOM 0 HE2 LYS A 78 42.002 11.296 4.026 1.00 10.00 H new ATOM 0 HE3 LYS A 78 40.852 10.402 5.000 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 39.790 11.407 3.093 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 39.178 12.088 4.523 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 40.292 12.955 3.579 1.00 10.00 H new ATOM 1196 N ASP A 79 37.741 12.040 8.983 1.00 10.00 N ATOM 1197 CA ASP A 79 36.293 12.254 8.859 1.00 10.00 C ATOM 1198 C ASP A 79 35.631 12.537 10.223 1.00 10.00 C ATOM 1199 O ASP A 79 34.679 13.314 10.303 1.00 10.00 O ATOM 1200 CB ASP A 79 35.656 11.029 8.187 1.00 10.00 C ATOM 1201 CG ASP A 79 34.176 11.268 7.841 1.00 10.00 C ATOM 1202 OD1 ASP A 79 33.892 12.075 6.922 1.00 10.00 O ATOM 1203 OD2 ASP A 79 33.294 10.627 8.461 1.00 10.00 O ATOM 0 H ASP A 79 38.028 11.077 8.806 1.00 10.00 H new ATOM 0 HA ASP A 79 36.128 13.137 8.242 1.00 10.00 H new ATOM 0 HB2 ASP A 79 36.207 10.787 7.278 1.00 10.00 H new ATOM 0 HB3 ASP A 79 35.739 10.167 8.849 1.00 10.00 H new ATOM 1208 N ILE A 80 36.175 11.962 11.304 1.00 10.00 N ATOM 1209 CA ILE A 80 35.744 12.226 12.688 1.00 10.00 C ATOM 1210 C ILE A 80 36.163 13.636 13.134 1.00 10.00 C ATOM 1211 O ILE A 80 35.387 14.355 13.765 1.00 10.00 O ATOM 1212 CB ILE A 80 36.300 11.148 13.652 1.00 10.00 C ATOM 1213 CG1 ILE A 80 36.087 9.695 13.159 1.00 10.00 C ATOM 1214 CG2 ILE A 80 35.700 11.316 15.060 1.00 10.00 C ATOM 1215 CD1 ILE A 80 34.629 9.296 12.885 1.00 10.00 C ATOM 0 H ILE A 80 36.939 11.289 11.243 1.00 10.00 H new ATOM 0 HA ILE A 80 34.656 12.176 12.720 1.00 10.00 H new ATOM 0 HB ILE A 80 37.377 11.310 13.684 1.00 10.00 H new ATOM 0 HG12 ILE A 80 36.662 9.552 12.244 1.00 10.00 H new ATOM 0 HG13 ILE A 80 36.498 9.013 13.904 1.00 10.00 H new ATOM 0 HG21 ILE A 80 36.103 10.549 15.721 1.00 10.00 H new ATOM 0 HG22 ILE A 80 35.955 12.302 15.449 1.00 10.00 H new ATOM 0 HG23 ILE A 80 34.616 11.216 15.008 1.00 10.00 H new ATOM 0 HD11 ILE A 80 34.593 8.261 12.545 1.00 10.00 H new ATOM 0 HD12 ILE A 80 34.046 9.398 13.800 1.00 10.00 H new ATOM 0 HD13 ILE A 80 34.213 9.945 12.115 1.00 10.00 H new ATOM 1227 N ASP A 81 37.372 14.068 12.761 1.00 10.00 N ATOM 1228 CA ASP A 81 37.865 15.431 13.010 1.00 10.00 C ATOM 1229 C ASP A 81 37.066 16.506 12.243 1.00 10.00 C ATOM 1230 O ASP A 81 36.803 17.588 12.772 1.00 10.00 O ATOM 1231 CB ASP A 81 39.356 15.501 12.657 1.00 10.00 C ATOM 1232 CG ASP A 81 39.966 16.867 13.014 1.00 10.00 C ATOM 1233 OD1 ASP A 81 40.170 17.141 14.221 1.00 10.00 O ATOM 1234 OD2 ASP A 81 40.269 17.660 12.089 1.00 10.00 O ATOM 0 H ASP A 81 38.045 13.477 12.273 1.00 10.00 H new ATOM 0 HA ASP A 81 37.724 15.649 14.069 1.00 10.00 H new ATOM 0 HB2 ASP A 81 39.892 14.714 13.188 1.00 10.00 H new ATOM 0 HB3 ASP A 81 39.486 15.313 11.591 1.00 10.00 H new ATOM 1239 N SER A 82 36.617 16.187 11.024 1.00 10.00 N ATOM 1240 CA SER A 82 35.833 17.083 10.153 1.00 10.00 C ATOM 1241 C SER A 82 34.480 17.524 10.741 1.00 10.00 C ATOM 1242 O SER A 82 33.925 18.535 10.304 1.00 10.00 O ATOM 1243 CB SER A 82 35.604 16.440 8.778 1.00 10.00 C ATOM 1244 OG SER A 82 36.832 16.243 8.092 1.00 10.00 O ATOM 0 H SER A 82 36.791 15.275 10.601 1.00 10.00 H new ATOM 0 HA SER A 82 36.438 17.985 10.060 1.00 10.00 H new ATOM 0 HB2 SER A 82 35.096 15.484 8.901 1.00 10.00 H new ATOM 0 HB3 SER A 82 34.949 17.075 8.181 1.00 10.00 H new ATOM 0 HG SER A 82 37.344 15.535 8.535 1.00 10.00 H new ATOM 1250 N SER A 83 33.955 16.832 11.759 1.00 10.00 N ATOM 1251 CA SER A 83 32.728 17.216 12.484 1.00 10.00 C ATOM 1252 C SER A 83 32.814 18.573 13.210 1.00 10.00 C ATOM 1253 O SER A 83 31.780 19.123 13.595 1.00 10.00 O ATOM 1254 CB SER A 83 32.345 16.130 13.498 1.00 10.00 C ATOM 1255 OG SER A 83 32.122 14.883 12.852 1.00 10.00 O ATOM 0 H SER A 83 34.376 15.972 12.112 1.00 10.00 H new ATOM 0 HA SER A 83 31.963 17.321 11.715 1.00 10.00 H new ATOM 0 HB2 SER A 83 33.138 16.023 14.238 1.00 10.00 H new ATOM 0 HB3 SER A 83 31.446 16.431 14.036 1.00 10.00 H new ATOM 0 HG SER A 83 31.881 14.207 13.520 1.00 10.00 H new