USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 557 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 Single : A 40 THR OG1 : rot 180:sc= -0.0704 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0371 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.687 K(o=-0.69,f=-5!) USER MOD Single : A 52 LYS NZ :NH3+ 167:sc= -0.0447 (180deg=-0.231) USER MOD Single : A 54 THR OG1 : rot -44:sc= 0.531 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -88:sc= 0.906 USER MOD Single : A 61 GLN : amide:sc= -0.123 K(o=-0.12,f=-2.7!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -171:sc= 0.886 (180deg=0.835) USER MOD Single : A 73 LYS NZ :NH3+ -147:sc= 1.57 (180deg=-0.157) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -162:sc= 0.259 (180deg=-0.498) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 8:sc= 1.08 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -74:sc= 1.2 USER MOD Single : A 111 ASN : amide:sc= -0.0807 X(o=-0.081,f=0) USER MOD ----------------------------------------------------------------- ATOM 557 N ARG A 38 -6.767 -12.271 -22.508 1.00 2.14 N ATOM 558 CA ARG A 38 -6.352 -11.066 -21.795 1.00 45.54 C ATOM 559 C ARG A 38 -5.701 -11.464 -20.483 1.00 2.05 C ATOM 560 O ARG A 38 -5.502 -12.651 -20.228 1.00 21.04 O ATOM 561 CB ARG A 38 -7.561 -10.152 -21.519 1.00 41.41 C ATOM 562 CG ARG A 38 -8.236 -9.612 -22.776 1.00 14.00 C ATOM 563 CD ARG A 38 -7.261 -8.815 -23.636 1.00 71.31 C ATOM 564 NE ARG A 38 -7.889 -8.322 -24.863 1.00 2.14 N ATOM 565 CZ ARG A 38 -7.461 -8.604 -26.095 1.00 52.02 C ATOM 566 NH1 ARG A 38 -6.454 -9.453 -26.277 1.00 34.34 N ATOM 567 NH2 ARG A 38 -8.067 -8.066 -27.144 1.00 41.24 N ATOM 0 HA ARG A 38 -5.641 -10.517 -22.412 1.00 45.54 H new ATOM 0 HB2 ARG A 38 -8.296 -10.706 -20.935 1.00 41.41 H new ATOM 0 HB3 ARG A 38 -7.235 -9.312 -20.906 1.00 41.41 H new ATOM 0 HG2 ARG A 38 -8.642 -10.440 -23.357 1.00 14.00 H new ATOM 0 HG3 ARG A 38 -9.077 -8.978 -22.495 1.00 14.00 H new ATOM 0 HD2 ARG A 38 -6.876 -7.972 -23.062 1.00 71.31 H new ATOM 0 HD3 ARG A 38 -6.407 -9.442 -23.892 1.00 71.31 H new ATOM 0 HE ARG A 38 -8.709 -7.723 -24.770 1.00 2.14 H new ATOM 0 HH11 ARG A 38 -6.005 -9.892 -25.473 1.00 34.34 H new ATOM 0 HH12 ARG A 38 -6.130 -9.665 -27.221 1.00 34.34 H new ATOM 0 HH21 ARG A 38 -8.859 -7.438 -27.009 1.00 41.24 H new ATOM 0 HH22 ARG A 38 -7.741 -8.280 -28.087 1.00 41.24 H new ATOM 581 N ARG A 39 -5.364 -10.482 -19.654 1.00 13.43 N ATOM 582 CA ARG A 39 -4.851 -10.770 -18.321 1.00 31.22 C ATOM 583 C ARG A 39 -6.000 -11.194 -17.419 1.00 12.54 C ATOM 584 O ARG A 39 -5.837 -12.015 -16.525 1.00 64.51 O ATOM 585 CB ARG A 39 -4.140 -9.551 -17.715 1.00 71.22 C ATOM 586 CG ARG A 39 -2.999 -9.000 -18.562 1.00 25.23 C ATOM 587 CD ARG A 39 -2.182 -7.969 -17.789 1.00 12.21 C ATOM 588 NE ARG A 39 -3.030 -6.954 -17.149 1.00 64.14 N ATOM 589 CZ ARG A 39 -2.798 -6.447 -15.934 1.00 40.21 C ATOM 590 NH1 ARG A 39 -1.747 -6.853 -15.234 1.00 72.51 N ATOM 591 NH2 ARG A 39 -3.617 -5.537 -15.421 1.00 72.23 N ATOM 0 H ARG A 39 -5.436 -9.490 -19.879 1.00 13.43 H new ATOM 0 HA ARG A 39 -4.122 -11.576 -18.403 1.00 31.22 H new ATOM 0 HB2 ARG A 39 -4.873 -8.760 -17.557 1.00 71.22 H new ATOM 0 HB3 ARG A 39 -3.749 -9.824 -16.735 1.00 71.22 H new ATOM 0 HG2 ARG A 39 -2.351 -9.817 -18.879 1.00 25.23 H new ATOM 0 HG3 ARG A 39 -3.402 -8.544 -19.466 1.00 25.23 H new ATOM 0 HD2 ARG A 39 -1.588 -8.475 -17.028 1.00 12.21 H new ATOM 0 HD3 ARG A 39 -1.482 -7.480 -18.467 1.00 12.21 H new ATOM 0 HE ARG A 39 -3.844 -6.616 -17.662 1.00 64.14 H new ATOM 0 HH11 ARG A 39 -1.115 -7.553 -15.623 1.00 72.51 H new ATOM 0 HH12 ARG A 39 -1.571 -6.465 -14.307 1.00 72.51 H new ATOM 0 HH21 ARG A 39 -4.427 -5.222 -15.954 1.00 72.23 H new ATOM 0 HH22 ARG A 39 -3.436 -5.153 -14.494 1.00 72.23 H new ATOM 605 N THR A 40 -7.169 -10.627 -17.678 1.00 21.32 N ATOM 606 CA THR A 40 -8.353 -10.904 -16.874 1.00 31.44 C ATOM 607 C THR A 40 -8.988 -12.222 -17.273 1.00 32.23 C ATOM 608 O THR A 40 -8.870 -12.676 -18.414 1.00 70.14 O ATOM 609 CB THR A 40 -9.403 -9.774 -16.966 1.00 25.32 C ATOM 610 OG1 THR A 40 -10.605 -10.132 -16.263 1.00 2.42 O ATOM 611 CG2 THR A 40 -9.736 -9.435 -18.416 1.00 5.33 C ATOM 0 H THR A 40 -7.325 -9.969 -18.442 1.00 21.32 H new ATOM 0 HA THR A 40 -8.015 -10.966 -15.840 1.00 31.44 H new ATOM 0 HB THR A 40 -8.967 -8.891 -16.498 1.00 25.32 H new ATOM 0 HG1 THR A 40 -11.255 -9.402 -16.333 1.00 2.42 H new ATOM 0 HG21 THR A 40 -10.478 -8.637 -18.442 1.00 5.33 H new ATOM 0 HG22 THR A 40 -8.832 -9.108 -18.930 1.00 5.33 H new ATOM 0 HG23 THR A 40 -10.137 -10.318 -18.913 1.00 5.33 H new ATOM 619 N LEU A 41 -9.687 -12.807 -16.322 1.00 51.33 N ATOM 620 CA LEU A 41 -10.284 -14.124 -16.495 1.00 34.14 C ATOM 621 C LEU A 41 -11.780 -14.005 -16.748 1.00 43.22 C ATOM 622 O LEU A 41 -12.554 -13.742 -15.825 1.00 22.33 O ATOM 623 CB LEU A 41 -10.035 -15.012 -15.262 1.00 61.14 C ATOM 624 CG LEU A 41 -8.686 -15.750 -15.223 1.00 40.42 C ATOM 625 CD1 LEU A 41 -7.518 -14.769 -15.250 1.00 4.32 C ATOM 626 CD2 LEU A 41 -8.614 -16.656 -13.993 1.00 50.44 C ATOM 0 H LEU A 41 -9.859 -12.388 -15.408 1.00 51.33 H new ATOM 0 HA LEU A 41 -9.812 -14.590 -17.360 1.00 34.14 H new ATOM 0 HB2 LEU A 41 -10.112 -14.390 -14.370 1.00 61.14 H new ATOM 0 HB3 LEU A 41 -10.833 -15.752 -15.205 1.00 61.14 H new ATOM 0 HG LEU A 41 -8.611 -16.372 -16.115 1.00 40.42 H new ATOM 0 HD11 LEU A 41 -6.579 -15.321 -15.221 1.00 4.32 H new ATOM 0 HD12 LEU A 41 -7.562 -14.175 -16.163 1.00 4.32 H new ATOM 0 HD13 LEU A 41 -7.577 -14.109 -14.385 1.00 4.32 H new ATOM 0 HD21 LEU A 41 -7.654 -17.173 -13.977 1.00 50.44 H new ATOM 0 HD22 LEU A 41 -8.716 -16.053 -13.091 1.00 50.44 H new ATOM 0 HD23 LEU A 41 -9.420 -17.389 -14.033 1.00 50.44 H new ATOM 638 N THR A 42 -12.178 -14.162 -18.007 1.00 31.45 N ATOM 639 CA THR A 42 -13.586 -14.279 -18.347 1.00 23.21 C ATOM 640 C THR A 42 -14.050 -15.701 -18.024 1.00 63.23 C ATOM 641 O THR A 42 -13.222 -16.563 -17.711 1.00 44.05 O ATOM 642 CB THR A 42 -13.852 -13.948 -19.838 1.00 20.41 C ATOM 643 OG1 THR A 42 -15.263 -13.910 -20.082 1.00 73.40 O ATOM 644 CG2 THR A 42 -13.199 -14.968 -20.768 1.00 34.51 C ATOM 0 H THR A 42 -11.544 -14.211 -18.805 1.00 31.45 H new ATOM 0 HA THR A 42 -14.149 -13.555 -17.758 1.00 23.21 H new ATOM 0 HB THR A 42 -13.412 -12.973 -20.046 1.00 20.41 H new ATOM 0 HG1 THR A 42 -15.426 -13.699 -21.025 1.00 73.40 H new ATOM 0 HG21 THR A 42 -13.408 -14.702 -21.804 1.00 34.51 H new ATOM 0 HG22 THR A 42 -12.121 -14.972 -20.605 1.00 34.51 H new ATOM 0 HG23 THR A 42 -13.601 -15.960 -20.560 1.00 34.51 H new ATOM 652 N GLU A 43 -15.352 -15.950 -18.108 1.00 15.15 N ATOM 653 CA GLU A 43 -15.919 -17.228 -17.683 1.00 71.31 C ATOM 654 C GLU A 43 -15.185 -18.404 -18.340 1.00 12.12 C ATOM 655 O GLU A 43 -14.878 -19.399 -17.683 1.00 32.21 O ATOM 656 CB GLU A 43 -17.417 -17.280 -18.002 1.00 43.41 C ATOM 657 CG GLU A 43 -18.156 -18.414 -17.300 1.00 4.44 C ATOM 658 CD GLU A 43 -18.001 -18.359 -15.786 1.00 44.01 C ATOM 659 OE1 GLU A 43 -18.527 -17.413 -15.160 1.00 43.34 O ATOM 660 OE2 GLU A 43 -17.352 -19.256 -15.208 1.00 20.13 O ATOM 0 H GLU A 43 -16.037 -15.284 -18.467 1.00 15.15 H new ATOM 0 HA GLU A 43 -15.790 -17.314 -16.604 1.00 71.31 H new ATOM 0 HB2 GLU A 43 -17.873 -16.331 -17.718 1.00 43.41 H new ATOM 0 HB3 GLU A 43 -17.546 -17.386 -19.079 1.00 43.41 H new ATOM 0 HG2 GLU A 43 -19.214 -18.367 -17.556 1.00 4.44 H new ATOM 0 HG3 GLU A 43 -17.781 -19.370 -17.666 1.00 4.44 H new ATOM 667 N GLU A 44 -14.869 -18.261 -19.628 1.00 24.15 N ATOM 668 CA GLU A 44 -14.177 -19.313 -20.378 1.00 42.15 C ATOM 669 C GLU A 44 -12.813 -19.600 -19.744 1.00 51.42 C ATOM 670 O GLU A 44 -12.439 -20.753 -19.509 1.00 31.32 O ATOM 671 CB GLU A 44 -14.004 -18.889 -21.849 1.00 42.11 C ATOM 672 CG GLU A 44 -15.323 -18.570 -22.549 1.00 54.42 C ATOM 673 CD GLU A 44 -15.149 -18.025 -23.961 1.00 75.51 C ATOM 674 OE1 GLU A 44 -14.844 -16.822 -24.100 1.00 13.55 O ATOM 675 OE2 GLU A 44 -15.330 -18.790 -24.932 1.00 0.14 O ATOM 0 H GLU A 44 -15.081 -17.427 -20.175 1.00 24.15 H new ATOM 0 HA GLU A 44 -14.777 -20.223 -20.345 1.00 42.15 H new ATOM 0 HB2 GLU A 44 -13.357 -18.013 -21.893 1.00 42.11 H new ATOM 0 HB3 GLU A 44 -13.497 -19.687 -22.392 1.00 42.11 H new ATOM 0 HG2 GLU A 44 -15.931 -19.474 -22.590 1.00 54.42 H new ATOM 0 HG3 GLU A 44 -15.874 -17.842 -21.953 1.00 54.42 H new ATOM 682 N GLN A 45 -12.094 -18.523 -19.438 1.00 31.04 N ATOM 683 CA GLN A 45 -10.765 -18.610 -18.844 1.00 14.15 C ATOM 684 C GLN A 45 -10.837 -19.251 -17.460 1.00 53.01 C ATOM 685 O GLN A 45 -9.992 -20.067 -17.110 1.00 14.13 O ATOM 686 CB GLN A 45 -10.152 -17.209 -18.745 1.00 51.21 C ATOM 687 CG GLN A 45 -10.005 -16.506 -20.090 1.00 30.54 C ATOM 688 CD GLN A 45 -8.857 -17.056 -20.920 1.00 41.25 C ATOM 689 OE1 GLN A 45 -7.730 -16.573 -20.833 1.00 64.40 O ATOM 690 NE2 GLN A 45 -9.128 -18.074 -21.721 1.00 1.34 N ATOM 0 H GLN A 45 -12.416 -17.568 -19.595 1.00 31.04 H new ATOM 0 HA GLN A 45 -10.136 -19.234 -19.479 1.00 14.15 H new ATOM 0 HB2 GLN A 45 -10.773 -16.596 -18.091 1.00 51.21 H new ATOM 0 HB3 GLN A 45 -9.171 -17.284 -18.275 1.00 51.21 H new ATOM 0 HG2 GLN A 45 -10.934 -16.607 -20.651 1.00 30.54 H new ATOM 0 HG3 GLN A 45 -9.848 -15.440 -19.923 1.00 30.54 H new ATOM 0 HE21 GLN A 45 -10.076 -18.449 -21.767 1.00 1.34 H new ATOM 0 HE22 GLN A 45 -8.389 -18.484 -22.292 1.00 1.34 H new ATOM 699 N VAL A 46 -11.869 -18.898 -16.693 1.00 64.44 N ATOM 700 CA VAL A 46 -12.017 -19.400 -15.327 1.00 2.55 C ATOM 701 C VAL A 46 -12.231 -20.906 -15.353 1.00 12.42 C ATOM 702 O VAL A 46 -11.568 -21.665 -14.632 1.00 73.15 O ATOM 703 CB VAL A 46 -13.203 -18.720 -14.593 1.00 31.43 C ATOM 704 CG1 VAL A 46 -13.374 -19.286 -13.184 1.00 64.04 C ATOM 705 CG2 VAL A 46 -13.014 -17.205 -14.543 1.00 15.10 C ATOM 0 H VAL A 46 -12.613 -18.268 -16.994 1.00 64.44 H new ATOM 0 HA VAL A 46 -11.103 -19.163 -14.783 1.00 2.55 H new ATOM 0 HB VAL A 46 -14.111 -18.934 -15.157 1.00 31.43 H new ATOM 0 HG11 VAL A 46 -14.212 -18.792 -12.693 1.00 64.04 H new ATOM 0 HG12 VAL A 46 -13.568 -20.357 -13.243 1.00 64.04 H new ATOM 0 HG13 VAL A 46 -12.464 -19.114 -12.610 1.00 64.04 H new ATOM 0 HG21 VAL A 46 -13.858 -16.750 -14.024 1.00 15.10 H new ATOM 0 HG22 VAL A 46 -12.092 -16.971 -14.011 1.00 15.10 H new ATOM 0 HG23 VAL A 46 -12.958 -16.812 -15.558 1.00 15.10 H new ATOM 715 N GLN A 47 -13.150 -21.328 -16.209 1.00 74.22 N ATOM 716 CA GLN A 47 -13.450 -22.741 -16.390 1.00 73.34 C ATOM 717 C GLN A 47 -12.216 -23.485 -16.889 1.00 25.01 C ATOM 718 O GLN A 47 -11.979 -24.630 -16.504 1.00 54.32 O ATOM 719 CB GLN A 47 -14.615 -22.899 -17.369 1.00 71.34 C ATOM 720 CG GLN A 47 -15.869 -22.136 -16.942 1.00 23.23 C ATOM 721 CD GLN A 47 -16.576 -22.754 -15.741 1.00 21.44 C ATOM 722 OE1 GLN A 47 -15.956 -23.377 -14.879 1.00 4.54 O ATOM 723 NE2 GLN A 47 -17.885 -22.571 -15.671 1.00 3.44 N ATOM 0 H GLN A 47 -13.706 -20.705 -16.795 1.00 74.22 H new ATOM 0 HA GLN A 47 -13.739 -23.172 -15.432 1.00 73.34 H new ATOM 0 HB2 GLN A 47 -14.303 -22.551 -18.354 1.00 71.34 H new ATOM 0 HB3 GLN A 47 -14.857 -23.957 -17.467 1.00 71.34 H new ATOM 0 HG2 GLN A 47 -15.596 -21.108 -16.704 1.00 23.23 H new ATOM 0 HG3 GLN A 47 -16.563 -22.095 -17.781 1.00 23.23 H new ATOM 0 HE21 GLN A 47 -18.367 -22.049 -16.403 1.00 3.44 H new ATOM 0 HE22 GLN A 47 -18.412 -22.951 -14.885 1.00 3.44 H new ATOM 732 N GLU A 48 -11.429 -22.825 -17.740 1.00 35.04 N ATOM 733 CA GLU A 48 -10.174 -23.386 -18.219 1.00 64.51 C ATOM 734 C GLU A 48 -9.203 -23.593 -17.052 1.00 55.04 C ATOM 735 O GLU A 48 -8.582 -24.655 -16.934 1.00 73.40 O ATOM 736 CB GLU A 48 -9.573 -22.479 -19.312 1.00 43.20 C ATOM 737 CG GLU A 48 -8.054 -22.363 -19.274 1.00 42.23 C ATOM 738 CD GLU A 48 -7.475 -21.788 -20.557 1.00 41.42 C ATOM 739 OE1 GLU A 48 -7.587 -20.566 -20.774 1.00 52.21 O ATOM 740 OE2 GLU A 48 -6.927 -22.566 -21.374 1.00 51.14 O ATOM 0 H GLU A 48 -11.643 -21.899 -18.110 1.00 35.04 H new ATOM 0 HA GLU A 48 -10.362 -24.363 -18.664 1.00 64.51 H new ATOM 0 HB2 GLU A 48 -9.871 -22.862 -20.288 1.00 43.20 H new ATOM 0 HB3 GLU A 48 -10.003 -21.482 -19.216 1.00 43.20 H new ATOM 0 HG2 GLU A 48 -7.763 -21.731 -18.435 1.00 42.23 H new ATOM 0 HG3 GLU A 48 -7.623 -23.348 -19.096 1.00 42.23 H new ATOM 747 N VAL A 49 -9.094 -22.586 -16.181 1.00 34.21 N ATOM 748 CA VAL A 49 -8.236 -22.680 -15.002 1.00 32.22 C ATOM 749 C VAL A 49 -8.605 -23.912 -14.190 1.00 34.13 C ATOM 750 O VAL A 49 -7.766 -24.762 -13.913 1.00 25.13 O ATOM 751 CB VAL A 49 -8.361 -21.435 -14.083 1.00 3.23 C ATOM 752 CG1 VAL A 49 -7.474 -21.586 -12.846 1.00 62.33 C ATOM 753 CG2 VAL A 49 -8.019 -20.157 -14.837 1.00 71.11 C ATOM 0 H VAL A 49 -9.589 -21.699 -16.272 1.00 34.21 H new ATOM 0 HA VAL A 49 -7.209 -22.743 -15.362 1.00 32.22 H new ATOM 0 HB VAL A 49 -9.398 -21.363 -13.757 1.00 3.23 H new ATOM 0 HG11 VAL A 49 -7.576 -20.703 -12.215 1.00 62.33 H new ATOM 0 HG12 VAL A 49 -7.779 -22.470 -12.285 1.00 62.33 H new ATOM 0 HG13 VAL A 49 -6.434 -21.693 -13.155 1.00 62.33 H new ATOM 0 HG21 VAL A 49 -8.116 -19.302 -14.167 1.00 71.11 H new ATOM 0 HG22 VAL A 49 -6.995 -20.215 -15.206 1.00 71.11 H new ATOM 0 HG23 VAL A 49 -8.701 -20.037 -15.679 1.00 71.11 H new ATOM 763 N VAL A 50 -9.880 -23.999 -13.837 1.00 60.22 N ATOM 764 CA VAL A 50 -10.390 -25.095 -13.021 1.00 11.40 C ATOM 765 C VAL A 50 -10.276 -26.433 -13.755 1.00 72.34 C ATOM 766 O VAL A 50 -10.047 -27.474 -13.135 1.00 53.42 O ATOM 767 CB VAL A 50 -11.857 -24.832 -12.605 1.00 41.25 C ATOM 768 CG1 VAL A 50 -12.311 -25.845 -11.560 1.00 15.52 C ATOM 769 CG2 VAL A 50 -12.008 -23.398 -12.093 1.00 15.52 C ATOM 0 H VAL A 50 -10.588 -23.316 -14.106 1.00 60.22 H new ATOM 0 HA VAL A 50 -9.778 -25.150 -12.121 1.00 11.40 H new ATOM 0 HB VAL A 50 -12.498 -24.951 -13.478 1.00 41.25 H new ATOM 0 HG11 VAL A 50 -13.345 -25.642 -11.282 1.00 15.52 H new ATOM 0 HG12 VAL A 50 -12.237 -26.851 -11.973 1.00 15.52 H new ATOM 0 HG13 VAL A 50 -11.676 -25.767 -10.678 1.00 15.52 H new ATOM 0 HG21 VAL A 50 -13.044 -23.222 -11.803 1.00 15.52 H new ATOM 0 HG22 VAL A 50 -11.359 -23.250 -11.230 1.00 15.52 H new ATOM 0 HG23 VAL A 50 -11.729 -22.699 -12.881 1.00 15.52 H new ATOM 779 N ALA A 51 -10.414 -26.394 -15.078 1.00 31.45 N ATOM 780 CA ALA A 51 -10.293 -27.596 -15.899 1.00 42.34 C ATOM 781 C ALA A 51 -8.897 -28.190 -15.770 1.00 31.41 C ATOM 782 O ALA A 51 -8.738 -29.396 -15.574 1.00 25.24 O ATOM 783 CB ALA A 51 -10.609 -27.282 -17.358 1.00 44.10 C ATOM 0 H ALA A 51 -10.610 -25.543 -15.605 1.00 31.45 H new ATOM 0 HA ALA A 51 -11.015 -28.331 -15.543 1.00 42.34 H new ATOM 0 HB1 ALA A 51 -10.514 -28.189 -17.954 1.00 44.10 H new ATOM 0 HB2 ALA A 51 -11.628 -26.902 -17.436 1.00 44.10 H new ATOM 0 HB3 ALA A 51 -9.912 -26.530 -17.728 1.00 44.10 H new ATOM 789 N LYS A 52 -7.884 -27.338 -15.878 1.00 53.45 N ATOM 790 CA LYS A 52 -6.502 -27.782 -15.737 1.00 42.14 C ATOM 791 C LYS A 52 -6.178 -28.028 -14.264 1.00 3.33 C ATOM 792 O LYS A 52 -5.401 -28.917 -13.915 1.00 33.40 O ATOM 793 CB LYS A 52 -5.543 -26.744 -16.337 1.00 40.33 C ATOM 794 CG LYS A 52 -5.806 -26.464 -17.817 1.00 30.34 C ATOM 795 CD LYS A 52 -4.784 -25.500 -18.419 1.00 44.14 C ATOM 796 CE LYS A 52 -3.368 -26.068 -18.370 1.00 31.32 C ATOM 797 NZ LYS A 52 -3.277 -27.403 -19.018 1.00 11.24 N ATOM 0 H LYS A 52 -7.992 -26.341 -16.062 1.00 53.45 H new ATOM 0 HA LYS A 52 -6.375 -28.718 -16.281 1.00 42.14 H new ATOM 0 HB2 LYS A 52 -5.629 -25.813 -15.777 1.00 40.33 H new ATOM 0 HB3 LYS A 52 -4.518 -27.094 -16.217 1.00 40.33 H new ATOM 0 HG2 LYS A 52 -5.786 -27.403 -18.371 1.00 30.34 H new ATOM 0 HG3 LYS A 52 -6.806 -26.047 -17.933 1.00 30.34 H new ATOM 0 HD2 LYS A 52 -5.053 -25.285 -19.453 1.00 44.14 H new ATOM 0 HD3 LYS A 52 -4.815 -24.554 -17.878 1.00 44.14 H new ATOM 0 HE2 LYS A 52 -2.684 -25.378 -18.865 1.00 31.32 H new ATOM 0 HE3 LYS A 52 -3.045 -26.147 -17.332 1.00 31.32 H new ATOM 0 HZ1 LYS A 52 -2.277 -27.653 -19.160 1.00 11.24 H new ATOM 0 HZ2 LYS A 52 -3.729 -28.116 -18.410 1.00 11.24 H new ATOM 0 HZ3 LYS A 52 -3.761 -27.376 -19.938 1.00 11.24 H new ATOM 811 N LEU A 53 -6.819 -27.242 -13.409 1.00 5.45 N ATOM 812 CA LEU A 53 -6.646 -27.326 -11.959 1.00 72.44 C ATOM 813 C LEU A 53 -7.066 -28.711 -11.462 1.00 43.14 C ATOM 814 O LEU A 53 -6.580 -29.191 -10.437 1.00 30.51 O ATOM 815 CB LEU A 53 -7.479 -26.203 -11.297 1.00 61.32 C ATOM 816 CG LEU A 53 -7.259 -25.925 -9.794 1.00 62.23 C ATOM 817 CD1 LEU A 53 -8.024 -26.919 -8.919 1.00 3.31 C ATOM 818 CD2 LEU A 53 -5.770 -25.938 -9.449 1.00 15.34 C ATOM 0 H LEU A 53 -7.479 -26.522 -13.701 1.00 5.45 H new ATOM 0 HA LEU A 53 -5.598 -27.189 -11.691 1.00 72.44 H new ATOM 0 HB2 LEU A 53 -7.283 -25.278 -11.840 1.00 61.32 H new ATOM 0 HB3 LEU A 53 -8.533 -26.440 -11.442 1.00 61.32 H new ATOM 0 HG LEU A 53 -7.652 -24.930 -9.586 1.00 62.23 H new ATOM 0 HD11 LEU A 53 -7.845 -26.692 -7.868 1.00 3.31 H new ATOM 0 HD12 LEU A 53 -9.091 -26.843 -9.130 1.00 3.31 H new ATOM 0 HD13 LEU A 53 -7.682 -27.931 -9.135 1.00 3.31 H new ATOM 0 HD21 LEU A 53 -5.641 -25.740 -8.385 1.00 15.34 H new ATOM 0 HD22 LEU A 53 -5.349 -26.914 -9.690 1.00 15.34 H new ATOM 0 HD23 LEU A 53 -5.256 -25.169 -10.026 1.00 15.34 H new ATOM 830 N THR A 54 -7.958 -29.355 -12.209 1.00 2.31 N ATOM 831 CA THR A 54 -8.461 -30.670 -11.835 1.00 74.25 C ATOM 832 C THR A 54 -7.858 -31.785 -12.703 1.00 12.24 C ATOM 833 O THR A 54 -8.373 -32.906 -12.722 1.00 11.50 O ATOM 834 CB THR A 54 -10.009 -30.711 -11.910 1.00 54.25 C ATOM 835 OG1 THR A 54 -10.503 -31.898 -11.267 1.00 2.43 O ATOM 836 CG2 THR A 54 -10.509 -30.665 -13.354 1.00 33.32 C ATOM 0 H THR A 54 -8.347 -28.986 -13.077 1.00 2.31 H new ATOM 0 HA THR A 54 -8.152 -30.848 -10.805 1.00 74.25 H new ATOM 0 HB THR A 54 -10.385 -29.828 -11.394 1.00 54.25 H new ATOM 0 HG1 THR A 54 -9.956 -32.666 -11.533 1.00 2.43 H new ATOM 0 HG21 THR A 54 -11.599 -30.696 -13.363 1.00 33.32 H new ATOM 0 HG22 THR A 54 -10.168 -29.745 -13.828 1.00 33.32 H new ATOM 0 HG23 THR A 54 -10.117 -31.522 -13.902 1.00 33.32 H new ATOM 844 N ASP A 55 -6.760 -31.489 -13.409 1.00 13.25 N ATOM 845 CA ASP A 55 -6.045 -32.524 -14.168 1.00 1.54 C ATOM 846 C ASP A 55 -5.589 -33.629 -13.215 1.00 20.51 C ATOM 847 O ASP A 55 -5.003 -33.330 -12.171 1.00 75.23 O ATOM 848 CB ASP A 55 -4.841 -31.945 -14.938 1.00 3.22 C ATOM 849 CG ASP A 55 -5.214 -31.437 -16.327 1.00 40.30 C ATOM 850 OD1 ASP A 55 -5.855 -32.194 -17.092 1.00 52.23 O ATOM 851 OD2 ASP A 55 -4.867 -30.289 -16.666 1.00 74.12 O ATOM 0 H ASP A 55 -6.352 -30.556 -13.471 1.00 13.25 H new ATOM 0 HA ASP A 55 -6.730 -32.937 -14.909 1.00 1.54 H new ATOM 0 HB2 ASP A 55 -4.407 -31.128 -14.362 1.00 3.22 H new ATOM 0 HB3 ASP A 55 -4.073 -32.712 -15.031 1.00 3.22 H new ATOM 856 N PRO A 56 -5.830 -34.914 -13.586 1.00 62.43 N ATOM 857 CA PRO A 56 -5.737 -36.065 -12.674 1.00 43.13 C ATOM 858 C PRO A 56 -4.633 -35.929 -11.613 1.00 2.34 C ATOM 859 O PRO A 56 -4.927 -35.565 -10.472 1.00 53.10 O ATOM 860 CB PRO A 56 -5.509 -37.250 -13.624 1.00 74.10 C ATOM 861 CG PRO A 56 -6.191 -36.855 -14.893 1.00 74.41 C ATOM 862 CD PRO A 56 -6.197 -35.340 -14.951 1.00 55.11 C ATOM 0 HA PRO A 56 -6.633 -36.175 -12.063 1.00 43.13 H new ATOM 0 HB2 PRO A 56 -4.446 -37.430 -13.785 1.00 74.10 H new ATOM 0 HB3 PRO A 56 -5.930 -38.170 -13.218 1.00 74.10 H new ATOM 0 HG2 PRO A 56 -5.669 -37.270 -15.755 1.00 74.41 H new ATOM 0 HG3 PRO A 56 -7.209 -37.244 -14.919 1.00 74.41 H new ATOM 0 HD2 PRO A 56 -5.484 -34.969 -15.687 1.00 55.11 H new ATOM 0 HD3 PRO A 56 -7.177 -34.958 -15.235 1.00 55.11 H new ATOM 870 N GLU A 57 -3.377 -36.221 -11.956 1.00 53.21 N ATOM 871 CA GLU A 57 -2.275 -36.002 -11.023 1.00 31.20 C ATOM 872 C GLU A 57 -1.485 -34.761 -11.417 1.00 11.32 C ATOM 873 O GLU A 57 -0.872 -34.109 -10.573 1.00 40.10 O ATOM 874 CB GLU A 57 -1.354 -37.228 -10.947 1.00 11.23 C ATOM 875 CG GLU A 57 -0.301 -37.120 -9.844 1.00 74.52 C ATOM 876 CD GLU A 57 0.469 -38.411 -9.620 1.00 43.42 C ATOM 877 OE1 GLU A 57 -0.095 -39.345 -9.010 1.00 15.41 O ATOM 878 OE2 GLU A 57 1.639 -38.496 -10.040 1.00 10.41 O ATOM 0 H GLU A 57 -3.102 -36.604 -12.860 1.00 53.21 H new ATOM 0 HA GLU A 57 -2.701 -35.846 -10.032 1.00 31.20 H new ATOM 0 HB2 GLU A 57 -1.959 -38.119 -10.778 1.00 11.23 H new ATOM 0 HB3 GLU A 57 -0.854 -37.359 -11.907 1.00 11.23 H new ATOM 0 HG2 GLU A 57 0.401 -36.326 -10.098 1.00 74.52 H new ATOM 0 HG3 GLU A 57 -0.788 -36.829 -8.913 1.00 74.52 H new ATOM 885 N SER A 58 -1.529 -34.439 -12.712 1.00 43.04 N ATOM 886 CA SER A 58 -0.710 -33.380 -13.302 1.00 14.11 C ATOM 887 C SER A 58 -0.779 -32.075 -12.498 1.00 64.34 C ATOM 888 O SER A 58 0.217 -31.354 -12.389 1.00 15.34 O ATOM 889 CB SER A 58 -1.139 -33.137 -14.757 1.00 53.34 C ATOM 890 OG SER A 58 -0.302 -32.186 -15.397 1.00 0.11 O ATOM 0 H SER A 58 -2.137 -34.908 -13.383 1.00 43.04 H new ATOM 0 HA SER A 58 0.327 -33.714 -13.279 1.00 14.11 H new ATOM 0 HB2 SER A 58 -1.109 -34.077 -15.307 1.00 53.34 H new ATOM 0 HB3 SER A 58 -2.171 -32.787 -14.779 1.00 53.34 H new ATOM 0 HG SER A 58 -0.601 -32.056 -16.321 1.00 0.11 H new ATOM 896 N SER A 59 -1.943 -31.783 -11.927 1.00 11.31 N ATOM 897 CA SER A 59 -2.125 -30.565 -11.143 1.00 64.13 C ATOM 898 C SER A 59 -1.197 -30.551 -9.922 1.00 74.10 C ATOM 899 O SER A 59 -0.461 -29.587 -9.697 1.00 53.43 O ATOM 900 CB SER A 59 -3.589 -30.450 -10.708 1.00 5.10 C ATOM 901 OG SER A 59 -4.031 -31.648 -10.087 1.00 31.55 O ATOM 0 H SER A 59 -2.774 -32.372 -11.992 1.00 11.31 H new ATOM 0 HA SER A 59 -1.866 -29.707 -11.764 1.00 64.13 H new ATOM 0 HB2 SER A 59 -3.702 -29.615 -10.017 1.00 5.10 H new ATOM 0 HB3 SER A 59 -4.214 -30.234 -11.575 1.00 5.10 H new ATOM 0 HG SER A 59 -4.378 -32.261 -10.768 1.00 31.55 H new ATOM 907 N ALA A 60 -1.225 -31.632 -9.149 1.00 52.35 N ATOM 908 CA ALA A 60 -0.389 -31.759 -7.957 1.00 44.05 C ATOM 909 C ALA A 60 1.022 -32.217 -8.326 1.00 65.01 C ATOM 910 O ALA A 60 1.967 -32.059 -7.549 1.00 55.43 O ATOM 911 CB ALA A 60 -1.026 -32.736 -6.976 1.00 33.33 C ATOM 0 H ALA A 60 -1.822 -32.439 -9.328 1.00 52.35 H new ATOM 0 HA ALA A 60 -0.312 -30.780 -7.483 1.00 44.05 H new ATOM 0 HB1 ALA A 60 -0.397 -32.825 -6.091 1.00 33.33 H new ATOM 0 HB2 ALA A 60 -2.011 -32.370 -6.686 1.00 33.33 H new ATOM 0 HB3 ALA A 60 -1.127 -33.713 -7.449 1.00 33.33 H new ATOM 917 N GLN A 61 1.154 -32.760 -9.531 1.00 51.35 N ATOM 918 CA GLN A 61 2.414 -33.318 -10.012 1.00 31.01 C ATOM 919 C GLN A 61 3.462 -32.222 -10.157 1.00 42.21 C ATOM 920 O GLN A 61 4.662 -32.482 -10.083 1.00 61.11 O ATOM 921 CB GLN A 61 2.189 -34.023 -11.357 1.00 62.35 C ATOM 922 CG GLN A 61 3.410 -34.751 -11.906 1.00 12.53 C ATOM 923 CD GLN A 61 3.153 -35.367 -13.272 1.00 33.44 C ATOM 924 OE1 GLN A 61 2.361 -34.848 -14.059 1.00 35.13 O ATOM 925 NE2 GLN A 61 3.804 -36.485 -13.560 1.00 62.21 N ATOM 0 H GLN A 61 0.390 -32.826 -10.203 1.00 51.35 H new ATOM 0 HA GLN A 61 2.778 -34.045 -9.286 1.00 31.01 H new ATOM 0 HB2 GLN A 61 1.376 -34.740 -11.245 1.00 62.35 H new ATOM 0 HB3 GLN A 61 1.864 -33.284 -12.089 1.00 62.35 H new ATOM 0 HG2 GLN A 61 4.244 -34.053 -11.977 1.00 12.53 H new ATOM 0 HG3 GLN A 61 3.707 -35.534 -11.208 1.00 12.53 H new ATOM 0 HE21 GLN A 61 4.453 -36.886 -12.883 1.00 62.21 H new ATOM 0 HE22 GLN A 61 3.656 -36.944 -14.459 1.00 62.21 H new ATOM 934 N ILE A 62 2.992 -30.989 -10.339 1.00 4.23 N ATOM 935 CA ILE A 62 3.874 -29.838 -10.487 1.00 32.12 C ATOM 936 C ILE A 62 4.862 -29.765 -9.319 1.00 0.54 C ATOM 937 O ILE A 62 6.047 -29.485 -9.506 1.00 12.44 O ATOM 938 CB ILE A 62 3.070 -28.514 -10.554 1.00 60.44 C ATOM 939 CG1 ILE A 62 2.000 -28.585 -11.660 1.00 42.11 C ATOM 940 CG2 ILE A 62 4.005 -27.324 -10.780 1.00 4.10 C ATOM 941 CD1 ILE A 62 1.190 -27.315 -11.815 1.00 43.34 C ATOM 0 H ILE A 62 1.998 -30.763 -10.387 1.00 4.23 H new ATOM 0 HA ILE A 62 4.419 -29.966 -11.422 1.00 32.12 H new ATOM 0 HB ILE A 62 2.565 -28.372 -9.599 1.00 60.44 H new ATOM 0 HG12 ILE A 62 2.487 -28.811 -12.609 1.00 42.11 H new ATOM 0 HG13 ILE A 62 1.323 -29.412 -11.444 1.00 42.11 H new ATOM 0 HG21 ILE A 62 3.420 -26.405 -10.824 1.00 4.10 H new ATOM 0 HG22 ILE A 62 4.719 -27.261 -9.959 1.00 4.10 H new ATOM 0 HG23 ILE A 62 4.543 -27.457 -11.719 1.00 4.10 H new ATOM 0 HD11 ILE A 62 0.459 -27.445 -12.613 1.00 43.34 H new ATOM 0 HD12 ILE A 62 0.673 -27.097 -10.881 1.00 43.34 H new ATOM 0 HD13 ILE A 62 1.855 -26.488 -12.063 1.00 43.34 H new ATOM 953 N ASP A 63 4.359 -30.032 -8.116 1.00 4.21 N ATOM 954 CA ASP A 63 5.178 -29.971 -6.902 1.00 24.12 C ATOM 955 C ASP A 63 5.273 -31.344 -6.245 1.00 32.11 C ATOM 956 O ASP A 63 5.942 -31.509 -5.225 1.00 51.03 O ATOM 957 CB ASP A 63 4.582 -28.957 -5.910 1.00 63.41 C ATOM 958 CG ASP A 63 4.524 -27.546 -6.478 1.00 3.22 C ATOM 959 OD1 ASP A 63 5.570 -26.862 -6.495 1.00 1.22 O ATOM 960 OD2 ASP A 63 3.435 -27.116 -6.919 1.00 51.45 O ATOM 0 H ASP A 63 3.387 -30.293 -7.953 1.00 4.21 H new ATOM 0 HA ASP A 63 6.181 -29.650 -7.183 1.00 24.12 H new ATOM 0 HB2 ASP A 63 3.577 -29.274 -5.632 1.00 63.41 H new ATOM 0 HB3 ASP A 63 5.179 -28.953 -4.998 1.00 63.41 H new ATOM 965 N GLY A 64 4.599 -32.329 -6.836 1.00 4.34 N ATOM 966 CA GLY A 64 4.579 -33.670 -6.275 1.00 4.15 C ATOM 967 C GLY A 64 3.641 -33.774 -5.085 1.00 21.32 C ATOM 968 O GLY A 64 3.639 -34.777 -4.367 1.00 74.55 O ATOM 0 H GLY A 64 4.064 -32.221 -7.698 1.00 4.34 H new ATOM 0 HA2 GLY A 64 4.271 -34.380 -7.043 1.00 4.15 H new ATOM 0 HA3 GLY A 64 5.587 -33.950 -5.968 1.00 4.15 H new ATOM 972 N VAL A 65 2.840 -32.730 -4.886 1.00 53.23 N ATOM 973 CA VAL A 65 1.886 -32.660 -3.783 1.00 5.12 C ATOM 974 C VAL A 65 0.938 -31.481 -4.001 1.00 22.24 C ATOM 975 O VAL A 65 1.303 -30.498 -4.649 1.00 34.45 O ATOM 976 CB VAL A 65 2.603 -32.513 -2.412 1.00 20.52 C ATOM 977 CG1 VAL A 65 3.382 -31.199 -2.336 1.00 63.22 C ATOM 978 CG2 VAL A 65 1.607 -32.635 -1.255 1.00 11.54 C ATOM 0 H VAL A 65 2.835 -31.906 -5.487 1.00 53.23 H new ATOM 0 HA VAL A 65 1.322 -33.593 -3.765 1.00 5.12 H new ATOM 0 HB VAL A 65 3.320 -33.329 -2.320 1.00 20.52 H new ATOM 0 HG11 VAL A 65 3.873 -31.123 -1.366 1.00 63.22 H new ATOM 0 HG12 VAL A 65 4.133 -31.175 -3.126 1.00 63.22 H new ATOM 0 HG13 VAL A 65 2.696 -30.361 -2.462 1.00 63.22 H new ATOM 0 HG21 VAL A 65 2.135 -32.528 -0.307 1.00 11.54 H new ATOM 0 HG22 VAL A 65 0.853 -31.853 -1.340 1.00 11.54 H new ATOM 0 HG23 VAL A 65 1.123 -33.611 -1.293 1.00 11.54 H new ATOM 988 N VAL A 66 -0.282 -31.586 -3.476 1.00 30.32 N ATOM 989 CA VAL A 66 -1.282 -30.538 -3.651 1.00 1.42 C ATOM 990 C VAL A 66 -1.328 -29.605 -2.437 1.00 32.13 C ATOM 991 O VAL A 66 -1.497 -30.046 -1.295 1.00 51.15 O ATOM 992 CB VAL A 66 -2.694 -31.134 -3.915 1.00 14.41 C ATOM 993 CG1 VAL A 66 -3.113 -32.086 -2.794 1.00 5.23 C ATOM 994 CG2 VAL A 66 -3.725 -30.020 -4.114 1.00 34.45 C ATOM 0 H VAL A 66 -0.600 -32.385 -2.927 1.00 30.32 H new ATOM 0 HA VAL A 66 -0.985 -29.959 -4.525 1.00 1.42 H new ATOM 0 HB VAL A 66 -2.647 -31.716 -4.836 1.00 14.41 H new ATOM 0 HG11 VAL A 66 -4.104 -32.486 -3.008 1.00 5.23 H new ATOM 0 HG12 VAL A 66 -2.398 -32.906 -2.726 1.00 5.23 H new ATOM 0 HG13 VAL A 66 -3.136 -31.546 -1.848 1.00 5.23 H new ATOM 0 HG21 VAL A 66 -4.705 -30.460 -4.297 1.00 34.45 H new ATOM 0 HG22 VAL A 66 -3.767 -29.399 -3.219 1.00 34.45 H new ATOM 0 HG23 VAL A 66 -3.437 -29.406 -4.968 1.00 34.45 H new ATOM 1004 N SER A 67 -1.151 -28.314 -2.697 1.00 53.53 N ATOM 1005 CA SER A 67 -1.277 -27.276 -1.680 1.00 63.30 C ATOM 1006 C SER A 67 -2.243 -26.212 -2.190 1.00 25.11 C ATOM 1007 O SER A 67 -2.450 -26.107 -3.398 1.00 45.11 O ATOM 1008 CB SER A 67 0.094 -26.663 -1.371 1.00 44.10 C ATOM 1009 OG SER A 67 1.013 -27.661 -0.953 1.00 1.41 O ATOM 0 H SER A 67 -0.915 -27.957 -3.623 1.00 53.53 H new ATOM 0 HA SER A 67 -1.663 -27.706 -0.756 1.00 63.30 H new ATOM 0 HB2 SER A 67 0.478 -26.157 -2.257 1.00 44.10 H new ATOM 0 HB3 SER A 67 -0.008 -25.908 -0.592 1.00 44.10 H new ATOM 0 HG SER A 67 1.881 -27.248 -0.763 1.00 1.41 H new ATOM 1015 N LYS A 68 -2.817 -25.419 -1.289 1.00 41.35 N ATOM 1016 CA LYS A 68 -3.869 -24.471 -1.663 1.00 53.40 C ATOM 1017 C LYS A 68 -3.358 -23.436 -2.665 1.00 61.41 C ATOM 1018 O LYS A 68 -4.140 -22.814 -3.389 1.00 72.23 O ATOM 1019 CB LYS A 68 -4.505 -23.806 -0.431 1.00 10.32 C ATOM 1020 CG LYS A 68 -6.017 -23.646 -0.588 1.00 71.13 C ATOM 1021 CD LYS A 68 -6.672 -24.998 -0.905 1.00 22.42 C ATOM 1022 CE LYS A 68 -8.013 -24.856 -1.610 1.00 22.41 C ATOM 1023 NZ LYS A 68 -8.432 -26.148 -2.216 1.00 5.02 N ATOM 0 H LYS A 68 -2.574 -25.412 -0.298 1.00 41.35 H new ATOM 0 HA LYS A 68 -4.656 -25.041 -2.157 1.00 53.40 H new ATOM 0 HB2 LYS A 68 -4.293 -24.405 0.455 1.00 10.32 H new ATOM 0 HB3 LYS A 68 -4.051 -22.828 -0.271 1.00 10.32 H new ATOM 0 HG2 LYS A 68 -6.442 -23.235 0.328 1.00 71.13 H new ATOM 0 HG3 LYS A 68 -6.232 -22.935 -1.386 1.00 71.13 H new ATOM 0 HD2 LYS A 68 -5.999 -25.584 -1.530 1.00 22.42 H new ATOM 0 HD3 LYS A 68 -6.812 -25.554 0.022 1.00 22.42 H new ATOM 0 HE2 LYS A 68 -8.769 -24.521 -0.899 1.00 22.41 H new ATOM 0 HE3 LYS A 68 -7.942 -24.092 -2.384 1.00 22.41 H new ATOM 0 HZ1 LYS A 68 -9.267 -25.995 -2.817 1.00 5.02 H new ATOM 0 HZ2 LYS A 68 -7.655 -26.529 -2.793 1.00 5.02 H new ATOM 0 HZ3 LYS A 68 -8.668 -26.825 -1.462 1.00 5.02 H new ATOM 1037 N ASP A 69 -2.039 -23.253 -2.684 1.00 15.13 N ATOM 1038 CA ASP A 69 -1.350 -22.465 -3.717 1.00 73.13 C ATOM 1039 C ASP A 69 -1.833 -22.845 -5.129 1.00 2.11 C ATOM 1040 O ASP A 69 -1.648 -22.087 -6.083 1.00 71.50 O ATOM 1041 CB ASP A 69 0.166 -22.685 -3.597 1.00 3.14 C ATOM 1042 CG ASP A 69 0.968 -21.988 -4.685 1.00 33.44 C ATOM 1043 OD1 ASP A 69 0.987 -20.740 -4.708 1.00 53.11 O ATOM 1044 OD2 ASP A 69 1.603 -22.685 -5.510 1.00 3.03 O ATOM 0 H ASP A 69 -1.411 -23.647 -1.983 1.00 15.13 H new ATOM 0 HA ASP A 69 -1.583 -21.411 -3.562 1.00 73.13 H new ATOM 0 HB2 ASP A 69 0.501 -22.327 -2.624 1.00 3.14 H new ATOM 0 HB3 ASP A 69 0.374 -23.754 -3.632 1.00 3.14 H new ATOM 1049 N GLU A 70 -2.486 -24.003 -5.233 1.00 14.54 N ATOM 1050 CA GLU A 70 -2.963 -24.554 -6.501 1.00 21.21 C ATOM 1051 C GLU A 70 -3.810 -23.538 -7.278 1.00 20.22 C ATOM 1052 O GLU A 70 -3.553 -23.278 -8.458 1.00 62.31 O ATOM 1053 CB GLU A 70 -3.806 -25.814 -6.207 1.00 43.43 C ATOM 1054 CG GLU A 70 -5.018 -25.535 -5.312 1.00 54.45 C ATOM 1055 CD GLU A 70 -5.833 -26.770 -4.952 1.00 72.43 C ATOM 1056 OE1 GLU A 70 -6.255 -27.501 -5.871 1.00 53.25 O ATOM 1057 OE2 GLU A 70 -6.104 -26.981 -3.750 1.00 33.23 O ATOM 0 H GLU A 70 -2.701 -24.592 -4.428 1.00 14.54 H new ATOM 0 HA GLU A 70 -2.099 -24.804 -7.117 1.00 21.21 H new ATOM 0 HB2 GLU A 70 -4.149 -26.241 -7.149 1.00 43.43 H new ATOM 0 HB3 GLU A 70 -3.174 -26.562 -5.729 1.00 43.43 H new ATOM 0 HG2 GLU A 70 -4.674 -25.061 -4.393 1.00 54.45 H new ATOM 0 HG3 GLU A 70 -5.669 -24.820 -5.815 1.00 54.45 H new ATOM 1064 N ILE A 71 -4.788 -22.934 -6.605 1.00 21.23 N ATOM 1065 CA ILE A 71 -5.745 -22.061 -7.272 1.00 21.42 C ATOM 1066 C ILE A 71 -5.040 -20.807 -7.779 1.00 5.33 C ATOM 1067 O ILE A 71 -5.057 -20.502 -8.975 1.00 63.22 O ATOM 1068 CB ILE A 71 -6.908 -21.664 -6.321 1.00 25.30 C ATOM 1069 CG1 ILE A 71 -7.684 -22.915 -5.853 1.00 51.32 C ATOM 1070 CG2 ILE A 71 -7.848 -20.672 -7.004 1.00 34.21 C ATOM 1071 CD1 ILE A 71 -8.797 -22.613 -4.867 1.00 41.44 C ATOM 0 H ILE A 71 -4.936 -23.034 -5.601 1.00 21.23 H new ATOM 0 HA ILE A 71 -6.168 -22.608 -8.115 1.00 21.42 H new ATOM 0 HB ILE A 71 -6.479 -21.181 -5.443 1.00 25.30 H new ATOM 0 HG12 ILE A 71 -8.109 -23.414 -6.724 1.00 51.32 H new ATOM 0 HG13 ILE A 71 -6.985 -23.614 -5.394 1.00 51.32 H new ATOM 0 HG21 ILE A 71 -8.655 -20.407 -6.321 1.00 34.21 H new ATOM 0 HG22 ILE A 71 -7.294 -19.774 -7.277 1.00 34.21 H new ATOM 0 HG23 ILE A 71 -8.267 -21.127 -7.902 1.00 34.21 H new ATOM 0 HD11 ILE A 71 -9.295 -23.541 -4.585 1.00 41.44 H new ATOM 0 HD12 ILE A 71 -8.378 -22.142 -3.978 1.00 41.44 H new ATOM 0 HD13 ILE A 71 -9.519 -21.939 -5.328 1.00 41.44 H new ATOM 1083 N GLU A 72 -4.390 -20.112 -6.852 1.00 15.22 N ATOM 1084 CA GLU A 72 -3.690 -18.865 -7.146 1.00 53.51 C ATOM 1085 C GLU A 72 -2.669 -19.064 -8.270 1.00 55.15 C ATOM 1086 O GLU A 72 -2.550 -18.234 -9.176 1.00 64.43 O ATOM 1087 CB GLU A 72 -2.986 -18.363 -5.877 1.00 52.51 C ATOM 1088 CG GLU A 72 -3.875 -18.401 -4.637 1.00 33.15 C ATOM 1089 CD GLU A 72 -3.190 -17.837 -3.403 1.00 43.24 C ATOM 1090 OE1 GLU A 72 -3.067 -16.599 -3.294 1.00 52.10 O ATOM 1091 OE2 GLU A 72 -2.768 -18.628 -2.533 1.00 15.35 O ATOM 0 H GLU A 72 -4.333 -20.397 -5.874 1.00 15.22 H new ATOM 0 HA GLU A 72 -4.418 -18.124 -7.477 1.00 53.51 H new ATOM 0 HB2 GLU A 72 -2.099 -18.970 -5.698 1.00 52.51 H new ATOM 0 HB3 GLU A 72 -2.645 -17.341 -6.040 1.00 52.51 H new ATOM 0 HG2 GLU A 72 -4.786 -17.835 -4.831 1.00 33.15 H new ATOM 0 HG3 GLU A 72 -4.175 -19.431 -4.442 1.00 33.15 H new ATOM 1098 N LYS A 73 -1.955 -20.183 -8.205 1.00 41.33 N ATOM 1099 CA LYS A 73 -0.904 -20.493 -9.167 1.00 45.24 C ATOM 1100 C LYS A 73 -1.485 -20.716 -10.563 1.00 24.45 C ATOM 1101 O LYS A 73 -1.022 -20.111 -11.533 1.00 4.23 O ATOM 1102 CB LYS A 73 -0.108 -21.722 -8.696 1.00 73.41 C ATOM 1103 CG LYS A 73 0.990 -22.173 -9.659 1.00 61.01 C ATOM 1104 CD LYS A 73 2.044 -23.018 -8.944 1.00 25.10 C ATOM 1105 CE LYS A 73 1.455 -24.270 -8.302 1.00 44.05 C ATOM 1106 NZ LYS A 73 2.346 -24.801 -7.237 1.00 4.13 N ATOM 0 H LYS A 73 -2.087 -20.897 -7.488 1.00 41.33 H new ATOM 0 HA LYS A 73 -0.226 -19.642 -9.228 1.00 45.24 H new ATOM 0 HB2 LYS A 73 0.343 -21.498 -7.729 1.00 73.41 H new ATOM 0 HB3 LYS A 73 -0.800 -22.550 -8.541 1.00 73.41 H new ATOM 0 HG2 LYS A 73 0.549 -22.750 -10.472 1.00 61.01 H new ATOM 0 HG3 LYS A 73 1.464 -21.300 -10.108 1.00 61.01 H new ATOM 0 HD2 LYS A 73 2.816 -23.308 -9.656 1.00 25.10 H new ATOM 0 HD3 LYS A 73 2.529 -22.414 -8.177 1.00 25.10 H new ATOM 0 HE2 LYS A 73 0.477 -24.039 -7.879 1.00 44.05 H new ATOM 0 HE3 LYS A 73 1.300 -25.034 -9.064 1.00 44.05 H new ATOM 0 HZ1 LYS A 73 2.272 -25.838 -7.208 1.00 4.13 H new ATOM 0 HZ2 LYS A 73 3.329 -24.530 -7.440 1.00 4.13 H new ATOM 0 HZ3 LYS A 73 2.061 -24.407 -6.318 1.00 4.13 H new ATOM 1120 N PHE A 74 -2.511 -21.562 -10.660 1.00 11.22 N ATOM 1121 CA PHE A 74 -3.139 -21.846 -11.949 1.00 22.20 C ATOM 1122 C PHE A 74 -3.778 -20.587 -12.542 1.00 73.02 C ATOM 1123 O PHE A 74 -3.817 -20.423 -13.760 1.00 45.14 O ATOM 1124 CB PHE A 74 -4.168 -22.981 -11.818 1.00 10.05 C ATOM 1125 CG PHE A 74 -3.551 -24.359 -11.892 1.00 14.54 C ATOM 1126 CD1 PHE A 74 -2.742 -24.831 -10.866 1.00 44.33 C ATOM 1127 CD2 PHE A 74 -3.775 -25.179 -12.988 1.00 44.31 C ATOM 1128 CE1 PHE A 74 -2.175 -26.089 -10.932 1.00 1.45 C ATOM 1129 CE2 PHE A 74 -3.209 -26.440 -13.057 1.00 73.32 C ATOM 1130 CZ PHE A 74 -2.407 -26.894 -12.029 1.00 62.40 C ATOM 0 H PHE A 74 -2.921 -22.058 -9.869 1.00 11.22 H new ATOM 0 HA PHE A 74 -2.360 -22.176 -12.636 1.00 22.20 H new ATOM 0 HB2 PHE A 74 -4.695 -22.877 -10.869 1.00 10.05 H new ATOM 0 HB3 PHE A 74 -4.912 -22.881 -12.608 1.00 10.05 H new ATOM 0 HD1 PHE A 74 -2.554 -24.206 -10.005 1.00 44.33 H new ATOM 0 HD2 PHE A 74 -4.399 -24.829 -13.797 1.00 44.31 H new ATOM 0 HE1 PHE A 74 -1.550 -26.443 -10.125 1.00 1.45 H new ATOM 0 HE2 PHE A 74 -3.395 -27.069 -13.915 1.00 73.32 H new ATOM 0 HZ PHE A 74 -1.962 -27.877 -12.083 1.00 62.40 H new ATOM 1140 N ILE A 75 -4.270 -19.697 -11.681 1.00 65.43 N ATOM 1141 CA ILE A 75 -4.827 -18.423 -12.139 1.00 31.44 C ATOM 1142 C ILE A 75 -3.730 -17.552 -12.748 1.00 22.43 C ATOM 1143 O ILE A 75 -3.860 -17.053 -13.869 1.00 22.03 O ATOM 1144 CB ILE A 75 -5.506 -17.650 -10.978 1.00 14.34 C ATOM 1145 CG1 ILE A 75 -6.687 -18.461 -10.421 1.00 51.04 C ATOM 1146 CG2 ILE A 75 -5.968 -16.264 -11.437 1.00 31.23 C ATOM 1147 CD1 ILE A 75 -7.305 -17.863 -9.176 1.00 30.54 C ATOM 0 H ILE A 75 -4.295 -19.832 -10.670 1.00 65.43 H new ATOM 0 HA ILE A 75 -5.580 -18.649 -12.894 1.00 31.44 H new ATOM 0 HB ILE A 75 -4.773 -17.510 -10.183 1.00 14.34 H new ATOM 0 HG12 ILE A 75 -7.453 -18.545 -11.191 1.00 51.04 H new ATOM 0 HG13 ILE A 75 -6.348 -19.472 -10.197 1.00 51.04 H new ATOM 0 HG21 ILE A 75 -6.440 -15.744 -10.604 1.00 31.23 H new ATOM 0 HG22 ILE A 75 -5.108 -15.690 -11.783 1.00 31.23 H new ATOM 0 HG23 ILE A 75 -6.685 -16.371 -12.251 1.00 31.23 H new ATOM 0 HD11 ILE A 75 -8.131 -18.491 -8.842 1.00 30.54 H new ATOM 0 HD12 ILE A 75 -6.553 -17.804 -8.389 1.00 30.54 H new ATOM 0 HD13 ILE A 75 -7.676 -16.863 -9.399 1.00 30.54 H new ATOM 1159 N ALA A 76 -2.636 -17.392 -12.006 1.00 52.44 N ATOM 1160 CA ALA A 76 -1.522 -16.549 -12.439 1.00 4.04 C ATOM 1161 C ALA A 76 -0.970 -17.017 -13.785 1.00 21.11 C ATOM 1162 O ALA A 76 -0.520 -16.203 -14.593 1.00 25.25 O ATOM 1163 CB ALA A 76 -0.422 -16.530 -11.381 1.00 5.44 C ATOM 0 H ALA A 76 -2.497 -17.837 -11.099 1.00 52.44 H new ATOM 0 HA ALA A 76 -1.896 -15.533 -12.566 1.00 4.04 H new ATOM 0 HB1 ALA A 76 0.399 -15.898 -11.721 1.00 5.44 H new ATOM 0 HB2 ALA A 76 -0.822 -16.135 -10.447 1.00 5.44 H new ATOM 0 HB3 ALA A 76 -0.056 -17.544 -11.219 1.00 5.44 H new ATOM 1169 N ASP A 77 -1.027 -18.328 -14.017 1.00 61.03 N ATOM 1170 CA ASP A 77 -0.544 -18.922 -15.264 1.00 42.01 C ATOM 1171 C ASP A 77 -1.322 -18.384 -16.464 1.00 61.43 C ATOM 1172 O ASP A 77 -0.776 -18.246 -17.562 1.00 2.14 O ATOM 1173 CB ASP A 77 -0.670 -20.450 -15.213 1.00 63.45 C ATOM 1174 CG ASP A 77 -0.148 -21.119 -16.480 1.00 43.21 C ATOM 1175 OD1 ASP A 77 1.082 -21.323 -16.594 1.00 31.32 O ATOM 1176 OD2 ASP A 77 -0.957 -21.421 -17.380 1.00 14.33 O ATOM 0 H ASP A 77 -1.406 -19.003 -13.353 1.00 61.03 H new ATOM 0 HA ASP A 77 0.506 -18.651 -15.378 1.00 42.01 H new ATOM 0 HB2 ASP A 77 -0.119 -20.829 -14.352 1.00 63.45 H new ATOM 0 HB3 ASP A 77 -1.716 -20.721 -15.067 1.00 63.45 H new ATOM 1181 N VAL A 78 -2.588 -18.047 -16.236 1.00 0.21 N ATOM 1182 CA VAL A 78 -3.484 -17.601 -17.304 1.00 54.41 C ATOM 1183 C VAL A 78 -3.294 -16.102 -17.572 1.00 22.23 C ATOM 1184 O VAL A 78 -4.239 -15.377 -17.878 1.00 42.11 O ATOM 1185 CB VAL A 78 -4.960 -17.915 -16.938 1.00 74.43 C ATOM 1186 CG1 VAL A 78 -5.908 -17.659 -18.116 1.00 55.44 C ATOM 1187 CG2 VAL A 78 -5.072 -19.362 -16.460 1.00 24.11 C ATOM 0 H VAL A 78 -3.022 -18.074 -15.313 1.00 0.21 H new ATOM 0 HA VAL A 78 -3.236 -18.143 -18.217 1.00 54.41 H new ATOM 0 HB VAL A 78 -5.261 -17.243 -16.134 1.00 74.43 H new ATOM 0 HG11 VAL A 78 -6.930 -17.891 -17.817 1.00 55.44 H new ATOM 0 HG12 VAL A 78 -5.845 -16.612 -18.413 1.00 55.44 H new ATOM 0 HG13 VAL A 78 -5.623 -18.292 -18.957 1.00 55.44 H new ATOM 0 HG21 VAL A 78 -6.108 -19.581 -16.203 1.00 24.11 H new ATOM 0 HG22 VAL A 78 -4.745 -20.034 -17.254 1.00 24.11 H new ATOM 0 HG23 VAL A 78 -4.443 -19.505 -15.581 1.00 24.11 H new ATOM 1197 N THR A 79 -2.044 -15.648 -17.448 1.00 30.41 N ATOM 1198 CA THR A 79 -1.660 -14.282 -17.798 1.00 54.12 C ATOM 1199 C THR A 79 -2.304 -13.264 -16.848 1.00 71.50 C ATOM 1200 O THR A 79 -2.284 -12.060 -17.107 1.00 33.50 O ATOM 1201 CB THR A 79 -2.075 -13.968 -19.267 1.00 72.30 C ATOM 1202 OG1 THR A 79 -1.788 -15.106 -20.099 1.00 53.21 O ATOM 1203 CG2 THR A 79 -1.342 -12.748 -19.822 1.00 22.22 C ATOM 0 H THR A 79 -1.272 -16.218 -17.102 1.00 30.41 H new ATOM 0 HA THR A 79 -0.577 -14.203 -17.702 1.00 54.12 H new ATOM 0 HB THR A 79 -3.143 -13.749 -19.268 1.00 72.30 H new ATOM 0 HG1 THR A 79 -2.050 -14.910 -21.023 1.00 53.21 H new ATOM 0 HG21 THR A 79 -1.662 -12.567 -20.848 1.00 22.22 H new ATOM 0 HG22 THR A 79 -1.572 -11.876 -19.210 1.00 22.22 H new ATOM 0 HG23 THR A 79 -0.267 -12.930 -19.804 1.00 22.22 H new ATOM 1211 N LYS A 80 -2.807 -13.744 -15.709 1.00 61.35 N ATOM 1212 CA LYS A 80 -3.552 -12.877 -14.802 1.00 2.22 C ATOM 1213 C LYS A 80 -2.624 -11.946 -14.034 1.00 73.41 C ATOM 1214 O LYS A 80 -2.921 -10.758 -13.881 1.00 21.42 O ATOM 1215 CB LYS A 80 -4.400 -13.696 -13.814 1.00 2.02 C ATOM 1216 CG LYS A 80 -5.207 -12.826 -12.844 1.00 21.24 C ATOM 1217 CD LYS A 80 -6.111 -11.838 -13.590 1.00 33.52 C ATOM 1218 CE LYS A 80 -6.540 -10.660 -12.723 1.00 30.34 C ATOM 1219 NZ LYS A 80 -7.347 -11.080 -11.554 1.00 71.14 N ATOM 0 H LYS A 80 -2.713 -14.711 -15.399 1.00 61.35 H new ATOM 0 HA LYS A 80 -4.219 -12.273 -15.418 1.00 2.22 H new ATOM 0 HB2 LYS A 80 -5.084 -14.334 -14.374 1.00 2.02 H new ATOM 0 HB3 LYS A 80 -3.746 -14.354 -13.243 1.00 2.02 H new ATOM 0 HG2 LYS A 80 -5.815 -13.464 -12.203 1.00 21.24 H new ATOM 0 HG3 LYS A 80 -4.526 -12.277 -12.194 1.00 21.24 H new ATOM 0 HD2 LYS A 80 -5.586 -11.464 -14.469 1.00 33.52 H new ATOM 0 HD3 LYS A 80 -6.997 -12.362 -13.947 1.00 33.52 H new ATOM 0 HE2 LYS A 80 -5.655 -10.127 -12.377 1.00 30.34 H new ATOM 0 HE3 LYS A 80 -7.118 -9.960 -13.327 1.00 30.34 H new ATOM 0 HZ1 LYS A 80 -7.863 -10.260 -11.175 1.00 71.14 H new ATOM 0 HZ2 LYS A 80 -8.026 -11.811 -11.846 1.00 71.14 H new ATOM 0 HZ3 LYS A 80 -6.719 -11.464 -10.819 1.00 71.14 H new ATOM 1233 N ASP A 81 -1.503 -12.493 -13.562 1.00 15.43 N ATOM 1234 CA ASP A 81 -0.517 -11.750 -12.760 1.00 70.42 C ATOM 1235 C ASP A 81 -1.046 -11.404 -11.357 1.00 63.31 C ATOM 1236 O ASP A 81 -0.316 -11.514 -10.370 1.00 51.31 O ATOM 1237 CB ASP A 81 -0.062 -10.471 -13.482 1.00 15.35 C ATOM 1238 CG ASP A 81 0.995 -9.705 -12.699 1.00 71.41 C ATOM 1239 OD1 ASP A 81 2.158 -10.161 -12.661 1.00 53.32 O ATOM 1240 OD2 ASP A 81 0.670 -8.644 -12.114 1.00 21.22 O ATOM 0 H ASP A 81 -1.248 -13.467 -13.723 1.00 15.43 H new ATOM 0 HA ASP A 81 0.341 -12.410 -12.637 1.00 70.42 H new ATOM 0 HB2 ASP A 81 0.335 -10.733 -14.463 1.00 15.35 H new ATOM 0 HB3 ASP A 81 -0.924 -9.826 -13.650 1.00 15.35 H new ATOM 1245 N GLU A 82 -2.309 -10.988 -11.273 1.00 51.11 N ATOM 1246 CA GLU A 82 -2.928 -10.586 -10.011 1.00 23.24 C ATOM 1247 C GLU A 82 -4.084 -11.530 -9.648 1.00 62.30 C ATOM 1248 O GLU A 82 -5.235 -11.283 -10.009 1.00 24.41 O ATOM 1249 CB GLU A 82 -3.443 -9.146 -10.140 1.00 2.34 C ATOM 1250 CG GLU A 82 -4.108 -8.599 -8.883 1.00 51.23 C ATOM 1251 CD GLU A 82 -4.784 -7.259 -9.123 1.00 42.24 C ATOM 1252 OE1 GLU A 82 -4.118 -6.211 -8.991 1.00 14.04 O ATOM 1253 OE2 GLU A 82 -5.987 -7.249 -9.463 1.00 21.23 O ATOM 0 H GLU A 82 -2.932 -10.920 -12.078 1.00 51.11 H new ATOM 0 HA GLU A 82 -2.184 -10.640 -9.216 1.00 23.24 H new ATOM 0 HB2 GLU A 82 -2.608 -8.497 -10.406 1.00 2.34 H new ATOM 0 HB3 GLU A 82 -4.157 -9.101 -10.963 1.00 2.34 H new ATOM 0 HG2 GLU A 82 -4.846 -9.316 -8.524 1.00 51.23 H new ATOM 0 HG3 GLU A 82 -3.360 -8.490 -8.097 1.00 51.23 H new ATOM 1260 N PRO A 83 -3.789 -12.652 -8.972 1.00 41.20 N ATOM 1261 CA PRO A 83 -4.820 -13.577 -8.499 1.00 1.43 C ATOM 1262 C PRO A 83 -5.423 -13.127 -7.163 1.00 63.44 C ATOM 1263 O PRO A 83 -4.886 -13.425 -6.092 1.00 23.54 O ATOM 1264 CB PRO A 83 -4.048 -14.893 -8.350 1.00 4.40 C ATOM 1265 CG PRO A 83 -2.657 -14.475 -7.991 1.00 51.24 C ATOM 1266 CD PRO A 83 -2.430 -13.122 -8.634 1.00 42.23 C ATOM 0 HA PRO A 83 -5.673 -13.647 -9.174 1.00 1.43 H new ATOM 0 HB2 PRO A 83 -4.485 -15.524 -7.576 1.00 4.40 H new ATOM 0 HB3 PRO A 83 -4.063 -15.468 -9.276 1.00 4.40 H new ATOM 0 HG2 PRO A 83 -2.538 -14.414 -6.909 1.00 51.24 H new ATOM 0 HG3 PRO A 83 -1.929 -15.202 -8.351 1.00 51.24 H new ATOM 0 HD2 PRO A 83 -1.929 -12.435 -7.952 1.00 42.23 H new ATOM 0 HD3 PRO A 83 -1.804 -13.203 -9.522 1.00 42.23 H new ATOM 1274 N THR A 84 -6.523 -12.386 -7.234 1.00 62.44 N ATOM 1275 CA THR A 84 -7.178 -11.856 -6.042 1.00 64.50 C ATOM 1276 C THR A 84 -8.372 -12.723 -5.644 1.00 62.30 C ATOM 1277 O THR A 84 -8.743 -13.660 -6.363 1.00 22.53 O ATOM 1278 CB THR A 84 -7.642 -10.390 -6.251 1.00 74.30 C ATOM 1279 OG1 THR A 84 -8.257 -9.888 -5.057 1.00 4.04 O ATOM 1280 CG2 THR A 84 -8.626 -10.272 -7.409 1.00 32.20 C ATOM 0 H THR A 84 -6.983 -12.137 -8.110 1.00 62.44 H new ATOM 0 HA THR A 84 -6.443 -11.873 -5.238 1.00 64.50 H new ATOM 0 HB THR A 84 -6.757 -9.800 -6.488 1.00 74.30 H new ATOM 0 HG1 THR A 84 -8.544 -8.962 -5.201 1.00 4.04 H new ATOM 0 HG21 THR A 84 -8.928 -9.231 -7.525 1.00 32.20 H new ATOM 0 HG22 THR A 84 -8.150 -10.616 -8.327 1.00 32.20 H new ATOM 0 HG23 THR A 84 -9.504 -10.884 -7.204 1.00 32.20 H new ATOM 1288 N ALA A 85 -8.977 -12.389 -4.505 1.00 11.33 N ATOM 1289 CA ALA A 85 -10.109 -13.136 -3.966 1.00 53.25 C ATOM 1290 C ALA A 85 -11.200 -13.326 -5.018 1.00 55.44 C ATOM 1291 O ALA A 85 -11.907 -14.326 -5.008 1.00 52.34 O ATOM 1292 CB ALA A 85 -10.669 -12.424 -2.741 1.00 13.24 C ATOM 0 H ALA A 85 -8.696 -11.594 -3.932 1.00 11.33 H new ATOM 0 HA ALA A 85 -9.755 -14.124 -3.672 1.00 53.25 H new ATOM 0 HB1 ALA A 85 -11.513 -12.989 -2.346 1.00 13.24 H new ATOM 0 HB2 ALA A 85 -9.894 -12.349 -1.978 1.00 13.24 H new ATOM 0 HB3 ALA A 85 -11.001 -11.424 -3.021 1.00 13.24 H new ATOM 1298 N GLN A 86 -11.325 -12.358 -5.922 1.00 34.21 N ATOM 1299 CA GLN A 86 -12.280 -12.441 -7.027 1.00 11.51 C ATOM 1300 C GLN A 86 -12.017 -13.688 -7.876 1.00 50.40 C ATOM 1301 O GLN A 86 -12.908 -14.529 -8.078 1.00 71.31 O ATOM 1302 CB GLN A 86 -12.162 -11.176 -7.890 1.00 50.03 C ATOM 1303 CG GLN A 86 -12.947 -11.219 -9.199 1.00 41.24 C ATOM 1304 CD GLN A 86 -12.727 -9.977 -10.051 1.00 21.50 C ATOM 1305 OE1 GLN A 86 -12.510 -8.880 -9.528 1.00 41.43 O ATOM 1306 NE2 GLN A 86 -12.768 -10.140 -11.364 1.00 55.22 N ATOM 0 H GLN A 86 -10.773 -11.500 -5.911 1.00 34.21 H new ATOM 0 HA GLN A 86 -13.290 -12.515 -6.623 1.00 11.51 H new ATOM 0 HB2 GLN A 86 -12.503 -10.321 -7.306 1.00 50.03 H new ATOM 0 HB3 GLN A 86 -11.110 -11.006 -8.119 1.00 50.03 H new ATOM 0 HG2 GLN A 86 -12.653 -12.102 -9.767 1.00 41.24 H new ATOM 0 HG3 GLN A 86 -14.010 -11.321 -8.979 1.00 41.24 H new ATOM 0 HE21 GLN A 86 -12.950 -11.063 -11.758 1.00 55.22 H new ATOM 0 HE22 GLN A 86 -12.617 -9.343 -11.982 1.00 55.22 H new ATOM 1315 N ASP A 87 -10.777 -13.811 -8.338 1.00 24.32 N ATOM 1316 CA ASP A 87 -10.373 -14.922 -9.188 1.00 32.24 C ATOM 1317 C ASP A 87 -10.506 -16.224 -8.425 1.00 42.21 C ATOM 1318 O ASP A 87 -11.128 -17.176 -8.903 1.00 5.42 O ATOM 1319 CB ASP A 87 -8.925 -14.753 -9.659 1.00 62.23 C ATOM 1320 CG ASP A 87 -8.659 -13.405 -10.297 1.00 31.03 C ATOM 1321 OD1 ASP A 87 -8.936 -13.236 -11.502 1.00 21.13 O ATOM 1322 OD2 ASP A 87 -8.166 -12.502 -9.591 1.00 14.52 O ATOM 0 H ASP A 87 -10.029 -13.148 -8.135 1.00 24.32 H new ATOM 0 HA ASP A 87 -11.023 -14.938 -10.063 1.00 32.24 H new ATOM 0 HB2 ASP A 87 -8.255 -14.884 -8.809 1.00 62.23 H new ATOM 0 HB3 ASP A 87 -8.688 -15.540 -10.375 1.00 62.23 H new ATOM 1327 N ILE A 88 -9.927 -16.252 -7.223 1.00 41.24 N ATOM 1328 CA ILE A 88 -9.978 -17.435 -6.372 1.00 12.41 C ATOM 1329 C ILE A 88 -11.430 -17.829 -6.095 1.00 62.53 C ATOM 1330 O ILE A 88 -11.756 -19.008 -6.075 1.00 0.14 O ATOM 1331 CB ILE A 88 -9.205 -17.237 -5.028 1.00 4.11 C ATOM 1332 CG1 ILE A 88 -7.678 -17.302 -5.253 1.00 4.15 C ATOM 1333 CG2 ILE A 88 -9.627 -18.272 -3.981 1.00 3.10 C ATOM 1334 CD1 ILE A 88 -7.099 -16.115 -5.992 1.00 42.04 C ATOM 0 H ILE A 88 -9.417 -15.466 -6.819 1.00 41.24 H new ATOM 0 HA ILE A 88 -9.481 -18.240 -6.913 1.00 12.41 H new ATOM 0 HB ILE A 88 -9.461 -16.247 -4.651 1.00 4.11 H new ATOM 0 HG12 ILE A 88 -7.185 -17.386 -4.285 1.00 4.15 H new ATOM 0 HG13 ILE A 88 -7.444 -18.209 -5.810 1.00 4.15 H new ATOM 0 HG21 ILE A 88 -9.070 -18.105 -3.059 1.00 3.10 H new ATOM 0 HG22 ILE A 88 -10.694 -18.175 -3.783 1.00 3.10 H new ATOM 0 HG23 ILE A 88 -9.417 -19.274 -4.355 1.00 3.10 H new ATOM 0 HD11 ILE A 88 -6.023 -16.246 -6.105 1.00 42.04 H new ATOM 0 HD12 ILE A 88 -7.560 -16.039 -6.977 1.00 42.04 H new ATOM 0 HD13 ILE A 88 -7.296 -15.204 -5.428 1.00 42.04 H new ATOM 1346 N SER A 89 -12.300 -16.836 -5.916 1.00 54.03 N ATOM 1347 CA SER A 89 -13.711 -17.092 -5.632 1.00 31.54 C ATOM 1348 C SER A 89 -14.379 -17.786 -6.817 1.00 63.41 C ATOM 1349 O SER A 89 -15.029 -18.820 -6.652 1.00 50.42 O ATOM 1350 CB SER A 89 -14.447 -15.785 -5.306 1.00 55.52 C ATOM 1351 OG SER A 89 -15.806 -16.022 -4.969 1.00 41.44 O ATOM 0 H SER A 89 -12.053 -15.848 -5.963 1.00 54.03 H new ATOM 0 HA SER A 89 -13.766 -17.748 -4.763 1.00 31.54 H new ATOM 0 HB2 SER A 89 -13.948 -15.282 -4.477 1.00 55.52 H new ATOM 0 HB3 SER A 89 -14.396 -15.114 -6.163 1.00 55.52 H new ATOM 0 HG SER A 89 -16.246 -15.170 -4.765 1.00 41.44 H new ATOM 1357 N ARG A 90 -14.208 -17.225 -8.019 1.00 23.34 N ATOM 1358 CA ARG A 90 -14.803 -17.821 -9.218 1.00 54.03 C ATOM 1359 C ARG A 90 -14.275 -19.242 -9.413 1.00 24.50 C ATOM 1360 O ARG A 90 -15.041 -20.211 -9.468 1.00 24.11 O ATOM 1361 CB ARG A 90 -14.512 -16.972 -10.468 1.00 2.20 C ATOM 1362 CG ARG A 90 -15.016 -15.535 -10.372 1.00 50.34 C ATOM 1363 CD ARG A 90 -14.878 -14.794 -11.699 1.00 62.12 C ATOM 1364 NE ARG A 90 -15.816 -15.294 -12.715 1.00 24.24 N ATOM 1365 CZ ARG A 90 -15.929 -14.792 -13.951 1.00 75.25 C ATOM 1366 NH1 ARG A 90 -15.114 -13.826 -14.362 1.00 2.51 N ATOM 1367 NH2 ARG A 90 -16.848 -15.267 -14.785 1.00 40.20 N ATOM 0 H ARG A 90 -13.672 -16.374 -8.186 1.00 23.34 H new ATOM 0 HA ARG A 90 -15.884 -17.854 -9.078 1.00 54.03 H new ATOM 0 HB2 ARG A 90 -13.436 -16.958 -10.643 1.00 2.20 H new ATOM 0 HB3 ARG A 90 -14.970 -17.450 -11.334 1.00 2.20 H new ATOM 0 HG2 ARG A 90 -16.062 -15.537 -10.064 1.00 50.34 H new ATOM 0 HG3 ARG A 90 -14.457 -15.005 -9.600 1.00 50.34 H new ATOM 0 HD2 ARG A 90 -15.052 -13.730 -11.539 1.00 62.12 H new ATOM 0 HD3 ARG A 90 -13.857 -14.898 -12.067 1.00 62.12 H new ATOM 0 HE ARG A 90 -16.421 -16.075 -12.461 1.00 24.24 H new ATOM 0 HH11 ARG A 90 -14.397 -13.462 -13.734 1.00 2.51 H new ATOM 0 HH12 ARG A 90 -15.206 -13.448 -15.305 1.00 2.51 H new ATOM 0 HH21 ARG A 90 -17.471 -16.017 -14.484 1.00 40.20 H new ATOM 0 HH22 ARG A 90 -16.931 -14.882 -15.726 1.00 40.20 H new ATOM 1381 N VAL A 91 -12.954 -19.362 -9.468 1.00 13.22 N ATOM 1382 CA VAL A 91 -12.303 -20.650 -9.653 1.00 73.33 C ATOM 1383 C VAL A 91 -12.780 -21.651 -8.596 1.00 11.43 C ATOM 1384 O VAL A 91 -13.216 -22.763 -8.928 1.00 41.13 O ATOM 1385 CB VAL A 91 -10.759 -20.504 -9.588 1.00 22.24 C ATOM 1386 CG1 VAL A 91 -10.069 -21.865 -9.646 1.00 73.11 C ATOM 1387 CG2 VAL A 91 -10.264 -19.600 -10.719 1.00 44.15 C ATOM 0 H VAL A 91 -12.310 -18.575 -9.386 1.00 13.22 H new ATOM 0 HA VAL A 91 -12.574 -21.024 -10.640 1.00 73.33 H new ATOM 0 HB VAL A 91 -10.503 -20.044 -8.633 1.00 22.24 H new ATOM 0 HG11 VAL A 91 -8.989 -21.728 -9.598 1.00 73.11 H new ATOM 0 HG12 VAL A 91 -10.395 -22.474 -8.803 1.00 73.11 H new ATOM 0 HG13 VAL A 91 -10.330 -22.366 -10.578 1.00 73.11 H new ATOM 0 HG21 VAL A 91 -9.180 -19.506 -10.662 1.00 44.15 H new ATOM 0 HG22 VAL A 91 -10.540 -20.035 -11.680 1.00 44.15 H new ATOM 0 HG23 VAL A 91 -10.719 -18.614 -10.623 1.00 44.15 H new ATOM 1397 N ALA A 92 -12.738 -21.226 -7.334 1.00 14.51 N ATOM 1398 CA ALA A 92 -13.115 -22.084 -6.213 1.00 51.41 C ATOM 1399 C ALA A 92 -14.560 -22.541 -6.333 1.00 45.24 C ATOM 1400 O ALA A 92 -14.876 -23.691 -6.042 1.00 41.04 O ATOM 1401 CB ALA A 92 -12.894 -21.375 -4.882 1.00 45.23 C ATOM 0 H ALA A 92 -12.445 -20.288 -7.062 1.00 14.51 H new ATOM 0 HA ALA A 92 -12.474 -22.965 -6.245 1.00 51.41 H new ATOM 0 HB1 ALA A 92 -13.183 -22.036 -4.065 1.00 45.23 H new ATOM 0 HB2 ALA A 92 -11.841 -21.111 -4.781 1.00 45.23 H new ATOM 0 HB3 ALA A 92 -13.500 -20.470 -4.847 1.00 45.23 H new ATOM 1407 N SER A 93 -15.436 -21.646 -6.775 1.00 15.05 N ATOM 1408 CA SER A 93 -16.839 -21.984 -6.924 1.00 62.23 C ATOM 1409 C SER A 93 -17.032 -22.986 -8.059 1.00 73.41 C ATOM 1410 O SER A 93 -17.918 -23.833 -7.993 1.00 13.21 O ATOM 1411 CB SER A 93 -17.682 -20.729 -7.154 1.00 70.15 C ATOM 1412 OG SER A 93 -17.139 -19.915 -8.175 1.00 11.51 O ATOM 0 H SER A 93 -15.198 -20.688 -7.034 1.00 15.05 H new ATOM 0 HA SER A 93 -17.178 -22.449 -5.998 1.00 62.23 H new ATOM 0 HB2 SER A 93 -18.699 -21.017 -7.420 1.00 70.15 H new ATOM 0 HB3 SER A 93 -17.745 -20.158 -6.228 1.00 70.15 H new ATOM 0 HG SER A 93 -16.395 -20.385 -8.607 1.00 11.51 H new ATOM 1418 N ARG A 94 -16.203 -22.891 -9.099 1.00 41.15 N ATOM 1419 CA ARG A 94 -16.277 -23.853 -10.208 1.00 3.43 C ATOM 1420 C ARG A 94 -15.865 -25.245 -9.751 1.00 32.51 C ATOM 1421 O ARG A 94 -16.613 -26.201 -9.915 1.00 40.31 O ATOM 1422 CB ARG A 94 -15.367 -23.445 -11.364 1.00 52.53 C ATOM 1423 CG ARG A 94 -15.492 -21.992 -11.762 1.00 61.23 C ATOM 1424 CD ARG A 94 -16.954 -21.571 -11.870 1.00 13.22 C ATOM 1425 NE ARG A 94 -17.128 -20.269 -12.512 1.00 3.54 N ATOM 1426 CZ ARG A 94 -17.630 -19.189 -11.911 1.00 23.02 C ATOM 1427 NH1 ARG A 94 -17.830 -19.168 -10.596 1.00 3.12 N ATOM 1428 NH2 ARG A 94 -17.907 -18.114 -12.626 1.00 21.02 N ATOM 0 H ARG A 94 -15.485 -22.174 -9.200 1.00 41.15 H new ATOM 0 HA ARG A 94 -17.314 -23.861 -10.544 1.00 3.43 H new ATOM 0 HB2 ARG A 94 -14.332 -23.647 -11.087 1.00 52.53 H new ATOM 0 HB3 ARG A 94 -15.594 -24.069 -12.229 1.00 52.53 H new ATOM 0 HG2 ARG A 94 -14.985 -21.367 -11.028 1.00 61.23 H new ATOM 0 HG3 ARG A 94 -14.993 -21.830 -12.718 1.00 61.23 H new ATOM 0 HD2 ARG A 94 -17.503 -22.325 -12.435 1.00 13.22 H new ATOM 0 HD3 ARG A 94 -17.392 -21.539 -10.872 1.00 13.22 H new ATOM 0 HE ARG A 94 -16.846 -20.180 -13.488 1.00 3.54 H new ATOM 0 HH11 ARG A 94 -17.599 -19.986 -10.032 1.00 3.12 H new ATOM 0 HH12 ARG A 94 -18.215 -18.334 -10.152 1.00 3.12 H new ATOM 0 HH21 ARG A 94 -17.737 -18.113 -13.632 1.00 21.02 H new ATOM 0 HH22 ARG A 94 -18.291 -17.285 -12.173 1.00 21.02 H new ATOM 1442 N LEU A 95 -14.667 -25.353 -9.175 1.00 55.01 N ATOM 1443 CA LEU A 95 -14.202 -26.637 -8.622 1.00 15.52 C ATOM 1444 C LEU A 95 -15.118 -27.131 -7.494 1.00 70.41 C ATOM 1445 O LEU A 95 -15.238 -28.339 -7.275 1.00 61.13 O ATOM 1446 CB LEU A 95 -12.731 -26.570 -8.158 1.00 62.31 C ATOM 1447 CG LEU A 95 -12.351 -25.404 -7.224 1.00 10.41 C ATOM 1448 CD1 LEU A 95 -12.088 -25.887 -5.799 1.00 12.14 C ATOM 1449 CD2 LEU A 95 -11.137 -24.659 -7.773 1.00 73.21 C ATOM 0 H LEU A 95 -14.006 -24.583 -9.077 1.00 55.01 H new ATOM 0 HA LEU A 95 -14.251 -27.365 -9.432 1.00 15.52 H new ATOM 0 HB2 LEU A 95 -12.492 -27.504 -7.650 1.00 62.31 H new ATOM 0 HB3 LEU A 95 -12.097 -26.517 -9.043 1.00 62.31 H new ATOM 0 HG LEU A 95 -13.197 -24.718 -7.186 1.00 10.41 H new ATOM 0 HD11 LEU A 95 -11.823 -25.037 -5.170 1.00 12.14 H new ATOM 0 HD12 LEU A 95 -12.985 -26.364 -5.405 1.00 12.14 H new ATOM 0 HD13 LEU A 95 -11.268 -26.605 -5.804 1.00 12.14 H new ATOM 0 HD21 LEU A 95 -10.880 -23.838 -7.103 1.00 73.21 H new ATOM 0 HD22 LEU A 95 -10.293 -25.344 -7.848 1.00 73.21 H new ATOM 0 HD23 LEU A 95 -11.370 -24.262 -8.761 1.00 73.21 H new ATOM 1461 N ALA A 96 -15.757 -26.202 -6.783 1.00 40.45 N ATOM 1462 CA ALA A 96 -16.750 -26.562 -5.765 1.00 52.43 C ATOM 1463 C ALA A 96 -17.992 -27.157 -6.427 1.00 51.03 C ATOM 1464 O ALA A 96 -18.520 -28.182 -5.986 1.00 52.32 O ATOM 1465 CB ALA A 96 -17.127 -25.345 -4.922 1.00 5.15 C ATOM 0 H ALA A 96 -15.607 -25.199 -6.891 1.00 40.45 H new ATOM 0 HA ALA A 96 -16.311 -27.310 -5.105 1.00 52.43 H new ATOM 0 HB1 ALA A 96 -17.864 -25.635 -4.174 1.00 5.15 H new ATOM 0 HB2 ALA A 96 -16.238 -24.958 -4.424 1.00 5.15 H new ATOM 0 HB3 ALA A 96 -17.548 -24.573 -5.566 1.00 5.15 H new ATOM 1471 N ALA A 97 -18.441 -26.504 -7.496 1.00 43.02 N ATOM 1472 CA ALA A 97 -19.559 -26.987 -8.297 1.00 4.04 C ATOM 1473 C ALA A 97 -19.124 -28.199 -9.116 1.00 60.22 C ATOM 1474 O ALA A 97 -19.949 -28.968 -9.607 1.00 2.12 O ATOM 1475 CB ALA A 97 -20.083 -25.876 -9.206 1.00 52.53 C ATOM 0 H ALA A 97 -18.040 -25.627 -7.829 1.00 43.02 H new ATOM 0 HA ALA A 97 -20.369 -27.289 -7.632 1.00 4.04 H new ATOM 0 HB1 ALA A 97 -20.917 -26.253 -9.797 1.00 52.53 H new ATOM 0 HB2 ALA A 97 -20.419 -25.036 -8.598 1.00 52.53 H new ATOM 0 HB3 ALA A 97 -19.286 -25.545 -9.872 1.00 52.53 H new ATOM 1481 N GLY A 98 -17.807 -28.362 -9.233 1.00 10.24 N ATOM 1482 CA GLY A 98 -17.225 -29.505 -9.918 1.00 71.13 C ATOM 1483 C GLY A 98 -17.248 -30.752 -9.069 1.00 75.14 C ATOM 1484 O GLY A 98 -16.341 -31.581 -9.157 1.00 24.30 O ATOM 0 H GLY A 98 -17.121 -27.708 -8.857 1.00 10.24 H new ATOM 0 HA2 GLY A 98 -17.771 -29.688 -10.844 1.00 71.13 H new ATOM 0 HA3 GLY A 98 -16.196 -29.275 -10.195 1.00 71.13 H new ATOM 1488 N GLY A 99 -18.253 -30.861 -8.208 1.00 44.44 N ATOM 1489 CA GLY A 99 -18.446 -32.067 -7.444 1.00 11.31 C ATOM 1490 C GLY A 99 -18.598 -33.260 -8.358 1.00 2.41 C ATOM 1491 O GLY A 99 -19.595 -33.379 -9.071 1.00 24.34 O ATOM 0 H GLY A 99 -18.939 -30.127 -8.029 1.00 44.44 H new ATOM 0 HA2 GLY A 99 -17.598 -32.220 -6.776 1.00 11.31 H new ATOM 0 HA3 GLY A 99 -19.332 -31.968 -6.817 1.00 11.31 H new ATOM 1495 N TRP A 100 -17.598 -34.126 -8.355 1.00 33.12 N ATOM 1496 CA TRP A 100 -17.584 -35.307 -9.205 1.00 54.53 C ATOM 1497 C TRP A 100 -18.782 -36.242 -8.876 1.00 63.43 C ATOM 1498 O TRP A 100 -19.612 -35.885 -8.035 1.00 14.14 O ATOM 1499 CB TRP A 100 -16.192 -35.952 -9.123 1.00 53.11 C ATOM 1500 CG TRP A 100 -15.178 -35.205 -9.955 1.00 53.11 C ATOM 1501 CD1 TRP A 100 -14.732 -33.922 -9.767 1.00 62.25 C ATOM 1502 CD2 TRP A 100 -14.510 -35.689 -11.128 1.00 74.21 C ATOM 1503 NE1 TRP A 100 -13.822 -33.592 -10.740 1.00 50.24 N ATOM 1504 CE2 TRP A 100 -13.666 -34.655 -11.585 1.00 71.24 C ATOM 1505 CE3 TRP A 100 -14.534 -36.894 -11.832 1.00 61.55 C ATOM 1506 CZ2 TRP A 100 -12.862 -34.791 -12.713 1.00 14.04 C ATOM 1507 CZ3 TRP A 100 -13.735 -37.027 -12.953 1.00 44.10 C ATOM 1508 CH2 TRP A 100 -12.907 -35.979 -13.382 1.00 25.43 C ATOM 0 H TRP A 100 -16.773 -34.031 -7.763 1.00 33.12 H new ATOM 0 HA TRP A 100 -17.739 -35.048 -10.252 1.00 54.53 H new ATOM 0 HB2 TRP A 100 -15.863 -35.976 -8.084 1.00 53.11 H new ATOM 0 HB3 TRP A 100 -16.250 -36.986 -9.463 1.00 53.11 H new ATOM 0 HD1 TRP A 100 -15.050 -33.267 -8.970 1.00 62.25 H new ATOM 0 HE1 TRP A 100 -13.339 -32.697 -10.820 1.00 50.24 H new ATOM 0 HE3 TRP A 100 -15.165 -37.708 -11.507 1.00 61.55 H new ATOM 0 HZ2 TRP A 100 -12.225 -33.985 -13.047 1.00 14.04 H new ATOM 0 HZ3 TRP A 100 -13.749 -37.954 -13.508 1.00 44.10 H new ATOM 0 HH2 TRP A 100 -12.293 -36.115 -14.260 1.00 25.43 H new ATOM 1519 N PRO A 101 -18.875 -37.472 -9.461 1.00 54.45 N ATOM 1520 CA PRO A 101 -20.133 -38.113 -9.832 1.00 61.44 C ATOM 1521 C PRO A 101 -21.397 -37.250 -9.688 1.00 74.42 C ATOM 1522 O PRO A 101 -22.419 -37.694 -9.164 1.00 34.13 O ATOM 1523 CB PRO A 101 -20.078 -39.315 -8.895 1.00 45.13 C ATOM 1524 CG PRO A 101 -18.613 -39.705 -8.928 1.00 52.13 C ATOM 1525 CD PRO A 101 -17.854 -38.516 -9.527 1.00 25.12 C ATOM 0 HA PRO A 101 -20.216 -38.347 -10.893 1.00 61.44 H new ATOM 0 HB2 PRO A 101 -20.405 -39.057 -7.888 1.00 45.13 H new ATOM 0 HB3 PRO A 101 -20.720 -40.126 -9.240 1.00 45.13 H new ATOM 0 HG2 PRO A 101 -18.250 -39.930 -7.925 1.00 52.13 H new ATOM 0 HG3 PRO A 101 -18.465 -40.602 -9.530 1.00 52.13 H new ATOM 0 HD2 PRO A 101 -16.965 -38.261 -8.950 1.00 25.12 H new ATOM 0 HD3 PRO A 101 -17.526 -38.708 -10.549 1.00 25.12 H new ATOM 1533 N LEU A 102 -21.312 -36.019 -10.199 1.00 10.31 N ATOM 1534 CA LEU A 102 -22.469 -35.153 -10.409 1.00 74.21 C ATOM 1535 C LEU A 102 -22.317 -34.477 -11.772 1.00 33.31 C ATOM 1536 O LEU A 102 -21.736 -33.397 -11.888 1.00 3.42 O ATOM 1537 CB LEU A 102 -22.591 -34.107 -9.286 1.00 54.21 C ATOM 1538 CG LEU A 102 -23.738 -33.092 -9.442 1.00 73.13 C ATOM 1539 CD1 LEU A 102 -25.094 -33.796 -9.448 1.00 1.32 C ATOM 1540 CD2 LEU A 102 -23.679 -32.041 -8.334 1.00 12.44 C ATOM 0 H LEU A 102 -20.429 -35.594 -10.480 1.00 10.31 H new ATOM 0 HA LEU A 102 -23.382 -35.747 -10.389 1.00 74.21 H new ATOM 0 HB2 LEU A 102 -22.720 -34.631 -8.339 1.00 54.21 H new ATOM 0 HB3 LEU A 102 -21.651 -33.559 -9.221 1.00 54.21 H new ATOM 0 HG LEU A 102 -23.617 -32.588 -10.401 1.00 73.13 H new ATOM 0 HD11 LEU A 102 -25.887 -33.057 -9.559 1.00 1.32 H new ATOM 0 HD12 LEU A 102 -25.135 -34.500 -10.279 1.00 1.32 H new ATOM 0 HD13 LEU A 102 -25.229 -34.334 -8.510 1.00 1.32 H new ATOM 0 HD21 LEU A 102 -24.497 -31.332 -8.461 1.00 12.44 H new ATOM 0 HD22 LEU A 102 -23.769 -32.530 -7.364 1.00 12.44 H new ATOM 0 HD23 LEU A 102 -22.728 -31.510 -8.386 1.00 12.44 H new ATOM 1552 N ALA A 103 -22.817 -35.140 -12.809 1.00 35.13 N ATOM 1553 CA ALA A 103 -22.597 -34.707 -14.189 1.00 1.22 C ATOM 1554 C ALA A 103 -23.794 -33.923 -14.721 1.00 44.52 C ATOM 1555 O ALA A 103 -24.154 -34.040 -15.894 1.00 71.31 O ATOM 1556 CB ALA A 103 -22.311 -35.923 -15.065 1.00 34.24 C ATOM 0 H ALA A 103 -23.381 -35.985 -12.721 1.00 35.13 H new ATOM 0 HA ALA A 103 -21.736 -34.039 -14.213 1.00 1.22 H new ATOM 0 HB1 ALA A 103 -22.147 -35.600 -16.093 1.00 34.24 H new ATOM 0 HB2 ALA A 103 -21.421 -36.434 -14.699 1.00 34.24 H new ATOM 0 HB3 ALA A 103 -23.161 -36.605 -15.030 1.00 34.24 H new ATOM 1562 N GLY A 104 -24.388 -33.101 -13.861 1.00 1.03 N ATOM 1563 CA GLY A 104 -25.542 -32.307 -14.254 1.00 34.40 C ATOM 1564 C GLY A 104 -25.152 -31.081 -15.063 1.00 2.44 C ATOM 1565 O GLY A 104 -25.539 -29.957 -14.728 1.00 60.53 O ATOM 0 H GLY A 104 -24.090 -32.969 -12.894 1.00 1.03 H new ATOM 0 HA2 GLY A 104 -26.222 -32.925 -14.840 1.00 34.40 H new ATOM 0 HA3 GLY A 104 -26.085 -31.993 -13.362 1.00 34.40 H new ATOM 1569 N VAL A 105 -24.383 -31.296 -16.130 1.00 75.25 N ATOM 1570 CA VAL A 105 -23.927 -30.234 -16.984 1.00 23.35 C ATOM 1571 C VAL A 105 -25.073 -29.678 -17.836 1.00 14.03 C ATOM 1572 O VAL A 105 -25.289 -30.096 -18.974 1.00 43.04 O ATOM 1573 CB VAL A 105 -22.762 -30.729 -17.877 1.00 43.11 C ATOM 1574 CG1 VAL A 105 -21.482 -30.905 -17.055 1.00 54.52 C ATOM 1575 CG2 VAL A 105 -23.115 -32.033 -18.605 1.00 71.45 C ATOM 0 H VAL A 105 -24.065 -32.222 -16.416 1.00 75.25 H new ATOM 0 HA VAL A 105 -23.561 -29.422 -16.356 1.00 23.35 H new ATOM 0 HB VAL A 105 -22.589 -29.964 -18.634 1.00 43.11 H new ATOM 0 HG11 VAL A 105 -20.678 -31.253 -17.704 1.00 54.52 H new ATOM 0 HG12 VAL A 105 -21.201 -29.950 -16.610 1.00 54.52 H new ATOM 0 HG13 VAL A 105 -21.654 -31.637 -16.266 1.00 54.52 H new ATOM 0 HG21 VAL A 105 -22.272 -32.346 -19.220 1.00 71.45 H new ATOM 0 HG22 VAL A 105 -23.338 -32.809 -17.873 1.00 71.45 H new ATOM 0 HG23 VAL A 105 -23.987 -31.871 -19.239 1.00 71.45 H new ATOM 1585 N ASP A 106 -25.828 -28.752 -17.253 1.00 34.34 N ATOM 1586 CA ASP A 106 -26.938 -28.107 -17.949 1.00 34.40 C ATOM 1587 C ASP A 106 -26.439 -26.886 -18.719 1.00 44.13 C ATOM 1588 O ASP A 106 -25.389 -26.328 -18.391 1.00 12.44 O ATOM 1589 CB ASP A 106 -28.031 -27.702 -16.951 1.00 3.44 C ATOM 1590 CG ASP A 106 -29.205 -27.013 -17.629 1.00 44.43 C ATOM 1591 OD1 ASP A 106 -30.052 -27.709 -18.223 1.00 25.55 O ATOM 1592 OD2 ASP A 106 -29.272 -25.769 -17.598 1.00 61.24 O ATOM 0 H ASP A 106 -25.691 -28.430 -16.295 1.00 34.34 H new ATOM 0 HA ASP A 106 -27.365 -28.816 -18.659 1.00 34.40 H new ATOM 0 HB2 ASP A 106 -28.387 -28.588 -16.426 1.00 3.44 H new ATOM 0 HB3 ASP A 106 -27.606 -27.036 -16.200 1.00 3.44 H new ATOM 1597 N SER A 107 -27.202 -26.468 -19.726 1.00 25.45 N ATOM 1598 CA SER A 107 -26.809 -25.370 -20.607 1.00 20.22 C ATOM 1599 C SER A 107 -26.577 -24.068 -19.831 1.00 62.13 C ATOM 1600 O SER A 107 -25.652 -23.311 -20.135 1.00 71.25 O ATOM 1601 CB SER A 107 -27.878 -25.173 -21.690 1.00 31.03 C ATOM 1602 OG SER A 107 -29.180 -25.131 -21.127 1.00 63.21 O ATOM 0 H SER A 107 -28.107 -26.879 -19.954 1.00 25.45 H new ATOM 0 HA SER A 107 -25.861 -25.633 -21.076 1.00 20.22 H new ATOM 0 HB2 SER A 107 -27.684 -24.247 -22.232 1.00 31.03 H new ATOM 0 HB3 SER A 107 -27.819 -25.985 -22.415 1.00 31.03 H new ATOM 0 HG SER A 107 -29.841 -25.003 -21.840 1.00 63.21 H new ATOM 1608 N THR A 108 -27.409 -23.818 -18.820 1.00 52.43 N ATOM 1609 CA THR A 108 -27.301 -22.596 -18.020 1.00 65.30 C ATOM 1610 C THR A 108 -26.076 -22.645 -17.107 1.00 75.14 C ATOM 1611 O THR A 108 -25.651 -21.623 -16.566 1.00 15.14 O ATOM 1612 CB THR A 108 -28.571 -22.356 -17.166 1.00 33.03 C ATOM 1613 OG1 THR A 108 -28.756 -23.432 -16.232 1.00 25.35 O ATOM 1614 CG2 THR A 108 -29.807 -22.230 -18.052 1.00 32.14 C ATOM 0 H THR A 108 -28.163 -24.443 -18.535 1.00 52.43 H new ATOM 0 HA THR A 108 -27.194 -21.768 -18.721 1.00 65.30 H new ATOM 0 HB THR A 108 -28.436 -21.423 -16.619 1.00 33.03 H new ATOM 0 HG1 THR A 108 -29.081 -24.225 -16.707 1.00 25.35 H new ATOM 0 HG21 THR A 108 -30.686 -22.062 -17.429 1.00 32.14 H new ATOM 0 HG22 THR A 108 -29.681 -21.390 -18.735 1.00 32.14 H new ATOM 0 HG23 THR A 108 -29.939 -23.148 -18.625 1.00 32.14 H new ATOM 1622 N ALA A 109 -25.507 -23.842 -16.947 1.00 54.00 N ATOM 1623 CA ALA A 109 -24.322 -24.032 -16.115 1.00 24.21 C ATOM 1624 C ALA A 109 -23.057 -23.788 -16.927 1.00 11.04 C ATOM 1625 O ALA A 109 -21.942 -23.869 -16.409 1.00 23.33 O ATOM 1626 CB ALA A 109 -24.314 -25.434 -15.505 1.00 14.02 C ATOM 0 H ALA A 109 -25.851 -24.696 -17.386 1.00 54.00 H new ATOM 0 HA ALA A 109 -24.350 -23.308 -15.301 1.00 24.21 H new ATOM 0 HB1 ALA A 109 -23.424 -25.557 -14.888 1.00 14.02 H new ATOM 0 HB2 ALA A 109 -25.203 -25.568 -14.889 1.00 14.02 H new ATOM 0 HB3 ALA A 109 -24.309 -26.178 -16.302 1.00 14.02 H new ATOM 1632 N LEU A 110 -23.247 -23.474 -18.204 1.00 1.22 N ATOM 1633 CA LEU A 110 -22.157 -23.194 -19.117 1.00 62.21 C ATOM 1634 C LEU A 110 -22.468 -21.920 -19.878 1.00 32.34 C ATOM 1635 O LEU A 110 -23.214 -21.920 -20.858 1.00 74.23 O ATOM 1636 CB LEU A 110 -21.927 -24.348 -20.095 1.00 35.40 C ATOM 1637 CG LEU A 110 -21.096 -25.530 -19.568 1.00 12.11 C ATOM 1638 CD1 LEU A 110 -19.849 -25.045 -18.828 1.00 12.33 C ATOM 1639 CD2 LEU A 110 -21.936 -26.464 -18.694 1.00 71.20 C ATOM 0 H LEU A 110 -24.170 -23.408 -18.633 1.00 1.22 H new ATOM 0 HA LEU A 110 -21.242 -23.072 -18.537 1.00 62.21 H new ATOM 0 HB2 LEU A 110 -22.899 -24.727 -20.412 1.00 35.40 H new ATOM 0 HB3 LEU A 110 -21.434 -23.952 -20.983 1.00 35.40 H new ATOM 0 HG LEU A 110 -20.764 -26.106 -20.432 1.00 12.11 H new ATOM 0 HD11 LEU A 110 -19.283 -25.904 -18.468 1.00 12.33 H new ATOM 0 HD12 LEU A 110 -19.228 -24.460 -19.506 1.00 12.33 H new ATOM 0 HD13 LEU A 110 -20.146 -24.425 -17.982 1.00 12.33 H new ATOM 0 HD21 LEU A 110 -21.315 -27.287 -18.340 1.00 71.20 H new ATOM 0 HD22 LEU A 110 -22.326 -25.910 -17.840 1.00 71.20 H new ATOM 0 HD23 LEU A 110 -22.766 -26.861 -19.279 1.00 71.20 H new ATOM 1651 N ASN A 111 -21.905 -20.838 -19.393 1.00 2.03 N ATOM 1652 CA ASN A 111 -22.157 -19.515 -19.951 1.00 51.20 C ATOM 1653 C ASN A 111 -21.081 -19.164 -20.970 1.00 3.43 C ATOM 1654 O ASN A 111 -21.389 -18.855 -22.127 1.00 20.31 O ATOM 1655 CB ASN A 111 -22.207 -18.476 -18.824 1.00 51.14 C ATOM 1656 CG ASN A 111 -22.209 -17.042 -19.339 1.00 45.04 C ATOM 1657 OD1 ASN A 111 -23.262 -16.476 -19.635 1.00 64.14 O ATOM 1658 ND2 ASN A 111 -21.032 -16.445 -19.452 1.00 71.21 N ATOM 0 H ASN A 111 -21.260 -20.842 -18.603 1.00 2.03 H new ATOM 0 HA ASN A 111 -23.120 -19.515 -20.461 1.00 51.20 H new ATOM 0 HB2 ASN A 111 -23.101 -18.642 -18.223 1.00 51.14 H new ATOM 0 HB3 ASN A 111 -21.350 -18.619 -18.166 1.00 51.14 H new ATOM 0 HD21 ASN A 111 -20.978 -15.485 -19.794 1.00 71.21 H new ATOM 0 HD22 ASN A 111 -20.180 -16.945 -19.197 1.00 71.21 H new ATOM 1665 N ALA A 112 -19.825 -19.239 -20.529 1.00 65.35 N ATOM 1666 CA ALA A 112 -18.674 -18.958 -21.378 1.00 3.51 C ATOM 1667 C ALA A 112 -18.756 -17.538 -21.948 1.00 55.23 C ATOM 1668 O ALA A 112 -19.139 -17.374 -23.125 1.00 20.44 O ATOM 1669 CB ALA A 112 -18.557 -20.007 -22.488 1.00 24.13 C ATOM 1670 OXT ALA A 112 -18.469 -16.583 -21.195 1.00 0.00 O ATOM 0 H ALA A 112 -19.580 -19.496 -19.573 1.00 65.35 H new ATOM 0 HA ALA A 112 -17.770 -19.016 -20.772 1.00 3.51 H new ATOM 0 HB1 ALA A 112 -17.692 -19.781 -23.112 1.00 24.13 H new ATOM 0 HB2 ALA A 112 -18.436 -20.995 -22.044 1.00 24.13 H new ATOM 0 HB3 ALA A 112 -19.459 -19.992 -23.099 1.00 24.13 H new