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 -164:sc= -2.2 (180deg=-3.56!) USER MOD Set 2.1: A 42 ASN : amide:sc= 1.22 K(o=1.9,f=-0.58) USER MOD Set 2.2: A 45 LYS NZ :NH3+ -178:sc= 0.664 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 44 THR OG1 : rot 57:sc= 1.26 USER MOD Single : A 46 ASN : amide:sc= -1.7 K(o=-1.7,f=-4.6!) USER MOD Single : A 48 SER OG : rot -31:sc= 0.609 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.47 X(o=-0.47,f=-0.27) USER MOD Single : A 57 GLN : amide:sc= -0.0634 X(o=-0.063,f=-0.08) USER MOD Single : A 58 MET CE :methyl 170:sc= 0 (180deg=-0.127) USER MOD Single : A 61 SER OG : rot 83:sc= 0.00183 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.027) 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 79:sc= 0.873 USER MOD Single : A 83 SER OG : rot 84:sc= 0.975 USER MOD ----------------------------------------------------------------- ATOM 461 N LEU A 32 49.834 -12.262 16.519 1.00 10.00 N ATOM 462 CA LEU A 32 49.102 -12.726 15.337 1.00 10.00 C ATOM 463 C LEU A 32 50.069 -13.090 14.193 1.00 10.00 C ATOM 464 O LEU A 32 49.905 -14.099 13.507 1.00 10.00 O ATOM 465 CB LEU A 32 48.134 -11.597 14.929 1.00 10.00 C ATOM 466 CG LEU A 32 46.789 -12.048 14.327 1.00 10.00 C ATOM 467 CD1 LEU A 32 46.039 -10.819 13.810 1.00 10.00 C ATOM 468 CD2 LEU A 32 46.918 -13.048 13.179 1.00 10.00 C ATOM 0 HA LEU A 32 48.544 -13.635 15.561 1.00 10.00 H new ATOM 0 HB2 LEU A 32 47.930 -10.985 15.807 1.00 10.00 H new ATOM 0 HB3 LEU A 32 48.638 -10.957 14.205 1.00 10.00 H new ATOM 0 HG LEU A 32 46.253 -12.555 15.129 1.00 10.00 H new ATOM 0 HD11 LEU A 32 45.085 -11.128 13.382 1.00 10.00 H new ATOM 0 HD12 LEU A 32 45.860 -10.129 14.634 1.00 10.00 H new ATOM 0 HD13 LEU A 32 46.637 -10.323 13.045 1.00 10.00 H new ATOM 0 HD21 LEU A 32 45.926 -13.313 12.814 1.00 10.00 H new ATOM 0 HD22 LEU A 32 47.495 -12.601 12.370 1.00 10.00 H new ATOM 0 HD23 LEU A 32 47.425 -13.945 13.533 1.00 10.00 H new ATOM 480 N ASN A 33 51.136 -12.304 14.037 1.00 10.00 N ATOM 481 CA ASN A 33 52.237 -12.613 13.119 1.00 10.00 C ATOM 482 C ASN A 33 52.956 -13.922 13.503 1.00 10.00 C ATOM 483 O ASN A 33 53.274 -14.725 12.630 1.00 10.00 O ATOM 484 CB ASN A 33 53.184 -11.400 13.056 1.00 10.00 C ATOM 485 CG ASN A 33 54.476 -11.688 12.313 1.00 10.00 C ATOM 486 OD1 ASN A 33 55.511 -11.938 12.916 1.00 10.00 O ATOM 487 ND2 ASN A 33 54.466 -11.662 11.000 1.00 10.00 N ATOM 0 H ASN A 33 51.262 -11.430 14.547 1.00 10.00 H new ATOM 0 HA ASN A 33 51.841 -12.792 12.119 1.00 10.00 H new ATOM 0 HB2 ASN A 33 52.670 -10.571 12.570 1.00 10.00 H new ATOM 0 HB3 ASN A 33 53.420 -11.078 14.070 1.00 10.00 H new ATOM 0 HD21 ASN A 33 55.323 -11.851 10.480 1.00 10.00 H new ATOM 0 HD22 ASN A 33 53.601 -11.453 10.501 1.00 10.00 H new ATOM 494 N LYS A 34 53.144 -14.186 14.801 1.00 10.00 N ATOM 495 CA LYS A 34 53.714 -15.434 15.333 1.00 10.00 C ATOM 496 C LYS A 34 52.800 -16.638 15.086 1.00 10.00 C ATOM 497 O LYS A 34 53.290 -17.692 14.685 1.00 10.00 O ATOM 498 CB LYS A 34 54.052 -15.249 16.825 1.00 10.00 C ATOM 499 CG LYS A 34 54.879 -16.413 17.389 1.00 10.00 C ATOM 500 CD LYS A 34 55.215 -16.184 18.869 1.00 10.00 C ATOM 501 CE LYS A 34 56.031 -17.362 19.413 1.00 10.00 C ATOM 502 NZ LYS A 34 56.327 -17.203 20.861 1.00 10.00 N ATOM 0 H LYS A 34 52.898 -13.520 15.533 1.00 10.00 H new ATOM 0 HA LYS A 34 54.637 -15.654 14.796 1.00 10.00 H new ATOM 0 HB2 LYS A 34 54.604 -14.318 16.957 1.00 10.00 H new ATOM 0 HB3 LYS A 34 53.128 -15.155 17.395 1.00 10.00 H new ATOM 0 HG2 LYS A 34 54.324 -17.345 17.279 1.00 10.00 H new ATOM 0 HG3 LYS A 34 55.800 -16.520 16.816 1.00 10.00 H new ATOM 0 HD2 LYS A 34 55.779 -15.258 18.983 1.00 10.00 H new ATOM 0 HD3 LYS A 34 54.297 -16.071 19.445 1.00 10.00 H new ATOM 0 HE2 LYS A 34 55.482 -18.290 19.254 1.00 10.00 H new ATOM 0 HE3 LYS A 34 56.965 -17.445 18.857 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 56.880 -18.018 21.194 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 56.873 -16.330 21.010 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 55.435 -17.149 21.394 1.00 10.00 H new ATOM 516 N GLN A 35 51.481 -16.472 15.223 1.00 10.00 N ATOM 517 CA GLN A 35 50.491 -17.490 14.830 1.00 10.00 C ATOM 518 C GLN A 35 50.605 -17.837 13.338 1.00 10.00 C ATOM 519 O GLN A 35 50.554 -19.006 12.954 1.00 10.00 O ATOM 520 CB GLN A 35 49.052 -17.023 15.129 1.00 10.00 C ATOM 521 CG GLN A 35 48.698 -16.939 16.621 1.00 10.00 C ATOM 522 CD GLN A 35 47.270 -16.428 16.834 1.00 10.00 C ATOM 523 OE1 GLN A 35 46.311 -16.927 16.257 1.00 10.00 O ATOM 524 NE2 GLN A 35 47.044 -15.426 17.657 1.00 10.00 N ATOM 0 H GLN A 35 51.064 -15.626 15.611 1.00 10.00 H new ATOM 0 HA GLN A 35 50.708 -18.379 15.422 1.00 10.00 H new ATOM 0 HB2 GLN A 35 48.903 -16.041 14.679 1.00 10.00 H new ATOM 0 HB3 GLN A 35 48.355 -17.706 14.643 1.00 10.00 H new ATOM 0 HG2 GLN A 35 48.804 -17.923 17.077 1.00 10.00 H new ATOM 0 HG3 GLN A 35 49.401 -16.276 17.126 1.00 10.00 H new ATOM 0 HE21 GLN A 35 47.820 -14.988 18.153 1.00 10.00 H new ATOM 0 HE22 GLN A 35 46.092 -15.087 17.799 1.00 10.00 H new ATOM 533 N LEU A 36 50.802 -16.828 12.490 1.00 10.00 N ATOM 534 CA LEU A 36 50.935 -17.008 11.045 1.00 10.00 C ATOM 535 C LEU A 36 52.273 -17.623 10.630 1.00 10.00 C ATOM 536 O LEU A 36 52.296 -18.501 9.772 1.00 10.00 O ATOM 537 CB LEU A 36 50.674 -15.676 10.360 1.00 10.00 C ATOM 538 CG LEU A 36 50.564 -15.842 8.838 1.00 10.00 C ATOM 539 CD1 LEU A 36 49.451 -16.764 8.333 1.00 10.00 C ATOM 540 CD2 LEU A 36 50.244 -14.459 8.315 1.00 10.00 C ATOM 0 H LEU A 36 50.874 -15.855 12.789 1.00 10.00 H new ATOM 0 HA LEU A 36 50.190 -17.735 10.721 1.00 10.00 H new ATOM 0 HB2 LEU A 36 49.753 -15.240 10.748 1.00 10.00 H new ATOM 0 HB3 LEU A 36 51.480 -14.980 10.595 1.00 10.00 H new ATOM 0 HG LEU A 36 51.496 -16.294 8.498 1.00 10.00 H new ATOM 0 HD11 LEU A 36 49.475 -16.800 7.244 1.00 10.00 H new ATOM 0 HD12 LEU A 36 49.600 -17.767 8.733 1.00 10.00 H new ATOM 0 HD13 LEU A 36 48.485 -16.382 8.662 1.00 10.00 H new ATOM 0 HD21 LEU A 36 50.149 -14.493 7.230 1.00 10.00 H new ATOM 0 HD22 LEU A 36 49.306 -14.113 8.750 1.00 10.00 H new ATOM 0 HD23 LEU A 36 51.046 -13.772 8.588 1.00 10.00 H new ATOM 552 N GLN A 37 53.378 -17.226 11.261 1.00 10.00 N ATOM 553 CA GLN A 37 54.681 -17.869 11.061 1.00 10.00 C ATOM 554 C GLN A 37 54.683 -19.320 11.568 1.00 10.00 C ATOM 555 O GLN A 37 55.323 -20.178 10.965 1.00 10.00 O ATOM 556 CB GLN A 37 55.791 -17.039 11.725 1.00 10.00 C ATOM 557 CG GLN A 37 56.052 -15.725 10.966 1.00 10.00 C ATOM 558 CD GLN A 37 57.152 -14.864 11.593 1.00 10.00 C ATOM 559 OE1 GLN A 37 57.366 -14.823 12.799 1.00 10.00 O ATOM 560 NE2 GLN A 37 57.907 -14.141 10.792 1.00 10.00 N ATOM 0 H GLN A 37 53.398 -16.451 11.924 1.00 10.00 H new ATOM 0 HA GLN A 37 54.878 -17.910 9.990 1.00 10.00 H new ATOM 0 HB2 GLN A 37 55.511 -16.815 12.754 1.00 10.00 H new ATOM 0 HB3 GLN A 37 56.709 -17.625 11.764 1.00 10.00 H new ATOM 0 HG2 GLN A 37 56.326 -15.958 9.937 1.00 10.00 H new ATOM 0 HG3 GLN A 37 55.128 -15.148 10.927 1.00 10.00 H new ATOM 0 HE21 GLN A 37 57.746 -14.160 9.785 1.00 10.00 H new ATOM 0 HE22 GLN A 37 58.652 -13.562 11.179 1.00 10.00 H new ATOM 569 N ASP A 38 53.918 -19.632 12.618 1.00 10.00 N ATOM 570 CA ASP A 38 53.669 -21.013 13.052 1.00 10.00 C ATOM 571 C ASP A 38 52.838 -21.794 12.017 1.00 10.00 C ATOM 572 O ASP A 38 53.138 -22.958 11.737 1.00 10.00 O ATOM 573 CB ASP A 38 53.014 -21.025 14.439 1.00 10.00 C ATOM 574 CG ASP A 38 52.772 -22.459 14.938 1.00 10.00 C ATOM 575 OD1 ASP A 38 53.741 -23.114 15.389 1.00 10.00 O ATOM 576 OD2 ASP A 38 51.611 -22.931 14.889 1.00 10.00 O ATOM 0 H ASP A 38 53.451 -18.932 13.195 1.00 10.00 H new ATOM 0 HA ASP A 38 54.628 -21.525 13.128 1.00 10.00 H new ATOM 0 HB2 ASP A 38 53.651 -20.495 15.147 1.00 10.00 H new ATOM 0 HB3 ASP A 38 52.066 -20.488 14.399 1.00 10.00 H new ATOM 581 N ALA A 39 51.863 -21.149 11.364 1.00 10.00 N ATOM 582 CA ALA A 39 51.174 -21.745 10.216 1.00 10.00 C ATOM 583 C ALA A 39 52.154 -22.040 9.081 1.00 10.00 C ATOM 584 O ALA A 39 52.172 -23.146 8.550 1.00 10.00 O ATOM 585 CB ALA A 39 50.023 -20.865 9.693 1.00 10.00 C ATOM 0 H ALA A 39 51.535 -20.216 11.612 1.00 10.00 H new ATOM 0 HA ALA A 39 50.740 -22.680 10.572 1.00 10.00 H new ATOM 0 HB1 ALA A 39 49.548 -21.355 8.843 1.00 10.00 H new ATOM 0 HB2 ALA A 39 49.288 -20.719 10.485 1.00 10.00 H new ATOM 0 HB3 ALA A 39 50.417 -19.898 9.381 1.00 10.00 H new ATOM 591 N GLN A 40 53.004 -21.067 8.761 1.00 10.00 N ATOM 592 CA GLN A 40 54.009 -21.137 7.706 1.00 10.00 C ATOM 593 C GLN A 40 55.108 -22.158 8.010 1.00 10.00 C ATOM 594 O GLN A 40 55.709 -22.663 7.073 1.00 10.00 O ATOM 595 CB GLN A 40 54.608 -19.730 7.512 1.00 10.00 C ATOM 596 CG GLN A 40 55.288 -19.558 6.142 1.00 10.00 C ATOM 597 CD GLN A 40 55.895 -18.169 5.932 1.00 10.00 C ATOM 598 OE1 GLN A 40 55.599 -17.198 6.618 1.00 10.00 O ATOM 599 NE2 GLN A 40 56.783 -18.017 4.971 1.00 10.00 N ATOM 0 H GLN A 40 53.011 -20.172 9.250 1.00 10.00 H new ATOM 0 HA GLN A 40 53.528 -21.476 6.789 1.00 10.00 H new ATOM 0 HB2 GLN A 40 53.819 -18.986 7.617 1.00 10.00 H new ATOM 0 HB3 GLN A 40 55.335 -19.537 8.301 1.00 10.00 H new ATOM 0 HG2 GLN A 40 56.072 -20.308 6.038 1.00 10.00 H new ATOM 0 HG3 GLN A 40 54.557 -19.749 5.356 1.00 10.00 H new ATOM 0 HE21 GLN A 40 57.044 -18.812 4.388 1.00 10.00 H new ATOM 0 HE22 GLN A 40 57.209 -17.104 4.810 1.00 10.00 H new ATOM 608 N ALA A 41 55.384 -22.488 9.272 1.00 10.00 N ATOM 609 CA ALA A 41 56.258 -23.601 9.661 1.00 10.00 C ATOM 610 C ALA A 41 55.586 -24.977 9.613 1.00 10.00 C ATOM 611 O ALA A 41 56.226 -25.938 9.185 1.00 10.00 O ATOM 612 CB ALA A 41 56.898 -23.313 11.014 1.00 10.00 C ATOM 0 H ALA A 41 55.000 -21.981 10.070 1.00 10.00 H new ATOM 0 HA ALA A 41 57.042 -23.664 8.906 1.00 10.00 H new ATOM 0 HB1 ALA A 41 57.545 -24.144 11.295 1.00 10.00 H new ATOM 0 HB2 ALA A 41 57.489 -22.399 10.950 1.00 10.00 H new ATOM 0 HB3 ALA A 41 56.119 -23.190 11.766 1.00 10.00 H new ATOM 618 N ASN A 42 54.301 -25.100 9.970 1.00 10.00 N ATOM 619 CA ASN A 42 53.573 -26.343 9.701 1.00 10.00 C ATOM 620 C ASN A 42 53.458 -26.539 8.182 1.00 10.00 C ATOM 621 O ASN A 42 53.561 -27.663 7.687 1.00 10.00 O ATOM 622 CB ASN A 42 52.235 -26.393 10.456 1.00 10.00 C ATOM 623 CG ASN A 42 52.460 -26.591 11.947 1.00 10.00 C ATOM 624 OD1 ASN A 42 52.685 -27.699 12.417 1.00 10.00 O ATOM 625 ND2 ASN A 42 52.464 -25.542 12.734 1.00 10.00 N ATOM 0 H ASN A 42 53.757 -24.373 10.434 1.00 10.00 H new ATOM 0 HA ASN A 42 54.129 -27.196 10.090 1.00 10.00 H new ATOM 0 HB2 ASN A 42 51.683 -25.468 10.287 1.00 10.00 H new ATOM 0 HB3 ASN A 42 51.623 -27.206 10.065 1.00 10.00 H new ATOM 0 HD21 ASN A 42 52.654 -25.652 13.730 1.00 10.00 H new ATOM 0 HD22 ASN A 42 52.277 -24.616 12.350 1.00 10.00 H new ATOM 632 N LEU A 43 53.367 -25.432 7.437 1.00 10.00 N ATOM 633 CA LEU A 43 53.483 -25.411 5.999 1.00 10.00 C ATOM 634 C LEU A 43 54.920 -25.650 5.544 1.00 10.00 C ATOM 635 O LEU A 43 55.131 -26.318 4.556 1.00 10.00 O ATOM 636 CB LEU A 43 52.919 -24.079 5.464 1.00 10.00 C ATOM 637 CG LEU A 43 52.351 -24.253 4.065 1.00 10.00 C ATOM 638 CD1 LEU A 43 51.099 -25.102 4.182 1.00 10.00 C ATOM 639 CD2 LEU A 43 51.924 -22.953 3.406 1.00 10.00 C ATOM 0 H LEU A 43 53.206 -24.509 7.841 1.00 10.00 H new ATOM 0 HA LEU A 43 52.897 -26.230 5.583 1.00 10.00 H new ATOM 0 HB2 LEU A 43 52.141 -23.714 6.134 1.00 10.00 H new ATOM 0 HB3 LEU A 43 53.707 -23.326 5.450 1.00 10.00 H new ATOM 0 HG LEU A 43 53.140 -24.696 3.458 1.00 10.00 H new ATOM 0 HD11 LEU A 43 50.664 -25.247 3.193 1.00 10.00 H new ATOM 0 HD12 LEU A 43 51.355 -26.071 4.612 1.00 10.00 H new ATOM 0 HD13 LEU A 43 50.377 -24.599 4.826 1.00 10.00 H new ATOM 0 HD21 LEU A 43 51.530 -23.162 2.411 1.00 10.00 H new ATOM 0 HD22 LEU A 43 51.152 -22.476 4.009 1.00 10.00 H new ATOM 0 HD23 LEU A 43 52.783 -22.287 3.324 1.00 10.00 H new ATOM 651 N THR A 44 55.943 -25.210 6.261 1.00 10.00 N ATOM 652 CA THR A 44 57.333 -25.472 5.859 1.00 10.00 C ATOM 653 C THR A 44 57.647 -26.967 5.919 1.00 10.00 C ATOM 654 O THR A 44 58.332 -27.506 5.047 1.00 10.00 O ATOM 655 CB THR A 44 58.342 -24.701 6.711 1.00 10.00 C ATOM 656 OG1 THR A 44 58.275 -23.319 6.434 1.00 10.00 O ATOM 657 CG2 THR A 44 59.758 -25.153 6.406 1.00 10.00 C ATOM 0 H THR A 44 55.847 -24.671 7.122 1.00 10.00 H new ATOM 0 HA THR A 44 57.428 -25.123 4.831 1.00 10.00 H new ATOM 0 HB THR A 44 58.095 -24.895 7.755 1.00 10.00 H new ATOM 0 HG1 THR A 44 57.362 -22.998 6.589 1.00 10.00 H new ATOM 0 HG21 THR A 44 60.460 -24.592 7.023 1.00 10.00 H new ATOM 0 HG22 THR A 44 59.855 -26.217 6.622 1.00 10.00 H new ATOM 0 HG23 THR A 44 59.978 -24.975 5.353 1.00 10.00 H new ATOM 665 N LYS A 45 57.123 -27.645 6.943 1.00 10.00 N ATOM 666 CA LYS A 45 57.223 -29.104 7.093 1.00 10.00 C ATOM 667 C LYS A 45 56.575 -29.868 5.933 1.00 10.00 C ATOM 668 O LYS A 45 57.093 -30.914 5.535 1.00 10.00 O ATOM 669 CB LYS A 45 56.626 -29.504 8.447 1.00 10.00 C ATOM 670 CG LYS A 45 57.530 -29.144 9.639 1.00 10.00 C ATOM 671 CD LYS A 45 56.969 -29.633 10.987 1.00 10.00 C ATOM 672 CE LYS A 45 55.654 -28.925 11.337 1.00 10.00 C ATOM 673 NZ LYS A 45 55.103 -29.351 12.649 1.00 10.00 N ATOM 0 H LYS A 45 56.611 -27.194 7.701 1.00 10.00 H new ATOM 0 HA LYS A 45 58.276 -29.383 7.064 1.00 10.00 H new ATOM 0 HB2 LYS A 45 55.661 -29.013 8.570 1.00 10.00 H new ATOM 0 HB3 LYS A 45 56.440 -30.578 8.452 1.00 10.00 H new ATOM 0 HG2 LYS A 45 58.518 -29.578 9.483 1.00 10.00 H new ATOM 0 HG3 LYS A 45 57.660 -28.062 9.676 1.00 10.00 H new ATOM 0 HD2 LYS A 45 56.804 -30.710 10.945 1.00 10.00 H new ATOM 0 HD3 LYS A 45 57.701 -29.453 11.774 1.00 10.00 H new ATOM 0 HE2 LYS A 45 55.819 -27.848 11.350 1.00 10.00 H new ATOM 0 HE3 LYS A 45 54.920 -29.126 10.557 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 54.198 -28.867 12.819 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 54.950 -30.380 12.644 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 55.775 -29.105 13.404 1.00 10.00 H new ATOM 687 N ASN A 46 55.498 -29.333 5.352 1.00 10.00 N ATOM 688 CA ASN A 46 54.886 -29.809 4.121 1.00 10.00 C ATOM 689 C ASN A 46 54.195 -28.674 3.327 1.00 10.00 C ATOM 690 O ASN A 46 53.031 -28.365 3.601 1.00 10.00 O ATOM 691 CB ASN A 46 53.983 -30.985 4.470 1.00 10.00 C ATOM 692 CG ASN A 46 53.483 -31.720 3.227 1.00 10.00 C ATOM 693 OD1 ASN A 46 53.417 -31.194 2.124 1.00 10.00 O ATOM 694 ND2 ASN A 46 53.161 -32.988 3.352 1.00 10.00 N ATOM 0 H ASN A 46 55.014 -28.526 5.746 1.00 10.00 H new ATOM 0 HA ASN A 46 55.648 -30.164 3.428 1.00 10.00 H new ATOM 0 HB2 ASN A 46 54.527 -31.682 5.107 1.00 10.00 H new ATOM 0 HB3 ASN A 46 53.130 -30.627 5.046 1.00 10.00 H new ATOM 0 HD21 ASN A 46 52.861 -33.521 2.536 1.00 10.00 H new ATOM 0 HD22 ASN A 46 53.211 -33.439 4.265 1.00 10.00 H new ATOM 701 N PRO A 47 54.913 -28.021 2.379 1.00 10.00 N ATOM 702 CA PRO A 47 54.477 -26.801 1.685 1.00 10.00 C ATOM 703 C PRO A 47 53.094 -26.788 1.033 1.00 10.00 C ATOM 704 O PRO A 47 52.572 -25.702 0.772 1.00 10.00 O ATOM 705 CB PRO A 47 55.568 -26.506 0.675 1.00 10.00 C ATOM 706 CG PRO A 47 56.836 -26.968 1.382 1.00 10.00 C ATOM 707 CD PRO A 47 56.363 -28.148 2.231 1.00 10.00 C ATOM 0 HA PRO A 47 54.340 -26.032 2.446 1.00 10.00 H new ATOM 0 HB2 PRO A 47 55.409 -27.046 -0.258 1.00 10.00 H new ATOM 0 HB3 PRO A 47 55.610 -25.446 0.427 1.00 10.00 H new ATOM 0 HG2 PRO A 47 57.605 -27.269 0.671 1.00 10.00 H new ATOM 0 HG3 PRO A 47 57.263 -26.176 1.998 1.00 10.00 H new ATOM 0 HD2 PRO A 47 56.620 -29.093 1.753 1.00 10.00 H new ATOM 0 HD3 PRO A 47 56.851 -28.141 3.206 1.00 10.00 H new ATOM 715 N SER A 48 52.483 -27.949 0.782 1.00 10.00 N ATOM 716 CA SER A 48 51.084 -28.039 0.366 1.00 10.00 C ATOM 717 C SER A 48 50.301 -29.165 1.054 1.00 10.00 C ATOM 718 O SER A 48 49.427 -29.810 0.467 1.00 10.00 O ATOM 719 CB SER A 48 50.992 -27.908 -1.148 1.00 10.00 C ATOM 720 OG SER A 48 49.701 -28.115 -1.700 1.00 10.00 O ATOM 0 H SER A 48 52.947 -28.854 0.862 1.00 10.00 H new ATOM 0 HA SER A 48 50.522 -27.186 0.747 1.00 10.00 H new ATOM 0 HB2 SER A 48 51.334 -26.912 -1.431 1.00 10.00 H new ATOM 0 HB3 SER A 48 51.680 -28.622 -1.600 1.00 10.00 H new ATOM 0 HG SER A 48 49.211 -28.764 -1.153 1.00 10.00 H new ATOM 726 N ASP A 49 50.633 -29.426 2.322 1.00 10.00 N ATOM 727 CA ASP A 49 49.802 -30.267 3.189 1.00 10.00 C ATOM 728 C ASP A 49 48.493 -29.479 3.356 1.00 10.00 C ATOM 729 O ASP A 49 48.527 -28.298 3.707 1.00 10.00 O ATOM 730 CB ASP A 49 50.506 -30.567 4.519 1.00 10.00 C ATOM 731 CG ASP A 49 49.576 -31.141 5.609 1.00 10.00 C ATOM 732 OD1 ASP A 49 48.620 -30.455 6.037 1.00 10.00 O ATOM 733 OD2 ASP A 49 49.797 -32.302 6.030 1.00 10.00 O ATOM 0 H ASP A 49 51.474 -29.066 2.772 1.00 10.00 H new ATOM 0 HA ASP A 49 49.610 -31.252 2.764 1.00 10.00 H new ATOM 0 HB2 ASP A 49 51.315 -31.274 4.338 1.00 10.00 H new ATOM 0 HB3 ASP A 49 50.962 -29.650 4.892 1.00 10.00 H new ATOM 738 N PRO A 50 47.330 -30.074 3.073 1.00 10.00 N ATOM 739 CA PRO A 50 46.096 -29.319 2.978 1.00 10.00 C ATOM 740 C PRO A 50 45.555 -28.770 4.290 1.00 10.00 C ATOM 741 O PRO A 50 44.888 -27.745 4.255 1.00 10.00 O ATOM 742 CB PRO A 50 45.109 -30.262 2.324 1.00 10.00 C ATOM 743 CG PRO A 50 45.618 -31.660 2.684 1.00 10.00 C ATOM 744 CD PRO A 50 47.129 -31.474 2.768 1.00 10.00 C ATOM 0 HA PRO A 50 46.277 -28.411 2.403 1.00 10.00 H new ATOM 0 HB2 PRO A 50 44.098 -30.100 2.697 1.00 10.00 H new ATOM 0 HB3 PRO A 50 45.077 -30.117 1.244 1.00 10.00 H new ATOM 0 HG2 PRO A 50 45.203 -32.008 3.630 1.00 10.00 H new ATOM 0 HG3 PRO A 50 45.345 -32.395 1.927 1.00 10.00 H new ATOM 0 HD2 PRO A 50 47.560 -32.110 3.541 1.00 10.00 H new ATOM 0 HD3 PRO A 50 47.610 -31.744 1.828 1.00 10.00 H new ATOM 752 N THR A 51 45.841 -29.381 5.439 1.00 10.00 N ATOM 753 CA THR A 51 45.517 -28.791 6.750 1.00 10.00 C ATOM 754 C THR A 51 46.504 -27.696 7.109 1.00 10.00 C ATOM 755 O THR A 51 46.075 -26.652 7.579 1.00 10.00 O ATOM 756 CB THR A 51 45.525 -29.868 7.827 1.00 10.00 C ATOM 757 OG1 THR A 51 44.353 -30.655 7.735 1.00 10.00 O ATOM 758 CG2 THR A 51 45.616 -29.321 9.249 1.00 10.00 C ATOM 0 H THR A 51 46.299 -30.290 5.495 1.00 10.00 H new ATOM 0 HA THR A 51 44.521 -28.352 6.688 1.00 10.00 H new ATOM 0 HB THR A 51 46.422 -30.458 7.642 1.00 10.00 H new ATOM 0 HG1 THR A 51 44.367 -31.346 8.430 1.00 10.00 H new ATOM 0 HG21 THR A 51 45.616 -30.149 9.958 1.00 10.00 H new ATOM 0 HG22 THR A 51 46.536 -28.748 9.360 1.00 10.00 H new ATOM 0 HG23 THR A 51 44.760 -28.675 9.446 1.00 10.00 H new ATOM 766 N ALA A 52 47.798 -27.870 6.858 1.00 10.00 N ATOM 767 CA ALA A 52 48.789 -26.806 6.982 1.00 10.00 C ATOM 768 C ALA A 52 48.427 -25.590 6.137 1.00 10.00 C ATOM 769 O ALA A 52 48.526 -24.455 6.602 1.00 10.00 O ATOM 770 CB ALA A 52 50.145 -27.406 6.584 1.00 10.00 C ATOM 0 H ALA A 52 48.192 -28.762 6.560 1.00 10.00 H new ATOM 0 HA ALA A 52 48.827 -26.438 8.007 1.00 10.00 H new ATOM 0 HB1 ALA A 52 50.918 -26.642 6.663 1.00 10.00 H new ATOM 0 HB2 ALA A 52 50.385 -28.235 7.249 1.00 10.00 H new ATOM 0 HB3 ALA A 52 50.095 -27.768 5.557 1.00 10.00 H new ATOM 776 N LEU A 53 47.965 -25.827 4.917 1.00 10.00 N ATOM 777 CA LEU A 53 47.622 -24.785 3.968 1.00 10.00 C ATOM 778 C LEU A 53 46.246 -24.192 4.279 1.00 10.00 C ATOM 779 O LEU A 53 46.085 -22.979 4.210 1.00 10.00 O ATOM 780 CB LEU A 53 47.776 -25.405 2.574 1.00 10.00 C ATOM 781 CG LEU A 53 47.944 -24.466 1.370 1.00 10.00 C ATOM 782 CD1 LEU A 53 48.493 -23.089 1.705 1.00 10.00 C ATOM 783 CD2 LEU A 53 48.968 -25.120 0.445 1.00 10.00 C ATOM 0 H LEU A 53 47.816 -26.769 4.555 1.00 10.00 H new ATOM 0 HA LEU A 53 48.283 -23.921 4.029 1.00 10.00 H new ATOM 0 HB2 LEU A 53 48.640 -26.069 2.600 1.00 10.00 H new ATOM 0 HB3 LEU A 53 46.901 -26.028 2.389 1.00 10.00 H new ATOM 0 HG LEU A 53 46.952 -24.322 0.941 1.00 10.00 H new ATOM 0 HD11 LEU A 53 48.576 -22.499 0.793 1.00 10.00 H new ATOM 0 HD12 LEU A 53 47.820 -22.588 2.401 1.00 10.00 H new ATOM 0 HD13 LEU A 53 49.477 -23.191 2.162 1.00 10.00 H new ATOM 0 HD21 LEU A 53 49.123 -24.489 -0.430 1.00 10.00 H new ATOM 0 HD22 LEU A 53 49.912 -25.243 0.976 1.00 10.00 H new ATOM 0 HD23 LEU A 53 48.601 -26.096 0.128 1.00 10.00 H new ATOM 795 N ALA A 54 45.290 -25.002 4.736 1.00 10.00 N ATOM 796 CA ALA A 54 44.019 -24.533 5.283 1.00 10.00 C ATOM 797 C ALA A 54 44.241 -23.651 6.521 1.00 10.00 C ATOM 798 O ALA A 54 43.609 -22.609 6.675 1.00 10.00 O ATOM 799 CB ALA A 54 43.158 -25.752 5.655 1.00 10.00 C ATOM 0 H ALA A 54 45.380 -26.018 4.736 1.00 10.00 H new ATOM 0 HA ALA A 54 43.511 -23.930 4.530 1.00 10.00 H new ATOM 0 HB1 ALA A 54 42.206 -25.414 6.065 1.00 10.00 H new ATOM 0 HB2 ALA A 54 42.976 -26.354 4.765 1.00 10.00 H new ATOM 0 HB3 ALA A 54 43.680 -26.353 6.399 1.00 10.00 H new ATOM 805 N ASN A 55 45.177 -24.055 7.381 1.00 10.00 N ATOM 806 CA ASN A 55 45.556 -23.364 8.603 1.00 10.00 C ATOM 807 C ASN A 55 46.209 -22.018 8.290 1.00 10.00 C ATOM 808 O ASN A 55 45.745 -20.975 8.743 1.00 10.00 O ATOM 809 CB ASN A 55 46.504 -24.290 9.378 1.00 10.00 C ATOM 810 CG ASN A 55 47.124 -23.690 10.611 1.00 10.00 C ATOM 811 OD1 ASN A 55 46.457 -23.308 11.559 1.00 10.00 O ATOM 812 ND2 ASN A 55 48.434 -23.632 10.626 1.00 10.00 N ATOM 0 H ASN A 55 45.712 -24.911 7.234 1.00 10.00 H new ATOM 0 HA ASN A 55 44.677 -23.142 9.209 1.00 10.00 H new ATOM 0 HB2 ASN A 55 45.954 -25.186 9.667 1.00 10.00 H new ATOM 0 HB3 ASN A 55 47.303 -24.608 8.708 1.00 10.00 H new ATOM 0 HD21 ASN A 55 48.919 -23.261 11.443 1.00 10.00 H new ATOM 0 HD22 ASN A 55 48.968 -23.958 9.820 1.00 10.00 H new ATOM 819 N TYR A 56 47.244 -22.038 7.451 1.00 10.00 N ATOM 820 CA TYR A 56 47.867 -20.825 6.907 1.00 10.00 C ATOM 821 C TYR A 56 46.873 -19.911 6.199 1.00 10.00 C ATOM 822 O TYR A 56 46.864 -18.726 6.499 1.00 10.00 O ATOM 823 CB TYR A 56 49.065 -21.242 6.041 1.00 10.00 C ATOM 824 CG TYR A 56 49.737 -20.224 5.143 1.00 10.00 C ATOM 825 CD1 TYR A 56 49.285 -20.054 3.819 1.00 10.00 C ATOM 826 CD2 TYR A 56 50.928 -19.599 5.566 1.00 10.00 C ATOM 827 CE1 TYR A 56 50.043 -19.297 2.905 1.00 10.00 C ATOM 828 CE2 TYR A 56 51.688 -18.846 4.653 1.00 10.00 C ATOM 829 CZ TYR A 56 51.261 -18.712 3.314 1.00 10.00 C ATOM 830 OH TYR A 56 52.022 -18.007 2.430 1.00 10.00 O ATOM 0 H TYR A 56 47.679 -22.901 7.125 1.00 10.00 H new ATOM 0 HA TYR A 56 48.235 -20.206 7.725 1.00 10.00 H new ATOM 0 HB2 TYR A 56 49.828 -21.638 6.711 1.00 10.00 H new ATOM 0 HB3 TYR A 56 48.737 -22.067 5.408 1.00 10.00 H new ATOM 0 HD1 TYR A 56 48.355 -20.505 3.505 1.00 10.00 H new ATOM 0 HD2 TYR A 56 51.256 -19.698 6.590 1.00 10.00 H new ATOM 0 HE1 TYR A 56 49.693 -19.164 1.892 1.00 10.00 H new ATOM 0 HE2 TYR A 56 52.601 -18.369 4.977 1.00 10.00 H new ATOM 0 HH TYR A 56 52.825 -17.674 2.882 1.00 10.00 H new ATOM 840 N GLN A 57 45.963 -20.424 5.376 1.00 10.00 N ATOM 841 CA GLN A 57 44.929 -19.596 4.742 1.00 10.00 C ATOM 842 C GLN A 57 43.969 -18.976 5.772 1.00 10.00 C ATOM 843 O GLN A 57 43.669 -17.787 5.687 1.00 10.00 O ATOM 844 CB GLN A 57 44.148 -20.400 3.689 1.00 10.00 C ATOM 845 CG GLN A 57 44.939 -20.628 2.388 1.00 10.00 C ATOM 846 CD GLN A 57 45.082 -19.357 1.555 1.00 10.00 C ATOM 847 OE1 GLN A 57 46.063 -18.629 1.638 1.00 10.00 O ATOM 848 NE2 GLN A 57 44.117 -19.034 0.718 1.00 10.00 N ATOM 0 H GLN A 57 45.917 -21.412 5.129 1.00 10.00 H new ATOM 0 HA GLN A 57 45.443 -18.775 4.242 1.00 10.00 H new ATOM 0 HB2 GLN A 57 43.871 -21.366 4.111 1.00 10.00 H new ATOM 0 HB3 GLN A 57 43.221 -19.876 3.456 1.00 10.00 H new ATOM 0 HG2 GLN A 57 45.930 -21.011 2.632 1.00 10.00 H new ATOM 0 HG3 GLN A 57 44.440 -21.393 1.793 1.00 10.00 H new ATOM 0 HE21 GLN A 57 43.293 -19.629 0.636 1.00 10.00 H new ATOM 0 HE22 GLN A 57 44.194 -18.189 0.152 1.00 10.00 H new ATOM 857 N MET A 58 43.527 -19.742 6.775 1.00 10.00 N ATOM 858 CA MET A 58 42.629 -19.274 7.837 1.00 10.00 C ATOM 859 C MET A 58 43.273 -18.192 8.707 1.00 10.00 C ATOM 860 O MET A 58 42.682 -17.134 8.935 1.00 10.00 O ATOM 861 CB MET A 58 42.201 -20.483 8.678 1.00 10.00 C ATOM 862 CG MET A 58 41.289 -20.136 9.861 1.00 10.00 C ATOM 863 SD MET A 58 40.839 -21.552 10.906 1.00 10.00 S ATOM 864 CE MET A 58 42.433 -21.896 11.708 1.00 10.00 C ATOM 0 H MET A 58 43.788 -20.723 6.874 1.00 10.00 H new ATOM 0 HA MET A 58 41.755 -18.810 7.381 1.00 10.00 H new ATOM 0 HB2 MET A 58 41.686 -21.195 8.034 1.00 10.00 H new ATOM 0 HB3 MET A 58 43.093 -20.982 9.056 1.00 10.00 H new ATOM 0 HG2 MET A 58 41.786 -19.388 10.479 1.00 10.00 H new ATOM 0 HG3 MET A 58 40.377 -19.679 9.478 1.00 10.00 H new ATOM 0 HE1 MET A 58 42.288 -22.620 12.510 1.00 10.00 H new ATOM 0 HE2 MET A 58 43.129 -22.302 10.974 1.00 10.00 H new ATOM 0 HE3 MET A 58 42.839 -20.973 12.122 1.00 10.00 H new ATOM 874 N ILE A 59 44.503 -18.426 9.164 1.00 10.00 N ATOM 875 CA ILE A 59 45.257 -17.484 9.971 1.00 10.00 C ATOM 876 C ILE A 59 45.645 -16.263 9.134 1.00 10.00 C ATOM 877 O ILE A 59 45.616 -15.150 9.645 1.00 10.00 O ATOM 878 CB ILE A 59 46.469 -18.217 10.574 1.00 10.00 C ATOM 879 CG1 ILE A 59 46.022 -19.326 11.556 1.00 10.00 C ATOM 880 CG2 ILE A 59 47.377 -17.254 11.335 1.00 10.00 C ATOM 881 CD1 ILE A 59 47.193 -20.188 12.028 1.00 10.00 C ATOM 0 H ILE A 59 45.007 -19.293 8.977 1.00 10.00 H new ATOM 0 HA ILE A 59 44.653 -17.105 10.795 1.00 10.00 H new ATOM 0 HB ILE A 59 47.012 -18.657 9.738 1.00 10.00 H new ATOM 0 HG12 ILE A 59 45.538 -18.870 12.420 1.00 10.00 H new ATOM 0 HG13 ILE A 59 45.279 -19.960 11.072 1.00 10.00 H new ATOM 0 HG21 ILE A 59 48.223 -17.802 11.749 1.00 10.00 H new ATOM 0 HG22 ILE A 59 47.741 -16.483 10.655 1.00 10.00 H new ATOM 0 HG23 ILE A 59 46.816 -16.788 12.145 1.00 10.00 H new ATOM 0 HD11 ILE A 59 46.829 -20.952 12.715 1.00 10.00 H new ATOM 0 HD12 ILE A 59 47.662 -20.667 11.168 1.00 10.00 H new ATOM 0 HD13 ILE A 59 47.924 -19.561 12.537 1.00 10.00 H new ATOM 893 N MET A 60 45.951 -16.432 7.845 1.00 10.00 N ATOM 894 CA MET A 60 46.271 -15.314 6.957 1.00 10.00 C ATOM 895 C MET A 60 45.060 -14.428 6.663 1.00 10.00 C ATOM 896 O MET A 60 45.195 -13.208 6.621 1.00 10.00 O ATOM 897 CB MET A 60 46.917 -15.806 5.663 1.00 10.00 C ATOM 898 CG MET A 60 47.692 -14.663 5.014 1.00 10.00 C ATOM 899 SD MET A 60 48.732 -15.163 3.622 1.00 10.00 S ATOM 900 CE MET A 60 50.026 -15.979 4.590 1.00 10.00 C ATOM 0 H MET A 60 45.984 -17.344 7.390 1.00 10.00 H new ATOM 0 HA MET A 60 46.992 -14.692 7.488 1.00 10.00 H new ATOM 0 HB2 MET A 60 47.586 -16.640 5.873 1.00 10.00 H new ATOM 0 HB3 MET A 60 46.152 -16.175 4.980 1.00 10.00 H new ATOM 0 HG2 MET A 60 46.984 -13.909 4.671 1.00 10.00 H new ATOM 0 HG3 MET A 60 48.320 -14.190 5.770 1.00 10.00 H new ATOM 0 HE1 MET A 60 50.912 -16.118 3.970 1.00 10.00 H new ATOM 0 HE2 MET A 60 50.280 -15.362 5.452 1.00 10.00 H new ATOM 0 HE3 MET A 60 49.667 -16.950 4.932 1.00 10.00 H new ATOM 910 N SER A 61 43.873 -15.023 6.531 1.00 10.00 N ATOM 911 CA SER A 61 42.600 -14.295 6.465 1.00 10.00 C ATOM 912 C SER A 61 42.404 -13.408 7.701 1.00 10.00 C ATOM 913 O SER A 61 42.060 -12.235 7.561 1.00 10.00 O ATOM 914 CB SER A 61 41.425 -15.271 6.303 1.00 10.00 C ATOM 915 OG SER A 61 41.326 -15.685 4.948 1.00 10.00 O ATOM 0 H SER A 61 43.765 -16.035 6.466 1.00 10.00 H new ATOM 0 HA SER A 61 42.630 -13.646 5.590 1.00 10.00 H new ATOM 0 HB2 SER A 61 41.569 -16.138 6.948 1.00 10.00 H new ATOM 0 HB3 SER A 61 40.497 -14.792 6.615 1.00 10.00 H new ATOM 0 HG SER A 61 41.960 -16.414 4.782 1.00 10.00 H new ATOM 921 N GLU A 62 42.700 -13.915 8.903 1.00 10.00 N ATOM 922 CA GLU A 62 42.669 -13.118 10.140 1.00 10.00 C ATOM 923 C GLU A 62 43.787 -12.067 10.220 1.00 10.00 C ATOM 924 O GLU A 62 43.526 -10.912 10.560 1.00 10.00 O ATOM 925 CB GLU A 62 42.710 -14.039 11.373 1.00 10.00 C ATOM 926 CG GLU A 62 41.411 -14.839 11.531 1.00 10.00 C ATOM 927 CD GLU A 62 41.396 -15.615 12.862 1.00 10.00 C ATOM 928 OE1 GLU A 62 41.922 -16.753 12.918 1.00 10.00 O ATOM 929 OE2 GLU A 62 40.845 -15.094 13.863 1.00 10.00 O ATOM 0 H GLU A 62 42.968 -14.888 9.048 1.00 10.00 H new ATOM 0 HA GLU A 62 41.729 -12.566 10.125 1.00 10.00 H new ATOM 0 HB2 GLU A 62 43.552 -14.726 11.285 1.00 10.00 H new ATOM 0 HB3 GLU A 62 42.879 -13.440 12.268 1.00 10.00 H new ATOM 0 HG2 GLU A 62 40.557 -14.163 11.491 1.00 10.00 H new ATOM 0 HG3 GLU A 62 41.306 -15.535 10.699 1.00 10.00 H new ATOM 936 N TYR A 63 45.017 -12.438 9.861 1.00 10.00 N ATOM 937 CA TYR A 63 46.190 -11.556 9.856 1.00 10.00 C ATOM 938 C TYR A 63 45.998 -10.342 8.943 1.00 10.00 C ATOM 939 O TYR A 63 46.216 -9.197 9.346 1.00 10.00 O ATOM 940 CB TYR A 63 47.416 -12.375 9.422 1.00 10.00 C ATOM 941 CG TYR A 63 48.672 -11.572 9.163 1.00 10.00 C ATOM 942 CD1 TYR A 63 49.443 -11.074 10.232 1.00 10.00 C ATOM 943 CD2 TYR A 63 49.095 -11.372 7.834 1.00 10.00 C ATOM 944 CE1 TYR A 63 50.650 -10.401 9.968 1.00 10.00 C ATOM 945 CE2 TYR A 63 50.309 -10.715 7.568 1.00 10.00 C ATOM 946 CZ TYR A 63 51.098 -10.239 8.639 1.00 10.00 C ATOM 947 OH TYR A 63 52.275 -9.599 8.405 1.00 10.00 O ATOM 0 H TYR A 63 45.233 -13.387 9.557 1.00 10.00 H new ATOM 0 HA TYR A 63 46.336 -11.164 10.863 1.00 10.00 H new ATOM 0 HB2 TYR A 63 47.630 -13.114 10.194 1.00 10.00 H new ATOM 0 HB3 TYR A 63 47.163 -12.925 8.515 1.00 10.00 H new ATOM 0 HD1 TYR A 63 49.109 -11.208 11.250 1.00 10.00 H new ATOM 0 HD2 TYR A 63 48.484 -11.725 7.016 1.00 10.00 H new ATOM 0 HE1 TYR A 63 51.236 -10.007 10.785 1.00 10.00 H new ATOM 0 HE2 TYR A 63 50.637 -10.575 6.549 1.00 10.00 H new ATOM 0 HH TYR A 63 52.445 -9.569 7.440 1.00 10.00 H new ATOM 957 N ASN A 64 45.543 -10.596 7.717 1.00 10.00 N ATOM 958 CA ASN A 64 45.347 -9.565 6.706 1.00 10.00 C ATOM 959 C ASN A 64 44.175 -8.641 7.075 1.00 10.00 C ATOM 960 O ASN A 64 44.266 -7.421 6.924 1.00 10.00 O ATOM 961 CB ASN A 64 45.126 -10.250 5.347 1.00 10.00 C ATOM 962 CG ASN A 64 44.977 -9.250 4.209 1.00 10.00 C ATOM 963 OD1 ASN A 64 45.761 -8.324 4.054 1.00 10.00 O ATOM 964 ND2 ASN A 64 43.965 -9.393 3.384 1.00 10.00 N ATOM 0 H ASN A 64 45.298 -11.533 7.397 1.00 10.00 H new ATOM 0 HA ASN A 64 46.232 -8.932 6.649 1.00 10.00 H new ATOM 0 HB2 ASN A 64 45.965 -10.913 5.137 1.00 10.00 H new ATOM 0 HB3 ASN A 64 44.233 -10.873 5.398 1.00 10.00 H new ATOM 0 HD21 ASN A 64 43.835 -8.733 2.617 1.00 10.00 H new ATOM 0 HD22 ASN A 64 43.309 -10.164 3.510 1.00 10.00 H new ATOM 1108 N VAL A 74 42.918 4.473 11.709 1.00 10.00 N ATOM 1109 CA VAL A 74 43.601 5.751 11.464 1.00 10.00 C ATOM 1110 C VAL A 74 42.770 6.707 10.582 1.00 10.00 C ATOM 1111 O VAL A 74 42.925 7.926 10.672 1.00 10.00 O ATOM 1112 CB VAL A 74 44.978 5.419 10.849 1.00 10.00 C ATOM 1113 CG1 VAL A 74 45.736 6.640 10.348 1.00 10.00 C ATOM 1114 CG2 VAL A 74 45.874 4.706 11.874 1.00 10.00 C ATOM 0 HA VAL A 74 43.731 6.294 12.400 1.00 10.00 H new ATOM 0 HB VAL A 74 44.758 4.777 9.996 1.00 10.00 H new ATOM 0 HG11 VAL A 74 46.693 6.328 9.930 1.00 10.00 H new ATOM 0 HG12 VAL A 74 45.150 7.141 9.578 1.00 10.00 H new ATOM 0 HG13 VAL A 74 45.909 7.326 11.177 1.00 10.00 H new ATOM 0 HG21 VAL A 74 46.839 4.481 11.420 1.00 10.00 H new ATOM 0 HG22 VAL A 74 46.022 5.352 12.740 1.00 10.00 H new ATOM 0 HG23 VAL A 74 45.397 3.778 12.191 1.00 10.00 H new ATOM 1124 N LYS A 75 41.831 6.172 9.787 1.00 10.00 N ATOM 1125 CA LYS A 75 40.898 6.906 8.910 1.00 10.00 C ATOM 1126 C LYS A 75 39.452 6.940 9.449 1.00 10.00 C ATOM 1127 O LYS A 75 38.571 7.498 8.794 1.00 10.00 O ATOM 1128 CB LYS A 75 40.950 6.282 7.499 1.00 10.00 C ATOM 1129 CG LYS A 75 42.347 6.265 6.843 1.00 10.00 C ATOM 1130 CD LYS A 75 43.006 7.643 6.668 1.00 10.00 C ATOM 1131 CE LYS A 75 42.162 8.578 5.791 1.00 10.00 C ATOM 1132 NZ LYS A 75 42.837 9.885 5.574 1.00 10.00 N ATOM 0 H LYS A 75 41.692 5.163 9.734 1.00 10.00 H new ATOM 0 HA LYS A 75 41.219 7.947 8.875 1.00 10.00 H new ATOM 0 HB2 LYS A 75 40.580 5.258 7.557 1.00 10.00 H new ATOM 0 HB3 LYS A 75 40.267 6.831 6.850 1.00 10.00 H new ATOM 0 HG2 LYS A 75 43.006 5.639 7.445 1.00 10.00 H new ATOM 0 HG3 LYS A 75 42.265 5.792 5.864 1.00 10.00 H new ATOM 0 HD2 LYS A 75 43.155 8.100 7.646 1.00 10.00 H new ATOM 0 HD3 LYS A 75 43.992 7.519 6.221 1.00 10.00 H new ATOM 0 HE2 LYS A 75 41.972 8.102 4.829 1.00 10.00 H new ATOM 0 HE3 LYS A 75 41.193 8.742 6.262 1.00 10.00 H new ATOM 0 HZ1 LYS A 75 42.238 10.490 4.977 1.00 10.00 H new ATOM 0 HZ2 LYS A 75 42.995 10.350 6.491 1.00 10.00 H new ATOM 0 HZ3 LYS A 75 43.751 9.730 5.102 1.00 10.00 H new ATOM 1146 N SER A 76 39.212 6.379 10.640 1.00 10.00 N ATOM 1147 CA SER A 76 37.879 6.181 11.251 1.00 10.00 C ATOM 1148 C SER A 76 37.822 6.571 12.738 1.00 10.00 C ATOM 1149 O SER A 76 36.838 6.280 13.418 1.00 10.00 O ATOM 1150 CB SER A 76 37.433 4.716 11.095 1.00 10.00 C ATOM 1151 OG SER A 76 37.535 4.269 9.753 1.00 10.00 O ATOM 0 H SER A 76 39.967 6.035 11.233 1.00 10.00 H new ATOM 0 HA SER A 76 37.201 6.847 10.717 1.00 10.00 H new ATOM 0 HB2 SER A 76 38.044 4.081 11.736 1.00 10.00 H new ATOM 0 HB3 SER A 76 36.402 4.613 11.434 1.00 10.00 H new ATOM 0 HG SER A 76 37.245 3.335 9.696 1.00 10.00 H new ATOM 1157 N MET A 77 38.866 7.223 13.260 1.00 10.00 N ATOM 1158 CA MET A 77 39.069 7.515 14.688 1.00 10.00 C ATOM 1159 C MET A 77 37.849 8.159 15.371 1.00 10.00 C ATOM 1160 O MET A 77 37.450 7.718 16.450 1.00 10.00 O ATOM 1161 CB MET A 77 40.346 8.369 14.819 1.00 10.00 C ATOM 1162 CG MET A 77 40.677 8.811 16.251 1.00 10.00 C ATOM 1163 SD MET A 77 39.799 10.297 16.823 1.00 10.00 S ATOM 1164 CE MET A 77 40.426 10.389 18.520 1.00 10.00 C ATOM 0 H MET A 77 39.625 7.577 12.678 1.00 10.00 H new ATOM 0 HA MET A 77 39.193 6.575 15.225 1.00 10.00 H new ATOM 0 HB2 MET A 77 41.189 7.801 14.424 1.00 10.00 H new ATOM 0 HB3 MET A 77 40.239 9.256 14.195 1.00 10.00 H new ATOM 0 HG2 MET A 77 40.449 7.989 16.930 1.00 10.00 H new ATOM 0 HG3 MET A 77 41.750 8.993 16.320 1.00 10.00 H new ATOM 0 HE1 MET A 77 39.988 11.250 19.024 1.00 10.00 H new ATOM 0 HE2 MET A 77 40.157 9.479 19.057 1.00 10.00 H new ATOM 0 HE3 MET A 77 41.511 10.493 18.502 1.00 10.00 H new ATOM 1174 N LYS A 78 37.212 9.150 14.734 1.00 10.00 N ATOM 1175 CA LYS A 78 36.034 9.853 15.279 1.00 10.00 C ATOM 1176 C LYS A 78 34.777 8.975 15.351 1.00 10.00 C ATOM 1177 O LYS A 78 33.984 9.112 16.282 1.00 10.00 O ATOM 1178 CB LYS A 78 35.765 11.130 14.463 1.00 10.00 C ATOM 1179 CG LYS A 78 36.888 12.165 14.640 1.00 10.00 C ATOM 1180 CD LYS A 78 36.612 13.435 13.825 1.00 10.00 C ATOM 1181 CE LYS A 78 37.741 14.451 14.040 1.00 10.00 C ATOM 1182 NZ LYS A 78 37.532 15.680 13.230 1.00 10.00 N ATOM 0 H LYS A 78 37.499 9.493 13.817 1.00 10.00 H new ATOM 0 HA LYS A 78 36.271 10.117 16.310 1.00 10.00 H new ATOM 0 HB2 LYS A 78 35.669 10.874 13.408 1.00 10.00 H new ATOM 0 HB3 LYS A 78 34.816 11.567 14.773 1.00 10.00 H new ATOM 0 HG2 LYS A 78 36.985 12.422 15.695 1.00 10.00 H new ATOM 0 HG3 LYS A 78 37.838 11.730 14.329 1.00 10.00 H new ATOM 0 HD2 LYS A 78 36.531 13.187 12.767 1.00 10.00 H new ATOM 0 HD3 LYS A 78 35.658 13.870 14.125 1.00 10.00 H new ATOM 0 HE2 LYS A 78 37.797 14.716 15.096 1.00 10.00 H new ATOM 0 HE3 LYS A 78 38.696 13.997 13.774 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 38.314 16.345 13.400 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 37.503 15.430 12.221 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 36.633 16.126 13.502 1.00 10.00 H new ATOM 1196 N ASP A 79 34.606 8.044 14.413 1.00 10.00 N ATOM 1197 CA ASP A 79 33.512 7.061 14.431 1.00 10.00 C ATOM 1198 C ASP A 79 33.733 5.977 15.504 1.00 10.00 C ATOM 1199 O ASP A 79 32.788 5.577 16.188 1.00 10.00 O ATOM 1200 CB ASP A 79 33.376 6.437 13.035 1.00 10.00 C ATOM 1201 CG ASP A 79 32.157 5.503 12.940 1.00 10.00 C ATOM 1202 OD1 ASP A 79 31.009 6.009 12.921 1.00 10.00 O ATOM 1203 OD2 ASP A 79 32.344 4.266 12.852 1.00 10.00 O ATOM 0 H ASP A 79 35.227 7.946 13.609 1.00 10.00 H new ATOM 0 HA ASP A 79 32.586 7.573 14.692 1.00 10.00 H new ATOM 0 HB2 ASP A 79 33.286 7.228 12.291 1.00 10.00 H new ATOM 0 HB3 ASP A 79 34.281 5.878 12.798 1.00 10.00 H new ATOM 1208 N ILE A 80 34.986 5.553 15.708 1.00 10.00 N ATOM 1209 CA ILE A 80 35.382 4.643 16.797 1.00 10.00 C ATOM 1210 C ILE A 80 35.172 5.309 18.164 1.00 10.00 C ATOM 1211 O ILE A 80 34.594 4.703 19.065 1.00 10.00 O ATOM 1212 CB ILE A 80 36.842 4.166 16.606 1.00 10.00 C ATOM 1213 CG1 ILE A 80 36.958 3.331 15.307 1.00 10.00 C ATOM 1214 CG2 ILE A 80 37.322 3.329 17.810 1.00 10.00 C ATOM 1215 CD1 ILE A 80 38.398 3.062 14.854 1.00 10.00 C ATOM 0 H ILE A 80 35.766 5.835 15.115 1.00 10.00 H new ATOM 0 HA ILE A 80 34.743 3.760 16.764 1.00 10.00 H new ATOM 0 HB ILE A 80 37.478 5.048 16.532 1.00 10.00 H new ATOM 0 HG12 ILE A 80 36.453 2.377 15.456 1.00 10.00 H new ATOM 0 HG13 ILE A 80 36.429 3.850 14.507 1.00 10.00 H new ATOM 0 HG21 ILE A 80 38.351 3.010 17.644 1.00 10.00 H new ATOM 0 HG22 ILE A 80 37.271 3.933 18.716 1.00 10.00 H new ATOM 0 HG23 ILE A 80 36.684 2.453 17.922 1.00 10.00 H new ATOM 0 HD11 ILE A 80 38.387 2.472 13.938 1.00 10.00 H new ATOM 0 HD12 ILE A 80 38.904 4.009 14.669 1.00 10.00 H new ATOM 0 HD13 ILE A 80 38.928 2.513 15.633 1.00 10.00 H new ATOM 1227 N ASP A 81 35.571 6.574 18.307 1.00 10.00 N ATOM 1228 CA ASP A 81 35.347 7.382 19.512 1.00 10.00 C ATOM 1229 C ASP A 81 33.849 7.538 19.840 1.00 10.00 C ATOM 1230 O ASP A 81 33.436 7.394 20.993 1.00 10.00 O ATOM 1231 CB ASP A 81 36.031 8.745 19.340 1.00 10.00 C ATOM 1232 CG ASP A 81 35.868 9.638 20.582 1.00 10.00 C ATOM 1233 OD1 ASP A 81 36.656 9.484 21.545 1.00 10.00 O ATOM 1234 OD2 ASP A 81 34.967 10.511 20.590 1.00 10.00 O ATOM 0 H ASP A 81 36.070 7.078 17.574 1.00 10.00 H new ATOM 0 HA ASP A 81 35.788 6.863 20.363 1.00 10.00 H new ATOM 0 HB2 ASP A 81 37.092 8.594 19.140 1.00 10.00 H new ATOM 0 HB3 ASP A 81 35.611 9.253 18.472 1.00 10.00 H new ATOM 1239 N SER A 82 33.021 7.724 18.807 1.00 10.00 N ATOM 1240 CA SER A 82 31.549 7.727 18.887 1.00 10.00 C ATOM 1241 C SER A 82 30.927 6.353 19.216 1.00 10.00 C ATOM 1242 O SER A 82 29.714 6.264 19.420 1.00 10.00 O ATOM 1243 CB SER A 82 30.942 8.253 17.578 1.00 10.00 C ATOM 1244 OG SER A 82 31.368 9.580 17.305 1.00 10.00 O ATOM 0 H SER A 82 33.364 7.882 17.859 1.00 10.00 H new ATOM 0 HA SER A 82 31.308 8.387 19.720 1.00 10.00 H new ATOM 0 HB2 SER A 82 31.230 7.600 16.754 1.00 10.00 H new ATOM 0 HB3 SER A 82 29.854 8.225 17.642 1.00 10.00 H new ATOM 0 HG SER A 82 32.271 9.562 16.925 1.00 10.00 H new ATOM 1250 N SER A 83 31.738 5.291 19.304 1.00 10.00 N ATOM 1251 CA SER A 83 31.324 3.893 19.529 1.00 10.00 C ATOM 1252 C SER A 83 31.947 3.269 20.792 1.00 10.00 C ATOM 1253 O SER A 83 31.826 2.063 21.013 1.00 10.00 O ATOM 1254 CB SER A 83 31.646 3.040 18.291 1.00 10.00 C ATOM 1255 OG SER A 83 31.032 3.561 17.123 1.00 10.00 O ATOM 0 H SER A 83 32.750 5.384 19.217 1.00 10.00 H new ATOM 0 HA SER A 83 30.247 3.908 19.695 1.00 10.00 H new ATOM 0 HB2 SER A 83 32.726 2.999 18.148 1.00 10.00 H new ATOM 0 HB3 SER A 83 31.307 2.017 18.455 1.00 10.00 H new ATOM 0 HG SER A 83 31.593 4.271 16.747 1.00 10.00 H new