USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=15 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 50:sc= 0.284 USER MOD Single : A 42 THR OG1 : rot 54:sc= -0.134 USER MOD Single : A 45 GLN : amide:sc= -2.77! C(o=-2.8!,f=-1.6!) USER MOD Single : A 47 GLN : amide:sc= -1.48! C(o=-1.5!,f=-1.5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -67:sc= 0.427 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -167:sc= 0.544 USER MOD Single : A 61 GLN : amide:sc=-0.000337 K(o=-0.00034,f=-0.81) USER MOD Single : A 67 SER OG : rot -114:sc= 0.411 USER MOD Single : A 68 LYS NZ :NH3+ 147:sc= -1.96! (180deg=-3.76!) USER MOD Single : A 73 LYS NZ :NH3+ 151:sc= 0.758 (180deg=0.261) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -166:sc= -0.241! (180deg=-0.513!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -8:sc= 1.12 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 86:sc= 0.807 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.098) USER MOD ----------------------------------------------------------------- ATOM 557 N ARG A 38 -4.909 -13.310 -23.428 1.00 2.14 N ATOM 558 CA ARG A 38 -5.837 -13.973 -22.513 1.00 45.54 C ATOM 559 C ARG A 38 -5.425 -13.743 -21.067 1.00 2.05 C ATOM 560 O ARG A 38 -5.542 -14.632 -20.227 1.00 21.04 O ATOM 561 CB ARG A 38 -5.897 -15.476 -22.819 1.00 41.41 C ATOM 562 CG ARG A 38 -6.734 -15.822 -24.041 1.00 14.00 C ATOM 563 CD ARG A 38 -8.153 -15.286 -23.911 1.00 71.31 C ATOM 564 NE ARG A 38 -9.066 -15.927 -24.868 1.00 2.14 N ATOM 565 CZ ARG A 38 -10.406 -15.904 -24.780 1.00 52.02 C ATOM 566 NH1 ARG A 38 -11.011 -15.177 -23.848 1.00 34.34 N ATOM 567 NH2 ARG A 38 -11.144 -16.604 -25.633 1.00 41.24 N ATOM 0 HA ARG A 38 -6.829 -13.544 -22.657 1.00 45.54 H new ATOM 0 HB2 ARG A 38 -4.883 -15.847 -22.968 1.00 41.41 H new ATOM 0 HB3 ARG A 38 -6.304 -15.998 -21.952 1.00 41.41 H new ATOM 0 HG2 ARG A 38 -6.267 -15.406 -24.934 1.00 14.00 H new ATOM 0 HG3 ARG A 38 -6.762 -16.904 -24.170 1.00 14.00 H new ATOM 0 HD2 ARG A 38 -8.514 -15.453 -22.896 1.00 71.31 H new ATOM 0 HD3 ARG A 38 -8.151 -14.208 -24.075 1.00 71.31 H new ATOM 0 HE ARG A 38 -8.652 -16.425 -25.656 1.00 2.14 H new ATOM 0 HH11 ARG A 38 -10.457 -14.629 -23.190 1.00 34.34 H new ATOM 0 HH12 ARG A 38 -12.029 -15.167 -23.790 1.00 34.34 H new ATOM 0 HH21 ARG A 38 -10.694 -17.162 -26.358 1.00 41.24 H new ATOM 0 HH22 ARG A 38 -12.161 -16.584 -25.563 1.00 41.24 H new ATOM 581 N ARG A 39 -4.983 -12.526 -20.787 1.00 13.43 N ATOM 582 CA ARG A 39 -4.503 -12.168 -19.446 1.00 31.22 C ATOM 583 C ARG A 39 -5.658 -12.180 -18.451 1.00 12.54 C ATOM 584 O ARG A 39 -5.612 -12.843 -17.417 1.00 64.51 O ATOM 585 CB ARG A 39 -3.853 -10.773 -19.438 1.00 71.22 C ATOM 586 CG ARG A 39 -2.702 -10.602 -20.425 1.00 25.23 C ATOM 587 CD ARG A 39 -1.865 -9.365 -20.106 1.00 12.21 C ATOM 588 NE ARG A 39 -2.689 -8.163 -19.938 1.00 64.14 N ATOM 589 CZ ARG A 39 -2.710 -7.419 -18.829 1.00 40.21 C ATOM 590 NH1 ARG A 39 -1.923 -7.725 -17.801 1.00 72.51 N ATOM 591 NH2 ARG A 39 -3.509 -6.361 -18.751 1.00 72.23 N ATOM 0 H ARG A 39 -4.944 -11.765 -21.465 1.00 13.43 H new ATOM 0 HA ARG A 39 -3.756 -12.907 -19.158 1.00 31.22 H new ATOM 0 HB2 ARG A 39 -4.618 -10.029 -19.660 1.00 71.22 H new ATOM 0 HB3 ARG A 39 -3.487 -10.563 -18.433 1.00 71.22 H new ATOM 0 HG2 ARG A 39 -2.067 -11.488 -20.401 1.00 25.23 H new ATOM 0 HG3 ARG A 39 -3.099 -10.522 -21.437 1.00 25.23 H new ATOM 0 HD2 ARG A 39 -1.293 -9.541 -19.195 1.00 12.21 H new ATOM 0 HD3 ARG A 39 -1.145 -9.200 -20.907 1.00 12.21 H new ATOM 0 HE ARG A 39 -3.283 -7.878 -20.717 1.00 64.14 H new ATOM 0 HH11 ARG A 39 -1.300 -8.531 -17.858 1.00 72.51 H new ATOM 0 HH12 ARG A 39 -1.942 -7.154 -16.956 1.00 72.51 H new ATOM 0 HH21 ARG A 39 -4.108 -6.115 -19.539 1.00 72.23 H new ATOM 0 HH22 ARG A 39 -3.523 -5.794 -17.903 1.00 72.23 H new ATOM 605 N THR A 40 -6.689 -11.424 -18.787 1.00 21.32 N ATOM 606 CA THR A 40 -7.874 -11.305 -17.955 1.00 31.44 C ATOM 607 C THR A 40 -8.717 -12.581 -18.022 1.00 32.23 C ATOM 608 O THR A 40 -9.257 -12.927 -19.083 1.00 70.14 O ATOM 609 CB THR A 40 -8.725 -10.095 -18.400 1.00 25.32 C ATOM 610 OG1 THR A 40 -8.953 -10.163 -19.816 1.00 2.42 O ATOM 611 CG2 THR A 40 -8.034 -8.777 -18.060 1.00 5.33 C ATOM 0 H THR A 40 -6.728 -10.875 -19.646 1.00 21.32 H new ATOM 0 HA THR A 40 -7.549 -11.155 -16.926 1.00 31.44 H new ATOM 0 HB THR A 40 -9.674 -10.132 -17.866 1.00 25.32 H new ATOM 0 HG1 THR A 40 -9.286 -11.054 -20.051 1.00 2.42 H new ATOM 0 HG21 THR A 40 -8.658 -7.945 -18.386 1.00 5.33 H new ATOM 0 HG22 THR A 40 -7.879 -8.715 -16.983 1.00 5.33 H new ATOM 0 HG23 THR A 40 -7.071 -8.729 -18.568 1.00 5.33 H new ATOM 619 N LEU A 41 -8.814 -13.284 -16.898 1.00 51.33 N ATOM 620 CA LEU A 41 -9.615 -14.498 -16.821 1.00 34.14 C ATOM 621 C LEU A 41 -11.102 -14.182 -16.907 1.00 43.22 C ATOM 622 O LEU A 41 -11.745 -13.878 -15.903 1.00 22.33 O ATOM 623 CB LEU A 41 -9.321 -15.296 -15.538 1.00 61.14 C ATOM 624 CG LEU A 41 -8.122 -16.256 -15.613 1.00 40.42 C ATOM 625 CD1 LEU A 41 -6.814 -15.498 -15.818 1.00 4.32 C ATOM 626 CD2 LEU A 41 -8.061 -17.130 -14.362 1.00 50.44 C ATOM 0 H LEU A 41 -8.346 -13.032 -16.027 1.00 51.33 H new ATOM 0 HA LEU A 41 -9.337 -15.115 -17.676 1.00 34.14 H new ATOM 0 HB2 LEU A 41 -9.149 -14.591 -14.725 1.00 61.14 H new ATOM 0 HB3 LEU A 41 -10.209 -15.872 -15.278 1.00 61.14 H new ATOM 0 HG LEU A 41 -8.261 -16.904 -16.479 1.00 40.42 H new ATOM 0 HD11 LEU A 41 -5.987 -16.206 -15.867 1.00 4.32 H new ATOM 0 HD12 LEU A 41 -6.863 -14.933 -16.749 1.00 4.32 H new ATOM 0 HD13 LEU A 41 -6.656 -14.813 -14.985 1.00 4.32 H new ATOM 0 HD21 LEU A 41 -7.207 -17.804 -14.430 1.00 50.44 H new ATOM 0 HD22 LEU A 41 -7.954 -16.497 -13.481 1.00 50.44 H new ATOM 0 HD23 LEU A 41 -8.978 -17.713 -14.281 1.00 50.44 H new ATOM 638 N THR A 42 -11.629 -14.211 -18.122 1.00 31.45 N ATOM 639 CA THR A 42 -13.067 -14.180 -18.326 1.00 23.21 C ATOM 640 C THR A 42 -13.633 -15.571 -18.051 1.00 63.23 C ATOM 641 O THR A 42 -12.869 -16.506 -17.794 1.00 44.05 O ATOM 642 CB THR A 42 -13.436 -13.725 -19.760 1.00 20.41 C ATOM 643 OG1 THR A 42 -14.861 -13.718 -19.924 1.00 73.40 O ATOM 644 CG2 THR A 42 -12.800 -14.634 -20.809 1.00 34.51 C ATOM 0 H THR A 42 -11.081 -14.256 -18.981 1.00 31.45 H new ATOM 0 HA THR A 42 -13.500 -13.454 -17.638 1.00 23.21 H new ATOM 0 HB THR A 42 -13.049 -12.716 -19.902 1.00 20.41 H new ATOM 0 HG1 THR A 42 -15.269 -13.176 -19.217 1.00 73.40 H new ATOM 0 HG21 THR A 42 -13.077 -14.289 -21.805 1.00 34.51 H new ATOM 0 HG22 THR A 42 -11.715 -14.607 -20.704 1.00 34.51 H new ATOM 0 HG23 THR A 42 -13.153 -15.656 -20.667 1.00 34.51 H new ATOM 652 N GLU A 43 -14.949 -15.715 -18.137 1.00 15.15 N ATOM 653 CA GLU A 43 -15.621 -16.975 -17.811 1.00 71.31 C ATOM 654 C GLU A 43 -14.959 -18.146 -18.544 1.00 12.12 C ATOM 655 O GLU A 43 -14.795 -19.232 -17.982 1.00 32.21 O ATOM 656 CB GLU A 43 -17.108 -16.884 -18.182 1.00 43.41 C ATOM 657 CG GLU A 43 -17.950 -18.076 -17.728 1.00 4.44 C ATOM 658 CD GLU A 43 -17.871 -18.339 -16.228 1.00 44.01 C ATOM 659 OE1 GLU A 43 -18.099 -17.396 -15.440 1.00 20.13 O ATOM 660 OE2 GLU A 43 -17.585 -19.493 -15.834 1.00 43.34 O ATOM 0 H GLU A 43 -15.580 -14.970 -18.432 1.00 15.15 H new ATOM 0 HA GLU A 43 -15.533 -17.151 -16.739 1.00 71.31 H new ATOM 0 HB2 GLU A 43 -17.523 -15.975 -17.746 1.00 43.41 H new ATOM 0 HB3 GLU A 43 -17.194 -16.786 -19.264 1.00 43.41 H new ATOM 0 HG2 GLU A 43 -18.990 -17.903 -18.004 1.00 4.44 H new ATOM 0 HG3 GLU A 43 -17.622 -18.967 -18.263 1.00 4.44 H new ATOM 667 N GLU A 44 -14.524 -17.890 -19.780 1.00 24.15 N ATOM 668 CA GLU A 44 -13.901 -18.917 -20.608 1.00 42.15 C ATOM 669 C GLU A 44 -12.684 -19.480 -19.889 1.00 51.42 C ATOM 670 O GLU A 44 -12.539 -20.693 -19.689 1.00 31.32 O ATOM 671 CB GLU A 44 -13.444 -18.320 -21.948 1.00 42.11 C ATOM 672 CG GLU A 44 -14.536 -17.621 -22.745 1.00 54.42 C ATOM 673 CD GLU A 44 -13.969 -16.879 -23.944 1.00 75.51 C ATOM 674 OE1 GLU A 44 -13.705 -17.523 -24.981 1.00 0.14 O ATOM 675 OE2 GLU A 44 -13.758 -15.651 -23.845 1.00 13.55 O ATOM 0 H GLU A 44 -14.594 -16.976 -20.228 1.00 24.15 H new ATOM 0 HA GLU A 44 -14.632 -19.705 -20.791 1.00 42.15 H new ATOM 0 HB2 GLU A 44 -12.642 -17.607 -21.757 1.00 42.11 H new ATOM 0 HB3 GLU A 44 -13.023 -19.118 -22.559 1.00 42.11 H new ATOM 0 HG2 GLU A 44 -15.266 -18.356 -23.084 1.00 54.42 H new ATOM 0 HG3 GLU A 44 -15.065 -16.920 -22.100 1.00 54.42 H new ATOM 682 N GLN A 45 -11.836 -18.551 -19.473 1.00 31.04 N ATOM 683 CA GLN A 45 -10.563 -18.866 -18.857 1.00 14.15 C ATOM 684 C GLN A 45 -10.777 -19.519 -17.506 1.00 53.01 C ATOM 685 O GLN A 45 -10.051 -20.431 -17.131 1.00 14.13 O ATOM 686 CB GLN A 45 -9.746 -17.583 -18.705 1.00 51.21 C ATOM 687 CG GLN A 45 -9.617 -16.792 -20.000 1.00 30.54 C ATOM 688 CD GLN A 45 -8.888 -17.562 -21.086 1.00 41.25 C ATOM 689 OE1 GLN A 45 -9.506 -18.227 -21.917 1.00 64.40 O ATOM 690 NE2 GLN A 45 -7.567 -17.494 -21.074 1.00 1.34 N ATOM 0 H GLN A 45 -12.017 -17.551 -19.556 1.00 31.04 H new ATOM 0 HA GLN A 45 -10.019 -19.567 -19.490 1.00 14.15 H new ATOM 0 HB2 GLN A 45 -10.211 -16.952 -17.947 1.00 51.21 H new ATOM 0 HB3 GLN A 45 -8.750 -17.836 -18.342 1.00 51.21 H new ATOM 0 HG2 GLN A 45 -10.611 -16.522 -20.357 1.00 30.54 H new ATOM 0 HG3 GLN A 45 -9.086 -15.861 -19.801 1.00 30.54 H new ATOM 0 HE21 GLN A 45 -7.092 -16.931 -20.368 1.00 1.34 H new ATOM 0 HE22 GLN A 45 -7.024 -18.004 -21.770 1.00 1.34 H new ATOM 699 N VAL A 46 -11.796 -19.060 -16.790 1.00 64.44 N ATOM 700 CA VAL A 46 -12.091 -19.591 -15.472 1.00 2.55 C ATOM 701 C VAL A 46 -12.448 -21.069 -15.585 1.00 12.42 C ATOM 702 O VAL A 46 -11.918 -21.907 -14.852 1.00 73.15 O ATOM 703 CB VAL A 46 -13.245 -18.815 -14.784 1.00 31.43 C ATOM 704 CG1 VAL A 46 -13.509 -19.361 -13.384 1.00 64.04 C ATOM 705 CG2 VAL A 46 -12.933 -17.319 -14.730 1.00 15.10 C ATOM 0 H VAL A 46 -12.429 -18.323 -17.102 1.00 64.44 H new ATOM 0 HA VAL A 46 -11.202 -19.472 -14.853 1.00 2.55 H new ATOM 0 HB VAL A 46 -14.148 -18.955 -15.378 1.00 31.43 H new ATOM 0 HG11 VAL A 46 -14.322 -18.801 -12.922 1.00 64.04 H new ATOM 0 HG12 VAL A 46 -13.785 -20.413 -13.450 1.00 64.04 H new ATOM 0 HG13 VAL A 46 -12.609 -19.259 -12.778 1.00 64.04 H new ATOM 0 HG21 VAL A 46 -13.755 -16.793 -14.244 1.00 15.10 H new ATOM 0 HG22 VAL A 46 -12.015 -17.159 -14.165 1.00 15.10 H new ATOM 0 HG23 VAL A 46 -12.807 -16.937 -15.743 1.00 15.10 H new ATOM 715 N GLN A 47 -13.323 -21.390 -16.539 1.00 74.22 N ATOM 716 CA GLN A 47 -13.729 -22.775 -16.770 1.00 73.34 C ATOM 717 C GLN A 47 -12.554 -23.613 -17.253 1.00 25.01 C ATOM 718 O GLN A 47 -12.410 -24.771 -16.874 1.00 54.32 O ATOM 719 CB GLN A 47 -14.871 -22.850 -17.785 1.00 71.34 C ATOM 720 CG GLN A 47 -16.063 -22.000 -17.395 1.00 23.23 C ATOM 721 CD GLN A 47 -17.372 -22.500 -17.988 1.00 21.44 C ATOM 722 OE1 GLN A 47 -17.544 -23.697 -18.239 1.00 4.54 O ATOM 723 NE2 GLN A 47 -18.311 -21.595 -18.196 1.00 3.44 N ATOM 0 H GLN A 47 -13.762 -20.712 -17.162 1.00 74.22 H new ATOM 0 HA GLN A 47 -14.079 -23.177 -15.819 1.00 73.34 H new ATOM 0 HB2 GLN A 47 -14.505 -22.528 -18.760 1.00 71.34 H new ATOM 0 HB3 GLN A 47 -15.189 -23.887 -17.890 1.00 71.34 H new ATOM 0 HG2 GLN A 47 -16.147 -21.980 -16.308 1.00 23.23 H new ATOM 0 HG3 GLN A 47 -15.892 -20.974 -17.720 1.00 23.23 H new ATOM 0 HE21 GLN A 47 -18.132 -20.615 -17.976 1.00 3.44 H new ATOM 0 HE22 GLN A 47 -19.215 -21.876 -18.576 1.00 3.44 H new ATOM 732 N GLU A 48 -11.723 -23.019 -18.090 1.00 35.04 N ATOM 733 CA GLU A 48 -10.517 -23.687 -18.578 1.00 64.51 C ATOM 734 C GLU A 48 -9.596 -24.065 -17.404 1.00 55.04 C ATOM 735 O GLU A 48 -9.194 -25.236 -17.256 1.00 73.40 O ATOM 736 CB GLU A 48 -9.800 -22.783 -19.596 1.00 43.20 C ATOM 737 CG GLU A 48 -8.283 -22.815 -19.506 1.00 42.23 C ATOM 738 CD GLU A 48 -7.611 -22.080 -20.652 1.00 41.42 C ATOM 739 OE1 GLU A 48 -7.628 -20.834 -20.665 1.00 51.14 O ATOM 740 OE2 GLU A 48 -7.065 -22.752 -21.554 1.00 52.21 O ATOM 0 H GLU A 48 -11.856 -22.074 -18.450 1.00 35.04 H new ATOM 0 HA GLU A 48 -10.795 -24.613 -19.082 1.00 64.51 H new ATOM 0 HB2 GLU A 48 -10.098 -23.081 -20.601 1.00 43.20 H new ATOM 0 HB3 GLU A 48 -10.139 -21.757 -19.454 1.00 43.20 H new ATOM 0 HG2 GLU A 48 -7.970 -22.370 -18.561 1.00 42.23 H new ATOM 0 HG3 GLU A 48 -7.946 -23.851 -19.497 1.00 42.23 H new ATOM 747 N VAL A 49 -9.290 -23.074 -16.567 1.00 34.21 N ATOM 748 CA VAL A 49 -8.438 -23.272 -15.401 1.00 32.22 C ATOM 749 C VAL A 49 -8.986 -24.390 -14.526 1.00 34.13 C ATOM 750 O VAL A 49 -8.285 -25.354 -14.237 1.00 25.13 O ATOM 751 CB VAL A 49 -8.310 -21.973 -14.559 1.00 3.23 C ATOM 752 CG1 VAL A 49 -7.547 -22.233 -13.259 1.00 62.33 C ATOM 753 CG2 VAL A 49 -7.628 -20.876 -15.372 1.00 71.11 C ATOM 0 H VAL A 49 -9.625 -22.117 -16.679 1.00 34.21 H new ATOM 0 HA VAL A 49 -7.448 -23.545 -15.765 1.00 32.22 H new ATOM 0 HB VAL A 49 -9.314 -21.639 -14.297 1.00 3.23 H new ATOM 0 HG11 VAL A 49 -7.472 -21.307 -12.689 1.00 62.33 H new ATOM 0 HG12 VAL A 49 -8.078 -22.980 -12.669 1.00 62.33 H new ATOM 0 HG13 VAL A 49 -6.546 -22.598 -13.491 1.00 62.33 H new ATOM 0 HG21 VAL A 49 -7.546 -19.973 -14.768 1.00 71.11 H new ATOM 0 HG22 VAL A 49 -6.632 -21.207 -15.666 1.00 71.11 H new ATOM 0 HG23 VAL A 49 -8.218 -20.664 -16.264 1.00 71.11 H new ATOM 763 N VAL A 50 -10.250 -24.263 -14.133 1.00 60.22 N ATOM 764 CA VAL A 50 -10.901 -25.250 -13.275 1.00 11.40 C ATOM 765 C VAL A 50 -10.979 -26.615 -13.961 1.00 72.34 C ATOM 766 O VAL A 50 -10.879 -27.652 -13.304 1.00 53.42 O ATOM 767 CB VAL A 50 -12.315 -24.780 -12.846 1.00 41.25 C ATOM 768 CG1 VAL A 50 -12.243 -23.373 -12.264 1.00 15.52 C ATOM 769 CG2 VAL A 50 -13.316 -24.840 -13.994 1.00 15.52 C ATOM 0 H VAL A 50 -10.848 -23.480 -14.397 1.00 60.22 H new ATOM 0 HA VAL A 50 -10.290 -25.352 -12.378 1.00 11.40 H new ATOM 0 HB VAL A 50 -12.673 -25.467 -12.079 1.00 41.25 H new ATOM 0 HG11 VAL A 50 -13.241 -23.051 -11.965 1.00 15.52 H new ATOM 0 HG12 VAL A 50 -11.586 -23.372 -11.394 1.00 15.52 H new ATOM 0 HG13 VAL A 50 -11.851 -22.688 -13.016 1.00 15.52 H new ATOM 0 HG21 VAL A 50 -14.291 -24.501 -13.644 1.00 15.52 H new ATOM 0 HG22 VAL A 50 -12.978 -24.196 -14.806 1.00 15.52 H new ATOM 0 HG23 VAL A 50 -13.396 -25.866 -14.354 1.00 15.52 H new ATOM 779 N ALA A 51 -11.130 -26.606 -15.286 1.00 31.45 N ATOM 780 CA ALA A 51 -11.187 -27.842 -16.061 1.00 42.34 C ATOM 781 C ALA A 51 -9.885 -28.621 -15.911 1.00 31.41 C ATOM 782 O ALA A 51 -9.896 -29.832 -15.692 1.00 25.24 O ATOM 783 CB ALA A 51 -11.477 -27.552 -17.533 1.00 44.10 C ATOM 0 H ALA A 51 -11.215 -25.756 -15.843 1.00 31.45 H new ATOM 0 HA ALA A 51 -12.003 -28.452 -15.673 1.00 42.34 H new ATOM 0 HB1 ALA A 51 -11.514 -28.489 -18.088 1.00 44.10 H new ATOM 0 HB2 ALA A 51 -12.435 -27.040 -17.621 1.00 44.10 H new ATOM 0 HB3 ALA A 51 -10.689 -26.920 -17.941 1.00 44.10 H new ATOM 789 N LYS A 52 -8.760 -27.921 -16.021 1.00 53.45 N ATOM 790 CA LYS A 52 -7.455 -28.552 -15.803 1.00 42.14 C ATOM 791 C LYS A 52 -7.227 -28.794 -14.307 1.00 3.33 C ATOM 792 O LYS A 52 -6.620 -29.789 -13.907 1.00 33.40 O ATOM 793 CB LYS A 52 -6.328 -27.675 -16.380 1.00 40.33 C ATOM 794 CG LYS A 52 -4.910 -28.248 -16.224 1.00 30.34 C ATOM 795 CD LYS A 52 -4.559 -29.313 -17.276 1.00 44.14 C ATOM 796 CE LYS A 52 -5.273 -30.644 -17.048 1.00 31.32 C ATOM 797 NZ LYS A 52 -4.901 -31.656 -18.075 1.00 11.24 N ATOM 0 H LYS A 52 -8.721 -26.929 -16.256 1.00 53.45 H new ATOM 0 HA LYS A 52 -7.444 -29.512 -16.319 1.00 42.14 H new ATOM 0 HB2 LYS A 52 -6.522 -27.512 -17.440 1.00 40.33 H new ATOM 0 HB3 LYS A 52 -6.364 -26.699 -15.895 1.00 40.33 H new ATOM 0 HG2 LYS A 52 -4.189 -27.433 -16.289 1.00 30.34 H new ATOM 0 HG3 LYS A 52 -4.810 -28.684 -15.230 1.00 30.34 H new ATOM 0 HD2 LYS A 52 -4.816 -28.935 -18.266 1.00 44.14 H new ATOM 0 HD3 LYS A 52 -3.482 -29.480 -17.269 1.00 44.14 H new ATOM 0 HE2 LYS A 52 -5.025 -31.024 -16.057 1.00 31.32 H new ATOM 0 HE3 LYS A 52 -6.351 -30.486 -17.068 1.00 31.32 H new ATOM 0 HZ1 LYS A 52 -5.406 -32.545 -17.885 1.00 11.24 H new ATOM 0 HZ2 LYS A 52 -5.161 -31.305 -19.019 1.00 11.24 H new ATOM 0 HZ3 LYS A 52 -3.876 -31.826 -18.039 1.00 11.24 H new ATOM 811 N LEU A 53 -7.759 -27.891 -13.492 1.00 5.45 N ATOM 812 CA LEU A 53 -7.536 -27.893 -12.046 1.00 72.44 C ATOM 813 C LEU A 53 -8.197 -29.114 -11.397 1.00 43.14 C ATOM 814 O LEU A 53 -7.814 -29.527 -10.304 1.00 30.51 O ATOM 815 CB LEU A 53 -8.075 -26.570 -11.454 1.00 61.32 C ATOM 816 CG LEU A 53 -7.517 -26.124 -10.084 1.00 62.23 C ATOM 817 CD1 LEU A 53 -8.160 -26.890 -8.930 1.00 3.31 C ATOM 818 CD2 LEU A 53 -5.999 -26.274 -10.039 1.00 15.34 C ATOM 0 H LEU A 53 -8.360 -27.132 -13.814 1.00 5.45 H new ATOM 0 HA LEU A 53 -6.468 -27.962 -11.838 1.00 72.44 H new ATOM 0 HB2 LEU A 53 -7.878 -25.775 -12.173 1.00 61.32 H new ATOM 0 HB3 LEU A 53 -9.158 -26.658 -11.364 1.00 61.32 H new ATOM 0 HG LEU A 53 -7.769 -25.070 -9.964 1.00 62.23 H new ATOM 0 HD11 LEU A 53 -7.739 -26.545 -7.985 1.00 3.31 H new ATOM 0 HD12 LEU A 53 -9.236 -26.716 -8.933 1.00 3.31 H new ATOM 0 HD13 LEU A 53 -7.964 -27.956 -9.047 1.00 3.31 H new ATOM 0 HD21 LEU A 53 -5.630 -25.954 -9.065 1.00 15.34 H new ATOM 0 HD22 LEU A 53 -5.732 -27.318 -10.203 1.00 15.34 H new ATOM 0 HD23 LEU A 53 -5.549 -25.658 -10.817 1.00 15.34 H new ATOM 830 N THR A 54 -9.164 -29.717 -12.088 1.00 2.31 N ATOM 831 CA THR A 54 -9.839 -30.906 -11.572 1.00 74.25 C ATOM 832 C THR A 54 -8.946 -32.142 -11.707 1.00 12.24 C ATOM 833 O THR A 54 -9.317 -33.237 -11.280 1.00 11.50 O ATOM 834 CB THR A 54 -11.191 -31.157 -12.289 1.00 54.25 C ATOM 835 OG1 THR A 54 -11.012 -31.150 -13.713 1.00 2.43 O ATOM 836 CG2 THR A 54 -12.227 -30.106 -11.897 1.00 33.32 C ATOM 0 H THR A 54 -9.495 -29.404 -13.000 1.00 2.31 H new ATOM 0 HA THR A 54 -10.042 -30.724 -10.517 1.00 74.25 H new ATOM 0 HB THR A 54 -11.555 -32.136 -11.976 1.00 54.25 H new ATOM 0 HG1 THR A 54 -10.761 -30.249 -14.007 1.00 2.43 H new ATOM 0 HG21 THR A 54 -13.164 -30.308 -12.415 1.00 33.32 H new ATOM 0 HG22 THR A 54 -12.393 -30.142 -10.820 1.00 33.32 H new ATOM 0 HG23 THR A 54 -11.865 -29.116 -12.175 1.00 33.32 H new ATOM 844 N ASP A 55 -7.767 -31.954 -12.298 1.00 13.25 N ATOM 845 CA ASP A 55 -6.762 -33.011 -12.384 1.00 1.54 C ATOM 846 C ASP A 55 -5.657 -32.755 -11.357 1.00 20.51 C ATOM 847 O ASP A 55 -4.740 -31.965 -11.603 1.00 75.23 O ATOM 848 CB ASP A 55 -6.172 -33.092 -13.799 1.00 3.22 C ATOM 849 CG ASP A 55 -7.151 -33.680 -14.804 1.00 40.30 C ATOM 850 OD1 ASP A 55 -7.364 -34.909 -14.778 1.00 74.12 O ATOM 851 OD2 ASP A 55 -7.700 -32.922 -15.634 1.00 52.23 O ATOM 0 H ASP A 55 -7.484 -31.073 -12.727 1.00 13.25 H new ATOM 0 HA ASP A 55 -7.239 -33.966 -12.166 1.00 1.54 H new ATOM 0 HB2 ASP A 55 -5.877 -32.094 -14.124 1.00 3.22 H new ATOM 0 HB3 ASP A 55 -5.268 -33.700 -13.778 1.00 3.22 H new ATOM 856 N PRO A 56 -5.731 -33.420 -10.185 1.00 62.43 N ATOM 857 CA PRO A 56 -4.819 -33.151 -9.063 1.00 43.13 C ATOM 858 C PRO A 56 -3.386 -33.614 -9.336 1.00 2.34 C ATOM 859 O PRO A 56 -2.426 -32.983 -8.885 1.00 53.10 O ATOM 860 CB PRO A 56 -5.434 -33.947 -7.905 1.00 74.10 C ATOM 861 CG PRO A 56 -6.186 -35.056 -8.566 1.00 74.41 C ATOM 862 CD PRO A 56 -6.701 -34.492 -9.865 1.00 55.11 C ATOM 0 HA PRO A 56 -4.729 -32.083 -8.865 1.00 43.13 H new ATOM 0 HB2 PRO A 56 -4.664 -34.333 -7.237 1.00 74.10 H new ATOM 0 HB3 PRO A 56 -6.095 -33.324 -7.303 1.00 74.10 H new ATOM 0 HG2 PRO A 56 -5.539 -35.915 -8.743 1.00 74.41 H new ATOM 0 HG3 PRO A 56 -7.007 -35.400 -7.937 1.00 74.41 H new ATOM 0 HD2 PRO A 56 -6.733 -35.251 -10.647 1.00 55.11 H new ATOM 0 HD3 PRO A 56 -7.712 -34.100 -9.759 1.00 55.11 H new ATOM 870 N GLU A 57 -3.249 -34.710 -10.082 1.00 53.21 N ATOM 871 CA GLU A 57 -1.938 -35.287 -10.375 1.00 31.20 C ATOM 872 C GLU A 57 -1.027 -34.254 -11.032 1.00 11.32 C ATOM 873 O GLU A 57 0.101 -34.028 -10.584 1.00 40.10 O ATOM 874 CB GLU A 57 -2.080 -36.512 -11.290 1.00 11.23 C ATOM 875 CG GLU A 57 -0.744 -37.118 -11.713 1.00 74.52 C ATOM 876 CD GLU A 57 -0.901 -38.249 -12.714 1.00 43.42 C ATOM 877 OE1 GLU A 57 -1.035 -37.966 -13.925 1.00 15.41 O ATOM 878 OE2 GLU A 57 -0.888 -39.425 -12.303 1.00 10.41 O ATOM 0 H GLU A 57 -4.032 -35.217 -10.495 1.00 53.21 H new ATOM 0 HA GLU A 57 -1.490 -35.600 -9.432 1.00 31.20 H new ATOM 0 HB2 GLU A 57 -2.668 -37.273 -10.776 1.00 11.23 H new ATOM 0 HB3 GLU A 57 -2.638 -36.226 -12.182 1.00 11.23 H new ATOM 0 HG2 GLU A 57 -0.118 -36.339 -12.148 1.00 74.52 H new ATOM 0 HG3 GLU A 57 -0.223 -37.490 -10.831 1.00 74.52 H new ATOM 885 N SER A 58 -1.528 -33.620 -12.086 1.00 43.04 N ATOM 886 CA SER A 58 -0.754 -32.628 -12.818 1.00 14.11 C ATOM 887 C SER A 58 -0.373 -31.469 -11.899 1.00 64.34 C ATOM 888 O SER A 58 0.802 -31.114 -11.798 1.00 15.34 O ATOM 889 CB SER A 58 -1.539 -32.115 -14.033 1.00 53.34 C ATOM 890 OG SER A 58 -0.750 -31.239 -14.823 1.00 0.11 O ATOM 0 H SER A 58 -2.467 -33.776 -12.452 1.00 43.04 H new ATOM 0 HA SER A 58 0.159 -33.102 -13.178 1.00 14.11 H new ATOM 0 HB2 SER A 58 -1.867 -32.959 -14.639 1.00 53.34 H new ATOM 0 HB3 SER A 58 -2.436 -31.596 -13.696 1.00 53.34 H new ATOM 0 HG SER A 58 -1.274 -30.929 -15.591 1.00 0.11 H new ATOM 896 N SER A 59 -1.370 -30.919 -11.203 1.00 11.31 N ATOM 897 CA SER A 59 -1.162 -29.779 -10.311 1.00 64.13 C ATOM 898 C SER A 59 -0.058 -30.085 -9.294 1.00 74.10 C ATOM 899 O SER A 59 0.927 -29.343 -9.178 1.00 53.43 O ATOM 900 CB SER A 59 -2.472 -29.433 -9.588 1.00 5.10 C ATOM 901 OG SER A 59 -2.324 -28.293 -8.760 1.00 31.55 O ATOM 0 H SER A 59 -2.335 -31.248 -11.241 1.00 11.31 H new ATOM 0 HA SER A 59 -0.850 -28.922 -10.908 1.00 64.13 H new ATOM 0 HB2 SER A 59 -3.257 -29.251 -10.322 1.00 5.10 H new ATOM 0 HB3 SER A 59 -2.791 -30.283 -8.985 1.00 5.10 H new ATOM 0 HG SER A 59 -3.099 -28.219 -8.164 1.00 31.55 H new ATOM 907 N ALA A 60 -0.210 -31.206 -8.595 1.00 52.35 N ATOM 908 CA ALA A 60 0.746 -31.621 -7.577 1.00 44.05 C ATOM 909 C ALA A 60 2.140 -31.818 -8.168 1.00 65.01 C ATOM 910 O ALA A 60 3.146 -31.663 -7.474 1.00 55.43 O ATOM 911 CB ALA A 60 0.272 -32.901 -6.896 1.00 33.33 C ATOM 0 H ALA A 60 -0.994 -31.847 -8.718 1.00 52.35 H new ATOM 0 HA ALA A 60 0.809 -30.826 -6.833 1.00 44.05 H new ATOM 0 HB1 ALA A 60 0.996 -33.199 -6.138 1.00 33.33 H new ATOM 0 HB2 ALA A 60 -0.695 -32.726 -6.425 1.00 33.33 H new ATOM 0 HB3 ALA A 60 0.176 -33.694 -7.638 1.00 33.33 H new ATOM 917 N GLN A 61 2.194 -32.156 -9.453 1.00 51.35 N ATOM 918 CA GLN A 61 3.463 -32.399 -10.132 1.00 31.01 C ATOM 919 C GLN A 61 4.071 -31.092 -10.648 1.00 42.21 C ATOM 920 O GLN A 61 5.287 -30.989 -10.810 1.00 61.11 O ATOM 921 CB GLN A 61 3.247 -33.374 -11.303 1.00 62.35 C ATOM 922 CG GLN A 61 4.522 -33.747 -12.054 1.00 12.53 C ATOM 923 CD GLN A 61 4.255 -34.554 -13.312 1.00 33.44 C ATOM 924 OE1 GLN A 61 3.216 -34.401 -13.959 1.00 35.13 O ATOM 925 NE2 GLN A 61 5.196 -35.409 -13.675 1.00 62.21 N ATOM 0 H GLN A 61 1.372 -32.268 -10.046 1.00 51.35 H new ATOM 0 HA GLN A 61 4.157 -32.837 -9.415 1.00 31.01 H new ATOM 0 HB2 GLN A 61 2.785 -34.284 -10.922 1.00 62.35 H new ATOM 0 HB3 GLN A 61 2.543 -32.929 -12.006 1.00 62.35 H new ATOM 0 HG2 GLN A 61 5.060 -32.837 -12.320 1.00 12.53 H new ATOM 0 HG3 GLN A 61 5.172 -34.320 -11.393 1.00 12.53 H new ATOM 0 HE21 GLN A 61 6.041 -35.506 -13.112 1.00 62.21 H new ATOM 0 HE22 GLN A 61 5.077 -35.971 -14.518 1.00 62.21 H new ATOM 934 N ILE A 62 3.224 -30.090 -10.888 1.00 4.23 N ATOM 935 CA ILE A 62 3.686 -28.810 -11.426 1.00 32.12 C ATOM 936 C ILE A 62 4.514 -28.040 -10.398 1.00 0.54 C ATOM 937 O ILE A 62 5.627 -27.597 -10.692 1.00 12.44 O ATOM 938 CB ILE A 62 2.500 -27.923 -11.902 1.00 60.44 C ATOM 939 CG1 ILE A 62 1.796 -28.574 -13.107 1.00 42.11 C ATOM 940 CG2 ILE A 62 2.978 -26.511 -12.254 1.00 4.10 C ATOM 941 CD1 ILE A 62 0.578 -27.814 -13.595 1.00 43.34 C ATOM 0 H ILE A 62 2.219 -30.139 -10.719 1.00 4.23 H new ATOM 0 HA ILE A 62 4.314 -29.043 -12.286 1.00 32.12 H new ATOM 0 HB ILE A 62 1.785 -27.841 -11.084 1.00 60.44 H new ATOM 0 HG12 ILE A 62 2.509 -28.662 -13.927 1.00 42.11 H new ATOM 0 HG13 ILE A 62 1.495 -29.586 -12.836 1.00 42.11 H new ATOM 0 HG21 ILE A 62 2.130 -25.911 -12.584 1.00 4.10 H new ATOM 0 HG22 ILE A 62 3.429 -26.050 -11.375 1.00 4.10 H new ATOM 0 HG23 ILE A 62 3.716 -26.566 -13.054 1.00 4.10 H new ATOM 0 HD11 ILE A 62 0.139 -28.337 -14.445 1.00 43.34 H new ATOM 0 HD12 ILE A 62 -0.156 -27.748 -12.792 1.00 43.34 H new ATOM 0 HD13 ILE A 62 0.874 -26.810 -13.900 1.00 43.34 H new ATOM 953 N ASP A 63 3.977 -27.897 -9.188 1.00 4.21 N ATOM 954 CA ASP A 63 4.630 -27.087 -8.153 1.00 24.12 C ATOM 955 C ASP A 63 5.303 -27.972 -7.103 1.00 32.11 C ATOM 956 O ASP A 63 6.124 -27.500 -6.315 1.00 51.03 O ATOM 957 CB ASP A 63 3.612 -26.146 -7.489 1.00 63.41 C ATOM 958 CG ASP A 63 4.279 -25.059 -6.650 1.00 3.22 C ATOM 959 OD1 ASP A 63 4.874 -24.130 -7.238 1.00 1.22 O ATOM 960 OD2 ASP A 63 4.217 -25.118 -5.406 1.00 51.45 O ATOM 0 H ASP A 63 3.098 -28.326 -8.898 1.00 4.21 H new ATOM 0 HA ASP A 63 5.403 -26.486 -8.632 1.00 24.12 H new ATOM 0 HB2 ASP A 63 2.997 -25.680 -8.259 1.00 63.41 H new ATOM 0 HB3 ASP A 63 2.943 -26.729 -6.856 1.00 63.41 H new ATOM 965 N GLY A 64 4.975 -29.261 -7.111 1.00 4.34 N ATOM 966 CA GLY A 64 5.544 -30.187 -6.140 1.00 4.15 C ATOM 967 C GLY A 64 4.800 -30.157 -4.818 1.00 21.32 C ATOM 968 O GLY A 64 5.396 -30.336 -3.751 1.00 74.55 O ATOM 0 H GLY A 64 4.324 -29.684 -7.773 1.00 4.34 H new ATOM 0 HA2 GLY A 64 5.519 -31.198 -6.546 1.00 4.15 H new ATOM 0 HA3 GLY A 64 6.591 -29.937 -5.972 1.00 4.15 H new ATOM 972 N VAL A 65 3.495 -29.922 -4.895 1.00 53.23 N ATOM 973 CA VAL A 65 2.637 -29.858 -3.716 1.00 5.12 C ATOM 974 C VAL A 65 1.175 -29.752 -4.142 1.00 22.24 C ATOM 975 O VAL A 65 0.872 -29.181 -5.191 1.00 34.45 O ATOM 976 CB VAL A 65 3.000 -28.647 -2.810 1.00 20.52 C ATOM 977 CG1 VAL A 65 2.850 -27.332 -3.570 1.00 63.22 C ATOM 978 CG2 VAL A 65 2.150 -28.631 -1.537 1.00 11.54 C ATOM 0 H VAL A 65 3.002 -29.771 -5.775 1.00 53.23 H new ATOM 0 HA VAL A 65 2.792 -30.772 -3.143 1.00 5.12 H new ATOM 0 HB VAL A 65 4.044 -28.757 -2.517 1.00 20.52 H new ATOM 0 HG11 VAL A 65 3.110 -26.501 -2.914 1.00 63.22 H new ATOM 0 HG12 VAL A 65 3.514 -27.333 -4.434 1.00 63.22 H new ATOM 0 HG13 VAL A 65 1.819 -27.221 -3.905 1.00 63.22 H new ATOM 0 HG21 VAL A 65 2.428 -27.773 -0.925 1.00 11.54 H new ATOM 0 HG22 VAL A 65 1.096 -28.560 -1.804 1.00 11.54 H new ATOM 0 HG23 VAL A 65 2.321 -29.549 -0.974 1.00 11.54 H new ATOM 988 N VAL A 66 0.281 -30.325 -3.344 1.00 30.32 N ATOM 989 CA VAL A 66 -1.152 -30.178 -3.567 1.00 1.42 C ATOM 990 C VAL A 66 -1.773 -29.390 -2.412 1.00 32.13 C ATOM 991 O VAL A 66 -1.955 -29.907 -1.307 1.00 51.15 O ATOM 992 CB VAL A 66 -1.859 -31.551 -3.746 1.00 14.41 C ATOM 993 CG1 VAL A 66 -1.570 -32.488 -2.571 1.00 5.23 C ATOM 994 CG2 VAL A 66 -3.363 -31.357 -3.949 1.00 34.45 C ATOM 0 H VAL A 66 0.524 -30.897 -2.535 1.00 30.32 H new ATOM 0 HA VAL A 66 -1.296 -29.628 -4.497 1.00 1.42 H new ATOM 0 HB VAL A 66 -1.454 -32.025 -4.640 1.00 14.41 H new ATOM 0 HG11 VAL A 66 -2.080 -33.438 -2.729 1.00 5.23 H new ATOM 0 HG12 VAL A 66 -0.496 -32.660 -2.498 1.00 5.23 H new ATOM 0 HG13 VAL A 66 -1.928 -32.034 -1.647 1.00 5.23 H new ATOM 0 HG21 VAL A 66 -3.842 -32.328 -4.073 1.00 34.45 H new ATOM 0 HG22 VAL A 66 -3.785 -30.852 -3.080 1.00 34.45 H new ATOM 0 HG23 VAL A 66 -3.535 -30.752 -4.839 1.00 34.45 H new ATOM 1004 N SER A 67 -2.037 -28.117 -2.660 1.00 53.53 N ATOM 1005 CA SER A 67 -2.583 -27.218 -1.653 1.00 63.30 C ATOM 1006 C SER A 67 -3.528 -26.216 -2.313 1.00 25.11 C ATOM 1007 O SER A 67 -3.504 -26.056 -3.530 1.00 45.11 O ATOM 1008 CB SER A 67 -1.436 -26.508 -0.922 1.00 44.10 C ATOM 1009 OG SER A 67 -1.910 -25.505 -0.039 1.00 1.41 O ATOM 0 H SER A 67 -1.879 -27.676 -3.566 1.00 53.53 H new ATOM 0 HA SER A 67 -3.154 -27.787 -0.919 1.00 63.30 H new ATOM 0 HB2 SER A 67 -0.855 -27.240 -0.361 1.00 44.10 H new ATOM 0 HB3 SER A 67 -0.763 -26.059 -1.653 1.00 44.10 H new ATOM 0 HG SER A 67 -1.617 -24.625 -0.356 1.00 1.41 H new ATOM 1015 N LYS A 68 -4.341 -25.535 -1.508 1.00 41.35 N ATOM 1016 CA LYS A 68 -5.373 -24.628 -2.023 1.00 53.40 C ATOM 1017 C LYS A 68 -4.772 -23.497 -2.871 1.00 61.41 C ATOM 1018 O LYS A 68 -5.453 -22.920 -3.718 1.00 72.23 O ATOM 1019 CB LYS A 68 -6.201 -24.050 -0.863 1.00 10.32 C ATOM 1020 CG LYS A 68 -7.346 -23.139 -1.310 1.00 71.13 C ATOM 1021 CD LYS A 68 -8.217 -22.667 -0.141 1.00 22.42 C ATOM 1022 CE LYS A 68 -9.175 -23.754 0.359 1.00 22.41 C ATOM 1023 NZ LYS A 68 -8.474 -24.906 0.989 1.00 5.02 N ATOM 0 H LYS A 68 -4.307 -25.593 -0.490 1.00 41.35 H new ATOM 0 HA LYS A 68 -6.027 -25.209 -2.673 1.00 53.40 H new ATOM 0 HB2 LYS A 68 -6.612 -24.873 -0.278 1.00 10.32 H new ATOM 0 HB3 LYS A 68 -5.540 -23.489 -0.203 1.00 10.32 H new ATOM 0 HG2 LYS A 68 -6.934 -22.271 -1.825 1.00 71.13 H new ATOM 0 HG3 LYS A 68 -7.968 -23.671 -2.030 1.00 71.13 H new ATOM 0 HD2 LYS A 68 -7.575 -22.349 0.680 1.00 22.42 H new ATOM 0 HD3 LYS A 68 -8.793 -21.795 -0.451 1.00 22.42 H new ATOM 0 HE2 LYS A 68 -9.865 -23.317 1.081 1.00 22.41 H new ATOM 0 HE3 LYS A 68 -9.774 -24.114 -0.477 1.00 22.41 H new ATOM 0 HZ1 LYS A 68 -9.062 -25.294 1.754 1.00 5.02 H new ATOM 0 HZ2 LYS A 68 -8.305 -25.642 0.274 1.00 5.02 H new ATOM 0 HZ3 LYS A 68 -7.564 -24.587 1.380 1.00 5.02 H new ATOM 1037 N ASP A 69 -3.493 -23.193 -2.652 1.00 15.13 N ATOM 1038 CA ASP A 69 -2.812 -22.142 -3.418 1.00 73.13 C ATOM 1039 C ASP A 69 -2.686 -22.531 -4.893 1.00 2.11 C ATOM 1040 O ASP A 69 -2.425 -21.677 -5.743 1.00 71.50 O ATOM 1041 CB ASP A 69 -1.434 -21.803 -2.816 1.00 3.14 C ATOM 1042 CG ASP A 69 -0.474 -22.982 -2.783 1.00 33.44 C ATOM 1043 OD1 ASP A 69 -0.533 -23.768 -1.814 1.00 53.11 O ATOM 1044 OD2 ASP A 69 0.358 -23.111 -3.709 1.00 3.03 O ATOM 0 H ASP A 69 -2.908 -23.655 -1.956 1.00 15.13 H new ATOM 0 HA ASP A 69 -3.426 -21.243 -3.356 1.00 73.13 H new ATOM 0 HB2 ASP A 69 -0.984 -20.996 -3.393 1.00 3.14 H new ATOM 0 HB3 ASP A 69 -1.573 -21.430 -1.801 1.00 3.14 H new ATOM 1049 N GLU A 70 -2.879 -23.817 -5.198 1.00 14.54 N ATOM 1050 CA GLU A 70 -2.829 -24.304 -6.577 1.00 21.21 C ATOM 1051 C GLU A 70 -3.784 -23.500 -7.470 1.00 20.22 C ATOM 1052 O GLU A 70 -3.547 -23.348 -8.671 1.00 62.31 O ATOM 1053 CB GLU A 70 -3.192 -25.797 -6.635 1.00 43.43 C ATOM 1054 CG GLU A 70 -4.653 -26.096 -6.309 1.00 54.45 C ATOM 1055 CD GLU A 70 -4.956 -27.587 -6.241 1.00 72.43 C ATOM 1056 OE1 GLU A 70 -4.846 -28.268 -7.282 1.00 33.23 O ATOM 1057 OE2 GLU A 70 -5.314 -28.083 -5.149 1.00 53.25 O ATOM 0 H GLU A 70 -3.072 -24.541 -4.506 1.00 14.54 H new ATOM 0 HA GLU A 70 -1.811 -24.174 -6.945 1.00 21.21 H new ATOM 0 HB2 GLU A 70 -2.969 -26.176 -7.632 1.00 43.43 H new ATOM 0 HB3 GLU A 70 -2.556 -26.342 -5.937 1.00 43.43 H new ATOM 0 HG2 GLU A 70 -4.908 -25.635 -5.354 1.00 54.45 H new ATOM 0 HG3 GLU A 70 -5.289 -25.636 -7.065 1.00 54.45 H new ATOM 1064 N ILE A 71 -4.849 -22.970 -6.864 1.00 21.23 N ATOM 1065 CA ILE A 71 -5.828 -22.160 -7.585 1.00 21.42 C ATOM 1066 C ILE A 71 -5.146 -20.967 -8.247 1.00 5.33 C ATOM 1067 O ILE A 71 -5.157 -20.819 -9.474 1.00 63.22 O ATOM 1068 CB ILE A 71 -6.942 -21.636 -6.635 1.00 25.30 C ATOM 1069 CG1 ILE A 71 -7.628 -22.804 -5.907 1.00 51.32 C ATOM 1070 CG2 ILE A 71 -7.962 -20.805 -7.413 1.00 34.21 C ATOM 1071 CD1 ILE A 71 -8.118 -23.880 -6.838 1.00 41.44 C ATOM 0 H ILE A 71 -5.054 -23.089 -5.872 1.00 21.23 H new ATOM 0 HA ILE A 71 -6.281 -22.799 -8.343 1.00 21.42 H new ATOM 0 HB ILE A 71 -6.481 -20.994 -5.884 1.00 25.30 H new ATOM 0 HG12 ILE A 71 -6.928 -23.241 -5.195 1.00 51.32 H new ATOM 0 HG13 ILE A 71 -8.470 -22.420 -5.331 1.00 51.32 H new ATOM 0 HG21 ILE A 71 -8.734 -20.446 -6.732 1.00 34.21 H new ATOM 0 HG22 ILE A 71 -7.462 -19.954 -7.875 1.00 34.21 H new ATOM 0 HG23 ILE A 71 -8.419 -21.421 -8.187 1.00 34.21 H new ATOM 0 HD11 ILE A 71 -8.591 -24.674 -6.260 1.00 41.44 H new ATOM 0 HD12 ILE A 71 -8.842 -23.457 -7.534 1.00 41.44 H new ATOM 0 HD13 ILE A 71 -7.276 -24.290 -7.395 1.00 41.44 H new ATOM 1083 N GLU A 72 -4.514 -20.146 -7.421 1.00 15.22 N ATOM 1084 CA GLU A 72 -3.848 -18.938 -7.898 1.00 53.51 C ATOM 1085 C GLU A 72 -2.601 -19.292 -8.700 1.00 55.15 C ATOM 1086 O GLU A 72 -2.170 -18.526 -9.562 1.00 64.43 O ATOM 1087 CB GLU A 72 -3.508 -17.998 -6.739 1.00 52.51 C ATOM 1088 CG GLU A 72 -2.615 -18.609 -5.674 1.00 33.15 C ATOM 1089 CD GLU A 72 -1.251 -17.937 -5.584 1.00 43.24 C ATOM 1090 OE1 GLU A 72 -1.132 -16.910 -4.882 1.00 52.10 O ATOM 1091 OE2 GLU A 72 -0.292 -18.428 -6.217 1.00 15.35 O ATOM 0 H GLU A 72 -4.447 -20.293 -6.414 1.00 15.22 H new ATOM 0 HA GLU A 72 -4.538 -18.411 -8.557 1.00 53.51 H new ATOM 0 HB2 GLU A 72 -3.019 -17.110 -7.140 1.00 52.51 H new ATOM 0 HB3 GLU A 72 -4.436 -17.668 -6.272 1.00 52.51 H new ATOM 0 HG2 GLU A 72 -3.113 -18.540 -4.707 1.00 33.15 H new ATOM 0 HG3 GLU A 72 -2.478 -19.669 -5.887 1.00 33.15 H new ATOM 1098 N LYS A 73 -2.037 -20.465 -8.414 1.00 41.33 N ATOM 1099 CA LYS A 73 -0.912 -20.990 -9.180 1.00 45.24 C ATOM 1100 C LYS A 73 -1.312 -21.108 -10.650 1.00 24.45 C ATOM 1101 O LYS A 73 -0.602 -20.640 -11.543 1.00 4.23 O ATOM 1102 CB LYS A 73 -0.497 -22.365 -8.636 1.00 73.41 C ATOM 1103 CG LYS A 73 0.771 -22.938 -9.271 1.00 61.01 C ATOM 1104 CD LYS A 73 2.026 -22.193 -8.820 1.00 25.10 C ATOM 1105 CE LYS A 73 2.224 -22.293 -7.311 1.00 44.05 C ATOM 1106 NZ LYS A 73 3.486 -21.646 -6.870 1.00 4.13 N ATOM 0 H LYS A 73 -2.344 -21.071 -7.653 1.00 41.33 H new ATOM 0 HA LYS A 73 -0.065 -20.310 -9.088 1.00 45.24 H new ATOM 0 HB2 LYS A 73 -0.346 -22.286 -7.559 1.00 73.41 H new ATOM 0 HB3 LYS A 73 -1.316 -23.067 -8.792 1.00 73.41 H new ATOM 0 HG2 LYS A 73 0.862 -23.992 -9.010 1.00 61.01 H new ATOM 0 HG3 LYS A 73 0.688 -22.884 -10.357 1.00 61.01 H new ATOM 0 HD2 LYS A 73 2.897 -22.604 -9.330 1.00 25.10 H new ATOM 0 HD3 LYS A 73 1.952 -21.145 -9.110 1.00 25.10 H new ATOM 0 HE2 LYS A 73 1.380 -21.825 -6.803 1.00 44.05 H new ATOM 0 HE3 LYS A 73 2.232 -23.342 -7.015 1.00 44.05 H new ATOM 0 HZ1 LYS A 73 3.375 -21.295 -5.897 1.00 4.13 H new ATOM 0 HZ2 LYS A 73 4.261 -22.339 -6.902 1.00 4.13 H new ATOM 0 HZ3 LYS A 73 3.707 -20.850 -7.502 1.00 4.13 H new ATOM 1120 N PHE A 74 -2.472 -21.722 -10.881 1.00 11.22 N ATOM 1121 CA PHE A 74 -3.010 -21.878 -12.224 1.00 22.20 C ATOM 1122 C PHE A 74 -3.432 -20.530 -12.806 1.00 73.02 C ATOM 1123 O PHE A 74 -3.148 -20.240 -13.967 1.00 45.14 O ATOM 1124 CB PHE A 74 -4.193 -22.857 -12.209 1.00 10.05 C ATOM 1125 CG PHE A 74 -3.773 -24.308 -12.241 1.00 14.54 C ATOM 1126 CD1 PHE A 74 -2.897 -24.817 -11.293 1.00 44.33 C ATOM 1127 CD2 PHE A 74 -4.252 -25.160 -13.228 1.00 44.31 C ATOM 1128 CE1 PHE A 74 -2.508 -26.143 -11.327 1.00 1.45 C ATOM 1129 CE2 PHE A 74 -3.867 -26.487 -13.263 1.00 73.32 C ATOM 1130 CZ PHE A 74 -2.994 -26.978 -12.313 1.00 62.40 C ATOM 0 H PHE A 74 -3.058 -22.121 -10.147 1.00 11.22 H new ATOM 0 HA PHE A 74 -2.226 -22.286 -12.863 1.00 22.20 H new ATOM 0 HB2 PHE A 74 -4.790 -22.679 -11.315 1.00 10.05 H new ATOM 0 HB3 PHE A 74 -4.834 -22.653 -13.067 1.00 10.05 H new ATOM 0 HD1 PHE A 74 -2.514 -24.169 -10.519 1.00 44.33 H new ATOM 0 HD2 PHE A 74 -4.933 -24.781 -13.976 1.00 44.31 H new ATOM 0 HE1 PHE A 74 -1.825 -26.525 -10.583 1.00 1.45 H new ATOM 0 HE2 PHE A 74 -4.249 -27.140 -14.034 1.00 73.32 H new ATOM 0 HZ PHE A 74 -2.692 -28.014 -12.341 1.00 62.40 H new ATOM 1140 N ILE A 75 -4.089 -19.701 -11.999 1.00 65.43 N ATOM 1141 CA ILE A 75 -4.540 -18.386 -12.456 1.00 31.44 C ATOM 1142 C ILE A 75 -3.363 -17.568 -12.990 1.00 22.43 C ATOM 1143 O ILE A 75 -3.394 -17.063 -14.115 1.00 22.03 O ATOM 1144 CB ILE A 75 -5.235 -17.600 -11.315 1.00 14.34 C ATOM 1145 CG1 ILE A 75 -6.451 -18.382 -10.794 1.00 51.04 C ATOM 1146 CG2 ILE A 75 -5.650 -16.210 -11.787 1.00 31.23 C ATOM 1147 CD1 ILE A 75 -7.054 -17.800 -9.533 1.00 30.54 C ATOM 0 H ILE A 75 -4.321 -19.914 -11.029 1.00 65.43 H new ATOM 0 HA ILE A 75 -5.261 -18.550 -13.257 1.00 31.44 H new ATOM 0 HB ILE A 75 -4.524 -17.479 -10.498 1.00 14.34 H new ATOM 0 HG12 ILE A 75 -7.214 -18.410 -11.572 1.00 51.04 H new ATOM 0 HG13 ILE A 75 -6.154 -19.413 -10.602 1.00 51.04 H new ATOM 0 HG21 ILE A 75 -6.135 -15.678 -10.969 1.00 31.23 H new ATOM 0 HG22 ILE A 75 -4.768 -15.656 -12.107 1.00 31.23 H new ATOM 0 HG23 ILE A 75 -6.344 -16.302 -12.623 1.00 31.23 H new ATOM 0 HD11 ILE A 75 -7.907 -18.404 -9.225 1.00 30.54 H new ATOM 0 HD12 ILE A 75 -6.306 -17.797 -8.740 1.00 30.54 H new ATOM 0 HD13 ILE A 75 -7.383 -16.779 -9.725 1.00 30.54 H new ATOM 1159 N ALA A 76 -2.307 -17.485 -12.186 1.00 52.44 N ATOM 1160 CA ALA A 76 -1.125 -16.702 -12.533 1.00 4.04 C ATOM 1161 C ALA A 76 -0.489 -17.217 -13.821 1.00 21.11 C ATOM 1162 O ALA A 76 0.104 -16.449 -14.582 1.00 25.25 O ATOM 1163 CB ALA A 76 -0.122 -16.730 -11.386 1.00 5.44 C ATOM 0 H ALA A 76 -2.246 -17.955 -11.283 1.00 52.44 H new ATOM 0 HA ALA A 76 -1.432 -15.670 -12.702 1.00 4.04 H new ATOM 0 HB1 ALA A 76 0.756 -16.143 -11.656 1.00 5.44 H new ATOM 0 HB2 ALA A 76 -0.580 -16.308 -10.492 1.00 5.44 H new ATOM 0 HB3 ALA A 76 0.177 -17.760 -11.189 1.00 5.44 H new ATOM 1169 N ASP A 77 -0.634 -18.517 -14.064 1.00 61.03 N ATOM 1170 CA ASP A 77 -0.089 -19.148 -15.264 1.00 42.01 C ATOM 1171 C ASP A 77 -0.792 -18.634 -16.513 1.00 61.43 C ATOM 1172 O ASP A 77 -0.192 -18.552 -17.587 1.00 2.14 O ATOM 1173 CB ASP A 77 -0.236 -20.674 -15.187 1.00 63.45 C ATOM 1174 CG ASP A 77 0.371 -21.378 -16.394 1.00 43.21 C ATOM 1175 OD1 ASP A 77 1.616 -21.480 -16.469 1.00 14.33 O ATOM 1176 OD2 ASP A 77 -0.391 -21.827 -17.276 1.00 31.32 O ATOM 0 H ASP A 77 -1.127 -19.158 -13.442 1.00 61.03 H new ATOM 0 HA ASP A 77 0.969 -18.892 -15.322 1.00 42.01 H new ATOM 0 HB2 ASP A 77 0.245 -21.037 -14.279 1.00 63.45 H new ATOM 0 HB3 ASP A 77 -1.293 -20.931 -15.113 1.00 63.45 H new ATOM 1181 N VAL A 78 -2.054 -18.246 -16.360 1.00 0.21 N ATOM 1182 CA VAL A 78 -2.877 -17.830 -17.493 1.00 54.41 C ATOM 1183 C VAL A 78 -2.612 -16.358 -17.841 1.00 22.23 C ATOM 1184 O VAL A 78 -3.417 -15.702 -18.501 1.00 42.11 O ATOM 1185 CB VAL A 78 -4.381 -18.060 -17.184 1.00 74.43 C ATOM 1186 CG1 VAL A 78 -5.254 -17.870 -18.431 1.00 55.44 C ATOM 1187 CG2 VAL A 78 -4.581 -19.451 -16.588 1.00 24.11 C ATOM 0 H VAL A 78 -2.532 -18.211 -15.459 1.00 0.21 H new ATOM 0 HA VAL A 78 -2.608 -18.437 -18.357 1.00 54.41 H new ATOM 0 HB VAL A 78 -4.695 -17.312 -16.457 1.00 74.43 H new ATOM 0 HG11 VAL A 78 -6.299 -18.040 -18.173 1.00 55.44 H new ATOM 0 HG12 VAL A 78 -5.134 -16.854 -18.808 1.00 55.44 H new ATOM 0 HG13 VAL A 78 -4.950 -18.581 -19.200 1.00 55.44 H new ATOM 0 HG21 VAL A 78 -5.638 -19.606 -16.373 1.00 24.11 H new ATOM 0 HG22 VAL A 78 -4.241 -20.204 -17.299 1.00 24.11 H new ATOM 0 HG23 VAL A 78 -4.007 -19.538 -15.665 1.00 24.11 H new ATOM 1197 N THR A 79 -1.451 -15.858 -17.403 1.00 30.41 N ATOM 1198 CA THR A 79 -1.011 -14.496 -17.706 1.00 54.12 C ATOM 1199 C THR A 79 -1.874 -13.459 -16.970 1.00 71.50 C ATOM 1200 O THR A 79 -1.895 -12.278 -17.321 1.00 33.50 O ATOM 1201 CB THR A 79 -1.034 -14.238 -19.240 1.00 72.30 C ATOM 1202 OG1 THR A 79 -0.404 -15.334 -19.919 1.00 53.21 O ATOM 1203 CG2 THR A 79 -0.312 -12.947 -19.613 1.00 22.22 C ATOM 0 H THR A 79 -0.793 -16.387 -16.830 1.00 30.41 H new ATOM 0 HA THR A 79 0.015 -14.390 -17.355 1.00 54.12 H new ATOM 0 HB THR A 79 -2.077 -14.144 -19.542 1.00 72.30 H new ATOM 0 HG1 THR A 79 -0.420 -15.173 -20.885 1.00 53.21 H new ATOM 0 HG21 THR A 79 -0.353 -12.806 -20.693 1.00 22.22 H new ATOM 0 HG22 THR A 79 -0.795 -12.104 -19.119 1.00 22.22 H new ATOM 0 HG23 THR A 79 0.728 -13.007 -19.294 1.00 22.22 H new ATOM 1211 N LYS A 80 -2.563 -13.904 -15.918 1.00 61.35 N ATOM 1212 CA LYS A 80 -3.399 -13.005 -15.121 1.00 2.22 C ATOM 1213 C LYS A 80 -2.538 -11.980 -14.385 1.00 73.41 C ATOM 1214 O LYS A 80 -3.012 -10.898 -14.029 1.00 21.42 O ATOM 1215 CB LYS A 80 -4.251 -13.793 -14.114 1.00 2.02 C ATOM 1216 CG LYS A 80 -5.094 -12.904 -13.199 1.00 21.24 C ATOM 1217 CD LYS A 80 -6.072 -12.025 -13.986 1.00 33.52 C ATOM 1218 CE LYS A 80 -6.453 -10.760 -13.219 1.00 30.34 C ATOM 1219 NZ LYS A 80 -6.963 -11.058 -11.857 1.00 71.14 N ATOM 0 H LYS A 80 -2.559 -14.873 -15.600 1.00 61.35 H new ATOM 0 HA LYS A 80 -4.067 -12.480 -15.803 1.00 2.22 H new ATOM 0 HB2 LYS A 80 -4.910 -14.469 -14.659 1.00 2.02 H new ATOM 0 HB3 LYS A 80 -3.595 -14.412 -13.502 1.00 2.02 H new ATOM 0 HG2 LYS A 80 -5.651 -13.529 -12.501 1.00 21.24 H new ATOM 0 HG3 LYS A 80 -4.436 -12.270 -12.605 1.00 21.24 H new ATOM 0 HD2 LYS A 80 -5.623 -11.749 -14.940 1.00 33.52 H new ATOM 0 HD3 LYS A 80 -6.972 -12.597 -14.211 1.00 33.52 H new ATOM 0 HE2 LYS A 80 -5.583 -10.108 -13.144 1.00 30.34 H new ATOM 0 HE3 LYS A 80 -7.213 -10.214 -13.778 1.00 30.34 H new ATOM 0 HZ1 LYS A 80 -7.425 -10.212 -11.467 1.00 71.14 H new ATOM 0 HZ2 LYS A 80 -7.651 -11.837 -11.906 1.00 71.14 H new ATOM 0 HZ3 LYS A 80 -6.171 -11.334 -11.242 1.00 71.14 H new ATOM 1233 N ASP A 81 -1.274 -12.344 -14.159 1.00 15.43 N ATOM 1234 CA ASP A 81 -0.310 -11.493 -13.457 1.00 70.42 C ATOM 1235 C ASP A 81 -0.645 -11.430 -11.965 1.00 63.31 C ATOM 1236 O ASP A 81 0.096 -11.954 -11.132 1.00 51.31 O ATOM 1237 CB ASP A 81 -0.271 -10.079 -14.067 1.00 15.35 C ATOM 1238 CG ASP A 81 0.914 -9.254 -13.583 1.00 71.41 C ATOM 1239 OD1 ASP A 81 0.853 -8.690 -12.470 1.00 53.32 O ATOM 1240 OD2 ASP A 81 1.917 -9.156 -14.323 1.00 21.22 O ATOM 0 H ASP A 81 -0.889 -13.240 -14.458 1.00 15.43 H new ATOM 0 HA ASP A 81 0.681 -11.933 -13.573 1.00 70.42 H new ATOM 0 HB2 ASP A 81 -0.231 -10.159 -15.153 1.00 15.35 H new ATOM 0 HB3 ASP A 81 -1.195 -9.557 -13.819 1.00 15.35 H new ATOM 1245 N GLU A 82 -1.779 -10.812 -11.634 1.00 51.11 N ATOM 1246 CA GLU A 82 -2.229 -10.705 -10.245 1.00 23.24 C ATOM 1247 C GLU A 82 -3.496 -11.541 -10.013 1.00 62.30 C ATOM 1248 O GLU A 82 -4.594 -11.152 -10.426 1.00 24.41 O ATOM 1249 CB GLU A 82 -2.496 -9.235 -9.878 1.00 2.34 C ATOM 1250 CG GLU A 82 -3.013 -9.031 -8.453 1.00 51.23 C ATOM 1251 CD GLU A 82 -2.033 -9.500 -7.386 1.00 42.24 C ATOM 1252 OE1 GLU A 82 -1.182 -8.692 -6.953 1.00 14.04 O ATOM 1253 OE2 GLU A 82 -2.109 -10.674 -6.968 1.00 21.23 O ATOM 0 H GLU A 82 -2.405 -10.376 -12.311 1.00 51.11 H new ATOM 0 HA GLU A 82 -1.437 -11.092 -9.604 1.00 23.24 H new ATOM 0 HB2 GLU A 82 -1.574 -8.667 -10.003 1.00 2.34 H new ATOM 0 HB3 GLU A 82 -3.222 -8.823 -10.579 1.00 2.34 H new ATOM 0 HG2 GLU A 82 -3.228 -7.974 -8.300 1.00 51.23 H new ATOM 0 HG3 GLU A 82 -3.954 -9.568 -8.334 1.00 51.23 H new ATOM 1260 N PRO A 83 -3.351 -12.727 -9.391 1.00 41.20 N ATOM 1261 CA PRO A 83 -4.487 -13.533 -8.947 1.00 1.43 C ATOM 1262 C PRO A 83 -4.980 -13.082 -7.566 1.00 63.44 C ATOM 1263 O PRO A 83 -4.373 -13.408 -6.540 1.00 23.54 O ATOM 1264 CB PRO A 83 -3.900 -14.949 -8.899 1.00 4.40 C ATOM 1265 CG PRO A 83 -2.456 -14.750 -8.561 1.00 51.24 C ATOM 1266 CD PRO A 83 -2.063 -13.387 -9.093 1.00 42.23 C ATOM 0 HA PRO A 83 -5.357 -13.452 -9.598 1.00 1.43 H new ATOM 0 HB2 PRO A 83 -4.402 -15.560 -8.149 1.00 4.40 H new ATOM 0 HB3 PRO A 83 -4.016 -15.459 -9.856 1.00 4.40 H new ATOM 0 HG2 PRO A 83 -2.301 -14.803 -7.483 1.00 51.24 H new ATOM 0 HG3 PRO A 83 -1.843 -15.531 -9.010 1.00 51.24 H new ATOM 0 HD2 PRO A 83 -1.488 -12.824 -8.358 1.00 42.23 H new ATOM 0 HD3 PRO A 83 -1.443 -13.472 -9.986 1.00 42.23 H new ATOM 1274 N THR A 84 -6.064 -12.311 -7.544 1.00 62.44 N ATOM 1275 CA THR A 84 -6.595 -11.769 -6.297 1.00 64.50 C ATOM 1276 C THR A 84 -7.723 -12.647 -5.756 1.00 62.30 C ATOM 1277 O THR A 84 -8.174 -13.588 -6.424 1.00 22.53 O ATOM 1278 CB THR A 84 -7.097 -10.311 -6.478 1.00 74.30 C ATOM 1279 OG1 THR A 84 -7.508 -9.768 -5.213 1.00 4.04 O ATOM 1280 CG2 THR A 84 -8.259 -10.229 -7.462 1.00 32.20 C ATOM 0 H THR A 84 -6.592 -12.048 -8.376 1.00 62.44 H new ATOM 0 HA THR A 84 -5.778 -11.761 -5.575 1.00 64.50 H new ATOM 0 HB THR A 84 -6.267 -9.730 -6.881 1.00 74.30 H new ATOM 0 HG1 THR A 84 -7.821 -8.848 -5.338 1.00 4.04 H new ATOM 0 HG21 THR A 84 -8.580 -9.192 -7.560 1.00 32.20 H new ATOM 0 HG22 THR A 84 -7.939 -10.603 -8.435 1.00 32.20 H new ATOM 0 HG23 THR A 84 -9.089 -10.833 -7.096 1.00 32.20 H new ATOM 1288 N ALA A 85 -8.182 -12.323 -4.546 1.00 11.33 N ATOM 1289 CA ALA A 85 -9.221 -13.094 -3.866 1.00 53.25 C ATOM 1290 C ALA A 85 -10.444 -13.281 -4.760 1.00 55.44 C ATOM 1291 O ALA A 85 -11.141 -14.291 -4.665 1.00 52.34 O ATOM 1292 CB ALA A 85 -9.611 -12.412 -2.559 1.00 13.24 C ATOM 0 H ALA A 85 -7.845 -11.522 -4.013 1.00 11.33 H new ATOM 0 HA ALA A 85 -8.820 -14.082 -3.641 1.00 53.25 H new ATOM 0 HB1 ALA A 85 -10.386 -12.995 -2.061 1.00 13.24 H new ATOM 0 HB2 ALA A 85 -8.737 -12.341 -1.911 1.00 13.24 H new ATOM 0 HB3 ALA A 85 -9.989 -11.412 -2.769 1.00 13.24 H new ATOM 1298 N GLN A 86 -10.688 -12.309 -5.637 1.00 34.21 N ATOM 1299 CA GLN A 86 -11.791 -12.390 -6.592 1.00 11.51 C ATOM 1300 C GLN A 86 -11.588 -13.575 -7.536 1.00 50.40 C ATOM 1301 O GLN A 86 -12.455 -14.442 -7.649 1.00 71.31 O ATOM 1302 CB GLN A 86 -11.899 -11.081 -7.390 1.00 50.03 C ATOM 1303 CG GLN A 86 -12.908 -11.129 -8.533 1.00 41.24 C ATOM 1304 CD GLN A 86 -13.082 -9.785 -9.220 1.00 21.50 C ATOM 1305 OE1 GLN A 86 -12.364 -9.456 -10.165 1.00 41.43 O ATOM 1306 NE2 GLN A 86 -14.037 -8.998 -8.751 1.00 55.22 N ATOM 0 H GLN A 86 -10.135 -11.455 -5.706 1.00 34.21 H new ATOM 0 HA GLN A 86 -12.720 -12.540 -6.043 1.00 11.51 H new ATOM 0 HB2 GLN A 86 -12.175 -10.275 -6.710 1.00 50.03 H new ATOM 0 HB3 GLN A 86 -10.918 -10.834 -7.796 1.00 50.03 H new ATOM 0 HG2 GLN A 86 -12.585 -11.868 -9.266 1.00 41.24 H new ATOM 0 HG3 GLN A 86 -13.871 -11.463 -8.148 1.00 41.24 H new ATOM 0 HE21 GLN A 86 -14.612 -9.305 -7.966 1.00 55.22 H new ATOM 0 HE22 GLN A 86 -14.198 -8.084 -9.174 1.00 55.22 H new ATOM 1315 N ASP A 87 -10.426 -13.613 -8.185 1.00 24.32 N ATOM 1316 CA ASP A 87 -10.071 -14.700 -9.103 1.00 32.24 C ATOM 1317 C ASP A 87 -10.165 -16.041 -8.393 1.00 42.21 C ATOM 1318 O ASP A 87 -10.831 -16.963 -8.870 1.00 5.42 O ATOM 1319 CB ASP A 87 -8.640 -14.535 -9.640 1.00 62.23 C ATOM 1320 CG ASP A 87 -8.414 -13.235 -10.389 1.00 31.03 C ATOM 1321 OD1 ASP A 87 -8.698 -13.173 -11.601 1.00 14.52 O ATOM 1322 OD2 ASP A 87 -7.917 -12.271 -9.771 1.00 21.13 O ATOM 0 H ASP A 87 -9.706 -12.897 -8.092 1.00 24.32 H new ATOM 0 HA ASP A 87 -10.773 -14.663 -9.936 1.00 32.24 H new ATOM 0 HB2 ASP A 87 -7.940 -14.590 -8.806 1.00 62.23 H new ATOM 0 HB3 ASP A 87 -8.412 -15.370 -10.303 1.00 62.23 H new ATOM 1327 N ILE A 88 -9.504 -16.140 -7.238 1.00 41.24 N ATOM 1328 CA ILE A 88 -9.522 -17.369 -6.451 1.00 12.41 C ATOM 1329 C ILE A 88 -10.958 -17.755 -6.108 1.00 62.53 C ATOM 1330 O ILE A 88 -11.327 -18.925 -6.179 1.00 0.14 O ATOM 1331 CB ILE A 88 -8.671 -17.250 -5.152 1.00 4.11 C ATOM 1332 CG1 ILE A 88 -7.163 -17.303 -5.475 1.00 4.15 C ATOM 1333 CG2 ILE A 88 -9.035 -18.349 -4.149 1.00 3.10 C ATOM 1334 CD1 ILE A 88 -6.637 -16.104 -6.233 1.00 42.04 C ATOM 0 H ILE A 88 -8.952 -15.385 -6.830 1.00 41.24 H new ATOM 0 HA ILE A 88 -9.072 -18.152 -7.062 1.00 12.41 H new ATOM 0 HB ILE A 88 -8.896 -16.284 -4.699 1.00 4.11 H new ATOM 0 HG12 ILE A 88 -6.608 -17.398 -4.541 1.00 4.15 H new ATOM 0 HG13 ILE A 88 -6.961 -18.202 -6.058 1.00 4.15 H new ATOM 0 HG21 ILE A 88 -8.425 -18.240 -3.252 1.00 3.10 H new ATOM 0 HG22 ILE A 88 -10.089 -18.264 -3.883 1.00 3.10 H new ATOM 0 HG23 ILE A 88 -8.851 -19.326 -4.597 1.00 3.10 H new ATOM 0 HD11 ILE A 88 -5.570 -16.229 -6.415 1.00 42.04 H new ATOM 0 HD12 ILE A 88 -7.160 -16.017 -7.185 1.00 42.04 H new ATOM 0 HD13 ILE A 88 -6.802 -15.201 -5.645 1.00 42.04 H new ATOM 1346 N SER A 89 -11.771 -16.760 -5.767 1.00 54.03 N ATOM 1347 CA SER A 89 -13.173 -16.989 -5.445 1.00 31.54 C ATOM 1348 C SER A 89 -13.897 -17.623 -6.637 1.00 63.41 C ATOM 1349 O SER A 89 -14.590 -18.636 -6.488 1.00 50.42 O ATOM 1350 CB SER A 89 -13.843 -15.666 -5.049 1.00 55.52 C ATOM 1351 OG SER A 89 -15.208 -15.850 -4.709 1.00 41.44 O ATOM 0 H SER A 89 -11.480 -15.784 -5.707 1.00 54.03 H new ATOM 0 HA SER A 89 -13.234 -17.677 -4.602 1.00 31.54 H new ATOM 0 HB2 SER A 89 -13.313 -15.229 -4.203 1.00 55.52 H new ATOM 0 HB3 SER A 89 -13.766 -14.958 -5.874 1.00 55.52 H new ATOM 0 HG SER A 89 -15.602 -14.988 -4.461 1.00 41.44 H new ATOM 1357 N ARG A 90 -13.707 -17.042 -7.826 1.00 23.34 N ATOM 1358 CA ARG A 90 -14.395 -17.516 -9.024 1.00 54.03 C ATOM 1359 C ARG A 90 -13.990 -18.956 -9.312 1.00 24.50 C ATOM 1360 O ARG A 90 -14.822 -19.863 -9.349 1.00 24.11 O ATOM 1361 CB ARG A 90 -14.052 -16.649 -10.252 1.00 2.20 C ATOM 1362 CG ARG A 90 -14.123 -15.141 -10.024 1.00 50.34 C ATOM 1363 CD ARG A 90 -15.404 -14.724 -9.317 1.00 62.12 C ATOM 1364 NE ARG A 90 -16.602 -15.186 -10.036 1.00 24.24 N ATOM 1365 CZ ARG A 90 -17.775 -15.461 -9.459 1.00 75.25 C ATOM 1366 NH1 ARG A 90 -17.953 -15.280 -8.157 1.00 2.51 N ATOM 1367 NH2 ARG A 90 -18.777 -15.917 -10.199 1.00 40.20 N ATOM 0 H ARG A 90 -13.086 -16.248 -7.981 1.00 23.34 H new ATOM 0 HA ARG A 90 -15.467 -17.451 -8.839 1.00 54.03 H new ATOM 0 HB2 ARG A 90 -13.046 -16.903 -10.586 1.00 2.20 H new ATOM 0 HB3 ARG A 90 -14.732 -16.910 -11.062 1.00 2.20 H new ATOM 0 HG2 ARG A 90 -13.264 -14.824 -9.432 1.00 50.34 H new ATOM 0 HG3 ARG A 90 -14.056 -14.627 -10.983 1.00 50.34 H new ATOM 0 HD2 ARG A 90 -15.409 -15.129 -8.305 1.00 62.12 H new ATOM 0 HD3 ARG A 90 -15.431 -13.638 -9.226 1.00 62.12 H new ATOM 0 HE ARG A 90 -16.532 -15.305 -11.047 1.00 24.24 H new ATOM 0 HH11 ARG A 90 -17.188 -14.926 -7.582 1.00 2.51 H new ATOM 0 HH12 ARG A 90 -18.855 -15.495 -7.731 1.00 2.51 H new ATOM 0 HH21 ARG A 90 -18.649 -16.055 -11.201 1.00 40.20 H new ATOM 0 HH22 ARG A 90 -19.676 -16.129 -9.766 1.00 40.20 H new ATOM 1381 N VAL A 91 -12.688 -19.158 -9.447 1.00 13.22 N ATOM 1382 CA VAL A 91 -12.146 -20.460 -9.793 1.00 73.33 C ATOM 1383 C VAL A 91 -12.565 -21.509 -8.764 1.00 11.43 C ATOM 1384 O VAL A 91 -13.127 -22.554 -9.117 1.00 41.13 O ATOM 1385 CB VAL A 91 -10.602 -20.403 -9.894 1.00 22.24 C ATOM 1386 CG1 VAL A 91 -10.023 -21.781 -10.189 1.00 73.11 C ATOM 1387 CG2 VAL A 91 -10.171 -19.394 -10.960 1.00 44.15 C ATOM 0 H VAL A 91 -11.984 -18.430 -9.321 1.00 13.22 H new ATOM 0 HA VAL A 91 -12.548 -20.744 -10.766 1.00 73.33 H new ATOM 0 HB VAL A 91 -10.211 -20.074 -8.931 1.00 22.24 H new ATOM 0 HG11 VAL A 91 -8.937 -21.713 -10.255 1.00 73.11 H new ATOM 0 HG12 VAL A 91 -10.296 -22.469 -9.389 1.00 73.11 H new ATOM 0 HG13 VAL A 91 -10.422 -22.148 -11.135 1.00 73.11 H new ATOM 0 HG21 VAL A 91 -9.083 -19.367 -11.017 1.00 44.15 H new ATOM 0 HG22 VAL A 91 -10.578 -19.690 -11.927 1.00 44.15 H new ATOM 0 HG23 VAL A 91 -10.545 -18.405 -10.697 1.00 44.15 H new ATOM 1397 N ALA A 92 -12.324 -21.201 -7.492 1.00 14.51 N ATOM 1398 CA ALA A 92 -12.606 -22.131 -6.404 1.00 51.41 C ATOM 1399 C ALA A 92 -14.090 -22.479 -6.340 1.00 45.24 C ATOM 1400 O ALA A 92 -14.446 -23.620 -6.042 1.00 41.04 O ATOM 1401 CB ALA A 92 -12.117 -21.569 -5.074 1.00 45.23 C ATOM 0 H ALA A 92 -11.932 -20.309 -7.189 1.00 14.51 H new ATOM 0 HA ALA A 92 -12.062 -23.054 -6.604 1.00 51.41 H new ATOM 0 HB1 ALA A 92 -12.337 -22.278 -4.276 1.00 45.23 H new ATOM 0 HB2 ALA A 92 -11.041 -21.401 -5.123 1.00 45.23 H new ATOM 0 HB3 ALA A 92 -12.622 -20.625 -4.870 1.00 45.23 H new ATOM 1407 N SER A 93 -14.957 -21.510 -6.633 1.00 15.05 N ATOM 1408 CA SER A 93 -16.387 -21.764 -6.627 1.00 62.23 C ATOM 1409 C SER A 93 -16.770 -22.692 -7.781 1.00 73.41 C ATOM 1410 O SER A 93 -17.606 -23.584 -7.617 1.00 13.21 O ATOM 1411 CB SER A 93 -17.168 -20.446 -6.694 1.00 70.15 C ATOM 1412 OG SER A 93 -16.811 -19.683 -7.830 1.00 11.51 O ATOM 0 H SER A 93 -14.693 -20.555 -6.874 1.00 15.05 H new ATOM 0 HA SER A 93 -16.649 -22.262 -5.693 1.00 62.23 H new ATOM 0 HB2 SER A 93 -18.237 -20.657 -6.719 1.00 70.15 H new ATOM 0 HB3 SER A 93 -16.979 -19.865 -5.791 1.00 70.15 H new ATOM 0 HG SER A 93 -16.037 -20.093 -8.270 1.00 11.51 H new ATOM 1418 N ARG A 94 -16.140 -22.498 -8.946 1.00 41.15 N ATOM 1419 CA ARG A 94 -16.398 -23.369 -10.101 1.00 3.43 C ATOM 1420 C ARG A 94 -16.045 -24.811 -9.770 1.00 32.51 C ATOM 1421 O ARG A 94 -16.867 -25.708 -9.923 1.00 40.31 O ATOM 1422 CB ARG A 94 -15.578 -22.951 -11.325 1.00 52.53 C ATOM 1423 CG ARG A 94 -15.605 -21.468 -11.620 1.00 61.23 C ATOM 1424 CD ARG A 94 -17.026 -20.910 -11.718 1.00 13.22 C ATOM 1425 NE ARG A 94 -17.534 -20.933 -13.094 1.00 3.54 N ATOM 1426 CZ ARG A 94 -18.471 -21.763 -13.540 1.00 23.02 C ATOM 1427 NH1 ARG A 94 -19.014 -22.660 -12.727 1.00 3.12 N ATOM 1428 NH2 ARG A 94 -18.866 -21.687 -14.802 1.00 21.02 N ATOM 0 H ARG A 94 -15.458 -21.758 -9.114 1.00 41.15 H new ATOM 0 HA ARG A 94 -17.459 -23.276 -10.331 1.00 3.43 H new ATOM 0 HB2 ARG A 94 -14.543 -23.261 -11.177 1.00 52.53 H new ATOM 0 HB3 ARG A 94 -15.950 -23.489 -12.197 1.00 52.53 H new ATOM 0 HG2 ARG A 94 -15.064 -20.936 -10.837 1.00 61.23 H new ATOM 0 HG3 ARG A 94 -15.080 -21.279 -12.556 1.00 61.23 H new ATOM 0 HD2 ARG A 94 -17.689 -21.492 -11.078 1.00 13.22 H new ATOM 0 HD3 ARG A 94 -17.040 -19.886 -11.344 1.00 13.22 H new ATOM 0 HE ARG A 94 -17.140 -20.264 -13.756 1.00 3.54 H new ATOM 0 HH11 ARG A 94 -18.713 -22.715 -11.754 1.00 3.12 H new ATOM 0 HH12 ARG A 94 -19.733 -23.295 -13.075 1.00 3.12 H new ATOM 0 HH21 ARG A 94 -18.451 -20.994 -15.425 1.00 21.02 H new ATOM 0 HH22 ARG A 94 -19.585 -22.321 -15.150 1.00 21.02 H new ATOM 1442 N LEU A 95 -14.814 -25.020 -9.316 1.00 55.01 N ATOM 1443 CA LEU A 95 -14.334 -26.370 -9.005 1.00 15.52 C ATOM 1444 C LEU A 95 -15.075 -26.955 -7.803 1.00 70.41 C ATOM 1445 O LEU A 95 -15.226 -28.171 -7.697 1.00 61.13 O ATOM 1446 CB LEU A 95 -12.809 -26.399 -8.812 1.00 62.31 C ATOM 1447 CG LEU A 95 -12.223 -25.350 -7.847 1.00 10.41 C ATOM 1448 CD1 LEU A 95 -11.850 -25.966 -6.497 1.00 12.14 C ATOM 1449 CD2 LEU A 95 -11.019 -24.662 -8.480 1.00 73.21 C ATOM 0 H LEU A 95 -14.131 -24.280 -9.154 1.00 55.01 H new ATOM 0 HA LEU A 95 -14.554 -27.006 -9.862 1.00 15.52 H new ATOM 0 HB2 LEU A 95 -12.528 -27.389 -8.453 1.00 62.31 H new ATOM 0 HB3 LEU A 95 -12.338 -26.268 -9.786 1.00 62.31 H new ATOM 0 HG LEU A 95 -12.995 -24.604 -7.659 1.00 10.41 H new ATOM 0 HD11 LEU A 95 -11.441 -25.194 -5.845 1.00 12.14 H new ATOM 0 HD12 LEU A 95 -12.739 -26.397 -6.036 1.00 12.14 H new ATOM 0 HD13 LEU A 95 -11.105 -26.747 -6.647 1.00 12.14 H new ATOM 0 HD21 LEU A 95 -10.616 -23.924 -7.787 1.00 73.21 H new ATOM 0 HD22 LEU A 95 -10.253 -25.404 -8.706 1.00 73.21 H new ATOM 0 HD23 LEU A 95 -11.326 -24.166 -9.401 1.00 73.21 H new ATOM 1461 N ALA A 96 -15.533 -26.093 -6.900 1.00 40.45 N ATOM 1462 CA ALA A 96 -16.406 -26.529 -5.810 1.00 52.43 C ATOM 1463 C ALA A 96 -17.690 -27.124 -6.385 1.00 51.03 C ATOM 1464 O ALA A 96 -18.194 -28.135 -5.903 1.00 52.32 O ATOM 1465 CB ALA A 96 -16.727 -25.368 -4.871 1.00 5.15 C ATOM 0 H ALA A 96 -15.318 -25.096 -6.899 1.00 40.45 H new ATOM 0 HA ALA A 96 -15.887 -27.293 -5.231 1.00 52.43 H new ATOM 0 HB1 ALA A 96 -17.377 -25.718 -4.069 1.00 5.15 H new ATOM 0 HB2 ALA A 96 -15.803 -24.979 -4.445 1.00 5.15 H new ATOM 0 HB3 ALA A 96 -17.231 -24.578 -5.428 1.00 5.15 H new ATOM 1471 N ALA A 97 -18.203 -26.476 -7.429 1.00 43.02 N ATOM 1472 CA ALA A 97 -19.365 -26.968 -8.166 1.00 4.04 C ATOM 1473 C ALA A 97 -18.951 -28.069 -9.146 1.00 60.22 C ATOM 1474 O ALA A 97 -19.789 -28.821 -9.653 1.00 2.12 O ATOM 1475 CB ALA A 97 -20.034 -25.811 -8.908 1.00 52.53 C ATOM 0 H ALA A 97 -17.826 -25.598 -7.787 1.00 43.02 H new ATOM 0 HA ALA A 97 -20.078 -27.393 -7.460 1.00 4.04 H new ATOM 0 HB1 ALA A 97 -20.900 -26.182 -9.456 1.00 52.53 H new ATOM 0 HB2 ALA A 97 -20.355 -25.056 -8.191 1.00 52.53 H new ATOM 0 HB3 ALA A 97 -19.325 -25.368 -9.607 1.00 52.53 H new ATOM 1481 N GLY A 98 -17.648 -28.136 -9.417 1.00 10.24 N ATOM 1482 CA GLY A 98 -17.097 -29.132 -10.320 1.00 71.13 C ATOM 1483 C GLY A 98 -16.788 -30.437 -9.618 1.00 75.14 C ATOM 1484 O GLY A 98 -16.532 -31.451 -10.267 1.00 24.30 O ATOM 0 H GLY A 98 -16.954 -27.504 -9.018 1.00 10.24 H new ATOM 0 HA2 GLY A 98 -17.804 -29.316 -11.129 1.00 71.13 H new ATOM 0 HA3 GLY A 98 -16.186 -28.742 -10.775 1.00 71.13 H new ATOM 1488 N GLY A 99 -16.774 -30.405 -8.290 1.00 44.44 N ATOM 1489 CA GLY A 99 -16.665 -31.627 -7.515 1.00 11.31 C ATOM 1490 C GLY A 99 -18.000 -32.337 -7.471 1.00 2.41 C ATOM 1491 O GLY A 99 -19.027 -31.691 -7.276 1.00 24.34 O ATOM 0 H GLY A 99 -16.836 -29.552 -7.735 1.00 44.44 H new ATOM 0 HA2 GLY A 99 -15.912 -32.280 -7.956 1.00 11.31 H new ATOM 0 HA3 GLY A 99 -16.334 -31.396 -6.503 1.00 11.31 H new ATOM 1495 N TRP A 100 -18.004 -33.659 -7.643 1.00 33.12 N ATOM 1496 CA TRP A 100 -19.260 -34.394 -7.809 1.00 54.53 C ATOM 1497 C TRP A 100 -19.562 -35.357 -6.655 1.00 63.43 C ATOM 1498 O TRP A 100 -19.262 -36.551 -6.739 1.00 14.14 O ATOM 1499 CB TRP A 100 -19.256 -35.170 -9.140 1.00 53.11 C ATOM 1500 CG TRP A 100 -19.373 -34.293 -10.355 1.00 53.11 C ATOM 1501 CD1 TRP A 100 -18.379 -33.569 -10.947 1.00 62.25 C ATOM 1502 CD2 TRP A 100 -20.556 -34.058 -11.133 1.00 74.21 C ATOM 1503 NE1 TRP A 100 -18.873 -32.888 -12.033 1.00 50.24 N ATOM 1504 CE2 TRP A 100 -20.205 -33.176 -12.174 1.00 71.24 C ATOM 1505 CE3 TRP A 100 -21.877 -34.506 -11.049 1.00 61.55 C ATOM 1506 CZ2 TRP A 100 -21.128 -32.734 -13.120 1.00 14.04 C ATOM 1507 CZ3 TRP A 100 -22.792 -34.070 -11.989 1.00 44.10 C ATOM 1508 CH2 TRP A 100 -22.414 -33.192 -13.014 1.00 25.43 C ATOM 0 H TRP A 100 -17.164 -34.237 -7.671 1.00 33.12 H new ATOM 0 HA TRP A 100 -20.050 -33.643 -7.812 1.00 54.53 H new ATOM 0 HB2 TRP A 100 -18.335 -35.749 -9.209 1.00 53.11 H new ATOM 0 HB3 TRP A 100 -20.081 -35.882 -9.137 1.00 53.11 H new ATOM 0 HD1 TRP A 100 -17.353 -33.536 -10.611 1.00 62.25 H new ATOM 0 HE1 TRP A 100 -18.334 -32.267 -12.637 1.00 50.24 H new ATOM 0 HE3 TRP A 100 -22.178 -35.182 -10.262 1.00 61.55 H new ATOM 0 HZ2 TRP A 100 -20.839 -32.055 -13.908 1.00 14.04 H new ATOM 0 HZ3 TRP A 100 -23.815 -34.412 -11.933 1.00 44.10 H new ATOM 0 HH2 TRP A 100 -23.152 -32.870 -13.734 1.00 25.43 H new ATOM 1519 N PRO A 101 -20.119 -34.845 -5.541 1.00 54.45 N ATOM 1520 CA PRO A 101 -20.883 -35.649 -4.600 1.00 61.44 C ATOM 1521 C PRO A 101 -22.346 -35.649 -5.049 1.00 74.42 C ATOM 1522 O PRO A 101 -22.903 -36.676 -5.435 1.00 34.13 O ATOM 1523 CB PRO A 101 -20.698 -34.919 -3.254 1.00 45.13 C ATOM 1524 CG PRO A 101 -19.996 -33.623 -3.571 1.00 52.13 C ATOM 1525 CD PRO A 101 -20.017 -33.459 -5.071 1.00 25.12 C ATOM 0 HA PRO A 101 -20.568 -36.690 -4.531 1.00 61.44 H new ATOM 0 HB2 PRO A 101 -21.660 -34.734 -2.776 1.00 45.13 H new ATOM 0 HB3 PRO A 101 -20.109 -35.521 -2.562 1.00 45.13 H new ATOM 0 HG2 PRO A 101 -20.497 -32.785 -3.085 1.00 52.13 H new ATOM 0 HG3 PRO A 101 -18.971 -33.640 -3.200 1.00 52.13 H new ATOM 0 HD2 PRO A 101 -20.862 -32.855 -5.401 1.00 25.12 H new ATOM 0 HD3 PRO A 101 -19.114 -32.971 -5.439 1.00 25.12 H new ATOM 1533 N LEU A 102 -22.938 -34.460 -5.026 1.00 10.31 N ATOM 1534 CA LEU A 102 -24.197 -34.183 -5.698 1.00 74.21 C ATOM 1535 C LEU A 102 -24.047 -32.825 -6.378 1.00 33.31 C ATOM 1536 O LEU A 102 -24.317 -31.784 -5.775 1.00 3.42 O ATOM 1537 CB LEU A 102 -25.375 -34.196 -4.698 1.00 54.21 C ATOM 1538 CG LEU A 102 -26.794 -34.309 -5.303 1.00 73.13 C ATOM 1539 CD1 LEU A 102 -27.196 -33.043 -6.054 1.00 1.32 C ATOM 1540 CD2 LEU A 102 -26.896 -35.525 -6.218 1.00 12.44 C ATOM 0 H LEU A 102 -22.551 -33.654 -4.534 1.00 10.31 H new ATOM 0 HA LEU A 102 -24.422 -34.952 -6.437 1.00 74.21 H new ATOM 0 HB2 LEU A 102 -25.230 -35.030 -4.011 1.00 54.21 H new ATOM 0 HB3 LEU A 102 -25.329 -33.283 -4.105 1.00 54.21 H new ATOM 0 HG LEU A 102 -27.489 -34.434 -4.473 1.00 73.13 H new ATOM 0 HD11 LEU A 102 -28.199 -33.165 -6.463 1.00 1.32 H new ATOM 0 HD12 LEU A 102 -27.184 -32.195 -5.370 1.00 1.32 H new ATOM 0 HD13 LEU A 102 -26.492 -32.863 -6.867 1.00 1.32 H new ATOM 0 HD21 LEU A 102 -27.902 -35.585 -6.633 1.00 12.44 H new ATOM 0 HD22 LEU A 102 -26.174 -35.431 -7.029 1.00 12.44 H new ATOM 0 HD23 LEU A 102 -26.684 -36.429 -5.647 1.00 12.44 H new ATOM 1552 N ALA A 103 -23.552 -32.839 -7.613 1.00 35.13 N ATOM 1553 CA ALA A 103 -23.205 -31.606 -8.321 1.00 1.22 C ATOM 1554 C ALA A 103 -24.032 -31.436 -9.590 1.00 44.52 C ATOM 1555 O ALA A 103 -24.946 -32.219 -9.859 1.00 71.31 O ATOM 1556 CB ALA A 103 -21.717 -31.594 -8.649 1.00 34.24 C ATOM 0 H ALA A 103 -23.381 -33.691 -8.147 1.00 35.13 H new ATOM 0 HA ALA A 103 -23.434 -30.766 -7.665 1.00 1.22 H new ATOM 0 HB1 ALA A 103 -21.468 -30.673 -9.176 1.00 34.24 H new ATOM 0 HB2 ALA A 103 -21.140 -31.651 -7.726 1.00 34.24 H new ATOM 0 HB3 ALA A 103 -21.477 -32.449 -9.280 1.00 34.24 H new ATOM 1562 N GLY A 104 -23.697 -30.407 -10.371 1.00 1.03 N ATOM 1563 CA GLY A 104 -24.462 -30.092 -11.564 1.00 34.40 C ATOM 1564 C GLY A 104 -25.821 -29.530 -11.211 1.00 2.44 C ATOM 1565 O GLY A 104 -26.803 -29.753 -11.923 1.00 60.53 O ATOM 0 H GLY A 104 -22.907 -29.786 -10.195 1.00 1.03 H new ATOM 0 HA2 GLY A 104 -23.914 -29.371 -12.171 1.00 34.40 H new ATOM 0 HA3 GLY A 104 -24.583 -30.991 -12.169 1.00 34.40 H new ATOM 1569 N VAL A 105 -25.868 -28.799 -10.100 1.00 75.25 N ATOM 1570 CA VAL A 105 -27.093 -28.275 -9.552 1.00 23.35 C ATOM 1571 C VAL A 105 -27.601 -27.053 -10.322 1.00 14.03 C ATOM 1572 O VAL A 105 -28.759 -26.654 -10.166 1.00 43.04 O ATOM 1573 CB VAL A 105 -26.867 -27.899 -8.072 1.00 43.11 C ATOM 1574 CG1 VAL A 105 -26.519 -29.138 -7.243 1.00 54.52 C ATOM 1575 CG2 VAL A 105 -25.783 -26.822 -7.934 1.00 71.45 C ATOM 0 H VAL A 105 -25.040 -28.557 -9.556 1.00 75.25 H new ATOM 0 HA VAL A 105 -27.854 -29.051 -9.638 1.00 23.35 H new ATOM 0 HB VAL A 105 -27.798 -27.484 -7.685 1.00 43.11 H new ATOM 0 HG11 VAL A 105 -26.364 -28.849 -6.204 1.00 54.52 H new ATOM 0 HG12 VAL A 105 -27.337 -29.856 -7.302 1.00 54.52 H new ATOM 0 HG13 VAL A 105 -25.608 -29.592 -7.633 1.00 54.52 H new ATOM 0 HG21 VAL A 105 -25.645 -26.577 -6.881 1.00 71.45 H new ATOM 0 HG22 VAL A 105 -24.845 -27.195 -8.345 1.00 71.45 H new ATOM 0 HG23 VAL A 105 -26.087 -25.928 -8.478 1.00 71.45 H new ATOM 1585 N ASP A 106 -26.746 -26.461 -11.156 1.00 34.34 N ATOM 1586 CA ASP A 106 -27.128 -25.273 -11.921 1.00 34.40 C ATOM 1587 C ASP A 106 -26.514 -25.285 -13.318 1.00 44.13 C ATOM 1588 O ASP A 106 -25.416 -25.804 -13.523 1.00 12.44 O ATOM 1589 CB ASP A 106 -26.709 -23.991 -11.190 1.00 3.44 C ATOM 1590 CG ASP A 106 -27.047 -22.744 -11.993 1.00 44.43 C ATOM 1591 OD1 ASP A 106 -28.239 -22.549 -12.319 1.00 25.55 O ATOM 1592 OD2 ASP A 106 -26.125 -21.974 -12.334 1.00 61.24 O ATOM 0 H ASP A 106 -25.791 -26.781 -11.319 1.00 34.34 H new ATOM 0 HA ASP A 106 -28.214 -25.292 -12.018 1.00 34.40 H new ATOM 0 HB2 ASP A 106 -27.208 -23.946 -10.222 1.00 3.44 H new ATOM 0 HB3 ASP A 106 -25.637 -24.018 -10.995 1.00 3.44 H new ATOM 1597 N SER A 107 -27.245 -24.717 -14.272 1.00 25.45 N ATOM 1598 CA SER A 107 -26.782 -24.586 -15.651 1.00 20.22 C ATOM 1599 C SER A 107 -26.498 -23.116 -15.984 1.00 62.13 C ATOM 1600 O SER A 107 -25.751 -22.810 -16.915 1.00 71.25 O ATOM 1601 CB SER A 107 -27.845 -25.139 -16.606 1.00 31.03 C ATOM 1602 OG SER A 107 -28.276 -26.427 -16.202 1.00 63.21 O ATOM 0 H SER A 107 -28.177 -24.334 -14.111 1.00 25.45 H new ATOM 0 HA SER A 107 -25.859 -25.154 -15.767 1.00 20.22 H new ATOM 0 HB2 SER A 107 -28.698 -24.461 -16.638 1.00 31.03 H new ATOM 0 HB3 SER A 107 -27.439 -25.189 -17.617 1.00 31.03 H new ATOM 0 HG SER A 107 -28.955 -26.756 -16.827 1.00 63.21 H new ATOM 1608 N THR A 108 -27.092 -22.213 -15.202 1.00 52.43 N ATOM 1609 CA THR A 108 -27.030 -20.781 -15.477 1.00 65.30 C ATOM 1610 C THR A 108 -25.586 -20.272 -15.441 1.00 75.14 C ATOM 1611 O THR A 108 -25.213 -19.369 -16.196 1.00 15.14 O ATOM 1612 CB THR A 108 -27.879 -19.987 -14.451 1.00 33.03 C ATOM 1613 OG1 THR A 108 -29.138 -20.649 -14.241 1.00 25.35 O ATOM 1614 CG2 THR A 108 -28.127 -18.555 -14.924 1.00 32.14 C ATOM 0 H THR A 108 -27.625 -22.454 -14.367 1.00 52.43 H new ATOM 0 HA THR A 108 -27.434 -20.624 -16.477 1.00 65.30 H new ATOM 0 HB THR A 108 -27.323 -19.947 -13.515 1.00 33.03 H new ATOM 0 HG1 THR A 108 -29.035 -21.335 -13.549 1.00 25.35 H new ATOM 0 HG21 THR A 108 -28.725 -18.025 -14.182 1.00 32.14 H new ATOM 0 HG22 THR A 108 -27.173 -18.044 -15.053 1.00 32.14 H new ATOM 0 HG23 THR A 108 -28.660 -18.573 -15.874 1.00 32.14 H new ATOM 1622 N ALA A 109 -24.776 -20.881 -14.577 1.00 54.00 N ATOM 1623 CA ALA A 109 -23.384 -20.473 -14.385 1.00 24.21 C ATOM 1624 C ALA A 109 -22.470 -21.023 -15.473 1.00 11.04 C ATOM 1625 O ALA A 109 -21.253 -20.872 -15.407 1.00 23.33 O ATOM 1626 CB ALA A 109 -22.900 -20.908 -13.005 1.00 14.02 C ATOM 0 H ALA A 109 -25.063 -21.667 -13.993 1.00 54.00 H new ATOM 0 HA ALA A 109 -23.344 -19.386 -14.455 1.00 24.21 H new ATOM 0 HB1 ALA A 109 -21.863 -20.601 -12.870 1.00 14.02 H new ATOM 0 HB2 ALA A 109 -23.520 -20.442 -12.239 1.00 14.02 H new ATOM 0 HB3 ALA A 109 -22.971 -21.992 -12.920 1.00 14.02 H new ATOM 1632 N LEU A 110 -23.057 -21.652 -16.473 1.00 1.22 N ATOM 1633 CA LEU A 110 -22.304 -22.212 -17.581 1.00 62.21 C ATOM 1634 C LEU A 110 -22.561 -21.399 -18.844 1.00 32.34 C ATOM 1635 O LEU A 110 -23.180 -21.877 -19.800 1.00 74.23 O ATOM 1636 CB LEU A 110 -22.691 -23.680 -17.790 1.00 35.40 C ATOM 1637 CG LEU A 110 -22.144 -24.680 -16.749 1.00 12.11 C ATOM 1638 CD1 LEU A 110 -22.846 -24.526 -15.400 1.00 12.33 C ATOM 1639 CD2 LEU A 110 -22.268 -26.113 -17.262 1.00 71.20 C ATOM 0 H LEU A 110 -24.065 -21.789 -16.541 1.00 1.22 H new ATOM 0 HA LEU A 110 -21.239 -22.168 -17.352 1.00 62.21 H new ATOM 0 HB2 LEU A 110 -23.779 -23.751 -17.796 1.00 35.40 H new ATOM 0 HB3 LEU A 110 -22.346 -23.989 -18.777 1.00 35.40 H new ATOM 0 HG LEU A 110 -21.088 -24.456 -16.598 1.00 12.11 H new ATOM 0 HD11 LEU A 110 -22.435 -25.246 -14.692 1.00 12.33 H new ATOM 0 HD12 LEU A 110 -22.690 -23.516 -15.022 1.00 12.33 H new ATOM 0 HD13 LEU A 110 -23.914 -24.707 -15.523 1.00 12.33 H new ATOM 0 HD21 LEU A 110 -21.877 -26.802 -16.514 1.00 71.20 H new ATOM 0 HD22 LEU A 110 -23.316 -26.342 -17.453 1.00 71.20 H new ATOM 0 HD23 LEU A 110 -21.699 -26.219 -18.186 1.00 71.20 H new ATOM 1651 N ASN A 111 -22.104 -20.152 -18.830 1.00 2.03 N ATOM 1652 CA ASN A 111 -22.336 -19.233 -19.940 1.00 51.20 C ATOM 1653 C ASN A 111 -21.279 -19.418 -21.030 1.00 3.43 C ATOM 1654 O ASN A 111 -21.549 -20.019 -22.073 1.00 20.31 O ATOM 1655 CB ASN A 111 -22.342 -17.784 -19.434 1.00 51.14 C ATOM 1656 CG ASN A 111 -22.602 -16.777 -20.544 1.00 45.04 C ATOM 1657 OD1 ASN A 111 -21.674 -16.280 -21.181 1.00 64.14 O ATOM 1658 ND2 ASN A 111 -23.867 -16.467 -20.781 1.00 71.21 N ATOM 0 H ASN A 111 -21.569 -19.752 -18.059 1.00 2.03 H new ATOM 0 HA ASN A 111 -23.310 -19.456 -20.375 1.00 51.20 H new ATOM 0 HB2 ASN A 111 -23.106 -17.675 -18.664 1.00 51.14 H new ATOM 0 HB3 ASN A 111 -21.383 -17.563 -18.965 1.00 51.14 H new ATOM 0 HD21 ASN A 111 -24.099 -15.795 -21.513 1.00 71.21 H new ATOM 0 HD22 ASN A 111 -24.610 -16.900 -20.232 1.00 71.21 H new ATOM 1665 N ALA A 112 -20.073 -18.916 -20.778 1.00 65.35 N ATOM 1666 CA ALA A 112 -18.985 -18.992 -21.749 1.00 3.51 C ATOM 1667 C ALA A 112 -18.094 -20.197 -21.456 1.00 55.23 C ATOM 1668 O ALA A 112 -18.280 -21.249 -22.105 1.00 20.44 O ATOM 1669 CB ALA A 112 -18.173 -17.699 -21.743 1.00 24.13 C ATOM 1670 OXT ALA A 112 -17.224 -20.098 -20.570 1.00 0.00 O ATOM 0 H ALA A 112 -19.824 -18.450 -19.905 1.00 65.35 H new ATOM 0 HA ALA A 112 -19.413 -19.119 -22.744 1.00 3.51 H new ATOM 0 HB1 ALA A 112 -17.366 -17.773 -22.472 1.00 24.13 H new ATOM 0 HB2 ALA A 112 -18.821 -16.861 -22.002 1.00 24.13 H new ATOM 0 HB3 ALA A 112 -17.751 -17.539 -20.751 1.00 24.13 H new