USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 839 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 40 LYS NZ :NH3+ -177:sc= 0.845 (180deg=0) USER MOD Set 1.2: A 94 HIS : no HE2:sc= 0.506 K(o=1.4,f=-7.6!) USER MOD Set 2.1: A 10 HIS : no HD1:sc= -0.59 K(o=0.15,f=-0.7) USER MOD Set 2.2: A 11 SER OG : rot 22:sc= 0.744 USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0223 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.334 K(o=-0.33,f=-1.2!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 160:sc= -2.65 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0474 USER MOD Single : A 26 ASN : amide:sc= -0.163 K(o=-0.16,f=-3.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.37 K(o=0.37,f=-8.1!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HE2:sc= -1.63 K(o=-1.6,f=-5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 102:sc= 1.19 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 72 SER OG : rot 154:sc= 0.0684 USER MOD Single : A 74 HIS :FLIP no HD1:sc= -0.599 F(o=-2.2,f=-0.6) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -154:sc= -0.18 (180deg=-0.99) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -78:sc= 0.302 USER MOD Single : A 93 GLN : amide:sc= -0.557 K(o=-0.56,f=-7.1!) USER MOD Single : A 95 SER OG : rot -34:sc= 0.923 USER MOD Single : A 96 SER OG : rot 100:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.455) USER MOD Single : A 104 HIS : no HD1:sc=-0.00403 X(o=-0.004,f=-0.28) USER MOD Single : A 106 ASN : amide:sc= -1.33 X(o=-1.3,f=-0.95) USER MOD Single : A 108 SER OG : rot -55:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -29.930 18.233 -20.838 1.00 0.00 N ATOM 2 CA GLU A 1 -28.739 18.051 -19.963 1.00 0.00 C ATOM 3 C GLU A 1 -29.127 18.360 -18.521 1.00 0.00 C ATOM 4 O GLU A 1 -29.000 19.494 -18.059 1.00 0.00 O ATOM 5 CB GLU A 1 -27.593 18.976 -20.381 1.00 0.00 C ATOM 6 CG GLU A 1 -26.826 18.344 -21.544 1.00 0.00 C ATOM 7 CD GLU A 1 -25.823 17.331 -21.003 1.00 0.00 C ATOM 8 OE1 GLU A 1 -25.255 17.592 -19.955 1.00 0.00 O ATOM 9 OE2 GLU A 1 -25.638 16.309 -21.643 1.00 0.00 O ATOM 0 H1 GLU A 1 -29.672 18.024 -21.824 1.00 0.00 H new ATOM 0 H2 GLU A 1 -30.686 17.587 -20.534 1.00 0.00 H new ATOM 0 H3 GLU A 1 -30.265 19.215 -20.769 1.00 0.00 H new ATOM 0 HA GLU A 1 -28.400 17.019 -20.057 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -27.986 19.949 -20.676 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -26.922 19.146 -19.539 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -27.520 17.855 -22.228 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -26.308 19.116 -22.114 1.00 0.00 H new ATOM 18 N THR A 2 -29.603 17.337 -17.817 1.00 0.00 N ATOM 19 CA THR A 2 -30.010 17.509 -16.423 1.00 0.00 C ATOM 20 C THR A 2 -28.787 17.525 -15.500 1.00 0.00 C ATOM 21 O THR A 2 -28.638 18.432 -14.680 1.00 0.00 O ATOM 22 CB THR A 2 -30.955 16.378 -15.988 1.00 0.00 C ATOM 23 OG1 THR A 2 -31.545 15.783 -17.136 1.00 0.00 O ATOM 24 CG2 THR A 2 -32.054 16.943 -15.086 1.00 0.00 C ATOM 0 H THR A 2 -29.716 16.391 -18.181 1.00 0.00 H new ATOM 0 HA THR A 2 -30.532 18.463 -16.346 1.00 0.00 H new ATOM 0 HB THR A 2 -30.387 15.626 -15.439 1.00 0.00 H new ATOM 0 HG1 THR A 2 -32.146 15.061 -16.858 1.00 0.00 H new ATOM 0 HG21 THR A 2 -32.722 16.138 -14.779 1.00 0.00 H new ATOM 0 HG22 THR A 2 -31.603 17.396 -14.203 1.00 0.00 H new ATOM 0 HG23 THR A 2 -32.621 17.697 -15.632 1.00 0.00 H new ATOM 32 N PRO A 3 -27.896 16.527 -15.615 1.00 0.00 N ATOM 33 CA PRO A 3 -26.695 16.457 -14.773 1.00 0.00 C ATOM 34 C PRO A 3 -25.605 17.422 -15.233 1.00 0.00 C ATOM 35 O PRO A 3 -25.570 17.833 -16.393 1.00 0.00 O ATOM 36 CB PRO A 3 -26.225 15.013 -14.925 1.00 0.00 C ATOM 37 CG PRO A 3 -26.754 14.558 -16.244 1.00 0.00 C ATOM 38 CD PRO A 3 -27.966 15.393 -16.556 1.00 0.00 C ATOM 0 HA PRO A 3 -26.911 16.739 -13.742 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -25.137 14.949 -14.895 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -26.603 14.390 -14.114 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -25.998 14.673 -17.021 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -27.016 13.500 -16.208 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -27.954 15.736 -17.590 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -28.885 14.823 -16.420 1.00 0.00 H new ATOM 46 N ARG A 4 -24.715 17.775 -14.310 1.00 0.00 N ATOM 47 CA ARG A 4 -23.625 18.692 -14.630 1.00 0.00 C ATOM 48 C ARG A 4 -22.407 17.916 -15.125 1.00 0.00 C ATOM 49 O ARG A 4 -22.191 16.765 -14.747 1.00 0.00 O ATOM 50 CB ARG A 4 -23.229 19.506 -13.396 1.00 0.00 C ATOM 51 CG ARG A 4 -24.053 20.795 -13.349 1.00 0.00 C ATOM 52 CD ARG A 4 -23.388 21.860 -14.223 1.00 0.00 C ATOM 53 NE ARG A 4 -24.361 22.865 -14.641 1.00 0.00 N ATOM 54 CZ ARG A 4 -24.004 23.882 -15.419 1.00 0.00 C ATOM 55 NH1 ARG A 4 -23.753 23.681 -16.683 1.00 0.00 N ATOM 56 NH2 ARG A 4 -23.905 25.083 -14.917 1.00 0.00 N ATOM 0 H ARG A 4 -24.726 17.445 -13.345 1.00 0.00 H new ATOM 0 HA ARG A 4 -23.971 19.367 -15.413 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -23.397 18.921 -12.492 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -22.166 19.743 -13.429 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -25.067 20.603 -13.700 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -24.133 21.151 -12.322 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -22.579 22.338 -13.671 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -22.942 21.391 -15.100 1.00 0.00 H new ATOM 0 HE ARG A 4 -25.330 22.786 -14.331 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -23.831 22.743 -17.075 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -23.479 24.462 -17.279 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -24.101 25.240 -13.929 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -23.631 25.864 -15.513 1.00 0.00 H new ATOM 70 N GLU A 5 -21.617 18.561 -15.978 1.00 0.00 N ATOM 71 CA GLU A 5 -20.421 17.925 -16.525 1.00 0.00 C ATOM 72 C GLU A 5 -19.350 17.786 -15.447 1.00 0.00 C ATOM 73 O GLU A 5 -18.864 16.691 -15.169 1.00 0.00 O ATOM 74 CB GLU A 5 -19.857 18.749 -17.684 1.00 0.00 C ATOM 75 CG GLU A 5 -20.856 18.750 -18.842 1.00 0.00 C ATOM 76 CD GLU A 5 -20.471 19.833 -19.845 1.00 0.00 C ATOM 77 OE1 GLU A 5 -19.552 19.601 -20.613 1.00 0.00 O ATOM 78 OE2 GLU A 5 -21.100 20.878 -19.830 1.00 0.00 O ATOM 0 H GLU A 5 -21.780 19.514 -16.303 1.00 0.00 H new ATOM 0 HA GLU A 5 -20.703 16.936 -16.887 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -19.662 19.770 -17.357 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -18.905 18.332 -18.011 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -20.865 17.775 -19.329 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -21.864 18.928 -18.467 1.00 0.00 H new ATOM 85 N LYS A 6 -18.987 18.915 -14.843 1.00 0.00 N ATOM 86 CA LYS A 6 -17.970 18.918 -13.794 1.00 0.00 C ATOM 87 C LYS A 6 -18.407 18.047 -12.618 1.00 0.00 C ATOM 88 O LYS A 6 -19.028 18.523 -11.669 1.00 0.00 O ATOM 89 CB LYS A 6 -17.716 20.344 -13.296 1.00 0.00 C ATOM 90 CG LYS A 6 -19.039 20.986 -12.859 1.00 0.00 C ATOM 91 CD LYS A 6 -19.077 22.448 -13.313 1.00 0.00 C ATOM 92 CE LYS A 6 -18.124 23.276 -12.451 1.00 0.00 C ATOM 93 NZ LYS A 6 -18.572 24.693 -12.350 1.00 0.00 N ATOM 0 H LYS A 6 -19.378 19.832 -15.059 1.00 0.00 H new ATOM 0 HA LYS A 6 -17.051 18.514 -14.219 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -17.016 20.328 -12.461 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -17.256 20.938 -14.086 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -19.879 20.440 -13.288 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -19.142 20.929 -11.775 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -18.791 22.521 -14.362 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -20.091 22.839 -13.231 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -18.062 22.841 -11.454 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -17.121 23.240 -12.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -17.904 25.227 -11.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -18.607 25.115 -13.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -19.519 24.728 -11.921 1.00 0.00 H new ATOM 107 N LEU A 7 -18.072 16.762 -12.695 1.00 0.00 N ATOM 108 CA LEU A 7 -18.434 15.825 -11.633 1.00 0.00 C ATOM 109 C LEU A 7 -17.188 15.361 -10.882 1.00 0.00 C ATOM 110 O LEU A 7 -17.229 15.117 -9.676 1.00 0.00 O ATOM 111 CB LEU A 7 -19.149 14.605 -12.215 1.00 0.00 C ATOM 112 CG LEU A 7 -20.180 13.946 -11.295 1.00 0.00 C ATOM 113 CD1 LEU A 7 -21.466 14.774 -11.295 1.00 0.00 C ATOM 114 CD2 LEU A 7 -20.484 12.535 -11.800 1.00 0.00 C ATOM 0 H LEU A 7 -17.556 16.348 -13.472 1.00 0.00 H new ATOM 0 HA LEU A 7 -19.102 16.341 -10.943 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -19.648 14.903 -13.137 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -18.400 13.861 -12.485 1.00 0.00 H new ATOM 0 HG LEU A 7 -19.782 13.893 -10.282 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -22.201 14.305 -10.640 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -21.251 15.781 -10.937 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -21.865 14.827 -12.308 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -21.218 12.065 -11.146 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -20.883 12.589 -12.813 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -19.568 11.944 -11.802 1.00 0.00 H new ATOM 126 N LYS A 8 -16.082 15.240 -11.611 1.00 0.00 N ATOM 127 CA LYS A 8 -14.823 14.801 -11.008 1.00 0.00 C ATOM 128 C LYS A 8 -14.969 13.400 -10.422 1.00 0.00 C ATOM 129 O LYS A 8 -15.540 13.217 -9.347 1.00 0.00 O ATOM 130 CB LYS A 8 -14.392 15.764 -9.898 1.00 0.00 C ATOM 131 CG LYS A 8 -13.554 16.894 -10.500 1.00 0.00 C ATOM 132 CD LYS A 8 -12.168 16.361 -10.871 1.00 0.00 C ATOM 133 CE LYS A 8 -11.201 16.598 -9.709 1.00 0.00 C ATOM 134 NZ LYS A 8 -9.783 16.447 -10.142 1.00 0.00 N ATOM 0 H LYS A 8 -16.029 15.437 -12.610 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.065 14.789 -11.791 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.269 16.174 -9.397 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.814 15.231 -9.143 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.049 17.297 -11.384 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.461 17.712 -9.786 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.225 15.297 -11.099 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.803 16.860 -11.769 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.355 17.598 -9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.415 15.893 -8.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.153 16.614 -9.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.632 15.485 -10.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.573 17.137 -10.891 1.00 0.00 H new ATOM 148 N GLN A 9 -14.446 12.413 -11.144 1.00 0.00 N ATOM 149 CA GLN A 9 -14.520 11.027 -10.691 1.00 0.00 C ATOM 150 C GLN A 9 -13.154 10.357 -10.803 1.00 0.00 C ATOM 151 O GLN A 9 -12.796 9.815 -11.849 1.00 0.00 O ATOM 152 CB GLN A 9 -15.531 10.242 -11.530 1.00 0.00 C ATOM 153 CG GLN A 9 -16.951 10.636 -11.118 1.00 0.00 C ATOM 154 CD GLN A 9 -17.915 9.512 -11.479 1.00 0.00 C ATOM 155 OE1 GLN A 9 -17.944 8.473 -10.818 1.00 0.00 O ATOM 156 NE2 GLN A 9 -18.716 9.659 -12.498 1.00 0.00 N ATOM 0 H GLN A 9 -13.971 12.545 -12.037 1.00 0.00 H new ATOM 0 HA GLN A 9 -14.839 11.030 -9.649 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -15.378 10.448 -12.589 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -15.384 9.171 -11.389 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -16.989 10.832 -10.046 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -17.245 11.557 -11.621 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.692 10.519 -13.045 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -19.366 8.914 -12.747 1.00 0.00 H new ATOM 165 N HIS A 10 -12.395 10.402 -9.712 1.00 0.00 N ATOM 166 CA HIS A 10 -11.066 9.797 -9.695 1.00 0.00 C ATOM 167 C HIS A 10 -11.151 8.330 -9.288 1.00 0.00 C ATOM 168 O HIS A 10 -10.709 7.442 -10.018 1.00 0.00 O ATOM 169 CB HIS A 10 -10.156 10.534 -8.711 1.00 0.00 C ATOM 170 CG HIS A 10 -8.719 10.197 -9.006 1.00 0.00 C ATOM 171 ND1 HIS A 10 -8.231 8.903 -8.918 1.00 0.00 N ATOM 172 CD2 HIS A 10 -7.655 10.975 -9.390 1.00 0.00 C ATOM 173 CE1 HIS A 10 -6.925 8.940 -9.242 1.00 0.00 C ATOM 174 NE2 HIS A 10 -6.523 10.179 -9.538 1.00 0.00 N ATOM 0 H HIS A 10 -12.673 10.846 -8.837 1.00 0.00 H new ATOM 0 HA HIS A 10 -10.651 9.871 -10.700 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -10.312 11.610 -8.791 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -10.404 10.251 -7.688 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.691 12.042 -9.552 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.281 8.073 -9.260 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -5.587 10.478 -9.813 1.00 0.00 H new ATOM 182 N SER A 11 -11.725 8.085 -8.114 1.00 0.00 N ATOM 183 CA SER A 11 -11.862 6.720 -7.615 1.00 0.00 C ATOM 184 C SER A 11 -13.001 6.636 -6.598 1.00 0.00 C ATOM 185 O SER A 11 -12.880 5.985 -5.561 1.00 0.00 O ATOM 186 CB SER A 11 -10.560 6.264 -6.953 1.00 0.00 C ATOM 187 OG SER A 11 -9.634 5.876 -7.959 1.00 0.00 O ATOM 0 H SER A 11 -12.099 8.805 -7.496 1.00 0.00 H new ATOM 0 HA SER A 11 -12.086 6.069 -8.460 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.143 7.071 -6.350 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.754 5.429 -6.279 1.00 0.00 H new ATOM 0 HG SER A 11 -9.879 6.298 -8.809 1.00 0.00 H new ATOM 193 N ASP A 12 -14.109 7.309 -6.911 1.00 0.00 N ATOM 194 CA ASP A 12 -15.275 7.318 -6.025 1.00 0.00 C ATOM 195 C ASP A 12 -15.833 5.905 -5.838 1.00 0.00 C ATOM 196 O ASP A 12 -16.800 5.511 -6.489 1.00 0.00 O ATOM 197 CB ASP A 12 -16.376 8.213 -6.602 1.00 0.00 C ATOM 198 CG ASP A 12 -16.689 7.780 -8.030 1.00 0.00 C ATOM 199 OD1 ASP A 12 -15.876 8.044 -8.900 1.00 0.00 O ATOM 200 OD2 ASP A 12 -17.739 7.192 -8.233 1.00 0.00 O ATOM 0 H ASP A 12 -14.224 7.852 -7.766 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.952 7.706 -5.059 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -17.273 8.147 -5.986 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -16.056 9.255 -6.589 1.00 0.00 H new ATOM 205 N ALA A 13 -15.206 5.149 -4.934 1.00 0.00 N ATOM 206 CA ALA A 13 -15.625 3.771 -4.640 1.00 0.00 C ATOM 207 C ALA A 13 -14.521 3.055 -3.874 1.00 0.00 C ATOM 208 O ALA A 13 -14.763 2.421 -2.847 1.00 0.00 O ATOM 209 CB ALA A 13 -15.917 2.980 -5.924 1.00 0.00 C ATOM 0 H ALA A 13 -14.404 5.466 -4.390 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.538 3.824 -4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -16.224 1.967 -5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.716 3.470 -6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.018 2.941 -6.540 1.00 0.00 H new ATOM 215 N CYS A 14 -13.300 3.170 -4.389 1.00 0.00 N ATOM 216 CA CYS A 14 -12.146 2.539 -3.755 1.00 0.00 C ATOM 217 C CYS A 14 -11.693 3.328 -2.522 1.00 0.00 C ATOM 218 O CYS A 14 -10.935 2.819 -1.698 1.00 0.00 O ATOM 219 CB CYS A 14 -10.981 2.450 -4.740 1.00 0.00 C ATOM 220 SG CYS A 14 -11.122 0.928 -5.707 1.00 0.00 S ATOM 0 H CYS A 14 -13.084 3.691 -5.239 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.447 1.538 -3.446 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.984 3.316 -5.402 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.034 2.464 -4.201 1.00 0.00 H new ATOM 225 N LYS A 15 -12.158 4.573 -2.400 1.00 0.00 N ATOM 226 CA LYS A 15 -11.784 5.404 -1.260 1.00 0.00 C ATOM 227 C LYS A 15 -12.503 4.948 0.011 1.00 0.00 C ATOM 228 O LYS A 15 -12.054 5.224 1.123 1.00 0.00 O ATOM 229 CB LYS A 15 -12.132 6.869 -1.531 1.00 0.00 C ATOM 230 CG LYS A 15 -11.301 7.381 -2.710 1.00 0.00 C ATOM 231 CD LYS A 15 -10.028 8.050 -2.186 1.00 0.00 C ATOM 232 CE LYS A 15 -8.937 7.980 -3.256 1.00 0.00 C ATOM 233 NZ LYS A 15 -9.074 9.089 -4.244 1.00 0.00 N ATOM 0 H LYS A 15 -12.785 5.021 -3.068 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.708 5.302 -1.116 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.195 6.967 -1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.934 7.471 -0.644 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.044 6.555 -3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.883 8.092 -3.297 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.231 9.089 -1.926 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.692 7.553 -1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.957 8.031 -2.782 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.992 7.022 -3.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.320 9.014 -4.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.000 9.024 -4.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.997 10.003 -3.753 1.00 0.00 H new ATOM 247 N ALA A 16 -13.628 4.251 -0.163 1.00 0.00 N ATOM 248 CA ALA A 16 -14.400 3.768 0.979 1.00 0.00 C ATOM 249 C ALA A 16 -13.552 2.854 1.863 1.00 0.00 C ATOM 250 O ALA A 16 -13.403 3.092 3.062 1.00 0.00 O ATOM 251 CB ALA A 16 -15.631 2.997 0.497 1.00 0.00 C ATOM 0 H ALA A 16 -14.020 4.011 -1.074 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.713 4.634 1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.198 2.642 1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.259 3.654 -0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.314 2.145 -0.105 1.00 0.00 H new ATOM 257 N GLU A 17 -13.004 1.801 1.260 1.00 0.00 N ATOM 258 CA GLU A 17 -12.178 0.852 2.005 1.00 0.00 C ATOM 259 C GLU A 17 -10.746 1.362 2.142 1.00 0.00 C ATOM 260 O GLU A 17 -10.195 1.412 3.242 1.00 0.00 O ATOM 261 CB GLU A 17 -12.154 -0.510 1.302 1.00 0.00 C ATOM 262 CG GLU A 17 -11.405 -1.530 2.170 1.00 0.00 C ATOM 263 CD GLU A 17 -11.557 -2.922 1.568 1.00 0.00 C ATOM 264 OE1 GLU A 17 -10.780 -3.253 0.687 1.00 0.00 O ATOM 265 OE2 GLU A 17 -12.449 -3.636 1.994 1.00 0.00 O ATOM 0 H GLU A 17 -13.115 1.584 0.269 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.617 0.745 2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.172 -0.853 1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.668 -0.419 0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.350 -1.263 2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.799 -1.517 3.186 1.00 0.00 H new ATOM 272 N SER A 18 -10.141 1.722 1.013 1.00 0.00 N ATOM 273 CA SER A 18 -8.764 2.207 1.027 1.00 0.00 C ATOM 274 C SER A 18 -8.687 3.617 1.610 1.00 0.00 C ATOM 275 O SER A 18 -8.342 3.796 2.778 1.00 0.00 O ATOM 276 CB SER A 18 -8.173 2.196 -0.386 1.00 0.00 C ATOM 277 OG SER A 18 -8.096 0.857 -0.852 1.00 0.00 O ATOM 0 H SER A 18 -10.574 1.688 0.090 1.00 0.00 H new ATOM 0 HA SER A 18 -8.182 1.537 1.659 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.793 2.791 -1.056 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.182 2.649 -0.382 1.00 0.00 H new ATOM 0 HG SER A 18 -8.032 0.854 -1.830 1.00 0.00 H new ATOM 283 N GLY A 19 -9.001 4.619 0.792 1.00 0.00 N ATOM 284 CA GLY A 19 -8.949 6.005 1.252 1.00 0.00 C ATOM 285 C GLY A 19 -7.501 6.459 1.403 1.00 0.00 C ATOM 286 O GLY A 19 -7.036 7.324 0.660 1.00 0.00 O ATOM 0 H GLY A 19 -9.290 4.501 -0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.467 6.650 0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.468 6.098 2.206 1.00 0.00 H new ATOM 290 N VAL A 20 -6.807 5.844 2.379 1.00 0.00 N ATOM 291 CA VAL A 20 -5.388 6.126 2.694 1.00 0.00 C ATOM 292 C VAL A 20 -4.920 7.518 2.227 1.00 0.00 C ATOM 293 O VAL A 20 -4.615 7.736 1.055 1.00 0.00 O ATOM 294 CB VAL A 20 -4.494 5.034 2.076 1.00 0.00 C ATOM 295 CG1 VAL A 20 -4.584 5.074 0.548 1.00 0.00 C ATOM 296 CG2 VAL A 20 -3.039 5.240 2.511 1.00 0.00 C ATOM 0 H VAL A 20 -7.218 5.129 2.979 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.300 6.121 3.780 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.841 4.062 2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.947 4.297 0.126 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.616 4.905 0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.253 6.049 0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.414 4.464 2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.694 6.218 2.176 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.973 5.185 3.598 1.00 0.00 H new ATOM 306 N SER A 21 -4.875 8.455 3.169 1.00 0.00 N ATOM 307 CA SER A 21 -4.450 9.817 2.857 1.00 0.00 C ATOM 308 C SER A 21 -2.994 9.822 2.397 1.00 0.00 C ATOM 309 O SER A 21 -2.413 8.772 2.123 1.00 0.00 O ATOM 310 CB SER A 21 -4.595 10.716 4.086 1.00 0.00 C ATOM 311 OG SER A 21 -3.586 10.384 5.032 1.00 0.00 O ATOM 0 H SER A 21 -5.125 8.300 4.146 1.00 0.00 H new ATOM 0 HA SER A 21 -5.084 10.199 2.057 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.508 11.763 3.797 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.582 10.588 4.530 1.00 0.00 H new ATOM 0 HG SER A 21 -3.675 10.959 5.820 1.00 0.00 H new ATOM 317 N GLU A 22 -2.409 11.015 2.315 1.00 0.00 N ATOM 318 CA GLU A 22 -1.018 11.142 1.887 1.00 0.00 C ATOM 319 C GLU A 22 -0.080 11.024 3.089 1.00 0.00 C ATOM 320 O GLU A 22 0.745 11.903 3.349 1.00 0.00 O ATOM 321 CB GLU A 22 -0.794 12.489 1.194 1.00 0.00 C ATOM 322 CG GLU A 22 0.235 12.325 0.073 1.00 0.00 C ATOM 323 CD GLU A 22 0.970 13.644 -0.140 1.00 0.00 C ATOM 324 OE1 GLU A 22 1.303 14.280 0.846 1.00 0.00 O ATOM 325 OE2 GLU A 22 1.189 13.999 -1.286 1.00 0.00 O ATOM 0 H GLU A 22 -2.870 11.898 2.536 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.802 10.338 1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.734 12.861 0.787 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.445 13.227 1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.945 11.538 0.329 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.261 12.020 -0.848 1.00 0.00 H new ATOM 332 N GLU A 23 -0.213 9.920 3.821 1.00 0.00 N ATOM 333 CA GLU A 23 0.625 9.685 4.992 1.00 0.00 C ATOM 334 C GLU A 23 1.583 8.529 4.725 1.00 0.00 C ATOM 335 O GLU A 23 2.802 8.699 4.731 1.00 0.00 O ATOM 336 CB GLU A 23 -0.237 9.347 6.210 1.00 0.00 C ATOM 337 CG GLU A 23 0.500 9.756 7.487 1.00 0.00 C ATOM 338 CD GLU A 23 0.316 11.252 7.724 1.00 0.00 C ATOM 339 OE1 GLU A 23 -0.821 11.678 7.841 1.00 0.00 O ATOM 340 OE2 GLU A 23 1.316 11.949 7.785 1.00 0.00 O ATOM 0 H GLU A 23 -0.888 9.180 3.625 1.00 0.00 H new ATOM 0 HA GLU A 23 1.191 10.594 5.194 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.193 9.866 6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.455 8.279 6.229 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.116 9.192 8.337 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.560 9.519 7.400 1.00 0.00 H new ATOM 347 N SER A 24 1.014 7.353 4.480 1.00 0.00 N ATOM 348 CA SER A 24 1.823 6.171 4.200 1.00 0.00 C ATOM 349 C SER A 24 2.483 6.306 2.831 1.00 0.00 C ATOM 350 O SER A 24 3.604 5.847 2.616 1.00 0.00 O ATOM 351 CB SER A 24 0.959 4.911 4.217 1.00 0.00 C ATOM 352 OG SER A 24 -0.123 5.097 5.121 1.00 0.00 O ATOM 0 H SER A 24 0.007 7.193 4.469 1.00 0.00 H new ATOM 0 HA SER A 24 2.588 6.089 4.972 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.580 4.702 3.216 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.556 4.050 4.518 1.00 0.00 H new ATOM 0 HG SER A 24 -0.681 4.291 5.134 1.00 0.00 H new ATOM 358 N LEU A 25 1.768 6.948 1.908 1.00 0.00 N ATOM 359 CA LEU A 25 2.283 7.152 0.558 1.00 0.00 C ATOM 360 C LEU A 25 3.573 7.967 0.596 1.00 0.00 C ATOM 361 O LEU A 25 4.527 7.680 -0.127 1.00 0.00 O ATOM 362 CB LEU A 25 1.246 7.894 -0.288 1.00 0.00 C ATOM 363 CG LEU A 25 0.057 7.057 -0.780 1.00 0.00 C ATOM 364 CD1 LEU A 25 0.520 6.109 -1.886 1.00 0.00 C ATOM 365 CD2 LEU A 25 -0.528 6.238 0.378 1.00 0.00 C ATOM 0 H LEU A 25 0.837 7.333 2.070 1.00 0.00 H new ATOM 0 HA LEU A 25 2.489 6.177 0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.860 8.729 0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.750 8.318 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.710 7.728 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.325 5.516 -2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.923 6.688 -2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.293 5.446 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.371 5.648 0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.238 5.572 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.867 6.911 1.165 1.00 0.00 H new ATOM 377 N ASN A 26 3.590 8.985 1.454 1.00 0.00 N ATOM 378 CA ASN A 26 4.769 9.837 1.586 1.00 0.00 C ATOM 379 C ASN A 26 5.935 9.038 2.157 1.00 0.00 C ATOM 380 O ASN A 26 7.083 9.207 1.746 1.00 0.00 O ATOM 381 CB ASN A 26 4.475 11.020 2.510 1.00 0.00 C ATOM 382 CG ASN A 26 3.745 12.108 1.730 1.00 0.00 C ATOM 383 OD1 ASN A 26 3.917 12.232 0.517 1.00 0.00 O ATOM 384 ND2 ASN A 26 2.934 12.914 2.360 1.00 0.00 N ATOM 0 H ASN A 26 2.811 9.238 2.061 1.00 0.00 H new ATOM 0 HA ASN A 26 5.031 10.209 0.596 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.867 10.693 3.354 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.405 11.414 2.920 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.443 13.646 1.847 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.791 12.811 3.365 1.00 0.00 H new ATOM 391 N LYS A 27 5.625 8.159 3.107 1.00 0.00 N ATOM 392 CA LYS A 27 6.653 7.327 3.731 1.00 0.00 C ATOM 393 C LYS A 27 7.344 6.454 2.685 1.00 0.00 C ATOM 394 O LYS A 27 8.511 6.093 2.830 1.00 0.00 O ATOM 395 CB LYS A 27 6.033 6.423 4.800 1.00 0.00 C ATOM 396 CG LYS A 27 5.660 7.260 6.025 1.00 0.00 C ATOM 397 CD LYS A 27 5.410 6.334 7.217 1.00 0.00 C ATOM 398 CE LYS A 27 4.529 7.049 8.243 1.00 0.00 C ATOM 399 NZ LYS A 27 4.146 6.137 9.359 1.00 0.00 N ATOM 0 H LYS A 27 4.680 8.004 3.459 1.00 0.00 H new ATOM 0 HA LYS A 27 7.385 7.989 4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.148 5.927 4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.737 5.640 5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.461 7.962 6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.769 7.852 5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.926 5.416 6.883 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.358 6.047 7.673 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.061 7.913 8.643 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.631 7.426 7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.549 6.651 10.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.618 5.326 8.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.003 5.797 9.840 1.00 0.00 H new ATOM 413 N VAL A 28 6.606 6.120 1.626 1.00 0.00 N ATOM 414 CA VAL A 28 7.155 5.291 0.556 1.00 0.00 C ATOM 415 C VAL A 28 8.359 5.977 -0.091 1.00 0.00 C ATOM 416 O VAL A 28 9.270 5.316 -0.590 1.00 0.00 O ATOM 417 CB VAL A 28 6.089 5.029 -0.512 1.00 0.00 C ATOM 418 CG1 VAL A 28 6.627 4.039 -1.547 1.00 0.00 C ATOM 419 CG2 VAL A 28 4.842 4.440 0.152 1.00 0.00 C ATOM 0 H VAL A 28 5.637 6.408 1.488 1.00 0.00 H new ATOM 0 HA VAL A 28 7.474 4.344 0.991 1.00 0.00 H new ATOM 0 HB VAL A 28 5.835 5.966 -1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.866 3.855 -2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.517 4.455 -2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.882 3.101 -1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.081 4.252 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.101 3.504 0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.455 5.144 0.889 1.00 0.00 H new ATOM 429 N ARG A 29 8.355 7.310 -0.075 1.00 0.00 N ATOM 430 CA ARG A 29 9.455 8.078 -0.663 1.00 0.00 C ATOM 431 C ARG A 29 10.789 7.680 -0.032 1.00 0.00 C ATOM 432 O ARG A 29 11.834 7.719 -0.681 1.00 0.00 O ATOM 433 CB ARG A 29 9.233 9.577 -0.450 1.00 0.00 C ATOM 434 CG ARG A 29 7.917 9.997 -1.109 1.00 0.00 C ATOM 435 CD ARG A 29 8.028 11.441 -1.600 1.00 0.00 C ATOM 436 NE ARG A 29 6.773 11.879 -2.203 1.00 0.00 N ATOM 437 CZ ARG A 29 6.683 13.050 -2.826 1.00 0.00 C ATOM 438 NH1 ARG A 29 6.824 14.159 -2.153 1.00 0.00 N ATOM 439 NH2 ARG A 29 6.454 13.090 -4.110 1.00 0.00 N ATOM 0 H ARG A 29 7.612 7.876 0.334 1.00 0.00 H new ATOM 0 HA ARG A 29 9.481 7.860 -1.731 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.207 9.804 0.616 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.062 10.142 -0.876 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.689 9.335 -1.944 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.097 9.906 -0.397 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.284 12.095 -0.767 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.835 11.522 -2.328 1.00 0.00 H new ATOM 0 HE ARG A 29 5.952 11.277 -2.145 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.003 14.127 -1.149 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.755 15.058 -2.631 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.344 12.223 -4.636 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.385 13.988 -4.588 1.00 0.00 H new ATOM 453 N ASN A 30 10.737 7.291 1.238 1.00 0.00 N ATOM 454 CA ASN A 30 11.943 6.880 1.950 1.00 0.00 C ATOM 455 C ASN A 30 11.946 5.369 2.152 1.00 0.00 C ATOM 456 O ASN A 30 10.947 4.693 1.905 1.00 0.00 O ATOM 457 CB ASN A 30 12.021 7.567 3.315 1.00 0.00 C ATOM 458 CG ASN A 30 13.481 7.799 3.687 1.00 0.00 C ATOM 459 OD1 ASN A 30 14.354 7.013 3.318 1.00 0.00 O ATOM 460 ND2 ASN A 30 13.803 8.842 4.401 1.00 0.00 N ATOM 0 H ASN A 30 9.881 7.252 1.792 1.00 0.00 H new ATOM 0 HA ASN A 30 12.806 7.171 1.351 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.487 8.517 3.287 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.536 6.951 4.072 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.778 9.006 4.653 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.080 9.493 4.707 1.00 0.00 H new ATOM 467 N ARG A 31 13.080 4.844 2.606 1.00 0.00 N ATOM 468 CA ARG A 31 13.203 3.409 2.839 1.00 0.00 C ATOM 469 C ARG A 31 12.472 3.015 4.123 1.00 0.00 C ATOM 470 O ARG A 31 13.088 2.656 5.128 1.00 0.00 O ATOM 471 CB ARG A 31 14.678 3.009 2.945 1.00 0.00 C ATOM 472 CG ARG A 31 14.875 1.611 2.355 1.00 0.00 C ATOM 473 CD ARG A 31 16.290 1.491 1.786 1.00 0.00 C ATOM 474 NE ARG A 31 17.284 1.839 2.798 1.00 0.00 N ATOM 475 CZ ARG A 31 18.281 2.675 2.520 1.00 0.00 C ATOM 476 NH1 ARG A 31 19.178 2.346 1.631 1.00 0.00 N ATOM 477 NH2 ARG A 31 18.361 3.823 3.134 1.00 0.00 N ATOM 0 H ARG A 31 13.919 5.384 2.818 1.00 0.00 H new ATOM 0 HA ARG A 31 12.752 2.886 1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 31 15.300 3.730 2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 31 14.995 3.022 3.988 1.00 0.00 H new ATOM 0 HG2 ARG A 31 14.716 0.855 3.124 1.00 0.00 H new ATOM 0 HG3 ARG A 31 14.140 1.429 1.571 1.00 0.00 H new ATOM 0 HD2 ARG A 31 16.461 0.473 1.436 1.00 0.00 H new ATOM 0 HD3 ARG A 31 16.397 2.148 0.923 1.00 0.00 H new ATOM 0 HE ARG A 31 17.213 1.435 3.732 1.00 0.00 H new ATOM 0 HH11 ARG A 31 19.114 1.449 1.150 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.943 2.986 1.417 1.00 0.00 H new ATOM 0 HH21 ARG A 31 17.659 4.080 3.828 1.00 0.00 H new ATOM 0 HH22 ARG A 31 19.126 4.463 2.920 1.00 0.00 H new ATOM 491 N GLU A 32 11.145 3.090 4.077 1.00 0.00 N ATOM 492 CA GLU A 32 10.330 2.742 5.238 1.00 0.00 C ATOM 493 C GLU A 32 9.032 2.073 4.797 1.00 0.00 C ATOM 494 O GLU A 32 8.051 2.743 4.469 1.00 0.00 O ATOM 495 CB GLU A 32 9.993 3.995 6.049 1.00 0.00 C ATOM 496 CG GLU A 32 11.242 4.481 6.786 1.00 0.00 C ATOM 497 CD GLU A 32 11.536 3.554 7.959 1.00 0.00 C ATOM 498 OE1 GLU A 32 12.075 2.485 7.725 1.00 0.00 O ATOM 499 OE2 GLU A 32 11.217 3.925 9.077 1.00 0.00 O ATOM 0 H GLU A 32 10.615 3.385 3.257 1.00 0.00 H new ATOM 0 HA GLU A 32 10.903 2.051 5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.620 4.778 5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.199 3.776 6.763 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.093 4.503 6.105 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.093 5.500 7.143 1.00 0.00 H new ATOM 506 N GLU A 33 9.037 0.744 4.792 1.00 0.00 N ATOM 507 CA GLU A 33 7.854 -0.013 4.389 1.00 0.00 C ATOM 508 C GLU A 33 6.790 0.043 5.481 1.00 0.00 C ATOM 509 O GLU A 33 7.097 0.221 6.659 1.00 0.00 O ATOM 510 CB GLU A 33 8.217 -1.475 4.123 1.00 0.00 C ATOM 511 CG GLU A 33 8.956 -1.582 2.787 1.00 0.00 C ATOM 512 CD GLU A 33 9.770 -2.871 2.758 1.00 0.00 C ATOM 513 OE1 GLU A 33 10.739 -2.953 3.494 1.00 0.00 O ATOM 514 OE2 GLU A 33 9.413 -3.757 2.000 1.00 0.00 O ATOM 0 H GLU A 33 9.838 0.172 5.059 1.00 0.00 H new ATOM 0 HA GLU A 33 7.463 0.435 3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.843 -1.858 4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.315 -2.087 4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.243 -1.571 1.963 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.612 -0.722 2.652 1.00 0.00 H new ATOM 521 N VAL A 34 5.533 -0.112 5.074 1.00 0.00 N ATOM 522 CA VAL A 34 4.426 -0.080 6.025 1.00 0.00 C ATOM 523 C VAL A 34 3.417 -1.180 5.709 1.00 0.00 C ATOM 524 O VAL A 34 3.092 -1.431 4.549 1.00 0.00 O ATOM 525 CB VAL A 34 3.720 1.279 5.983 1.00 0.00 C ATOM 526 CG1 VAL A 34 4.701 2.377 6.398 1.00 0.00 C ATOM 527 CG2 VAL A 34 3.219 1.559 4.562 1.00 0.00 C ATOM 0 H VAL A 34 5.257 -0.259 4.103 1.00 0.00 H new ATOM 0 HA VAL A 34 4.835 -0.242 7.022 1.00 0.00 H new ATOM 0 HB VAL A 34 2.873 1.264 6.669 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.199 3.344 6.368 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.056 2.184 7.410 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.548 2.387 5.712 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.718 2.527 4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.064 1.570 3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.518 0.779 4.263 1.00 0.00 H new ATOM 537 N ASP A 35 2.921 -1.832 6.757 1.00 0.00 N ATOM 538 CA ASP A 35 1.944 -2.902 6.582 1.00 0.00 C ATOM 539 C ASP A 35 0.526 -2.331 6.603 1.00 0.00 C ATOM 540 O ASP A 35 -0.286 -2.660 7.470 1.00 0.00 O ATOM 541 CB ASP A 35 2.092 -3.947 7.691 1.00 0.00 C ATOM 542 CG ASP A 35 1.988 -3.265 9.051 1.00 0.00 C ATOM 543 OD1 ASP A 35 2.963 -2.660 9.465 1.00 0.00 O ATOM 544 OD2 ASP A 35 0.934 -3.357 9.659 1.00 0.00 O ATOM 0 H ASP A 35 3.176 -1.641 7.726 1.00 0.00 H new ATOM 0 HA ASP A 35 2.125 -3.378 5.618 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.318 -4.708 7.594 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.052 -4.456 7.600 1.00 0.00 H new ATOM 549 N ASP A 36 0.239 -1.465 5.635 1.00 0.00 N ATOM 550 CA ASP A 36 -1.080 -0.847 5.547 1.00 0.00 C ATOM 551 C ASP A 36 -1.899 -1.486 4.418 1.00 0.00 C ATOM 552 O ASP A 36 -1.400 -1.647 3.304 1.00 0.00 O ATOM 553 CB ASP A 36 -0.950 0.653 5.277 1.00 0.00 C ATOM 554 CG ASP A 36 -0.713 1.389 6.591 1.00 0.00 C ATOM 555 OD1 ASP A 36 -1.687 1.734 7.239 1.00 0.00 O ATOM 556 OD2 ASP A 36 0.441 1.596 6.931 1.00 0.00 O ATOM 0 H ASP A 36 0.894 -1.178 4.908 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.588 -1.004 6.498 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.125 0.839 4.590 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.855 1.026 4.797 1.00 0.00 H new ATOM 561 N PRO A 37 -3.163 -1.855 4.683 1.00 0.00 N ATOM 562 CA PRO A 37 -4.024 -2.472 3.664 1.00 0.00 C ATOM 563 C PRO A 37 -4.485 -1.467 2.609 1.00 0.00 C ATOM 564 O PRO A 37 -4.345 -1.696 1.409 1.00 0.00 O ATOM 565 CB PRO A 37 -5.217 -3.000 4.458 1.00 0.00 C ATOM 566 CG PRO A 37 -5.273 -2.158 5.685 1.00 0.00 C ATOM 567 CD PRO A 37 -3.866 -1.713 5.970 1.00 0.00 C ATOM 0 HA PRO A 37 -3.497 -3.248 3.109 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.139 -2.920 3.883 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.088 -4.053 4.709 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.927 -1.299 5.535 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.677 -2.724 6.524 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.840 -0.682 6.324 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.405 -2.327 6.743 1.00 0.00 H new ATOM 575 N LYS A 38 -5.037 -0.348 3.078 1.00 0.00 N ATOM 576 CA LYS A 38 -5.523 0.701 2.178 1.00 0.00 C ATOM 577 C LYS A 38 -4.430 1.137 1.200 1.00 0.00 C ATOM 578 O LYS A 38 -4.717 1.561 0.080 1.00 0.00 O ATOM 579 CB LYS A 38 -5.978 1.922 2.981 1.00 0.00 C ATOM 580 CG LYS A 38 -7.037 1.505 4.008 1.00 0.00 C ATOM 581 CD LYS A 38 -6.798 2.248 5.324 1.00 0.00 C ATOM 582 CE LYS A 38 -8.140 2.552 5.993 1.00 0.00 C ATOM 583 NZ LYS A 38 -7.989 2.717 7.467 1.00 0.00 N ATOM 0 H LYS A 38 -5.159 -0.144 4.070 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.363 0.290 1.618 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.125 2.373 3.488 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.387 2.678 2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.034 1.729 3.628 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.993 0.429 4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.178 1.644 5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.255 3.175 5.137 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.564 3.461 5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.842 1.745 5.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.917 2.922 7.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.607 1.841 7.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.337 3.503 7.663 1.00 0.00 H new ATOM 597 N LEU A 39 -3.176 1.027 1.633 1.00 0.00 N ATOM 598 CA LEU A 39 -2.053 1.412 0.781 1.00 0.00 C ATOM 599 C LEU A 39 -1.992 0.505 -0.445 1.00 0.00 C ATOM 600 O LEU A 39 -2.120 0.961 -1.582 1.00 0.00 O ATOM 601 CB LEU A 39 -0.732 1.315 1.554 1.00 0.00 C ATOM 602 CG LEU A 39 0.222 2.501 1.374 1.00 0.00 C ATOM 603 CD1 LEU A 39 1.463 2.294 2.243 1.00 0.00 C ATOM 604 CD2 LEU A 39 0.640 2.599 -0.095 1.00 0.00 C ATOM 0 H LEU A 39 -2.914 0.680 2.555 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.202 2.444 0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.958 1.210 2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.216 0.405 1.246 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.281 3.421 1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.142 3.137 2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.167 2.222 3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.967 1.375 1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.319 3.442 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.143 1.679 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.244 2.746 -0.716 1.00 0.00 H new ATOM 616 N LYS A 40 -1.802 -0.785 -0.196 1.00 0.00 N ATOM 617 CA LYS A 40 -1.732 -1.762 -1.280 1.00 0.00 C ATOM 618 C LYS A 40 -3.066 -1.811 -2.014 1.00 0.00 C ATOM 619 O LYS A 40 -3.122 -1.991 -3.231 1.00 0.00 O ATOM 620 CB LYS A 40 -1.416 -3.161 -0.737 1.00 0.00 C ATOM 621 CG LYS A 40 -0.257 -3.087 0.263 1.00 0.00 C ATOM 622 CD LYS A 40 0.435 -4.449 0.344 1.00 0.00 C ATOM 623 CE LYS A 40 -0.207 -5.282 1.454 1.00 0.00 C ATOM 624 NZ LYS A 40 0.519 -6.566 1.662 1.00 0.00 N ATOM 0 H LYS A 40 -1.694 -1.179 0.739 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.937 -1.457 -1.960 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.298 -3.580 -0.253 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.156 -3.829 -1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.456 -2.323 -0.046 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.629 -2.797 1.246 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.351 -4.969 -0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.499 -4.317 0.543 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.212 -4.711 2.382 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.247 -5.488 1.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.028 -7.129 2.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.546 -7.098 0.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.490 -6.369 1.977 1.00 0.00 H new ATOM 638 N GLU A 41 -4.143 -1.651 -1.250 1.00 0.00 N ATOM 639 CA GLU A 41 -5.488 -1.678 -1.814 1.00 0.00 C ATOM 640 C GLU A 41 -5.696 -0.518 -2.784 1.00 0.00 C ATOM 641 O GLU A 41 -6.051 -0.715 -3.945 1.00 0.00 O ATOM 642 CB GLU A 41 -6.528 -1.580 -0.695 1.00 0.00 C ATOM 643 CG GLU A 41 -7.922 -1.846 -1.269 1.00 0.00 C ATOM 644 CD GLU A 41 -8.148 -3.349 -1.379 1.00 0.00 C ATOM 645 OE1 GLU A 41 -8.102 -4.011 -0.355 1.00 0.00 O ATOM 646 OE2 GLU A 41 -8.365 -3.817 -2.485 1.00 0.00 O ATOM 0 H GLU A 41 -4.110 -1.502 -0.242 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.607 -2.618 -2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.302 -2.302 0.090 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.494 -0.591 -0.238 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.682 -1.399 -0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.018 -1.380 -2.250 1.00 0.00 H new ATOM 653 N HIS A 42 -5.479 0.701 -2.286 1.00 0.00 N ATOM 654 CA HIS A 42 -5.654 1.908 -3.101 1.00 0.00 C ATOM 655 C HIS A 42 -4.905 1.808 -4.431 1.00 0.00 C ATOM 656 O HIS A 42 -5.484 2.009 -5.498 1.00 0.00 O ATOM 657 CB HIS A 42 -5.143 3.138 -2.346 1.00 0.00 C ATOM 658 CG HIS A 42 -5.639 4.385 -3.026 1.00 0.00 C ATOM 659 ND1 HIS A 42 -4.791 5.424 -3.376 1.00 0.00 N ATOM 660 CD2 HIS A 42 -6.893 4.773 -3.428 1.00 0.00 C ATOM 661 CE1 HIS A 42 -5.538 6.378 -3.959 1.00 0.00 C ATOM 662 NE2 HIS A 42 -6.827 6.033 -4.017 1.00 0.00 N ATOM 0 H HIS A 42 -5.183 0.880 -1.326 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.721 2.004 -3.304 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.488 3.113 -1.312 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -4.053 3.135 -2.319 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -3.784 5.459 -3.220 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.794 4.190 -3.306 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -5.143 7.310 -4.335 1.00 0.00 H new ATOM 670 N ALA A 43 -3.610 1.504 -4.352 1.00 0.00 N ATOM 671 CA ALA A 43 -2.772 1.392 -5.552 1.00 0.00 C ATOM 672 C ALA A 43 -3.405 0.479 -6.604 1.00 0.00 C ATOM 673 O ALA A 43 -3.409 0.795 -7.794 1.00 0.00 O ATOM 674 CB ALA A 43 -1.393 0.843 -5.188 1.00 0.00 C ATOM 0 H ALA A 43 -3.117 1.331 -3.476 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.678 2.394 -5.971 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.783 0.766 -6.088 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.910 1.515 -4.479 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.501 -0.144 -4.737 1.00 0.00 H new ATOM 680 N PHE A 44 -3.938 -0.658 -6.159 1.00 0.00 N ATOM 681 CA PHE A 44 -4.568 -1.610 -7.079 1.00 0.00 C ATOM 682 C PHE A 44 -5.675 -0.929 -7.887 1.00 0.00 C ATOM 683 O PHE A 44 -5.829 -1.174 -9.084 1.00 0.00 O ATOM 684 CB PHE A 44 -5.159 -2.796 -6.304 1.00 0.00 C ATOM 685 CG PHE A 44 -5.709 -3.825 -7.271 1.00 0.00 C ATOM 686 CD1 PHE A 44 -4.919 -4.290 -8.331 1.00 0.00 C ATOM 687 CD2 PHE A 44 -7.013 -4.310 -7.106 1.00 0.00 C ATOM 688 CE1 PHE A 44 -5.434 -5.238 -9.224 1.00 0.00 C ATOM 689 CE2 PHE A 44 -7.526 -5.257 -7.998 1.00 0.00 C ATOM 690 CZ PHE A 44 -6.737 -5.721 -9.058 1.00 0.00 C ATOM 0 H PHE A 44 -3.948 -0.942 -5.179 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.801 -1.974 -7.762 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.392 -3.249 -5.676 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.951 -2.449 -5.640 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.913 -3.917 -8.459 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.622 -3.952 -6.289 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.825 -5.596 -10.041 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.531 -5.631 -7.869 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.134 -6.452 -9.747 1.00 0.00 H new ATOM 700 N CYS A 45 -6.439 -0.075 -7.217 1.00 0.00 N ATOM 701 CA CYS A 45 -7.529 0.636 -7.876 1.00 0.00 C ATOM 702 C CYS A 45 -6.999 1.624 -8.918 1.00 0.00 C ATOM 703 O CYS A 45 -7.730 2.041 -9.816 1.00 0.00 O ATOM 704 CB CYS A 45 -8.362 1.400 -6.847 1.00 0.00 C ATOM 705 SG CYS A 45 -9.231 0.220 -5.786 1.00 0.00 S ATOM 0 H CYS A 45 -6.326 0.141 -6.227 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.149 -0.107 -8.378 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.718 2.042 -6.246 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -9.078 2.049 -7.351 1.00 0.00 H new ATOM 710 N ILE A 46 -5.726 2.003 -8.792 1.00 0.00 N ATOM 711 CA ILE A 46 -5.134 2.953 -9.734 1.00 0.00 C ATOM 712 C ILE A 46 -4.496 2.223 -10.913 1.00 0.00 C ATOM 713 O ILE A 46 -4.597 2.663 -12.056 1.00 0.00 O ATOM 714 CB ILE A 46 -4.065 3.820 -9.049 1.00 0.00 C ATOM 715 CG1 ILE A 46 -4.545 4.278 -7.660 1.00 0.00 C ATOM 716 CG2 ILE A 46 -3.780 5.049 -9.915 1.00 0.00 C ATOM 717 CD1 ILE A 46 -5.880 5.024 -7.775 1.00 0.00 C ATOM 0 H ILE A 46 -5.095 1.674 -8.061 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.939 3.593 -10.094 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.158 3.227 -8.928 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.659 3.415 -7.005 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.797 4.927 -7.205 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.022 5.666 -9.432 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.419 4.729 -10.893 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.695 5.628 -10.038 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.206 5.341 -6.784 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.754 5.899 -8.413 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.630 4.363 -8.209 1.00 0.00 H new ATOM 729 N LEU A 47 -3.832 1.104 -10.625 1.00 0.00 N ATOM 730 CA LEU A 47 -3.177 0.327 -11.678 1.00 0.00 C ATOM 731 C LEU A 47 -4.193 -0.133 -12.722 1.00 0.00 C ATOM 732 O LEU A 47 -3.922 -0.111 -13.923 1.00 0.00 O ATOM 733 CB LEU A 47 -2.479 -0.903 -11.087 1.00 0.00 C ATOM 734 CG LEU A 47 -1.066 -0.667 -10.543 1.00 0.00 C ATOM 735 CD1 LEU A 47 -0.199 -0.023 -11.623 1.00 0.00 C ATOM 736 CD2 LEU A 47 -1.136 0.254 -9.324 1.00 0.00 C ATOM 0 H LEU A 47 -3.734 0.719 -9.686 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.437 0.972 -12.153 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.098 -1.297 -10.281 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.429 -1.674 -11.856 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.627 -1.621 -10.252 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.805 0.143 -11.232 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.147 -0.683 -12.489 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.636 0.931 -11.919 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.131 0.422 -8.937 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.578 1.208 -9.613 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.749 -0.210 -8.552 1.00 0.00 H new ATOM 748 N LYS A 48 -5.364 -0.554 -12.251 1.00 0.00 N ATOM 749 CA LYS A 48 -6.416 -1.021 -13.152 1.00 0.00 C ATOM 750 C LYS A 48 -6.916 0.116 -14.042 1.00 0.00 C ATOM 751 O LYS A 48 -7.359 -0.109 -15.169 1.00 0.00 O ATOM 752 CB LYS A 48 -7.595 -1.584 -12.353 1.00 0.00 C ATOM 753 CG LYS A 48 -8.239 -2.750 -13.121 1.00 0.00 C ATOM 754 CD LYS A 48 -9.761 -2.574 -13.151 1.00 0.00 C ATOM 755 CE LYS A 48 -10.318 -2.694 -11.731 1.00 0.00 C ATOM 756 NZ LYS A 48 -11.520 -1.833 -11.545 1.00 0.00 N ATOM 0 H LYS A 48 -5.608 -0.582 -11.261 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.991 -1.805 -13.778 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.253 -1.925 -11.376 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.333 -0.801 -12.177 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.848 -2.788 -14.138 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.982 -3.697 -12.645 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.017 -1.602 -13.572 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.212 -3.329 -13.795 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.577 -3.733 -11.527 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.550 -2.410 -11.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.874 -1.936 -10.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.265 -0.839 -11.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.261 -2.121 -12.216 1.00 0.00 H new ATOM 770 N ARG A 49 -6.848 1.340 -13.522 1.00 0.00 N ATOM 771 CA ARG A 49 -7.304 2.506 -14.279 1.00 0.00 C ATOM 772 C ARG A 49 -6.164 3.103 -15.102 1.00 0.00 C ATOM 773 O ARG A 49 -6.387 3.683 -16.165 1.00 0.00 O ATOM 774 CB ARG A 49 -7.845 3.578 -13.331 1.00 0.00 C ATOM 775 CG ARG A 49 -9.298 3.261 -12.973 1.00 0.00 C ATOM 776 CD ARG A 49 -10.234 4.012 -13.921 1.00 0.00 C ATOM 777 NE ARG A 49 -10.521 3.209 -15.106 1.00 0.00 N ATOM 778 CZ ARG A 49 -11.015 3.765 -16.209 1.00 0.00 C ATOM 779 NH1 ARG A 49 -12.253 4.174 -16.234 1.00 0.00 N ATOM 780 NH2 ARG A 49 -10.259 3.903 -17.265 1.00 0.00 N ATOM 0 H ARG A 49 -6.487 1.550 -12.592 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.096 2.175 -14.951 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.238 3.618 -12.427 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.782 4.559 -13.801 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.475 2.188 -13.045 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.500 3.549 -11.941 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.164 4.254 -13.406 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.778 4.957 -14.217 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.340 2.205 -15.088 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.842 4.068 -15.408 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.632 4.600 -17.079 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.290 3.585 -17.244 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.637 4.329 -18.111 1.00 0.00 H new ATOM 794 N ALA A 50 -4.941 2.958 -14.598 1.00 0.00 N ATOM 795 CA ALA A 50 -3.769 3.491 -15.290 1.00 0.00 C ATOM 796 C ALA A 50 -3.639 2.890 -16.688 1.00 0.00 C ATOM 797 O ALA A 50 -3.092 3.515 -17.598 1.00 0.00 O ATOM 798 CB ALA A 50 -2.497 3.185 -14.498 1.00 0.00 C ATOM 0 H ALA A 50 -4.736 2.480 -13.721 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.899 4.570 -15.375 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.633 3.588 -15.027 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.564 3.642 -13.511 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.386 2.106 -14.391 1.00 0.00 H new ATOM 804 N GLY A 51 -4.141 1.669 -16.851 1.00 0.00 N ATOM 805 CA GLY A 51 -4.072 0.993 -18.141 1.00 0.00 C ATOM 806 C GLY A 51 -2.873 0.052 -18.194 1.00 0.00 C ATOM 807 O GLY A 51 -2.283 -0.167 -19.252 1.00 0.00 O ATOM 0 H GLY A 51 -4.596 1.132 -16.113 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.990 0.430 -18.312 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.997 1.731 -18.940 1.00 0.00 H new ATOM 811 N PHE A 52 -2.521 -0.503 -17.037 1.00 0.00 N ATOM 812 CA PHE A 52 -1.392 -1.424 -16.954 1.00 0.00 C ATOM 813 C PHE A 52 -1.877 -2.812 -16.553 1.00 0.00 C ATOM 814 O PHE A 52 -1.701 -3.786 -17.285 1.00 0.00 O ATOM 815 CB PHE A 52 -0.378 -0.930 -15.919 1.00 0.00 C ATOM 816 CG PHE A 52 0.430 0.202 -16.505 1.00 0.00 C ATOM 817 CD1 PHE A 52 1.160 0.006 -17.683 1.00 0.00 C ATOM 818 CD2 PHE A 52 0.450 1.449 -15.869 1.00 0.00 C ATOM 819 CE1 PHE A 52 1.908 1.056 -18.227 1.00 0.00 C ATOM 820 CE2 PHE A 52 1.199 2.500 -16.412 1.00 0.00 C ATOM 821 CZ PHE A 52 1.928 2.303 -17.592 1.00 0.00 C ATOM 0 H PHE A 52 -2.997 -0.333 -16.151 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.915 -1.472 -17.933 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.895 -0.594 -15.020 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.281 -1.746 -15.622 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.146 -0.957 -18.173 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.112 1.600 -14.959 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.470 0.904 -19.137 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.215 3.462 -15.921 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.505 3.113 -18.012 1.00 0.00 H new ATOM 831 N ILE A 53 -2.495 -2.887 -15.379 1.00 0.00 N ATOM 832 CA ILE A 53 -3.017 -4.153 -14.875 1.00 0.00 C ATOM 833 C ILE A 53 -4.499 -4.283 -15.259 1.00 0.00 C ATOM 834 O ILE A 53 -5.070 -3.374 -15.862 1.00 0.00 O ATOM 835 CB ILE A 53 -2.805 -4.226 -13.341 1.00 0.00 C ATOM 836 CG1 ILE A 53 -2.741 -5.688 -12.891 1.00 0.00 C ATOM 837 CG2 ILE A 53 -3.927 -3.506 -12.574 1.00 0.00 C ATOM 838 CD1 ILE A 53 -1.721 -5.832 -11.751 1.00 0.00 C ATOM 0 H ILE A 53 -2.646 -2.090 -14.761 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.482 -4.990 -15.323 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.864 -3.724 -13.116 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.724 -6.020 -12.557 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.457 -6.325 -13.729 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.741 -3.580 -11.503 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.952 -2.456 -12.866 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.885 -3.971 -12.809 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.677 -6.873 -11.432 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.738 -5.517 -12.101 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.024 -5.208 -10.911 1.00 0.00 H new ATOM 850 N ASP A 54 -5.117 -5.409 -14.911 1.00 0.00 N ATOM 851 CA ASP A 54 -6.526 -5.611 -15.239 1.00 0.00 C ATOM 852 C ASP A 54 -7.248 -6.361 -14.124 1.00 0.00 C ATOM 853 O ASP A 54 -6.627 -6.876 -13.193 1.00 0.00 O ATOM 854 CB ASP A 54 -6.671 -6.392 -16.548 1.00 0.00 C ATOM 855 CG ASP A 54 -5.907 -7.706 -16.447 1.00 0.00 C ATOM 856 OD1 ASP A 54 -4.695 -7.655 -16.321 1.00 0.00 O ATOM 857 OD2 ASP A 54 -6.545 -8.744 -16.499 1.00 0.00 O ATOM 0 H ASP A 54 -4.676 -6.181 -14.412 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.978 -4.626 -15.354 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.724 -6.587 -16.752 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.289 -5.801 -17.380 1.00 0.00 H new ATOM 862 N ALA A 55 -8.575 -6.407 -14.234 1.00 0.00 N ATOM 863 CA ALA A 55 -9.412 -7.081 -13.238 1.00 0.00 C ATOM 864 C ALA A 55 -8.952 -8.520 -12.973 1.00 0.00 C ATOM 865 O ALA A 55 -9.260 -9.091 -11.929 1.00 0.00 O ATOM 866 CB ALA A 55 -10.868 -7.115 -13.710 1.00 0.00 C ATOM 0 H ALA A 55 -9.096 -5.985 -15.003 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.321 -6.513 -12.312 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.481 -7.618 -12.962 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.229 -6.096 -13.850 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.932 -7.655 -14.655 1.00 0.00 H new ATOM 872 N SER A 56 -8.226 -9.103 -13.924 1.00 0.00 N ATOM 873 CA SER A 56 -7.751 -10.477 -13.763 1.00 0.00 C ATOM 874 C SER A 56 -6.397 -10.511 -13.057 1.00 0.00 C ATOM 875 O SER A 56 -6.048 -11.498 -12.409 1.00 0.00 O ATOM 876 CB SER A 56 -7.619 -11.159 -15.124 1.00 0.00 C ATOM 877 OG SER A 56 -7.838 -12.555 -14.973 1.00 0.00 O ATOM 0 H SER A 56 -7.957 -8.656 -14.800 1.00 0.00 H new ATOM 0 HA SER A 56 -8.483 -11.009 -13.155 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.341 -10.740 -15.825 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.628 -10.978 -15.540 1.00 0.00 H new ATOM 0 HG SER A 56 -7.756 -12.995 -15.845 1.00 0.00 H new ATOM 883 N GLY A 57 -5.637 -9.427 -13.182 1.00 0.00 N ATOM 884 CA GLY A 57 -4.329 -9.353 -12.544 1.00 0.00 C ATOM 885 C GLY A 57 -3.212 -9.688 -13.527 1.00 0.00 C ATOM 886 O GLY A 57 -2.159 -10.194 -13.142 1.00 0.00 O ATOM 0 H GLY A 57 -5.901 -8.597 -13.713 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.174 -8.352 -12.142 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.294 -10.043 -11.701 1.00 0.00 H new ATOM 890 N GLU A 58 -3.452 -9.394 -14.801 1.00 0.00 N ATOM 891 CA GLU A 58 -2.455 -9.661 -15.833 1.00 0.00 C ATOM 892 C GLU A 58 -1.423 -8.540 -15.866 1.00 0.00 C ATOM 893 O GLU A 58 -1.717 -7.418 -16.277 1.00 0.00 O ATOM 894 CB GLU A 58 -3.119 -9.769 -17.208 1.00 0.00 C ATOM 895 CG GLU A 58 -2.305 -10.712 -18.096 1.00 0.00 C ATOM 896 CD GLU A 58 -2.789 -10.598 -19.537 1.00 0.00 C ATOM 897 OE1 GLU A 58 -3.982 -10.430 -19.730 1.00 0.00 O ATOM 898 OE2 GLU A 58 -1.959 -10.681 -20.429 1.00 0.00 O ATOM 0 H GLU A 58 -4.318 -8.976 -15.141 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.965 -10.605 -15.596 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.138 -10.141 -17.103 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.185 -8.784 -17.670 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.246 -10.461 -18.036 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.410 -11.739 -17.746 1.00 0.00 H new ATOM 905 N PHE A 59 -0.210 -8.853 -15.420 1.00 0.00 N ATOM 906 CA PHE A 59 0.862 -7.852 -15.398 1.00 0.00 C ATOM 907 C PHE A 59 1.271 -7.465 -16.815 1.00 0.00 C ATOM 908 O PHE A 59 1.583 -8.317 -17.647 1.00 0.00 O ATOM 909 CB PHE A 59 2.116 -8.345 -14.642 1.00 0.00 C ATOM 910 CG PHE A 59 2.381 -9.811 -14.917 1.00 0.00 C ATOM 911 CD1 PHE A 59 3.007 -10.207 -16.106 1.00 0.00 C ATOM 912 CD2 PHE A 59 1.998 -10.774 -13.976 1.00 0.00 C ATOM 913 CE1 PHE A 59 3.249 -11.564 -16.353 1.00 0.00 C ATOM 914 CE2 PHE A 59 2.238 -12.131 -14.223 1.00 0.00 C ATOM 915 CZ PHE A 59 2.864 -12.525 -15.412 1.00 0.00 C ATOM 0 H PHE A 59 0.057 -9.774 -15.074 1.00 0.00 H new ATOM 0 HA PHE A 59 0.458 -6.987 -14.872 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.981 -7.754 -14.943 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.982 -8.192 -13.571 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.303 -9.465 -16.833 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.517 -10.470 -13.058 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.733 -11.869 -17.269 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.941 -12.873 -13.497 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.050 -13.572 -15.603 1.00 0.00 H new ATOM 925 N GLN A 60 1.280 -6.161 -17.067 1.00 0.00 N ATOM 926 CA GLN A 60 1.671 -5.641 -18.373 1.00 0.00 C ATOM 927 C GLN A 60 2.902 -4.755 -18.204 1.00 0.00 C ATOM 928 O GLN A 60 2.835 -3.533 -18.322 1.00 0.00 O ATOM 929 CB GLN A 60 0.535 -4.827 -18.995 1.00 0.00 C ATOM 930 CG GLN A 60 -0.683 -5.729 -19.208 1.00 0.00 C ATOM 931 CD GLN A 60 -0.568 -6.425 -20.560 1.00 0.00 C ATOM 932 OE1 GLN A 60 -0.880 -5.839 -21.597 1.00 0.00 O ATOM 933 NE2 GLN A 60 -0.135 -7.656 -20.611 1.00 0.00 N ATOM 0 H GLN A 60 1.022 -5.446 -16.387 1.00 0.00 H new ATOM 0 HA GLN A 60 1.896 -6.477 -19.035 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.273 -3.992 -18.345 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.856 -4.402 -19.946 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.745 -6.469 -18.410 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.598 -5.138 -19.167 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.124 -8.142 -19.752 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.055 -8.132 -21.510 1.00 0.00 H new ATOM 942 N LEU A 61 4.025 -5.397 -17.901 1.00 0.00 N ATOM 943 CA LEU A 61 5.278 -4.678 -17.685 1.00 0.00 C ATOM 944 C LEU A 61 5.860 -4.167 -18.999 1.00 0.00 C ATOM 945 O LEU A 61 6.623 -3.202 -19.015 1.00 0.00 O ATOM 946 CB LEU A 61 6.308 -5.584 -16.991 1.00 0.00 C ATOM 947 CG LEU A 61 5.810 -6.437 -15.801 1.00 0.00 C ATOM 948 CD1 LEU A 61 4.652 -5.746 -15.065 1.00 0.00 C ATOM 949 CD2 LEU A 61 5.346 -7.802 -16.312 1.00 0.00 C ATOM 0 H LEU A 61 4.095 -6.410 -17.799 1.00 0.00 H new ATOM 0 HA LEU A 61 5.056 -3.823 -17.046 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.724 -6.258 -17.740 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.126 -4.957 -16.638 1.00 0.00 H new ATOM 0 HG LEU A 61 6.635 -6.559 -15.100 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.325 -6.371 -14.234 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.987 -4.781 -14.684 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.821 -5.595 -15.754 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.995 -8.404 -15.474 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.534 -7.666 -17.027 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.178 -8.310 -16.800 1.00 0.00 H new ATOM 961 N ASP A 62 5.495 -4.815 -20.104 1.00 0.00 N ATOM 962 CA ASP A 62 5.997 -4.397 -21.410 1.00 0.00 C ATOM 963 C ASP A 62 5.570 -2.960 -21.712 1.00 0.00 C ATOM 964 O ASP A 62 6.259 -2.230 -22.426 1.00 0.00 O ATOM 965 CB ASP A 62 5.467 -5.319 -22.509 1.00 0.00 C ATOM 966 CG ASP A 62 6.387 -5.245 -23.723 1.00 0.00 C ATOM 967 OD1 ASP A 62 7.426 -5.884 -23.694 1.00 0.00 O ATOM 968 OD2 ASP A 62 6.040 -4.552 -24.665 1.00 0.00 O ATOM 0 H ASP A 62 4.865 -5.617 -20.122 1.00 0.00 H new ATOM 0 HA ASP A 62 7.085 -4.454 -21.386 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.412 -6.344 -22.143 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.455 -5.025 -22.788 1.00 0.00 H new ATOM 973 N HIS A 63 4.427 -2.560 -21.155 1.00 0.00 N ATOM 974 CA HIS A 63 3.919 -1.208 -21.365 1.00 0.00 C ATOM 975 C HIS A 63 4.437 -0.272 -20.277 1.00 0.00 C ATOM 976 O HIS A 63 4.679 0.910 -20.517 1.00 0.00 O ATOM 977 CB HIS A 63 2.389 -1.201 -21.342 1.00 0.00 C ATOM 978 CG HIS A 63 1.865 -1.447 -22.730 1.00 0.00 C ATOM 979 ND1 HIS A 63 1.539 -2.716 -23.182 1.00 0.00 N ATOM 980 CD2 HIS A 63 1.602 -0.598 -23.776 1.00 0.00 C ATOM 981 CE1 HIS A 63 1.103 -2.596 -24.449 1.00 0.00 C ATOM 982 NE2 HIS A 63 1.120 -1.324 -24.861 1.00 0.00 N ATOM 0 H HIS A 63 3.842 -3.147 -20.561 1.00 0.00 H new ATOM 0 HA HIS A 63 4.268 -0.864 -22.339 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.021 -1.969 -20.662 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.025 -0.244 -20.969 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.747 0.472 -23.759 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.779 -3.426 -25.059 1.00 0.00 H new ATOM 0 HE2 HIS A 63 0.840 -0.964 -25.773 1.00 0.00 H new ATOM 990 N ILE A 64 4.606 -0.819 -19.075 1.00 0.00 N ATOM 991 CA ILE A 64 5.099 -0.030 -17.949 1.00 0.00 C ATOM 992 C ILE A 64 6.549 0.384 -18.189 1.00 0.00 C ATOM 993 O ILE A 64 6.888 1.566 -18.143 1.00 0.00 O ATOM 994 CB ILE A 64 5.013 -0.843 -16.649 1.00 0.00 C ATOM 995 CG1 ILE A 64 3.569 -1.302 -16.432 1.00 0.00 C ATOM 996 CG2 ILE A 64 5.445 0.013 -15.451 1.00 0.00 C ATOM 997 CD1 ILE A 64 3.551 -2.547 -15.539 1.00 0.00 C ATOM 0 H ILE A 64 4.411 -1.796 -18.857 1.00 0.00 H new ATOM 0 HA ILE A 64 4.478 0.861 -17.858 1.00 0.00 H new ATOM 0 HB ILE A 64 5.676 -1.704 -16.732 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.989 -0.503 -15.970 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.100 -1.523 -17.391 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.378 -0.579 -14.538 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.473 0.345 -15.593 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.791 0.881 -15.369 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.521 -2.871 -15.387 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.116 -3.347 -16.018 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.003 -2.310 -14.576 1.00 0.00 H new ATOM 1009 N LYS A 65 7.404 -0.608 -18.439 1.00 0.00 N ATOM 1010 CA LYS A 65 8.825 -0.345 -18.675 1.00 0.00 C ATOM 1011 C LYS A 65 9.026 0.713 -19.767 1.00 0.00 C ATOM 1012 O LYS A 65 9.828 1.633 -19.614 1.00 0.00 O ATOM 1013 CB LYS A 65 9.555 -1.642 -19.067 1.00 0.00 C ATOM 1014 CG LYS A 65 9.030 -2.176 -20.407 1.00 0.00 C ATOM 1015 CD LYS A 65 9.420 -3.650 -20.566 1.00 0.00 C ATOM 1016 CE LYS A 65 10.945 -3.783 -20.597 1.00 0.00 C ATOM 1017 NZ LYS A 65 11.374 -4.920 -21.461 1.00 0.00 N ATOM 0 H LYS A 65 7.141 -1.593 -18.483 1.00 0.00 H new ATOM 0 HA LYS A 65 9.246 0.039 -17.746 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.626 -1.455 -19.139 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.414 -2.393 -18.290 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.946 -2.070 -20.452 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.442 -1.590 -21.229 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.012 -4.235 -19.742 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.992 -4.052 -21.484 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.385 -2.857 -20.967 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.320 -3.932 -19.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.412 -4.984 -21.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.973 -5.806 -21.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.037 -4.764 -22.432 1.00 0.00 H new ATOM 1031 N THR A 66 8.285 0.571 -20.864 1.00 0.00 N ATOM 1032 CA THR A 66 8.389 1.516 -21.977 1.00 0.00 C ATOM 1033 C THR A 66 8.058 2.936 -21.523 1.00 0.00 C ATOM 1034 O THR A 66 8.715 3.896 -21.921 1.00 0.00 O ATOM 1035 CB THR A 66 7.427 1.121 -23.100 1.00 0.00 C ATOM 1036 OG1 THR A 66 7.520 -0.276 -23.333 1.00 0.00 O ATOM 1037 CG2 THR A 66 7.794 1.880 -24.378 1.00 0.00 C ATOM 0 H THR A 66 7.612 -0.182 -21.007 1.00 0.00 H new ATOM 0 HA THR A 66 9.416 1.487 -22.340 1.00 0.00 H new ATOM 0 HB THR A 66 6.407 1.373 -22.810 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.756 -0.728 -22.918 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.109 1.599 -25.178 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.721 2.953 -24.198 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.814 1.630 -24.669 1.00 0.00 H new ATOM 1045 N LYS A 67 7.026 3.057 -20.693 1.00 0.00 N ATOM 1046 CA LYS A 67 6.607 4.366 -20.197 1.00 0.00 C ATOM 1047 C LYS A 67 7.706 5.011 -19.360 1.00 0.00 C ATOM 1048 O LYS A 67 8.070 6.167 -19.573 1.00 0.00 O ATOM 1049 CB LYS A 67 5.343 4.235 -19.346 1.00 0.00 C ATOM 1050 CG LYS A 67 4.130 4.045 -20.260 1.00 0.00 C ATOM 1051 CD LYS A 67 3.500 5.405 -20.562 1.00 0.00 C ATOM 1052 CE LYS A 67 2.002 5.229 -20.814 1.00 0.00 C ATOM 1053 NZ LYS A 67 1.485 6.260 -21.759 1.00 0.00 N ATOM 0 H LYS A 67 6.469 2.274 -20.352 1.00 0.00 H new ATOM 0 HA LYS A 67 6.402 4.997 -21.062 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.436 3.388 -18.666 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.212 5.125 -18.731 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.433 3.559 -21.187 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.400 3.392 -19.782 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.661 6.086 -19.726 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.976 5.853 -21.434 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.814 4.235 -21.219 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.462 5.296 -19.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.466 6.114 -21.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.643 7.207 -21.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.984 6.179 -22.668 1.00 0.00 H new ATOM 1067 N PHE A 68 8.229 4.253 -18.402 1.00 0.00 N ATOM 1068 CA PHE A 68 9.286 4.767 -17.534 1.00 0.00 C ATOM 1069 C PHE A 68 10.571 5.010 -18.326 1.00 0.00 C ATOM 1070 O PHE A 68 11.410 5.819 -17.931 1.00 0.00 O ATOM 1071 CB PHE A 68 9.575 3.777 -16.400 1.00 0.00 C ATOM 1072 CG PHE A 68 8.776 4.159 -15.175 1.00 0.00 C ATOM 1073 CD1 PHE A 68 7.456 3.717 -15.034 1.00 0.00 C ATOM 1074 CD2 PHE A 68 9.359 4.956 -14.181 1.00 0.00 C ATOM 1075 CE1 PHE A 68 6.717 4.072 -13.898 1.00 0.00 C ATOM 1076 CE2 PHE A 68 8.619 5.310 -13.046 1.00 0.00 C ATOM 1077 CZ PHE A 68 7.299 4.868 -12.905 1.00 0.00 C ATOM 0 H PHE A 68 7.944 3.293 -18.207 1.00 0.00 H new ATOM 0 HA PHE A 68 8.942 5.712 -17.114 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.318 2.765 -16.713 1.00 0.00 H new ATOM 0 HB3 PHE A 68 10.640 3.777 -16.166 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.007 3.103 -15.800 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.378 5.297 -14.290 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.698 3.731 -13.789 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.067 5.924 -12.279 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.729 5.141 -12.029 1.00 0.00 H new ATOM 1087 N LYS A 69 10.726 4.300 -19.443 1.00 0.00 N ATOM 1088 CA LYS A 69 11.924 4.455 -20.266 1.00 0.00 C ATOM 1089 C LYS A 69 11.881 5.771 -21.042 1.00 0.00 C ATOM 1090 O LYS A 69 12.692 6.669 -20.815 1.00 0.00 O ATOM 1091 CB LYS A 69 12.056 3.285 -21.253 1.00 0.00 C ATOM 1092 CG LYS A 69 13.487 2.737 -21.218 1.00 0.00 C ATOM 1093 CD LYS A 69 13.467 1.233 -21.494 1.00 0.00 C ATOM 1094 CE LYS A 69 14.772 0.822 -22.178 1.00 0.00 C ATOM 1095 NZ LYS A 69 14.621 -0.466 -22.911 1.00 0.00 N ATOM 0 H LYS A 69 10.049 3.623 -19.794 1.00 0.00 H new ATOM 0 HA LYS A 69 12.787 4.462 -19.601 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.348 2.497 -20.994 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.808 3.618 -22.261 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.100 3.245 -21.962 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.938 2.933 -20.245 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.344 0.683 -20.561 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.617 0.980 -22.127 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.082 1.603 -22.872 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.561 0.727 -21.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.524 -0.716 -23.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.349 -1.216 -22.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.885 -0.367 -23.639 1.00 0.00 H new ATOM 1109 N GLU A 70 10.926 5.875 -21.968 1.00 0.00 N ATOM 1110 CA GLU A 70 10.783 7.086 -22.789 1.00 0.00 C ATOM 1111 C GLU A 70 10.756 8.348 -21.925 1.00 0.00 C ATOM 1112 O GLU A 70 9.821 8.575 -21.158 1.00 0.00 O ATOM 1113 CB GLU A 70 9.493 7.024 -23.614 1.00 0.00 C ATOM 1114 CG GLU A 70 8.298 6.721 -22.697 1.00 0.00 C ATOM 1115 CD GLU A 70 7.193 7.751 -22.926 1.00 0.00 C ATOM 1116 OE1 GLU A 70 7.411 8.906 -22.600 1.00 0.00 O ATOM 1117 OE2 GLU A 70 6.147 7.368 -23.423 1.00 0.00 O ATOM 0 H GLU A 70 10.244 5.144 -22.170 1.00 0.00 H new ATOM 0 HA GLU A 70 11.647 7.130 -23.452 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.335 7.971 -24.130 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.578 6.254 -24.381 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.920 5.718 -22.897 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.615 6.740 -21.654 1.00 0.00 H new ATOM 1124 N ASN A 71 11.798 9.165 -22.065 1.00 0.00 N ATOM 1125 CA ASN A 71 11.895 10.408 -21.299 1.00 0.00 C ATOM 1126 C ASN A 71 11.900 10.118 -19.801 1.00 0.00 C ATOM 1127 O ASN A 71 10.848 10.019 -19.170 1.00 0.00 O ATOM 1128 CB ASN A 71 10.717 11.330 -21.624 1.00 0.00 C ATOM 1129 CG ASN A 71 11.170 12.784 -21.544 1.00 0.00 C ATOM 1130 OD1 ASN A 71 11.760 13.204 -20.548 1.00 0.00 O ATOM 1131 ND2 ASN A 71 10.928 13.586 -22.544 1.00 0.00 N ATOM 0 H ASN A 71 12.581 8.992 -22.695 1.00 0.00 H new ATOM 0 HA ASN A 71 12.829 10.898 -21.575 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.335 11.112 -22.621 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.900 11.154 -20.924 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.227 14.560 -22.501 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.439 13.239 -23.369 1.00 0.00 H new ATOM 1138 N SER A 72 13.098 9.983 -19.238 1.00 0.00 N ATOM 1139 CA SER A 72 13.228 9.703 -17.811 1.00 0.00 C ATOM 1140 C SER A 72 14.640 10.024 -17.327 1.00 0.00 C ATOM 1141 O SER A 72 15.180 9.345 -16.453 1.00 0.00 O ATOM 1142 CB SER A 72 12.920 8.233 -17.527 1.00 0.00 C ATOM 1143 OG SER A 72 12.262 8.124 -16.272 1.00 0.00 O ATOM 0 H SER A 72 13.982 10.062 -19.740 1.00 0.00 H new ATOM 0 HA SER A 72 12.515 10.332 -17.278 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.291 7.822 -18.317 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.842 7.652 -17.519 1.00 0.00 H new ATOM 0 HG SER A 72 11.708 7.316 -16.262 1.00 0.00 H new ATOM 1149 N GLU A 73 15.231 11.071 -17.904 1.00 0.00 N ATOM 1150 CA GLU A 73 16.587 11.491 -17.532 1.00 0.00 C ATOM 1151 C GLU A 73 17.616 10.475 -18.023 1.00 0.00 C ATOM 1152 O GLU A 73 18.442 10.776 -18.885 1.00 0.00 O ATOM 1153 CB GLU A 73 16.722 11.647 -16.010 1.00 0.00 C ATOM 1154 CG GLU A 73 17.664 12.811 -15.694 1.00 0.00 C ATOM 1155 CD GLU A 73 17.205 13.506 -14.417 1.00 0.00 C ATOM 1156 OE1 GLU A 73 17.369 12.924 -13.357 1.00 0.00 O ATOM 1157 OE2 GLU A 73 16.696 14.610 -14.516 1.00 0.00 O ATOM 0 H GLU A 73 14.796 11.643 -18.628 1.00 0.00 H new ATOM 0 HA GLU A 73 16.771 12.456 -18.004 1.00 0.00 H new ATOM 0 HB2 GLU A 73 15.744 11.827 -15.565 1.00 0.00 H new ATOM 0 HB3 GLU A 73 17.107 10.726 -15.573 1.00 0.00 H new ATOM 0 HG2 GLU A 73 18.684 12.445 -15.575 1.00 0.00 H new ATOM 0 HG3 GLU A 73 17.674 13.519 -16.522 1.00 0.00 H new ATOM 1164 N HIS A 74 17.559 9.269 -17.465 1.00 0.00 N ATOM 1165 CA HIS A 74 18.490 8.214 -17.855 1.00 0.00 C ATOM 1166 C HIS A 74 17.801 6.845 -17.796 1.00 0.00 C ATOM 1167 O HIS A 74 18.038 6.058 -16.878 1.00 0.00 O ATOM 1168 CB HIS A 74 19.709 8.208 -16.927 1.00 0.00 C ATOM 1169 CG HIS A 74 20.648 9.313 -17.328 1.00 0.00 C ATOM 1170 ND1 HIS A 74 20.596 10.672 -17.142 1.00 0.00 N flip ATOM 1171 CD2 HIS A 74 21.826 9.069 -18.016 1.00 0.00 C flip ATOM 1172 CE1 HIS A 74 21.723 11.264 -17.705 1.00 0.00 C flip ATOM 1173 NE2 HIS A 74 22.430 10.254 -18.218 1.00 0.00 N flip ATOM 0 H HIS A 74 16.885 8.999 -16.748 1.00 0.00 H new ATOM 0 HA HIS A 74 18.816 8.409 -18.877 1.00 0.00 H new ATOM 0 HB2 HIS A 74 19.393 8.342 -15.892 1.00 0.00 H new ATOM 0 HB3 HIS A 74 20.218 7.246 -16.983 1.00 0.00 H new ATOM 0 HD2 HIS A 74 22.192 8.104 -18.332 1.00 0.00 H new ATOM 0 HE1 HIS A 74 21.972 12.315 -17.723 1.00 0.00 H new ATOM 0 HE2 HIS A 74 23.320 10.367 -18.704 1.00 0.00 H new ATOM 1181 N PRO A 75 16.935 6.548 -18.776 1.00 0.00 N ATOM 1182 CA PRO A 75 16.212 5.269 -18.826 1.00 0.00 C ATOM 1183 C PRO A 75 17.111 4.106 -19.238 1.00 0.00 C ATOM 1184 O PRO A 75 17.786 4.159 -20.266 1.00 0.00 O ATOM 1185 CB PRO A 75 15.129 5.501 -19.876 1.00 0.00 C ATOM 1186 CG PRO A 75 15.663 6.579 -20.756 1.00 0.00 C ATOM 1187 CD PRO A 75 16.581 7.417 -19.914 1.00 0.00 C ATOM 0 HA PRO A 75 15.819 4.993 -17.847 1.00 0.00 H new ATOM 0 HB2 PRO A 75 14.929 4.592 -20.443 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.189 5.800 -19.413 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.199 6.154 -21.605 1.00 0.00 H new ATOM 0 HG3 PRO A 75 14.852 7.184 -21.161 1.00 0.00 H new ATOM 0 HD2 PRO A 75 17.467 7.719 -20.473 1.00 0.00 H new ATOM 0 HD3 PRO A 75 16.089 8.330 -19.578 1.00 0.00 H new ATOM 1195 N GLU A 76 17.111 3.052 -18.423 1.00 0.00 N ATOM 1196 CA GLU A 76 17.930 1.874 -18.709 1.00 0.00 C ATOM 1197 C GLU A 76 17.789 0.837 -17.597 1.00 0.00 C ATOM 1198 O GLU A 76 17.777 -0.368 -17.850 1.00 0.00 O ATOM 1199 CB GLU A 76 19.408 2.257 -18.838 1.00 0.00 C ATOM 1200 CG GLU A 76 19.841 3.045 -17.600 1.00 0.00 C ATOM 1201 CD GLU A 76 21.137 3.790 -17.899 1.00 0.00 C ATOM 1202 OE1 GLU A 76 22.162 3.137 -18.006 1.00 0.00 O ATOM 1203 OE2 GLU A 76 21.087 5.004 -18.016 1.00 0.00 O ATOM 0 H GLU A 76 16.559 2.989 -17.568 1.00 0.00 H new ATOM 0 HA GLU A 76 17.579 1.452 -19.651 1.00 0.00 H new ATOM 0 HB2 GLU A 76 20.019 1.361 -18.944 1.00 0.00 H new ATOM 0 HB3 GLU A 76 19.563 2.856 -19.736 1.00 0.00 H new ATOM 0 HG2 GLU A 76 19.061 3.751 -17.314 1.00 0.00 H new ATOM 0 HG3 GLU A 76 19.984 2.369 -16.757 1.00 0.00 H new ATOM 1210 N LYS A 77 17.691 1.319 -16.361 1.00 0.00 N ATOM 1211 CA LYS A 77 17.562 0.424 -15.212 1.00 0.00 C ATOM 1212 C LYS A 77 16.100 0.064 -14.943 1.00 0.00 C ATOM 1213 O LYS A 77 15.812 -0.938 -14.292 1.00 0.00 O ATOM 1214 CB LYS A 77 18.145 1.081 -13.960 1.00 0.00 C ATOM 1215 CG LYS A 77 19.670 1.130 -14.070 1.00 0.00 C ATOM 1216 CD LYS A 77 20.284 1.136 -12.668 1.00 0.00 C ATOM 1217 CE LYS A 77 21.775 1.461 -12.766 1.00 0.00 C ATOM 1218 NZ LYS A 77 22.003 2.926 -12.918 1.00 0.00 N ATOM 0 H LYS A 77 17.698 2.312 -16.129 1.00 0.00 H new ATOM 0 HA LYS A 77 18.112 -0.487 -15.448 1.00 0.00 H new ATOM 0 HB2 LYS A 77 17.746 2.089 -13.846 1.00 0.00 H new ATOM 0 HB3 LYS A 77 17.852 0.520 -13.073 1.00 0.00 H new ATOM 0 HG2 LYS A 77 20.032 0.270 -14.633 1.00 0.00 H new ATOM 0 HG3 LYS A 77 19.977 2.022 -14.617 1.00 0.00 H new ATOM 0 HD2 LYS A 77 19.781 1.873 -12.042 1.00 0.00 H new ATOM 0 HD3 LYS A 77 20.143 0.165 -12.193 1.00 0.00 H new ATOM 0 HE2 LYS A 77 22.287 1.102 -11.873 1.00 0.00 H new ATOM 0 HE3 LYS A 77 22.209 0.934 -13.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 23.024 3.114 -12.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 21.534 3.262 -13.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 21.610 3.426 -12.095 1.00 0.00 H new ATOM 1232 N VAL A 78 15.175 0.890 -15.441 1.00 0.00 N ATOM 1233 CA VAL A 78 13.747 0.640 -15.231 1.00 0.00 C ATOM 1234 C VAL A 78 13.348 -0.741 -15.758 1.00 0.00 C ATOM 1235 O VAL A 78 12.752 -1.543 -15.038 1.00 0.00 O ATOM 1236 CB VAL A 78 12.903 1.712 -15.936 1.00 0.00 C ATOM 1237 CG1 VAL A 78 11.408 1.486 -15.651 1.00 0.00 C ATOM 1238 CG2 VAL A 78 13.312 3.097 -15.423 1.00 0.00 C ATOM 0 H VAL A 78 15.386 1.727 -15.985 1.00 0.00 H new ATOM 0 HA VAL A 78 13.560 0.678 -14.158 1.00 0.00 H new ATOM 0 HB VAL A 78 13.073 1.647 -17.011 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.821 2.253 -16.157 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.112 0.503 -16.017 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.230 1.542 -14.577 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.715 3.861 -15.921 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.145 3.150 -14.347 1.00 0.00 H new ATOM 0 HG23 VAL A 78 14.368 3.266 -15.635 1.00 0.00 H new ATOM 1248 N ASP A 79 13.674 -1.009 -17.023 1.00 0.00 N ATOM 1249 CA ASP A 79 13.334 -2.299 -17.640 1.00 0.00 C ATOM 1250 C ASP A 79 13.758 -3.470 -16.752 1.00 0.00 C ATOM 1251 O ASP A 79 12.981 -4.391 -16.504 1.00 0.00 O ATOM 1252 CB ASP A 79 14.004 -2.441 -19.013 1.00 0.00 C ATOM 1253 CG ASP A 79 15.483 -2.078 -18.914 1.00 0.00 C ATOM 1254 OD1 ASP A 79 16.253 -2.922 -18.485 1.00 0.00 O ATOM 1255 OD2 ASP A 79 15.823 -0.961 -19.269 1.00 0.00 O ATOM 0 H ASP A 79 14.167 -0.361 -17.637 1.00 0.00 H new ATOM 0 HA ASP A 79 12.251 -2.321 -17.761 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.896 -3.463 -19.375 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.510 -1.792 -19.736 1.00 0.00 H new ATOM 1260 N ASP A 80 14.996 -3.419 -16.271 1.00 0.00 N ATOM 1261 CA ASP A 80 15.510 -4.476 -15.405 1.00 0.00 C ATOM 1262 C ASP A 80 14.802 -4.452 -14.054 1.00 0.00 C ATOM 1263 O ASP A 80 14.495 -5.496 -13.478 1.00 0.00 O ATOM 1264 CB ASP A 80 17.013 -4.298 -15.181 1.00 0.00 C ATOM 1265 CG ASP A 80 17.782 -5.038 -16.269 1.00 0.00 C ATOM 1266 OD1 ASP A 80 17.880 -4.506 -17.363 1.00 0.00 O ATOM 1267 OD2 ASP A 80 18.262 -6.125 -15.994 1.00 0.00 O ATOM 0 H ASP A 80 15.657 -2.666 -16.463 1.00 0.00 H new ATOM 0 HA ASP A 80 15.324 -5.432 -15.895 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.270 -3.239 -15.196 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.293 -4.680 -14.199 1.00 0.00 H new ATOM 1272 N LEU A 81 14.553 -3.245 -13.550 1.00 0.00 N ATOM 1273 CA LEU A 81 13.890 -3.086 -12.258 1.00 0.00 C ATOM 1274 C LEU A 81 12.457 -3.615 -12.304 1.00 0.00 C ATOM 1275 O LEU A 81 12.017 -4.320 -11.398 1.00 0.00 O ATOM 1276 CB LEU A 81 13.877 -1.608 -11.842 1.00 0.00 C ATOM 1277 CG LEU A 81 14.607 -1.290 -10.535 1.00 0.00 C ATOM 1278 CD1 LEU A 81 16.110 -1.500 -10.724 1.00 0.00 C ATOM 1279 CD2 LEU A 81 14.342 0.166 -10.145 1.00 0.00 C ATOM 0 H LEU A 81 14.798 -2.369 -14.012 1.00 0.00 H new ATOM 0 HA LEU A 81 14.451 -3.665 -11.524 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.325 -1.019 -12.642 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.841 -1.283 -11.749 1.00 0.00 H new ATOM 0 HG LEU A 81 14.245 -1.951 -9.747 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.629 -1.273 -9.793 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.300 -2.536 -11.002 1.00 0.00 H new ATOM 0 HD13 LEU A 81 16.473 -0.840 -11.512 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.861 0.394 -9.214 1.00 0.00 H new ATOM 0 HD22 LEU A 81 14.704 0.826 -10.933 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.271 0.317 -10.009 1.00 0.00 H new ATOM 1291 N VAL A 82 11.731 -3.262 -13.364 1.00 0.00 N ATOM 1292 CA VAL A 82 10.340 -3.701 -13.508 1.00 0.00 C ATOM 1293 C VAL A 82 10.243 -5.226 -13.462 1.00 0.00 C ATOM 1294 O VAL A 82 9.261 -5.784 -12.975 1.00 0.00 O ATOM 1295 CB VAL A 82 9.752 -3.192 -14.830 1.00 0.00 C ATOM 1296 CG1 VAL A 82 8.269 -3.566 -14.923 1.00 0.00 C ATOM 1297 CG2 VAL A 82 9.891 -1.666 -14.897 1.00 0.00 C ATOM 0 H VAL A 82 12.076 -2.681 -14.128 1.00 0.00 H new ATOM 0 HA VAL A 82 9.771 -3.286 -12.676 1.00 0.00 H new ATOM 0 HB VAL A 82 10.292 -3.650 -15.658 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.860 -3.200 -15.865 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.164 -4.650 -14.878 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.727 -3.114 -14.092 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.473 -1.303 -15.836 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.354 -1.215 -14.063 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.945 -1.394 -14.840 1.00 0.00 H new ATOM 1307 N ALA A 83 11.273 -5.892 -13.972 1.00 0.00 N ATOM 1308 CA ALA A 83 11.291 -7.352 -13.980 1.00 0.00 C ATOM 1309 C ALA A 83 11.231 -7.896 -12.554 1.00 0.00 C ATOM 1310 O ALA A 83 10.284 -8.586 -12.175 1.00 0.00 O ATOM 1311 CB ALA A 83 12.564 -7.868 -14.655 1.00 0.00 C ATOM 0 H ALA A 83 12.097 -5.452 -14.381 1.00 0.00 H new ATOM 0 HA ALA A 83 10.419 -7.695 -14.537 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.561 -8.958 -14.652 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.602 -7.508 -15.683 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.437 -7.506 -14.111 1.00 0.00 H new ATOM 1317 N LYS A 84 12.262 -7.583 -11.774 1.00 0.00 N ATOM 1318 CA LYS A 84 12.340 -8.048 -10.390 1.00 0.00 C ATOM 1319 C LYS A 84 11.363 -7.298 -9.477 1.00 0.00 C ATOM 1320 O LYS A 84 11.050 -7.766 -8.382 1.00 0.00 O ATOM 1321 CB LYS A 84 13.762 -7.860 -9.852 1.00 0.00 C ATOM 1322 CG LYS A 84 14.124 -9.026 -8.929 1.00 0.00 C ATOM 1323 CD LYS A 84 15.619 -9.329 -9.051 1.00 0.00 C ATOM 1324 CE LYS A 84 15.852 -10.833 -8.895 1.00 0.00 C ATOM 1325 NZ LYS A 84 16.071 -11.204 -7.468 1.00 0.00 N ATOM 0 H LYS A 84 13.052 -7.012 -12.074 1.00 0.00 H new ATOM 0 HA LYS A 84 12.070 -9.104 -10.390 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.470 -7.806 -10.679 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.834 -6.918 -9.309 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.876 -8.777 -7.897 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.541 -9.908 -9.194 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.991 -8.992 -10.018 1.00 0.00 H new ATOM 0 HD3 LYS A 84 16.174 -8.784 -8.288 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.993 -11.378 -9.287 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.717 -11.132 -9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.226 -12.230 -7.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.905 -10.701 -7.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.235 -10.940 -6.908 1.00 0.00 H new ATOM 1339 N CYS A 85 10.892 -6.132 -9.919 1.00 0.00 N ATOM 1340 CA CYS A 85 9.965 -5.347 -9.103 1.00 0.00 C ATOM 1341 C CYS A 85 8.518 -5.762 -9.355 1.00 0.00 C ATOM 1342 O CYS A 85 7.736 -5.927 -8.419 1.00 0.00 O ATOM 1343 CB CYS A 85 10.106 -3.854 -9.403 1.00 0.00 C ATOM 1344 SG CYS A 85 11.662 -3.235 -8.712 1.00 0.00 S ATOM 0 H CYS A 85 11.131 -5.716 -10.819 1.00 0.00 H new ATOM 0 HA CYS A 85 10.217 -5.538 -8.060 1.00 0.00 H new ATOM 0 HB2 CYS A 85 10.083 -3.686 -10.480 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.265 -3.307 -8.977 1.00 0.00 H new ATOM 1349 N ALA A 86 8.166 -5.919 -10.629 1.00 0.00 N ATOM 1350 CA ALA A 86 6.802 -6.307 -10.995 1.00 0.00 C ATOM 1351 C ALA A 86 6.614 -7.830 -11.007 1.00 0.00 C ATOM 1352 O ALA A 86 5.838 -8.360 -11.803 1.00 0.00 O ATOM 1353 CB ALA A 86 6.448 -5.754 -12.377 1.00 0.00 C ATOM 0 H ALA A 86 8.797 -5.786 -11.419 1.00 0.00 H new ATOM 0 HA ALA A 86 6.140 -5.887 -10.237 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.432 -6.049 -12.638 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.517 -4.666 -12.362 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.142 -6.152 -13.117 1.00 0.00 H new ATOM 1359 N VAL A 87 7.319 -8.533 -10.120 1.00 0.00 N ATOM 1360 CA VAL A 87 7.200 -9.990 -10.051 1.00 0.00 C ATOM 1361 C VAL A 87 5.766 -10.397 -9.727 1.00 0.00 C ATOM 1362 O VAL A 87 5.095 -9.766 -8.910 1.00 0.00 O ATOM 1363 CB VAL A 87 8.134 -10.562 -8.977 1.00 0.00 C ATOM 1364 CG1 VAL A 87 9.584 -10.468 -9.458 1.00 0.00 C ATOM 1365 CG2 VAL A 87 7.980 -9.769 -7.675 1.00 0.00 C ATOM 0 H VAL A 87 7.969 -8.125 -9.448 1.00 0.00 H new ATOM 0 HA VAL A 87 7.481 -10.391 -11.025 1.00 0.00 H new ATOM 0 HB VAL A 87 7.873 -11.605 -8.797 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.248 -10.874 -8.695 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.699 -11.038 -10.380 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.839 -9.424 -9.642 1.00 0.00 H new ATOM 0 HG21 VAL A 87 8.646 -10.181 -6.917 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.235 -8.724 -7.853 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.949 -9.837 -7.327 1.00 0.00 H new ATOM 1375 N LYS A 88 5.302 -11.459 -10.381 1.00 0.00 N ATOM 1376 CA LYS A 88 3.940 -11.946 -10.158 1.00 0.00 C ATOM 1377 C LYS A 88 3.786 -12.467 -8.732 1.00 0.00 C ATOM 1378 O LYS A 88 4.498 -13.374 -8.303 1.00 0.00 O ATOM 1379 CB LYS A 88 3.592 -13.072 -11.140 1.00 0.00 C ATOM 1380 CG LYS A 88 4.714 -14.118 -11.160 1.00 0.00 C ATOM 1381 CD LYS A 88 4.111 -15.526 -11.169 1.00 0.00 C ATOM 1382 CE LYS A 88 3.389 -15.768 -12.497 1.00 0.00 C ATOM 1383 NZ LYS A 88 1.923 -15.528 -12.371 1.00 0.00 N ATOM 0 H LYS A 88 5.840 -11.995 -11.062 1.00 0.00 H new ATOM 0 HA LYS A 88 3.260 -11.109 -10.318 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.652 -13.541 -10.850 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.448 -12.662 -12.140 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.341 -13.975 -12.040 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.356 -13.993 -10.288 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.896 -16.269 -11.030 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.414 -15.639 -10.339 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.802 -15.111 -13.262 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.565 -16.792 -12.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.417 -16.090 -13.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.606 -15.808 -11.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.723 -14.518 -12.519 1.00 0.00 H new ATOM 1397 N LYS A 89 2.843 -11.877 -8.001 1.00 0.00 N ATOM 1398 CA LYS A 89 2.595 -12.282 -6.620 1.00 0.00 C ATOM 1399 C LYS A 89 1.367 -13.187 -6.541 1.00 0.00 C ATOM 1400 O LYS A 89 0.786 -13.558 -7.561 1.00 0.00 O ATOM 1401 CB LYS A 89 2.368 -11.049 -5.740 1.00 0.00 C ATOM 1402 CG LYS A 89 3.641 -10.202 -5.713 1.00 0.00 C ATOM 1403 CD LYS A 89 4.719 -10.929 -4.906 1.00 0.00 C ATOM 1404 CE LYS A 89 5.967 -10.050 -4.813 1.00 0.00 C ATOM 1405 NZ LYS A 89 7.039 -10.710 -4.015 1.00 0.00 N ATOM 0 H LYS A 89 2.243 -11.124 -8.338 1.00 0.00 H new ATOM 0 HA LYS A 89 3.468 -12.829 -6.264 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.535 -10.461 -6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.100 -11.355 -4.729 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.992 -10.021 -6.729 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.434 -9.228 -5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.348 -11.158 -3.907 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.965 -11.879 -5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.338 -9.835 -5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.708 -9.095 -4.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.872 -10.088 -3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.692 -10.893 -3.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 7.302 -11.610 -4.465 1.00 0.00 H new ATOM 1419 N ASP A 90 0.980 -13.538 -5.316 1.00 0.00 N ATOM 1420 CA ASP A 90 -0.181 -14.400 -5.109 1.00 0.00 C ATOM 1421 C ASP A 90 -1.461 -13.710 -5.576 1.00 0.00 C ATOM 1422 O ASP A 90 -2.441 -14.366 -5.930 1.00 0.00 O ATOM 1423 CB ASP A 90 -0.321 -14.760 -3.629 1.00 0.00 C ATOM 1424 CG ASP A 90 -0.355 -13.483 -2.797 1.00 0.00 C ATOM 1425 OD1 ASP A 90 0.706 -12.940 -2.537 1.00 0.00 O ATOM 1426 OD2 ASP A 90 -1.442 -13.067 -2.431 1.00 0.00 O ATOM 0 H ASP A 90 1.448 -13.242 -4.460 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.029 -15.307 -5.694 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.232 -15.336 -3.468 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.513 -15.389 -3.316 1.00 0.00 H new ATOM 1431 N THR A 91 -1.448 -12.377 -5.574 1.00 0.00 N ATOM 1432 CA THR A 91 -2.616 -11.614 -6.002 1.00 0.00 C ATOM 1433 C THR A 91 -2.178 -10.328 -6.705 1.00 0.00 C ATOM 1434 O THR A 91 -1.063 -9.849 -6.496 1.00 0.00 O ATOM 1435 CB THR A 91 -3.492 -11.255 -4.799 1.00 0.00 C ATOM 1436 OG1 THR A 91 -2.678 -11.141 -3.641 1.00 0.00 O ATOM 1437 CG2 THR A 91 -4.540 -12.349 -4.584 1.00 0.00 C ATOM 0 H THR A 91 -0.651 -11.810 -5.284 1.00 0.00 H new ATOM 0 HA THR A 91 -3.190 -12.231 -6.694 1.00 0.00 H new ATOM 0 HB THR A 91 -3.995 -10.306 -4.985 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.453 -12.036 -3.310 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.163 -12.093 -3.727 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.164 -12.435 -5.474 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.041 -13.300 -4.398 1.00 0.00 H new ATOM 1445 N PRO A 92 -3.046 -9.753 -7.547 1.00 0.00 N ATOM 1446 CA PRO A 92 -2.727 -8.518 -8.277 1.00 0.00 C ATOM 1447 C PRO A 92 -2.684 -7.295 -7.367 1.00 0.00 C ATOM 1448 O PRO A 92 -1.713 -6.538 -7.369 1.00 0.00 O ATOM 1449 CB PRO A 92 -3.854 -8.390 -9.298 1.00 0.00 C ATOM 1450 CG PRO A 92 -4.996 -9.146 -8.712 1.00 0.00 C ATOM 1451 CD PRO A 92 -4.402 -10.237 -7.868 1.00 0.00 C ATOM 0 HA PRO A 92 -1.737 -8.567 -8.730 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.117 -7.346 -9.466 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.561 -8.804 -10.263 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.626 -8.491 -8.111 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.627 -9.563 -9.496 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.988 -10.405 -6.965 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.369 -11.184 -8.407 1.00 0.00 H new ATOM 1459 N GLN A 93 -3.744 -7.108 -6.581 1.00 0.00 N ATOM 1460 CA GLN A 93 -3.808 -5.968 -5.665 1.00 0.00 C ATOM 1461 C GLN A 93 -2.611 -5.968 -4.709 1.00 0.00 C ATOM 1462 O GLN A 93 -2.223 -4.926 -4.184 1.00 0.00 O ATOM 1463 CB GLN A 93 -5.108 -5.994 -4.853 1.00 0.00 C ATOM 1464 CG GLN A 93 -5.206 -7.300 -4.058 1.00 0.00 C ATOM 1465 CD GLN A 93 -6.106 -8.289 -4.795 1.00 0.00 C ATOM 1466 OE1 GLN A 93 -6.320 -8.166 -6.001 1.00 0.00 O ATOM 1467 NE2 GLN A 93 -6.652 -9.272 -4.133 1.00 0.00 N ATOM 0 H GLN A 93 -4.559 -7.721 -6.559 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.782 -5.060 -6.267 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.139 -5.142 -4.173 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.965 -5.900 -5.520 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.213 -7.729 -3.923 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -5.606 -7.102 -3.064 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.475 -9.374 -3.134 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.256 -9.938 -4.615 1.00 0.00 H new ATOM 1476 N HIS A 94 -2.026 -7.148 -4.498 1.00 0.00 N ATOM 1477 CA HIS A 94 -0.869 -7.265 -3.617 1.00 0.00 C ATOM 1478 C HIS A 94 0.373 -6.727 -4.317 1.00 0.00 C ATOM 1479 O HIS A 94 0.988 -5.758 -3.870 1.00 0.00 O ATOM 1480 CB HIS A 94 -0.631 -8.728 -3.236 1.00 0.00 C ATOM 1481 CG HIS A 94 0.092 -8.794 -1.920 1.00 0.00 C ATOM 1482 ND1 HIS A 94 -0.178 -9.773 -0.976 1.00 0.00 N ATOM 1483 CD2 HIS A 94 1.080 -8.012 -1.374 1.00 0.00 C ATOM 1484 CE1 HIS A 94 0.632 -9.557 0.076 1.00 0.00 C ATOM 1485 NE2 HIS A 94 1.419 -8.495 -0.114 1.00 0.00 N ATOM 0 H HIS A 94 -2.331 -8.025 -4.920 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.066 -6.686 -2.715 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.582 -9.256 -3.167 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.046 -9.225 -4.009 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -0.866 -10.521 -1.063 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.526 -7.152 -1.851 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.644 -10.168 0.966 1.00 0.00 H new ATOM 1493 N SER A 95 0.730 -7.367 -5.434 1.00 0.00 N ATOM 1494 CA SER A 95 1.901 -6.959 -6.219 1.00 0.00 C ATOM 1495 C SER A 95 1.910 -5.449 -6.462 1.00 0.00 C ATOM 1496 O SER A 95 2.968 -4.834 -6.595 1.00 0.00 O ATOM 1497 CB SER A 95 1.901 -7.670 -7.573 1.00 0.00 C ATOM 1498 OG SER A 95 0.804 -7.203 -8.347 1.00 0.00 O ATOM 0 H SER A 95 0.227 -8.168 -5.815 1.00 0.00 H new ATOM 0 HA SER A 95 2.788 -7.233 -5.648 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.838 -7.480 -8.097 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.828 -8.748 -7.431 1.00 0.00 H new ATOM 0 HG SER A 95 0.045 -7.013 -7.757 1.00 0.00 H new ATOM 1504 N SER A 96 0.715 -4.861 -6.518 1.00 0.00 N ATOM 1505 CA SER A 96 0.585 -3.422 -6.747 1.00 0.00 C ATOM 1506 C SER A 96 1.362 -2.628 -5.698 1.00 0.00 C ATOM 1507 O SER A 96 1.993 -1.617 -6.007 1.00 0.00 O ATOM 1508 CB SER A 96 -0.887 -3.008 -6.700 1.00 0.00 C ATOM 1509 OG SER A 96 -1.429 -3.059 -8.013 1.00 0.00 O ATOM 0 H SER A 96 -0.171 -5.355 -6.409 1.00 0.00 H new ATOM 0 HA SER A 96 0.996 -3.204 -7.733 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.443 -3.672 -6.038 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.981 -2.001 -6.294 1.00 0.00 H new ATOM 0 HG SER A 96 -1.934 -3.891 -8.126 1.00 0.00 H new ATOM 1515 N ALA A 97 1.317 -3.099 -4.453 1.00 0.00 N ATOM 1516 CA ALA A 97 2.027 -2.425 -3.365 1.00 0.00 C ATOM 1517 C ALA A 97 3.521 -2.355 -3.668 1.00 0.00 C ATOM 1518 O ALA A 97 4.081 -1.276 -3.857 1.00 0.00 O ATOM 1519 CB ALA A 97 1.820 -3.166 -2.043 1.00 0.00 C ATOM 0 H ALA A 97 0.803 -3.935 -4.173 1.00 0.00 H new ATOM 0 HA ALA A 97 1.625 -1.416 -3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.356 -2.648 -1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.757 -3.195 -1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.199 -4.184 -2.133 1.00 0.00 H new ATOM 1525 N ASP A 98 4.160 -3.523 -3.726 1.00 0.00 N ATOM 1526 CA ASP A 98 5.590 -3.586 -4.021 1.00 0.00 C ATOM 1527 C ASP A 98 5.873 -2.978 -5.392 1.00 0.00 C ATOM 1528 O ASP A 98 6.919 -2.366 -5.614 1.00 0.00 O ATOM 1529 CB ASP A 98 6.077 -5.037 -4.008 1.00 0.00 C ATOM 1530 CG ASP A 98 5.748 -5.672 -2.661 1.00 0.00 C ATOM 1531 OD1 ASP A 98 4.613 -6.080 -2.481 1.00 0.00 O ATOM 1532 OD2 ASP A 98 6.637 -5.740 -1.828 1.00 0.00 O ATOM 0 H ASP A 98 3.716 -4.429 -3.574 1.00 0.00 H new ATOM 0 HA ASP A 98 6.120 -3.021 -3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.602 -5.598 -4.812 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.152 -5.073 -4.186 1.00 0.00 H new ATOM 1537 N PHE A 99 4.921 -3.150 -6.304 1.00 0.00 N ATOM 1538 CA PHE A 99 5.059 -2.611 -7.653 1.00 0.00 C ATOM 1539 C PHE A 99 5.114 -1.085 -7.605 1.00 0.00 C ATOM 1540 O PHE A 99 5.782 -0.447 -8.419 1.00 0.00 O ATOM 1541 CB PHE A 99 3.874 -3.062 -8.522 1.00 0.00 C ATOM 1542 CG PHE A 99 4.024 -2.552 -9.940 1.00 0.00 C ATOM 1543 CD1 PHE A 99 5.241 -2.695 -10.621 1.00 0.00 C ATOM 1544 CD2 PHE A 99 2.937 -1.939 -10.573 1.00 0.00 C ATOM 1545 CE1 PHE A 99 5.367 -2.223 -11.934 1.00 0.00 C ATOM 1546 CE2 PHE A 99 3.064 -1.469 -11.884 1.00 0.00 C ATOM 1547 CZ PHE A 99 4.279 -1.611 -12.565 1.00 0.00 C ATOM 0 H PHE A 99 4.051 -3.655 -6.135 1.00 0.00 H new ATOM 0 HA PHE A 99 5.985 -2.986 -8.089 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.814 -4.150 -8.526 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.942 -2.693 -8.094 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.081 -3.169 -10.134 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.999 -1.829 -10.049 1.00 0.00 H new ATOM 0 HE1 PHE A 99 6.304 -2.332 -12.459 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.224 -0.996 -12.371 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.376 -1.248 -13.578 1.00 0.00 H new ATOM 1557 N PHE A 100 4.407 -0.508 -6.636 1.00 0.00 N ATOM 1558 CA PHE A 100 4.384 0.945 -6.484 1.00 0.00 C ATOM 1559 C PHE A 100 5.322 1.374 -5.360 1.00 0.00 C ATOM 1560 O PHE A 100 5.070 2.356 -4.660 1.00 0.00 O ATOM 1561 CB PHE A 100 2.968 1.429 -6.168 1.00 0.00 C ATOM 1562 CG PHE A 100 2.769 2.813 -6.738 1.00 0.00 C ATOM 1563 CD1 PHE A 100 2.695 2.994 -8.125 1.00 0.00 C ATOM 1564 CD2 PHE A 100 2.657 3.915 -5.881 1.00 0.00 C ATOM 1565 CE1 PHE A 100 2.510 4.277 -8.654 1.00 0.00 C ATOM 1566 CE2 PHE A 100 2.471 5.198 -6.411 1.00 0.00 C ATOM 1567 CZ PHE A 100 2.398 5.379 -7.798 1.00 0.00 C ATOM 0 H PHE A 100 3.848 -1.017 -5.951 1.00 0.00 H new ATOM 0 HA PHE A 100 4.714 1.389 -7.423 1.00 0.00 H new ATOM 0 HB2 PHE A 100 2.235 0.742 -6.590 1.00 0.00 H new ATOM 0 HB3 PHE A 100 2.809 1.442 -5.090 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.781 2.144 -8.786 1.00 0.00 H new ATOM 0 HD2 PHE A 100 2.714 3.775 -4.812 1.00 0.00 H new ATOM 0 HE1 PHE A 100 2.454 4.417 -9.723 1.00 0.00 H new ATOM 0 HE2 PHE A 100 2.384 6.048 -5.750 1.00 0.00 H new ATOM 0 HZ PHE A 100 2.255 6.368 -8.207 1.00 0.00 H new ATOM 1577 N LYS A 101 6.409 0.625 -5.198 1.00 0.00 N ATOM 1578 CA LYS A 101 7.390 0.927 -4.159 1.00 0.00 C ATOM 1579 C LYS A 101 8.780 0.505 -4.620 1.00 0.00 C ATOM 1580 O LYS A 101 9.742 1.269 -4.532 1.00 0.00 O ATOM 1581 CB LYS A 101 7.050 0.183 -2.865 1.00 0.00 C ATOM 1582 CG LYS A 101 5.826 0.825 -2.210 1.00 0.00 C ATOM 1583 CD LYS A 101 5.914 0.660 -0.692 1.00 0.00 C ATOM 1584 CE LYS A 101 4.601 1.113 -0.051 1.00 0.00 C ATOM 1585 NZ LYS A 101 3.662 -0.030 0.131 1.00 0.00 N ATOM 0 H LYS A 101 6.633 -0.190 -5.769 1.00 0.00 H new ATOM 0 HA LYS A 101 7.370 2.001 -3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.852 -0.867 -3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.899 0.214 -2.182 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.774 1.883 -2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.914 0.360 -2.585 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.113 -0.382 -0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.744 1.247 -0.299 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.806 1.575 0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.133 1.874 -0.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.725 0.228 -0.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.021 -0.860 -0.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.584 -0.257 1.143 1.00 0.00 H new ATOM 1599 N CYS A 102 8.869 -0.729 -5.119 1.00 0.00 N ATOM 1600 CA CYS A 102 10.137 -1.282 -5.608 1.00 0.00 C ATOM 1601 C CYS A 102 10.847 -0.305 -6.549 1.00 0.00 C ATOM 1602 O CYS A 102 12.056 -0.096 -6.454 1.00 0.00 O ATOM 1603 CB CYS A 102 9.874 -2.588 -6.359 1.00 0.00 C ATOM 1604 SG CYS A 102 11.442 -3.421 -6.712 1.00 0.00 S ATOM 0 H CYS A 102 8.077 -1.367 -5.196 1.00 0.00 H new ATOM 0 HA CYS A 102 10.777 -1.462 -4.744 1.00 0.00 H new ATOM 0 HB2 CYS A 102 9.233 -3.238 -5.763 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.344 -2.383 -7.289 1.00 0.00 H new ATOM 1609 N VAL A 103 10.077 0.287 -7.458 1.00 0.00 N ATOM 1610 CA VAL A 103 10.635 1.239 -8.417 1.00 0.00 C ATOM 1611 C VAL A 103 11.110 2.514 -7.718 1.00 0.00 C ATOM 1612 O VAL A 103 11.936 3.253 -8.255 1.00 0.00 O ATOM 1613 CB VAL A 103 9.590 1.609 -9.471 1.00 0.00 C ATOM 1614 CG1 VAL A 103 9.228 0.369 -10.289 1.00 0.00 C ATOM 1615 CG2 VAL A 103 8.334 2.145 -8.779 1.00 0.00 C ATOM 0 H VAL A 103 9.074 0.127 -7.552 1.00 0.00 H new ATOM 0 HA VAL A 103 11.488 0.759 -8.896 1.00 0.00 H new ATOM 0 HB VAL A 103 9.997 2.375 -10.131 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.483 0.633 -11.040 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.121 -0.015 -10.783 1.00 0.00 H new ATOM 0 HG13 VAL A 103 8.821 -0.397 -9.628 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.589 2.409 -9.530 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.928 1.379 -8.118 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.590 3.029 -8.195 1.00 0.00 H new ATOM 1625 N HIS A 104 10.582 2.774 -6.521 1.00 0.00 N ATOM 1626 CA HIS A 104 10.968 3.971 -5.777 1.00 0.00 C ATOM 1627 C HIS A 104 12.259 3.730 -5.001 1.00 0.00 C ATOM 1628 O HIS A 104 13.247 4.444 -5.177 1.00 0.00 O ATOM 1629 CB HIS A 104 9.864 4.372 -4.799 1.00 0.00 C ATOM 1630 CG HIS A 104 8.832 5.194 -5.522 1.00 0.00 C ATOM 1631 ND1 HIS A 104 7.755 4.618 -6.179 1.00 0.00 N ATOM 1632 CD2 HIS A 104 8.697 6.549 -5.698 1.00 0.00 C ATOM 1633 CE1 HIS A 104 7.027 5.615 -6.715 1.00 0.00 C ATOM 1634 NE2 HIS A 104 7.557 6.812 -6.452 1.00 0.00 N ATOM 0 H HIS A 104 9.897 2.181 -6.053 1.00 0.00 H new ATOM 0 HA HIS A 104 11.126 4.775 -6.496 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.402 3.483 -4.370 1.00 0.00 H new ATOM 0 HB3 HIS A 104 10.285 4.943 -3.971 1.00 0.00 H new ATOM 0 HD2 HIS A 104 9.373 7.297 -5.310 1.00 0.00 H new ATOM 0 HE1 HIS A 104 6.124 5.465 -7.288 1.00 0.00 H new ATOM 0 HE2 HIS A 104 7.203 7.724 -6.742 1.00 0.00 H new ATOM 1642 N ASP A 105 12.242 2.718 -4.137 1.00 0.00 N ATOM 1643 CA ASP A 105 13.421 2.396 -3.337 1.00 0.00 C ATOM 1644 C ASP A 105 14.484 1.724 -4.202 1.00 0.00 C ATOM 1645 O ASP A 105 14.353 0.562 -4.587 1.00 0.00 O ATOM 1646 CB ASP A 105 13.052 1.472 -2.167 1.00 0.00 C ATOM 1647 CG ASP A 105 12.431 0.174 -2.687 1.00 0.00 C ATOM 1648 OD1 ASP A 105 11.848 0.200 -3.758 1.00 0.00 O ATOM 1649 OD2 ASP A 105 12.548 -0.827 -2.001 1.00 0.00 O ATOM 0 H ASP A 105 11.436 2.114 -3.974 1.00 0.00 H new ATOM 0 HA ASP A 105 13.819 3.328 -2.937 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.942 1.247 -1.579 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.351 1.978 -1.503 1.00 0.00 H new ATOM 1654 N ASN A 106 15.542 2.472 -4.504 1.00 0.00 N ATOM 1655 CA ASN A 106 16.626 1.942 -5.326 1.00 0.00 C ATOM 1656 C ASN A 106 17.951 2.587 -4.936 1.00 0.00 C ATOM 1657 O ASN A 106 18.017 3.398 -4.013 1.00 0.00 O ATOM 1658 CB ASN A 106 16.354 2.210 -6.809 1.00 0.00 C ATOM 1659 CG ASN A 106 16.118 3.702 -7.025 1.00 0.00 C ATOM 1660 OD1 ASN A 106 17.066 4.485 -7.075 1.00 0.00 O ATOM 1661 ND2 ASN A 106 14.898 4.144 -7.155 1.00 0.00 N ATOM 0 H ASN A 106 15.672 3.436 -4.196 1.00 0.00 H new ATOM 0 HA ASN A 106 16.683 0.866 -5.159 1.00 0.00 H new ATOM 0 HB2 ASN A 106 17.199 1.874 -7.410 1.00 0.00 H new ATOM 0 HB3 ASN A 106 15.483 1.643 -7.138 1.00 0.00 H new ATOM 0 HD21 ASN A 106 14.729 5.140 -7.298 1.00 0.00 H new ATOM 0 HD22 ASN A 106 14.113 3.494 -7.113 1.00 0.00 H new ATOM 1668 N ARG A 107 19.009 2.217 -5.653 1.00 0.00 N ATOM 1669 CA ARG A 107 20.334 2.765 -5.377 1.00 0.00 C ATOM 1670 C ARG A 107 20.750 3.733 -6.480 1.00 0.00 C ATOM 1671 O ARG A 107 20.187 3.729 -7.574 1.00 0.00 O ATOM 1672 CB ARG A 107 21.368 1.642 -5.283 1.00 0.00 C ATOM 1673 CG ARG A 107 21.193 0.896 -3.958 1.00 0.00 C ATOM 1674 CD ARG A 107 22.176 -0.273 -3.898 1.00 0.00 C ATOM 1675 NE ARG A 107 21.888 -1.131 -2.751 1.00 0.00 N ATOM 1676 CZ ARG A 107 22.833 -1.904 -2.220 1.00 0.00 C ATOM 1677 NH1 ARG A 107 23.674 -2.531 -2.995 1.00 0.00 N ATOM 1678 NH2 ARG A 107 22.917 -2.034 -0.925 1.00 0.00 N ATOM 0 H ARG A 107 18.976 1.547 -6.422 1.00 0.00 H new ATOM 0 HA ARG A 107 20.288 3.296 -4.426 1.00 0.00 H new ATOM 0 HB2 ARG A 107 21.249 0.953 -6.119 1.00 0.00 H new ATOM 0 HB3 ARG A 107 22.375 2.054 -5.350 1.00 0.00 H new ATOM 0 HG2 ARG A 107 21.365 1.573 -3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 107 20.170 0.530 -3.867 1.00 0.00 H new ATOM 0 HD2 ARG A 107 22.114 -0.854 -4.818 1.00 0.00 H new ATOM 0 HD3 ARG A 107 23.196 0.106 -3.828 1.00 0.00 H new ATOM 0 HE ARG A 107 20.950 -1.138 -2.351 1.00 0.00 H new ATOM 0 HH11 ARG A 107 23.608 -2.429 -4.008 1.00 0.00 H new ATOM 0 HH12 ARG A 107 24.398 -3.123 -2.588 1.00 0.00 H new ATOM 0 HH21 ARG A 107 22.259 -1.544 -0.319 1.00 0.00 H new ATOM 0 HH22 ARG A 107 23.641 -2.626 -0.518 1.00 0.00 H new ATOM 1692 N SER A 108 21.745 4.563 -6.178 1.00 0.00 N ATOM 1693 CA SER A 108 22.238 5.537 -7.150 1.00 0.00 C ATOM 1694 C SER A 108 21.125 6.500 -7.557 1.00 0.00 C ATOM 1695 O SER A 108 21.289 7.174 -8.561 1.00 0.00 O ATOM 1696 CB SER A 108 22.767 4.831 -8.399 1.00 0.00 C ATOM 1697 OG SER A 108 23.266 5.801 -9.311 1.00 0.00 O ATOM 1698 OXT SER A 108 20.126 6.547 -6.859 1.00 0.00 O ATOM 0 H SER A 108 22.223 4.582 -5.277 1.00 0.00 H new ATOM 0 HA SER A 108 23.047 6.096 -6.680 1.00 0.00 H new ATOM 0 HB2 SER A 108 23.556 4.130 -8.128 1.00 0.00 H new ATOM 0 HB3 SER A 108 21.972 4.250 -8.867 1.00 0.00 H new ATOM 0 HG SER A 108 22.569 6.465 -9.496 1.00 0.00 H new TER 1704 SER A 108