USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=12 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= -1.98 (180deg=-3.64!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= 1.08 (180deg=0.951) USER MOD Single : A 35 GLN : amide:sc= -0.0396 X(o=-0.04,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 42 ASN : amide:sc= 0.997 K(o=1,f=0) USER MOD Single : A 44 THR OG1 : rot 60:sc= 1.24 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.67 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= -0.416 X(o=-0.42,f=-0.3) USER MOD Single : A 57 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.18) USER MOD Single : A 58 MET CE :methyl -174:sc= -0.0134 (180deg=-0.0638) USER MOD Single : A 61 SER OG : rot 74:sc= 0.804 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 49.804 -12.284 16.623 1.00 10.00 N ATOM 462 CA LEU A 32 49.081 -12.810 15.451 1.00 10.00 C ATOM 463 C LEU A 32 50.064 -13.202 14.336 1.00 10.00 C ATOM 464 O LEU A 32 49.954 -14.259 13.717 1.00 10.00 O ATOM 465 CB LEU A 32 48.111 -11.711 14.965 1.00 10.00 C ATOM 466 CG LEU A 32 46.836 -12.183 14.236 1.00 10.00 C ATOM 467 CD1 LEU A 32 46.101 -10.959 13.687 1.00 10.00 C ATOM 468 CD2 LEU A 32 47.085 -13.135 13.067 1.00 10.00 C ATOM 0 HA LEU A 32 48.527 -13.709 15.722 1.00 10.00 H new ATOM 0 HB2 LEU A 32 47.809 -11.118 15.828 1.00 10.00 H new ATOM 0 HB3 LEU A 32 48.658 -11.046 14.297 1.00 10.00 H new ATOM 0 HG LEU A 32 46.257 -12.733 14.978 1.00 10.00 H new ATOM 0 HD11 LEU A 32 45.197 -11.279 13.169 1.00 10.00 H new ATOM 0 HD12 LEU A 32 45.832 -10.297 14.510 1.00 10.00 H new ATOM 0 HD13 LEU A 32 46.749 -10.427 12.990 1.00 10.00 H new ATOM 0 HD21 LEU A 32 46.133 -13.414 12.615 1.00 10.00 H new ATOM 0 HD22 LEU A 32 47.709 -12.641 12.322 1.00 10.00 H new ATOM 0 HD23 LEU A 32 47.591 -14.030 13.428 1.00 10.00 H new ATOM 480 N ASN A 33 51.085 -12.374 14.124 1.00 10.00 N ATOM 481 CA ASN A 33 52.157 -12.655 13.167 1.00 10.00 C ATOM 482 C ASN A 33 52.953 -13.921 13.551 1.00 10.00 C ATOM 483 O ASN A 33 53.335 -14.691 12.671 1.00 10.00 O ATOM 484 CB ASN A 33 53.026 -11.393 13.023 1.00 10.00 C ATOM 485 CG ASN A 33 54.261 -11.617 12.171 1.00 10.00 C ATOM 486 OD1 ASN A 33 55.349 -11.823 12.687 1.00 10.00 O ATOM 487 ND2 ASN A 33 54.139 -11.598 10.864 1.00 10.00 N ATOM 0 H ASN A 33 51.194 -11.485 14.612 1.00 10.00 H new ATOM 0 HA ASN A 33 51.736 -12.887 12.189 1.00 10.00 H new ATOM 0 HB2 ASN A 33 52.428 -10.595 12.583 1.00 10.00 H new ATOM 0 HB3 ASN A 33 53.331 -11.054 14.013 1.00 10.00 H new ATOM 0 HD21 ASN A 33 54.955 -11.756 10.273 1.00 10.00 H new ATOM 0 HD22 ASN A 33 53.228 -11.425 10.439 1.00 10.00 H new ATOM 494 N LYS A 34 53.125 -14.199 14.851 1.00 10.00 N ATOM 495 CA LYS A 34 53.672 -15.463 15.373 1.00 10.00 C ATOM 496 C LYS A 34 52.789 -16.638 14.979 1.00 10.00 C ATOM 497 O LYS A 34 53.302 -17.605 14.434 1.00 10.00 O ATOM 498 CB LYS A 34 53.883 -15.381 16.901 1.00 10.00 C ATOM 499 CG LYS A 34 54.741 -16.523 17.488 1.00 10.00 C ATOM 500 CD LYS A 34 53.997 -17.842 17.779 1.00 10.00 C ATOM 501 CE LYS A 34 54.965 -18.878 18.369 1.00 10.00 C ATOM 502 NZ LYS A 34 54.320 -20.205 18.561 1.00 10.00 N ATOM 0 H LYS A 34 52.882 -13.537 15.588 1.00 10.00 H new ATOM 0 HA LYS A 34 54.650 -15.630 14.922 1.00 10.00 H new ATOM 0 HB2 LYS A 34 54.355 -14.428 17.140 1.00 10.00 H new ATOM 0 HB3 LYS A 34 52.909 -15.386 17.391 1.00 10.00 H new ATOM 0 HG2 LYS A 34 55.555 -16.733 16.795 1.00 10.00 H new ATOM 0 HG3 LYS A 34 55.194 -16.172 18.415 1.00 10.00 H new ATOM 0 HD2 LYS A 34 53.179 -17.660 18.476 1.00 10.00 H new ATOM 0 HD3 LYS A 34 53.554 -18.229 16.861 1.00 10.00 H new ATOM 0 HE2 LYS A 34 55.825 -18.986 17.708 1.00 10.00 H new ATOM 0 HE3 LYS A 34 55.341 -18.517 19.326 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 54.920 -20.798 19.169 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 53.391 -20.078 19.010 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 54.198 -20.668 17.638 1.00 10.00 H new ATOM 516 N GLN A 35 51.475 -16.541 15.182 1.00 10.00 N ATOM 517 CA GLN A 35 50.515 -17.591 14.794 1.00 10.00 C ATOM 518 C GLN A 35 50.591 -17.901 13.294 1.00 10.00 C ATOM 519 O GLN A 35 50.533 -19.060 12.889 1.00 10.00 O ATOM 520 CB GLN A 35 49.079 -17.188 15.174 1.00 10.00 C ATOM 521 CG GLN A 35 48.861 -17.128 16.690 1.00 10.00 C ATOM 522 CD GLN A 35 47.561 -16.420 17.058 1.00 10.00 C ATOM 523 OE1 GLN A 35 46.461 -16.891 16.799 1.00 10.00 O ATOM 524 NE2 GLN A 35 47.640 -15.268 17.683 1.00 10.00 N ATOM 0 H GLN A 35 51.038 -15.731 15.622 1.00 10.00 H new ATOM 0 HA GLN A 35 50.787 -18.494 15.341 1.00 10.00 H new ATOM 0 HB2 GLN A 35 48.853 -16.214 14.740 1.00 10.00 H new ATOM 0 HB3 GLN A 35 48.379 -17.901 14.739 1.00 10.00 H new ATOM 0 HG2 GLN A 35 48.848 -18.140 17.094 1.00 10.00 H new ATOM 0 HG3 GLN A 35 49.699 -16.610 17.156 1.00 10.00 H new ATOM 0 HE21 GLN A 35 48.552 -14.868 17.903 1.00 10.00 H new ATOM 0 HE22 GLN A 35 46.789 -14.773 17.949 1.00 10.00 H new ATOM 533 N LEU A 36 50.779 -16.873 12.468 1.00 10.00 N ATOM 534 CA LEU A 36 50.915 -17.024 11.020 1.00 10.00 C ATOM 535 C LEU A 36 52.267 -17.610 10.595 1.00 10.00 C ATOM 536 O LEU A 36 52.302 -18.469 9.718 1.00 10.00 O ATOM 537 CB LEU A 36 50.618 -15.685 10.362 1.00 10.00 C ATOM 538 CG LEU A 36 50.454 -15.821 8.842 1.00 10.00 C ATOM 539 CD1 LEU A 36 49.374 -16.790 8.358 1.00 10.00 C ATOM 540 CD2 LEU A 36 50.035 -14.449 8.353 1.00 10.00 C ATOM 0 H LEU A 36 50.842 -15.906 12.786 1.00 10.00 H new ATOM 0 HA LEU A 36 50.188 -17.760 10.676 1.00 10.00 H new ATOM 0 HB2 LEU A 36 49.708 -15.264 10.790 1.00 10.00 H new ATOM 0 HB3 LEU A 36 51.426 -14.986 10.579 1.00 10.00 H new ATOM 0 HG LEU A 36 51.399 -16.210 8.463 1.00 10.00 H new ATOM 0 HD11 LEU A 36 49.355 -16.799 7.268 1.00 10.00 H new ATOM 0 HD12 LEU A 36 49.594 -17.793 8.725 1.00 10.00 H new ATOM 0 HD13 LEU A 36 48.403 -16.470 8.735 1.00 10.00 H new ATOM 0 HD21 LEU A 36 49.900 -14.474 7.272 1.00 10.00 H new ATOM 0 HD22 LEU A 36 49.097 -14.164 8.830 1.00 10.00 H new ATOM 0 HD23 LEU A 36 50.806 -13.721 8.606 1.00 10.00 H new ATOM 552 N GLN A 37 53.367 -17.222 11.243 1.00 10.00 N ATOM 553 CA GLN A 37 54.673 -17.869 11.059 1.00 10.00 C ATOM 554 C GLN A 37 54.675 -19.323 11.563 1.00 10.00 C ATOM 555 O GLN A 37 55.326 -20.180 10.973 1.00 10.00 O ATOM 556 CB GLN A 37 55.765 -17.057 11.779 1.00 10.00 C ATOM 557 CG GLN A 37 56.074 -15.725 11.076 1.00 10.00 C ATOM 558 CD GLN A 37 57.069 -14.857 11.851 1.00 10.00 C ATOM 559 OE1 GLN A 37 57.080 -14.787 13.076 1.00 10.00 O ATOM 560 NE2 GLN A 37 57.953 -14.154 11.175 1.00 10.00 N ATOM 0 H GLN A 37 53.380 -16.451 11.911 1.00 10.00 H new ATOM 0 HA GLN A 37 54.880 -17.896 9.989 1.00 10.00 H new ATOM 0 HB2 GLN A 37 55.448 -16.858 12.803 1.00 10.00 H new ATOM 0 HB3 GLN A 37 56.676 -17.652 11.837 1.00 10.00 H new ATOM 0 HG2 GLN A 37 56.475 -15.929 10.083 1.00 10.00 H new ATOM 0 HG3 GLN A 37 55.146 -15.170 10.938 1.00 10.00 H new ATOM 0 HE21 GLN A 37 57.965 -14.194 10.156 1.00 10.00 H new ATOM 0 HE22 GLN A 37 58.626 -13.569 11.670 1.00 10.00 H new ATOM 569 N ASP A 38 53.902 -19.630 12.606 1.00 10.00 N ATOM 570 CA ASP A 38 53.647 -20.991 13.091 1.00 10.00 C ATOM 571 C ASP A 38 52.866 -21.806 12.048 1.00 10.00 C ATOM 572 O ASP A 38 53.237 -22.936 11.724 1.00 10.00 O ATOM 573 CB ASP A 38 52.909 -20.922 14.440 1.00 10.00 C ATOM 574 CG ASP A 38 53.156 -22.144 15.334 1.00 10.00 C ATOM 575 OD1 ASP A 38 52.751 -23.269 14.963 1.00 10.00 O ATOM 576 OD2 ASP A 38 53.736 -21.952 16.432 1.00 10.00 O ATOM 0 H ASP A 38 53.420 -18.918 13.155 1.00 10.00 H new ATOM 0 HA ASP A 38 54.595 -21.506 13.246 1.00 10.00 H new ATOM 0 HB2 ASP A 38 53.222 -20.023 14.971 1.00 10.00 H new ATOM 0 HB3 ASP A 38 51.839 -20.827 14.256 1.00 10.00 H new ATOM 581 N ALA A 39 51.855 -21.194 11.416 1.00 10.00 N ATOM 582 CA ALA A 39 51.168 -21.781 10.266 1.00 10.00 C ATOM 583 C ALA A 39 52.144 -22.061 9.126 1.00 10.00 C ATOM 584 O ALA A 39 52.168 -23.164 8.588 1.00 10.00 O ATOM 585 CB ALA A 39 50.011 -20.894 9.767 1.00 10.00 C ATOM 0 H ALA A 39 51.494 -20.280 11.690 1.00 10.00 H new ATOM 0 HA ALA A 39 50.742 -22.725 10.604 1.00 10.00 H new ATOM 0 HB1 ALA A 39 49.530 -21.370 8.912 1.00 10.00 H new ATOM 0 HB2 ALA A 39 49.282 -20.763 10.567 1.00 10.00 H new ATOM 0 HB3 ALA A 39 50.401 -19.921 9.468 1.00 10.00 H new ATOM 591 N GLN A 40 52.990 -21.082 8.814 1.00 10.00 N ATOM 592 CA GLN A 40 53.999 -21.147 7.762 1.00 10.00 C ATOM 593 C GLN A 40 55.099 -22.169 8.064 1.00 10.00 C ATOM 594 O GLN A 40 55.720 -22.655 7.131 1.00 10.00 O ATOM 595 CB GLN A 40 54.598 -19.742 7.557 1.00 10.00 C ATOM 596 CG GLN A 40 55.281 -19.586 6.189 1.00 10.00 C ATOM 597 CD GLN A 40 55.766 -18.156 5.964 1.00 10.00 C ATOM 598 OE1 GLN A 40 55.134 -17.352 5.290 1.00 10.00 O ATOM 599 NE2 GLN A 40 56.898 -17.776 6.520 1.00 10.00 N ATOM 0 H GLN A 40 52.991 -20.189 9.306 1.00 10.00 H new ATOM 0 HA GLN A 40 53.514 -21.484 6.846 1.00 10.00 H new ATOM 0 HB2 GLN A 40 53.808 -18.997 7.652 1.00 10.00 H new ATOM 0 HB3 GLN A 40 55.323 -19.541 8.346 1.00 10.00 H new ATOM 0 HG2 GLN A 40 56.125 -20.272 6.123 1.00 10.00 H new ATOM 0 HG3 GLN A 40 54.583 -19.863 5.399 1.00 10.00 H new ATOM 0 HE21 GLN A 40 57.435 -18.434 7.084 1.00 10.00 H new ATOM 0 HE22 GLN A 40 57.237 -16.823 6.387 1.00 10.00 H new ATOM 608 N ALA A 41 55.363 -22.514 9.328 1.00 10.00 N ATOM 609 CA ALA A 41 56.235 -23.630 9.719 1.00 10.00 C ATOM 610 C ALA A 41 55.565 -25.006 9.653 1.00 10.00 C ATOM 611 O ALA A 41 56.209 -25.955 9.204 1.00 10.00 O ATOM 612 CB ALA A 41 56.863 -23.349 11.077 1.00 10.00 C ATOM 0 H ALA A 41 54.969 -22.016 10.126 1.00 10.00 H new ATOM 0 HA ALA A 41 57.027 -23.689 8.972 1.00 10.00 H new ATOM 0 HB1 ALA A 41 57.508 -24.181 11.359 1.00 10.00 H new ATOM 0 HB2 ALA A 41 57.454 -22.435 11.022 1.00 10.00 H new ATOM 0 HB3 ALA A 41 56.078 -23.229 11.823 1.00 10.00 H new ATOM 618 N ASN A 42 54.283 -25.137 10.010 1.00 10.00 N ATOM 619 CA ASN A 42 53.550 -26.379 9.733 1.00 10.00 C ATOM 620 C ASN A 42 53.481 -26.576 8.208 1.00 10.00 C ATOM 621 O ASN A 42 53.621 -27.693 7.706 1.00 10.00 O ATOM 622 CB ASN A 42 52.152 -26.377 10.384 1.00 10.00 C ATOM 623 CG ASN A 42 52.191 -26.533 11.896 1.00 10.00 C ATOM 624 OD1 ASN A 42 52.061 -27.625 12.431 1.00 10.00 O ATOM 625 ND2 ASN A 42 52.369 -25.467 12.639 1.00 10.00 N ATOM 0 H ASN A 42 53.739 -24.415 10.482 1.00 10.00 H new ATOM 0 HA ASN A 42 54.080 -27.221 10.178 1.00 10.00 H new ATOM 0 HB2 ASN A 42 51.645 -25.445 10.135 1.00 10.00 H new ATOM 0 HB3 ASN A 42 51.559 -27.186 9.958 1.00 10.00 H new ATOM 0 HD21 ASN A 42 52.398 -25.553 13.655 1.00 10.00 H new ATOM 0 HD22 ASN A 42 52.478 -24.552 12.201 1.00 10.00 H new ATOM 632 N LEU A 43 53.369 -25.465 7.471 1.00 10.00 N ATOM 633 CA LEU A 43 53.509 -25.416 6.034 1.00 10.00 C ATOM 634 C LEU A 43 54.948 -25.649 5.588 1.00 10.00 C ATOM 635 O LEU A 43 55.166 -26.319 4.605 1.00 10.00 O ATOM 636 CB LEU A 43 52.952 -24.073 5.518 1.00 10.00 C ATOM 637 CG LEU A 43 52.390 -24.211 4.114 1.00 10.00 C ATOM 638 CD1 LEU A 43 51.123 -25.037 4.209 1.00 10.00 C ATOM 639 CD2 LEU A 43 51.990 -22.888 3.481 1.00 10.00 C ATOM 0 H LEU A 43 53.172 -24.553 7.883 1.00 10.00 H new ATOM 0 HA LEU A 43 52.931 -26.230 5.596 1.00 10.00 H new ATOM 0 HB2 LEU A 43 52.172 -23.718 6.191 1.00 10.00 H new ATOM 0 HB3 LEU A 43 53.743 -23.323 5.523 1.00 10.00 H new ATOM 0 HG LEU A 43 53.173 -24.658 3.501 1.00 10.00 H new ATOM 0 HD11 LEU A 43 50.691 -25.156 3.215 1.00 10.00 H new ATOM 0 HD12 LEU A 43 51.358 -26.018 4.623 1.00 10.00 H new ATOM 0 HD13 LEU A 43 50.407 -24.532 4.857 1.00 10.00 H new ATOM 0 HD21 LEU A 43 51.598 -23.067 2.480 1.00 10.00 H new ATOM 0 HD22 LEU A 43 51.223 -22.410 4.091 1.00 10.00 H new ATOM 0 HD23 LEU A 43 52.862 -22.237 3.418 1.00 10.00 H new ATOM 651 N THR A 44 55.965 -25.200 6.308 1.00 10.00 N ATOM 652 CA THR A 44 57.357 -25.449 5.906 1.00 10.00 C ATOM 653 C THR A 44 57.678 -26.943 5.945 1.00 10.00 C ATOM 654 O THR A 44 58.374 -27.465 5.071 1.00 10.00 O ATOM 655 CB THR A 44 58.360 -24.685 6.773 1.00 10.00 C ATOM 656 OG1 THR A 44 58.298 -23.303 6.501 1.00 10.00 O ATOM 657 CG2 THR A 44 59.781 -25.141 6.489 1.00 10.00 C ATOM 0 H THR A 44 55.863 -24.664 7.170 1.00 10.00 H new ATOM 0 HA THR A 44 57.453 -25.084 4.883 1.00 10.00 H new ATOM 0 HB THR A 44 58.101 -24.884 7.813 1.00 10.00 H new ATOM 0 HG1 THR A 44 57.397 -22.971 6.697 1.00 10.00 H new ATOM 0 HG21 THR A 44 60.475 -24.583 7.118 1.00 10.00 H new ATOM 0 HG22 THR A 44 59.872 -26.206 6.705 1.00 10.00 H new ATOM 0 HG23 THR A 44 60.018 -24.962 5.440 1.00 10.00 H new ATOM 665 N LYS A 45 57.144 -27.643 6.950 1.00 10.00 N ATOM 666 CA LYS A 45 57.258 -29.101 7.073 1.00 10.00 C ATOM 667 C LYS A 45 56.605 -29.857 5.907 1.00 10.00 C ATOM 668 O LYS A 45 57.105 -30.913 5.519 1.00 10.00 O ATOM 669 CB LYS A 45 56.701 -29.536 8.432 1.00 10.00 C ATOM 670 CG LYS A 45 57.590 -29.097 9.610 1.00 10.00 C ATOM 671 CD LYS A 45 57.082 -29.588 10.974 1.00 10.00 C ATOM 672 CE LYS A 45 57.206 -31.112 11.120 1.00 10.00 C ATOM 673 NZ LYS A 45 56.818 -31.568 12.481 1.00 10.00 N ATOM 0 H LYS A 45 56.616 -27.211 7.708 1.00 10.00 H new ATOM 0 HA LYS A 45 58.314 -29.366 7.019 1.00 10.00 H new ATOM 0 HB2 LYS A 45 55.703 -29.118 8.561 1.00 10.00 H new ATOM 0 HB3 LYS A 45 56.597 -30.621 8.446 1.00 10.00 H new ATOM 0 HG2 LYS A 45 58.601 -29.471 9.451 1.00 10.00 H new ATOM 0 HG3 LYS A 45 57.651 -28.009 9.624 1.00 10.00 H new ATOM 0 HD2 LYS A 45 57.647 -29.101 11.768 1.00 10.00 H new ATOM 0 HD3 LYS A 45 56.039 -29.295 11.099 1.00 10.00 H new ATOM 0 HE2 LYS A 45 56.574 -31.601 10.379 1.00 10.00 H new ATOM 0 HE3 LYS A 45 58.233 -31.415 10.914 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 56.915 -32.602 12.541 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 57.437 -31.121 13.187 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 55.830 -31.301 12.668 1.00 10.00 H new ATOM 687 N ASN A 46 55.545 -29.304 5.311 1.00 10.00 N ATOM 688 CA ASN A 46 54.932 -29.770 4.076 1.00 10.00 C ATOM 689 C ASN A 46 54.244 -28.625 3.293 1.00 10.00 C ATOM 690 O ASN A 46 53.075 -28.326 3.562 1.00 10.00 O ATOM 691 CB ASN A 46 54.018 -30.938 4.428 1.00 10.00 C ATOM 692 CG ASN A 46 53.533 -31.690 3.190 1.00 10.00 C ATOM 693 OD1 ASN A 46 53.503 -31.187 2.075 1.00 10.00 O ATOM 694 ND2 ASN A 46 53.185 -32.950 3.335 1.00 10.00 N ATOM 0 H ASN A 46 55.075 -28.485 5.697 1.00 10.00 H new ATOM 0 HA ASN A 46 55.689 -30.127 3.378 1.00 10.00 H new ATOM 0 HB2 ASN A 46 54.550 -31.627 5.084 1.00 10.00 H new ATOM 0 HB3 ASN A 46 53.158 -30.568 4.985 1.00 10.00 H new ATOM 0 HD21 ASN A 46 52.895 -33.496 2.524 1.00 10.00 H new ATOM 0 HD22 ASN A 46 53.206 -33.382 4.259 1.00 10.00 H new ATOM 701 N PRO A 47 54.969 -27.943 2.373 1.00 10.00 N ATOM 702 CA PRO A 47 54.531 -26.706 1.712 1.00 10.00 C ATOM 703 C PRO A 47 53.135 -26.667 1.095 1.00 10.00 C ATOM 704 O PRO A 47 52.565 -25.580 0.993 1.00 10.00 O ATOM 705 CB PRO A 47 55.611 -26.390 0.698 1.00 10.00 C ATOM 706 CG PRO A 47 56.882 -26.854 1.401 1.00 10.00 C ATOM 707 CD PRO A 47 56.420 -28.057 2.223 1.00 10.00 C ATOM 0 HA PRO A 47 54.411 -25.950 2.488 1.00 10.00 H new ATOM 0 HB2 PRO A 47 55.452 -26.920 -0.241 1.00 10.00 H new ATOM 0 HB3 PRO A 47 55.645 -25.326 0.462 1.00 10.00 H new ATOM 0 HG2 PRO A 47 57.657 -27.131 0.686 1.00 10.00 H new ATOM 0 HG3 PRO A 47 57.298 -26.071 2.035 1.00 10.00 H new ATOM 0 HD2 PRO A 47 56.684 -28.989 1.723 1.00 10.00 H new ATOM 0 HD3 PRO A 47 56.908 -28.068 3.197 1.00 10.00 H new ATOM 715 N SER A 48 52.554 -27.810 0.723 1.00 10.00 N ATOM 716 CA SER A 48 51.172 -27.907 0.299 1.00 10.00 C ATOM 717 C SER A 48 50.339 -28.994 0.975 1.00 10.00 C ATOM 718 O SER A 48 49.389 -29.524 0.391 1.00 10.00 O ATOM 719 CB SER A 48 51.154 -27.907 -1.217 1.00 10.00 C ATOM 720 OG SER A 48 51.671 -29.109 -1.773 1.00 10.00 O ATOM 0 H SER A 48 53.046 -28.703 0.711 1.00 10.00 H new ATOM 0 HA SER A 48 50.633 -27.031 0.659 1.00 10.00 H new ATOM 0 HB2 SER A 48 50.131 -27.762 -1.564 1.00 10.00 H new ATOM 0 HB3 SER A 48 51.737 -27.062 -1.583 1.00 10.00 H new ATOM 0 HG SER A 48 51.636 -29.059 -2.751 1.00 10.00 H new ATOM 726 N ASP A 49 50.688 -29.324 2.221 1.00 10.00 N ATOM 727 CA ASP A 49 49.841 -30.147 3.091 1.00 10.00 C ATOM 728 C ASP A 49 48.534 -29.357 3.265 1.00 10.00 C ATOM 729 O ASP A 49 48.573 -28.185 3.639 1.00 10.00 O ATOM 730 CB ASP A 49 50.549 -30.455 4.417 1.00 10.00 C ATOM 731 CG ASP A 49 49.634 -31.036 5.517 1.00 10.00 C ATOM 732 OD1 ASP A 49 48.627 -30.395 5.897 1.00 10.00 O ATOM 733 OD2 ASP A 49 49.922 -32.157 5.999 1.00 10.00 O ATOM 0 H ASP A 49 51.563 -29.030 2.655 1.00 10.00 H new ATOM 0 HA ASP A 49 49.630 -31.126 2.661 1.00 10.00 H new ATOM 0 HB2 ASP A 49 51.358 -31.160 4.226 1.00 10.00 H new ATOM 0 HB3 ASP A 49 51.007 -29.539 4.790 1.00 10.00 H new ATOM 738 N PRO A 50 47.371 -29.945 2.968 1.00 10.00 N ATOM 739 CA PRO A 50 46.137 -29.188 2.881 1.00 10.00 C ATOM 740 C PRO A 50 45.583 -28.680 4.205 1.00 10.00 C ATOM 741 O PRO A 50 44.885 -27.676 4.191 1.00 10.00 O ATOM 742 CB PRO A 50 45.154 -30.118 2.200 1.00 10.00 C ATOM 743 CG PRO A 50 45.659 -31.523 2.532 1.00 10.00 C ATOM 744 CD PRO A 50 47.169 -31.341 2.646 1.00 10.00 C ATOM 0 HA PRO A 50 46.323 -28.266 2.329 1.00 10.00 H new ATOM 0 HB2 PRO A 50 44.140 -29.963 2.570 1.00 10.00 H new ATOM 0 HB3 PRO A 50 45.130 -29.950 1.123 1.00 10.00 H new ATOM 0 HG2 PRO A 50 45.228 -31.895 3.462 1.00 10.00 H new ATOM 0 HG3 PRO A 50 45.399 -32.238 1.751 1.00 10.00 H new ATOM 0 HD2 PRO A 50 47.584 -31.986 3.421 1.00 10.00 H new ATOM 0 HD3 PRO A 50 47.667 -31.604 1.713 1.00 10.00 H new ATOM 752 N THR A 51 45.891 -29.305 5.341 1.00 10.00 N ATOM 753 CA THR A 51 45.548 -28.764 6.668 1.00 10.00 C ATOM 754 C THR A 51 46.524 -27.674 7.072 1.00 10.00 C ATOM 755 O THR A 51 46.087 -26.648 7.573 1.00 10.00 O ATOM 756 CB THR A 51 45.568 -29.884 7.701 1.00 10.00 C ATOM 757 OG1 THR A 51 44.409 -30.685 7.569 1.00 10.00 O ATOM 758 CG2 THR A 51 45.651 -29.402 9.147 1.00 10.00 C ATOM 0 H THR A 51 46.383 -30.198 5.374 1.00 10.00 H new ATOM 0 HA THR A 51 44.548 -28.332 6.619 1.00 10.00 H new ATOM 0 HB THR A 51 46.476 -30.450 7.495 1.00 10.00 H new ATOM 0 HG1 THR A 51 44.430 -31.403 8.235 1.00 10.00 H new ATOM 0 HG21 THR A 51 45.660 -30.262 9.817 1.00 10.00 H new ATOM 0 HG22 THR A 51 46.564 -28.824 9.286 1.00 10.00 H new ATOM 0 HG23 THR A 51 44.788 -28.776 9.372 1.00 10.00 H new ATOM 766 N ALA A 52 47.820 -27.834 6.817 1.00 10.00 N ATOM 767 CA ALA A 52 48.803 -26.768 6.970 1.00 10.00 C ATOM 768 C ALA A 52 48.441 -25.540 6.141 1.00 10.00 C ATOM 769 O ALA A 52 48.527 -24.413 6.626 1.00 10.00 O ATOM 770 CB ALA A 52 50.164 -27.359 6.574 1.00 10.00 C ATOM 0 H ALA A 52 48.220 -28.716 6.496 1.00 10.00 H new ATOM 0 HA ALA A 52 48.832 -26.415 8.001 1.00 10.00 H new ATOM 0 HB1 ALA A 52 50.935 -26.595 6.673 1.00 10.00 H new ATOM 0 HB2 ALA A 52 50.400 -28.199 7.227 1.00 10.00 H new ATOM 0 HB3 ALA A 52 50.124 -27.703 5.540 1.00 10.00 H new ATOM 776 N LEU A 53 47.992 -25.758 4.911 1.00 10.00 N ATOM 777 CA LEU A 53 47.655 -24.703 3.973 1.00 10.00 C ATOM 778 C LEU A 53 46.273 -24.121 4.277 1.00 10.00 C ATOM 779 O LEU A 53 46.100 -22.910 4.206 1.00 10.00 O ATOM 780 CB LEU A 53 47.827 -25.299 2.570 1.00 10.00 C ATOM 781 CG LEU A 53 48.005 -24.341 1.381 1.00 10.00 C ATOM 782 CD1 LEU A 53 48.541 -22.967 1.747 1.00 10.00 C ATOM 783 CD2 LEU A 53 49.038 -24.975 0.454 1.00 10.00 C ATOM 0 H LEU A 53 47.850 -26.695 4.533 1.00 10.00 H new ATOM 0 HA LEU A 53 48.313 -23.838 4.055 1.00 10.00 H new ATOM 0 HB2 LEU A 53 48.693 -25.960 2.595 1.00 10.00 H new ATOM 0 HB3 LEU A 53 46.956 -25.922 2.366 1.00 10.00 H new ATOM 0 HG LEU A 53 47.018 -24.196 0.942 1.00 10.00 H new ATOM 0 HD11 LEU A 53 48.634 -22.361 0.846 1.00 10.00 H new ATOM 0 HD12 LEU A 53 47.855 -22.482 2.442 1.00 10.00 H new ATOM 0 HD13 LEU A 53 49.519 -23.071 2.216 1.00 10.00 H new ATOM 0 HD21 LEU A 53 49.198 -24.328 -0.409 1.00 10.00 H new ATOM 0 HD22 LEU A 53 49.978 -25.104 0.991 1.00 10.00 H new ATOM 0 HD23 LEU A 53 48.677 -25.947 0.117 1.00 10.00 H new ATOM 795 N ALA A 54 45.320 -24.942 4.726 1.00 10.00 N ATOM 796 CA ALA A 54 44.042 -24.485 5.266 1.00 10.00 C ATOM 797 C ALA A 54 44.253 -23.623 6.518 1.00 10.00 C ATOM 798 O ALA A 54 43.630 -22.575 6.673 1.00 10.00 O ATOM 799 CB ALA A 54 43.181 -25.710 5.616 1.00 10.00 C ATOM 0 H ALA A 54 45.418 -25.957 4.723 1.00 10.00 H new ATOM 0 HA ALA A 54 43.538 -23.875 4.516 1.00 10.00 H new ATOM 0 HB1 ALA A 54 42.224 -25.379 6.020 1.00 10.00 H new ATOM 0 HB2 ALA A 54 43.010 -26.303 4.718 1.00 10.00 H new ATOM 0 HB3 ALA A 54 43.698 -26.318 6.359 1.00 10.00 H new ATOM 805 N ASN A 55 45.168 -24.047 7.390 1.00 10.00 N ATOM 806 CA ASN A 55 45.532 -23.369 8.626 1.00 10.00 C ATOM 807 C ASN A 55 46.185 -22.018 8.336 1.00 10.00 C ATOM 808 O ASN A 55 45.720 -20.984 8.805 1.00 10.00 O ATOM 809 CB ASN A 55 46.477 -24.300 9.399 1.00 10.00 C ATOM 810 CG ASN A 55 47.093 -23.702 10.636 1.00 10.00 C ATOM 811 OD1 ASN A 55 46.423 -23.337 11.589 1.00 10.00 O ATOM 812 ND2 ASN A 55 48.401 -23.627 10.646 1.00 10.00 N ATOM 0 H ASN A 55 45.695 -24.908 7.245 1.00 10.00 H new ATOM 0 HA ASN A 55 44.646 -23.159 9.224 1.00 10.00 H new ATOM 0 HB2 ASN A 55 45.926 -25.196 9.683 1.00 10.00 H new ATOM 0 HB3 ASN A 55 47.277 -24.616 8.730 1.00 10.00 H new ATOM 0 HD21 ASN A 55 48.884 -23.256 11.464 1.00 10.00 H new ATOM 0 HD22 ASN A 55 48.936 -23.939 9.836 1.00 10.00 H new ATOM 819 N TYR A 56 47.224 -22.028 7.499 1.00 10.00 N ATOM 820 CA TYR A 56 47.848 -20.811 6.969 1.00 10.00 C ATOM 821 C TYR A 56 46.845 -19.889 6.285 1.00 10.00 C ATOM 822 O TYR A 56 46.811 -18.720 6.633 1.00 10.00 O ATOM 823 CB TYR A 56 49.036 -21.216 6.085 1.00 10.00 C ATOM 824 CG TYR A 56 49.757 -20.173 5.254 1.00 10.00 C ATOM 825 CD1 TYR A 56 50.897 -19.531 5.776 1.00 10.00 C ATOM 826 CD2 TYR A 56 49.423 -20.019 3.894 1.00 10.00 C ATOM 827 CE1 TYR A 56 51.731 -18.776 4.930 1.00 10.00 C ATOM 828 CE2 TYR A 56 50.256 -19.265 3.045 1.00 10.00 C ATOM 829 CZ TYR A 56 51.428 -18.664 3.555 1.00 10.00 C ATOM 830 OH TYR A 56 52.253 -17.974 2.722 1.00 10.00 O ATOM 0 H TYR A 56 47.661 -22.888 7.166 1.00 10.00 H new ATOM 0 HA TYR A 56 48.231 -20.206 7.790 1.00 10.00 H new ATOM 0 HB2 TYR A 56 49.778 -21.682 6.734 1.00 10.00 H new ATOM 0 HB3 TYR A 56 48.682 -21.987 5.400 1.00 10.00 H new ATOM 0 HD1 TYR A 56 51.131 -19.618 6.827 1.00 10.00 H new ATOM 0 HD2 TYR A 56 48.528 -20.479 3.502 1.00 10.00 H new ATOM 0 HE1 TYR A 56 52.603 -18.282 5.332 1.00 10.00 H new ATOM 0 HE2 TYR A 56 49.998 -19.146 2.003 1.00 10.00 H new ATOM 0 HH TYR A 56 51.893 -17.999 1.811 1.00 10.00 H new ATOM 840 N GLN A 57 45.949 -20.380 5.430 1.00 10.00 N ATOM 841 CA GLN A 57 44.926 -19.533 4.798 1.00 10.00 C ATOM 842 C GLN A 57 43.920 -18.951 5.809 1.00 10.00 C ATOM 843 O GLN A 57 43.535 -17.788 5.692 1.00 10.00 O ATOM 844 CB GLN A 57 44.193 -20.293 3.679 1.00 10.00 C ATOM 845 CG GLN A 57 45.032 -20.415 2.394 1.00 10.00 C ATOM 846 CD GLN A 57 45.304 -19.070 1.716 1.00 10.00 C ATOM 847 OE1 GLN A 57 44.423 -18.241 1.523 1.00 10.00 O ATOM 848 NE2 GLN A 57 46.532 -18.791 1.331 1.00 10.00 N ATOM 0 H GLN A 57 45.907 -21.361 5.156 1.00 10.00 H new ATOM 0 HA GLN A 57 45.456 -18.687 4.360 1.00 10.00 H new ATOM 0 HB2 GLN A 57 43.932 -21.290 4.033 1.00 10.00 H new ATOM 0 HB3 GLN A 57 43.258 -19.781 3.450 1.00 10.00 H new ATOM 0 HG2 GLN A 57 45.983 -20.892 2.633 1.00 10.00 H new ATOM 0 HG3 GLN A 57 44.515 -21.069 1.692 1.00 10.00 H new ATOM 0 HE21 GLN A 57 47.280 -19.468 1.482 1.00 10.00 H new ATOM 0 HE22 GLN A 57 46.735 -17.898 0.881 1.00 10.00 H new ATOM 857 N MET A 58 43.522 -19.719 6.828 1.00 10.00 N ATOM 858 CA MET A 58 42.606 -19.285 7.891 1.00 10.00 C ATOM 859 C MET A 58 43.232 -18.230 8.809 1.00 10.00 C ATOM 860 O MET A 58 42.631 -17.184 9.058 1.00 10.00 O ATOM 861 CB MET A 58 42.136 -20.534 8.653 1.00 10.00 C ATOM 862 CG MET A 58 41.177 -20.272 9.819 1.00 10.00 C ATOM 863 SD MET A 58 41.920 -19.729 11.387 1.00 10.00 S ATOM 864 CE MET A 58 42.729 -21.261 11.930 1.00 10.00 C ATOM 0 H MET A 58 43.835 -20.683 6.941 1.00 10.00 H new ATOM 0 HA MET A 58 41.743 -18.786 7.450 1.00 10.00 H new ATOM 0 HB2 MET A 58 41.648 -21.207 7.948 1.00 10.00 H new ATOM 0 HB3 MET A 58 43.013 -21.056 9.036 1.00 10.00 H new ATOM 0 HG2 MET A 58 40.458 -19.516 9.504 1.00 10.00 H new ATOM 0 HG3 MET A 58 40.615 -21.187 10.008 1.00 10.00 H new ATOM 0 HE1 MET A 58 43.140 -21.121 12.930 1.00 10.00 H new ATOM 0 HE2 MET A 58 42.000 -22.071 11.947 1.00 10.00 H new ATOM 0 HE3 MET A 58 43.534 -21.512 11.239 1.00 10.00 H new ATOM 874 N ILE A 59 44.468 -18.448 9.255 1.00 10.00 N ATOM 875 CA ILE A 59 45.212 -17.496 10.070 1.00 10.00 C ATOM 876 C ILE A 59 45.588 -16.271 9.234 1.00 10.00 C ATOM 877 O ILE A 59 45.545 -15.151 9.734 1.00 10.00 O ATOM 878 CB ILE A 59 46.434 -18.221 10.657 1.00 10.00 C ATOM 879 CG1 ILE A 59 46.003 -19.341 11.633 1.00 10.00 C ATOM 880 CG2 ILE A 59 47.354 -17.266 11.416 1.00 10.00 C ATOM 881 CD1 ILE A 59 47.178 -20.221 12.050 1.00 10.00 C ATOM 0 H ILE A 59 44.986 -19.304 9.056 1.00 10.00 H new ATOM 0 HA ILE A 59 44.606 -17.126 10.897 1.00 10.00 H new ATOM 0 HB ILE A 59 46.970 -18.645 9.808 1.00 10.00 H new ATOM 0 HG12 ILE A 59 45.552 -18.895 12.519 1.00 10.00 H new ATOM 0 HG13 ILE A 59 45.238 -19.958 11.162 1.00 10.00 H new ATOM 0 HG21 ILE A 59 48.204 -17.820 11.814 1.00 10.00 H new ATOM 0 HG22 ILE A 59 47.711 -16.490 10.739 1.00 10.00 H new ATOM 0 HG23 ILE A 59 46.804 -16.806 12.237 1.00 10.00 H new ATOM 0 HD11 ILE A 59 46.829 -20.993 12.735 1.00 10.00 H new ATOM 0 HD12 ILE A 59 47.613 -20.689 11.167 1.00 10.00 H new ATOM 0 HD13 ILE A 59 47.932 -19.610 12.546 1.00 10.00 H new ATOM 893 N MET A 60 45.894 -16.448 7.948 1.00 10.00 N ATOM 894 CA MET A 60 46.165 -15.346 7.029 1.00 10.00 C ATOM 895 C MET A 60 44.924 -14.500 6.746 1.00 10.00 C ATOM 896 O MET A 60 45.040 -13.290 6.592 1.00 10.00 O ATOM 897 CB MET A 60 46.784 -15.852 5.726 1.00 10.00 C ATOM 898 CG MET A 60 47.533 -14.724 5.025 1.00 10.00 C ATOM 899 SD MET A 60 48.564 -15.267 3.642 1.00 10.00 S ATOM 900 CE MET A 60 49.916 -15.975 4.621 1.00 10.00 C ATOM 0 H MET A 60 45.961 -17.368 7.513 1.00 10.00 H new ATOM 0 HA MET A 60 46.887 -14.698 7.526 1.00 10.00 H new ATOM 0 HB2 MET A 60 47.466 -16.676 5.935 1.00 10.00 H new ATOM 0 HB3 MET A 60 46.004 -16.242 5.072 1.00 10.00 H new ATOM 0 HG2 MET A 60 46.810 -13.994 4.660 1.00 10.00 H new ATOM 0 HG3 MET A 60 48.162 -14.213 5.754 1.00 10.00 H new ATOM 0 HE1 MET A 60 50.802 -16.082 3.995 1.00 10.00 H new ATOM 0 HE2 MET A 60 50.142 -15.316 5.459 1.00 10.00 H new ATOM 0 HE3 MET A 60 49.618 -16.953 4.998 1.00 10.00 H new ATOM 910 N SER A 61 43.734 -15.105 6.746 1.00 10.00 N ATOM 911 CA SER A 61 42.458 -14.380 6.700 1.00 10.00 C ATOM 912 C SER A 61 42.281 -13.481 7.933 1.00 10.00 C ATOM 913 O SER A 61 41.905 -12.318 7.791 1.00 10.00 O ATOM 914 CB SER A 61 41.281 -15.356 6.553 1.00 10.00 C ATOM 915 OG SER A 61 41.327 -16.001 5.290 1.00 10.00 O ATOM 0 H SER A 61 43.626 -16.119 6.778 1.00 10.00 H new ATOM 0 HA SER A 61 42.473 -13.734 5.823 1.00 10.00 H new ATOM 0 HB2 SER A 61 41.315 -16.099 7.349 1.00 10.00 H new ATOM 0 HB3 SER A 61 40.339 -14.818 6.659 1.00 10.00 H new ATOM 0 HG SER A 61 42.046 -16.667 5.289 1.00 10.00 H new ATOM 921 N GLU A 62 42.634 -13.961 9.132 1.00 10.00 N ATOM 922 CA GLU A 62 42.658 -13.135 10.353 1.00 10.00 C ATOM 923 C GLU A 62 43.762 -12.064 10.338 1.00 10.00 C ATOM 924 O GLU A 62 43.516 -10.909 10.695 1.00 10.00 O ATOM 925 CB GLU A 62 42.797 -14.016 11.608 1.00 10.00 C ATOM 926 CG GLU A 62 41.562 -14.892 11.848 1.00 10.00 C ATOM 927 CD GLU A 62 41.565 -15.480 13.273 1.00 10.00 C ATOM 928 OE1 GLU A 62 42.416 -16.348 13.583 1.00 10.00 O ATOM 929 OE2 GLU A 62 40.712 -15.072 14.101 1.00 10.00 O ATOM 0 H GLU A 62 42.911 -14.930 9.286 1.00 10.00 H new ATOM 0 HA GLU A 62 41.704 -12.609 10.380 1.00 10.00 H new ATOM 0 HB2 GLU A 62 43.676 -14.652 11.506 1.00 10.00 H new ATOM 0 HB3 GLU A 62 42.963 -13.381 12.478 1.00 10.00 H new ATOM 0 HG2 GLU A 62 40.659 -14.301 11.697 1.00 10.00 H new ATOM 0 HG3 GLU A 62 41.539 -15.701 11.118 1.00 10.00 H new ATOM 936 N TYR A 63 44.963 -12.415 9.878 1.00 10.00 N ATOM 937 CA TYR A 63 46.098 -11.496 9.750 1.00 10.00 C ATOM 938 C TYR A 63 45.817 -10.361 8.763 1.00 10.00 C ATOM 939 O TYR A 63 46.087 -9.195 9.052 1.00 10.00 O ATOM 940 CB TYR A 63 47.339 -12.284 9.316 1.00 10.00 C ATOM 941 CG TYR A 63 48.537 -11.426 8.960 1.00 10.00 C ATOM 942 CD1 TYR A 63 49.279 -10.774 9.964 1.00 10.00 C ATOM 943 CD2 TYR A 63 48.903 -11.283 7.607 1.00 10.00 C ATOM 944 CE1 TYR A 63 50.389 -9.980 9.614 1.00 10.00 C ATOM 945 CE2 TYR A 63 50.016 -10.502 7.254 1.00 10.00 C ATOM 946 CZ TYR A 63 50.763 -9.844 8.257 1.00 10.00 C ATOM 947 OH TYR A 63 51.837 -9.078 7.916 1.00 10.00 O ATOM 0 H TYR A 63 45.180 -13.365 9.577 1.00 10.00 H new ATOM 0 HA TYR A 63 46.269 -11.034 10.722 1.00 10.00 H new ATOM 0 HB2 TYR A 63 47.621 -12.964 10.120 1.00 10.00 H new ATOM 0 HB3 TYR A 63 47.080 -12.899 8.454 1.00 10.00 H new ATOM 0 HD1 TYR A 63 48.997 -10.883 11.001 1.00 10.00 H new ATOM 0 HD2 TYR A 63 48.326 -11.776 6.838 1.00 10.00 H new ATOM 0 HE1 TYR A 63 50.955 -9.475 10.383 1.00 10.00 H new ATOM 0 HE2 TYR A 63 50.301 -10.404 6.217 1.00 10.00 H new ATOM 0 HH TYR A 63 51.955 -9.094 6.943 1.00 10.00 H new ATOM 957 N ASN A 64 45.238 -10.690 7.609 1.00 10.00 N ATOM 958 CA ASN A 64 44.922 -9.722 6.566 1.00 10.00 C ATOM 959 C ASN A 64 43.799 -8.763 7.016 1.00 10.00 C ATOM 960 O ASN A 64 43.830 -7.571 6.704 1.00 10.00 O ATOM 961 CB ASN A 64 44.550 -10.474 5.278 1.00 10.00 C ATOM 962 CG ASN A 64 44.274 -9.528 4.122 1.00 10.00 C ATOM 963 OD1 ASN A 64 43.143 -9.157 3.846 1.00 10.00 O ATOM 964 ND2 ASN A 64 45.296 -9.096 3.416 1.00 10.00 N ATOM 0 H ASN A 64 44.974 -11.646 7.372 1.00 10.00 H new ATOM 0 HA ASN A 64 45.797 -9.103 6.369 1.00 10.00 H new ATOM 0 HB2 ASN A 64 45.361 -11.150 5.007 1.00 10.00 H new ATOM 0 HB3 ASN A 64 43.669 -11.090 5.460 1.00 10.00 H new ATOM 0 HD21 ASN A 64 45.144 -8.452 2.640 1.00 10.00 H new ATOM 0 HD22 ASN A 64 46.241 -9.405 3.645 1.00 10.00 H new ATOM 1108 N VAL A 74 43.530 4.923 10.154 1.00 10.00 N ATOM 1109 CA VAL A 74 43.793 6.102 9.329 1.00 10.00 C ATOM 1110 C VAL A 74 42.491 6.640 8.721 1.00 10.00 C ATOM 1111 O VAL A 74 42.253 7.845 8.769 1.00 10.00 O ATOM 1112 CB VAL A 74 44.807 5.739 8.222 1.00 10.00 C ATOM 1113 CG1 VAL A 74 45.258 6.998 7.501 1.00 10.00 C ATOM 1114 CG2 VAL A 74 46.064 5.042 8.769 1.00 10.00 C ATOM 0 HA VAL A 74 44.216 6.888 9.954 1.00 10.00 H new ATOM 0 HB VAL A 74 44.292 5.053 7.550 1.00 10.00 H new ATOM 0 HG11 VAL A 74 45.973 6.735 6.722 1.00 10.00 H new ATOM 0 HG12 VAL A 74 44.395 7.488 7.051 1.00 10.00 H new ATOM 0 HG13 VAL A 74 45.730 7.675 8.213 1.00 10.00 H new ATOM 0 HG21 VAL A 74 46.740 4.811 7.945 1.00 10.00 H new ATOM 0 HG22 VAL A 74 46.567 5.701 9.477 1.00 10.00 H new ATOM 0 HG23 VAL A 74 45.778 4.119 9.273 1.00 10.00 H new ATOM 1124 N LYS A 75 41.592 5.766 8.235 1.00 10.00 N ATOM 1125 CA LYS A 75 40.242 6.155 7.757 1.00 10.00 C ATOM 1126 C LYS A 75 39.421 6.883 8.834 1.00 10.00 C ATOM 1127 O LYS A 75 38.671 7.811 8.528 1.00 10.00 O ATOM 1128 CB LYS A 75 39.463 4.927 7.250 1.00 10.00 C ATOM 1129 CG LYS A 75 40.153 4.191 6.090 1.00 10.00 C ATOM 1130 CD LYS A 75 39.321 2.978 5.647 1.00 10.00 C ATOM 1131 CE LYS A 75 40.062 2.188 4.562 1.00 10.00 C ATOM 1132 NZ LYS A 75 39.320 0.956 4.185 1.00 10.00 N ATOM 0 H LYS A 75 41.776 4.766 8.160 1.00 10.00 H new ATOM 0 HA LYS A 75 40.397 6.851 6.933 1.00 10.00 H new ATOM 0 HB2 LYS A 75 39.322 4.231 8.077 1.00 10.00 H new ATOM 0 HB3 LYS A 75 38.471 5.245 6.928 1.00 10.00 H new ATOM 0 HG2 LYS A 75 40.289 4.872 5.250 1.00 10.00 H new ATOM 0 HG3 LYS A 75 41.146 3.864 6.399 1.00 10.00 H new ATOM 0 HD2 LYS A 75 39.122 2.333 6.503 1.00 10.00 H new ATOM 0 HD3 LYS A 75 38.355 3.311 5.267 1.00 10.00 H new ATOM 0 HE2 LYS A 75 40.198 2.816 3.682 1.00 10.00 H new ATOM 0 HE3 LYS A 75 41.056 1.921 4.920 1.00 10.00 H new ATOM 0 HZ1 LYS A 75 39.848 0.444 3.449 1.00 10.00 H new ATOM 0 HZ2 LYS A 75 39.212 0.346 5.021 1.00 10.00 H new ATOM 0 HZ3 LYS A 75 38.381 1.214 3.821 1.00 10.00 H new ATOM 1146 N SER A 76 39.620 6.509 10.100 1.00 10.00 N ATOM 1147 CA SER A 76 39.025 7.137 11.293 1.00 10.00 C ATOM 1148 C SER A 76 39.471 8.587 11.553 1.00 10.00 C ATOM 1149 O SER A 76 38.933 9.226 12.458 1.00 10.00 O ATOM 1150 CB SER A 76 39.311 6.287 12.542 1.00 10.00 C ATOM 1151 OG SER A 76 38.783 4.975 12.409 1.00 10.00 O ATOM 0 H SER A 76 40.227 5.725 10.338 1.00 10.00 H new ATOM 0 HA SER A 76 37.956 7.182 11.084 1.00 10.00 H new ATOM 0 HB2 SER A 76 40.387 6.233 12.708 1.00 10.00 H new ATOM 0 HB3 SER A 76 38.877 6.768 13.418 1.00 10.00 H new ATOM 0 HG SER A 76 38.982 4.459 13.218 1.00 10.00 H new ATOM 1157 N MET A 77 40.404 9.160 10.778 1.00 10.00 N ATOM 1158 CA MET A 77 40.826 10.566 10.924 1.00 10.00 C ATOM 1159 C MET A 77 39.667 11.581 10.864 1.00 10.00 C ATOM 1160 O MET A 77 39.739 12.632 11.502 1.00 10.00 O ATOM 1161 CB MET A 77 41.931 10.905 9.907 1.00 10.00 C ATOM 1162 CG MET A 77 41.442 10.981 8.453 1.00 10.00 C ATOM 1163 SD MET A 77 42.761 11.320 7.255 1.00 10.00 S ATOM 1164 CE MET A 77 41.781 11.334 5.729 1.00 10.00 C ATOM 0 H MET A 77 40.889 8.663 10.031 1.00 10.00 H new ATOM 0 HA MET A 77 41.230 10.660 11.932 1.00 10.00 H new ATOM 0 HB2 MET A 77 42.380 11.861 10.179 1.00 10.00 H new ATOM 0 HB3 MET A 77 42.717 10.153 9.976 1.00 10.00 H new ATOM 0 HG2 MET A 77 40.960 10.039 8.192 1.00 10.00 H new ATOM 0 HG3 MET A 77 40.684 11.760 8.375 1.00 10.00 H new ATOM 0 HE1 MET A 77 42.434 11.530 4.879 1.00 10.00 H new ATOM 0 HE2 MET A 77 41.297 10.366 5.599 1.00 10.00 H new ATOM 0 HE3 MET A 77 41.022 12.114 5.791 1.00 10.00 H new ATOM 1174 N LYS A 78 38.571 11.257 10.160 1.00 10.00 N ATOM 1175 CA LYS A 78 37.334 12.062 10.114 1.00 10.00 C ATOM 1176 C LYS A 78 36.615 12.148 11.470 1.00 10.00 C ATOM 1177 O LYS A 78 36.012 13.172 11.783 1.00 10.00 O ATOM 1178 CB LYS A 78 36.381 11.489 9.050 1.00 10.00 C ATOM 1179 CG LYS A 78 36.954 11.597 7.624 1.00 10.00 C ATOM 1180 CD LYS A 78 36.034 10.974 6.562 1.00 10.00 C ATOM 1181 CE LYS A 78 34.710 11.737 6.409 1.00 10.00 C ATOM 1182 NZ LYS A 78 33.849 11.131 5.360 1.00 10.00 N ATOM 0 H LYS A 78 38.516 10.410 9.594 1.00 10.00 H new ATOM 0 HA LYS A 78 37.628 13.078 9.852 1.00 10.00 H new ATOM 0 HB2 LYS A 78 36.175 10.443 9.277 1.00 10.00 H new ATOM 0 HB3 LYS A 78 35.429 12.018 9.097 1.00 10.00 H new ATOM 0 HG2 LYS A 78 37.120 12.647 7.383 1.00 10.00 H new ATOM 0 HG3 LYS A 78 37.926 11.105 7.590 1.00 10.00 H new ATOM 0 HD2 LYS A 78 36.552 10.956 5.603 1.00 10.00 H new ATOM 0 HD3 LYS A 78 35.824 9.939 6.830 1.00 10.00 H new ATOM 0 HE2 LYS A 78 34.178 11.739 7.361 1.00 10.00 H new ATOM 0 HE3 LYS A 78 34.916 12.777 6.156 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 32.963 11.671 5.283 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 34.347 11.151 4.447 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 33.633 10.146 5.614 1.00 10.00 H new ATOM 1196 N ASP A 79 36.702 11.097 12.288 1.00 10.00 N ATOM 1197 CA ASP A 79 36.197 11.090 13.668 1.00 10.00 C ATOM 1198 C ASP A 79 37.147 11.840 14.619 1.00 10.00 C ATOM 1199 O ASP A 79 36.686 12.580 15.490 1.00 10.00 O ATOM 1200 CB ASP A 79 35.993 9.644 14.147 1.00 10.00 C ATOM 1201 CG ASP A 79 34.853 8.945 13.392 1.00 10.00 C ATOM 1202 OD1 ASP A 79 33.668 9.256 13.665 1.00 10.00 O ATOM 1203 OD2 ASP A 79 35.133 8.073 12.534 1.00 10.00 O ATOM 0 H ASP A 79 37.130 10.214 12.010 1.00 10.00 H new ATOM 0 HA ASP A 79 35.239 11.609 13.679 1.00 10.00 H new ATOM 0 HB2 ASP A 79 36.917 9.082 14.010 1.00 10.00 H new ATOM 0 HB3 ASP A 79 35.775 9.643 15.215 1.00 10.00 H new ATOM 1208 N ILE A 80 38.467 11.714 14.423 1.00 10.00 N ATOM 1209 CA ILE A 80 39.479 12.481 15.174 1.00 10.00 C ATOM 1210 C ILE A 80 39.320 13.992 14.948 1.00 10.00 C ATOM 1211 O ILE A 80 39.369 14.770 15.898 1.00 10.00 O ATOM 1212 CB ILE A 80 40.910 12.001 14.828 1.00 10.00 C ATOM 1213 CG1 ILE A 80 41.126 10.489 15.082 1.00 10.00 C ATOM 1214 CG2 ILE A 80 41.979 12.813 15.585 1.00 10.00 C ATOM 1215 CD1 ILE A 80 40.908 10.015 16.525 1.00 10.00 C ATOM 0 H ILE A 80 38.868 11.075 13.736 1.00 10.00 H new ATOM 0 HA ILE A 80 39.317 12.295 16.236 1.00 10.00 H new ATOM 0 HB ILE A 80 41.021 12.171 13.757 1.00 10.00 H new ATOM 0 HG12 ILE A 80 40.453 9.931 14.431 1.00 10.00 H new ATOM 0 HG13 ILE A 80 42.143 10.232 14.785 1.00 10.00 H new ATOM 0 HG21 ILE A 80 42.971 12.448 15.317 1.00 10.00 H new ATOM 0 HG22 ILE A 80 41.895 13.866 15.315 1.00 10.00 H new ATOM 0 HG23 ILE A 80 41.829 12.700 16.659 1.00 10.00 H new ATOM 0 HD11 ILE A 80 41.086 8.941 16.586 1.00 10.00 H new ATOM 0 HD12 ILE A 80 41.599 10.536 17.187 1.00 10.00 H new ATOM 0 HD13 ILE A 80 39.883 10.230 16.828 1.00 10.00 H new ATOM 1227 N ASP A 81 39.051 14.417 13.712 1.00 10.00 N ATOM 1228 CA ASP A 81 38.823 15.821 13.332 1.00 10.00 C ATOM 1229 C ASP A 81 37.661 16.503 14.093 1.00 10.00 C ATOM 1230 O ASP A 81 37.667 17.723 14.264 1.00 10.00 O ATOM 1231 CB ASP A 81 38.605 15.888 11.814 1.00 10.00 C ATOM 1232 CG ASP A 81 38.484 17.331 11.296 1.00 10.00 C ATOM 1233 OD1 ASP A 81 39.510 18.053 11.272 1.00 10.00 O ATOM 1234 OD2 ASP A 81 37.374 17.737 10.872 1.00 10.00 O ATOM 0 H ASP A 81 38.983 13.777 12.920 1.00 10.00 H new ATOM 0 HA ASP A 81 39.710 16.385 13.619 1.00 10.00 H new ATOM 0 HB2 ASP A 81 39.435 15.393 11.309 1.00 10.00 H new ATOM 0 HB3 ASP A 81 37.701 15.336 11.556 1.00 10.00 H new ATOM 1239 N SER A 82 36.699 15.730 14.612 1.00 10.00 N ATOM 1240 CA SER A 82 35.607 16.238 15.464 1.00 10.00 C ATOM 1241 C SER A 82 36.044 16.586 16.902 1.00 10.00 C ATOM 1242 O SER A 82 35.288 17.247 17.620 1.00 10.00 O ATOM 1243 CB SER A 82 34.454 15.226 15.523 1.00 10.00 C ATOM 1244 OG SER A 82 33.896 15.006 14.234 1.00 10.00 O ATOM 0 H SER A 82 36.653 14.724 14.453 1.00 10.00 H new ATOM 0 HA SER A 82 35.282 17.167 14.995 1.00 10.00 H new ATOM 0 HB2 SER A 82 34.816 14.282 15.931 1.00 10.00 H new ATOM 0 HB3 SER A 82 33.681 15.591 16.199 1.00 10.00 H new ATOM 0 HG SER A 82 33.165 14.356 14.300 1.00 10.00 H new ATOM 1250 N SER A 83 37.250 16.181 17.322 1.00 10.00 N ATOM 1251 CA SER A 83 37.746 16.283 18.713 1.00 10.00 C ATOM 1252 C SER A 83 39.206 16.758 18.840 1.00 10.00 C ATOM 1253 O SER A 83 39.670 17.020 19.951 1.00 10.00 O ATOM 1254 CB SER A 83 37.600 14.924 19.414 1.00 10.00 C ATOM 1255 OG SER A 83 36.243 14.498 19.437 1.00 10.00 O ATOM 0 H SER A 83 37.932 15.761 16.690 1.00 10.00 H new ATOM 0 HA SER A 83 37.132 17.048 19.188 1.00 10.00 H new ATOM 0 HB2 SER A 83 38.208 14.180 18.900 1.00 10.00 H new ATOM 0 HB3 SER A 83 37.978 14.996 20.434 1.00 10.00 H new ATOM 0 HG SER A 83 36.180 13.630 19.887 1.00 10.00 H new