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 56 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 60 MET CE :methyl -162:sc= -1.67 (180deg=-3.59!) USER MOD Set 2.1: A 33 ASN : amide:sc= 1.17 K(o=2.1,f=-0.16) USER MOD Set 2.2: A 37 GLN : amide:sc= 0.941 K(o=2.1,f=0.36) 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=-0.056) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 42 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 44 THR OG1 : rot 54:sc= 1.27 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.92 K(o=-1.9,f=-0.55) 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= -0.464 X(o=-0.46,f=-0.27) USER MOD Single : A 57 GLN : amide:sc= -0.175 X(o=-0.17,f=-0.17) USER MOD Single : A 58 MET CE :methyl 167:sc=-0.00346 (180deg=-0.179) USER MOD Single : A 61 SER OG : rot 81:sc= 0.00148 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) 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 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 461 N LEU A 32 49.888 -12.453 16.601 1.00 10.00 N ATOM 462 CA LEU A 32 49.120 -12.894 15.428 1.00 10.00 C ATOM 463 C LEU A 32 50.061 -13.256 14.266 1.00 10.00 C ATOM 464 O LEU A 32 49.926 -14.297 13.625 1.00 10.00 O ATOM 465 CB LEU A 32 48.159 -11.749 15.038 1.00 10.00 C ATOM 466 CG LEU A 32 46.857 -12.143 14.307 1.00 10.00 C ATOM 467 CD1 LEU A 32 46.184 -10.874 13.778 1.00 10.00 C ATOM 468 CD2 LEU A 32 47.053 -13.094 13.130 1.00 10.00 C ATOM 0 HA LEU A 32 48.549 -13.793 15.662 1.00 10.00 H new ATOM 0 HB2 LEU A 32 47.888 -11.211 15.946 1.00 10.00 H new ATOM 0 HB3 LEU A 32 48.705 -11.050 14.404 1.00 10.00 H new ATOM 0 HG LEU A 32 46.249 -12.670 15.043 1.00 10.00 H new ATOM 0 HD11 LEU A 32 45.263 -11.140 13.259 1.00 10.00 H new ATOM 0 HD12 LEU A 32 45.953 -10.210 14.611 1.00 10.00 H new ATOM 0 HD13 LEU A 32 46.856 -10.367 13.086 1.00 10.00 H new ATOM 0 HD21 LEU A 32 46.087 -13.316 12.677 1.00 10.00 H new ATOM 0 HD22 LEU A 32 47.702 -12.627 12.389 1.00 10.00 H new ATOM 0 HD23 LEU A 32 47.510 -14.019 13.482 1.00 10.00 H new ATOM 480 N ASN A 33 51.078 -12.425 14.034 1.00 10.00 N ATOM 481 CA ASN A 33 52.126 -12.729 13.056 1.00 10.00 C ATOM 482 C ASN A 33 52.971 -13.954 13.465 1.00 10.00 C ATOM 483 O ASN A 33 53.346 -14.750 12.607 1.00 10.00 O ATOM 484 CB ASN A 33 52.976 -11.476 12.797 1.00 10.00 C ATOM 485 CG ASN A 33 53.917 -11.687 11.623 1.00 10.00 C ATOM 486 OD1 ASN A 33 55.051 -12.116 11.775 1.00 10.00 O ATOM 487 ND2 ASN A 33 53.477 -11.418 10.414 1.00 10.00 N ATOM 0 H ASN A 33 51.199 -11.532 14.512 1.00 10.00 H new ATOM 0 HA ASN A 33 51.651 -13.011 12.116 1.00 10.00 H new ATOM 0 HB2 ASN A 33 52.324 -10.626 12.596 1.00 10.00 H new ATOM 0 HB3 ASN A 33 53.552 -11.233 13.690 1.00 10.00 H new ATOM 0 HD21 ASN A 33 54.082 -11.568 9.606 1.00 10.00 H new ATOM 0 HD22 ASN A 33 52.531 -11.060 10.284 1.00 10.00 H new ATOM 494 N LYS A 34 53.203 -14.169 14.766 1.00 10.00 N ATOM 495 CA LYS A 34 53.858 -15.382 15.295 1.00 10.00 C ATOM 496 C LYS A 34 53.013 -16.646 15.083 1.00 10.00 C ATOM 497 O LYS A 34 53.555 -17.674 14.679 1.00 10.00 O ATOM 498 CB LYS A 34 54.249 -15.168 16.768 1.00 10.00 C ATOM 499 CG LYS A 34 55.219 -16.251 17.268 1.00 10.00 C ATOM 500 CD LYS A 34 55.694 -15.950 18.699 1.00 10.00 C ATOM 501 CE LYS A 34 56.769 -16.938 19.184 1.00 10.00 C ATOM 502 NZ LYS A 34 56.232 -18.306 19.412 1.00 10.00 N ATOM 0 H LYS A 34 52.940 -13.502 15.492 1.00 10.00 H new ATOM 0 HA LYS A 34 54.772 -15.551 14.726 1.00 10.00 H new ATOM 0 HB2 LYS A 34 54.710 -14.187 16.882 1.00 10.00 H new ATOM 0 HB3 LYS A 34 53.351 -15.172 17.386 1.00 10.00 H new ATOM 0 HG2 LYS A 34 54.728 -17.224 17.241 1.00 10.00 H new ATOM 0 HG3 LYS A 34 56.079 -16.310 16.601 1.00 10.00 H new ATOM 0 HD2 LYS A 34 56.092 -14.936 18.740 1.00 10.00 H new ATOM 0 HD3 LYS A 34 54.841 -15.985 19.376 1.00 10.00 H new ATOM 0 HE2 LYS A 34 57.571 -16.985 18.448 1.00 10.00 H new ATOM 0 HE3 LYS A 34 57.207 -16.566 20.110 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 56.998 -18.930 19.737 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 55.485 -18.270 20.134 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 55.837 -18.677 18.524 1.00 10.00 H new ATOM 516 N GLN A 35 51.690 -16.560 15.250 1.00 10.00 N ATOM 517 CA GLN A 35 50.743 -17.626 14.877 1.00 10.00 C ATOM 518 C GLN A 35 50.826 -17.948 13.380 1.00 10.00 C ATOM 519 O GLN A 35 50.803 -19.110 12.982 1.00 10.00 O ATOM 520 CB GLN A 35 49.288 -17.240 15.211 1.00 10.00 C ATOM 521 CG GLN A 35 48.958 -17.150 16.707 1.00 10.00 C ATOM 522 CD GLN A 35 47.522 -16.678 16.945 1.00 10.00 C ATOM 523 OE1 GLN A 35 46.572 -17.141 16.326 1.00 10.00 O ATOM 524 NE2 GLN A 35 47.286 -15.746 17.843 1.00 10.00 N ATOM 0 H GLN A 35 51.237 -15.740 15.653 1.00 10.00 H new ATOM 0 HA GLN A 35 51.027 -18.503 15.459 1.00 10.00 H new ATOM 0 HB2 GLN A 35 49.070 -16.277 14.750 1.00 10.00 H new ATOM 0 HB3 GLN A 35 48.622 -17.971 14.753 1.00 10.00 H new ATOM 0 HG2 GLN A 35 49.101 -18.126 17.170 1.00 10.00 H new ATOM 0 HG3 GLN A 35 49.652 -16.463 17.191 1.00 10.00 H new ATOM 0 HE21 GLN A 35 48.058 -15.342 18.374 1.00 10.00 H new ATOM 0 HE22 GLN A 35 46.331 -15.427 18.008 1.00 10.00 H new ATOM 533 N LEU A 36 50.956 -16.921 12.541 1.00 10.00 N ATOM 534 CA LEU A 36 51.059 -17.068 11.090 1.00 10.00 C ATOM 535 C LEU A 36 52.400 -17.661 10.645 1.00 10.00 C ATOM 536 O LEU A 36 52.416 -18.512 9.760 1.00 10.00 O ATOM 537 CB LEU A 36 50.765 -15.722 10.445 1.00 10.00 C ATOM 538 CG LEU A 36 50.598 -15.829 8.923 1.00 10.00 C ATOM 539 CD1 LEU A 36 49.539 -16.810 8.420 1.00 10.00 C ATOM 540 CD2 LEU A 36 50.154 -14.453 8.469 1.00 10.00 C ATOM 0 H LEU A 36 50.993 -15.951 12.854 1.00 10.00 H new ATOM 0 HA LEU A 36 50.318 -17.793 10.753 1.00 10.00 H new ATOM 0 HB2 LEU A 36 49.857 -15.304 10.879 1.00 10.00 H new ATOM 0 HB3 LEU A 36 51.575 -15.029 10.671 1.00 10.00 H new ATOM 0 HG LEU A 36 51.547 -16.193 8.530 1.00 10.00 H new ATOM 0 HD11 LEU A 36 49.517 -16.795 7.330 1.00 10.00 H new ATOM 0 HD12 LEU A 36 49.782 -17.815 8.764 1.00 10.00 H new ATOM 0 HD13 LEU A 36 48.562 -16.520 8.807 1.00 10.00 H new ATOM 0 HD21 LEU A 36 50.014 -14.454 7.388 1.00 10.00 H new ATOM 0 HD22 LEU A 36 49.214 -14.195 8.956 1.00 10.00 H new ATOM 0 HD23 LEU A 36 50.914 -13.719 8.736 1.00 10.00 H new ATOM 552 N GLN A 37 53.506 -17.293 11.293 1.00 10.00 N ATOM 553 CA GLN A 37 54.799 -17.951 11.083 1.00 10.00 C ATOM 554 C GLN A 37 54.799 -19.404 11.584 1.00 10.00 C ATOM 555 O GLN A 37 55.422 -20.262 10.964 1.00 10.00 O ATOM 556 CB GLN A 37 55.934 -17.153 11.743 1.00 10.00 C ATOM 557 CG GLN A 37 56.240 -15.843 10.997 1.00 10.00 C ATOM 558 CD GLN A 37 57.443 -15.111 11.596 1.00 10.00 C ATOM 559 OE1 GLN A 37 58.534 -15.653 11.735 1.00 10.00 O ATOM 560 NE2 GLN A 37 57.314 -13.857 11.974 1.00 10.00 N ATOM 0 H GLN A 37 53.533 -16.535 11.975 1.00 10.00 H new ATOM 0 HA GLN A 37 54.971 -17.978 10.007 1.00 10.00 H new ATOM 0 HB2 GLN A 37 55.663 -16.926 12.774 1.00 10.00 H new ATOM 0 HB3 GLN A 37 56.834 -17.767 11.778 1.00 10.00 H new ATOM 0 HG2 GLN A 37 56.434 -16.060 9.947 1.00 10.00 H new ATOM 0 HG3 GLN A 37 55.366 -15.193 11.032 1.00 10.00 H new ATOM 0 HE21 GLN A 37 56.417 -13.382 11.869 1.00 10.00 H new ATOM 0 HE22 GLN A 37 58.111 -13.360 12.372 1.00 10.00 H new ATOM 569 N ASP A 38 54.058 -19.721 12.649 1.00 10.00 N ATOM 570 CA ASP A 38 53.820 -21.109 13.068 1.00 10.00 C ATOM 571 C ASP A 38 52.966 -21.877 12.045 1.00 10.00 C ATOM 572 O ASP A 38 53.257 -23.036 11.743 1.00 10.00 O ATOM 573 CB ASP A 38 53.201 -21.154 14.472 1.00 10.00 C ATOM 574 CG ASP A 38 53.047 -22.601 14.972 1.00 10.00 C ATOM 575 OD1 ASP A 38 54.072 -23.229 15.332 1.00 10.00 O ATOM 576 OD2 ASP A 38 51.902 -23.110 15.018 1.00 10.00 O ATOM 0 H ASP A 38 53.607 -19.027 13.245 1.00 10.00 H new ATOM 0 HA ASP A 38 54.785 -21.613 13.111 1.00 10.00 H new ATOM 0 HB2 ASP A 38 53.827 -20.593 15.165 1.00 10.00 H new ATOM 0 HB3 ASP A 38 52.226 -20.667 14.457 1.00 10.00 H new ATOM 581 N ALA A 39 51.980 -21.222 11.421 1.00 10.00 N ATOM 582 CA ALA A 39 51.257 -21.792 10.284 1.00 10.00 C ATOM 583 C ALA A 39 52.209 -22.082 9.126 1.00 10.00 C ATOM 584 O ALA A 39 52.213 -23.183 8.588 1.00 10.00 O ATOM 585 CB ALA A 39 50.108 -20.888 9.804 1.00 10.00 C ATOM 0 H ALA A 39 51.665 -20.290 11.689 1.00 10.00 H new ATOM 0 HA ALA A 39 50.817 -22.726 10.632 1.00 10.00 H new ATOM 0 HB1 ALA A 39 49.604 -21.357 8.959 1.00 10.00 H new ATOM 0 HB2 ALA A 39 49.396 -20.743 10.616 1.00 10.00 H new ATOM 0 HB3 ALA A 39 50.509 -19.922 9.496 1.00 10.00 H new ATOM 591 N GLN A 40 53.062 -21.111 8.802 1.00 10.00 N ATOM 592 CA GLN A 40 54.070 -21.187 7.751 1.00 10.00 C ATOM 593 C GLN A 40 55.142 -22.238 8.049 1.00 10.00 C ATOM 594 O GLN A 40 55.742 -22.741 7.111 1.00 10.00 O ATOM 595 CB GLN A 40 54.698 -19.791 7.569 1.00 10.00 C ATOM 596 CG GLN A 40 55.418 -19.624 6.220 1.00 10.00 C ATOM 597 CD GLN A 40 55.992 -18.220 6.006 1.00 10.00 C ATOM 598 OE1 GLN A 40 55.767 -17.280 6.757 1.00 10.00 O ATOM 599 NE2 GLN A 40 56.768 -18.020 4.960 1.00 10.00 N ATOM 0 H GLN A 40 53.068 -20.213 9.286 1.00 10.00 H new ATOM 0 HA GLN A 40 53.587 -21.501 6.826 1.00 10.00 H new ATOM 0 HB2 GLN A 40 53.918 -19.034 7.654 1.00 10.00 H new ATOM 0 HB3 GLN A 40 55.407 -19.610 8.377 1.00 10.00 H new ATOM 0 HG2 GLN A 40 56.226 -20.353 6.155 1.00 10.00 H new ATOM 0 HG3 GLN A 40 54.720 -19.850 5.414 1.00 10.00 H new ATOM 0 HE21 GLN A 40 56.970 -18.788 4.320 1.00 10.00 H new ATOM 0 HE22 GLN A 40 57.167 -17.097 4.790 1.00 10.00 H new ATOM 608 N ALA A 41 55.396 -22.597 9.310 1.00 10.00 N ATOM 609 CA ALA A 41 56.239 -23.736 9.697 1.00 10.00 C ATOM 610 C ALA A 41 55.542 -25.100 9.630 1.00 10.00 C ATOM 611 O ALA A 41 56.170 -26.064 9.190 1.00 10.00 O ATOM 612 CB ALA A 41 56.878 -23.472 11.054 1.00 10.00 C ATOM 0 H ALA A 41 55.013 -22.093 10.110 1.00 10.00 H new ATOM 0 HA ALA A 41 57.024 -23.812 8.944 1.00 10.00 H new ATOM 0 HB1 ALA A 41 57.501 -24.321 11.334 1.00 10.00 H new ATOM 0 HB2 ALA A 41 57.492 -22.573 10.998 1.00 10.00 H new ATOM 0 HB3 ALA A 41 56.098 -23.332 11.802 1.00 10.00 H new ATOM 618 N ASN A 42 54.255 -25.206 9.984 1.00 10.00 N ATOM 619 CA ASN A 42 53.496 -26.430 9.706 1.00 10.00 C ATOM 620 C ASN A 42 53.409 -26.618 8.182 1.00 10.00 C ATOM 621 O ASN A 42 53.491 -27.737 7.677 1.00 10.00 O ATOM 622 CB ASN A 42 52.105 -26.412 10.370 1.00 10.00 C ATOM 623 CG ASN A 42 52.162 -26.619 11.876 1.00 10.00 C ATOM 624 OD1 ASN A 42 51.980 -27.720 12.377 1.00 10.00 O ATOM 625 ND2 ASN A 42 52.418 -25.593 12.653 1.00 10.00 N ATOM 0 H ASN A 42 53.726 -24.473 10.455 1.00 10.00 H new ATOM 0 HA ASN A 42 54.016 -27.283 10.143 1.00 10.00 H new ATOM 0 HB2 ASN A 42 51.620 -25.459 10.158 1.00 10.00 H new ATOM 0 HB3 ASN A 42 51.486 -27.191 9.925 1.00 10.00 H new ATOM 0 HD21 ASN A 42 52.464 -25.718 13.664 1.00 10.00 H new ATOM 0 HD22 ASN A 42 52.571 -24.671 12.246 1.00 10.00 H new ATOM 632 N LEU A 43 53.340 -25.502 7.448 1.00 10.00 N ATOM 633 CA LEU A 43 53.473 -25.453 6.012 1.00 10.00 C ATOM 634 C LEU A 43 54.903 -25.729 5.561 1.00 10.00 C ATOM 635 O LEU A 43 55.095 -26.440 4.600 1.00 10.00 O ATOM 636 CB LEU A 43 52.950 -24.094 5.503 1.00 10.00 C ATOM 637 CG LEU A 43 52.375 -24.213 4.102 1.00 10.00 C ATOM 638 CD1 LEU A 43 51.096 -25.023 4.200 1.00 10.00 C ATOM 639 CD2 LEU A 43 51.985 -22.883 3.480 1.00 10.00 C ATOM 0 H LEU A 43 53.184 -24.584 7.864 1.00 10.00 H new ATOM 0 HA LEU A 43 52.869 -26.247 5.572 1.00 10.00 H new ATOM 0 HB2 LEU A 43 52.184 -23.719 6.182 1.00 10.00 H new ATOM 0 HB3 LEU A 43 53.761 -23.366 5.505 1.00 10.00 H new ATOM 0 HG LEU A 43 53.150 -24.664 3.482 1.00 10.00 H new ATOM 0 HD11 LEU A 43 50.655 -25.128 3.209 1.00 10.00 H new ATOM 0 HD12 LEU A 43 51.321 -26.010 4.604 1.00 10.00 H new ATOM 0 HD13 LEU A 43 50.392 -24.513 4.858 1.00 10.00 H new ATOM 0 HD21 LEU A 43 51.583 -23.052 2.481 1.00 10.00 H new ATOM 0 HD22 LEU A 43 51.228 -22.400 4.098 1.00 10.00 H new ATOM 0 HD23 LEU A 43 52.863 -22.241 3.414 1.00 10.00 H new ATOM 651 N THR A 44 55.934 -25.275 6.261 1.00 10.00 N ATOM 652 CA THR A 44 57.326 -25.527 5.852 1.00 10.00 C ATOM 653 C THR A 44 57.639 -27.023 5.864 1.00 10.00 C ATOM 654 O THR A 44 58.337 -27.533 4.984 1.00 10.00 O ATOM 655 CB THR A 44 58.336 -24.790 6.735 1.00 10.00 C ATOM 656 OG1 THR A 44 58.297 -23.402 6.483 1.00 10.00 O ATOM 657 CG2 THR A 44 59.754 -25.256 6.452 1.00 10.00 C ATOM 0 H THR A 44 55.841 -24.729 7.117 1.00 10.00 H new ATOM 0 HA THR A 44 57.421 -25.143 4.836 1.00 10.00 H new ATOM 0 HB THR A 44 58.066 -25.004 7.769 1.00 10.00 H new ATOM 0 HG1 THR A 44 57.379 -23.076 6.588 1.00 10.00 H new ATOM 0 HG21 THR A 44 60.450 -24.715 7.094 1.00 10.00 H new ATOM 0 HG22 THR A 44 59.832 -26.325 6.651 1.00 10.00 H new ATOM 0 HG23 THR A 44 59.999 -25.063 5.408 1.00 10.00 H new ATOM 665 N LYS A 45 57.095 -27.734 6.855 1.00 10.00 N ATOM 666 CA LYS A 45 57.185 -29.197 6.953 1.00 10.00 C ATOM 667 C LYS A 45 56.568 -29.923 5.754 1.00 10.00 C ATOM 668 O LYS A 45 57.091 -30.957 5.335 1.00 10.00 O ATOM 669 CB LYS A 45 56.540 -29.640 8.268 1.00 10.00 C ATOM 670 CG LYS A 45 57.365 -29.295 9.508 1.00 10.00 C ATOM 671 CD LYS A 45 56.623 -29.778 10.763 1.00 10.00 C ATOM 672 CE LYS A 45 57.493 -29.671 12.017 1.00 10.00 C ATOM 673 NZ LYS A 45 57.758 -28.262 12.414 1.00 10.00 N ATOM 0 H LYS A 45 56.574 -27.308 7.621 1.00 10.00 H new ATOM 0 HA LYS A 45 58.239 -29.474 6.941 1.00 10.00 H new ATOM 0 HB2 LYS A 45 55.558 -29.174 8.355 1.00 10.00 H new ATOM 0 HB3 LYS A 45 56.380 -30.718 8.238 1.00 10.00 H new ATOM 0 HG2 LYS A 45 58.346 -29.766 9.448 1.00 10.00 H new ATOM 0 HG3 LYS A 45 57.530 -28.219 9.561 1.00 10.00 H new ATOM 0 HD2 LYS A 45 55.717 -29.188 10.899 1.00 10.00 H new ATOM 0 HD3 LYS A 45 56.311 -30.813 10.625 1.00 10.00 H new ATOM 0 HE2 LYS A 45 57.002 -30.190 12.840 1.00 10.00 H new ATOM 0 HE3 LYS A 45 58.441 -30.179 11.841 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 58.351 -28.248 13.268 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 58.252 -27.771 11.642 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 56.857 -27.781 12.610 1.00 10.00 H new ATOM 687 N ASN A 46 55.500 -29.372 5.178 1.00 10.00 N ATOM 688 CA ASN A 46 54.859 -29.851 3.967 1.00 10.00 C ATOM 689 C ASN A 46 54.178 -28.701 3.191 1.00 10.00 C ATOM 690 O ASN A 46 52.993 -28.451 3.418 1.00 10.00 O ATOM 691 CB ASN A 46 53.936 -30.998 4.373 1.00 10.00 C ATOM 692 CG ASN A 46 53.551 -31.872 3.184 1.00 10.00 C ATOM 693 OD1 ASN A 46 53.934 -33.029 3.091 1.00 10.00 O ATOM 694 ND2 ASN A 46 52.842 -31.358 2.206 1.00 10.00 N ATOM 0 H ASN A 46 55.043 -28.545 5.563 1.00 10.00 H new ATOM 0 HA ASN A 46 55.583 -30.238 3.250 1.00 10.00 H new ATOM 0 HB2 ASN A 46 54.430 -31.610 5.128 1.00 10.00 H new ATOM 0 HB3 ASN A 46 53.034 -30.592 4.831 1.00 10.00 H new ATOM 0 HD21 ASN A 46 52.619 -31.922 1.386 1.00 10.00 H new ATOM 0 HD22 ASN A 46 52.514 -30.394 2.266 1.00 10.00 H new ATOM 701 N PRO A 47 54.909 -27.980 2.310 1.00 10.00 N ATOM 702 CA PRO A 47 54.466 -26.731 1.673 1.00 10.00 C ATOM 703 C PRO A 47 53.068 -26.656 1.057 1.00 10.00 C ATOM 704 O PRO A 47 52.519 -25.556 0.976 1.00 10.00 O ATOM 705 CB PRO A 47 55.554 -26.392 0.672 1.00 10.00 C ATOM 706 CG PRO A 47 56.819 -26.847 1.392 1.00 10.00 C ATOM 707 CD PRO A 47 56.362 -28.081 2.169 1.00 10.00 C ATOM 0 HA PRO A 47 54.333 -26.000 2.471 1.00 10.00 H new ATOM 0 HB2 PRO A 47 55.414 -26.917 -0.273 1.00 10.00 H new ATOM 0 HB3 PRO A 47 55.578 -25.326 0.444 1.00 10.00 H new ATOM 0 HG2 PRO A 47 57.617 -27.088 0.689 1.00 10.00 H new ATOM 0 HG3 PRO A 47 57.203 -26.073 2.057 1.00 10.00 H new ATOM 0 HD2 PRO A 47 56.636 -28.994 1.640 1.00 10.00 H new ATOM 0 HD3 PRO A 47 56.843 -28.122 3.146 1.00 10.00 H new ATOM 715 N SER A 48 52.456 -27.780 0.674 1.00 10.00 N ATOM 716 CA SER A 48 51.066 -27.843 0.264 1.00 10.00 C ATOM 717 C SER A 48 50.229 -28.930 0.939 1.00 10.00 C ATOM 718 O SER A 48 49.293 -29.476 0.353 1.00 10.00 O ATOM 719 CB SER A 48 51.033 -27.835 -1.252 1.00 10.00 C ATOM 720 OG SER A 48 51.498 -29.054 -1.814 1.00 10.00 O ATOM 0 H SER A 48 52.928 -28.683 0.643 1.00 10.00 H new ATOM 0 HA SER A 48 50.546 -26.958 0.632 1.00 10.00 H new ATOM 0 HB2 SER A 48 50.013 -27.649 -1.589 1.00 10.00 H new ATOM 0 HB3 SER A 48 51.645 -27.012 -1.621 1.00 10.00 H new ATOM 0 HG SER A 48 51.456 -29.001 -2.792 1.00 10.00 H new ATOM 726 N ASP A 49 50.578 -29.252 2.188 1.00 10.00 N ATOM 727 CA ASP A 49 49.733 -30.078 3.062 1.00 10.00 C ATOM 728 C ASP A 49 48.433 -29.282 3.245 1.00 10.00 C ATOM 729 O ASP A 49 48.484 -28.116 3.637 1.00 10.00 O ATOM 730 CB ASP A 49 50.449 -30.412 4.381 1.00 10.00 C ATOM 731 CG ASP A 49 49.543 -30.979 5.498 1.00 10.00 C ATOM 732 OD1 ASP A 49 48.510 -30.362 5.843 1.00 10.00 O ATOM 733 OD2 ASP A 49 49.870 -32.066 6.032 1.00 10.00 O ATOM 0 H ASP A 49 51.450 -28.950 2.622 1.00 10.00 H new ATOM 0 HA ASP A 49 49.514 -31.054 2.630 1.00 10.00 H new ATOM 0 HB2 ASP A 49 51.238 -31.135 4.174 1.00 10.00 H new ATOM 0 HB3 ASP A 49 50.933 -29.508 4.752 1.00 10.00 H new ATOM 738 N PRO A 50 47.265 -29.853 2.936 1.00 10.00 N ATOM 739 CA PRO A 50 46.037 -29.084 2.860 1.00 10.00 C ATOM 740 C PRO A 50 45.502 -28.575 4.193 1.00 10.00 C ATOM 741 O PRO A 50 44.824 -27.557 4.194 1.00 10.00 O ATOM 742 CB PRO A 50 45.041 -30.000 2.182 1.00 10.00 C ATOM 743 CG PRO A 50 45.537 -31.413 2.501 1.00 10.00 C ATOM 744 CD PRO A 50 47.048 -31.244 2.598 1.00 10.00 C ATOM 0 HA PRO A 50 46.224 -28.162 2.309 1.00 10.00 H new ATOM 0 HB2 PRO A 50 44.032 -29.839 2.562 1.00 10.00 H new ATOM 0 HB3 PRO A 50 45.009 -29.824 1.107 1.00 10.00 H new ATOM 0 HG2 PRO A 50 45.114 -31.786 3.434 1.00 10.00 H new ATOM 0 HG3 PRO A 50 45.261 -32.121 1.720 1.00 10.00 H new ATOM 0 HD2 PRO A 50 47.468 -31.902 3.359 1.00 10.00 H new ATOM 0 HD3 PRO A 50 47.532 -31.498 1.655 1.00 10.00 H new ATOM 752 N THR A 51 45.808 -29.217 5.320 1.00 10.00 N ATOM 753 CA THR A 51 45.487 -28.683 6.654 1.00 10.00 C ATOM 754 C THR A 51 46.483 -27.615 7.062 1.00 10.00 C ATOM 755 O THR A 51 46.066 -26.589 7.580 1.00 10.00 O ATOM 756 CB THR A 51 45.502 -29.810 7.681 1.00 10.00 C ATOM 757 OG1 THR A 51 44.350 -30.616 7.535 1.00 10.00 O ATOM 758 CG2 THR A 51 45.566 -29.327 9.128 1.00 10.00 C ATOM 0 H THR A 51 46.284 -30.119 5.340 1.00 10.00 H new ATOM 0 HA THR A 51 44.493 -28.237 6.613 1.00 10.00 H new ATOM 0 HB THR A 51 46.413 -30.375 7.482 1.00 10.00 H new ATOM 0 HG1 THR A 51 44.370 -31.338 8.198 1.00 10.00 H new ATOM 0 HG21 THR A 51 45.573 -30.186 9.798 1.00 10.00 H new ATOM 0 HG22 THR A 51 46.474 -28.743 9.277 1.00 10.00 H new ATOM 0 HG23 THR A 51 44.696 -28.706 9.343 1.00 10.00 H new ATOM 766 N ALA A 52 47.775 -27.791 6.800 1.00 10.00 N ATOM 767 CA ALA A 52 48.777 -26.743 6.961 1.00 10.00 C ATOM 768 C ALA A 52 48.429 -25.498 6.150 1.00 10.00 C ATOM 769 O ALA A 52 48.552 -24.378 6.644 1.00 10.00 O ATOM 770 CB ALA A 52 50.122 -27.347 6.542 1.00 10.00 C ATOM 0 H ALA A 52 48.159 -28.675 6.466 1.00 10.00 H new ATOM 0 HA ALA A 52 48.819 -26.407 7.997 1.00 10.00 H new ATOM 0 HB1 ALA A 52 50.906 -26.597 6.646 1.00 10.00 H new ATOM 0 HB2 ALA A 52 50.351 -28.202 7.178 1.00 10.00 H new ATOM 0 HB3 ALA A 52 50.067 -27.673 5.503 1.00 10.00 H new ATOM 776 N LEU A 53 47.959 -25.694 4.927 1.00 10.00 N ATOM 777 CA LEU A 53 47.629 -24.628 3.999 1.00 10.00 C ATOM 778 C LEU A 53 46.260 -24.027 4.326 1.00 10.00 C ATOM 779 O LEU A 53 46.102 -22.814 4.260 1.00 10.00 O ATOM 780 CB LEU A 53 47.774 -25.218 2.591 1.00 10.00 C ATOM 781 CG LEU A 53 47.958 -24.260 1.404 1.00 10.00 C ATOM 782 CD1 LEU A 53 48.509 -22.892 1.772 1.00 10.00 C ATOM 783 CD2 LEU A 53 48.980 -24.901 0.468 1.00 10.00 C ATOM 0 H LEU A 53 47.793 -26.625 4.545 1.00 10.00 H new ATOM 0 HA LEU A 53 48.302 -23.774 4.076 1.00 10.00 H new ATOM 0 HB2 LEU A 53 48.627 -25.896 2.603 1.00 10.00 H new ATOM 0 HB3 LEU A 53 46.889 -25.823 2.393 1.00 10.00 H new ATOM 0 HG LEU A 53 46.971 -24.105 0.969 1.00 10.00 H new ATOM 0 HD11 LEU A 53 48.605 -22.284 0.872 1.00 10.00 H new ATOM 0 HD12 LEU A 53 47.830 -22.402 2.470 1.00 10.00 H new ATOM 0 HD13 LEU A 53 49.487 -23.007 2.238 1.00 10.00 H new ATOM 0 HD21 LEU A 53 49.142 -24.252 -0.393 1.00 10.00 H new ATOM 0 HD22 LEU A 53 49.922 -25.042 0.999 1.00 10.00 H new ATOM 0 HD23 LEU A 53 48.607 -25.867 0.129 1.00 10.00 H new ATOM 795 N ALA A 54 45.304 -24.839 4.786 1.00 10.00 N ATOM 796 CA ALA A 54 44.040 -24.371 5.351 1.00 10.00 C ATOM 797 C ALA A 54 44.285 -23.531 6.614 1.00 10.00 C ATOM 798 O ALA A 54 43.673 -22.482 6.800 1.00 10.00 O ATOM 799 CB ALA A 54 43.161 -25.584 5.694 1.00 10.00 C ATOM 0 H ALA A 54 45.390 -25.855 4.775 1.00 10.00 H new ATOM 0 HA ALA A 54 43.536 -23.743 4.616 1.00 10.00 H new ATOM 0 HB1 ALA A 54 42.216 -25.241 6.116 1.00 10.00 H new ATOM 0 HB2 ALA A 54 42.966 -26.160 4.789 1.00 10.00 H new ATOM 0 HB3 ALA A 54 43.676 -26.213 6.420 1.00 10.00 H new ATOM 805 N ASN A 55 45.217 -23.975 7.458 1.00 10.00 N ATOM 806 CA ASN A 55 45.615 -23.327 8.698 1.00 10.00 C ATOM 807 C ASN A 55 46.280 -21.978 8.421 1.00 10.00 C ATOM 808 O ASN A 55 45.836 -20.945 8.914 1.00 10.00 O ATOM 809 CB ASN A 55 46.561 -24.281 9.442 1.00 10.00 C ATOM 810 CG ASN A 55 47.189 -23.711 10.685 1.00 10.00 C ATOM 811 OD1 ASN A 55 46.529 -23.347 11.644 1.00 10.00 O ATOM 812 ND2 ASN A 55 48.499 -23.653 10.691 1.00 10.00 N ATOM 0 H ASN A 55 45.736 -24.836 7.283 1.00 10.00 H new ATOM 0 HA ASN A 55 44.741 -23.119 9.315 1.00 10.00 H new ATOM 0 HB2 ASN A 55 46.007 -25.180 9.712 1.00 10.00 H new ATOM 0 HB3 ASN A 55 47.354 -24.588 8.760 1.00 10.00 H new ATOM 0 HD21 ASN A 55 48.990 -23.297 11.511 1.00 10.00 H new ATOM 0 HD22 ASN A 55 49.027 -23.964 9.876 1.00 10.00 H new ATOM 819 N TYR A 56 47.303 -21.989 7.567 1.00 10.00 N ATOM 820 CA TYR A 56 47.932 -20.775 7.036 1.00 10.00 C ATOM 821 C TYR A 56 46.927 -19.839 6.381 1.00 10.00 C ATOM 822 O TYR A 56 46.908 -18.674 6.747 1.00 10.00 O ATOM 823 CB TYR A 56 49.099 -21.190 6.126 1.00 10.00 C ATOM 824 CG TYR A 56 49.801 -20.161 5.263 1.00 10.00 C ATOM 825 CD1 TYR A 56 50.962 -19.520 5.741 1.00 10.00 C ATOM 826 CD2 TYR A 56 49.430 -20.024 3.912 1.00 10.00 C ATOM 827 CE1 TYR A 56 51.776 -18.782 4.859 1.00 10.00 C ATOM 828 CE2 TYR A 56 50.238 -19.286 3.027 1.00 10.00 C ATOM 829 CZ TYR A 56 51.426 -18.682 3.493 1.00 10.00 C ATOM 830 OH TYR A 56 52.225 -18.005 2.623 1.00 10.00 O ATOM 0 H TYR A 56 47.725 -22.850 7.219 1.00 10.00 H new ATOM 0 HA TYR A 56 48.340 -20.179 7.852 1.00 10.00 H new ATOM 0 HB2 TYR A 56 49.856 -21.648 6.762 1.00 10.00 H new ATOM 0 HB3 TYR A 56 48.728 -21.969 5.461 1.00 10.00 H new ATOM 0 HD1 TYR A 56 51.228 -19.595 6.785 1.00 10.00 H new ATOM 0 HD2 TYR A 56 48.522 -20.487 3.553 1.00 10.00 H new ATOM 0 HE1 TYR A 56 52.666 -18.293 5.226 1.00 10.00 H new ATOM 0 HE2 TYR A 56 49.949 -19.182 1.992 1.00 10.00 H new ATOM 0 HH TYR A 56 51.833 -18.038 1.725 1.00 10.00 H new ATOM 840 N GLN A 57 46.013 -20.312 5.537 1.00 10.00 N ATOM 841 CA GLN A 57 44.987 -19.448 4.938 1.00 10.00 C ATOM 842 C GLN A 57 44.016 -18.866 5.983 1.00 10.00 C ATOM 843 O GLN A 57 43.681 -17.688 5.909 1.00 10.00 O ATOM 844 CB GLN A 57 44.219 -20.184 3.828 1.00 10.00 C ATOM 845 CG GLN A 57 45.021 -20.270 2.517 1.00 10.00 C ATOM 846 CD GLN A 57 45.198 -18.909 1.841 1.00 10.00 C ATOM 847 OE1 GLN A 57 44.247 -18.249 1.441 1.00 10.00 O ATOM 848 NE2 GLN A 57 46.414 -18.425 1.686 1.00 10.00 N ATOM 0 H GLN A 57 45.958 -21.289 5.249 1.00 10.00 H new ATOM 0 HA GLN A 57 45.515 -18.605 4.493 1.00 10.00 H new ATOM 0 HB2 GLN A 57 43.972 -21.190 4.166 1.00 10.00 H new ATOM 0 HB3 GLN A 57 43.276 -19.671 3.641 1.00 10.00 H new ATOM 0 HG2 GLN A 57 46.002 -20.698 2.724 1.00 10.00 H new ATOM 0 HG3 GLN A 57 44.515 -20.949 1.830 1.00 10.00 H new ATOM 0 HE21 GLN A 57 47.220 -18.958 2.012 1.00 10.00 H new ATOM 0 HE22 GLN A 57 46.549 -17.517 1.240 1.00 10.00 H new ATOM 857 N MET A 58 43.603 -19.645 6.987 1.00 10.00 N ATOM 858 CA MET A 58 42.714 -19.208 8.075 1.00 10.00 C ATOM 859 C MET A 58 43.361 -18.151 8.974 1.00 10.00 C ATOM 860 O MET A 58 42.758 -17.113 9.260 1.00 10.00 O ATOM 861 CB MET A 58 42.302 -20.446 8.883 1.00 10.00 C ATOM 862 CG MET A 58 41.456 -20.155 10.129 1.00 10.00 C ATOM 863 SD MET A 58 41.151 -21.609 11.176 1.00 10.00 S ATOM 864 CE MET A 58 42.809 -21.874 11.875 1.00 10.00 C ATOM 0 H MET A 58 43.883 -20.622 7.071 1.00 10.00 H new ATOM 0 HA MET A 58 41.836 -18.729 7.642 1.00 10.00 H new ATOM 0 HB2 MET A 58 41.743 -21.117 8.231 1.00 10.00 H new ATOM 0 HB3 MET A 58 43.203 -20.977 9.190 1.00 10.00 H new ATOM 0 HG2 MET A 58 41.956 -19.391 10.724 1.00 10.00 H new ATOM 0 HG3 MET A 58 40.498 -19.739 9.816 1.00 10.00 H new ATOM 0 HE1 MET A 58 42.745 -22.576 12.707 1.00 10.00 H new ATOM 0 HE2 MET A 58 43.467 -22.280 11.107 1.00 10.00 H new ATOM 0 HE3 MET A 58 43.210 -20.925 12.231 1.00 10.00 H new ATOM 874 N ILE A 59 44.603 -18.383 9.399 1.00 10.00 N ATOM 875 CA ILE A 59 45.369 -17.446 10.207 1.00 10.00 C ATOM 876 C ILE A 59 45.735 -16.216 9.367 1.00 10.00 C ATOM 877 O ILE A 59 45.704 -15.098 9.871 1.00 10.00 O ATOM 878 CB ILE A 59 46.595 -18.191 10.767 1.00 10.00 C ATOM 879 CG1 ILE A 59 46.183 -19.326 11.738 1.00 10.00 C ATOM 880 CG2 ILE A 59 47.522 -17.245 11.524 1.00 10.00 C ATOM 881 CD1 ILE A 59 47.360 -20.227 12.115 1.00 10.00 C ATOM 0 H ILE A 59 45.109 -19.242 9.186 1.00 10.00 H new ATOM 0 HA ILE A 59 44.789 -17.074 11.051 1.00 10.00 H new ATOM 0 HB ILE A 59 47.111 -18.613 9.905 1.00 10.00 H new ATOM 0 HG12 ILE A 59 45.758 -18.890 12.642 1.00 10.00 H new ATOM 0 HG13 ILE A 59 45.401 -19.929 11.277 1.00 10.00 H new ATOM 0 HG21 ILE A 59 48.377 -17.802 11.906 1.00 10.00 H new ATOM 0 HG22 ILE A 59 47.871 -16.462 10.851 1.00 10.00 H new ATOM 0 HG23 ILE A 59 46.981 -16.794 12.356 1.00 10.00 H new ATOM 0 HD11 ILE A 59 47.018 -21.006 12.797 1.00 10.00 H new ATOM 0 HD12 ILE A 59 47.769 -20.686 11.215 1.00 10.00 H new ATOM 0 HD13 ILE A 59 48.132 -19.632 12.602 1.00 10.00 H new ATOM 893 N MET A 60 46.012 -16.392 8.073 1.00 10.00 N ATOM 894 CA MET A 60 46.279 -15.291 7.151 1.00 10.00 C ATOM 895 C MET A 60 45.048 -14.428 6.876 1.00 10.00 C ATOM 896 O MET A 60 45.185 -13.217 6.750 1.00 10.00 O ATOM 897 CB MET A 60 46.888 -15.798 5.843 1.00 10.00 C ATOM 898 CG MET A 60 47.643 -14.674 5.145 1.00 10.00 C ATOM 899 SD MET A 60 48.653 -15.214 3.746 1.00 10.00 S ATOM 900 CE MET A 60 49.993 -15.961 4.708 1.00 10.00 C ATOM 0 H MET A 60 46.057 -17.312 7.634 1.00 10.00 H new ATOM 0 HA MET A 60 47.006 -14.649 7.649 1.00 10.00 H new ATOM 0 HB2 MET A 60 47.564 -16.629 6.046 1.00 10.00 H new ATOM 0 HB3 MET A 60 46.102 -16.178 5.191 1.00 10.00 H new ATOM 0 HG2 MET A 60 46.925 -13.932 4.795 1.00 10.00 H new ATOM 0 HG3 MET A 60 48.286 -14.177 5.872 1.00 10.00 H new ATOM 0 HE1 MET A 60 50.874 -16.076 4.076 1.00 10.00 H new ATOM 0 HE2 MET A 60 50.235 -15.319 5.555 1.00 10.00 H new ATOM 0 HE3 MET A 60 49.678 -16.939 5.073 1.00 10.00 H new ATOM 910 N SER A 61 43.848 -15.009 6.847 1.00 10.00 N ATOM 911 CA SER A 61 42.587 -14.257 6.808 1.00 10.00 C ATOM 912 C SER A 61 42.453 -13.350 8.034 1.00 10.00 C ATOM 913 O SER A 61 42.160 -12.164 7.891 1.00 10.00 O ATOM 914 CB SER A 61 41.381 -15.204 6.711 1.00 10.00 C ATOM 915 OG SER A 61 41.212 -15.641 5.372 1.00 10.00 O ATOM 0 H SER A 61 43.720 -16.021 6.850 1.00 10.00 H new ATOM 0 HA SER A 61 42.603 -13.631 5.916 1.00 10.00 H new ATOM 0 HB2 SER A 61 41.529 -16.062 7.366 1.00 10.00 H new ATOM 0 HB3 SER A 61 40.480 -14.694 7.052 1.00 10.00 H new ATOM 0 HG SER A 61 41.839 -16.371 5.185 1.00 10.00 H new ATOM 921 N GLU A 62 42.744 -13.867 9.233 1.00 10.00 N ATOM 922 CA GLU A 62 42.764 -13.074 10.470 1.00 10.00 C ATOM 923 C GLU A 62 43.860 -11.993 10.461 1.00 10.00 C ATOM 924 O GLU A 62 43.602 -10.830 10.780 1.00 10.00 O ATOM 925 CB GLU A 62 42.911 -14.033 11.669 1.00 10.00 C ATOM 926 CG GLU A 62 42.647 -13.384 13.034 1.00 10.00 C ATOM 927 CD GLU A 62 41.150 -13.086 13.254 1.00 10.00 C ATOM 928 OE1 GLU A 62 40.417 -13.973 13.756 1.00 10.00 O ATOM 929 OE2 GLU A 62 40.695 -11.960 12.938 1.00 10.00 O ATOM 0 H GLU A 62 42.973 -14.851 9.374 1.00 10.00 H new ATOM 0 HA GLU A 62 41.823 -12.530 10.553 1.00 10.00 H new ATOM 0 HB2 GLU A 62 42.223 -14.868 11.538 1.00 10.00 H new ATOM 0 HB3 GLU A 62 43.919 -14.448 11.666 1.00 10.00 H new ATOM 0 HG2 GLU A 62 43.005 -14.044 13.824 1.00 10.00 H new ATOM 0 HG3 GLU A 62 43.216 -12.457 13.111 1.00 10.00 H new ATOM 936 N TYR A 63 45.070 -12.354 10.027 1.00 10.00 N ATOM 937 CA TYR A 63 46.211 -11.443 9.902 1.00 10.00 C ATOM 938 C TYR A 63 45.939 -10.291 8.928 1.00 10.00 C ATOM 939 O TYR A 63 46.163 -9.120 9.242 1.00 10.00 O ATOM 940 CB TYR A 63 47.442 -12.245 9.454 1.00 10.00 C ATOM 941 CG TYR A 63 48.654 -11.399 9.130 1.00 10.00 C ATOM 942 CD1 TYR A 63 49.327 -10.693 10.146 1.00 10.00 C ATOM 943 CD2 TYR A 63 49.092 -11.309 7.796 1.00 10.00 C ATOM 944 CE1 TYR A 63 50.438 -9.892 9.821 1.00 10.00 C ATOM 945 CE2 TYR A 63 50.212 -10.526 7.470 1.00 10.00 C ATOM 946 CZ TYR A 63 50.884 -9.807 8.483 1.00 10.00 C ATOM 947 OH TYR A 63 51.965 -9.037 8.186 1.00 10.00 O ATOM 0 H TYR A 63 45.289 -13.310 9.746 1.00 10.00 H new ATOM 0 HA TYR A 63 46.390 -10.989 10.877 1.00 10.00 H new ATOM 0 HB2 TYR A 63 47.707 -12.951 10.241 1.00 10.00 H new ATOM 0 HB3 TYR A 63 47.178 -12.832 8.574 1.00 10.00 H new ATOM 0 HD1 TYR A 63 48.992 -10.766 11.170 1.00 10.00 H new ATOM 0 HD2 TYR A 63 48.565 -11.844 7.020 1.00 10.00 H new ATOM 0 HE1 TYR A 63 50.950 -9.341 10.596 1.00 10.00 H new ATOM 0 HE2 TYR A 63 50.558 -10.474 6.448 1.00 10.00 H new ATOM 0 HH TYR A 63 52.146 -9.084 7.224 1.00 10.00 H new ATOM 957 N ASN A 64 45.424 -10.626 7.747 1.00 10.00 N ATOM 958 CA ASN A 64 45.193 -9.672 6.672 1.00 10.00 C ATOM 959 C ASN A 64 44.030 -8.728 7.017 1.00 10.00 C ATOM 960 O ASN A 64 44.118 -7.527 6.770 1.00 10.00 O ATOM 961 CB ASN A 64 44.941 -10.431 5.359 1.00 10.00 C ATOM 962 CG ASN A 64 44.792 -9.485 4.179 1.00 10.00 C ATOM 963 OD1 ASN A 64 43.696 -9.151 3.753 1.00 10.00 O ATOM 964 ND2 ASN A 64 45.885 -9.013 3.621 1.00 10.00 N ATOM 0 H ASN A 64 45.153 -11.580 7.510 1.00 10.00 H new ATOM 0 HA ASN A 64 46.079 -9.050 6.545 1.00 10.00 H new ATOM 0 HB2 ASN A 64 45.767 -11.118 5.172 1.00 10.00 H new ATOM 0 HB3 ASN A 64 44.039 -11.036 5.456 1.00 10.00 H new ATOM 0 HD21 ASN A 64 45.818 -8.369 2.833 1.00 10.00 H new ATOM 0 HD22 ASN A 64 46.800 -9.291 3.976 1.00 10.00 H new ATOM 1108 N VAL A 74 41.995 4.420 10.323 1.00 10.00 N ATOM 1109 CA VAL A 74 42.769 5.661 10.257 1.00 10.00 C ATOM 1110 C VAL A 74 42.464 6.418 8.955 1.00 10.00 C ATOM 1111 O VAL A 74 42.111 7.599 9.000 1.00 10.00 O ATOM 1112 CB VAL A 74 44.263 5.299 10.381 1.00 10.00 C ATOM 1113 CG1 VAL A 74 45.181 6.464 10.031 1.00 10.00 C ATOM 1114 CG2 VAL A 74 44.591 4.844 11.810 1.00 10.00 C ATOM 0 HA VAL A 74 42.496 6.329 11.074 1.00 10.00 H new ATOM 0 HB VAL A 74 44.438 4.493 9.669 1.00 10.00 H new ATOM 0 HG11 VAL A 74 46.220 6.152 10.136 1.00 10.00 H new ATOM 0 HG12 VAL A 74 44.997 6.776 9.003 1.00 10.00 H new ATOM 0 HG13 VAL A 74 44.983 7.298 10.704 1.00 10.00 H new ATOM 0 HG21 VAL A 74 45.649 4.593 11.878 1.00 10.00 H new ATOM 0 HG22 VAL A 74 44.363 5.649 12.509 1.00 10.00 H new ATOM 0 HG23 VAL A 74 43.993 3.967 12.059 1.00 10.00 H new ATOM 1124 N LYS A 75 42.537 5.744 7.797 1.00 10.00 N ATOM 1125 CA LYS A 75 42.304 6.327 6.457 1.00 10.00 C ATOM 1126 C LYS A 75 40.872 6.840 6.230 1.00 10.00 C ATOM 1127 O LYS A 75 40.669 7.734 5.407 1.00 10.00 O ATOM 1128 CB LYS A 75 42.680 5.296 5.379 1.00 10.00 C ATOM 1129 CG LYS A 75 44.202 5.096 5.289 1.00 10.00 C ATOM 1130 CD LYS A 75 44.562 4.026 4.250 1.00 10.00 C ATOM 1131 CE LYS A 75 46.087 3.889 4.150 1.00 10.00 C ATOM 1132 NZ LYS A 75 46.484 2.908 3.106 1.00 10.00 N ATOM 0 H LYS A 75 42.766 4.751 7.761 1.00 10.00 H new ATOM 0 HA LYS A 75 42.942 7.208 6.388 1.00 10.00 H new ATOM 0 HB2 LYS A 75 42.201 4.343 5.604 1.00 10.00 H new ATOM 0 HB3 LYS A 75 42.298 5.625 4.412 1.00 10.00 H new ATOM 0 HG2 LYS A 75 44.680 6.039 5.024 1.00 10.00 H new ATOM 0 HG3 LYS A 75 44.591 4.805 6.265 1.00 10.00 H new ATOM 0 HD2 LYS A 75 44.120 3.070 4.531 1.00 10.00 H new ATOM 0 HD3 LYS A 75 44.148 4.296 3.279 1.00 10.00 H new ATOM 0 HE2 LYS A 75 46.525 4.861 3.922 1.00 10.00 H new ATOM 0 HE3 LYS A 75 46.488 3.577 5.114 1.00 10.00 H new ATOM 0 HZ1 LYS A 75 47.521 2.842 3.068 1.00 10.00 H new ATOM 0 HZ2 LYS A 75 46.086 1.975 3.337 1.00 10.00 H new ATOM 0 HZ3 LYS A 75 46.122 3.219 2.182 1.00 10.00 H new ATOM 1146 N SER A 76 39.905 6.326 6.990 1.00 10.00 N ATOM 1147 CA SER A 76 38.468 6.637 6.889 1.00 10.00 C ATOM 1148 C SER A 76 37.899 7.268 8.168 1.00 10.00 C ATOM 1149 O SER A 76 36.683 7.391 8.297 1.00 10.00 O ATOM 1150 CB SER A 76 37.684 5.365 6.528 1.00 10.00 C ATOM 1151 OG SER A 76 38.137 4.832 5.290 1.00 10.00 O ATOM 0 H SER A 76 40.105 5.651 7.728 1.00 10.00 H new ATOM 0 HA SER A 76 38.356 7.380 6.100 1.00 10.00 H new ATOM 0 HB2 SER A 76 37.804 4.621 7.316 1.00 10.00 H new ATOM 0 HB3 SER A 76 36.620 5.593 6.464 1.00 10.00 H new ATOM 0 HG SER A 76 37.628 4.022 5.077 1.00 10.00 H new ATOM 1157 N MET A 77 38.741 7.695 9.119 1.00 10.00 N ATOM 1158 CA MET A 77 38.318 8.244 10.420 1.00 10.00 C ATOM 1159 C MET A 77 37.288 9.386 10.303 1.00 10.00 C ATOM 1160 O MET A 77 36.329 9.440 11.075 1.00 10.00 O ATOM 1161 CB MET A 77 39.565 8.702 11.194 1.00 10.00 C ATOM 1162 CG MET A 77 39.258 9.033 12.658 1.00 10.00 C ATOM 1163 SD MET A 77 40.725 9.496 13.619 1.00 10.00 S ATOM 1164 CE MET A 77 39.945 9.788 15.230 1.00 10.00 C ATOM 0 H MET A 77 39.754 7.669 9.006 1.00 10.00 H new ATOM 0 HA MET A 77 37.805 7.450 10.963 1.00 10.00 H new ATOM 0 HB2 MET A 77 40.322 7.919 11.153 1.00 10.00 H new ATOM 0 HB3 MET A 77 39.988 9.581 10.707 1.00 10.00 H new ATOM 0 HG2 MET A 77 38.537 9.850 12.694 1.00 10.00 H new ATOM 0 HG3 MET A 77 38.785 8.170 13.126 1.00 10.00 H new ATOM 0 HE1 MET A 77 40.704 10.085 15.953 1.00 10.00 H new ATOM 0 HE2 MET A 77 39.203 10.581 15.137 1.00 10.00 H new ATOM 0 HE3 MET A 77 39.458 8.874 15.570 1.00 10.00 H new ATOM 1174 N LYS A 78 37.441 10.261 9.299 1.00 10.00 N ATOM 1175 CA LYS A 78 36.513 11.367 8.990 1.00 10.00 C ATOM 1176 C LYS A 78 35.118 10.907 8.536 1.00 10.00 C ATOM 1177 O LYS A 78 34.153 11.654 8.690 1.00 10.00 O ATOM 1178 CB LYS A 78 37.145 12.288 7.929 1.00 10.00 C ATOM 1179 CG LYS A 78 38.392 13.015 8.459 1.00 10.00 C ATOM 1180 CD LYS A 78 38.996 13.935 7.389 1.00 10.00 C ATOM 1181 CE LYS A 78 40.232 14.647 7.953 1.00 10.00 C ATOM 1182 NZ LYS A 78 40.850 15.550 6.947 1.00 10.00 N ATOM 0 H LYS A 78 38.235 10.221 8.660 1.00 10.00 H new ATOM 0 HA LYS A 78 36.355 11.909 9.922 1.00 10.00 H new ATOM 0 HB2 LYS A 78 37.415 11.698 7.053 1.00 10.00 H new ATOM 0 HB3 LYS A 78 36.409 13.023 7.604 1.00 10.00 H new ATOM 0 HG2 LYS A 78 38.128 13.601 9.339 1.00 10.00 H new ATOM 0 HG3 LYS A 78 39.136 12.283 8.775 1.00 10.00 H new ATOM 0 HD2 LYS A 78 39.270 13.353 6.509 1.00 10.00 H new ATOM 0 HD3 LYS A 78 38.257 14.669 7.068 1.00 10.00 H new ATOM 0 HE2 LYS A 78 39.950 15.222 8.835 1.00 10.00 H new ATOM 0 HE3 LYS A 78 40.964 13.906 8.276 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 41.683 16.015 7.362 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 41.141 14.996 6.116 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 40.159 16.272 6.658 1.00 10.00 H new ATOM 1196 N ASP A 79 34.992 9.685 8.013 1.00 10.00 N ATOM 1197 CA ASP A 79 33.710 9.045 7.690 1.00 10.00 C ATOM 1198 C ASP A 79 33.139 8.285 8.901 1.00 10.00 C ATOM 1199 O ASP A 79 31.952 8.414 9.198 1.00 10.00 O ATOM 1200 CB ASP A 79 33.904 8.103 6.491 1.00 10.00 C ATOM 1201 CG ASP A 79 32.568 7.521 6.000 1.00 10.00 C ATOM 1202 OD1 ASP A 79 31.807 8.251 5.320 1.00 10.00 O ATOM 1203 OD2 ASP A 79 32.290 6.328 6.265 1.00 10.00 O ATOM 0 H ASP A 79 35.797 9.097 7.796 1.00 10.00 H new ATOM 0 HA ASP A 79 32.987 9.818 7.429 1.00 10.00 H new ATOM 0 HB2 ASP A 79 34.385 8.645 5.677 1.00 10.00 H new ATOM 0 HB3 ASP A 79 34.573 7.290 6.772 1.00 10.00 H new ATOM 1208 N ILE A 80 33.982 7.570 9.662 1.00 10.00 N ATOM 1209 CA ILE A 80 33.596 6.907 10.925 1.00 10.00 C ATOM 1210 C ILE A 80 32.986 7.901 11.931 1.00 10.00 C ATOM 1211 O ILE A 80 32.031 7.566 12.631 1.00 10.00 O ATOM 1212 CB ILE A 80 34.799 6.147 11.540 1.00 10.00 C ATOM 1213 CG1 ILE A 80 35.396 5.071 10.599 1.00 10.00 C ATOM 1214 CG2 ILE A 80 34.441 5.496 12.887 1.00 10.00 C ATOM 1215 CD1 ILE A 80 34.440 3.946 10.175 1.00 10.00 C ATOM 0 H ILE A 80 34.963 7.432 9.418 1.00 10.00 H new ATOM 0 HA ILE A 80 32.821 6.177 10.689 1.00 10.00 H new ATOM 0 HB ILE A 80 35.559 6.912 11.697 1.00 10.00 H new ATOM 0 HG12 ILE A 80 35.765 5.566 9.701 1.00 10.00 H new ATOM 0 HG13 ILE A 80 36.258 4.622 11.093 1.00 10.00 H new ATOM 0 HG21 ILE A 80 35.313 4.974 13.282 1.00 10.00 H new ATOM 0 HG22 ILE A 80 34.129 6.267 13.592 1.00 10.00 H new ATOM 0 HG23 ILE A 80 33.627 4.785 12.743 1.00 10.00 H new ATOM 0 HD11 ILE A 80 34.964 3.251 9.518 1.00 10.00 H new ATOM 0 HD12 ILE A 80 34.089 3.414 11.059 1.00 10.00 H new ATOM 0 HD13 ILE A 80 33.588 4.373 9.646 1.00 10.00 H new ATOM 1227 N ASP A 81 33.467 9.147 11.947 1.00 10.00 N ATOM 1228 CA ASP A 81 32.932 10.255 12.755 1.00 10.00 C ATOM 1229 C ASP A 81 31.443 10.599 12.484 1.00 10.00 C ATOM 1230 O ASP A 81 30.797 11.231 13.324 1.00 10.00 O ATOM 1231 CB ASP A 81 33.831 11.483 12.544 1.00 10.00 C ATOM 1232 CG ASP A 81 33.537 12.615 13.545 1.00 10.00 C ATOM 1233 OD1 ASP A 81 33.735 12.409 14.768 1.00 10.00 O ATOM 1234 OD2 ASP A 81 33.156 13.731 13.114 1.00 10.00 O ATOM 0 H ASP A 81 34.267 9.426 11.379 1.00 10.00 H new ATOM 0 HA ASP A 81 32.945 9.931 13.796 1.00 10.00 H new ATOM 0 HB2 ASP A 81 34.875 11.184 12.637 1.00 10.00 H new ATOM 0 HB3 ASP A 81 33.696 11.857 11.529 1.00 10.00 H new ATOM 1239 N SER A 82 30.879 10.141 11.357 1.00 10.00 N ATOM 1240 CA SER A 82 29.473 10.346 10.948 1.00 10.00 C ATOM 1241 C SER A 82 28.719 9.039 10.633 1.00 10.00 C ATOM 1242 O SER A 82 27.495 9.059 10.477 1.00 10.00 O ATOM 1243 CB SER A 82 29.411 11.266 9.720 1.00 10.00 C ATOM 1244 OG SER A 82 29.956 12.548 10.006 1.00 10.00 O ATOM 0 H SER A 82 31.407 9.596 10.675 1.00 10.00 H new ATOM 0 HA SER A 82 28.977 10.802 11.805 1.00 10.00 H new ATOM 0 HB2 SER A 82 29.959 10.812 8.895 1.00 10.00 H new ATOM 0 HB3 SER A 82 28.376 11.373 9.395 1.00 10.00 H new ATOM 0 HG SER A 82 29.905 13.111 9.206 1.00 10.00 H new ATOM 1250 N SER A 83 29.424 7.903 10.588 1.00 10.00 N ATOM 1251 CA SER A 83 28.926 6.578 10.171 1.00 10.00 C ATOM 1252 C SER A 83 29.469 5.467 11.087 1.00 10.00 C ATOM 1253 O SER A 83 29.916 4.413 10.631 1.00 10.00 O ATOM 1254 CB SER A 83 29.273 6.318 8.695 1.00 10.00 C ATOM 1255 OG SER A 83 28.642 7.270 7.847 1.00 10.00 O ATOM 0 H SER A 83 30.408 7.877 10.854 1.00 10.00 H new ATOM 0 HA SER A 83 27.840 6.570 10.268 1.00 10.00 H new ATOM 0 HB2 SER A 83 30.353 6.364 8.558 1.00 10.00 H new ATOM 0 HB3 SER A 83 28.959 5.312 8.416 1.00 10.00 H new ATOM 0 HG SER A 83 28.879 7.085 6.914 1.00 10.00 H new