USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 557 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 THR OG1 : rot 144:sc= 1.84 USER MOD Set 1.2: A 22 LYS NZ :NH3+ -162:sc= 1.99 (180deg=0.55) USER MOD Set 1.3: A 81 SER OG : rot 0:sc= -0.141! USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.194 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0503) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 64:sc= 0.992 USER MOD Single : A 17 GLN : amide:sc=-0.00907 X(o=-0.0091,f=0) USER MOD Single : A 24 GLN : amide:sc= -1.56 K(o=-1.6,f=-2.3!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.183 K(o=-0.18,f=-2.6!) USER MOD Single : A 31 MET CE :methyl -133:sc= -3.42! (180deg=-4.77!) USER MOD Single : A 33 HIS : no HD1:sc= -6.36! C(o=-6.4!,f=-10!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 72:sc= -0.0266 USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -4.9! C(o=-4.9!,f=-6.5!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 120:sc= -1.2 USER MOD Single : A 50 TYR OH : rot -147:sc= 0.63 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 86:sc= 1.07 USER MOD Single : A 84 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.104) USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 2 21.434 -4.712 -6.693 1.00 0.00 N ATOM 18 CA LYS A 2 20.058 -4.752 -6.118 1.00 0.00 C ATOM 19 C LYS A 2 19.730 -3.418 -5.443 1.00 0.00 C ATOM 20 O LYS A 2 19.915 -3.250 -4.253 1.00 0.00 O ATOM 21 CB LYS A 2 20.089 -5.880 -5.086 1.00 0.00 C ATOM 22 CG LYS A 2 21.363 -5.775 -4.247 1.00 0.00 C ATOM 23 CD LYS A 2 21.331 -6.829 -3.139 1.00 0.00 C ATOM 24 CE LYS A 2 22.423 -6.526 -2.112 1.00 0.00 C ATOM 25 NZ LYS A 2 23.423 -7.616 -2.280 1.00 0.00 N ATOM 0 HA LYS A 2 19.298 -4.920 -6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 2 19.212 -5.821 -4.442 1.00 0.00 H new ATOM 0 HB3 LYS A 2 20.051 -6.847 -5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 2 22.240 -5.921 -4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 2 21.445 -4.778 -3.813 1.00 0.00 H new ATOM 0 HD2 LYS A 2 20.354 -6.834 -2.656 1.00 0.00 H new ATOM 0 HD3 LYS A 2 21.482 -7.822 -3.563 1.00 0.00 H new ATOM 0 HE2 LYS A 2 22.871 -5.548 -2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 2 22.020 -6.513 -1.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 24.204 -7.477 -1.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 22.970 -8.534 -2.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 23.795 -7.600 -3.251 1.00 0.00 H new ATOM 39 N ALA A 3 19.246 -2.467 -6.193 1.00 0.00 N ATOM 40 CA ALA A 3 18.908 -1.143 -5.597 1.00 0.00 C ATOM 41 C ALA A 3 17.532 -1.198 -4.928 1.00 0.00 C ATOM 42 O ALA A 3 16.638 -1.887 -5.379 1.00 0.00 O ATOM 43 CB ALA A 3 18.889 -0.171 -6.777 1.00 0.00 C ATOM 0 H ALA A 3 19.070 -2.549 -7.194 1.00 0.00 H new ATOM 0 HA ALA A 3 19.622 -0.842 -4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 3 18.647 0.830 -6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 3 19.869 -0.159 -7.254 1.00 0.00 H new ATOM 0 HB3 ALA A 3 18.138 -0.490 -7.499 1.00 0.00 H new ATOM 49 N SER A 4 17.355 -0.478 -3.855 1.00 0.00 N ATOM 50 CA SER A 4 16.035 -0.487 -3.160 1.00 0.00 C ATOM 51 C SER A 4 14.979 0.200 -4.030 1.00 0.00 C ATOM 52 O SER A 4 15.152 0.357 -5.220 1.00 0.00 O ATOM 53 CB SER A 4 16.263 0.301 -1.870 1.00 0.00 C ATOM 54 OG SER A 4 17.430 1.100 -2.007 1.00 0.00 O ATOM 0 H SER A 4 18.066 0.116 -3.429 1.00 0.00 H new ATOM 0 HA SER A 4 15.677 -1.497 -2.962 1.00 0.00 H new ATOM 0 HB2 SER A 4 15.400 0.932 -1.658 1.00 0.00 H new ATOM 0 HB3 SER A 4 16.373 -0.382 -1.028 1.00 0.00 H new ATOM 0 HG SER A 4 17.578 1.608 -1.182 1.00 0.00 H new ATOM 60 N CYS A 5 13.889 0.613 -3.445 1.00 0.00 N ATOM 61 CA CYS A 5 12.828 1.290 -4.244 1.00 0.00 C ATOM 62 C CYS A 5 12.634 2.728 -3.753 1.00 0.00 C ATOM 63 O CYS A 5 13.453 3.264 -3.033 1.00 0.00 O ATOM 64 CB CYS A 5 11.561 0.471 -3.998 1.00 0.00 C ATOM 65 SG CYS A 5 11.543 -0.972 -5.092 1.00 0.00 S ATOM 0 H CYS A 5 13.687 0.512 -2.450 1.00 0.00 H new ATOM 0 HA CYS A 5 13.082 1.343 -5.303 1.00 0.00 H new ATOM 0 HB2 CYS A 5 11.520 0.150 -2.957 1.00 0.00 H new ATOM 0 HB3 CYS A 5 10.679 1.086 -4.177 1.00 0.00 H new ATOM 70 N LYS A 6 11.555 3.352 -4.133 1.00 0.00 N ATOM 71 CA LYS A 6 11.302 4.752 -3.684 1.00 0.00 C ATOM 72 C LYS A 6 9.875 4.875 -3.147 1.00 0.00 C ATOM 73 O LYS A 6 8.920 4.847 -3.896 1.00 0.00 O ATOM 74 CB LYS A 6 11.479 5.610 -4.938 1.00 0.00 C ATOM 75 CG LYS A 6 12.867 6.253 -4.929 1.00 0.00 C ATOM 76 CD LYS A 6 13.729 5.620 -6.023 1.00 0.00 C ATOM 77 CE LYS A 6 13.798 6.561 -7.227 1.00 0.00 C ATOM 78 NZ LYS A 6 14.717 5.889 -8.187 1.00 0.00 N ATOM 0 H LYS A 6 10.835 2.954 -4.736 1.00 0.00 H new ATOM 0 HA LYS A 6 11.975 5.061 -2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.357 4.996 -5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.710 6.382 -4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.783 7.327 -5.093 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.337 6.115 -3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.732 5.424 -5.643 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.309 4.660 -6.322 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.812 6.714 -7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.175 7.543 -6.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.816 6.474 -9.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.650 5.762 -7.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.328 4.960 -8.447 1.00 0.00 H new ATOM 92 N LEU A 7 9.726 5.005 -1.854 1.00 0.00 N ATOM 93 CA LEU A 7 8.361 5.128 -1.258 1.00 0.00 C ATOM 94 C LEU A 7 7.455 5.978 -2.161 1.00 0.00 C ATOM 95 O LEU A 7 7.524 7.190 -2.134 1.00 0.00 O ATOM 96 CB LEU A 7 8.577 5.826 0.086 1.00 0.00 C ATOM 97 CG LEU A 7 9.491 7.036 -0.109 1.00 0.00 C ATOM 98 CD1 LEU A 7 8.723 8.317 0.224 1.00 0.00 C ATOM 99 CD2 LEU A 7 10.701 6.913 0.820 1.00 0.00 C ATOM 0 H LEU A 7 10.493 5.031 -1.183 1.00 0.00 H new ATOM 0 HA LEU A 7 7.875 4.159 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.620 6.143 0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.021 5.133 0.801 1.00 0.00 H new ATOM 0 HG LEU A 7 9.827 7.074 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.375 9.179 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.859 8.405 -0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.386 8.280 1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 7 11.354 7.775 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.362 6.876 1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.249 6.001 0.584 1.00 0.00 H new ATOM 111 N PRO A 8 6.633 5.313 -2.939 1.00 0.00 N ATOM 112 CA PRO A 8 5.713 6.023 -3.858 1.00 0.00 C ATOM 113 C PRO A 8 4.746 6.917 -3.072 1.00 0.00 C ATOM 114 O PRO A 8 4.275 7.920 -3.567 1.00 0.00 O ATOM 115 CB PRO A 8 4.976 4.872 -4.552 1.00 0.00 C ATOM 116 CG PRO A 8 5.510 3.537 -4.002 1.00 0.00 C ATOM 117 CD PRO A 8 6.580 3.832 -2.943 1.00 0.00 C ATOM 0 HA PRO A 8 6.218 6.689 -4.558 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.903 4.950 -4.376 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.127 4.923 -5.630 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.697 2.956 -3.566 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.932 2.938 -4.809 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.304 3.434 -1.967 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.542 3.393 -3.206 1.00 0.00 H new ATOM 125 N VAL A 9 4.455 6.566 -1.848 1.00 0.00 N ATOM 126 CA VAL A 9 3.527 7.405 -1.034 1.00 0.00 C ATOM 127 C VAL A 9 4.158 7.715 0.327 1.00 0.00 C ATOM 128 O VAL A 9 5.002 6.987 0.809 1.00 0.00 O ATOM 129 CB VAL A 9 2.263 6.564 -0.859 1.00 0.00 C ATOM 130 CG1 VAL A 9 1.110 7.466 -0.411 1.00 0.00 C ATOM 131 CG2 VAL A 9 1.899 5.901 -2.189 1.00 0.00 C ATOM 0 H VAL A 9 4.818 5.737 -1.377 1.00 0.00 H new ATOM 0 HA VAL A 9 3.310 8.359 -1.514 1.00 0.00 H new ATOM 0 HB VAL A 9 2.441 5.796 -0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.208 6.868 -0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.366 7.940 0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.935 8.234 -1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.997 5.302 -2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.721 6.669 -2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.719 5.259 -2.512 1.00 0.00 H new ATOM 141 N LYS A 10 3.760 8.791 0.949 1.00 0.00 N ATOM 142 CA LYS A 10 4.343 9.143 2.276 1.00 0.00 C ATOM 143 C LYS A 10 3.458 8.617 3.410 1.00 0.00 C ATOM 144 O LYS A 10 3.682 8.905 4.568 1.00 0.00 O ATOM 145 CB LYS A 10 4.387 10.672 2.297 1.00 0.00 C ATOM 146 CG LYS A 10 5.811 11.139 2.602 1.00 0.00 C ATOM 147 CD LYS A 10 6.748 10.692 1.477 1.00 0.00 C ATOM 148 CE LYS A 10 7.047 11.880 0.560 1.00 0.00 C ATOM 149 NZ LYS A 10 8.520 12.086 0.663 1.00 0.00 N ATOM 0 H LYS A 10 3.057 9.441 0.597 1.00 0.00 H new ATOM 0 HA LYS A 10 5.330 8.702 2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.061 11.069 1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.698 11.056 3.050 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.836 12.224 2.700 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.145 10.725 3.553 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.675 10.300 1.896 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.289 9.885 0.906 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.749 11.670 -0.467 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.501 12.769 0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.776 12.989 0.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.799 12.105 1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.014 11.308 0.181 1.00 0.00 H new ATOM 163 N LYS A 11 2.455 7.847 3.087 1.00 0.00 N ATOM 164 CA LYS A 11 1.560 7.307 4.151 1.00 0.00 C ATOM 165 C LYS A 11 0.793 6.087 3.634 1.00 0.00 C ATOM 166 O LYS A 11 -0.377 5.915 3.911 1.00 0.00 O ATOM 167 CB LYS A 11 0.597 8.447 4.477 1.00 0.00 C ATOM 168 CG LYS A 11 -0.266 8.754 3.252 1.00 0.00 C ATOM 169 CD LYS A 11 -1.724 8.925 3.683 1.00 0.00 C ATOM 170 CE LYS A 11 -1.932 10.340 4.229 1.00 0.00 C ATOM 171 NZ LYS A 11 -2.445 10.144 5.613 1.00 0.00 N ATOM 0 H LYS A 11 2.217 7.569 2.135 1.00 0.00 H new ATOM 0 HA LYS A 11 2.117 6.980 5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.036 8.172 5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.155 9.335 4.773 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.088 9.661 2.763 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.183 7.947 2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.388 8.749 2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.978 8.189 4.445 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.000 10.905 4.229 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.642 10.898 3.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.613 11.070 6.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.336 9.609 5.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.745 9.615 6.171 1.00 0.00 H new ATOM 185 N ALA A 12 1.442 5.239 2.883 1.00 0.00 N ATOM 186 CA ALA A 12 0.744 4.033 2.350 1.00 0.00 C ATOM 187 C ALA A 12 0.880 2.863 3.329 1.00 0.00 C ATOM 188 O ALA A 12 1.947 2.587 3.839 1.00 0.00 O ATOM 189 CB ALA A 12 1.452 3.715 1.033 1.00 0.00 C ATOM 0 H ALA A 12 2.422 5.328 2.616 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.323 4.204 2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.995 2.837 0.577 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.360 4.564 0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.506 3.517 1.225 1.00 0.00 H new ATOM 195 N THR A 13 -0.196 2.172 3.593 1.00 0.00 N ATOM 196 CA THR A 13 -0.132 1.018 4.536 1.00 0.00 C ATOM 197 C THR A 13 -0.063 -0.296 3.755 1.00 0.00 C ATOM 198 O THR A 13 -1.044 -0.753 3.204 1.00 0.00 O ATOM 199 CB THR A 13 -1.427 1.092 5.345 1.00 0.00 C ATOM 200 OG1 THR A 13 -1.968 2.402 5.255 1.00 0.00 O ATOM 201 CG2 THR A 13 -1.134 0.756 6.808 1.00 0.00 C ATOM 0 H THR A 13 -1.117 2.357 3.196 1.00 0.00 H new ATOM 0 HA THR A 13 0.750 1.056 5.176 1.00 0.00 H new ATOM 0 HB THR A 13 -2.146 0.376 4.947 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.946 2.351 5.226 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.057 0.809 7.385 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.721 -0.251 6.875 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.414 1.470 7.208 1.00 0.00 H new ATOM 209 N VAL A 14 1.088 -0.906 3.703 1.00 0.00 N ATOM 210 CA VAL A 14 1.218 -2.188 2.955 1.00 0.00 C ATOM 211 C VAL A 14 1.283 -3.366 3.930 1.00 0.00 C ATOM 212 O VAL A 14 1.519 -3.196 5.110 1.00 0.00 O ATOM 213 CB VAL A 14 2.527 -2.062 2.179 1.00 0.00 C ATOM 214 CG1 VAL A 14 2.472 -0.823 1.283 1.00 0.00 C ATOM 215 CG2 VAL A 14 3.690 -1.925 3.166 1.00 0.00 C ATOM 0 H VAL A 14 1.944 -0.573 4.146 1.00 0.00 H new ATOM 0 HA VAL A 14 0.369 -2.369 2.296 1.00 0.00 H new ATOM 0 HB VAL A 14 2.672 -2.949 1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.406 -0.733 0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.642 -0.917 0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.328 0.065 1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.626 -1.835 2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.543 -1.036 3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.729 -2.806 3.806 1.00 0.00 H new ATOM 225 N VAL A 15 1.076 -4.560 3.447 1.00 0.00 N ATOM 226 CA VAL A 15 1.127 -5.748 4.348 1.00 0.00 C ATOM 227 C VAL A 15 2.373 -6.588 4.050 1.00 0.00 C ATOM 228 O VAL A 15 2.455 -7.258 3.040 1.00 0.00 O ATOM 229 CB VAL A 15 -0.141 -6.541 4.031 1.00 0.00 C ATOM 230 CG1 VAL A 15 -0.304 -7.669 5.050 1.00 0.00 C ATOM 231 CG2 VAL A 15 -1.354 -5.610 4.102 1.00 0.00 C ATOM 0 H VAL A 15 0.874 -4.765 2.469 1.00 0.00 H new ATOM 0 HA VAL A 15 1.180 -5.465 5.399 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.065 -6.964 3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.208 -8.235 4.825 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.560 -8.331 5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.381 -7.246 6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.259 -6.174 3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.430 -5.187 5.104 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.238 -4.805 3.377 1.00 0.00 H new ATOM 241 N TYR A 16 3.341 -6.559 4.925 1.00 0.00 N ATOM 242 CA TYR A 16 4.579 -7.359 4.692 1.00 0.00 C ATOM 243 C TYR A 16 4.343 -8.821 5.074 1.00 0.00 C ATOM 244 O TYR A 16 3.285 -9.372 4.839 1.00 0.00 O ATOM 245 CB TYR A 16 5.636 -6.729 5.599 1.00 0.00 C ATOM 246 CG TYR A 16 6.971 -6.739 4.894 1.00 0.00 C ATOM 247 CD1 TYR A 16 7.057 -6.338 3.555 1.00 0.00 C ATOM 248 CD2 TYR A 16 8.121 -7.152 5.576 1.00 0.00 C ATOM 249 CE1 TYR A 16 8.293 -6.349 2.898 1.00 0.00 C ATOM 250 CE2 TYR A 16 9.358 -7.162 4.919 1.00 0.00 C ATOM 251 CZ TYR A 16 9.444 -6.761 3.580 1.00 0.00 C ATOM 252 OH TYR A 16 10.661 -6.772 2.933 1.00 0.00 O ATOM 0 H TYR A 16 3.329 -6.018 5.789 1.00 0.00 H new ATOM 0 HA TYR A 16 4.885 -7.351 3.646 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.353 -5.707 5.851 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.703 -7.281 6.536 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.169 -6.020 3.029 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.055 -7.463 6.608 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.359 -6.040 1.865 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.246 -7.479 5.445 1.00 0.00 H new ATOM 0 HH TYR A 16 10.906 -5.857 2.681 1.00 0.00 H new ATOM 262 N GLN A 17 5.321 -9.455 5.659 1.00 0.00 N ATOM 263 CA GLN A 17 5.158 -10.883 6.055 1.00 0.00 C ATOM 264 C GLN A 17 4.074 -11.022 7.128 1.00 0.00 C ATOM 265 O GLN A 17 4.348 -11.373 8.260 1.00 0.00 O ATOM 266 CB GLN A 17 6.520 -11.297 6.613 1.00 0.00 C ATOM 267 CG GLN A 17 7.550 -11.307 5.483 1.00 0.00 C ATOM 268 CD GLN A 17 7.575 -12.688 4.826 1.00 0.00 C ATOM 269 OE1 GLN A 17 7.159 -12.844 3.696 1.00 0.00 O ATOM 270 NE2 GLN A 17 8.048 -13.705 5.493 1.00 0.00 N ATOM 0 H GLN A 17 6.228 -9.045 5.881 1.00 0.00 H new ATOM 0 HA GLN A 17 4.852 -11.508 5.216 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.830 -10.605 7.396 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.454 -12.285 7.068 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.302 -10.546 4.744 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.537 -11.061 5.874 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.398 -13.574 6.442 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.068 -14.631 5.065 1.00 0.00 H new ATOM 279 N GLY A 18 2.844 -10.753 6.783 1.00 0.00 N ATOM 280 CA GLY A 18 1.744 -10.873 7.782 1.00 0.00 C ATOM 281 C GLY A 18 1.822 -9.714 8.778 1.00 0.00 C ATOM 282 O GLY A 18 1.343 -9.807 9.891 1.00 0.00 O ATOM 0 H GLY A 18 2.553 -10.455 5.852 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.778 -10.866 7.276 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.821 -11.824 8.309 1.00 0.00 H new ATOM 286 N GLU A 19 2.421 -8.622 8.389 1.00 0.00 N ATOM 287 CA GLU A 19 2.528 -7.460 9.316 1.00 0.00 C ATOM 288 C GLU A 19 2.121 -6.170 8.600 1.00 0.00 C ATOM 289 O GLU A 19 2.646 -5.835 7.557 1.00 0.00 O ATOM 290 CB GLU A 19 4.002 -7.409 9.717 1.00 0.00 C ATOM 291 CG GLU A 19 4.319 -8.582 10.646 1.00 0.00 C ATOM 292 CD GLU A 19 4.277 -8.109 12.100 1.00 0.00 C ATOM 293 OE1 GLU A 19 3.462 -7.253 12.401 1.00 0.00 O ATOM 294 OE2 GLU A 19 5.060 -8.613 12.888 1.00 0.00 O ATOM 0 H GLU A 19 2.841 -8.484 7.470 1.00 0.00 H new ATOM 0 HA GLU A 19 1.873 -7.561 10.181 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.633 -7.454 8.829 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.221 -6.466 10.217 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.598 -9.385 10.493 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.303 -8.988 10.413 1.00 0.00 H new ATOM 301 N ARG A 20 1.189 -5.444 9.153 1.00 0.00 N ATOM 302 CA ARG A 20 0.748 -4.176 8.504 1.00 0.00 C ATOM 303 C ARG A 20 1.658 -3.021 8.931 1.00 0.00 C ATOM 304 O ARG A 20 2.012 -2.893 10.086 1.00 0.00 O ATOM 305 CB ARG A 20 -0.677 -3.952 9.006 1.00 0.00 C ATOM 306 CG ARG A 20 -1.627 -4.911 8.287 1.00 0.00 C ATOM 307 CD ARG A 20 -2.949 -4.993 9.053 1.00 0.00 C ATOM 308 NE ARG A 20 -3.862 -4.055 8.342 1.00 0.00 N ATOM 309 CZ ARG A 20 -5.154 -4.147 8.510 1.00 0.00 C ATOM 310 NH1 ARG A 20 -5.636 -4.837 9.508 1.00 0.00 N ATOM 311 NH2 ARG A 20 -5.963 -3.552 7.678 1.00 0.00 N ATOM 0 H ARG A 20 0.714 -5.673 10.026 1.00 0.00 H new ATOM 0 HA ARG A 20 0.793 -4.229 7.416 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.725 -4.115 10.083 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.979 -2.920 8.826 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.806 -4.566 7.268 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.175 -5.900 8.214 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.345 -6.008 9.050 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.820 -4.704 10.096 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.478 -3.340 7.724 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.003 -5.305 10.157 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.645 -4.908 9.638 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.587 -3.015 6.897 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.972 -3.623 7.809 1.00 0.00 H new ATOM 325 N VAL A 21 2.039 -2.179 8.009 1.00 0.00 N ATOM 326 CA VAL A 21 2.925 -1.034 8.367 1.00 0.00 C ATOM 327 C VAL A 21 2.841 0.053 7.293 1.00 0.00 C ATOM 328 O VAL A 21 2.381 -0.181 6.193 1.00 0.00 O ATOM 329 CB VAL A 21 4.339 -1.617 8.431 1.00 0.00 C ATOM 330 CG1 VAL A 21 4.529 -2.355 9.757 1.00 0.00 C ATOM 331 CG2 VAL A 21 4.550 -2.594 7.270 1.00 0.00 C ATOM 0 H VAL A 21 1.776 -2.234 7.025 1.00 0.00 H new ATOM 0 HA VAL A 21 2.637 -0.574 9.312 1.00 0.00 H new ATOM 0 HB VAL A 21 5.064 -0.807 8.357 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.536 -2.770 9.802 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.386 -1.660 10.584 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.801 -3.162 9.832 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.558 -3.006 7.320 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.823 -3.403 7.339 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.419 -2.069 6.324 1.00 0.00 H new ATOM 341 N LYS A 22 3.281 1.240 7.605 1.00 0.00 N ATOM 342 CA LYS A 22 3.228 2.342 6.604 1.00 0.00 C ATOM 343 C LYS A 22 4.601 2.523 5.950 1.00 0.00 C ATOM 344 O LYS A 22 5.583 2.807 6.607 1.00 0.00 O ATOM 345 CB LYS A 22 2.835 3.582 7.407 1.00 0.00 C ATOM 346 CG LYS A 22 2.075 4.557 6.505 1.00 0.00 C ATOM 347 CD LYS A 22 0.718 3.958 6.132 1.00 0.00 C ATOM 348 CE LYS A 22 -0.338 4.416 7.141 1.00 0.00 C ATOM 349 NZ LYS A 22 -1.519 4.798 6.317 1.00 0.00 N ATOM 0 H LYS A 22 3.675 1.495 8.511 1.00 0.00 H new ATOM 0 HA LYS A 22 2.522 2.144 5.798 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.214 3.296 8.256 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.725 4.063 7.811 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.935 5.509 7.017 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.654 4.762 5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.435 4.270 5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.779 2.870 6.123 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.587 3.619 7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.020 5.259 7.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.157 5.395 6.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.201 5.325 5.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.024 3.940 6.016 1.00 0.00 H new ATOM 363 N ILE A 23 4.677 2.349 4.658 1.00 0.00 N ATOM 364 CA ILE A 23 5.984 2.498 3.955 1.00 0.00 C ATOM 365 C ILE A 23 6.687 3.794 4.374 1.00 0.00 C ATOM 366 O ILE A 23 7.899 3.875 4.385 1.00 0.00 O ATOM 367 CB ILE A 23 5.630 2.536 2.469 1.00 0.00 C ATOM 368 CG1 ILE A 23 6.916 2.500 1.640 1.00 0.00 C ATOM 369 CG2 ILE A 23 4.859 3.820 2.159 1.00 0.00 C ATOM 370 CD1 ILE A 23 6.566 2.384 0.156 1.00 0.00 C ATOM 0 H ILE A 23 3.888 2.109 4.057 1.00 0.00 H new ATOM 0 HA ILE A 23 6.669 1.685 4.195 1.00 0.00 H new ATOM 0 HB ILE A 23 5.011 1.674 2.220 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.500 3.403 1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.534 1.656 1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.607 3.846 1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.944 3.847 2.750 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.476 4.684 2.407 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.483 2.358 -0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.000 1.468 -0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.965 3.243 -0.144 1.00 0.00 H new ATOM 382 N GLN A 24 5.941 4.809 4.716 1.00 0.00 N ATOM 383 CA GLN A 24 6.582 6.093 5.128 1.00 0.00 C ATOM 384 C GLN A 24 7.683 5.827 6.161 1.00 0.00 C ATOM 385 O GLN A 24 8.584 6.622 6.340 1.00 0.00 O ATOM 386 CB GLN A 24 5.456 6.925 5.742 1.00 0.00 C ATOM 387 CG GLN A 24 4.932 6.227 6.995 1.00 0.00 C ATOM 388 CD GLN A 24 4.271 7.253 7.917 1.00 0.00 C ATOM 389 OE1 GLN A 24 4.866 7.697 8.879 1.00 0.00 O ATOM 390 NE2 GLN A 24 3.054 7.650 7.663 1.00 0.00 N ATOM 0 H GLN A 24 4.921 4.807 4.728 1.00 0.00 H new ATOM 0 HA GLN A 24 7.052 6.606 4.289 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.821 7.921 5.993 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.649 7.054 5.020 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.214 5.455 6.720 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.751 5.730 7.515 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.554 7.278 6.856 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.603 8.333 8.272 1.00 0.00 H new ATOM 399 N GLU A 25 7.617 4.714 6.842 1.00 0.00 N ATOM 400 CA GLU A 25 8.662 4.397 7.860 1.00 0.00 C ATOM 401 C GLU A 25 9.335 3.062 7.532 1.00 0.00 C ATOM 402 O GLU A 25 10.542 2.977 7.409 1.00 0.00 O ATOM 403 CB GLU A 25 7.912 4.303 9.188 1.00 0.00 C ATOM 404 CG GLU A 25 7.432 5.695 9.605 1.00 0.00 C ATOM 405 CD GLU A 25 7.529 5.835 11.125 1.00 0.00 C ATOM 406 OE1 GLU A 25 8.636 5.971 11.619 1.00 0.00 O ATOM 407 OE2 GLU A 25 6.494 5.803 11.771 1.00 0.00 O ATOM 0 H GLU A 25 6.885 4.011 6.738 1.00 0.00 H new ATOM 0 HA GLU A 25 9.448 5.152 7.888 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.062 3.628 9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.563 3.886 9.956 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.037 6.460 9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.403 5.849 9.280 1.00 0.00 H new ATOM 414 N LYS A 26 8.566 2.018 7.391 1.00 0.00 N ATOM 415 CA LYS A 26 9.165 0.690 7.071 1.00 0.00 C ATOM 416 C LYS A 26 10.236 0.844 5.990 1.00 0.00 C ATOM 417 O LYS A 26 11.202 0.109 5.949 1.00 0.00 O ATOM 418 CB LYS A 26 8.001 -0.157 6.557 1.00 0.00 C ATOM 419 CG LYS A 26 8.417 -1.628 6.529 1.00 0.00 C ATOM 420 CD LYS A 26 8.276 -2.226 7.931 1.00 0.00 C ATOM 421 CE LYS A 26 9.451 -3.166 8.206 1.00 0.00 C ATOM 422 NZ LYS A 26 9.906 -2.820 9.581 1.00 0.00 N ATOM 0 H LYS A 26 7.550 2.026 7.483 1.00 0.00 H new ATOM 0 HA LYS A 26 9.648 0.234 7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.130 -0.026 7.199 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.712 0.170 5.558 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.796 -2.179 5.823 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.447 -1.719 6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.251 -1.431 8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.335 -2.770 8.013 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.145 -4.210 8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.250 -3.023 7.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.712 -3.424 9.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.198 -1.822 9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.127 -2.972 10.253 1.00 0.00 H new ATOM 436 N PHE A 27 10.072 1.797 5.112 1.00 0.00 N ATOM 437 CA PHE A 27 11.079 2.000 4.032 1.00 0.00 C ATOM 438 C PHE A 27 11.305 3.497 3.797 1.00 0.00 C ATOM 439 O PHE A 27 11.457 3.941 2.677 1.00 0.00 O ATOM 440 CB PHE A 27 10.467 1.346 2.794 1.00 0.00 C ATOM 441 CG PHE A 27 10.237 -0.123 3.056 1.00 0.00 C ATOM 442 CD1 PHE A 27 11.329 -0.982 3.236 1.00 0.00 C ATOM 443 CD2 PHE A 27 8.932 -0.628 3.121 1.00 0.00 C ATOM 444 CE1 PHE A 27 11.116 -2.344 3.478 1.00 0.00 C ATOM 445 CE2 PHE A 27 8.720 -1.991 3.363 1.00 0.00 C ATOM 446 CZ PHE A 27 9.811 -2.848 3.542 1.00 0.00 C ATOM 0 H PHE A 27 9.283 2.444 5.097 1.00 0.00 H new ATOM 0 HA PHE A 27 12.049 1.569 4.282 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.525 1.832 2.542 1.00 0.00 H new ATOM 0 HB3 PHE A 27 11.130 1.473 1.938 1.00 0.00 H new ATOM 0 HD1 PHE A 27 12.335 -0.593 3.188 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.089 0.034 2.985 1.00 0.00 H new ATOM 0 HE1 PHE A 27 11.958 -3.006 3.615 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.714 -2.381 3.411 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.647 -3.899 3.730 1.00 0.00 H new ATOM 456 N LYS A 28 11.324 4.276 4.845 1.00 0.00 N ATOM 457 CA LYS A 28 11.537 5.745 4.684 1.00 0.00 C ATOM 458 C LYS A 28 12.628 6.016 3.645 1.00 0.00 C ATOM 459 O LYS A 28 12.626 7.032 2.979 1.00 0.00 O ATOM 460 CB LYS A 28 11.977 6.234 6.064 1.00 0.00 C ATOM 461 CG LYS A 28 13.381 5.710 6.372 1.00 0.00 C ATOM 462 CD LYS A 28 13.310 4.216 6.692 1.00 0.00 C ATOM 463 CE LYS A 28 14.589 3.788 7.418 1.00 0.00 C ATOM 464 NZ LYS A 28 14.128 2.882 8.505 1.00 0.00 N ATOM 0 H LYS A 28 11.201 3.959 5.807 1.00 0.00 H new ATOM 0 HA LYS A 28 10.639 6.255 4.337 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.970 7.324 6.094 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.275 5.890 6.824 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.039 5.879 5.519 1.00 0.00 H new ATOM 0 HG3 LYS A 28 13.806 6.253 7.216 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.439 4.007 7.313 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.191 3.642 5.773 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.275 3.277 6.742 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.122 4.649 7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.949 2.546 9.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.482 3.398 9.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.631 2.068 8.091 1.00 0.00 H new ATOM 478 N ASN A 29 13.560 5.114 3.500 1.00 0.00 N ATOM 479 CA ASN A 29 14.649 5.323 2.505 1.00 0.00 C ATOM 480 C ASN A 29 14.460 4.379 1.313 1.00 0.00 C ATOM 481 O ASN A 29 15.412 3.874 0.751 1.00 0.00 O ATOM 482 CB ASN A 29 15.942 4.997 3.254 1.00 0.00 C ATOM 483 CG ASN A 29 16.409 6.234 4.025 1.00 0.00 C ATOM 484 OD1 ASN A 29 15.947 7.329 3.775 1.00 0.00 O ATOM 485 ND2 ASN A 29 17.311 6.104 4.960 1.00 0.00 N ATOM 0 H ASN A 29 13.614 4.242 4.027 1.00 0.00 H new ATOM 0 HA ASN A 29 14.658 6.338 2.108 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.778 4.167 3.941 1.00 0.00 H new ATOM 0 HB3 ASN A 29 16.713 4.681 2.551 1.00 0.00 H new ATOM 0 HD21 ASN A 29 17.628 6.922 5.480 1.00 0.00 H new ATOM 0 HD22 ASN A 29 17.699 5.184 5.170 1.00 0.00 H new ATOM 492 N GLY A 30 13.237 4.140 0.923 1.00 0.00 N ATOM 493 CA GLY A 30 12.985 3.232 -0.232 1.00 0.00 C ATOM 494 C GLY A 30 12.836 1.795 0.267 1.00 0.00 C ATOM 495 O GLY A 30 13.161 1.483 1.396 1.00 0.00 O ATOM 0 H GLY A 30 12.401 4.535 1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.082 3.540 -0.759 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.807 3.297 -0.944 1.00 0.00 H new ATOM 499 N MET A 31 12.348 0.914 -0.563 1.00 0.00 N ATOM 500 CA MET A 31 12.181 -0.503 -0.129 1.00 0.00 C ATOM 501 C MET A 31 13.341 -1.354 -0.653 1.00 0.00 C ATOM 502 O MET A 31 13.914 -1.072 -1.686 1.00 0.00 O ATOM 503 CB MET A 31 10.856 -0.961 -0.746 1.00 0.00 C ATOM 504 CG MET A 31 9.803 0.139 -0.575 1.00 0.00 C ATOM 505 SD MET A 31 8.226 -0.605 -0.093 1.00 0.00 S ATOM 506 CE MET A 31 7.404 -0.455 -1.699 1.00 0.00 C ATOM 0 H MET A 31 12.058 1.113 -1.521 1.00 0.00 H new ATOM 0 HA MET A 31 12.176 -0.603 0.956 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.994 -1.185 -1.804 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.518 -1.880 -0.267 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.127 0.853 0.182 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.686 0.693 -1.506 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.404 -0.045 -1.559 1.00 0.00 H new ATOM 0 HE2 MET A 31 7.981 0.209 -2.343 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.331 -1.438 -2.164 1.00 0.00 H new ATOM 516 N LEU A 32 13.691 -2.392 0.056 1.00 0.00 N ATOM 517 CA LEU A 32 14.816 -3.259 -0.397 1.00 0.00 C ATOM 518 C LEU A 32 14.433 -3.999 -1.679 1.00 0.00 C ATOM 519 O LEU A 32 13.272 -4.242 -1.945 1.00 0.00 O ATOM 520 CB LEU A 32 15.039 -4.248 0.746 1.00 0.00 C ATOM 521 CG LEU A 32 15.379 -3.480 2.024 1.00 0.00 C ATOM 522 CD1 LEU A 32 15.056 -4.345 3.242 1.00 0.00 C ATOM 523 CD2 LEU A 32 16.870 -3.135 2.026 1.00 0.00 C ATOM 0 H LEU A 32 13.247 -2.677 0.929 1.00 0.00 H new ATOM 0 HA LEU A 32 15.715 -2.684 -0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.144 -4.852 0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.848 -4.934 0.495 1.00 0.00 H new ATOM 0 HG LEU A 32 14.791 -2.563 2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.299 -3.797 4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.995 -4.594 3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.644 -5.262 3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.116 -2.587 2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.456 -4.053 1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 32 17.102 -2.518 1.158 1.00 0.00 H new ATOM 535 N HIS A 33 15.401 -4.360 -2.476 1.00 0.00 N ATOM 536 CA HIS A 33 15.094 -5.084 -3.742 1.00 0.00 C ATOM 537 C HIS A 33 14.399 -6.413 -3.435 1.00 0.00 C ATOM 538 O HIS A 33 14.774 -7.126 -2.526 1.00 0.00 O ATOM 539 CB HIS A 33 16.452 -5.327 -4.398 1.00 0.00 C ATOM 540 CG HIS A 33 16.263 -5.536 -5.874 1.00 0.00 C ATOM 541 ND1 HIS A 33 15.451 -6.539 -6.380 1.00 0.00 N ATOM 542 CD2 HIS A 33 16.770 -4.876 -6.966 1.00 0.00 C ATOM 543 CE1 HIS A 33 15.493 -6.456 -7.723 1.00 0.00 C ATOM 544 NE2 HIS A 33 16.282 -5.459 -8.133 1.00 0.00 N ATOM 0 H HIS A 33 16.391 -4.185 -2.305 1.00 0.00 H new ATOM 0 HA HIS A 33 14.425 -4.518 -4.390 1.00 0.00 H new ATOM 0 HB2 HIS A 33 17.111 -4.477 -4.221 1.00 0.00 H new ATOM 0 HB3 HIS A 33 16.932 -6.200 -3.954 1.00 0.00 H new ATOM 0 HD2 HIS A 33 17.444 -4.033 -6.926 1.00 0.00 H new ATOM 0 HE1 HIS A 33 14.955 -7.115 -8.388 1.00 0.00 H new ATOM 0 HE2 HIS A 33 16.484 -5.184 -9.094 1.00 0.00 H new ATOM 552 N GLY A 34 13.387 -6.751 -4.187 1.00 0.00 N ATOM 553 CA GLY A 34 12.669 -8.034 -3.938 1.00 0.00 C ATOM 554 C GLY A 34 11.687 -7.862 -2.775 1.00 0.00 C ATOM 555 O GLY A 34 10.894 -8.737 -2.488 1.00 0.00 O ATOM 0 H GLY A 34 13.026 -6.195 -4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.133 -8.342 -4.836 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.385 -8.823 -3.708 1.00 0.00 H new ATOM 559 N ASP A 35 11.729 -6.743 -2.104 1.00 0.00 N ATOM 560 CA ASP A 35 10.794 -6.524 -0.962 1.00 0.00 C ATOM 561 C ASP A 35 9.345 -6.601 -1.448 1.00 0.00 C ATOM 562 O ASP A 35 8.923 -5.838 -2.294 1.00 0.00 O ATOM 563 CB ASP A 35 11.117 -5.118 -0.453 1.00 0.00 C ATOM 564 CG ASP A 35 10.047 -4.679 0.550 1.00 0.00 C ATOM 565 OD1 ASP A 35 8.970 -4.307 0.112 1.00 0.00 O ATOM 566 OD2 ASP A 35 10.323 -4.720 1.737 1.00 0.00 O ATOM 0 H ASP A 35 12.369 -5.972 -2.296 1.00 0.00 H new ATOM 0 HA ASP A 35 10.908 -7.276 -0.181 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.099 -5.108 0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.157 -4.418 -1.288 1.00 0.00 H new ATOM 571 N LYS A 36 8.580 -7.520 -0.924 1.00 0.00 N ATOM 572 CA LYS A 36 7.161 -7.641 -1.364 1.00 0.00 C ATOM 573 C LYS A 36 6.225 -6.971 -0.357 1.00 0.00 C ATOM 574 O LYS A 36 6.349 -7.144 0.838 1.00 0.00 O ATOM 575 CB LYS A 36 6.886 -9.142 -1.420 1.00 0.00 C ATOM 576 CG LYS A 36 6.264 -9.500 -2.772 1.00 0.00 C ATOM 577 CD LYS A 36 6.202 -11.021 -2.922 1.00 0.00 C ATOM 578 CE LYS A 36 5.062 -11.571 -2.062 1.00 0.00 C ATOM 579 NZ LYS A 36 4.588 -12.785 -2.783 1.00 0.00 N ATOM 0 H LYS A 36 8.875 -8.190 -0.213 1.00 0.00 H new ATOM 0 HA LYS A 36 6.993 -7.155 -2.325 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.813 -9.697 -1.276 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.214 -9.429 -0.612 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.263 -9.076 -2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.854 -9.068 -3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.045 -11.288 -3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.149 -11.466 -2.618 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.408 -11.818 -1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.262 -10.839 -1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.805 -13.219 -2.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.258 -12.518 -3.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.369 -13.466 -2.866 1.00 0.00 H new ATOM 593 N VAL A 37 5.285 -6.214 -0.842 1.00 0.00 N ATOM 594 CA VAL A 37 4.321 -5.530 0.067 1.00 0.00 C ATOM 595 C VAL A 37 2.921 -5.565 -0.551 1.00 0.00 C ATOM 596 O VAL A 37 2.759 -5.431 -1.748 1.00 0.00 O ATOM 597 CB VAL A 37 4.831 -4.093 0.184 1.00 0.00 C ATOM 598 CG1 VAL A 37 6.335 -4.106 0.463 1.00 0.00 C ATOM 599 CG2 VAL A 37 4.564 -3.350 -1.127 1.00 0.00 C ATOM 0 H VAL A 37 5.140 -6.037 -1.836 1.00 0.00 H new ATOM 0 HA VAL A 37 4.253 -6.008 1.044 1.00 0.00 H new ATOM 0 HB VAL A 37 4.314 -3.590 1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.698 -3.082 0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.527 -4.636 1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.852 -4.609 -0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.927 -2.325 -1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.082 -3.854 -1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.493 -3.340 -1.328 1.00 0.00 H new ATOM 609 N SER A 38 1.908 -5.754 0.249 1.00 0.00 N ATOM 610 CA SER A 38 0.523 -5.810 -0.306 1.00 0.00 C ATOM 611 C SER A 38 -0.218 -4.492 -0.057 1.00 0.00 C ATOM 612 O SER A 38 -0.114 -3.899 0.998 1.00 0.00 O ATOM 613 CB SER A 38 -0.155 -6.951 0.449 1.00 0.00 C ATOM 614 OG SER A 38 0.838 -7.804 1.005 1.00 0.00 O ATOM 0 H SER A 38 1.977 -5.872 1.260 1.00 0.00 H new ATOM 0 HA SER A 38 0.523 -5.968 -1.385 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.791 -6.552 1.239 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.800 -7.516 -0.225 1.00 0.00 H new ATOM 0 HG SER A 38 1.275 -7.351 1.756 1.00 0.00 H new ATOM 620 N PHE A 39 -0.974 -4.037 -1.020 1.00 0.00 N ATOM 621 CA PHE A 39 -1.734 -2.764 -0.843 1.00 0.00 C ATOM 622 C PHE A 39 -3.194 -3.074 -0.501 1.00 0.00 C ATOM 623 O PHE A 39 -3.771 -4.014 -1.006 1.00 0.00 O ATOM 624 CB PHE A 39 -1.639 -2.053 -2.192 1.00 0.00 C ATOM 625 CG PHE A 39 -0.292 -1.380 -2.316 1.00 0.00 C ATOM 626 CD1 PHE A 39 0.824 -2.118 -2.728 1.00 0.00 C ATOM 627 CD2 PHE A 39 -0.160 -0.016 -2.024 1.00 0.00 C ATOM 628 CE1 PHE A 39 2.072 -1.494 -2.846 1.00 0.00 C ATOM 629 CE2 PHE A 39 1.088 0.607 -2.141 1.00 0.00 C ATOM 630 CZ PHE A 39 2.204 -0.132 -2.553 1.00 0.00 C ATOM 0 H PHE A 39 -1.099 -4.493 -1.924 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.337 -2.151 -0.034 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.775 -2.769 -3.002 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.436 -1.314 -2.282 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.722 -3.169 -2.955 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.021 0.555 -1.709 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.933 -2.064 -3.163 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.190 1.658 -1.914 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.167 0.349 -2.645 1.00 0.00 H new ATOM 640 N PHE A 40 -3.797 -2.300 0.356 1.00 0.00 N ATOM 641 CA PHE A 40 -5.217 -2.571 0.727 1.00 0.00 C ATOM 642 C PHE A 40 -6.173 -2.019 -0.336 1.00 0.00 C ATOM 643 O PHE A 40 -6.037 -0.901 -0.791 1.00 0.00 O ATOM 644 CB PHE A 40 -5.425 -1.848 2.057 1.00 0.00 C ATOM 645 CG PHE A 40 -4.810 -2.661 3.173 1.00 0.00 C ATOM 646 CD1 PHE A 40 -5.205 -3.989 3.370 1.00 0.00 C ATOM 647 CD2 PHE A 40 -3.843 -2.086 4.006 1.00 0.00 C ATOM 648 CE1 PHE A 40 -4.634 -4.744 4.402 1.00 0.00 C ATOM 649 CE2 PHE A 40 -3.271 -2.841 5.037 1.00 0.00 C ATOM 650 CZ PHE A 40 -3.665 -4.169 5.236 1.00 0.00 C ATOM 0 H PHE A 40 -3.372 -1.494 0.815 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.419 -3.640 0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.970 -0.858 2.020 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.489 -1.703 2.242 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.950 -4.432 2.726 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.539 -1.061 3.854 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.940 -5.768 4.555 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.525 -2.398 5.680 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.223 -4.750 6.032 1.00 0.00 H new ATOM 660 N CYS A 41 -7.149 -2.796 -0.722 1.00 0.00 N ATOM 661 CA CYS A 41 -8.130 -2.324 -1.741 1.00 0.00 C ATOM 662 C CYS A 41 -9.554 -2.644 -1.272 1.00 0.00 C ATOM 663 O CYS A 41 -9.751 -3.219 -0.220 1.00 0.00 O ATOM 664 CB CYS A 41 -7.792 -3.102 -3.012 1.00 0.00 C ATOM 665 SG CYS A 41 -6.882 -2.029 -4.149 1.00 0.00 S ATOM 0 H CYS A 41 -7.310 -3.741 -0.374 1.00 0.00 H new ATOM 0 HA CYS A 41 -8.078 -1.248 -1.905 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.194 -3.980 -2.766 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.706 -3.461 -3.486 1.00 0.00 H new ATOM 0 HG CYS A 41 -6.591 -2.690 -5.230 1.00 0.00 H new ATOM 670 N LYS A 42 -10.550 -2.274 -2.033 1.00 0.00 N ATOM 671 CA LYS A 42 -11.951 -2.561 -1.605 1.00 0.00 C ATOM 672 C LYS A 42 -12.685 -3.396 -2.657 1.00 0.00 C ATOM 673 O LYS A 42 -12.436 -3.288 -3.841 1.00 0.00 O ATOM 674 CB LYS A 42 -12.608 -1.190 -1.464 1.00 0.00 C ATOM 675 CG LYS A 42 -12.485 -0.424 -2.783 1.00 0.00 C ATOM 676 CD LYS A 42 -11.302 0.543 -2.704 1.00 0.00 C ATOM 677 CE LYS A 42 -11.812 1.950 -2.386 1.00 0.00 C ATOM 678 NZ LYS A 42 -10.724 2.862 -2.835 1.00 0.00 N ATOM 0 H LYS A 42 -10.456 -1.789 -2.926 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.981 -3.134 -0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.658 -1.305 -1.195 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.132 -0.628 -0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.344 -1.121 -3.609 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.405 0.126 -2.984 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.602 0.216 -1.935 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.758 0.547 -3.649 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.745 2.160 -2.909 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.011 2.067 -1.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.999 3.848 -2.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.851 2.643 -2.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.561 2.733 -3.854 1.00 0.00 H new ATOM 692 N ASN A 43 -13.594 -4.224 -2.221 1.00 0.00 N ATOM 693 CA ASN A 43 -14.364 -5.072 -3.176 1.00 0.00 C ATOM 694 C ASN A 43 -15.860 -4.762 -3.060 1.00 0.00 C ATOM 695 O ASN A 43 -16.505 -5.127 -2.097 1.00 0.00 O ATOM 696 CB ASN A 43 -14.087 -6.512 -2.742 1.00 0.00 C ATOM 697 CG ASN A 43 -14.163 -7.438 -3.958 1.00 0.00 C ATOM 698 OD1 ASN A 43 -13.403 -8.380 -4.067 1.00 0.00 O ATOM 699 ND2 ASN A 43 -15.055 -7.211 -4.882 1.00 0.00 N ATOM 0 H ASN A 43 -13.838 -4.351 -1.239 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.075 -4.895 -4.212 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.102 -6.580 -2.281 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.813 -6.822 -1.990 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -15.114 -7.824 -5.695 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -15.693 -6.421 -4.791 1.00 0.00 H new ATOM 706 N LYS A 44 -16.417 -4.093 -4.031 1.00 0.00 N ATOM 707 CA LYS A 44 -17.871 -3.764 -3.969 1.00 0.00 C ATOM 708 C LYS A 44 -18.707 -5.046 -3.959 1.00 0.00 C ATOM 709 O LYS A 44 -19.603 -5.209 -3.154 1.00 0.00 O ATOM 710 CB LYS A 44 -18.149 -2.954 -5.235 1.00 0.00 C ATOM 711 CG LYS A 44 -19.659 -2.764 -5.397 1.00 0.00 C ATOM 712 CD LYS A 44 -19.933 -1.502 -6.216 1.00 0.00 C ATOM 713 CE LYS A 44 -20.322 -0.358 -5.276 1.00 0.00 C ATOM 714 NZ LYS A 44 -20.801 0.729 -6.174 1.00 0.00 N ATOM 0 H LYS A 44 -15.931 -3.760 -4.863 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.129 -3.211 -3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -17.654 -1.985 -5.176 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -17.741 -3.468 -6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -20.094 -3.632 -5.892 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -20.133 -2.685 -4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -19.048 -1.229 -6.791 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -20.734 -1.687 -6.932 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -21.101 -0.667 -4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -19.471 -0.031 -4.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -21.087 1.550 -5.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -20.036 1.007 -6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -21.615 0.390 -6.725 1.00 0.00 H new ATOM 728 N GLU A 45 -18.424 -5.958 -4.849 1.00 0.00 N ATOM 729 CA GLU A 45 -19.205 -7.227 -4.892 1.00 0.00 C ATOM 730 C GLU A 45 -19.139 -7.942 -3.539 1.00 0.00 C ATOM 731 O GLU A 45 -20.148 -8.325 -2.980 1.00 0.00 O ATOM 732 CB GLU A 45 -18.533 -8.068 -5.978 1.00 0.00 C ATOM 733 CG GLU A 45 -19.306 -7.915 -7.290 1.00 0.00 C ATOM 734 CD GLU A 45 -18.471 -7.104 -8.283 1.00 0.00 C ATOM 735 OE1 GLU A 45 -17.262 -7.262 -8.278 1.00 0.00 O ATOM 736 OE2 GLU A 45 -19.056 -6.340 -9.032 1.00 0.00 O ATOM 0 H GLU A 45 -17.686 -5.879 -5.548 1.00 0.00 H new ATOM 0 HA GLU A 45 -20.260 -7.054 -5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.499 -7.749 -6.113 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.507 -9.116 -5.678 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -19.534 -8.896 -7.707 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -20.258 -7.417 -7.107 1.00 0.00 H new ATOM 743 N LYS A 46 -17.961 -8.124 -3.008 1.00 0.00 N ATOM 744 CA LYS A 46 -17.837 -8.813 -1.692 1.00 0.00 C ATOM 745 C LYS A 46 -18.128 -7.831 -0.553 1.00 0.00 C ATOM 746 O LYS A 46 -18.401 -8.225 0.562 1.00 0.00 O ATOM 747 CB LYS A 46 -16.388 -9.294 -1.629 1.00 0.00 C ATOM 748 CG LYS A 46 -16.227 -10.542 -2.498 1.00 0.00 C ATOM 749 CD LYS A 46 -14.962 -10.414 -3.349 1.00 0.00 C ATOM 750 CE LYS A 46 -14.513 -11.803 -3.809 1.00 0.00 C ATOM 751 NZ LYS A 46 -15.227 -12.031 -5.096 1.00 0.00 N ATOM 0 H LYS A 46 -17.080 -7.826 -3.428 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.543 -9.637 -1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.717 -8.508 -1.975 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.112 -9.517 -0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -16.166 -11.430 -1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -17.099 -10.665 -3.140 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -15.155 -9.778 -4.213 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.170 -9.937 -2.772 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -13.432 -11.844 -3.944 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -14.771 -12.565 -3.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -14.970 -12.965 -5.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -16.254 -11.993 -4.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -14.956 -11.294 -5.778 1.00 0.00 H new ATOM 765 N LYS A 47 -18.069 -6.556 -0.833 1.00 0.00 N ATOM 766 CA LYS A 47 -18.338 -5.531 0.217 1.00 0.00 C ATOM 767 C LYS A 47 -17.230 -5.533 1.274 1.00 0.00 C ATOM 768 O LYS A 47 -17.454 -5.197 2.420 1.00 0.00 O ATOM 769 CB LYS A 47 -19.676 -5.921 0.843 1.00 0.00 C ATOM 770 CG LYS A 47 -20.681 -6.264 -0.257 1.00 0.00 C ATOM 771 CD LYS A 47 -22.096 -5.942 0.229 1.00 0.00 C ATOM 772 CE LYS A 47 -23.113 -6.766 -0.563 1.00 0.00 C ATOM 773 NZ LYS A 47 -24.274 -5.854 -0.765 1.00 0.00 N ATOM 0 H LYS A 47 -17.844 -6.178 -1.753 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.368 -4.526 -0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.543 -6.776 1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -20.056 -5.101 1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -20.457 -5.696 -1.160 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -20.606 -7.320 -0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -22.184 -6.162 1.293 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -22.300 -4.878 0.106 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -22.698 -7.094 -1.516 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -23.406 -7.663 -0.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -25.015 -6.349 -1.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -24.652 -5.563 0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -23.967 -5.013 -1.294 1.00 0.00 H new ATOM 787 N CYS A 48 -16.033 -5.893 0.900 1.00 0.00 N ATOM 788 CA CYS A 48 -14.914 -5.897 1.888 1.00 0.00 C ATOM 789 C CYS A 48 -13.632 -5.438 1.202 1.00 0.00 C ATOM 790 O CYS A 48 -13.622 -5.135 0.026 1.00 0.00 O ATOM 791 CB CYS A 48 -14.737 -7.345 2.366 1.00 0.00 C ATOM 792 SG CYS A 48 -16.297 -8.263 2.299 1.00 0.00 S ATOM 0 H CYS A 48 -15.780 -6.184 -0.044 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.129 -5.230 2.723 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -13.993 -7.845 1.746 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.356 -7.348 3.387 1.00 0.00 H new ATOM 797 N SER A 49 -12.546 -5.404 1.917 1.00 0.00 N ATOM 798 CA SER A 49 -11.267 -4.987 1.289 1.00 0.00 C ATOM 799 C SER A 49 -10.310 -6.174 1.239 1.00 0.00 C ATOM 800 O SER A 49 -10.572 -7.223 1.800 1.00 0.00 O ATOM 801 CB SER A 49 -10.716 -3.886 2.190 1.00 0.00 C ATOM 802 OG SER A 49 -10.842 -4.284 3.549 1.00 0.00 O ATOM 0 H SER A 49 -12.489 -5.646 2.906 1.00 0.00 H new ATOM 0 HA SER A 49 -11.399 -4.635 0.266 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.670 -3.694 1.951 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.258 -2.956 2.020 1.00 0.00 H new ATOM 0 HG SER A 49 -9.955 -4.315 3.964 1.00 0.00 H new ATOM 808 N TYR A 50 -9.204 -6.017 0.573 1.00 0.00 N ATOM 809 CA TYR A 50 -8.222 -7.135 0.481 1.00 0.00 C ATOM 810 C TYR A 50 -6.817 -6.576 0.244 1.00 0.00 C ATOM 811 O TYR A 50 -6.620 -5.378 0.188 1.00 0.00 O ATOM 812 CB TYR A 50 -8.684 -7.981 -0.708 1.00 0.00 C ATOM 813 CG TYR A 50 -9.075 -7.084 -1.858 1.00 0.00 C ATOM 814 CD1 TYR A 50 -8.089 -6.568 -2.706 1.00 0.00 C ATOM 815 CD2 TYR A 50 -10.423 -6.769 -2.081 1.00 0.00 C ATOM 816 CE1 TYR A 50 -8.447 -5.740 -3.777 1.00 0.00 C ATOM 817 CE2 TYR A 50 -10.781 -5.940 -3.151 1.00 0.00 C ATOM 818 CZ TYR A 50 -9.793 -5.426 -3.999 1.00 0.00 C ATOM 819 OH TYR A 50 -10.145 -4.610 -5.054 1.00 0.00 O ATOM 0 H TYR A 50 -8.935 -5.162 0.086 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.177 -7.726 1.396 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.886 -8.656 -1.017 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.531 -8.602 -0.416 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -7.050 -6.809 -2.534 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.185 -7.166 -1.427 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -7.685 -5.344 -4.432 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -11.819 -5.697 -3.322 1.00 0.00 H new ATOM 0 HH TYR A 50 -10.929 -4.076 -4.807 1.00 0.00 H new ATOM 829 N THR A 51 -5.837 -7.426 0.112 1.00 0.00 N ATOM 830 CA THR A 51 -4.451 -6.923 -0.110 1.00 0.00 C ATOM 831 C THR A 51 -3.945 -7.312 -1.500 1.00 0.00 C ATOM 832 O THR A 51 -4.249 -8.369 -2.015 1.00 0.00 O ATOM 833 CB THR A 51 -3.601 -7.598 0.968 1.00 0.00 C ATOM 834 OG1 THR A 51 -3.855 -8.996 0.963 1.00 0.00 O ATOM 835 CG2 THR A 51 -3.950 -7.017 2.338 1.00 0.00 C ATOM 0 H THR A 51 -5.934 -8.441 0.148 1.00 0.00 H new ATOM 0 HA THR A 51 -4.406 -5.835 -0.052 1.00 0.00 H new ATOM 0 HB THR A 51 -2.546 -7.420 0.762 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.310 -9.430 1.652 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.343 -7.500 3.103 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.751 -5.945 2.340 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.005 -7.191 2.549 1.00 0.00 H new ATOM 843 N GLU A 52 -3.161 -6.461 -2.099 1.00 0.00 N ATOM 844 CA GLU A 52 -2.606 -6.764 -3.450 1.00 0.00 C ATOM 845 C GLU A 52 -1.080 -6.829 -3.364 1.00 0.00 C ATOM 846 O GLU A 52 -0.391 -5.862 -3.619 1.00 0.00 O ATOM 847 CB GLU A 52 -3.051 -5.599 -4.335 1.00 0.00 C ATOM 848 CG GLU A 52 -4.486 -5.838 -4.808 1.00 0.00 C ATOM 849 CD GLU A 52 -4.475 -6.753 -6.035 1.00 0.00 C ATOM 850 OE1 GLU A 52 -3.533 -6.666 -6.805 1.00 0.00 O ATOM 851 OE2 GLU A 52 -5.408 -7.525 -6.182 1.00 0.00 O ATOM 0 H GLU A 52 -2.878 -5.562 -1.709 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.952 -7.719 -3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.991 -4.663 -3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.385 -5.505 -5.193 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.073 -6.291 -4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.962 -4.889 -5.054 1.00 0.00 H new ATOM 858 N ASP A 53 -0.550 -7.959 -2.988 1.00 0.00 N ATOM 859 CA ASP A 53 0.928 -8.089 -2.861 1.00 0.00 C ATOM 860 C ASP A 53 1.647 -7.409 -4.028 1.00 0.00 C ATOM 861 O ASP A 53 1.205 -7.446 -5.159 1.00 0.00 O ATOM 862 CB ASP A 53 1.208 -9.588 -2.874 1.00 0.00 C ATOM 863 CG ASP A 53 0.483 -10.258 -1.706 1.00 0.00 C ATOM 864 OD1 ASP A 53 -0.705 -10.025 -1.559 1.00 0.00 O ATOM 865 OD2 ASP A 53 1.129 -10.996 -0.979 1.00 0.00 O ATOM 0 H ASP A 53 -1.079 -8.801 -2.762 1.00 0.00 H new ATOM 0 HA ASP A 53 1.288 -7.609 -1.951 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.876 -10.022 -3.817 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.280 -9.768 -2.800 1.00 0.00 H new ATOM 870 N ALA A 54 2.765 -6.804 -3.748 1.00 0.00 N ATOM 871 CA ALA A 54 3.554 -6.126 -4.817 1.00 0.00 C ATOM 872 C ALA A 54 5.029 -6.516 -4.678 1.00 0.00 C ATOM 873 O ALA A 54 5.403 -7.227 -3.768 1.00 0.00 O ATOM 874 CB ALA A 54 3.364 -4.629 -4.568 1.00 0.00 C ATOM 0 H ALA A 54 3.172 -6.748 -2.814 1.00 0.00 H new ATOM 0 HA ALA A 54 3.234 -6.405 -5.821 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.917 -4.062 -5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.305 -4.381 -4.634 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.735 -4.375 -3.575 1.00 0.00 H new ATOM 880 N GLN A 55 5.873 -6.069 -5.567 1.00 0.00 N ATOM 881 CA GLN A 55 7.315 -6.440 -5.458 1.00 0.00 C ATOM 882 C GLN A 55 8.213 -5.225 -5.708 1.00 0.00 C ATOM 883 O GLN A 55 7.905 -4.364 -6.509 1.00 0.00 O ATOM 884 CB GLN A 55 7.535 -7.498 -6.539 1.00 0.00 C ATOM 885 CG GLN A 55 8.739 -8.364 -6.167 1.00 0.00 C ATOM 886 CD GLN A 55 9.043 -9.340 -7.305 1.00 0.00 C ATOM 887 OE1 GLN A 55 9.805 -9.031 -8.198 1.00 0.00 O ATOM 888 NE2 GLN A 55 8.474 -10.514 -7.310 1.00 0.00 N ATOM 0 H GLN A 55 5.632 -5.470 -6.356 1.00 0.00 H new ATOM 0 HA GLN A 55 7.563 -6.809 -4.463 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.645 -8.119 -6.642 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.702 -7.019 -7.503 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.607 -7.734 -5.974 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.534 -8.914 -5.248 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.834 -10.774 -6.560 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.669 -11.172 -8.064 1.00 0.00 H new ATOM 897 N CYS A 56 9.329 -5.156 -5.031 1.00 0.00 N ATOM 898 CA CYS A 56 10.257 -4.006 -5.229 1.00 0.00 C ATOM 899 C CYS A 56 11.465 -4.452 -6.057 1.00 0.00 C ATOM 900 O CYS A 56 11.948 -5.560 -5.924 1.00 0.00 O ATOM 901 CB CYS A 56 10.687 -3.593 -3.820 1.00 0.00 C ATOM 902 SG CYS A 56 12.134 -2.503 -3.911 1.00 0.00 S ATOM 0 H CYS A 56 9.638 -5.848 -4.348 1.00 0.00 H new ATOM 0 HA CYS A 56 9.790 -3.179 -5.764 1.00 0.00 H new ATOM 0 HB2 CYS A 56 9.867 -3.082 -3.315 1.00 0.00 H new ATOM 0 HB3 CYS A 56 10.924 -4.478 -3.229 1.00 0.00 H new ATOM 907 N ILE A 57 11.951 -3.601 -6.916 1.00 0.00 N ATOM 908 CA ILE A 57 13.120 -3.978 -7.760 1.00 0.00 C ATOM 909 C ILE A 57 14.125 -2.823 -7.823 1.00 0.00 C ATOM 910 O ILE A 57 13.870 -1.738 -7.339 1.00 0.00 O ATOM 911 CB ILE A 57 12.531 -4.260 -9.144 1.00 0.00 C ATOM 912 CG1 ILE A 57 11.584 -5.459 -9.058 1.00 0.00 C ATOM 913 CG2 ILE A 57 13.657 -4.574 -10.130 1.00 0.00 C ATOM 914 CD1 ILE A 57 10.143 -4.964 -8.918 1.00 0.00 C ATOM 0 H ILE A 57 11.590 -2.660 -7.071 1.00 0.00 H new ATOM 0 HA ILE A 57 13.658 -4.839 -7.363 1.00 0.00 H new ATOM 0 HB ILE A 57 11.983 -3.383 -9.488 1.00 0.00 H new ATOM 0 HG12 ILE A 57 11.682 -6.078 -9.950 1.00 0.00 H new ATOM 0 HG13 ILE A 57 11.849 -6.085 -8.206 1.00 0.00 H new ATOM 0 HG21 ILE A 57 13.233 -4.774 -11.114 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.334 -3.722 -10.193 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.207 -5.450 -9.787 1.00 0.00 H new ATOM 0 HD11 ILE A 57 9.469 -5.819 -8.857 1.00 0.00 H new ATOM 0 HD12 ILE A 57 10.051 -4.364 -8.013 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.881 -4.357 -9.784 1.00 0.00 H new ATOM 926 N ASP A 58 15.267 -3.061 -8.412 1.00 0.00 N ATOM 927 CA ASP A 58 16.317 -2.000 -8.518 1.00 0.00 C ATOM 928 C ASP A 58 15.701 -0.604 -8.676 1.00 0.00 C ATOM 929 O ASP A 58 15.378 -0.174 -9.765 1.00 0.00 O ATOM 930 CB ASP A 58 17.115 -2.369 -9.768 1.00 0.00 C ATOM 931 CG ASP A 58 18.564 -1.900 -9.607 1.00 0.00 C ATOM 932 OD1 ASP A 58 18.760 -0.722 -9.358 1.00 0.00 O ATOM 933 OD2 ASP A 58 19.451 -2.727 -9.740 1.00 0.00 O ATOM 0 H ASP A 58 15.522 -3.956 -8.830 1.00 0.00 H new ATOM 0 HA ASP A 58 16.932 -1.957 -7.619 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.086 -3.447 -9.926 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.668 -1.906 -10.648 1.00 0.00 H new ATOM 938 N GLY A 59 15.562 0.110 -7.593 1.00 0.00 N ATOM 939 CA GLY A 59 14.994 1.489 -7.658 1.00 0.00 C ATOM 940 C GLY A 59 13.717 1.519 -8.500 1.00 0.00 C ATOM 941 O GLY A 59 13.312 2.559 -8.979 1.00 0.00 O ATOM 0 H GLY A 59 15.819 -0.204 -6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.778 1.844 -6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.731 2.170 -8.085 1.00 0.00 H new ATOM 945 N THR A 60 13.068 0.402 -8.685 1.00 0.00 N ATOM 946 CA THR A 60 11.816 0.412 -9.496 1.00 0.00 C ATOM 947 C THR A 60 10.760 -0.499 -8.876 1.00 0.00 C ATOM 948 O THR A 60 11.008 -1.652 -8.593 1.00 0.00 O ATOM 949 CB THR A 60 12.214 -0.116 -10.870 1.00 0.00 C ATOM 950 OG1 THR A 60 13.450 0.465 -11.264 1.00 0.00 O ATOM 951 CG2 THR A 60 11.127 0.242 -11.885 1.00 0.00 C ATOM 0 H THR A 60 13.345 -0.507 -8.315 1.00 0.00 H new ATOM 0 HA THR A 60 11.386 1.412 -9.547 1.00 0.00 H new ATOM 0 HB THR A 60 12.326 -1.199 -10.827 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.191 -0.062 -10.898 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.409 -0.134 -12.868 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.183 -0.209 -11.581 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.014 1.325 -11.930 1.00 0.00 H new ATOM 959 N ILE A 61 9.577 0.006 -8.681 1.00 0.00 N ATOM 960 CA ILE A 61 8.494 -0.833 -8.096 1.00 0.00 C ATOM 961 C ILE A 61 7.186 -0.585 -8.845 1.00 0.00 C ATOM 962 O ILE A 61 6.860 0.531 -9.195 1.00 0.00 O ATOM 963 CB ILE A 61 8.373 -0.393 -6.636 1.00 0.00 C ATOM 964 CG1 ILE A 61 7.058 -0.920 -6.055 1.00 0.00 C ATOM 965 CG2 ILE A 61 8.388 1.134 -6.552 1.00 0.00 C ATOM 966 CD1 ILE A 61 7.332 -1.611 -4.718 1.00 0.00 C ATOM 0 H ILE A 61 9.311 0.966 -8.901 1.00 0.00 H new ATOM 0 HA ILE A 61 8.713 -1.898 -8.171 1.00 0.00 H new ATOM 0 HB ILE A 61 9.213 -0.793 -6.068 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.355 -0.099 -5.915 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.596 -1.620 -6.750 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.302 1.442 -5.510 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.323 1.512 -6.966 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.550 1.538 -7.120 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.396 -1.986 -4.304 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.020 -2.442 -4.872 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.776 -0.897 -4.024 1.00 0.00 H new ATOM 978 N GLU A 62 6.439 -1.619 -9.097 1.00 0.00 N ATOM 979 CA GLU A 62 5.153 -1.447 -9.831 1.00 0.00 C ATOM 980 C GLU A 62 3.976 -1.451 -8.853 1.00 0.00 C ATOM 981 O GLU A 62 3.845 -2.335 -8.030 1.00 0.00 O ATOM 982 CB GLU A 62 5.069 -2.647 -10.773 1.00 0.00 C ATOM 983 CG GLU A 62 4.787 -2.163 -12.196 1.00 0.00 C ATOM 984 CD GLU A 62 3.275 -2.107 -12.426 1.00 0.00 C ATOM 985 OE1 GLU A 62 2.588 -2.985 -11.930 1.00 0.00 O ATOM 986 OE2 GLU A 62 2.830 -1.187 -13.091 1.00 0.00 O ATOM 0 H GLU A 62 6.661 -2.577 -8.828 1.00 0.00 H new ATOM 0 HA GLU A 62 5.113 -0.501 -10.370 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.003 -3.208 -10.747 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.281 -3.325 -10.446 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.226 -1.177 -12.350 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.251 -2.835 -12.919 1.00 0.00 H new ATOM 993 N VAL A 63 3.116 -0.474 -8.940 1.00 0.00 N ATOM 994 CA VAL A 63 1.946 -0.430 -8.018 1.00 0.00 C ATOM 995 C VAL A 63 0.746 -1.133 -8.666 1.00 0.00 C ATOM 996 O VAL A 63 0.523 -0.990 -9.852 1.00 0.00 O ATOM 997 CB VAL A 63 1.653 1.056 -7.819 1.00 0.00 C ATOM 998 CG1 VAL A 63 0.571 1.223 -6.750 1.00 0.00 C ATOM 999 CG2 VAL A 63 2.928 1.773 -7.370 1.00 0.00 C ATOM 0 H VAL A 63 3.172 0.295 -9.608 1.00 0.00 H new ATOM 0 HA VAL A 63 2.142 -0.934 -7.072 1.00 0.00 H new ATOM 0 HB VAL A 63 1.306 1.487 -8.758 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.361 2.283 -6.607 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.338 0.713 -7.069 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.918 0.792 -5.811 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.718 2.833 -7.228 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.276 1.343 -6.431 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.699 1.654 -8.131 1.00 0.00 H new ATOM 1009 N PRO A 64 0.006 -1.870 -7.874 1.00 0.00 N ATOM 1010 CA PRO A 64 -1.178 -2.591 -8.397 1.00 0.00 C ATOM 1011 C PRO A 64 -2.201 -1.602 -8.962 1.00 0.00 C ATOM 1012 O PRO A 64 -2.593 -0.655 -8.309 1.00 0.00 O ATOM 1013 CB PRO A 64 -1.714 -3.309 -7.153 1.00 0.00 C ATOM 1014 CG PRO A 64 -0.801 -2.974 -5.957 1.00 0.00 C ATOM 1015 CD PRO A 64 0.305 -2.022 -6.430 1.00 0.00 C ATOM 0 HA PRO A 64 -0.953 -3.275 -9.216 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.737 -2.995 -6.947 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.739 -4.386 -7.320 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.380 -2.512 -5.158 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.365 -3.886 -5.548 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.269 -1.067 -5.906 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.298 -2.440 -6.264 1.00 0.00 H new ATOM 1272 N ALA A 80 -9.416 1.726 1.182 1.00 0.00 N ATOM 1273 CA ALA A 80 -9.221 0.277 1.482 1.00 0.00 C ATOM 1274 C ALA A 80 -8.383 0.104 2.750 1.00 0.00 C ATOM 1275 O ALA A 80 -8.779 -0.571 3.678 1.00 0.00 O ATOM 1276 CB ALA A 80 -8.480 -0.281 0.269 1.00 0.00 C ATOM 0 HA ALA A 80 -10.166 -0.238 1.656 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.298 -1.346 0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.084 -0.133 -0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.528 0.238 0.154 1.00 0.00 H new ATOM 1282 N SER A 81 -7.230 0.712 2.800 1.00 0.00 N ATOM 1283 CA SER A 81 -6.376 0.583 4.014 1.00 0.00 C ATOM 1284 C SER A 81 -7.230 0.758 5.272 1.00 0.00 C ATOM 1285 O SER A 81 -6.901 0.264 6.332 1.00 0.00 O ATOM 1286 CB SER A 81 -5.353 1.712 3.898 1.00 0.00 C ATOM 1287 OG SER A 81 -4.834 2.009 5.188 1.00 0.00 O ATOM 0 H SER A 81 -6.843 1.291 2.055 1.00 0.00 H new ATOM 0 HA SER A 81 -5.896 -0.393 4.085 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.546 1.419 3.227 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.819 2.598 3.468 1.00 0.00 H new ATOM 0 HG SER A 81 -5.248 1.418 5.851 1.00 0.00 H new ATOM 1293 N ASP A 82 -8.327 1.458 5.161 1.00 0.00 N ATOM 1294 CA ASP A 82 -9.205 1.665 6.348 1.00 0.00 C ATOM 1295 C ASP A 82 -10.391 0.700 6.298 1.00 0.00 C ATOM 1296 O ASP A 82 -11.452 0.977 6.822 1.00 0.00 O ATOM 1297 CB ASP A 82 -9.684 3.112 6.239 1.00 0.00 C ATOM 1298 CG ASP A 82 -8.546 4.058 6.625 1.00 0.00 C ATOM 1299 OD1 ASP A 82 -7.672 4.269 5.800 1.00 0.00 O ATOM 1300 OD2 ASP A 82 -8.568 4.557 7.738 1.00 0.00 O ATOM 0 H ASP A 82 -8.653 1.895 4.299 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.684 1.480 7.287 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.015 3.321 5.222 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.542 3.272 6.892 1.00 0.00 H new ATOM 1305 N VAL A 83 -10.218 -0.430 5.674 1.00 0.00 N ATOM 1306 CA VAL A 83 -11.336 -1.414 5.590 1.00 0.00 C ATOM 1307 C VAL A 83 -10.869 -2.789 6.072 1.00 0.00 C ATOM 1308 O VAL A 83 -9.702 -3.121 5.994 1.00 0.00 O ATOM 1309 CB VAL A 83 -11.709 -1.470 4.110 1.00 0.00 C ATOM 1310 CG1 VAL A 83 -13.068 -2.154 3.953 1.00 0.00 C ATOM 1311 CG2 VAL A 83 -11.786 -0.050 3.545 1.00 0.00 C ATOM 0 H VAL A 83 -9.352 -0.717 5.218 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.182 -1.126 6.214 1.00 0.00 H new ATOM 0 HB VAL A 83 -10.951 -2.035 3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.335 -2.194 2.897 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.014 -3.167 4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.825 -1.589 4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.052 -0.093 2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.543 0.517 4.087 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -10.818 0.439 3.656 1.00 0.00 H new ATOM 1321 N LYS A 84 -11.770 -3.593 6.563 1.00 0.00 N ATOM 1322 CA LYS A 84 -11.376 -4.948 7.043 1.00 0.00 C ATOM 1323 C LYS A 84 -11.480 -5.960 5.895 1.00 0.00 C ATOM 1324 O LYS A 84 -12.344 -5.840 5.048 1.00 0.00 O ATOM 1325 CB LYS A 84 -12.380 -5.285 8.146 1.00 0.00 C ATOM 1326 CG LYS A 84 -13.803 -5.131 7.605 1.00 0.00 C ATOM 1327 CD LYS A 84 -14.709 -6.187 8.242 1.00 0.00 C ATOM 1328 CE LYS A 84 -15.749 -6.655 7.220 1.00 0.00 C ATOM 1329 NZ LYS A 84 -16.701 -5.516 7.090 1.00 0.00 N ATOM 0 H LYS A 84 -12.762 -3.371 6.653 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.349 -4.978 7.406 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.222 -6.304 8.498 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.231 -4.626 9.001 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.181 -4.132 7.825 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -13.805 -5.241 6.521 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.113 -7.034 8.584 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.207 -5.773 9.119 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.284 -6.892 6.263 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -16.257 -7.558 7.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -17.654 -5.881 6.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -16.718 -4.975 7.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -16.397 -4.896 6.312 1.00 0.00 H new ATOM 1343 N PRO A 85 -10.598 -6.930 5.898 1.00 0.00 N ATOM 1344 CA PRO A 85 -10.605 -7.965 4.839 1.00 0.00 C ATOM 1345 C PRO A 85 -11.925 -8.738 4.867 1.00 0.00 C ATOM 1346 O PRO A 85 -12.411 -9.112 5.915 1.00 0.00 O ATOM 1347 CB PRO A 85 -9.430 -8.864 5.237 1.00 0.00 C ATOM 1348 CG PRO A 85 -8.789 -8.302 6.521 1.00 0.00 C ATOM 1349 CD PRO A 85 -9.559 -7.045 6.948 1.00 0.00 C ATOM 0 HA PRO A 85 -10.512 -7.565 3.829 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.775 -9.885 5.403 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.695 -8.902 4.433 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.816 -9.049 7.314 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.741 -8.061 6.345 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -9.996 -7.155 7.940 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.915 -6.166 6.979 1.00 0.00 H new ATOM 1357 N CYS A 86 -12.513 -8.977 3.726 1.00 0.00 N ATOM 1358 CA CYS A 86 -13.804 -9.722 3.704 1.00 0.00 C ATOM 1359 C CYS A 86 -13.739 -10.917 4.658 1.00 0.00 C ATOM 1360 O CYS A 86 -14.740 -11.193 5.299 1.00 0.00 O ATOM 1361 CB CYS A 86 -13.969 -10.198 2.260 1.00 0.00 C ATOM 1362 SG CYS A 86 -15.723 -10.137 1.804 1.00 0.00 S ATOM 1363 OXT CYS A 86 -12.689 -11.535 4.731 1.00 0.00 O ATOM 0 H CYS A 86 -12.158 -8.691 2.814 1.00 0.00 H new ATOM 0 HA CYS A 86 -14.642 -9.102 4.024 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -13.385 -9.568 1.589 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -13.589 -11.214 2.155 1.00 0.00 H new