USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 449 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 GLN : amide:sc= -0.176 K(o=-0.19,f=-1.1) USER MOD Set 1.2: A 59 GLN : amide:sc= -0.0176 K(o=-0.19,f=-0.77) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 88:sc= 1.28 USER MOD Single : A 69 ASN : amide:sc= 0.852 K(o=0.85,f=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -150:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.194 K(o=-0.19,f=-3.8!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.12) USER MOD Single : A 93 GLN : amide:sc= -2.23! K(o=-2.2!,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= -0.647 K(o=-0.65,f=-2.8!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -167:sc=-0.000231 (180deg=-0.126) USER MOD Single : A 103 THR OG1 : rot -61:sc= -1.28! USER MOD Single : A 105 GLN : amide:sc= -0.0636 X(o=-0.064,f=-0.046) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 659 N GLU A 46 17.050 64.313 -12.543 1.00 65.21 N ATOM 660 CA GLU A 46 17.826 63.555 -13.511 1.00 41.54 C ATOM 661 C GLU A 46 19.196 64.200 -13.692 1.00 5.12 C ATOM 662 O GLU A 46 19.300 65.383 -14.017 1.00 43.23 O ATOM 663 CB GLU A 46 17.096 63.488 -14.852 1.00 55.55 C ATOM 664 CG GLU A 46 15.772 62.742 -14.794 1.00 14.53 C ATOM 665 CD GLU A 46 15.937 61.272 -14.468 1.00 0.14 C ATOM 666 OE1 GLU A 46 15.415 60.819 -13.426 1.00 65.32 O ATOM 667 OE2 GLU A 46 16.592 60.554 -15.252 1.00 5.55 O1- ATOM 0 HA GLU A 46 17.954 62.539 -13.138 1.00 41.54 H new ATOM 0 HB2 GLU A 46 16.915 64.502 -15.208 1.00 55.55 H new ATOM 0 HB3 GLU A 46 17.743 63.004 -15.584 1.00 55.55 H new ATOM 0 HG2 GLU A 46 15.132 63.206 -14.043 1.00 14.53 H new ATOM 0 HG3 GLU A 46 15.263 62.841 -15.752 1.00 14.53 H new ATOM 674 N THR A 47 20.240 63.419 -13.474 1.00 53.34 N ATOM 675 CA THR A 47 21.602 63.930 -13.513 1.00 11.21 C ATOM 676 C THR A 47 22.447 63.142 -14.512 1.00 2.33 C ATOM 677 O THR A 47 23.034 62.113 -14.170 1.00 31.14 O ATOM 678 CB THR A 47 22.252 63.894 -12.113 1.00 14.13 C ATOM 679 OG1 THR A 47 21.391 64.544 -11.166 1.00 60.32 O ATOM 680 CG2 THR A 47 23.607 64.587 -12.119 1.00 31.14 C ATOM 0 H THR A 47 20.171 62.423 -13.267 1.00 53.34 H new ATOM 0 HA THR A 47 21.557 64.969 -13.839 1.00 11.21 H new ATOM 0 HB THR A 47 22.398 62.851 -11.832 1.00 14.13 H new ATOM 0 HG1 THR A 47 21.804 64.519 -10.278 1.00 60.32 H new ATOM 0 HG21 THR A 47 24.041 64.546 -11.120 1.00 31.14 H new ATOM 0 HG22 THR A 47 24.270 64.084 -12.823 1.00 31.14 H new ATOM 0 HG23 THR A 47 23.482 65.628 -12.418 1.00 31.14 H new ATOM 688 N PRO A 48 22.462 63.577 -15.784 1.00 63.35 N ATOM 689 CA PRO A 48 23.192 62.889 -16.851 1.00 21.13 C ATOM 690 C PRO A 48 24.695 62.840 -16.589 1.00 23.22 C ATOM 691 O PRO A 48 25.386 63.859 -16.660 1.00 30.10 O ATOM 692 CB PRO A 48 22.894 63.724 -18.107 1.00 72.10 C ATOM 693 CG PRO A 48 21.701 64.550 -17.757 1.00 2.42 C ATOM 694 CD PRO A 48 21.784 64.788 -16.277 1.00 3.12 C ATOM 0 HA PRO A 48 22.882 61.848 -16.939 1.00 21.13 H new ATOM 0 HB2 PRO A 48 23.744 64.353 -18.372 1.00 72.10 H new ATOM 0 HB3 PRO A 48 22.691 63.084 -18.966 1.00 72.10 H new ATOM 0 HG2 PRO A 48 21.704 65.492 -18.305 1.00 2.42 H new ATOM 0 HG3 PRO A 48 20.778 64.033 -18.018 1.00 2.42 H new ATOM 0 HD2 PRO A 48 22.350 65.690 -16.044 1.00 3.12 H new ATOM 0 HD3 PRO A 48 20.796 64.907 -15.831 1.00 3.12 H new ATOM 702 N SER A 49 25.186 61.657 -16.242 1.00 1.52 N ATOM 703 CA SER A 49 26.613 61.434 -16.065 1.00 71.45 C ATOM 704 C SER A 49 27.012 60.067 -16.625 1.00 5.40 C ATOM 705 O SER A 49 28.083 59.914 -17.207 1.00 55.33 O ATOM 706 CB SER A 49 26.981 61.546 -14.584 1.00 4.01 C ATOM 707 OG SER A 49 26.585 62.809 -14.063 1.00 52.25 O ATOM 0 H SER A 49 24.610 60.831 -16.077 1.00 1.52 H new ATOM 0 HA SER A 49 27.162 62.198 -16.615 1.00 71.45 H new ATOM 0 HB2 SER A 49 26.497 60.747 -14.022 1.00 4.01 H new ATOM 0 HB3 SER A 49 28.056 61.417 -14.460 1.00 4.01 H new ATOM 0 HG SER A 49 26.827 62.862 -13.115 1.00 52.25 H new ATOM 713 N ALA A 50 26.140 59.078 -16.459 1.00 4.34 N ATOM 714 CA ALA A 50 26.380 57.749 -17.014 1.00 71.23 C ATOM 715 C ALA A 50 25.752 57.624 -18.398 1.00 52.43 C ATOM 716 O ALA A 50 26.276 56.944 -19.278 1.00 63.35 O ATOM 717 CB ALA A 50 25.828 56.676 -16.085 1.00 52.42 C ATOM 0 H ALA A 50 25.263 59.170 -15.946 1.00 4.34 H new ATOM 0 HA ALA A 50 27.457 57.607 -17.109 1.00 71.23 H new ATOM 0 HB1 ALA A 50 26.015 55.692 -16.514 1.00 52.42 H new ATOM 0 HB2 ALA A 50 26.318 56.748 -15.114 1.00 52.42 H new ATOM 0 HB3 ALA A 50 24.755 56.819 -15.961 1.00 52.42 H new ATOM 723 N LEU A 51 24.625 58.294 -18.583 1.00 14.24 N ATOM 724 CA LEU A 51 23.917 58.265 -19.859 1.00 65.24 C ATOM 725 C LEU A 51 24.188 59.536 -20.653 1.00 54.11 C ATOM 726 O LEU A 51 23.701 59.699 -21.769 1.00 73.42 O ATOM 727 CB LEU A 51 22.407 58.118 -19.642 1.00 34.13 C ATOM 728 CG LEU A 51 21.762 59.222 -18.798 1.00 14.14 C ATOM 729 CD1 LEU A 51 20.367 59.535 -19.306 1.00 42.24 C ATOM 730 CD2 LEU A 51 21.702 58.811 -17.333 1.00 32.32 C ATOM 0 H LEU A 51 24.178 58.866 -17.866 1.00 14.24 H new ATOM 0 HA LEU A 51 24.282 57.405 -20.420 1.00 65.24 H new ATOM 0 HB2 LEU A 51 21.916 58.092 -20.615 1.00 34.13 H new ATOM 0 HB3 LEU A 51 22.216 57.158 -19.163 1.00 34.13 H new ATOM 0 HG LEU A 51 22.377 60.118 -18.885 1.00 14.14 H new ATOM 0 HD11 LEU A 51 19.925 60.321 -18.694 1.00 42.24 H new ATOM 0 HD12 LEU A 51 20.424 59.870 -20.342 1.00 42.24 H new ATOM 0 HD13 LEU A 51 19.749 58.639 -19.247 1.00 42.24 H new ATOM 0 HD21 LEU A 51 21.241 59.608 -16.750 1.00 32.32 H new ATOM 0 HD22 LEU A 51 21.111 57.901 -17.234 1.00 32.32 H new ATOM 0 HD23 LEU A 51 22.712 58.630 -16.964 1.00 32.32 H new ATOM 742 N ASP A 52 24.990 60.418 -20.072 1.00 2.23 N ATOM 743 CA ASP A 52 25.243 61.741 -20.644 1.00 12.25 C ATOM 744 C ASP A 52 25.917 61.645 -22.009 1.00 34.31 C ATOM 745 O ASP A 52 25.340 62.031 -23.025 1.00 33.15 O ATOM 746 CB ASP A 52 26.106 62.562 -19.684 1.00 5.20 C ATOM 747 CG ASP A 52 26.620 63.852 -20.294 1.00 62.52 C ATOM 748 OD1 ASP A 52 27.856 63.992 -20.435 1.00 12.41 O ATOM 749 OD2 ASP A 52 25.802 64.727 -20.626 1.00 63.02 O1- ATOM 0 H ASP A 52 25.483 60.242 -19.196 1.00 2.23 H new ATOM 0 HA ASP A 52 24.283 62.237 -20.786 1.00 12.25 H new ATOM 0 HB2 ASP A 52 25.524 62.796 -18.793 1.00 5.20 H new ATOM 0 HB3 ASP A 52 26.954 61.958 -19.361 1.00 5.20 H new ATOM 754 N ASN A 53 27.122 61.087 -22.030 1.00 61.25 N ATOM 755 CA ASN A 53 27.904 60.978 -23.260 1.00 42.12 C ATOM 756 C ASN A 53 27.254 59.973 -24.207 1.00 63.01 C ATOM 757 O ASN A 53 27.512 59.971 -25.411 1.00 23.25 O ATOM 758 CB ASN A 53 29.347 60.564 -22.935 1.00 44.53 C ATOM 759 CG ASN A 53 30.273 60.630 -24.135 1.00 73.01 C ATOM 760 OD1 ASN A 53 30.484 59.640 -24.836 1.00 72.42 O ATOM 761 ND2 ASN A 53 30.841 61.803 -24.372 1.00 31.23 N ATOM 0 H ASN A 53 27.582 60.701 -21.206 1.00 61.25 H new ATOM 0 HA ASN A 53 27.928 61.950 -23.753 1.00 42.12 H new ATOM 0 HB2 ASN A 53 29.735 61.211 -22.149 1.00 44.53 H new ATOM 0 HB3 ASN A 53 29.346 59.548 -22.540 1.00 44.53 H new ATOM 0 HD21 ASN A 53 31.480 61.910 -25.160 1.00 31.23 H new ATOM 0 HD22 ASN A 53 30.639 62.599 -23.767 1.00 31.23 H new ATOM 768 N PHE A 54 26.388 59.137 -23.648 1.00 22.14 N ATOM 769 CA PHE A 54 25.662 58.146 -24.423 1.00 43.23 C ATOM 770 C PHE A 54 24.571 58.811 -25.262 1.00 0.30 C ATOM 771 O PHE A 54 24.578 58.712 -26.490 1.00 51.31 O ATOM 772 CB PHE A 54 25.053 57.094 -23.488 1.00 64.13 C ATOM 773 CG PHE A 54 24.234 56.047 -24.194 1.00 32.43 C ATOM 774 CD1 PHE A 54 24.835 55.137 -25.051 1.00 20.25 C ATOM 775 CD2 PHE A 54 22.866 55.972 -23.992 1.00 52.44 C ATOM 776 CE1 PHE A 54 24.084 54.172 -25.695 1.00 74.25 C ATOM 777 CE2 PHE A 54 22.111 55.010 -24.632 1.00 41.13 C ATOM 778 CZ PHE A 54 22.720 54.109 -25.484 1.00 1.54 C ATOM 0 H PHE A 54 26.172 59.128 -22.651 1.00 22.14 H new ATOM 0 HA PHE A 54 26.359 57.654 -25.101 1.00 43.23 H new ATOM 0 HB2 PHE A 54 25.856 56.603 -22.939 1.00 64.13 H new ATOM 0 HB3 PHE A 54 24.425 57.597 -22.753 1.00 64.13 H new ATOM 0 HD1 PHE A 54 25.901 55.183 -25.217 1.00 20.25 H new ATOM 0 HD2 PHE A 54 22.385 56.674 -23.327 1.00 52.44 H new ATOM 0 HE1 PHE A 54 24.562 53.469 -26.361 1.00 74.25 H new ATOM 0 HE2 PHE A 54 21.045 54.962 -24.467 1.00 41.13 H new ATOM 0 HZ PHE A 54 22.130 53.356 -25.985 1.00 1.54 H new ATOM 788 N THR A 55 23.657 59.516 -24.599 1.00 75.41 N ATOM 789 CA THR A 55 22.543 60.163 -25.286 1.00 62.12 C ATOM 790 C THR A 55 23.042 61.345 -26.118 1.00 21.25 C ATOM 791 O THR A 55 22.377 61.793 -27.057 1.00 1.24 O ATOM 792 CB THR A 55 21.452 60.634 -24.288 1.00 4.21 C ATOM 793 OG1 THR A 55 20.239 60.941 -24.988 1.00 21.43 O ATOM 794 CG2 THR A 55 21.904 61.857 -23.498 1.00 4.31 C ATOM 0 H THR A 55 23.666 59.653 -23.588 1.00 75.41 H new ATOM 0 HA THR A 55 22.093 59.425 -25.950 1.00 62.12 H new ATOM 0 HB THR A 55 21.276 59.818 -23.586 1.00 4.21 H new ATOM 0 HG1 THR A 55 19.558 61.235 -24.348 1.00 21.43 H new ATOM 0 HG21 THR A 55 21.114 62.158 -22.810 1.00 4.31 H new ATOM 0 HG22 THR A 55 22.804 61.613 -22.933 1.00 4.31 H new ATOM 0 HG23 THR A 55 22.117 62.676 -24.185 1.00 4.31 H new ATOM 802 N GLN A 56 24.239 61.814 -25.784 1.00 32.54 N ATOM 803 CA GLN A 56 24.868 62.926 -26.485 1.00 40.22 C ATOM 804 C GLN A 56 25.098 62.557 -27.948 1.00 42.31 C ATOM 805 O GLN A 56 24.968 63.393 -28.844 1.00 33.50 O ATOM 806 CB GLN A 56 26.201 63.267 -25.816 1.00 24.31 C ATOM 807 CG GLN A 56 26.619 64.720 -25.963 1.00 3.12 C ATOM 808 CD GLN A 56 25.666 65.671 -25.263 1.00 23.51 C ATOM 809 OE1 GLN A 56 24.723 66.185 -25.866 1.00 22.43 O ATOM 810 NE2 GLN A 56 25.888 65.895 -23.978 1.00 51.20 N ATOM 0 H GLN A 56 24.799 61.434 -25.021 1.00 32.54 H new ATOM 0 HA GLN A 56 24.212 63.795 -26.440 1.00 40.22 H new ATOM 0 HB2 GLN A 56 26.134 63.026 -24.755 1.00 24.31 H new ATOM 0 HB3 GLN A 56 26.980 62.632 -26.239 1.00 24.31 H new ATOM 0 HG2 GLN A 56 27.622 64.850 -25.555 1.00 3.12 H new ATOM 0 HG3 GLN A 56 26.670 64.975 -27.022 1.00 3.12 H new ATOM 0 HE21 GLN A 56 26.680 65.451 -23.512 1.00 51.20 H new ATOM 0 HE22 GLN A 56 25.268 66.511 -23.453 1.00 51.20 H new ATOM 819 N ALA A 57 25.418 61.290 -28.183 1.00 43.12 N ATOM 820 CA ALA A 57 25.682 60.798 -29.530 1.00 74.22 C ATOM 821 C ALA A 57 24.386 60.409 -30.233 1.00 13.44 C ATOM 822 O ALA A 57 24.330 60.327 -31.461 1.00 44.41 O ATOM 823 CB ALA A 57 26.630 59.610 -29.482 1.00 32.32 C ATOM 0 H ALA A 57 25.501 60.581 -27.454 1.00 43.12 H new ATOM 0 HA ALA A 57 26.151 61.602 -30.098 1.00 74.22 H new ATOM 0 HB1 ALA A 57 26.818 59.253 -30.495 1.00 32.32 H new ATOM 0 HB2 ALA A 57 27.571 59.914 -29.024 1.00 32.32 H new ATOM 0 HB3 ALA A 57 26.181 58.810 -28.893 1.00 32.32 H new ATOM 829 N ILE A 58 23.343 60.177 -29.446 1.00 52.41 N ATOM 830 CA ILE A 58 22.062 59.741 -29.986 1.00 43.42 C ATOM 831 C ILE A 58 21.370 60.878 -30.729 1.00 42.32 C ATOM 832 O ILE A 58 20.615 60.643 -31.669 1.00 2.22 O ATOM 833 CB ILE A 58 21.132 59.203 -28.878 1.00 4.31 C ATOM 834 CG1 ILE A 58 21.847 58.106 -28.085 1.00 33.32 C ATOM 835 CG2 ILE A 58 19.834 58.669 -29.471 1.00 22.11 C ATOM 836 CD1 ILE A 58 20.966 57.420 -27.065 1.00 75.03 C ATOM 0 H ILE A 58 23.359 60.284 -28.432 1.00 52.41 H new ATOM 0 HA ILE A 58 22.268 58.931 -30.685 1.00 43.42 H new ATOM 0 HB ILE A 58 20.883 60.024 -28.205 1.00 4.31 H new ATOM 0 HG12 ILE A 58 22.232 57.360 -28.780 1.00 33.32 H new ATOM 0 HG13 ILE A 58 22.707 58.540 -27.575 1.00 33.32 H new ATOM 0 HG21 ILE A 58 19.195 58.295 -28.671 1.00 22.11 H new ATOM 0 HG22 ILE A 58 19.320 59.470 -30.002 1.00 22.11 H new ATOM 0 HG23 ILE A 58 20.057 57.859 -30.165 1.00 22.11 H new ATOM 0 HD11 ILE A 58 21.541 56.656 -26.543 1.00 75.03 H new ATOM 0 HD12 ILE A 58 20.602 58.154 -26.346 1.00 75.03 H new ATOM 0 HD13 ILE A 58 20.119 56.955 -27.570 1.00 75.03 H new ATOM 848 N GLN A 59 21.660 62.110 -30.327 1.00 20.32 N ATOM 849 CA GLN A 59 21.058 63.281 -30.958 1.00 43.14 C ATOM 850 C GLN A 59 21.292 63.278 -32.466 1.00 30.01 C ATOM 851 O GLN A 59 20.420 63.682 -33.234 1.00 22.32 O ATOM 852 CB GLN A 59 21.610 64.569 -30.349 1.00 0.24 C ATOM 853 CG GLN A 59 21.245 64.750 -28.887 1.00 33.03 C ATOM 854 CD GLN A 59 21.773 66.044 -28.305 1.00 32.54 C ATOM 855 OE1 GLN A 59 21.929 67.043 -29.011 1.00 24.13 O ATOM 856 NE2 GLN A 59 22.054 66.032 -27.014 1.00 51.23 N ATOM 0 H GLN A 59 22.307 62.325 -29.568 1.00 20.32 H new ATOM 0 HA GLN A 59 19.984 63.236 -30.776 1.00 43.14 H new ATOM 0 HB2 GLN A 59 22.696 64.573 -30.448 1.00 0.24 H new ATOM 0 HB3 GLN A 59 21.235 65.420 -30.917 1.00 0.24 H new ATOM 0 HG2 GLN A 59 20.160 64.726 -28.783 1.00 33.03 H new ATOM 0 HG3 GLN A 59 21.639 63.911 -28.313 1.00 33.03 H new ATOM 0 HE21 GLN A 59 21.909 65.182 -26.468 1.00 51.23 H new ATOM 0 HE22 GLN A 59 22.416 66.872 -26.563 1.00 51.23 H new ATOM 865 N SER A 60 22.459 62.798 -32.883 1.00 51.04 N ATOM 866 CA SER A 60 22.801 62.720 -34.297 1.00 11.41 C ATOM 867 C SER A 60 21.844 61.788 -35.041 1.00 54.31 C ATOM 868 O SER A 60 21.263 62.159 -36.062 1.00 71.15 O ATOM 869 CB SER A 60 24.238 62.227 -34.450 1.00 73.34 C ATOM 870 OG SER A 60 25.116 62.992 -33.643 1.00 3.51 O ATOM 0 H SER A 60 23.187 62.455 -32.257 1.00 51.04 H new ATOM 0 HA SER A 60 22.710 63.715 -34.732 1.00 11.41 H new ATOM 0 HB2 SER A 60 24.300 61.176 -34.168 1.00 73.34 H new ATOM 0 HB3 SER A 60 24.543 62.296 -35.494 1.00 73.34 H new ATOM 0 HG SER A 60 26.032 62.661 -33.752 1.00 3.51 H new ATOM 876 N GLN A 61 21.658 60.584 -34.506 1.00 30.10 N ATOM 877 CA GLN A 61 20.808 59.589 -35.154 1.00 24.42 C ATOM 878 C GLN A 61 19.331 59.942 -34.984 1.00 14.32 C ATOM 879 O GLN A 61 18.472 59.441 -35.715 1.00 1.12 O ATOM 880 CB GLN A 61 21.114 58.181 -34.624 1.00 64.21 C ATOM 881 CG GLN A 61 20.911 58.011 -33.129 1.00 32.32 C ATOM 882 CD GLN A 61 21.408 56.669 -32.627 1.00 64.01 C ATOM 883 OE1 GLN A 61 20.669 55.685 -32.611 1.00 52.54 O ATOM 884 NE2 GLN A 61 22.667 56.621 -32.218 1.00 61.52 N ATOM 0 H GLN A 61 22.081 60.275 -33.631 1.00 30.10 H new ATOM 0 HA GLN A 61 21.028 59.595 -36.222 1.00 24.42 H new ATOM 0 HB2 GLN A 61 20.481 57.464 -35.147 1.00 64.21 H new ATOM 0 HB3 GLN A 61 22.147 57.932 -34.868 1.00 64.21 H new ATOM 0 HG2 GLN A 61 21.433 58.809 -32.601 1.00 32.32 H new ATOM 0 HG3 GLN A 61 19.851 58.114 -32.895 1.00 32.32 H new ATOM 0 HE21 GLN A 61 23.245 57.461 -32.248 1.00 61.52 H new ATOM 0 HE22 GLN A 61 23.058 55.744 -31.873 1.00 61.52 H new ATOM 893 N ILE A 62 19.041 60.822 -34.030 1.00 25.21 N ATOM 894 CA ILE A 62 17.694 61.350 -33.864 1.00 60.23 C ATOM 895 C ILE A 62 17.388 62.327 -34.991 1.00 4.22 C ATOM 896 O ILE A 62 16.361 62.216 -35.659 1.00 73.53 O ATOM 897 CB ILE A 62 17.510 62.058 -32.499 1.00 31.41 C ATOM 898 CG1 ILE A 62 17.571 61.041 -31.357 1.00 75.12 C ATOM 899 CG2 ILE A 62 16.194 62.828 -32.457 1.00 11.33 C ATOM 900 CD1 ILE A 62 17.487 61.664 -29.979 1.00 54.33 C ATOM 0 H ILE A 62 19.721 61.183 -33.361 1.00 25.21 H new ATOM 0 HA ILE A 62 17.002 60.508 -33.895 1.00 60.23 H new ATOM 0 HB ILE A 62 18.324 62.772 -32.374 1.00 31.41 H new ATOM 0 HG12 ILE A 62 16.755 60.328 -31.474 1.00 75.12 H new ATOM 0 HG13 ILE A 62 18.500 60.477 -31.435 1.00 75.12 H new ATOM 0 HG21 ILE A 62 16.089 63.316 -31.488 1.00 11.33 H new ATOM 0 HG22 ILE A 62 16.188 63.581 -33.245 1.00 11.33 H new ATOM 0 HG23 ILE A 62 15.364 62.138 -32.608 1.00 11.33 H new ATOM 0 HD11 ILE A 62 17.537 60.881 -29.222 1.00 54.33 H new ATOM 0 HD12 ILE A 62 18.318 62.355 -29.841 1.00 54.33 H new ATOM 0 HD13 ILE A 62 16.545 62.204 -29.881 1.00 54.33 H new ATOM 912 N LEU A 63 18.302 63.269 -35.207 1.00 64.35 N ATOM 913 CA LEU A 63 18.167 64.245 -36.284 1.00 53.53 C ATOM 914 C LEU A 63 18.113 63.540 -37.635 1.00 34.31 C ATOM 915 O LEU A 63 17.314 63.897 -38.504 1.00 74.53 O ATOM 916 CB LEU A 63 19.335 65.232 -36.255 1.00 24.15 C ATOM 917 CG LEU A 63 19.419 66.112 -35.003 1.00 14.34 C ATOM 918 CD1 LEU A 63 20.643 67.012 -35.063 1.00 52.54 C ATOM 919 CD2 LEU A 63 18.154 66.943 -34.847 1.00 61.01 C ATOM 0 H LEU A 63 19.148 63.377 -34.647 1.00 64.35 H new ATOM 0 HA LEU A 63 17.237 64.795 -36.138 1.00 53.53 H new ATOM 0 HB2 LEU A 63 20.265 64.671 -36.348 1.00 24.15 H new ATOM 0 HB3 LEU A 63 19.264 65.879 -37.129 1.00 24.15 H new ATOM 0 HG LEU A 63 19.513 65.462 -34.133 1.00 14.34 H new ATOM 0 HD11 LEU A 63 20.685 67.629 -34.165 1.00 52.54 H new ATOM 0 HD12 LEU A 63 21.542 66.399 -35.125 1.00 52.54 H new ATOM 0 HD13 LEU A 63 20.580 67.654 -35.942 1.00 52.54 H new ATOM 0 HD21 LEU A 63 18.233 67.561 -33.953 1.00 61.01 H new ATOM 0 HD22 LEU A 63 18.029 67.583 -35.720 1.00 61.01 H new ATOM 0 HD23 LEU A 63 17.293 66.281 -34.756 1.00 61.01 H new ATOM 931 N GLY A 64 18.965 62.535 -37.798 1.00 54.14 N ATOM 932 CA GLY A 64 18.959 61.739 -39.011 1.00 43.53 C ATOM 933 C GLY A 64 17.626 61.057 -39.242 1.00 42.50 C ATOM 934 O GLY A 64 17.108 61.059 -40.358 1.00 45.41 O ATOM 0 H GLY A 64 19.663 62.256 -37.108 1.00 54.14 H new ATOM 0 HA2 GLY A 64 19.191 62.377 -39.863 1.00 43.53 H new ATOM 0 HA3 GLY A 64 19.745 60.986 -38.953 1.00 43.53 H new ATOM 938 N GLY A 65 17.064 60.488 -38.181 1.00 25.24 N ATOM 939 CA GLY A 65 15.777 59.825 -38.276 1.00 5.50 C ATOM 940 C GLY A 65 14.654 60.787 -38.608 1.00 33.53 C ATOM 941 O GLY A 65 13.722 60.440 -39.336 1.00 11.34 O ATOM 0 H GLY A 65 17.481 60.475 -37.250 1.00 25.24 H new ATOM 0 HA2 GLY A 65 15.826 59.050 -39.041 1.00 5.50 H new ATOM 0 HA3 GLY A 65 15.558 59.327 -37.332 1.00 5.50 H new ATOM 945 N LEU A 66 14.749 62.002 -38.080 1.00 53.33 N ATOM 946 CA LEU A 66 13.758 63.036 -38.346 1.00 72.23 C ATOM 947 C LEU A 66 13.714 63.366 -39.831 1.00 34.12 C ATOM 948 O LEU A 66 12.652 63.332 -40.450 1.00 33.03 O ATOM 949 CB LEU A 66 14.067 64.300 -37.542 1.00 31.31 C ATOM 950 CG LEU A 66 14.003 64.136 -36.024 1.00 64.21 C ATOM 951 CD1 LEU A 66 14.389 65.432 -35.329 1.00 22.03 C ATOM 952 CD2 LEU A 66 12.612 63.691 -35.597 1.00 65.03 C ATOM 0 H LEU A 66 15.506 62.295 -37.463 1.00 53.33 H new ATOM 0 HA LEU A 66 12.783 62.655 -38.040 1.00 72.23 H new ATOM 0 HB2 LEU A 66 15.064 64.649 -37.812 1.00 31.31 H new ATOM 0 HB3 LEU A 66 13.365 65.080 -37.837 1.00 31.31 H new ATOM 0 HG LEU A 66 14.716 63.366 -35.729 1.00 64.21 H new ATOM 0 HD11 LEU A 66 14.337 65.295 -34.249 1.00 22.03 H new ATOM 0 HD12 LEU A 66 15.405 65.708 -35.612 1.00 22.03 H new ATOM 0 HD13 LEU A 66 13.702 66.224 -35.628 1.00 22.03 H new ATOM 0 HD21 LEU A 66 12.583 63.579 -34.513 1.00 65.03 H new ATOM 0 HD22 LEU A 66 11.881 64.438 -35.904 1.00 65.03 H new ATOM 0 HD23 LEU A 66 12.375 62.737 -36.067 1.00 65.03 H new ATOM 964 N LEU A 67 14.879 63.659 -40.397 1.00 53.21 N ATOM 965 CA LEU A 67 14.979 64.009 -41.811 1.00 64.45 C ATOM 966 C LEU A 67 14.679 62.804 -42.696 1.00 60.43 C ATOM 967 O LEU A 67 14.139 62.944 -43.792 1.00 44.24 O ATOM 968 CB LEU A 67 16.374 64.555 -42.123 1.00 51.43 C ATOM 969 CG LEU A 67 16.763 65.818 -41.350 1.00 3.00 C ATOM 970 CD1 LEU A 67 18.175 66.254 -41.712 1.00 70.32 C ATOM 971 CD2 LEU A 67 15.772 66.942 -41.622 1.00 22.21 C ATOM 0 H LEU A 67 15.769 63.661 -39.899 1.00 53.21 H new ATOM 0 HA LEU A 67 14.238 64.780 -42.022 1.00 64.45 H new ATOM 0 HB2 LEU A 67 17.108 63.777 -41.911 1.00 51.43 H new ATOM 0 HB3 LEU A 67 16.434 64.768 -43.190 1.00 51.43 H new ATOM 0 HG LEU A 67 16.736 65.587 -40.285 1.00 3.00 H new ATOM 0 HD11 LEU A 67 18.433 67.153 -41.152 1.00 70.32 H new ATOM 0 HD12 LEU A 67 18.877 65.458 -41.463 1.00 70.32 H new ATOM 0 HD13 LEU A 67 18.228 66.464 -42.780 1.00 70.32 H new ATOM 0 HD21 LEU A 67 16.067 67.830 -41.063 1.00 22.21 H new ATOM 0 HD22 LEU A 67 15.764 67.170 -42.688 1.00 22.21 H new ATOM 0 HD23 LEU A 67 14.775 66.631 -41.310 1.00 22.21 H new ATOM 983 N SER A 68 15.022 61.622 -42.198 1.00 40.32 N ATOM 984 CA SER A 68 14.793 60.376 -42.917 1.00 11.31 C ATOM 985 C SER A 68 13.316 60.216 -43.274 1.00 75.02 C ATOM 986 O SER A 68 12.970 59.961 -44.429 1.00 75.11 O ATOM 987 CB SER A 68 15.257 59.196 -42.059 1.00 0.14 C ATOM 988 OG SER A 68 15.094 57.964 -42.734 1.00 4.11 O ATOM 0 H SER A 68 15.465 61.501 -41.287 1.00 40.32 H new ATOM 0 HA SER A 68 15.365 60.399 -43.844 1.00 11.31 H new ATOM 0 HB2 SER A 68 16.306 59.329 -41.793 1.00 0.14 H new ATOM 0 HB3 SER A 68 14.691 59.178 -41.127 1.00 0.14 H new ATOM 0 HG SER A 68 15.893 57.777 -43.270 1.00 4.11 H new ATOM 994 N ASN A 69 12.446 60.403 -42.281 1.00 22.22 N ATOM 995 CA ASN A 69 11.006 60.226 -42.476 1.00 3.21 C ATOM 996 C ASN A 69 10.404 61.357 -43.304 1.00 33.23 C ATOM 997 O ASN A 69 9.320 61.212 -43.868 1.00 41.32 O ATOM 998 CB ASN A 69 10.280 60.127 -41.129 1.00 53.44 C ATOM 999 CG ASN A 69 10.488 58.792 -40.439 1.00 25.14 C ATOM 1000 OD1 ASN A 69 9.753 57.837 -40.684 1.00 41.35 O ATOM 1001 ND2 ASN A 69 11.479 58.713 -39.564 1.00 2.13 N ATOM 0 H ASN A 69 12.712 60.676 -41.335 1.00 22.22 H new ATOM 0 HA ASN A 69 10.871 59.294 -43.024 1.00 3.21 H new ATOM 0 HB2 ASN A 69 10.629 60.926 -40.475 1.00 53.44 H new ATOM 0 HB3 ASN A 69 9.213 60.286 -41.285 1.00 53.44 H new ATOM 0 HD21 ASN A 69 11.653 57.839 -39.068 1.00 2.13 H new ATOM 0 HD22 ASN A 69 12.069 59.526 -39.386 1.00 2.13 H new ATOM 1008 N ILE A 70 11.107 62.481 -43.374 1.00 71.41 N ATOM 1009 CA ILE A 70 10.665 63.610 -44.181 1.00 54.25 C ATOM 1010 C ILE A 70 10.922 63.332 -45.660 1.00 15.54 C ATOM 1011 O ILE A 70 10.121 63.693 -46.525 1.00 23.53 O ATOM 1012 CB ILE A 70 11.379 64.920 -43.762 1.00 3.10 C ATOM 1013 CG1 ILE A 70 11.047 65.271 -42.303 1.00 23.53 C ATOM 1014 CG2 ILE A 70 10.993 66.067 -44.686 1.00 12.32 C ATOM 1015 CD1 ILE A 70 9.568 65.479 -42.037 1.00 42.43 C ATOM 0 H ILE A 70 11.987 62.634 -42.881 1.00 71.41 H new ATOM 0 HA ILE A 70 9.595 63.738 -44.015 1.00 54.25 H new ATOM 0 HB ILE A 70 12.454 64.762 -43.845 1.00 3.10 H new ATOM 0 HG12 ILE A 70 11.413 64.473 -41.656 1.00 23.53 H new ATOM 0 HG13 ILE A 70 11.586 66.177 -42.027 1.00 23.53 H new ATOM 0 HG21 ILE A 70 11.507 66.976 -44.372 1.00 12.32 H new ATOM 0 HG22 ILE A 70 11.280 65.823 -45.709 1.00 12.32 H new ATOM 0 HG23 ILE A 70 9.915 66.225 -44.640 1.00 12.32 H new ATOM 0 HD11 ILE A 70 9.418 65.723 -40.985 1.00 42.43 H new ATOM 0 HD12 ILE A 70 9.199 66.297 -42.655 1.00 42.43 H new ATOM 0 HD13 ILE A 70 9.023 64.567 -42.279 1.00 42.43 H new ATOM 1129 N MET A 78 17.506 46.002 -40.594 1.00 12.00 N ATOM 1130 CA MET A 78 17.368 44.568 -40.398 1.00 2.03 C ATOM 1131 C MET A 78 18.381 44.072 -39.378 1.00 70.13 C ATOM 1132 O MET A 78 19.577 43.997 -39.658 1.00 44.34 O ATOM 1133 CB MET A 78 17.547 43.811 -41.715 1.00 63.14 C ATOM 1134 CG MET A 78 17.441 42.302 -41.560 1.00 52.15 C ATOM 1135 SD MET A 78 17.676 41.416 -43.111 1.00 73.31 S ATOM 1136 CE MET A 78 17.582 39.722 -42.534 1.00 35.54 C ATOM 0 HA MET A 78 16.361 44.379 -40.025 1.00 2.03 H new ATOM 0 HB2 MET A 78 16.794 44.150 -42.426 1.00 63.14 H new ATOM 0 HB3 MET A 78 18.520 44.058 -42.139 1.00 63.14 H new ATOM 0 HG2 MET A 78 18.185 41.963 -40.838 1.00 52.15 H new ATOM 0 HG3 MET A 78 16.462 42.052 -41.150 1.00 52.15 H new ATOM 0 HE1 MET A 78 17.709 39.043 -43.377 1.00 35.54 H new ATOM 0 HE2 MET A 78 18.369 39.543 -41.802 1.00 35.54 H new ATOM 0 HE3 MET A 78 16.610 39.548 -42.072 1.00 35.54 H new ATOM 1146 N VAL A 79 17.894 43.740 -38.197 1.00 63.22 N ATOM 1147 CA VAL A 79 18.753 43.247 -37.137 1.00 53.31 C ATOM 1148 C VAL A 79 19.122 41.796 -37.408 1.00 34.33 C ATOM 1149 O VAL A 79 18.295 40.892 -37.273 1.00 23.05 O ATOM 1150 CB VAL A 79 18.078 43.359 -35.754 1.00 51.15 C ATOM 1151 CG1 VAL A 79 19.031 42.920 -34.651 1.00 62.34 C ATOM 1152 CG2 VAL A 79 17.590 44.781 -35.509 1.00 20.14 C ATOM 0 H VAL A 79 16.907 43.803 -37.948 1.00 63.22 H new ATOM 0 HA VAL A 79 19.651 43.865 -37.123 1.00 53.31 H new ATOM 0 HB VAL A 79 17.215 42.694 -35.741 1.00 51.15 H new ATOM 0 HG11 VAL A 79 18.534 43.007 -33.685 1.00 62.34 H new ATOM 0 HG12 VAL A 79 19.325 41.883 -34.816 1.00 62.34 H new ATOM 0 HG13 VAL A 79 19.917 43.555 -34.662 1.00 62.34 H new ATOM 0 HG21 VAL A 79 17.117 44.840 -34.529 1.00 20.14 H new ATOM 0 HG22 VAL A 79 18.436 45.467 -35.545 1.00 20.14 H new ATOM 0 HG23 VAL A 79 16.867 45.055 -36.278 1.00 20.14 H new ATOM 1162 N THR A 80 20.359 41.589 -37.822 1.00 24.24 N ATOM 1163 CA THR A 80 20.842 40.264 -38.152 1.00 43.31 C ATOM 1164 C THR A 80 21.265 39.524 -36.884 1.00 22.22 C ATOM 1165 O THR A 80 21.492 40.145 -35.842 1.00 20.53 O ATOM 1166 CB THR A 80 22.013 40.359 -39.147 1.00 4.42 C ATOM 1167 OG1 THR A 80 21.695 41.324 -40.154 1.00 23.43 O ATOM 1168 CG2 THR A 80 22.290 39.020 -39.812 1.00 23.11 C ATOM 0 H THR A 80 21.051 42.329 -37.938 1.00 24.24 H new ATOM 0 HA THR A 80 20.036 39.701 -38.623 1.00 43.31 H new ATOM 0 HB THR A 80 22.905 40.657 -38.596 1.00 4.42 H new ATOM 0 HG1 THR A 80 22.137 41.079 -40.993 1.00 23.43 H new ATOM 0 HG21 THR A 80 23.123 39.125 -40.508 1.00 23.11 H new ATOM 0 HG22 THR A 80 22.543 38.281 -39.051 1.00 23.11 H new ATOM 0 HG23 THR A 80 21.403 38.693 -40.354 1.00 23.11 H new ATOM 1176 N ASN A 81 21.334 38.202 -36.974 1.00 12.13 N ATOM 1177 CA ASN A 81 21.666 37.350 -35.835 1.00 13.33 C ATOM 1178 C ASN A 81 22.982 37.771 -35.193 1.00 53.52 C ATOM 1179 O ASN A 81 23.028 38.143 -34.019 1.00 72.31 O ATOM 1180 CB ASN A 81 21.770 35.883 -36.271 1.00 31.34 C ATOM 1181 CG ASN A 81 20.486 35.326 -36.864 1.00 23.22 C ATOM 1182 OD1 ASN A 81 19.692 36.048 -37.469 1.00 55.05 O ATOM 1183 ND2 ASN A 81 20.284 34.028 -36.706 1.00 51.02 N ATOM 0 H ASN A 81 21.162 37.688 -37.838 1.00 12.13 H new ATOM 0 HA ASN A 81 20.865 37.460 -35.104 1.00 13.33 H new ATOM 0 HB2 ASN A 81 22.569 35.788 -37.006 1.00 31.34 H new ATOM 0 HB3 ASN A 81 22.054 35.277 -35.411 1.00 31.34 H new ATOM 0 HD21 ASN A 81 19.447 33.591 -37.092 1.00 51.02 H new ATOM 0 HD22 ASN A 81 20.966 33.464 -36.198 1.00 51.02 H new ATOM 1190 N ASP A 82 24.047 37.718 -35.975 1.00 32.11 N ATOM 1191 CA ASP A 82 25.384 38.005 -35.472 1.00 24.13 C ATOM 1192 C ASP A 82 25.918 39.316 -36.039 1.00 61.51 C ATOM 1193 O ASP A 82 26.586 40.080 -35.345 1.00 75.51 O ATOM 1194 CB ASP A 82 26.343 36.868 -35.838 1.00 23.52 C ATOM 1195 CG ASP A 82 26.033 35.555 -35.137 1.00 72.21 C ATOM 1196 OD1 ASP A 82 24.950 34.983 -35.375 1.00 63.25 O ATOM 1197 OD2 ASP A 82 26.896 35.067 -34.381 1.00 30.43 O1- ATOM 0 H ASP A 82 24.013 37.478 -36.966 1.00 32.11 H new ATOM 0 HA ASP A 82 25.318 38.095 -34.388 1.00 24.13 H new ATOM 0 HB2 ASP A 82 26.310 36.710 -36.916 1.00 23.52 H new ATOM 0 HB3 ASP A 82 27.361 37.170 -35.591 1.00 23.52 H new ATOM 1202 N TYR A 83 25.625 39.560 -37.308 1.00 2.10 N ATOM 1203 CA TYR A 83 26.108 40.750 -38.003 1.00 61.22 C ATOM 1204 C TYR A 83 25.286 41.978 -37.650 1.00 25.13 C ATOM 1205 O TYR A 83 24.067 41.901 -37.496 1.00 35.42 O ATOM 1206 CB TYR A 83 26.065 40.536 -39.517 1.00 22.35 C ATOM 1207 CG TYR A 83 27.169 39.648 -40.048 1.00 63.34 C ATOM 1208 CD1 TYR A 83 28.145 40.161 -40.892 1.00 54.31 C ATOM 1209 CD2 TYR A 83 27.240 38.302 -39.706 1.00 61.31 C ATOM 1210 CE1 TYR A 83 29.158 39.359 -41.381 1.00 54.50 C ATOM 1211 CE2 TYR A 83 28.249 37.494 -40.192 1.00 43.02 C ATOM 1212 CZ TYR A 83 29.205 38.029 -41.028 1.00 0.23 C ATOM 1213 OH TYR A 83 30.214 37.230 -41.514 1.00 35.22 O ATOM 0 H TYR A 83 25.050 38.945 -37.884 1.00 2.10 H new ATOM 0 HA TYR A 83 27.136 40.917 -37.681 1.00 61.22 H new ATOM 0 HB2 TYR A 83 25.103 40.100 -39.784 1.00 22.35 H new ATOM 0 HB3 TYR A 83 26.124 41.505 -40.012 1.00 22.35 H new ATOM 0 HD1 TYR A 83 28.112 41.204 -41.171 1.00 54.31 H new ATOM 0 HD2 TYR A 83 26.493 37.881 -39.049 1.00 61.31 H new ATOM 0 HE1 TYR A 83 29.909 39.773 -42.037 1.00 54.50 H new ATOM 0 HE2 TYR A 83 28.289 36.450 -39.919 1.00 43.02 H new ATOM 0 HH TYR A 83 30.104 36.319 -41.170 1.00 35.22 H new ATOM 1223 N ILE A 84 25.961 43.111 -37.529 1.00 71.04 N ATOM 1224 CA ILE A 84 25.284 44.375 -37.296 1.00 33.43 C ATOM 1225 C ILE A 84 25.023 45.079 -38.618 1.00 24.33 C ATOM 1226 O ILE A 84 25.866 45.830 -39.111 1.00 13.30 O ATOM 1227 CB ILE A 84 26.101 45.305 -36.373 1.00 35.11 C ATOM 1228 CG1 ILE A 84 26.398 44.609 -35.045 1.00 70.51 C ATOM 1229 CG2 ILE A 84 25.360 46.616 -36.131 1.00 63.41 C ATOM 1230 CD1 ILE A 84 25.154 44.152 -34.317 1.00 21.15 C ATOM 0 H ILE A 84 26.977 43.180 -37.588 1.00 71.04 H new ATOM 0 HA ILE A 84 24.339 44.151 -36.800 1.00 33.43 H new ATOM 0 HB ILE A 84 27.045 45.533 -36.868 1.00 35.11 H new ATOM 0 HG12 ILE A 84 27.039 43.747 -35.230 1.00 70.51 H new ATOM 0 HG13 ILE A 84 26.957 45.290 -34.403 1.00 70.51 H new ATOM 0 HG21 ILE A 84 25.955 47.255 -35.478 1.00 63.41 H new ATOM 0 HG22 ILE A 84 25.196 47.122 -37.082 1.00 63.41 H new ATOM 0 HG23 ILE A 84 24.399 46.409 -35.659 1.00 63.41 H new ATOM 0 HD11 ILE A 84 25.437 43.666 -33.383 1.00 21.15 H new ATOM 0 HD12 ILE A 84 24.522 45.013 -34.101 1.00 21.15 H new ATOM 0 HD13 ILE A 84 24.606 43.446 -34.941 1.00 21.15 H new ATOM 1242 N VAL A 85 23.875 44.796 -39.201 1.00 45.21 N ATOM 1243 CA VAL A 85 23.485 45.421 -40.452 1.00 41.00 C ATOM 1244 C VAL A 85 22.600 46.631 -40.180 1.00 52.13 C ATOM 1245 O VAL A 85 21.525 46.508 -39.590 1.00 43.50 O ATOM 1246 CB VAL A 85 22.742 44.431 -41.373 1.00 62.43 C ATOM 1247 CG1 VAL A 85 22.313 45.107 -42.662 1.00 1.04 C ATOM 1248 CG2 VAL A 85 23.619 43.228 -41.670 1.00 64.33 C ATOM 0 H VAL A 85 23.193 44.135 -38.828 1.00 45.21 H new ATOM 0 HA VAL A 85 24.395 45.740 -40.960 1.00 41.00 H new ATOM 0 HB VAL A 85 21.845 44.091 -40.855 1.00 62.43 H new ATOM 0 HG11 VAL A 85 21.792 44.388 -43.294 1.00 1.04 H new ATOM 0 HG12 VAL A 85 21.647 45.939 -42.432 1.00 1.04 H new ATOM 0 HG13 VAL A 85 23.192 45.481 -43.187 1.00 1.04 H new ATOM 0 HG21 VAL A 85 23.082 42.538 -42.321 1.00 64.33 H new ATOM 0 HG22 VAL A 85 24.533 43.557 -42.165 1.00 64.33 H new ATOM 0 HG23 VAL A 85 23.873 42.724 -40.738 1.00 64.33 H new ATOM 1258 N ASP A 86 23.068 47.801 -40.577 1.00 31.13 N ATOM 1259 CA ASP A 86 22.314 49.028 -40.388 1.00 20.21 C ATOM 1260 C ASP A 86 21.998 49.670 -41.731 1.00 24.31 C ATOM 1261 O ASP A 86 22.898 50.009 -42.501 1.00 74.51 O ATOM 1262 CB ASP A 86 23.095 50.002 -39.504 1.00 4.42 C ATOM 1263 CG ASP A 86 22.351 51.297 -39.264 1.00 33.31 C ATOM 1264 OD1 ASP A 86 21.275 51.259 -38.633 1.00 21.44 O ATOM 1265 OD2 ASP A 86 22.852 52.362 -39.681 1.00 45.22 O1- ATOM 0 H ASP A 86 23.971 47.928 -41.034 1.00 31.13 H new ATOM 0 HA ASP A 86 21.375 48.784 -39.891 1.00 20.21 H new ATOM 0 HB2 ASP A 86 23.307 49.527 -38.546 1.00 4.42 H new ATOM 0 HB3 ASP A 86 24.055 50.221 -39.971 1.00 4.42 H new ATOM 1270 N ILE A 87 20.713 49.808 -42.015 1.00 70.13 N ATOM 1271 CA ILE A 87 20.268 50.427 -43.248 1.00 11.31 C ATOM 1272 C ILE A 87 19.952 51.894 -42.992 1.00 5.45 C ATOM 1273 O ILE A 87 18.861 52.236 -42.537 1.00 31.44 O ATOM 1274 CB ILE A 87 19.022 49.717 -43.823 1.00 73.15 C ATOM 1275 CG1 ILE A 87 19.282 48.209 -43.946 1.00 41.53 C ATOM 1276 CG2 ILE A 87 18.645 50.306 -45.179 1.00 33.35 C ATOM 1277 CD1 ILE A 87 18.085 47.415 -44.429 1.00 31.30 C ATOM 0 H ILE A 87 19.958 49.497 -41.403 1.00 70.13 H new ATOM 0 HA ILE A 87 21.070 50.340 -43.981 1.00 11.31 H new ATOM 0 HB ILE A 87 18.187 49.874 -43.140 1.00 73.15 H new ATOM 0 HG12 ILE A 87 20.113 48.049 -44.633 1.00 41.53 H new ATOM 0 HG13 ILE A 87 19.593 47.824 -42.975 1.00 41.53 H new ATOM 0 HG21 ILE A 87 17.765 49.792 -45.567 1.00 33.35 H new ATOM 0 HG22 ILE A 87 18.425 51.368 -45.066 1.00 33.35 H new ATOM 0 HG23 ILE A 87 19.475 50.179 -45.874 1.00 33.35 H new ATOM 0 HD11 ILE A 87 18.349 46.359 -44.489 1.00 31.30 H new ATOM 0 HD12 ILE A 87 17.258 47.543 -43.731 1.00 31.30 H new ATOM 0 HD13 ILE A 87 17.786 47.771 -45.415 1.00 31.30 H new ATOM 1289 N ALA A 88 20.923 52.752 -43.246 1.00 34.53 N ATOM 1290 CA ALA A 88 20.767 54.173 -42.984 1.00 21.21 C ATOM 1291 C ALA A 88 20.249 54.901 -44.216 1.00 23.43 C ATOM 1292 O ALA A 88 21.000 55.181 -45.149 1.00 54.14 O ATOM 1293 CB ALA A 88 22.084 54.774 -42.511 1.00 40.44 C ATOM 0 H ALA A 88 21.829 52.490 -43.634 1.00 34.53 H new ATOM 0 HA ALA A 88 20.029 54.295 -42.191 1.00 21.21 H new ATOM 0 HB1 ALA A 88 21.950 55.839 -42.319 1.00 40.44 H new ATOM 0 HB2 ALA A 88 22.402 54.277 -41.594 1.00 40.44 H new ATOM 0 HB3 ALA A 88 22.844 54.637 -43.280 1.00 40.44 H new ATOM 1299 N ASN A 89 18.957 55.177 -44.224 1.00 52.24 N ATOM 1300 CA ASN A 89 18.345 55.930 -45.310 1.00 21.13 C ATOM 1301 C ASN A 89 18.239 57.401 -44.939 1.00 22.12 C ATOM 1302 O ASN A 89 17.442 57.781 -44.078 1.00 62.21 O ATOM 1303 CB ASN A 89 16.952 55.383 -45.638 1.00 44.43 C ATOM 1304 CG ASN A 89 16.276 56.140 -46.777 1.00 51.24 C ATOM 1305 OD1 ASN A 89 15.624 57.161 -46.562 1.00 34.21 O ATOM 1306 ND2 ASN A 89 16.409 55.629 -47.992 1.00 52.10 N ATOM 0 H ASN A 89 18.308 54.891 -43.490 1.00 52.24 H new ATOM 0 HA ASN A 89 18.979 55.824 -46.190 1.00 21.13 H new ATOM 0 HB2 ASN A 89 17.033 54.329 -45.905 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.325 55.439 -44.748 1.00 44.43 H new ATOM 0 HD21 ASN A 89 15.963 56.084 -48.788 1.00 52.10 H new ATOM 0 HD22 ASN A 89 16.958 54.781 -48.131 1.00 52.10 H new ATOM 1313 N ARG A 90 19.060 58.220 -45.569 1.00 34.23 N ATOM 1314 CA ARG A 90 19.004 59.658 -45.368 1.00 61.53 C ATOM 1315 C ARG A 90 19.132 60.378 -46.694 1.00 14.51 C ATOM 1316 O ARG A 90 20.002 60.050 -47.502 1.00 31.12 O ATOM 1317 CB ARG A 90 20.106 60.138 -44.421 1.00 1.00 C ATOM 1318 CG ARG A 90 19.599 60.566 -43.056 1.00 75.44 C ATOM 1319 CD ARG A 90 20.502 61.628 -42.451 1.00 14.21 C ATOM 1320 NE ARG A 90 20.543 62.832 -43.284 1.00 45.22 N ATOM 1321 CZ ARG A 90 21.049 64.002 -42.902 1.00 45.51 C ATOM 1322 NH1 ARG A 90 21.611 64.137 -41.704 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 20.995 65.034 -43.732 1.00 21.12 N ATOM 0 H ARG A 90 19.777 57.914 -46.227 1.00 34.23 H new ATOM 0 HA ARG A 90 18.039 59.887 -44.916 1.00 61.53 H new ATOM 0 HB2 ARG A 90 20.835 59.338 -44.293 1.00 1.00 H new ATOM 0 HB3 ARG A 90 20.629 60.975 -44.883 1.00 1.00 H new ATOM 0 HG2 ARG A 90 18.584 60.954 -43.146 1.00 75.44 H new ATOM 0 HG3 ARG A 90 19.553 59.702 -42.393 1.00 75.44 H new ATOM 0 HD2 ARG A 90 20.146 61.886 -41.454 1.00 14.21 H new ATOM 0 HD3 ARG A 90 21.510 61.229 -42.336 1.00 14.21 H new ATOM 0 HE ARG A 90 20.156 62.769 -44.225 1.00 45.22 H new ATOM 0 HH11 ARG A 90 21.657 63.340 -41.069 1.00 34.45 H new ATOM 0 HH12 ARG A 90 21.996 65.038 -41.420 1.00 34.45 H new ATOM 0 HH21 ARG A 90 20.569 64.926 -44.652 1.00 21.12 H new ATOM 0 HH22 ARG A 90 21.380 65.936 -43.450 1.00 21.12 H new ATOM 1337 N ASP A 91 18.236 61.334 -46.927 1.00 14.33 N ATOM 1338 CA ASP A 91 18.291 62.182 -48.118 1.00 71.02 C ATOM 1339 C ASP A 91 18.155 61.355 -49.397 1.00 43.52 C ATOM 1340 O ASP A 91 18.528 61.802 -50.484 1.00 61.51 O ATOM 1341 CB ASP A 91 19.600 62.985 -48.139 1.00 34.34 C ATOM 1342 CG ASP A 91 19.667 64.041 -47.048 1.00 2.00 C ATOM 1343 OD1 ASP A 91 19.829 63.678 -45.861 1.00 21.24 O ATOM 1344 OD2 ASP A 91 19.572 65.242 -47.380 1.00 32.31 O1- ATOM 0 H ASP A 91 17.457 61.543 -46.302 1.00 14.33 H new ATOM 0 HA ASP A 91 17.450 62.874 -48.076 1.00 71.02 H new ATOM 0 HB2 ASP A 91 20.441 62.301 -48.027 1.00 34.34 H new ATOM 0 HB3 ASP A 91 19.708 63.467 -49.111 1.00 34.34 H new ATOM 1349 N GLY A 92 17.614 60.149 -49.262 1.00 75.32 N ATOM 1350 CA GLY A 92 17.433 59.281 -50.407 1.00 62.34 C ATOM 1351 C GLY A 92 18.609 58.350 -50.618 1.00 52.21 C ATOM 1352 O GLY A 92 18.564 57.460 -51.465 1.00 23.30 O ATOM 0 H GLY A 92 17.297 59.757 -48.375 1.00 75.32 H new ATOM 0 HA2 GLY A 92 16.526 58.691 -50.273 1.00 62.34 H new ATOM 0 HA3 GLY A 92 17.289 59.888 -51.301 1.00 62.34 H new ATOM 1356 N GLN A 93 19.665 58.553 -49.843 1.00 55.42 N ATOM 1357 CA GLN A 93 20.856 57.731 -49.948 1.00 43.03 C ATOM 1358 C GLN A 93 20.758 56.540 -49.003 1.00 53.23 C ATOM 1359 O GLN A 93 20.495 56.705 -47.812 1.00 62.41 O ATOM 1360 CB GLN A 93 22.110 58.552 -49.620 1.00 32.14 C ATOM 1361 CG GLN A 93 22.291 59.795 -50.488 1.00 62.32 C ATOM 1362 CD GLN A 93 23.014 59.533 -51.804 1.00 5.43 C ATOM 1363 OE1 GLN A 93 23.698 60.410 -52.327 1.00 25.23 O ATOM 1364 NE2 GLN A 93 22.883 58.332 -52.347 1.00 33.20 N ATOM 0 H GLN A 93 19.718 59.283 -49.133 1.00 55.42 H new ATOM 0 HA GLN A 93 20.933 57.369 -50.973 1.00 43.03 H new ATOM 0 HB2 GLN A 93 22.068 58.856 -48.574 1.00 32.14 H new ATOM 0 HB3 GLN A 93 22.987 57.914 -49.731 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.311 60.222 -50.702 1.00 62.32 H new ATOM 0 HG3 GLN A 93 22.847 60.543 -49.922 1.00 62.32 H new ATOM 0 HE21 GLN A 93 22.308 57.625 -51.889 1.00 33.20 H new ATOM 0 HE22 GLN A 93 23.357 58.114 -53.223 1.00 33.20 H new ATOM 1373 N LEU A 94 20.947 55.344 -49.546 1.00 22.14 N ATOM 1374 CA LEU A 94 20.928 54.128 -48.744 1.00 50.31 C ATOM 1375 C LEU A 94 22.337 53.763 -48.316 1.00 43.43 C ATOM 1376 O LEU A 94 23.149 53.337 -49.134 1.00 52.24 O ATOM 1377 CB LEU A 94 20.314 52.954 -49.522 1.00 41.23 C ATOM 1378 CG LEU A 94 18.785 52.910 -49.586 1.00 41.02 C ATOM 1379 CD1 LEU A 94 18.194 52.789 -48.192 1.00 1.43 C ATOM 1380 CD2 LEU A 94 18.237 54.135 -50.296 1.00 42.11 C ATOM 0 H LEU A 94 21.115 55.190 -50.540 1.00 22.14 H new ATOM 0 HA LEU A 94 20.313 54.321 -47.865 1.00 50.31 H new ATOM 0 HB2 LEU A 94 20.699 52.980 -50.542 1.00 41.23 H new ATOM 0 HB3 LEU A 94 20.665 52.025 -49.073 1.00 41.23 H new ATOM 0 HG LEU A 94 18.495 52.029 -50.159 1.00 41.02 H new ATOM 0 HD11 LEU A 94 17.106 52.759 -48.259 1.00 1.43 H new ATOM 0 HD12 LEU A 94 18.554 51.873 -47.723 1.00 1.43 H new ATOM 0 HD13 LEU A 94 18.497 53.647 -47.593 1.00 1.43 H new ATOM 0 HD21 LEU A 94 17.149 54.080 -50.329 1.00 42.11 H new ATOM 0 HD22 LEU A 94 18.539 55.033 -49.758 1.00 42.11 H new ATOM 0 HD23 LEU A 94 18.629 54.172 -51.312 1.00 42.11 H new ATOM 1392 N GLN A 95 22.637 53.958 -47.047 1.00 22.34 N ATOM 1393 CA GLN A 95 23.922 53.563 -46.512 1.00 52.10 C ATOM 1394 C GLN A 95 23.803 52.236 -45.783 1.00 55.53 C ATOM 1395 O GLN A 95 23.408 52.188 -44.616 1.00 20.22 O ATOM 1396 CB GLN A 95 24.478 54.632 -45.574 1.00 54.30 C ATOM 1397 CG GLN A 95 24.848 55.925 -46.272 1.00 4.25 C ATOM 1398 CD GLN A 95 25.671 56.836 -45.387 1.00 5.40 C ATOM 1399 OE1 GLN A 95 25.136 57.642 -44.628 1.00 14.41 O ATOM 1400 NE2 GLN A 95 26.987 56.719 -45.480 1.00 5.31 N ATOM 0 H GLN A 95 22.008 54.387 -46.369 1.00 22.34 H new ATOM 0 HA GLN A 95 24.615 53.449 -47.346 1.00 52.10 H new ATOM 0 HB2 GLN A 95 23.738 54.845 -44.802 1.00 54.30 H new ATOM 0 HB3 GLN A 95 25.360 54.237 -45.070 1.00 54.30 H new ATOM 0 HG2 GLN A 95 25.408 55.699 -47.179 1.00 4.25 H new ATOM 0 HG3 GLN A 95 23.940 56.443 -46.579 1.00 4.25 H new ATOM 0 HE21 GLN A 95 27.394 56.039 -46.121 1.00 5.31 H new ATOM 0 HE22 GLN A 95 27.593 57.309 -44.910 1.00 5.31 H new ATOM 1409 N LEU A 96 24.114 51.164 -46.486 1.00 75.11 N ATOM 1410 CA LEU A 96 24.095 49.836 -45.903 1.00 53.33 C ATOM 1411 C LEU A 96 25.415 49.575 -45.197 1.00 12.32 C ATOM 1412 O LEU A 96 26.397 49.170 -45.820 1.00 51.50 O ATOM 1413 CB LEU A 96 23.857 48.781 -46.987 1.00 11.23 C ATOM 1414 CG LEU A 96 23.728 47.343 -46.484 1.00 54.15 C ATOM 1415 CD1 LEU A 96 22.496 47.191 -45.606 1.00 12.31 C ATOM 1416 CD2 LEU A 96 23.674 46.376 -47.655 1.00 11.35 C ATOM 0 H LEU A 96 24.385 51.188 -47.469 1.00 75.11 H new ATOM 0 HA LEU A 96 23.281 49.775 -45.180 1.00 53.33 H new ATOM 0 HB2 LEU A 96 22.948 49.041 -47.530 1.00 11.23 H new ATOM 0 HB3 LEU A 96 24.679 48.826 -47.701 1.00 11.23 H new ATOM 0 HG LEU A 96 24.606 47.108 -45.882 1.00 54.15 H new ATOM 0 HD11 LEU A 96 22.422 46.161 -45.258 1.00 12.31 H new ATOM 0 HD12 LEU A 96 22.576 47.859 -44.748 1.00 12.31 H new ATOM 0 HD13 LEU A 96 21.606 47.444 -46.181 1.00 12.31 H new ATOM 0 HD21 LEU A 96 23.582 45.356 -47.281 1.00 11.35 H new ATOM 0 HD22 LEU A 96 22.814 46.611 -48.282 1.00 11.35 H new ATOM 0 HD23 LEU A 96 24.587 46.466 -48.243 1.00 11.35 H new ATOM 1428 N ASN A 97 25.450 49.844 -43.906 1.00 24.34 N ATOM 1429 CA ASN A 97 26.679 49.702 -43.144 1.00 24.31 C ATOM 1430 C ASN A 97 26.601 48.485 -42.231 1.00 43.41 C ATOM 1431 O ASN A 97 25.642 48.308 -41.483 1.00 33.42 O ATOM 1432 CB ASN A 97 26.989 50.984 -42.351 1.00 32.34 C ATOM 1433 CG ASN A 97 25.981 51.291 -41.257 1.00 4.11 C ATOM 1434 OD1 ASN A 97 26.172 50.911 -40.103 1.00 11.22 O ATOM 1435 ND2 ASN A 97 24.906 51.988 -41.608 1.00 2.51 N ATOM 0 H ASN A 97 24.646 50.161 -43.363 1.00 24.34 H new ATOM 0 HA ASN A 97 27.502 49.546 -43.842 1.00 24.31 H new ATOM 0 HB2 ASN A 97 27.979 50.892 -41.904 1.00 32.34 H new ATOM 0 HB3 ASN A 97 27.028 51.826 -43.042 1.00 32.34 H new ATOM 0 HD21 ASN A 97 24.202 52.226 -40.909 1.00 2.51 H new ATOM 0 HD22 ASN A 97 24.784 52.285 -42.576 1.00 2.51 H new ATOM 1442 N VAL A 98 27.600 47.629 -42.334 1.00 45.14 N ATOM 1443 CA VAL A 98 27.654 46.419 -41.534 1.00 72.02 C ATOM 1444 C VAL A 98 28.880 46.427 -40.642 1.00 15.31 C ATOM 1445 O VAL A 98 29.989 46.723 -41.089 1.00 42.35 O ATOM 1446 CB VAL A 98 27.677 45.146 -42.412 1.00 44.14 C ATOM 1447 CG1 VAL A 98 27.859 43.896 -41.560 1.00 50.42 C ATOM 1448 CG2 VAL A 98 26.405 45.036 -43.226 1.00 24.02 C ATOM 0 H VAL A 98 28.390 47.750 -42.968 1.00 45.14 H new ATOM 0 HA VAL A 98 26.751 46.401 -40.924 1.00 72.02 H new ATOM 0 HB VAL A 98 28.525 45.227 -43.092 1.00 44.14 H new ATOM 0 HG11 VAL A 98 27.872 43.016 -42.203 1.00 50.42 H new ATOM 0 HG12 VAL A 98 28.801 43.961 -41.015 1.00 50.42 H new ATOM 0 HG13 VAL A 98 27.035 43.816 -40.851 1.00 50.42 H new ATOM 0 HG21 VAL A 98 26.441 44.134 -43.837 1.00 24.02 H new ATOM 0 HG22 VAL A 98 25.547 44.986 -42.555 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.310 45.908 -43.872 1.00 24.02 H new ATOM 1458 N THR A 99 28.661 46.127 -39.379 1.00 13.53 N ATOM 1459 CA THR A 99 29.739 45.946 -38.439 1.00 63.52 C ATOM 1460 C THR A 99 29.913 44.456 -38.165 1.00 34.14 C ATOM 1461 O THR A 99 29.023 43.813 -37.602 1.00 52.04 O ATOM 1462 CB THR A 99 29.444 46.695 -37.133 1.00 15.12 C ATOM 1463 OG1 THR A 99 29.027 48.032 -37.439 1.00 32.14 O ATOM 1464 CG2 THR A 99 30.668 46.737 -36.228 1.00 64.32 C ATOM 0 H THR A 99 27.731 46.003 -38.979 1.00 13.53 H new ATOM 0 HA THR A 99 30.659 46.351 -38.861 1.00 63.52 H new ATOM 0 HB THR A 99 28.652 46.165 -36.604 1.00 15.12 H new ATOM 0 HG1 THR A 99 28.836 48.514 -36.607 1.00 32.14 H new ATOM 0 HG21 THR A 99 30.425 47.275 -35.312 1.00 64.32 H new ATOM 0 HG22 THR A 99 30.974 45.720 -35.982 1.00 64.32 H new ATOM 0 HG23 THR A 99 31.483 47.246 -36.742 1.00 64.32 H new ATOM 1472 N ASP A 100 31.039 43.908 -38.605 1.00 61.11 N ATOM 1473 CA ASP A 100 31.280 42.473 -38.500 1.00 23.41 C ATOM 1474 C ASP A 100 31.406 42.020 -37.048 1.00 63.40 C ATOM 1475 O ASP A 100 31.798 42.791 -36.167 1.00 62.23 O ATOM 1476 CB ASP A 100 32.528 42.067 -39.285 1.00 14.41 C ATOM 1477 CG ASP A 100 32.780 40.570 -39.225 1.00 53.52 C ATOM 1478 OD1 ASP A 100 33.853 40.166 -38.742 1.00 4.12 O ATOM 1479 OD2 ASP A 100 31.892 39.792 -39.623 1.00 11.31 O1- ATOM 0 H ASP A 100 31.799 44.434 -39.037 1.00 61.11 H new ATOM 0 HA ASP A 100 30.413 41.975 -38.933 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.417 42.374 -40.325 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.394 42.596 -38.887 1.00 14.41 H new ATOM 1484 N ARG A 101 31.085 40.756 -36.824 1.00 1.22 N ATOM 1485 CA ARG A 101 31.050 40.174 -35.490 1.00 70.42 C ATOM 1486 C ARG A 101 32.439 39.737 -35.024 1.00 41.44 C ATOM 1487 O ARG A 101 32.736 39.759 -33.832 1.00 3.54 O ATOM 1488 CB ARG A 101 30.106 38.967 -35.488 1.00 70.04 C ATOM 1489 CG ARG A 101 30.464 37.920 -36.535 1.00 12.41 C ATOM 1490 CD ARG A 101 29.605 36.678 -36.404 1.00 13.24 C ATOM 1491 NE ARG A 101 29.852 35.720 -37.482 1.00 14.53 N ATOM 1492 CZ ARG A 101 29.309 34.505 -37.524 1.00 32.32 C ATOM 1493 NH1 ARG A 101 28.539 34.085 -36.531 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 29.542 33.709 -38.559 1.00 52.25 N ATOM 0 H ARG A 101 30.840 40.100 -37.566 1.00 1.22 H new ATOM 0 HA ARG A 101 30.692 40.937 -34.799 1.00 70.42 H new ATOM 0 HB2 ARG A 101 30.122 38.504 -34.501 1.00 70.04 H new ATOM 0 HB3 ARG A 101 29.087 39.311 -35.662 1.00 70.04 H new ATOM 0 HG2 ARG A 101 30.340 38.345 -37.531 1.00 12.41 H new ATOM 0 HG3 ARG A 101 31.515 37.648 -36.433 1.00 12.41 H new ATOM 0 HD2 ARG A 101 29.802 36.201 -35.444 1.00 13.24 H new ATOM 0 HD3 ARG A 101 28.553 36.964 -36.408 1.00 13.24 H new ATOM 0 HE ARG A 101 30.473 35.998 -38.242 1.00 14.53 H new ATOM 0 HH11 ARG A 101 28.361 34.693 -35.732 1.00 20.33 H new ATOM 0 HH12 ARG A 101 28.124 33.154 -36.566 1.00 20.33 H new ATOM 0 HH21 ARG A 101 30.138 34.027 -39.323 1.00 52.25 H new ATOM 0 HH22 ARG A 101 29.126 32.778 -38.591 1.00 52.25 H new ATOM 1508 N LYS A 102 33.286 39.348 -35.969 1.00 25.22 N ATOM 1509 CA LYS A 102 34.580 38.760 -35.642 1.00 51.24 C ATOM 1510 C LYS A 102 35.717 39.744 -35.885 1.00 24.03 C ATOM 1511 O LYS A 102 36.424 40.144 -34.959 1.00 61.52 O ATOM 1512 CB LYS A 102 34.800 37.504 -36.482 1.00 63.24 C ATOM 1513 CG LYS A 102 33.862 36.363 -36.132 1.00 64.00 C ATOM 1514 CD LYS A 102 33.837 35.313 -37.230 1.00 42.35 C ATOM 1515 CE LYS A 102 33.133 34.045 -36.777 1.00 32.33 C ATOM 1516 NZ LYS A 102 33.945 33.283 -35.796 1.00 73.14 N1+ ATOM 0 H LYS A 102 33.100 39.429 -36.969 1.00 25.22 H new ATOM 0 HA LYS A 102 34.576 38.503 -34.583 1.00 51.24 H new ATOM 0 HB2 LYS A 102 34.675 37.756 -37.535 1.00 63.24 H new ATOM 0 HB3 LYS A 102 35.829 37.168 -36.355 1.00 63.24 H new ATOM 0 HG2 LYS A 102 34.177 35.905 -35.195 1.00 64.00 H new ATOM 0 HG3 LYS A 102 32.856 36.752 -35.974 1.00 64.00 H new ATOM 0 HD2 LYS A 102 33.332 35.716 -38.108 1.00 42.35 H new ATOM 0 HD3 LYS A 102 34.858 35.076 -37.530 1.00 42.35 H new ATOM 0 HE2 LYS A 102 32.172 34.302 -36.331 1.00 32.33 H new ATOM 0 HE3 LYS A 102 32.925 33.416 -37.643 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 33.543 32.331 -35.678 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 34.923 33.206 -36.141 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 33.938 33.778 -34.881 1.00 73.14 H new ATOM 1530 N THR A 103 35.878 40.136 -37.134 1.00 32.11 N ATOM 1531 CA THR A 103 36.950 41.030 -37.526 1.00 65.25 C ATOM 1532 C THR A 103 36.591 42.462 -37.159 1.00 51.12 C ATOM 1533 O THR A 103 37.457 43.332 -37.047 1.00 72.12 O ATOM 1534 CB THR A 103 37.232 40.917 -39.036 1.00 3.51 C ATOM 1535 OG1 THR A 103 36.029 41.139 -39.788 1.00 71.14 O ATOM 1536 CG2 THR A 103 37.788 39.542 -39.372 1.00 15.44 C ATOM 0 H THR A 103 35.273 39.846 -37.902 1.00 32.11 H new ATOM 0 HA THR A 103 37.855 40.743 -36.991 1.00 65.25 H new ATOM 0 HB THR A 103 37.968 41.676 -39.301 1.00 3.51 H new ATOM 0 HG1 THR A 103 35.362 40.463 -39.545 1.00 71.14 H new ATOM 0 HG21 THR A 103 37.982 39.480 -40.443 1.00 15.44 H new ATOM 0 HG22 THR A 103 38.717 39.382 -38.825 1.00 15.44 H new ATOM 0 HG23 THR A 103 37.064 38.778 -39.089 1.00 15.44 H new ATOM 1544 N GLY A 104 35.298 42.691 -36.960 1.00 65.24 N ATOM 1545 CA GLY A 104 34.822 43.998 -36.563 1.00 42.41 C ATOM 1546 C GLY A 104 34.944 45.016 -37.671 1.00 24.42 C ATOM 1547 O GLY A 104 35.065 46.211 -37.409 1.00 13.23 O ATOM 0 H GLY A 104 34.568 41.987 -37.068 1.00 65.24 H new ATOM 0 HA2 GLY A 104 33.779 43.924 -36.255 1.00 42.41 H new ATOM 0 HA3 GLY A 104 35.387 44.339 -35.696 1.00 42.41 H new ATOM 1551 N GLN A 105 34.929 44.541 -38.907 1.00 51.35 N ATOM 1552 CA GLN A 105 34.995 45.418 -40.063 1.00 72.04 C ATOM 1553 C GLN A 105 33.731 46.256 -40.152 1.00 12.40 C ATOM 1554 O GLN A 105 32.624 45.720 -40.144 1.00 64.30 O ATOM 1555 CB GLN A 105 35.162 44.602 -41.346 1.00 71.44 C ATOM 1556 CG GLN A 105 36.400 43.720 -41.359 1.00 11.23 C ATOM 1557 CD GLN A 105 37.691 44.509 -41.283 1.00 44.43 C ATOM 1558 OE1 GLN A 105 38.255 44.887 -42.308 1.00 42.45 O ATOM 1559 NE2 GLN A 105 38.178 44.743 -40.074 1.00 23.32 N ATOM 0 H GLN A 105 34.871 43.548 -39.134 1.00 51.35 H new ATOM 0 HA GLN A 105 35.857 46.075 -39.949 1.00 72.04 H new ATOM 0 HB2 GLN A 105 34.281 43.976 -41.484 1.00 71.44 H new ATOM 0 HB3 GLN A 105 35.205 45.284 -42.195 1.00 71.44 H new ATOM 0 HG2 GLN A 105 36.354 43.027 -40.519 1.00 11.23 H new ATOM 0 HG3 GLN A 105 36.401 43.119 -42.268 1.00 11.23 H new ATOM 0 HE21 GLN A 105 37.677 44.411 -39.250 1.00 23.32 H new ATOM 0 HE22 GLN A 105 39.054 45.255 -39.967 1.00 23.32 H new ATOM 1568 N THR A 106 33.897 47.564 -40.214 1.00 25.35 N ATOM 1569 CA THR A 106 32.772 48.457 -40.393 1.00 43.25 C ATOM 1570 C THR A 106 32.727 48.915 -41.844 1.00 44.11 C ATOM 1571 O THR A 106 33.387 49.884 -42.223 1.00 33.22 O ATOM 1572 CB THR A 106 32.861 49.680 -39.457 1.00 61.32 C ATOM 1573 OG1 THR A 106 33.074 49.246 -38.104 1.00 1.35 O ATOM 1574 CG2 THR A 106 31.585 50.510 -39.529 1.00 5.13 C ATOM 0 H THR A 106 34.801 48.030 -40.143 1.00 25.35 H new ATOM 0 HA THR A 106 31.860 47.917 -40.141 1.00 43.25 H new ATOM 0 HB THR A 106 33.699 50.298 -39.780 1.00 61.32 H new ATOM 0 HG1 THR A 106 33.131 50.027 -37.515 1.00 1.35 H new ATOM 0 HG21 THR A 106 31.670 51.367 -38.861 1.00 5.13 H new ATOM 0 HG22 THR A 106 31.436 50.860 -40.551 1.00 5.13 H new ATOM 0 HG23 THR A 106 30.735 49.898 -39.227 1.00 5.13 H new ATOM 1582 N SER A 107 31.981 48.191 -42.662 1.00 30.10 N ATOM 1583 CA SER A 107 31.912 48.482 -44.082 1.00 71.15 C ATOM 1584 C SER A 107 30.639 49.254 -44.397 1.00 42.21 C ATOM 1585 O SER A 107 29.534 48.796 -44.103 1.00 53.14 O ATOM 1586 CB SER A 107 31.970 47.182 -44.891 1.00 62.32 C ATOM 1587 OG SER A 107 32.099 47.438 -46.281 1.00 35.01 O ATOM 0 H SER A 107 31.414 47.397 -42.365 1.00 30.10 H new ATOM 0 HA SER A 107 32.767 49.099 -44.359 1.00 71.15 H new ATOM 0 HB2 SER A 107 32.812 46.579 -44.552 1.00 62.32 H new ATOM 0 HB3 SER A 107 31.067 46.599 -44.710 1.00 62.32 H new ATOM 0 HG SER A 107 32.135 46.588 -46.768 1.00 35.01 H new ATOM 1593 N THR A 108 30.800 50.435 -44.969 1.00 61.34 N ATOM 1594 CA THR A 108 29.670 51.264 -45.335 1.00 45.01 C ATOM 1595 C THR A 108 29.419 51.189 -46.836 1.00 51.14 C ATOM 1596 O THR A 108 30.132 51.804 -47.631 1.00 24.12 O ATOM 1597 CB THR A 108 29.901 52.731 -44.917 1.00 51.54 C ATOM 1598 OG1 THR A 108 30.270 52.792 -43.533 1.00 42.23 O ATOM 1599 CG2 THR A 108 28.648 53.562 -45.146 1.00 12.31 C ATOM 0 H THR A 108 31.709 50.841 -45.190 1.00 61.34 H new ATOM 0 HA THR A 108 28.794 50.887 -44.807 1.00 45.01 H new ATOM 0 HB THR A 108 30.706 53.138 -45.529 1.00 51.54 H new ATOM 0 HG1 THR A 108 30.417 53.726 -43.274 1.00 42.23 H new ATOM 0 HG21 THR A 108 28.835 54.593 -44.844 1.00 12.31 H new ATOM 0 HG22 THR A 108 28.382 53.536 -46.203 1.00 12.31 H new ATOM 0 HG23 THR A 108 27.828 53.154 -44.555 1.00 12.31 H new ATOM 1607 N ILE A 109 28.417 50.418 -47.220 1.00 13.34 N ATOM 1608 CA ILE A 109 28.048 50.299 -48.615 1.00 55.11 C ATOM 1609 C ILE A 109 26.959 51.310 -48.939 1.00 14.15 C ATOM 1610 O ILE A 109 25.773 51.053 -48.734 1.00 1.14 O ATOM 1611 CB ILE A 109 27.559 48.875 -48.963 1.00 61.20 C ATOM 1612 CG1 ILE A 109 28.596 47.833 -48.527 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.296 48.763 -50.460 1.00 4.42 C ATOM 1614 CD1 ILE A 109 28.154 46.402 -48.759 1.00 12.41 C ATOM 0 H ILE A 109 27.845 49.865 -46.582 1.00 13.34 H new ATOM 0 HA ILE A 109 28.936 50.498 -49.215 1.00 55.11 H new ATOM 0 HB ILE A 109 26.629 48.684 -48.427 1.00 61.20 H new ATOM 0 HG12 ILE A 109 29.526 48.009 -49.068 1.00 73.01 H new ATOM 0 HG13 ILE A 109 28.813 47.970 -47.468 1.00 73.01 H new ATOM 0 HG21 ILE A 109 26.952 47.756 -50.695 1.00 4.42 H new ATOM 0 HG22 ILE A 109 26.532 49.484 -50.750 1.00 4.42 H new ATOM 0 HG23 ILE A 109 28.216 48.969 -51.007 1.00 4.42 H new ATOM 0 HD11 ILE A 109 28.938 45.721 -48.427 1.00 12.41 H new ATOM 0 HD12 ILE A 109 27.241 46.207 -48.196 1.00 12.41 H new ATOM 0 HD13 ILE A 109 27.965 46.247 -49.821 1.00 12.41 H new ATOM 1626 N GLN A 110 27.367 52.481 -49.394 1.00 42.43 N ATOM 1627 CA GLN A 110 26.420 53.535 -49.708 1.00 3.53 C ATOM 1628 C GLN A 110 25.966 53.423 -51.160 1.00 10.22 C ATOM 1629 O GLN A 110 26.785 53.255 -52.067 1.00 61.10 O ATOM 1630 CB GLN A 110 27.037 54.916 -49.436 1.00 51.25 C ATOM 1631 CG GLN A 110 28.144 55.313 -50.405 1.00 2.41 C ATOM 1632 CD GLN A 110 28.827 56.608 -50.016 1.00 4.14 C ATOM 1633 OE1 GLN A 110 28.390 57.691 -50.391 1.00 23.33 O ATOM 1634 NE2 GLN A 110 29.925 56.497 -49.284 1.00 32.10 N ATOM 0 H GLN A 110 28.344 52.725 -49.554 1.00 42.43 H new ATOM 0 HA GLN A 110 25.548 53.421 -49.064 1.00 3.53 H new ATOM 0 HB2 GLN A 110 26.248 55.667 -49.477 1.00 51.25 H new ATOM 0 HB3 GLN A 110 27.437 54.929 -48.422 1.00 51.25 H new ATOM 0 HG2 GLN A 110 28.886 54.515 -50.449 1.00 2.41 H new ATOM 0 HG3 GLN A 110 27.725 55.415 -51.406 1.00 2.41 H new ATOM 0 HE21 GLN A 110 30.253 55.576 -48.994 1.00 32.10 H new ATOM 0 HE22 GLN A 110 30.442 57.332 -49.011 1.00 32.10 H new ATOM 1643 N VAL A 111 24.658 53.476 -51.378 1.00 22.34 N ATOM 1644 CA VAL A 111 24.119 53.477 -52.729 1.00 74.24 C ATOM 1645 C VAL A 111 24.265 54.864 -53.340 1.00 21.00 C ATOM 1646 O VAL A 111 23.340 55.680 -53.308 1.00 75.11 O ATOM 1647 CB VAL A 111 22.639 53.034 -52.763 1.00 73.33 C ATOM 1648 CG1 VAL A 111 22.123 52.963 -54.187 1.00 13.23 C ATOM 1649 CG2 VAL A 111 22.469 51.693 -52.073 1.00 44.35 C ATOM 0 H VAL A 111 23.955 53.519 -50.640 1.00 22.34 H new ATOM 0 HA VAL A 111 24.688 52.755 -53.314 1.00 74.24 H new ATOM 0 HB VAL A 111 22.053 53.780 -52.227 1.00 73.33 H new ATOM 0 HG11 VAL A 111 21.079 52.649 -54.181 1.00 13.23 H new ATOM 0 HG12 VAL A 111 22.203 53.945 -54.653 1.00 13.23 H new ATOM 0 HG13 VAL A 111 22.715 52.244 -54.753 1.00 13.23 H new ATOM 0 HG21 VAL A 111 21.421 51.397 -52.107 1.00 44.35 H new ATOM 0 HG22 VAL A 111 23.074 50.943 -52.582 1.00 44.35 H new ATOM 0 HG23 VAL A 111 22.790 51.775 -51.034 1.00 44.35 H new