USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 580 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 1 MET CE :methyl -158:sc= -0.257 (180deg=-0.0587) USER MOD Set 1.2: B 1 MET CE :methyl -148:sc= -0.261 (180deg=-0.0042) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.119) USER MOD Single : A 5 LYS NZ :NH3+ 150:sc= 0.739 (180deg=0.25) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl -175:sc= -4.91! (180deg=-5.19!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 MET CE :methyl 176:sc= -1.29 (180deg=-1.72!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.079) USER MOD Single : A 16 TYR OH : rot 180:sc= -1.26 USER MOD Single : A 17 HIS :FLIP no HD1:sc= -0.0953 F(o=-0.64,f=-0.095) USER MOD Single : A 20 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.9!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -173:sc= -0.132 (180deg=-0.236) USER MOD Single : B 5 LYS NZ :NH3+ 159:sc= 0.001 (180deg=-0.0106) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ -154:sc= -5.23! (180deg=-6.36!) USER MOD Single : B 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 10 MET CE :methyl -177:sc= 0 (180deg=-0.0183) USER MOD Single : B 12 LYS NZ :NH3+ -126:sc= -0.141 (180deg=-0.865) USER MOD Single : B 15 ASN : amide:sc= 0.3 X(o=0.3,f=0) USER MOD Single : B 16 TYR OH : rot 30:sc= -0.363 USER MOD Single : B 17 HIS : no HD1:sc= -0.488 X(o=-0.49,f=-0.0029) USER MOD Single : B 20 ASN : amide:sc= -0.157 K(o=-0.16,f=-1.4!) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.488 -11.586 17.108 1.00 0.00 N ATOM 2 CA MET A 1 8.461 -11.500 16.033 1.00 0.00 C ATOM 3 C MET A 1 8.054 -12.450 14.905 1.00 0.00 C ATOM 4 O MET A 1 8.154 -12.053 13.735 1.00 0.00 O ATOM 5 CB MET A 1 9.853 -11.879 16.543 1.00 0.00 C ATOM 6 CG MET A 1 10.928 -10.990 15.915 1.00 0.00 C ATOM 7 SD MET A 1 12.514 -11.875 15.864 1.00 0.00 S ATOM 8 CE MET A 1 12.850 -12.024 17.644 1.00 0.00 C ATOM 0 H1 MET A 1 7.653 -10.816 17.788 1.00 0.00 H new ATOM 0 H2 MET A 1 6.529 -11.502 16.715 1.00 0.00 H new ATOM 0 H3 MET A 1 7.585 -12.502 17.592 1.00 0.00 H new ATOM 0 HA MET A 1 8.490 -10.476 15.662 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.885 -11.783 17.628 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.058 -12.924 16.309 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.630 -10.702 14.907 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.033 -10.071 16.491 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.918 -12.175 17.801 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.534 -11.113 18.152 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.300 -12.874 18.048 1.00 0.00 H new ATOM 18 N ASP A 2 7.611 -13.666 15.273 1.00 0.00 N ATOM 19 CA ASP A 2 7.194 -14.661 14.299 1.00 0.00 C ATOM 20 C ASP A 2 6.124 -14.057 13.387 1.00 0.00 C ATOM 21 O ASP A 2 6.066 -14.441 12.210 1.00 0.00 O ATOM 22 CB ASP A 2 6.593 -15.887 14.988 1.00 0.00 C ATOM 23 CG ASP A 2 7.590 -16.743 15.770 1.00 0.00 C ATOM 24 OD1 ASP A 2 8.183 -16.288 16.760 1.00 0.00 O ATOM 25 OD2 ASP A 2 7.753 -17.941 15.320 1.00 0.00 O ATOM 0 H ASP A 2 7.537 -13.973 16.243 1.00 0.00 H new ATOM 0 HA ASP A 2 8.071 -14.964 13.727 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.810 -15.555 15.669 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.115 -16.511 14.233 1.00 0.00 H new ATOM 30 N ALA A 3 5.309 -13.141 13.940 1.00 0.00 N ATOM 31 CA ALA A 3 4.252 -12.494 13.182 1.00 0.00 C ATOM 32 C ALA A 3 4.779 -11.180 12.599 1.00 0.00 C ATOM 33 O ALA A 3 4.112 -10.617 11.718 1.00 0.00 O ATOM 34 CB ALA A 3 3.103 -12.116 14.119 1.00 0.00 C ATOM 0 H ALA A 3 5.372 -12.839 14.912 1.00 0.00 H new ATOM 0 HA ALA A 3 3.919 -13.178 12.401 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.312 -11.631 13.547 1.00 0.00 H new ATOM 0 HB2 ALA A 3 2.709 -13.015 14.593 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.468 -11.432 14.885 1.00 0.00 H new ATOM 40 N ILE A 4 5.944 -10.727 13.093 1.00 0.00 N ATOM 41 CA ILE A 4 6.552 -9.493 12.625 1.00 0.00 C ATOM 42 C ILE A 4 7.127 -9.712 11.224 1.00 0.00 C ATOM 43 O ILE A 4 6.874 -8.876 10.344 1.00 0.00 O ATOM 44 CB ILE A 4 7.578 -8.982 13.638 1.00 0.00 C ATOM 45 CG1 ILE A 4 6.890 -8.464 14.902 1.00 0.00 C ATOM 46 CG2 ILE A 4 8.492 -7.929 13.010 1.00 0.00 C ATOM 47 CD1 ILE A 4 7.296 -7.018 15.194 1.00 0.00 C ATOM 0 H ILE A 4 6.477 -11.207 13.819 1.00 0.00 H new ATOM 0 HA ILE A 4 5.802 -8.707 12.543 1.00 0.00 H new ATOM 0 HB ILE A 4 8.209 -9.819 13.936 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.808 -8.525 14.782 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.153 -9.097 15.749 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.212 -7.583 13.752 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.024 -8.366 12.165 1.00 0.00 H new ATOM 0 HG23 ILE A 4 7.893 -7.086 12.665 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.793 -6.674 16.098 1.00 0.00 H new ATOM 0 HD12 ILE A 4 8.375 -6.965 15.337 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.010 -6.383 14.355 1.00 0.00 H new ATOM 59 N LYS A 5 7.877 -10.814 11.047 1.00 0.00 N ATOM 60 CA LYS A 5 8.481 -11.137 9.766 1.00 0.00 C ATOM 61 C LYS A 5 7.384 -11.264 8.707 1.00 0.00 C ATOM 62 O LYS A 5 7.649 -10.937 7.541 1.00 0.00 O ATOM 63 CB LYS A 5 9.364 -12.380 9.887 1.00 0.00 C ATOM 64 CG LYS A 5 10.131 -12.381 11.211 1.00 0.00 C ATOM 65 CD LYS A 5 9.734 -13.580 12.075 1.00 0.00 C ATOM 66 CE LYS A 5 10.358 -13.481 13.468 1.00 0.00 C ATOM 67 NZ LYS A 5 11.739 -13.991 13.453 1.00 0.00 N ATOM 0 H LYS A 5 8.073 -11.491 11.785 1.00 0.00 H new ATOM 0 HA LYS A 5 9.144 -10.333 9.445 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.748 -13.276 9.819 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.067 -12.413 9.055 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.203 -12.409 11.014 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.930 -11.456 11.752 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.648 -13.627 12.161 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.056 -14.503 11.593 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.351 -12.444 13.803 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.762 -14.050 14.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.301 -13.493 14.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.735 -15.010 13.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.158 -13.831 12.515 1.00 0.00 H new ATOM 81 N LYS A 6 6.193 -11.727 9.126 1.00 0.00 N ATOM 82 CA LYS A 6 5.069 -11.894 8.221 1.00 0.00 C ATOM 83 C LYS A 6 4.297 -10.576 8.125 1.00 0.00 C ATOM 84 O LYS A 6 3.739 -10.297 7.053 1.00 0.00 O ATOM 85 CB LYS A 6 4.206 -13.082 8.651 1.00 0.00 C ATOM 86 CG LYS A 6 4.934 -13.942 9.686 1.00 0.00 C ATOM 87 CD LYS A 6 4.342 -15.352 9.741 1.00 0.00 C ATOM 88 CE LYS A 6 5.330 -16.383 9.191 1.00 0.00 C ATOM 89 NZ LYS A 6 4.674 -17.691 9.029 1.00 0.00 N ATOM 0 H LYS A 6 5.995 -11.990 10.092 1.00 0.00 H new ATOM 0 HA LYS A 6 5.421 -12.132 7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.266 -12.721 9.069 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.956 -13.688 7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.994 -13.998 9.437 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.862 -13.475 10.668 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.085 -15.602 10.770 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.418 -15.385 9.164 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.721 -16.045 8.232 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.180 -16.477 9.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.359 -18.379 8.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.322 -18.019 9.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.877 -17.600 8.367 1.00 0.00 H new ATOM 103 N LYS A 7 4.280 -9.806 9.227 1.00 0.00 N ATOM 104 CA LYS A 7 3.582 -8.533 9.266 1.00 0.00 C ATOM 105 C LYS A 7 3.995 -7.693 8.055 1.00 0.00 C ATOM 106 O LYS A 7 3.111 -7.104 7.417 1.00 0.00 O ATOM 107 CB LYS A 7 3.817 -7.834 10.607 1.00 0.00 C ATOM 108 CG LYS A 7 3.104 -6.481 10.652 1.00 0.00 C ATOM 109 CD LYS A 7 1.679 -6.593 10.107 1.00 0.00 C ATOM 110 CE LYS A 7 0.756 -5.567 10.769 1.00 0.00 C ATOM 111 NZ LYS A 7 -0.140 -6.227 11.733 1.00 0.00 N ATOM 0 H LYS A 7 4.747 -10.054 10.099 1.00 0.00 H new ATOM 0 HA LYS A 7 2.505 -8.687 9.197 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.457 -8.466 11.419 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.886 -7.691 10.764 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.077 -6.114 11.678 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.664 -5.751 10.068 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.685 -6.439 9.028 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.297 -7.598 10.283 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.351 -4.808 11.277 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.167 -5.054 10.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.760 -5.517 12.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.720 -6.935 11.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.426 -6.696 12.468 1.00 0.00 H new ATOM 125 N MET A 8 5.309 -7.656 7.767 1.00 0.00 N ATOM 126 CA MET A 8 5.829 -6.896 6.644 1.00 0.00 C ATOM 127 C MET A 8 5.494 -7.625 5.341 1.00 0.00 C ATOM 128 O MET A 8 5.493 -6.975 4.285 1.00 0.00 O ATOM 129 CB MET A 8 7.346 -6.738 6.765 1.00 0.00 C ATOM 130 CG MET A 8 8.038 -8.102 6.806 1.00 0.00 C ATOM 131 SD MET A 8 9.808 -7.914 6.447 1.00 0.00 S ATOM 132 CE MET A 8 10.375 -7.196 8.017 1.00 0.00 C ATOM 0 H MET A 8 6.022 -8.149 8.305 1.00 0.00 H new ATOM 0 HA MET A 8 5.372 -5.907 6.643 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.723 -6.160 5.921 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.586 -6.177 7.668 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.904 -8.557 7.787 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.581 -8.773 6.079 1.00 0.00 H new ATOM 0 HE1 MET A 8 11.430 -6.934 7.937 1.00 0.00 H new ATOM 0 HE2 MET A 8 9.794 -6.300 8.238 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.241 -7.922 8.819 1.00 0.00 H new ATOM 142 N GLN A 9 5.221 -8.938 5.439 1.00 0.00 N ATOM 143 CA GLN A 9 4.888 -9.744 4.276 1.00 0.00 C ATOM 144 C GLN A 9 3.438 -9.471 3.870 1.00 0.00 C ATOM 145 O GLN A 9 3.128 -9.585 2.676 1.00 0.00 O ATOM 146 CB GLN A 9 5.113 -11.234 4.541 1.00 0.00 C ATOM 147 CG GLN A 9 6.596 -11.594 4.429 1.00 0.00 C ATOM 148 CD GLN A 9 6.775 -13.040 3.963 1.00 0.00 C ATOM 149 OE1 GLN A 9 6.517 -13.389 2.824 1.00 0.00 O ATOM 150 NE2 GLN A 9 7.230 -13.858 4.908 1.00 0.00 N ATOM 0 H GLN A 9 5.227 -9.454 6.319 1.00 0.00 H new ATOM 0 HA GLN A 9 5.550 -9.465 3.456 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.747 -11.489 5.536 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.537 -11.825 3.829 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.086 -10.919 3.727 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.081 -11.457 5.395 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.426 -13.499 5.842 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.383 -14.844 4.698 1.00 0.00 H new ATOM 159 N MET A 10 2.592 -9.124 4.857 1.00 0.00 N ATOM 160 CA MET A 10 1.190 -8.839 4.604 1.00 0.00 C ATOM 161 C MET A 10 1.051 -7.412 4.072 1.00 0.00 C ATOM 162 O MET A 10 0.181 -7.183 3.219 1.00 0.00 O ATOM 163 CB MET A 10 0.376 -8.986 5.891 1.00 0.00 C ATOM 164 CG MET A 10 1.199 -9.668 6.986 1.00 0.00 C ATOM 165 SD MET A 10 0.163 -9.969 8.448 1.00 0.00 S ATOM 166 CE MET A 10 -1.481 -9.975 7.673 1.00 0.00 C ATOM 0 H MET A 10 2.867 -9.037 5.835 1.00 0.00 H new ATOM 0 HA MET A 10 0.812 -9.547 3.867 1.00 0.00 H new ATOM 0 HB2 MET A 10 0.051 -8.004 6.234 1.00 0.00 H new ATOM 0 HB3 MET A 10 -0.524 -9.568 5.692 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.602 -10.611 6.615 1.00 0.00 H new ATOM 0 HG3 MET A 10 2.050 -9.042 7.256 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.235 -10.219 8.421 1.00 0.00 H new ATOM 0 HE2 MET A 10 -1.690 -8.990 7.255 1.00 0.00 H new ATOM 0 HE3 MET A 10 -1.505 -10.720 6.877 1.00 0.00 H new ATOM 176 N LEU A 11 1.897 -6.497 4.576 1.00 0.00 N ATOM 177 CA LEU A 11 1.868 -5.106 4.154 1.00 0.00 C ATOM 178 C LEU A 11 2.522 -4.983 2.777 1.00 0.00 C ATOM 179 O LEU A 11 2.158 -4.062 2.032 1.00 0.00 O ATOM 180 CB LEU A 11 2.505 -4.210 5.219 1.00 0.00 C ATOM 181 CG LEU A 11 1.858 -4.254 6.605 1.00 0.00 C ATOM 182 CD1 LEU A 11 2.800 -3.683 7.668 1.00 0.00 C ATOM 183 CD2 LEU A 11 0.503 -3.545 6.602 1.00 0.00 C ATOM 0 H LEU A 11 2.607 -6.707 5.277 1.00 0.00 H new ATOM 0 HA LEU A 11 0.840 -4.760 4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.554 -4.489 5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.482 -3.181 4.861 1.00 0.00 H new ATOM 0 HG LEU A 11 1.675 -5.297 6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.316 -3.726 8.644 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.719 -4.269 7.692 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.037 -2.647 7.426 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.066 -3.592 7.599 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.638 -2.503 6.313 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.162 -4.035 5.891 1.00 0.00 H new ATOM 195 N LYS A 12 3.460 -5.898 2.471 1.00 0.00 N ATOM 196 CA LYS A 12 4.155 -5.890 1.195 1.00 0.00 C ATOM 197 C LYS A 12 3.236 -6.464 0.115 1.00 0.00 C ATOM 198 O LYS A 12 3.290 -5.978 -1.025 1.00 0.00 O ATOM 199 CB LYS A 12 5.495 -6.618 1.311 1.00 0.00 C ATOM 200 CG LYS A 12 6.624 -5.639 1.641 1.00 0.00 C ATOM 201 CD LYS A 12 7.772 -5.767 0.637 1.00 0.00 C ATOM 202 CE LYS A 12 9.122 -5.521 1.314 1.00 0.00 C ATOM 203 NZ LYS A 12 10.220 -5.679 0.347 1.00 0.00 N ATOM 0 H LYS A 12 3.746 -6.649 3.099 1.00 0.00 H new ATOM 0 HA LYS A 12 4.397 -4.869 0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.432 -7.381 2.087 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.716 -7.132 0.375 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.240 -4.619 1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.994 -5.831 2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.761 -6.761 0.191 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.632 -5.052 -0.174 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.145 -4.517 1.739 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.254 -6.220 2.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.129 -5.509 0.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.207 -6.645 -0.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.101 -4.995 -0.428 1.00 0.00 H new ATOM 217 N LEU A 13 2.422 -7.469 0.486 1.00 0.00 N ATOM 218 CA LEU A 13 1.502 -8.099 -0.444 1.00 0.00 C ATOM 219 C LEU A 13 0.376 -7.120 -0.783 1.00 0.00 C ATOM 220 O LEU A 13 -0.005 -7.046 -1.960 1.00 0.00 O ATOM 221 CB LEU A 13 1.008 -9.435 0.114 1.00 0.00 C ATOM 222 CG LEU A 13 0.477 -10.436 -0.915 1.00 0.00 C ATOM 223 CD1 LEU A 13 -0.523 -11.401 -0.275 1.00 0.00 C ATOM 224 CD2 LEU A 13 -0.116 -9.716 -2.127 1.00 0.00 C ATOM 0 H LEU A 13 2.392 -7.855 1.430 1.00 0.00 H new ATOM 0 HA LEU A 13 2.009 -8.338 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.827 -9.904 0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.218 -9.234 0.838 1.00 0.00 H new ATOM 0 HG LEU A 13 1.315 -11.032 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.885 -12.102 -1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.034 -11.952 0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.363 -10.838 0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.486 -10.451 -2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.939 -9.078 -1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.653 -9.105 -2.600 1.00 0.00 H new ATOM 236 N ASP A 14 -0.125 -6.402 0.237 1.00 0.00 N ATOM 237 CA ASP A 14 -1.196 -5.438 0.047 1.00 0.00 C ATOM 238 C ASP A 14 -0.670 -4.250 -0.761 1.00 0.00 C ATOM 239 O ASP A 14 -1.461 -3.640 -1.495 1.00 0.00 O ATOM 240 CB ASP A 14 -1.703 -4.908 1.390 1.00 0.00 C ATOM 241 CG ASP A 14 -3.224 -4.776 1.499 1.00 0.00 C ATOM 242 OD1 ASP A 14 -3.971 -5.709 1.167 1.00 0.00 O ATOM 243 OD2 ASP A 14 -3.641 -3.643 1.954 1.00 0.00 O ATOM 0 H ASP A 14 0.203 -6.479 1.200 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.011 -5.938 -0.476 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.353 -5.571 2.181 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.254 -3.931 1.571 1.00 0.00 H new ATOM 248 N ASN A 15 0.633 -3.950 -0.613 1.00 0.00 N ATOM 249 CA ASN A 15 1.254 -2.846 -1.324 1.00 0.00 C ATOM 250 C ASN A 15 1.179 -3.108 -2.830 1.00 0.00 C ATOM 251 O ASN A 15 0.745 -2.208 -3.564 1.00 0.00 O ATOM 252 CB ASN A 15 2.729 -2.706 -0.942 1.00 0.00 C ATOM 253 CG ASN A 15 3.174 -1.242 -1.001 1.00 0.00 C ATOM 254 OD1 ASN A 15 3.569 -0.728 -2.033 1.00 0.00 O ATOM 255 ND2 ASN A 15 3.088 -0.605 0.163 1.00 0.00 N ATOM 0 H ASN A 15 1.268 -4.465 -0.003 1.00 0.00 H new ATOM 0 HA ASN A 15 0.723 -1.932 -1.057 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.887 -3.098 0.063 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.342 -3.304 -1.617 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.362 0.375 0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.748 -1.097 0.990 1.00 0.00 H new ATOM 262 N TYR A 16 1.595 -4.315 -3.253 1.00 0.00 N ATOM 263 CA TYR A 16 1.552 -4.624 -4.671 1.00 0.00 C ATOM 264 C TYR A 16 0.098 -4.614 -5.148 1.00 0.00 C ATOM 265 O TYR A 16 -0.141 -4.159 -6.276 1.00 0.00 O ATOM 266 CB TYR A 16 2.234 -5.979 -4.939 1.00 0.00 C ATOM 267 CG TYR A 16 3.504 -6.215 -4.135 1.00 0.00 C ATOM 268 CD1 TYR A 16 4.367 -5.134 -3.840 1.00 0.00 C ATOM 269 CD2 TYR A 16 3.828 -7.513 -3.673 1.00 0.00 C ATOM 270 CE1 TYR A 16 5.544 -5.348 -3.092 1.00 0.00 C ATOM 271 CE2 TYR A 16 5.006 -7.726 -2.926 1.00 0.00 C ATOM 272 CZ TYR A 16 5.866 -6.644 -2.635 1.00 0.00 C ATOM 273 OH TYR A 16 7.007 -6.846 -1.913 1.00 0.00 O ATOM 0 H TYR A 16 1.950 -5.058 -2.651 1.00 0.00 H new ATOM 0 HA TYR A 16 2.099 -3.868 -5.233 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.526 -6.778 -4.719 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.473 -6.048 -6.000 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.124 -4.141 -4.189 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.172 -8.342 -3.893 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.199 -4.519 -2.869 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.250 -8.718 -2.576 1.00 0.00 H new ATOM 0 HH TYR A 16 7.080 -7.794 -1.674 1.00 0.00 H new ATOM 283 N HIS A 17 -0.823 -5.113 -4.306 1.00 0.00 N ATOM 284 CA HIS A 17 -2.233 -5.166 -4.650 1.00 0.00 C ATOM 285 C HIS A 17 -2.782 -3.742 -4.758 1.00 0.00 C ATOM 286 O HIS A 17 -3.670 -3.513 -5.592 1.00 0.00 O ATOM 287 CB HIS A 17 -3.010 -6.027 -3.652 1.00 0.00 C ATOM 288 CG HIS A 17 -4.264 -5.373 -3.123 1.00 0.00 C ATOM 289 ND1 HIS A 17 -4.479 -4.641 -1.992 1.00 0.00 N flip ATOM 290 CD2 HIS A 17 -5.480 -5.439 -3.782 1.00 0.00 C flip ATOM 291 CE1 HIS A 17 -5.756 -4.278 -1.963 1.00 0.00 C flip ATOM 292 NE2 HIS A 17 -6.378 -4.773 -3.071 1.00 0.00 N flip ATOM 0 H HIS A 17 -0.604 -5.484 -3.382 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.357 -5.646 -5.621 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.278 -6.968 -4.131 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.358 -6.271 -2.813 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.665 -5.947 -4.717 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.225 -3.688 -1.189 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -7.362 -4.652 -3.310 1.00 0.00 H new ATOM 300 N LEU A 18 -2.251 -2.828 -3.926 1.00 0.00 N ATOM 301 CA LEU A 18 -2.685 -1.441 -3.927 1.00 0.00 C ATOM 302 C LEU A 18 -2.064 -0.719 -5.125 1.00 0.00 C ATOM 303 O LEU A 18 -2.806 -0.048 -5.858 1.00 0.00 O ATOM 304 CB LEU A 18 -2.374 -0.781 -2.582 1.00 0.00 C ATOM 305 CG LEU A 18 -3.192 -1.275 -1.388 1.00 0.00 C ATOM 306 CD1 LEU A 18 -2.454 -1.017 -0.073 1.00 0.00 C ATOM 307 CD2 LEU A 18 -4.592 -0.658 -1.390 1.00 0.00 C ATOM 0 H LEU A 18 -1.519 -3.037 -3.247 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.767 -1.380 -4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.317 -0.933 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.528 0.293 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.315 -2.354 -1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.058 -1.378 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.499 -1.542 -0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.279 0.053 0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.153 -1.026 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.511 0.428 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.111 -0.936 -2.308 1.00 0.00 H new ATOM 319 N GLU A 19 -0.739 -0.867 -5.296 1.00 0.00 N ATOM 320 CA GLU A 19 -0.028 -0.234 -6.394 1.00 0.00 C ATOM 321 C GLU A 19 -0.504 -0.835 -7.718 1.00 0.00 C ATOM 322 O GLU A 19 -0.421 -0.144 -8.744 1.00 0.00 O ATOM 323 CB GLU A 19 1.487 -0.377 -6.240 1.00 0.00 C ATOM 324 CG GLU A 19 2.157 0.993 -6.116 1.00 0.00 C ATOM 325 CD GLU A 19 3.354 0.933 -5.165 1.00 0.00 C ATOM 326 OE1 GLU A 19 4.433 0.447 -5.677 1.00 0.00 O ATOM 327 OE2 GLU A 19 3.239 1.336 -3.997 1.00 0.00 O ATOM 0 H GLU A 19 -0.147 -1.424 -4.680 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.248 0.833 -6.383 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.712 -0.977 -5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.895 -0.909 -7.099 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.485 1.332 -7.099 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.435 1.724 -5.752 1.00 0.00 H new ATOM 334 N ASN A 20 -0.986 -2.091 -7.671 1.00 0.00 N ATOM 335 CA ASN A 20 -1.470 -2.775 -8.858 1.00 0.00 C ATOM 336 C ASN A 20 -2.823 -2.189 -9.264 1.00 0.00 C ATOM 337 O ASN A 20 -3.131 -2.192 -10.465 1.00 0.00 O ATOM 338 CB ASN A 20 -1.662 -4.269 -8.593 1.00 0.00 C ATOM 339 CG ASN A 20 -0.385 -5.051 -8.908 1.00 0.00 C ATOM 340 OD1 ASN A 20 0.450 -4.636 -9.695 1.00 0.00 O ATOM 341 ND2 ASN A 20 -0.281 -6.205 -8.253 1.00 0.00 N ATOM 0 H ASN A 20 -1.046 -2.644 -6.816 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.732 -2.641 -9.648 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.940 -4.424 -7.550 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.484 -4.647 -9.201 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.534 -6.801 -8.396 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.017 -6.493 -7.608 1.00 0.00 H new ATOM 348 N GLU A 21 -3.591 -1.705 -8.272 1.00 0.00 N ATOM 349 CA GLU A 21 -4.898 -1.122 -8.524 1.00 0.00 C ATOM 350 C GLU A 21 -4.730 0.351 -8.900 1.00 0.00 C ATOM 351 O GLU A 21 -5.355 0.786 -9.879 1.00 0.00 O ATOM 352 CB GLU A 21 -5.826 -1.279 -7.318 1.00 0.00 C ATOM 353 CG GLU A 21 -7.256 -1.591 -7.764 1.00 0.00 C ATOM 354 CD GLU A 21 -8.253 -1.322 -6.634 1.00 0.00 C ATOM 355 OE1 GLU A 21 -7.740 -1.285 -5.451 1.00 0.00 O ATOM 356 OE2 GLU A 21 -9.455 -1.162 -6.893 1.00 0.00 O ATOM 0 H GLU A 21 -3.318 -1.711 -7.289 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.364 -1.654 -9.353 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.459 -2.078 -6.674 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.817 -0.364 -6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.511 -0.983 -8.632 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.325 -2.634 -8.074 1.00 0.00 H new ATOM 363 N VAL A 22 -3.905 1.079 -8.127 1.00 0.00 N ATOM 364 CA VAL A 22 -3.659 2.489 -8.376 1.00 0.00 C ATOM 365 C VAL A 22 -3.004 2.654 -9.748 1.00 0.00 C ATOM 366 O VAL A 22 -3.223 3.693 -10.387 1.00 0.00 O ATOM 367 CB VAL A 22 -2.826 3.086 -7.240 1.00 0.00 C ATOM 368 CG1 VAL A 22 -2.362 4.502 -7.585 1.00 0.00 C ATOM 369 CG2 VAL A 22 -3.604 3.068 -5.922 1.00 0.00 C ATOM 0 H VAL A 22 -3.401 0.702 -7.324 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.598 3.041 -8.396 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.939 2.466 -7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.772 4.903 -6.761 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.752 4.475 -8.488 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.231 5.139 -7.753 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.990 3.498 -5.131 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.517 3.653 -6.031 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.860 2.040 -5.665 1.00 0.00 H new ATOM 379 N ALA A 23 -2.223 1.641 -10.167 1.00 0.00 N ATOM 380 CA ALA A 23 -1.544 1.673 -11.451 1.00 0.00 C ATOM 381 C ALA A 23 -2.581 1.622 -12.575 1.00 0.00 C ATOM 382 O ALA A 23 -2.244 2.000 -13.706 1.00 0.00 O ATOM 383 CB ALA A 23 -0.679 0.421 -11.607 1.00 0.00 C ATOM 0 H ALA A 23 -2.054 0.794 -9.625 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.942 2.580 -11.500 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.171 0.448 -12.571 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.061 0.388 -10.807 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.310 -0.466 -11.554 1.00 0.00 H new ATOM 389 N ARG A 24 -3.802 1.162 -12.246 1.00 0.00 N ATOM 390 CA ARG A 24 -4.875 1.063 -13.220 1.00 0.00 C ATOM 391 C ARG A 24 -5.704 2.350 -13.192 1.00 0.00 C ATOM 392 O ARG A 24 -6.075 2.835 -14.270 1.00 0.00 O ATOM 393 CB ARG A 24 -5.788 -0.130 -12.933 1.00 0.00 C ATOM 394 CG ARG A 24 -5.038 -1.224 -12.172 1.00 0.00 C ATOM 395 CD ARG A 24 -5.955 -2.410 -11.871 1.00 0.00 C ATOM 396 NE ARG A 24 -5.146 -3.618 -11.591 1.00 0.00 N ATOM 397 CZ ARG A 24 -4.576 -4.384 -12.544 1.00 0.00 C ATOM 398 NH1 ARG A 24 -4.740 -4.050 -13.831 1.00 0.00 N ATOM 399 NH2 ARG A 24 -3.857 -5.465 -12.209 1.00 0.00 N ATOM 0 H ARG A 24 -4.058 0.855 -11.308 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.427 0.919 -14.203 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.649 0.198 -12.350 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.172 -0.532 -13.870 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.184 -1.560 -12.760 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.644 -0.819 -11.240 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.590 -2.181 -11.015 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.616 -2.593 -12.718 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.011 -3.888 -10.617 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.289 -3.227 -14.078 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.315 -4.619 -14.564 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.738 -5.714 -11.227 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.430 -6.039 -12.936 1.00 0.00 H new ATOM 413 N LEU A 25 -5.972 2.866 -11.979 1.00 0.00 N ATOM 414 CA LEU A 25 -6.750 4.083 -11.815 1.00 0.00 C ATOM 415 C LEU A 25 -5.910 5.282 -12.259 1.00 0.00 C ATOM 416 O LEU A 25 -6.462 6.177 -12.916 1.00 0.00 O ATOM 417 CB LEU A 25 -7.273 4.195 -10.382 1.00 0.00 C ATOM 418 CG LEU A 25 -8.387 3.218 -9.996 1.00 0.00 C ATOM 419 CD1 LEU A 25 -7.828 1.812 -9.768 1.00 0.00 C ATOM 420 CD2 LEU A 25 -9.168 3.728 -8.784 1.00 0.00 C ATOM 0 H LEU A 25 -5.656 2.450 -11.103 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.635 4.059 -12.451 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.436 4.050 -9.699 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.638 5.210 -10.228 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.089 3.154 -10.827 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.640 1.138 -9.495 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.353 1.457 -10.682 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.093 1.839 -8.964 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.953 3.015 -8.531 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.492 3.839 -7.936 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.616 4.693 -9.020 1.00 0.00 H new ATOM 432 N LYS A 26 -4.614 5.277 -11.898 1.00 0.00 N ATOM 433 CA LYS A 26 -3.711 6.357 -12.256 1.00 0.00 C ATOM 434 C LYS A 26 -3.667 6.496 -13.779 1.00 0.00 C ATOM 435 O LYS A 26 -3.512 7.626 -14.263 1.00 0.00 O ATOM 436 CB LYS A 26 -2.338 6.140 -11.619 1.00 0.00 C ATOM 437 CG LYS A 26 -2.333 6.592 -10.156 1.00 0.00 C ATOM 438 CD LYS A 26 -0.944 7.080 -9.738 1.00 0.00 C ATOM 439 CE LYS A 26 -0.591 8.394 -10.438 1.00 0.00 C ATOM 440 NZ LYS A 26 0.676 8.932 -9.916 1.00 0.00 N ATOM 0 H LYS A 26 -4.179 4.529 -11.357 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.075 7.305 -11.859 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.068 5.086 -11.678 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.583 6.694 -12.177 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.061 7.391 -10.016 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.640 5.766 -9.515 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.914 7.220 -8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.200 6.322 -9.982 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.508 8.230 -11.512 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.391 9.119 -10.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.901 9.824 -10.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.584 9.107 -8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.439 8.245 -10.082 1.00 0.00 H new ATOM 454 N LYS A 27 -3.802 5.363 -14.491 1.00 0.00 N ATOM 455 CA LYS A 27 -3.778 5.359 -15.943 1.00 0.00 C ATOM 456 C LYS A 27 -5.024 6.073 -16.472 1.00 0.00 C ATOM 457 O LYS A 27 -5.073 6.361 -17.677 1.00 0.00 O ATOM 458 CB LYS A 27 -3.615 3.933 -16.473 1.00 0.00 C ATOM 459 CG LYS A 27 -2.683 3.901 -17.685 1.00 0.00 C ATOM 460 CD LYS A 27 -1.223 4.071 -17.259 1.00 0.00 C ATOM 461 CE LYS A 27 -0.894 3.173 -16.064 1.00 0.00 C ATOM 462 NZ LYS A 27 0.528 2.794 -16.080 1.00 0.00 N ATOM 0 H LYS A 27 -3.929 4.442 -14.072 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.913 5.912 -16.311 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.216 3.292 -15.686 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.590 3.530 -16.749 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.803 2.956 -18.216 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.957 4.694 -18.380 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.566 3.827 -18.094 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.035 5.113 -16.999 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.127 3.694 -15.135 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.515 2.278 -16.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.734 2.185 -15.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.740 2.279 -16.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.116 3.650 -16.031 1.00 0.00 H new ATOM 476 N LEU A 28 -5.991 6.339 -15.576 1.00 0.00 N ATOM 477 CA LEU A 28 -7.223 7.012 -15.950 1.00 0.00 C ATOM 478 C LEU A 28 -7.237 8.418 -15.344 1.00 0.00 C ATOM 479 O LEU A 28 -7.797 9.326 -15.974 1.00 0.00 O ATOM 480 CB LEU A 28 -8.437 6.164 -15.562 1.00 0.00 C ATOM 481 CG LEU A 28 -9.487 5.957 -16.654 1.00 0.00 C ATOM 482 CD1 LEU A 28 -9.065 4.845 -17.617 1.00 0.00 C ATOM 483 CD2 LEU A 28 -10.867 5.695 -16.046 1.00 0.00 C ATOM 0 H LEU A 28 -5.932 6.093 -14.588 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.278 7.130 -17.032 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.083 5.186 -15.236 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.921 6.630 -14.704 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.560 6.876 -17.235 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.829 4.718 -18.384 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.119 5.111 -18.088 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.946 3.912 -17.066 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.595 5.551 -16.844 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.827 4.800 -15.426 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.163 6.547 -15.434 1.00 0.00 H new ATOM 495 N VAL A 29 -6.629 8.565 -14.153 1.00 0.00 N ATOM 496 CA VAL A 29 -6.571 9.847 -13.472 1.00 0.00 C ATOM 497 C VAL A 29 -5.160 10.426 -13.603 1.00 0.00 C ATOM 498 O VAL A 29 -5.003 11.451 -14.283 1.00 0.00 O ATOM 499 CB VAL A 29 -7.020 9.689 -12.019 1.00 0.00 C ATOM 500 CG1 VAL A 29 -7.334 11.047 -11.390 1.00 0.00 C ATOM 501 CG2 VAL A 29 -8.221 8.747 -11.917 1.00 0.00 C ATOM 0 H VAL A 29 -6.173 7.803 -13.651 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.258 10.556 -13.934 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.196 9.245 -11.460 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.651 10.905 -10.357 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -6.442 11.674 -11.413 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.133 11.532 -11.951 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.521 8.651 -10.873 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.051 9.151 -12.497 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.949 7.766 -12.307 1.00 0.00 H new ATOM 511 N GLY A 30 -4.178 9.769 -12.959 1.00 0.00 N ATOM 512 CA GLY A 30 -2.796 10.215 -13.003 1.00 0.00 C ATOM 513 C GLY A 30 -2.374 10.413 -14.461 1.00 0.00 C ATOM 514 O GLY A 30 -1.308 11.001 -14.692 1.00 0.00 O ATOM 0 H GLY A 30 -4.329 8.927 -12.404 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.685 11.148 -12.451 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.150 9.481 -12.522 1.00 0.00 H new ATOM 518 N GLU A 31 -3.205 9.926 -15.399 1.00 0.00 N ATOM 519 CA GLU A 31 -2.921 10.048 -16.819 1.00 0.00 C ATOM 520 C GLU A 31 -2.692 11.521 -17.163 1.00 0.00 C ATOM 521 O GLU A 31 -3.681 12.236 -17.384 1.00 0.00 O ATOM 522 CB GLU A 31 -4.043 9.454 -17.671 1.00 0.00 C ATOM 523 CG GLU A 31 -3.477 8.567 -18.782 1.00 0.00 C ATOM 524 CD GLU A 31 -4.518 8.330 -19.878 1.00 0.00 C ATOM 525 OE1 GLU A 31 -5.492 9.175 -19.898 1.00 0.00 O ATOM 526 OE2 GLU A 31 -4.387 7.379 -20.662 1.00 0.00 O ATOM 0 H GLU A 31 -4.079 9.444 -15.187 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.018 9.480 -17.045 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.713 8.870 -17.040 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.636 10.257 -18.109 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.592 9.036 -19.211 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.160 7.612 -18.364 1.00 0.00 H new ATOM 533 N ARG A 32 -1.415 11.941 -17.202 1.00 0.00 N ATOM 534 CA ARG A 32 -1.064 13.314 -17.517 1.00 0.00 C ATOM 535 C ARG A 32 -1.758 13.728 -18.816 1.00 0.00 C ATOM 536 O ARG A 32 -2.805 14.370 -18.788 1.00 0.00 O ATOM 537 CB ARG A 32 0.448 13.489 -17.676 1.00 0.00 C ATOM 538 CG ARG A 32 0.968 12.695 -18.877 1.00 0.00 C ATOM 539 CD ARG A 32 2.216 11.892 -18.504 1.00 0.00 C ATOM 540 NE ARG A 32 3.057 12.670 -17.567 1.00 0.00 N ATOM 541 CZ ARG A 32 4.389 12.502 -17.426 1.00 0.00 C ATOM 542 NH1 ARG A 32 5.009 11.577 -18.172 1.00 0.00 N ATOM 543 NH2 ARG A 32 5.081 13.247 -16.554 1.00 0.00 N ATOM 0 H ARG A 32 -0.614 11.337 -17.017 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.393 13.944 -16.690 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.684 14.545 -17.804 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.954 13.157 -16.769 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.191 12.020 -19.236 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.201 13.377 -19.695 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.927 10.946 -18.046 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.785 11.651 -19.402 1.00 0.00 H new ATOM 0 HE ARG A 32 2.601 13.378 -16.991 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.475 11.013 -18.833 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.015 11.437 -18.078 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.602 13.948 -15.990 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.087 13.113 -16.454 1.00 0.00 H new TER 557 ARG A 32 ATOM 558 N MET B 1 16.153 -7.130 12.988 1.00 0.00 N ATOM 559 CA MET B 1 14.959 -6.908 13.786 1.00 0.00 C ATOM 560 C MET B 1 14.770 -5.406 14.009 1.00 0.00 C ATOM 561 O MET B 1 13.639 -4.925 13.850 1.00 0.00 O ATOM 562 CB MET B 1 15.086 -7.612 15.139 1.00 0.00 C ATOM 563 CG MET B 1 13.762 -8.262 15.545 1.00 0.00 C ATOM 564 SD MET B 1 13.598 -8.261 17.354 1.00 0.00 S ATOM 565 CE MET B 1 14.876 -9.477 17.787 1.00 0.00 C ATOM 0 H1 MET B 1 16.219 -8.137 12.735 1.00 0.00 H new ATOM 0 H2 MET B 1 16.103 -6.558 12.121 1.00 0.00 H new ATOM 0 H3 MET B 1 16.993 -6.855 13.536 1.00 0.00 H new ATOM 0 HA MET B 1 14.098 -7.315 13.256 1.00 0.00 H new ATOM 0 HB2 MET B 1 15.867 -8.371 15.086 1.00 0.00 H new ATOM 0 HB3 MET B 1 15.391 -6.893 15.900 1.00 0.00 H new ATOM 0 HG2 MET B 1 12.929 -7.721 15.096 1.00 0.00 H new ATOM 0 HG3 MET B 1 13.719 -9.284 15.168 1.00 0.00 H new ATOM 0 HE1 MET B 1 14.575 -10.017 18.685 1.00 0.00 H new ATOM 0 HE2 MET B 1 15.001 -10.182 16.965 1.00 0.00 H new ATOM 0 HE3 MET B 1 15.820 -8.963 17.971 1.00 0.00 H new ATOM 575 N ASP B 2 15.863 -4.708 14.366 1.00 0.00 N ATOM 576 CA ASP B 2 15.817 -3.276 14.606 1.00 0.00 C ATOM 577 C ASP B 2 15.190 -2.580 13.396 1.00 0.00 C ATOM 578 O ASP B 2 14.394 -1.651 13.597 1.00 0.00 O ATOM 579 CB ASP B 2 17.223 -2.706 14.803 1.00 0.00 C ATOM 580 CG ASP B 2 17.793 -2.864 16.214 1.00 0.00 C ATOM 581 OD1 ASP B 2 17.147 -3.438 17.103 1.00 0.00 O ATOM 582 OD2 ASP B 2 18.968 -2.360 16.388 1.00 0.00 O ATOM 0 H ASP B 2 16.786 -5.124 14.492 1.00 0.00 H new ATOM 0 HA ASP B 2 15.228 -3.104 15.507 1.00 0.00 H new ATOM 0 HB2 ASP B 2 17.898 -3.192 14.098 1.00 0.00 H new ATOM 0 HB3 ASP B 2 17.208 -1.646 14.550 1.00 0.00 H new ATOM 587 N ALA B 3 15.555 -3.034 12.184 1.00 0.00 N ATOM 588 CA ALA B 3 15.032 -2.458 10.957 1.00 0.00 C ATOM 589 C ALA B 3 13.668 -3.079 10.648 1.00 0.00 C ATOM 590 O ALA B 3 12.918 -2.493 9.855 1.00 0.00 O ATOM 591 CB ALA B 3 15.945 -2.826 9.785 1.00 0.00 C ATOM 0 H ALA B 3 16.212 -3.800 12.040 1.00 0.00 H new ATOM 0 HA ALA B 3 14.965 -1.378 11.085 1.00 0.00 H new ATOM 0 HB1 ALA B 3 15.550 -2.393 8.866 1.00 0.00 H new ATOM 0 HB2 ALA B 3 16.947 -2.437 9.968 1.00 0.00 H new ATOM 0 HB3 ALA B 3 15.989 -3.910 9.685 1.00 0.00 H new ATOM 597 N ILE B 4 13.378 -4.236 11.272 1.00 0.00 N ATOM 598 CA ILE B 4 12.117 -4.927 11.065 1.00 0.00 C ATOM 599 C ILE B 4 10.998 -4.161 11.775 1.00 0.00 C ATOM 600 O ILE B 4 9.946 -3.946 11.156 1.00 0.00 O ATOM 601 CB ILE B 4 12.230 -6.390 11.497 1.00 0.00 C ATOM 602 CG1 ILE B 4 13.306 -7.118 10.689 1.00 0.00 C ATOM 603 CG2 ILE B 4 10.874 -7.094 11.412 1.00 0.00 C ATOM 604 CD1 ILE B 4 12.813 -8.493 10.232 1.00 0.00 C ATOM 0 H ILE B 4 14.010 -4.703 11.923 1.00 0.00 H new ATOM 0 HA ILE B 4 11.865 -4.950 10.005 1.00 0.00 H new ATOM 0 HB ILE B 4 12.540 -6.415 12.542 1.00 0.00 H new ATOM 0 HG12 ILE B 4 13.581 -6.519 9.821 1.00 0.00 H new ATOM 0 HG13 ILE B 4 14.205 -7.233 11.295 1.00 0.00 H new ATOM 0 HG21 ILE B 4 10.983 -8.133 11.725 1.00 0.00 H new ATOM 0 HG22 ILE B 4 10.161 -6.591 12.066 1.00 0.00 H new ATOM 0 HG23 ILE B 4 10.510 -7.061 10.385 1.00 0.00 H new ATOM 0 HD11 ILE B 4 13.597 -8.989 9.660 1.00 0.00 H new ATOM 0 HD12 ILE B 4 12.562 -9.098 11.103 1.00 0.00 H new ATOM 0 HD13 ILE B 4 11.928 -8.373 9.607 1.00 0.00 H new ATOM 616 N LYS B 5 11.244 -3.772 13.039 1.00 0.00 N ATOM 617 CA LYS B 5 10.264 -3.039 13.822 1.00 0.00 C ATOM 618 C LYS B 5 9.811 -1.805 13.039 1.00 0.00 C ATOM 619 O LYS B 5 8.635 -1.431 13.156 1.00 0.00 O ATOM 620 CB LYS B 5 10.821 -2.715 15.211 1.00 0.00 C ATOM 621 CG LYS B 5 11.208 -3.992 15.957 1.00 0.00 C ATOM 622 CD LYS B 5 12.720 -4.066 16.173 1.00 0.00 C ATOM 623 CE LYS B 5 13.093 -3.644 17.595 1.00 0.00 C ATOM 624 NZ LYS B 5 12.788 -4.723 18.550 1.00 0.00 N ATOM 0 H LYS B 5 12.118 -3.959 13.530 1.00 0.00 H new ATOM 0 HA LYS B 5 9.379 -3.652 13.993 1.00 0.00 H new ATOM 0 HB2 LYS B 5 11.692 -2.067 15.115 1.00 0.00 H new ATOM 0 HB3 LYS B 5 10.076 -2.165 15.786 1.00 0.00 H new ATOM 0 HG2 LYS B 5 10.698 -4.023 16.920 1.00 0.00 H new ATOM 0 HG3 LYS B 5 10.875 -4.862 15.392 1.00 0.00 H new ATOM 0 HD2 LYS B 5 13.068 -5.082 15.989 1.00 0.00 H new ATOM 0 HD3 LYS B 5 13.225 -3.421 15.454 1.00 0.00 H new ATOM 0 HE2 LYS B 5 14.154 -3.399 17.641 1.00 0.00 H new ATOM 0 HE3 LYS B 5 12.545 -2.742 17.869 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 13.348 -4.589 19.416 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 11.775 -4.702 18.786 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 13.025 -5.641 18.124 1.00 0.00 H new ATOM 638 N LYS B 6 10.738 -1.206 12.269 1.00 0.00 N ATOM 639 CA LYS B 6 10.435 -0.027 11.476 1.00 0.00 C ATOM 640 C LYS B 6 9.967 -0.459 10.085 1.00 0.00 C ATOM 641 O LYS B 6 9.219 0.299 9.452 1.00 0.00 O ATOM 642 CB LYS B 6 11.632 0.925 11.454 1.00 0.00 C ATOM 643 CG LYS B 6 12.251 1.060 12.847 1.00 0.00 C ATOM 644 CD LYS B 6 13.514 1.924 12.804 1.00 0.00 C ATOM 645 CE LYS B 6 13.590 2.843 14.026 1.00 0.00 C ATOM 646 NZ LYS B 6 14.361 4.057 13.711 1.00 0.00 N ATOM 0 H LYS B 6 11.702 -1.529 12.187 1.00 0.00 H new ATOM 0 HA LYS B 6 9.617 0.536 11.927 1.00 0.00 H new ATOM 0 HB2 LYS B 6 12.381 0.557 10.753 1.00 0.00 H new ATOM 0 HB3 LYS B 6 11.315 1.905 11.096 1.00 0.00 H new ATOM 0 HG2 LYS B 6 11.526 1.503 13.530 1.00 0.00 H new ATOM 0 HG3 LYS B 6 12.495 0.072 13.238 1.00 0.00 H new ATOM 0 HD2 LYS B 6 14.396 1.284 12.770 1.00 0.00 H new ATOM 0 HD3 LYS B 6 13.519 2.523 11.893 1.00 0.00 H new ATOM 0 HE2 LYS B 6 12.584 3.116 14.346 1.00 0.00 H new ATOM 0 HE3 LYS B 6 14.056 2.314 14.857 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 14.403 4.669 14.551 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 15.326 3.792 13.428 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 13.900 4.569 12.932 1.00 0.00 H new ATOM 660 N LYS B 7 10.411 -1.650 9.644 1.00 0.00 N ATOM 661 CA LYS B 7 10.041 -2.175 8.340 1.00 0.00 C ATOM 662 C LYS B 7 8.516 -2.244 8.237 1.00 0.00 C ATOM 663 O LYS B 7 7.969 -1.757 7.238 1.00 0.00 O ATOM 664 CB LYS B 7 10.736 -3.513 8.084 1.00 0.00 C ATOM 665 CG LYS B 7 10.367 -4.069 6.708 1.00 0.00 C ATOM 666 CD LYS B 7 10.535 -3.002 5.623 1.00 0.00 C ATOM 667 CE LYS B 7 11.067 -3.617 4.327 1.00 0.00 C ATOM 668 NZ LYS B 7 10.142 -4.648 3.828 1.00 0.00 N ATOM 0 H LYS B 7 11.027 -2.260 10.181 1.00 0.00 H new ATOM 0 HA LYS B 7 10.384 -1.508 7.549 1.00 0.00 H new ATOM 0 HB2 LYS B 7 11.816 -3.384 8.150 1.00 0.00 H new ATOM 0 HB3 LYS B 7 10.452 -4.228 8.857 1.00 0.00 H new ATOM 0 HG2 LYS B 7 10.996 -4.929 6.478 1.00 0.00 H new ATOM 0 HG3 LYS B 7 9.336 -4.423 6.719 1.00 0.00 H new ATOM 0 HD2 LYS B 7 9.577 -2.517 5.433 1.00 0.00 H new ATOM 0 HD3 LYS B 7 11.220 -2.229 5.971 1.00 0.00 H new ATOM 0 HE2 LYS B 7 11.195 -2.839 3.574 1.00 0.00 H new ATOM 0 HE3 LYS B 7 12.049 -4.055 4.502 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 10.668 -5.337 3.253 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 9.699 -5.135 4.633 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 9.405 -4.201 3.246 1.00 0.00 H new ATOM 682 N MET B 8 7.871 -2.840 9.257 1.00 0.00 N ATOM 683 CA MET B 8 6.424 -2.971 9.280 1.00 0.00 C ATOM 684 C MET B 8 5.792 -1.582 9.396 1.00 0.00 C ATOM 685 O MET B 8 4.635 -1.424 8.978 1.00 0.00 O ATOM 686 CB MET B 8 5.986 -3.832 10.467 1.00 0.00 C ATOM 687 CG MET B 8 6.570 -3.299 11.776 1.00 0.00 C ATOM 688 SD MET B 8 5.951 -4.275 13.177 1.00 0.00 S ATOM 689 CE MET B 8 5.699 -2.952 14.398 1.00 0.00 C ATOM 0 H MET B 8 8.341 -3.235 10.072 1.00 0.00 H new ATOM 0 HA MET B 8 6.097 -3.451 8.358 1.00 0.00 H new ATOM 0 HB2 MET B 8 4.898 -3.846 10.529 1.00 0.00 H new ATOM 0 HB3 MET B 8 6.309 -4.861 10.313 1.00 0.00 H new ATOM 0 HG2 MET B 8 7.659 -3.345 11.743 1.00 0.00 H new ATOM 0 HG3 MET B 8 6.299 -2.251 11.904 1.00 0.00 H new ATOM 0 HE1 MET B 8 5.318 -3.380 15.325 1.00 0.00 H new ATOM 0 HE2 MET B 8 6.647 -2.451 14.592 1.00 0.00 H new ATOM 0 HE3 MET B 8 4.980 -2.230 14.010 1.00 0.00 H new ATOM 699 N GLN B 9 6.551 -0.621 9.952 1.00 0.00 N ATOM 700 CA GLN B 9 6.067 0.740 10.120 1.00 0.00 C ATOM 701 C GLN B 9 6.146 1.473 8.779 1.00 0.00 C ATOM 702 O GLN B 9 5.389 2.436 8.589 1.00 0.00 O ATOM 703 CB GLN B 9 6.854 1.486 11.199 1.00 0.00 C ATOM 704 CG GLN B 9 6.482 0.981 12.595 1.00 0.00 C ATOM 705 CD GLN B 9 6.823 2.023 13.663 1.00 0.00 C ATOM 706 OE1 GLN B 9 6.066 2.940 13.935 1.00 0.00 O ATOM 707 NE2 GLN B 9 8.000 1.831 14.250 1.00 0.00 N ATOM 0 H GLN B 9 7.502 -0.773 10.289 1.00 0.00 H new ATOM 0 HA GLN B 9 5.029 0.704 10.451 1.00 0.00 H new ATOM 0 HB2 GLN B 9 7.923 1.352 11.033 1.00 0.00 H new ATOM 0 HB3 GLN B 9 6.652 2.555 11.129 1.00 0.00 H new ATOM 0 HG2 GLN B 9 5.417 0.753 12.631 1.00 0.00 H new ATOM 0 HG3 GLN B 9 7.014 0.053 12.804 1.00 0.00 H new ATOM 0 HE21 GLN B 9 8.585 1.042 13.974 1.00 0.00 H new ATOM 0 HE22 GLN B 9 8.318 2.472 14.976 1.00 0.00 H new ATOM 716 N MET B 10 7.044 1.011 7.891 1.00 0.00 N ATOM 717 CA MET B 10 7.217 1.618 6.583 1.00 0.00 C ATOM 718 C MET B 10 6.132 1.100 5.636 1.00 0.00 C ATOM 719 O MET B 10 5.601 1.900 4.852 1.00 0.00 O ATOM 720 CB MET B 10 8.595 1.276 6.013 1.00 0.00 C ATOM 721 CG MET B 10 9.688 1.478 7.066 1.00 0.00 C ATOM 722 SD MET B 10 10.993 2.557 6.406 1.00 0.00 S ATOM 723 CE MET B 10 11.690 1.466 5.131 1.00 0.00 C ATOM 0 H MET B 10 7.658 0.216 8.068 1.00 0.00 H new ATOM 0 HA MET B 10 7.137 2.700 6.683 1.00 0.00 H new ATOM 0 HB2 MET B 10 8.604 0.242 5.668 1.00 0.00 H new ATOM 0 HB3 MET B 10 8.800 1.903 5.146 1.00 0.00 H new ATOM 0 HG2 MET B 10 9.260 1.919 7.966 1.00 0.00 H new ATOM 0 HG3 MET B 10 10.111 0.515 7.353 1.00 0.00 H new ATOM 0 HE1 MET B 10 12.543 1.955 4.660 1.00 0.00 H new ATOM 0 HE2 MET B 10 12.015 0.532 5.589 1.00 0.00 H new ATOM 0 HE3 MET B 10 10.931 1.256 4.377 1.00 0.00 H new ATOM 733 N LEU B 11 5.827 -0.207 5.727 1.00 0.00 N ATOM 734 CA LEU B 11 4.815 -0.822 4.887 1.00 0.00 C ATOM 735 C LEU B 11 3.426 -0.458 5.416 1.00 0.00 C ATOM 736 O LEU B 11 2.472 -0.464 4.624 1.00 0.00 O ATOM 737 CB LEU B 11 5.054 -2.330 4.775 1.00 0.00 C ATOM 738 CG LEU B 11 6.393 -2.753 4.167 1.00 0.00 C ATOM 739 CD1 LEU B 11 6.636 -4.250 4.366 1.00 0.00 C ATOM 740 CD2 LEU B 11 6.481 -2.348 2.695 1.00 0.00 C ATOM 0 H LEU B 11 6.276 -0.849 6.380 1.00 0.00 H new ATOM 0 HA LEU B 11 4.880 -0.435 3.870 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.976 -2.765 5.771 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.253 -2.761 4.175 1.00 0.00 H new ATOM 0 HG LEU B 11 7.188 -2.225 4.693 1.00 0.00 H new ATOM 0 HD11 LEU B 11 7.594 -4.525 3.925 1.00 0.00 H new ATOM 0 HD12 LEU B 11 6.648 -4.478 5.432 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.839 -4.815 3.883 1.00 0.00 H new ATOM 0 HD21 LEU B 11 7.443 -2.661 2.288 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.677 -2.828 2.137 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.386 -1.266 2.609 1.00 0.00 H new ATOM 752 N LYS B 12 3.343 -0.154 6.724 1.00 0.00 N ATOM 753 CA LYS B 12 2.082 0.209 7.350 1.00 0.00 C ATOM 754 C LYS B 12 1.741 1.658 6.998 1.00 0.00 C ATOM 755 O LYS B 12 0.547 1.966 6.863 1.00 0.00 O ATOM 756 CB LYS B 12 2.136 -0.062 8.855 1.00 0.00 C ATOM 757 CG LYS B 12 1.145 0.829 9.608 1.00 0.00 C ATOM 758 CD LYS B 12 1.784 2.169 9.981 1.00 0.00 C ATOM 759 CE LYS B 12 1.537 2.503 11.453 1.00 0.00 C ATOM 760 NZ LYS B 12 1.652 3.953 11.678 1.00 0.00 N ATOM 0 H LYS B 12 4.141 -0.156 7.359 1.00 0.00 H new ATOM 0 HA LYS B 12 1.272 -0.411 6.965 1.00 0.00 H new ATOM 0 HB2 LYS B 12 1.908 -1.110 9.048 1.00 0.00 H new ATOM 0 HB3 LYS B 12 3.146 0.117 9.225 1.00 0.00 H new ATOM 0 HG2 LYS B 12 0.264 1.002 8.990 1.00 0.00 H new ATOM 0 HG3 LYS B 12 0.806 0.320 10.510 1.00 0.00 H new ATOM 0 HD2 LYS B 12 2.856 2.131 9.788 1.00 0.00 H new ATOM 0 HD3 LYS B 12 1.375 2.959 9.351 1.00 0.00 H new ATOM 0 HE2 LYS B 12 0.545 2.161 11.748 1.00 0.00 H new ATOM 0 HE3 LYS B 12 2.256 1.974 12.078 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 2.337 4.133 12.439 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 1.976 4.415 10.804 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 0.724 4.337 11.950 1.00 0.00 H new ATOM 774 N LEU B 13 2.777 2.504 6.857 1.00 0.00 N ATOM 775 CA LEU B 13 2.588 3.905 6.522 1.00 0.00 C ATOM 776 C LEU B 13 2.206 4.026 5.046 1.00 0.00 C ATOM 777 O LEU B 13 1.290 4.800 4.734 1.00 0.00 O ATOM 778 CB LEU B 13 3.823 4.720 6.908 1.00 0.00 C ATOM 779 CG LEU B 13 3.616 6.230 7.048 1.00 0.00 C ATOM 780 CD1 LEU B 13 4.916 6.989 6.779 1.00 0.00 C ATOM 781 CD2 LEU B 13 2.475 6.711 6.149 1.00 0.00 C ATOM 0 H LEU B 13 3.752 2.229 6.973 1.00 0.00 H new ATOM 0 HA LEU B 13 1.765 4.327 7.099 1.00 0.00 H new ATOM 0 HB2 LEU B 13 4.205 4.337 7.854 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.596 4.548 6.159 1.00 0.00 H new ATOM 0 HG LEU B 13 3.327 6.442 8.078 1.00 0.00 H new ATOM 0 HD11 LEU B 13 4.741 8.060 6.885 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.676 6.673 7.493 1.00 0.00 H new ATOM 0 HD13 LEU B 13 5.259 6.776 5.766 1.00 0.00 H new ATOM 0 HD21 LEU B 13 2.348 7.787 6.267 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.711 6.485 5.109 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.552 6.204 6.430 1.00 0.00 H new ATOM 793 N ASP B 14 2.907 3.271 4.180 1.00 0.00 N ATOM 794 CA ASP B 14 2.644 3.294 2.751 1.00 0.00 C ATOM 795 C ASP B 14 1.213 2.821 2.493 1.00 0.00 C ATOM 796 O ASP B 14 0.587 3.320 1.546 1.00 0.00 O ATOM 797 CB ASP B 14 3.595 2.359 2.001 1.00 0.00 C ATOM 798 CG ASP B 14 4.132 2.907 0.677 1.00 0.00 C ATOM 799 OD1 ASP B 14 4.289 4.187 0.641 1.00 0.00 O ATOM 800 OD2 ASP B 14 4.387 2.150 -0.271 1.00 0.00 O ATOM 0 H ASP B 14 3.659 2.640 4.457 1.00 0.00 H new ATOM 0 HA ASP B 14 2.789 4.315 2.397 1.00 0.00 H new ATOM 0 HB2 ASP B 14 4.440 2.128 2.650 1.00 0.00 H new ATOM 0 HB3 ASP B 14 3.077 1.420 1.805 1.00 0.00 H new ATOM 805 N ASN B 15 0.730 1.880 3.324 1.00 0.00 N ATOM 806 CA ASN B 15 -0.615 1.346 3.186 1.00 0.00 C ATOM 807 C ASN B 15 -1.630 2.467 3.422 1.00 0.00 C ATOM 808 O ASN B 15 -2.545 2.616 2.598 1.00 0.00 O ATOM 809 CB ASN B 15 -0.878 0.245 4.215 1.00 0.00 C ATOM 810 CG ASN B 15 -1.967 -0.712 3.727 1.00 0.00 C ATOM 811 OD1 ASN B 15 -3.141 -0.562 4.026 1.00 0.00 O ATOM 812 ND2 ASN B 15 -1.515 -1.701 2.962 1.00 0.00 N ATOM 0 H ASN B 15 1.262 1.480 4.097 1.00 0.00 H new ATOM 0 HA ASN B 15 -0.713 0.932 2.182 1.00 0.00 H new ATOM 0 HB2 ASN B 15 0.041 -0.310 4.402 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -1.179 0.692 5.162 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -2.164 -2.393 2.587 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -0.519 -1.768 2.750 1.00 0.00 H new ATOM 819 N TYR B 16 -1.452 3.219 4.522 1.00 0.00 N ATOM 820 CA TYR B 16 -2.385 4.296 4.805 1.00 0.00 C ATOM 821 C TYR B 16 -2.381 5.288 3.639 1.00 0.00 C ATOM 822 O TYR B 16 -3.458 5.810 3.315 1.00 0.00 O ATOM 823 CB TYR B 16 -2.020 4.976 6.138 1.00 0.00 C ATOM 824 CG TYR B 16 -1.893 4.024 7.318 1.00 0.00 C ATOM 825 CD1 TYR B 16 -2.571 2.783 7.313 1.00 0.00 C ATOM 826 CD2 TYR B 16 -1.100 4.381 8.432 1.00 0.00 C ATOM 827 CE1 TYR B 16 -2.453 1.905 8.411 1.00 0.00 C ATOM 828 CE2 TYR B 16 -0.980 3.503 9.530 1.00 0.00 C ATOM 829 CZ TYR B 16 -1.657 2.264 9.521 1.00 0.00 C ATOM 830 OH TYR B 16 -1.539 1.416 10.586 1.00 0.00 O ATOM 0 H TYR B 16 -0.698 3.101 5.199 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.394 3.898 4.909 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.077 5.508 6.014 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.779 5.723 6.370 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -3.181 2.506 6.466 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.584 5.330 8.443 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -2.972 0.958 8.403 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.370 3.779 10.378 1.00 0.00 H new ATOM 0 HH TYR B 16 -1.627 0.490 10.278 1.00 0.00 H new ATOM 840 N HIS B 17 -1.197 5.532 3.050 1.00 0.00 N ATOM 841 CA HIS B 17 -1.066 6.461 1.941 1.00 0.00 C ATOM 842 C HIS B 17 -1.708 5.852 0.692 1.00 0.00 C ATOM 843 O HIS B 17 -2.357 6.595 -0.058 1.00 0.00 O ATOM 844 CB HIS B 17 0.397 6.853 1.724 1.00 0.00 C ATOM 845 CG HIS B 17 0.855 6.748 0.290 1.00 0.00 C ATOM 846 ND1 HIS B 17 0.787 7.807 -0.599 1.00 0.00 N ATOM 847 CD2 HIS B 17 1.389 5.699 -0.401 1.00 0.00 C ATOM 848 CE1 HIS B 17 1.261 7.403 -1.769 1.00 0.00 C ATOM 849 NE2 HIS B 17 1.632 6.096 -1.644 1.00 0.00 N ATOM 0 H HIS B 17 -0.322 5.092 3.333 1.00 0.00 H new ATOM 0 HA HIS B 17 -1.595 7.386 2.171 1.00 0.00 H new ATOM 0 HB2 HIS B 17 0.543 7.877 2.067 1.00 0.00 H new ATOM 0 HB3 HIS B 17 1.029 6.217 2.344 1.00 0.00 H new ATOM 0 HD2 HIS B 17 1.581 4.713 -0.004 1.00 0.00 H new ATOM 0 HE1 HIS B 17 1.340 8.003 -2.664 1.00 0.00 H new ATOM 0 HE2 HIS B 17 2.031 5.519 -2.384 1.00 0.00 H new ATOM 857 N LEU B 18 -1.517 4.535 0.499 1.00 0.00 N ATOM 858 CA LEU B 18 -2.073 3.837 -0.647 1.00 0.00 C ATOM 859 C LEU B 18 -3.596 3.781 -0.515 1.00 0.00 C ATOM 860 O LEU B 18 -4.282 3.934 -1.536 1.00 0.00 O ATOM 861 CB LEU B 18 -1.419 2.462 -0.806 1.00 0.00 C ATOM 862 CG LEU B 18 0.019 2.460 -1.330 1.00 0.00 C ATOM 863 CD1 LEU B 18 0.634 1.063 -1.234 1.00 0.00 C ATOM 864 CD2 LEU B 18 0.085 3.019 -2.752 1.00 0.00 C ATOM 0 H LEU B 18 -0.979 3.942 1.130 1.00 0.00 H new ATOM 0 HA LEU B 18 -1.852 4.379 -1.567 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -1.433 1.961 0.162 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -2.032 1.866 -1.482 1.00 0.00 H new ATOM 0 HG LEU B 18 0.615 3.119 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU B 18 1.656 1.089 -1.613 1.00 0.00 H new ATOM 0 HD12 LEU B 18 0.641 0.739 -0.193 1.00 0.00 H new ATOM 0 HD13 LEU B 18 0.044 0.364 -1.828 1.00 0.00 H new ATOM 0 HD21 LEU B 18 1.118 3.006 -3.100 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -0.528 2.406 -3.413 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -0.287 4.043 -2.758 1.00 0.00 H new ATOM 876 N GLU B 19 -4.086 3.568 0.718 1.00 0.00 N ATOM 877 CA GLU B 19 -5.514 3.494 0.978 1.00 0.00 C ATOM 878 C GLU B 19 -6.141 4.871 0.751 1.00 0.00 C ATOM 879 O GLU B 19 -7.139 4.951 0.018 1.00 0.00 O ATOM 880 CB GLU B 19 -5.804 2.985 2.392 1.00 0.00 C ATOM 881 CG GLU B 19 -6.873 1.892 2.373 1.00 0.00 C ATOM 882 CD GLU B 19 -8.256 2.482 2.094 1.00 0.00 C ATOM 883 OE1 GLU B 19 -8.583 2.774 0.934 1.00 0.00 O ATOM 884 OE2 GLU B 19 -9.005 2.634 3.134 1.00 0.00 O ATOM 0 H GLU B 19 -3.503 3.445 1.546 1.00 0.00 H new ATOM 0 HA GLU B 19 -5.958 2.778 0.287 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -4.888 2.595 2.837 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -6.136 3.812 3.019 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -6.629 1.153 1.610 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -6.882 1.371 3.330 1.00 0.00 H new ATOM 891 N ASN B 20 -5.556 5.909 1.373 1.00 0.00 N ATOM 892 CA ASN B 20 -6.054 7.268 1.240 1.00 0.00 C ATOM 893 C ASN B 20 -5.939 7.708 -0.221 1.00 0.00 C ATOM 894 O ASN B 20 -6.773 8.512 -0.662 1.00 0.00 O ATOM 895 CB ASN B 20 -5.236 8.241 2.092 1.00 0.00 C ATOM 896 CG ASN B 20 -5.842 8.389 3.489 1.00 0.00 C ATOM 897 OD1 ASN B 20 -7.045 8.312 3.683 1.00 0.00 O ATOM 898 ND2 ASN B 20 -4.946 8.604 4.448 1.00 0.00 N ATOM 0 H ASN B 20 -4.735 5.821 1.972 1.00 0.00 H new ATOM 0 HA ASN B 20 -7.092 7.281 1.574 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -4.209 7.884 2.173 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -5.198 9.215 1.603 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -5.251 8.716 5.415 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -3.954 8.657 4.217 1.00 0.00 H new ATOM 905 N GLU B 21 -4.925 7.179 -0.930 1.00 0.00 N ATOM 906 CA GLU B 21 -4.706 7.516 -2.327 1.00 0.00 C ATOM 907 C GLU B 21 -5.664 6.701 -3.200 1.00 0.00 C ATOM 908 O GLU B 21 -6.074 7.205 -4.254 1.00 0.00 O ATOM 909 CB GLU B 21 -3.252 7.280 -2.741 1.00 0.00 C ATOM 910 CG GLU B 21 -2.965 7.900 -4.110 1.00 0.00 C ATOM 911 CD GLU B 21 -1.612 7.432 -4.650 1.00 0.00 C ATOM 912 OE1 GLU B 21 -0.897 6.683 -3.966 1.00 0.00 O ATOM 913 OE2 GLU B 21 -1.311 7.874 -5.823 1.00 0.00 O ATOM 0 H GLU B 21 -4.250 6.517 -0.548 1.00 0.00 H new ATOM 0 HA GLU B 21 -4.907 8.578 -2.466 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.583 7.710 -1.995 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.048 6.210 -2.772 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.754 7.626 -4.810 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -2.973 8.987 -4.030 1.00 0.00 H new ATOM 920 N VAL B 22 -5.994 5.477 -2.749 1.00 0.00 N ATOM 921 CA VAL B 22 -6.894 4.603 -3.483 1.00 0.00 C ATOM 922 C VAL B 22 -8.336 5.065 -3.267 1.00 0.00 C ATOM 923 O VAL B 22 -9.123 5.012 -4.224 1.00 0.00 O ATOM 924 CB VAL B 22 -6.663 3.148 -3.070 1.00 0.00 C ATOM 925 CG1 VAL B 22 -7.963 2.344 -3.147 1.00 0.00 C ATOM 926 CG2 VAL B 22 -5.567 2.503 -3.921 1.00 0.00 C ATOM 0 H VAL B 22 -5.644 5.081 -1.877 1.00 0.00 H new ATOM 0 HA VAL B 22 -6.692 4.659 -4.553 1.00 0.00 H new ATOM 0 HB VAL B 22 -6.327 3.143 -2.033 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -7.772 1.313 -2.849 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -8.703 2.784 -2.478 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -8.342 2.361 -4.169 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -5.423 1.469 -3.606 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -5.861 2.525 -4.970 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -4.635 3.054 -3.793 1.00 0.00 H new ATOM 936 N ALA B 23 -8.650 5.501 -2.034 1.00 0.00 N ATOM 937 CA ALA B 23 -9.985 5.967 -1.699 1.00 0.00 C ATOM 938 C ALA B 23 -10.246 7.301 -2.401 1.00 0.00 C ATOM 939 O ALA B 23 -11.421 7.662 -2.562 1.00 0.00 O ATOM 940 CB ALA B 23 -10.070 6.249 -0.197 1.00 0.00 C ATOM 0 H ALA B 23 -7.988 5.536 -1.259 1.00 0.00 H new ATOM 0 HA ALA B 23 -10.703 5.205 -2.002 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -11.072 6.598 0.051 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -9.856 5.335 0.357 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -9.342 7.015 0.071 1.00 0.00 H new ATOM 946 N ARG B 24 -9.164 7.996 -2.796 1.00 0.00 N ATOM 947 CA ARG B 24 -9.276 9.276 -3.474 1.00 0.00 C ATOM 948 C ARG B 24 -9.323 9.046 -4.986 1.00 0.00 C ATOM 949 O ARG B 24 -9.912 9.879 -5.691 1.00 0.00 O ATOM 950 CB ARG B 24 -8.099 10.194 -3.141 1.00 0.00 C ATOM 951 CG ARG B 24 -8.383 11.018 -1.884 1.00 0.00 C ATOM 952 CD ARG B 24 -7.154 11.831 -1.470 1.00 0.00 C ATOM 953 NE ARG B 24 -7.544 13.232 -1.197 1.00 0.00 N ATOM 954 CZ ARG B 24 -7.476 14.228 -2.106 1.00 0.00 C ATOM 955 NH1 ARG B 24 -7.031 13.953 -3.340 1.00 0.00 N ATOM 956 NH2 ARG B 24 -7.848 15.473 -1.780 1.00 0.00 N ATOM 0 H ARG B 24 -8.205 7.681 -2.651 1.00 0.00 H new ATOM 0 HA ARG B 24 -10.191 9.760 -3.133 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -7.199 9.597 -2.993 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -7.905 10.861 -3.981 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -9.222 11.689 -2.067 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -8.676 10.356 -1.070 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -6.699 11.392 -0.582 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -6.404 11.801 -2.261 1.00 0.00 H new ATOM 0 HE ARG B 24 -7.886 13.460 -0.263 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -6.750 13.003 -3.581 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -6.974 14.694 -4.038 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -8.186 15.674 -0.839 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -7.793 16.220 -2.473 1.00 0.00 H new ATOM 970 N LEU B 25 -8.711 7.940 -5.446 1.00 0.00 N ATOM 971 CA LEU B 25 -8.684 7.607 -6.860 1.00 0.00 C ATOM 972 C LEU B 25 -9.956 6.835 -7.222 1.00 0.00 C ATOM 973 O LEU B 25 -10.480 7.047 -8.325 1.00 0.00 O ATOM 974 CB LEU B 25 -7.393 6.866 -7.212 1.00 0.00 C ATOM 975 CG LEU B 25 -6.140 7.731 -7.356 1.00 0.00 C ATOM 976 CD1 LEU B 25 -4.897 6.866 -7.568 1.00 0.00 C ATOM 977 CD2 LEU B 25 -6.314 8.767 -8.468 1.00 0.00 C ATOM 0 H LEU B 25 -8.231 7.268 -4.848 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.678 8.514 -7.465 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.206 6.117 -6.443 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -7.549 6.330 -8.148 1.00 0.00 H new ATOM 0 HG LEU B 25 -5.995 8.279 -6.425 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -4.021 7.506 -7.667 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -4.766 6.202 -6.714 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -5.017 6.272 -8.474 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -5.409 9.369 -8.549 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -6.498 8.258 -9.414 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -7.160 9.414 -8.234 1.00 0.00 H new ATOM 989 N LYS B 26 -10.416 5.969 -6.303 1.00 0.00 N ATOM 990 CA LYS B 26 -11.613 5.174 -6.524 1.00 0.00 C ATOM 991 C LYS B 26 -12.825 6.103 -6.624 1.00 0.00 C ATOM 992 O LYS B 26 -13.813 5.716 -7.263 1.00 0.00 O ATOM 993 CB LYS B 26 -11.749 4.099 -5.444 1.00 0.00 C ATOM 994 CG LYS B 26 -10.804 2.926 -5.715 1.00 0.00 C ATOM 995 CD LYS B 26 -11.538 1.590 -5.587 1.00 0.00 C ATOM 996 CE LYS B 26 -12.543 1.405 -6.726 1.00 0.00 C ATOM 997 NZ LYS B 26 -12.938 -0.008 -6.840 1.00 0.00 N ATOM 0 H LYS B 26 -9.968 5.809 -5.401 1.00 0.00 H new ATOM 0 HA LYS B 26 -11.544 4.636 -7.469 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.529 4.530 -4.467 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -12.778 3.741 -5.410 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -10.381 3.018 -6.715 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -9.971 2.956 -5.013 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -10.817 0.773 -5.597 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.056 1.546 -4.629 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -13.424 2.022 -6.546 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -12.104 1.743 -7.665 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -13.620 -0.116 -7.618 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -12.097 -0.589 -7.034 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -13.376 -0.319 -5.949 1.00 0.00 H new ATOM 1011 N LYS B 27 -12.727 7.290 -6.000 1.00 0.00 N ATOM 1012 CA LYS B 27 -13.807 8.263 -6.019 1.00 0.00 C ATOM 1013 C LYS B 27 -13.797 9.004 -7.356 1.00 0.00 C ATOM 1014 O LYS B 27 -14.770 9.718 -7.642 1.00 0.00 O ATOM 1015 CB LYS B 27 -13.718 9.186 -4.802 1.00 0.00 C ATOM 1016 CG LYS B 27 -15.094 9.388 -4.165 1.00 0.00 C ATOM 1017 CD LYS B 27 -14.974 9.590 -2.654 1.00 0.00 C ATOM 1018 CE LYS B 27 -13.955 10.682 -2.324 1.00 0.00 C ATOM 1019 NZ LYS B 27 -13.659 10.695 -0.882 1.00 0.00 N ATOM 0 H LYS B 27 -11.904 7.589 -5.478 1.00 0.00 H new ATOM 0 HA LYS B 27 -14.772 7.763 -5.940 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -13.033 8.761 -4.068 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -13.307 10.150 -5.102 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -15.583 10.253 -4.613 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -15.725 8.523 -4.371 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -15.946 9.859 -2.242 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -14.675 8.654 -2.181 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -13.037 10.513 -2.888 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -14.343 11.654 -2.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -12.966 11.442 -0.677 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -14.533 10.878 -0.350 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -13.268 9.773 -0.599 1.00 0.00 H new ATOM 1033 N LEU B 28 -12.717 8.824 -8.138 1.00 0.00 N ATOM 1034 CA LEU B 28 -12.585 9.471 -9.432 1.00 0.00 C ATOM 1035 C LEU B 28 -12.736 8.425 -10.538 1.00 0.00 C ATOM 1036 O LEU B 28 -13.273 8.765 -11.601 1.00 0.00 O ATOM 1037 CB LEU B 28 -11.277 10.260 -9.505 1.00 0.00 C ATOM 1038 CG LEU B 28 -11.388 11.696 -10.022 1.00 0.00 C ATOM 1039 CD1 LEU B 28 -11.658 12.672 -8.875 1.00 0.00 C ATOM 1040 CD2 LEU B 28 -10.146 12.087 -10.825 1.00 0.00 C ATOM 0 H LEU B 28 -11.927 8.231 -7.884 1.00 0.00 H new ATOM 0 HA LEU B 28 -13.380 10.203 -9.575 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -10.836 10.287 -8.509 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -10.583 9.717 -10.146 1.00 0.00 H new ATOM 0 HG LEU B 28 -12.240 11.750 -10.699 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -11.732 13.685 -9.269 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -12.593 12.405 -8.382 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -10.841 12.622 -8.155 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -10.251 13.112 -11.181 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -9.263 12.012 -10.190 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -10.038 11.416 -11.677 1.00 0.00 H new ATOM 1052 N VAL B 29 -12.266 7.193 -10.270 1.00 0.00 N ATOM 1053 CA VAL B 29 -12.347 6.111 -11.236 1.00 0.00 C ATOM 1054 C VAL B 29 -13.411 5.108 -10.783 1.00 0.00 C ATOM 1055 O VAL B 29 -14.426 4.969 -11.479 1.00 0.00 O ATOM 1056 CB VAL B 29 -10.969 5.476 -11.429 1.00 0.00 C ATOM 1057 CG1 VAL B 29 -10.927 4.636 -12.707 1.00 0.00 C ATOM 1058 CG2 VAL B 29 -9.871 6.541 -11.436 1.00 0.00 C ATOM 0 H VAL B 29 -11.827 6.934 -9.387 1.00 0.00 H new ATOM 0 HA VAL B 29 -12.653 6.491 -12.211 1.00 0.00 H new ATOM 0 HB VAL B 29 -10.785 4.811 -10.585 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -9.936 4.196 -12.821 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -11.672 3.843 -12.646 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -11.143 5.270 -13.567 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -8.901 6.063 -11.575 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -10.050 7.242 -12.251 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -9.879 7.078 -10.487 1.00 0.00 H new ATOM 1068 N GLY B 30 -13.159 4.439 -9.643 1.00 0.00 N ATOM 1069 CA GLY B 30 -14.087 3.460 -9.104 1.00 0.00 C ATOM 1070 C GLY B 30 -15.472 4.096 -8.971 1.00 0.00 C ATOM 1071 O GLY B 30 -16.434 3.362 -8.700 1.00 0.00 O ATOM 0 H GLY B 30 -12.315 4.568 -9.085 1.00 0.00 H new ATOM 0 HA2 GLY B 30 -14.135 2.589 -9.758 1.00 0.00 H new ATOM 0 HA3 GLY B 30 -13.740 3.110 -8.132 1.00 0.00 H new ATOM 1075 N GLU B 31 -15.546 5.425 -9.161 1.00 0.00 N ATOM 1076 CA GLU B 31 -16.802 6.149 -9.063 1.00 0.00 C ATOM 1077 C GLU B 31 -17.785 5.597 -10.097 1.00 0.00 C ATOM 1078 O GLU B 31 -17.463 5.629 -11.294 1.00 0.00 O ATOM 1079 CB GLU B 31 -16.599 7.653 -9.247 1.00 0.00 C ATOM 1080 CG GLU B 31 -17.338 8.443 -8.166 1.00 0.00 C ATOM 1081 CD GLU B 31 -17.649 9.865 -8.639 1.00 0.00 C ATOM 1082 OE1 GLU B 31 -18.058 9.955 -9.858 1.00 0.00 O ATOM 1083 OE2 GLU B 31 -17.499 10.822 -7.866 1.00 0.00 O ATOM 0 H GLU B 31 -14.741 6.011 -9.384 1.00 0.00 H new ATOM 0 HA GLU B 31 -17.212 6.005 -8.064 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -15.535 7.887 -9.210 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -16.957 7.954 -10.231 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -18.265 7.932 -7.907 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -16.732 8.482 -7.261 1.00 0.00 H new ATOM 1090 N ARG B 32 -18.947 5.110 -9.624 1.00 0.00 N ATOM 1091 CA ARG B 32 -19.965 4.558 -10.502 1.00 0.00 C ATOM 1092 C ARG B 32 -20.142 5.478 -11.713 1.00 0.00 C ATOM 1093 O ARG B 32 -20.785 6.521 -11.614 1.00 0.00 O ATOM 1094 CB ARG B 32 -21.308 4.409 -9.784 1.00 0.00 C ATOM 1095 CG ARG B 32 -21.107 4.216 -8.280 1.00 0.00 C ATOM 1096 CD ARG B 32 -20.205 3.013 -7.998 1.00 0.00 C ATOM 1097 NE ARG B 32 -20.438 1.957 -9.009 1.00 0.00 N ATOM 1098 CZ ARG B 32 -21.313 0.941 -8.854 1.00 0.00 C ATOM 1099 NH1 ARG B 32 -22.027 0.865 -7.723 1.00 0.00 N ATOM 1100 NH2 ARG B 32 -21.467 0.023 -9.818 1.00 0.00 N ATOM 0 H ARG B 32 -19.194 5.093 -8.634 1.00 0.00 H new ATOM 0 HA ARG B 32 -19.637 3.568 -10.819 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -21.920 5.293 -9.962 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -21.851 3.558 -10.194 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -20.665 5.115 -7.850 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -22.073 4.072 -7.796 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -19.159 3.320 -8.015 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -20.406 2.623 -7.000 1.00 0.00 H new ATOM 0 HE ARG B 32 -19.904 2.000 -9.877 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -21.905 1.569 -6.995 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -22.692 0.103 -7.590 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -20.921 0.089 -10.677 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -22.130 -0.742 -9.693 1.00 0.00 H new TER 1114 ARG B 32