USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 426 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 9 ASN : amide:sc= -0.288 X(o=-0.89,f=-0.62) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -0.606 USER MOD Set 2.1: A 50 THR OG1 : rot 83:sc=-0.000392 USER MOD Set 2.2: A 52 THR OG1 : rot 180:sc= -0.0229 USER MOD Set 3.1: A 46 TYR OH : rot 46:sc= 1.31 USER MOD Set 3.2: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 45 THR OG1 : rot -5:sc= -0.494! USER MOD Set 4.2: A 54 THR OG1 : rot 155:sc= 0.454 USER MOD Single : A 2 THR OG1 : rot 45:sc= 0.288 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00524 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -102:sc= 0.587 USER MOD Single : A 14 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.0116) USER MOD Single : A 18 THR OG1 : rot 22:sc= 0.166 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.5!) USER MOD Single : A 34 TYR OH : rot 165:sc= -3.28! USER MOD Single : A 36 ASN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.355 K(o=-0.35,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -3.024 -11.560 6.229 1.00 0.00 N ATOM 21 CA THR A 2 -3.068 -10.698 5.011 1.00 0.00 C ATOM 22 C THR A 2 -2.001 -9.601 5.095 1.00 0.00 C ATOM 23 O THR A 2 -2.224 -8.478 4.681 1.00 0.00 O ATOM 24 CB THR A 2 -4.469 -10.082 5.010 1.00 0.00 C ATOM 25 OG1 THR A 2 -5.438 -11.117 5.070 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.670 -9.264 3.732 1.00 0.00 C ATOM 0 HA THR A 2 -2.869 -11.264 4.101 1.00 0.00 H new ATOM 0 HB THR A 2 -4.580 -9.429 5.876 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.169 -11.779 5.741 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.668 -8.826 3.733 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.925 -8.469 3.688 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.560 -9.913 2.863 1.00 0.00 H new ATOM 34 N THR A 3 -0.842 -9.918 5.622 1.00 0.00 N ATOM 35 CA THR A 3 0.242 -8.889 5.726 1.00 0.00 C ATOM 36 C THR A 3 0.608 -8.378 4.332 1.00 0.00 C ATOM 37 O THR A 3 1.450 -8.940 3.656 1.00 0.00 O ATOM 38 CB THR A 3 1.433 -9.605 6.365 1.00 0.00 C ATOM 39 OG1 THR A 3 1.002 -10.290 7.534 1.00 0.00 O ATOM 40 CG2 THR A 3 2.505 -8.579 6.741 1.00 0.00 C ATOM 0 H THR A 3 -0.600 -10.841 5.983 1.00 0.00 H new ATOM 0 HA THR A 3 -0.067 -8.027 6.317 1.00 0.00 H new ATOM 0 HB THR A 3 1.849 -10.321 5.656 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.764 -10.750 7.943 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.354 -9.090 7.196 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.836 -8.054 5.845 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.090 -7.862 7.450 1.00 0.00 H new ATOM 48 N PHE A 4 -0.024 -7.318 3.901 1.00 0.00 N ATOM 49 CA PHE A 4 0.272 -6.762 2.549 1.00 0.00 C ATOM 50 C PHE A 4 1.468 -5.812 2.621 1.00 0.00 C ATOM 51 O PHE A 4 1.679 -5.146 3.616 1.00 0.00 O ATOM 52 CB PHE A 4 -0.998 -6.010 2.147 1.00 0.00 C ATOM 53 CG PHE A 4 -1.898 -6.935 1.366 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.422 -7.545 0.204 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.202 -7.189 1.805 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.245 -8.410 -0.522 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.028 -8.055 1.076 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.549 -8.666 -0.087 1.00 0.00 C ATOM 0 H PHE A 4 -0.735 -6.812 4.430 1.00 0.00 H new ATOM 0 HA PHE A 4 0.530 -7.536 1.826 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.515 -5.645 3.035 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.743 -5.138 1.545 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.416 -7.348 -0.135 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.571 -6.718 2.704 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.874 -8.881 -1.420 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.035 -8.251 1.413 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.185 -9.334 -0.648 1.00 0.00 H new ATOM 68 N LYS A 5 2.252 -5.749 1.574 1.00 0.00 N ATOM 69 CA LYS A 5 3.439 -4.843 1.579 1.00 0.00 C ATOM 70 C LYS A 5 3.202 -3.667 0.625 1.00 0.00 C ATOM 71 O LYS A 5 2.111 -3.490 0.114 1.00 0.00 O ATOM 72 CB LYS A 5 4.609 -5.704 1.091 1.00 0.00 C ATOM 73 CG LYS A 5 4.801 -6.904 2.027 1.00 0.00 C ATOM 74 CD LYS A 5 4.229 -8.166 1.376 1.00 0.00 C ATOM 75 CE LYS A 5 4.509 -9.375 2.272 1.00 0.00 C ATOM 76 NZ LYS A 5 5.808 -9.919 1.790 1.00 0.00 N ATOM 0 H LYS A 5 2.121 -6.286 0.717 1.00 0.00 H new ATOM 0 HA LYS A 5 3.633 -4.423 2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.418 -6.051 0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.521 -5.108 1.058 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.860 -7.043 2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.304 -6.718 2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.156 -8.054 1.223 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.677 -8.316 0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.568 -9.084 3.321 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.716 -10.118 2.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.067 -10.752 2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.720 -10.194 0.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.546 -9.192 1.885 1.00 0.00 H new ATOM 90 N LEU A 6 4.211 -2.862 0.377 1.00 0.00 N ATOM 91 CA LEU A 6 4.022 -1.699 -0.543 1.00 0.00 C ATOM 92 C LEU A 6 5.369 -1.202 -1.077 1.00 0.00 C ATOM 93 O LEU A 6 6.164 -0.638 -0.348 1.00 0.00 O ATOM 94 CB LEU A 6 3.350 -0.627 0.326 1.00 0.00 C ATOM 95 CG LEU A 6 3.166 0.676 -0.468 1.00 0.00 C ATOM 96 CD1 LEU A 6 2.029 0.511 -1.475 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.826 1.814 0.496 1.00 0.00 C ATOM 0 H LEU A 6 5.147 -2.961 0.769 1.00 0.00 H new ATOM 0 HA LEU A 6 3.425 -1.956 -1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.382 -0.987 0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.956 -0.437 1.212 1.00 0.00 H new ATOM 0 HG LEU A 6 4.089 0.907 -1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.902 1.437 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.267 -0.300 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.105 0.278 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.695 2.739 -0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.904 1.578 1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.637 1.937 1.214 1.00 0.00 H new ATOM 109 N ILE A 7 5.605 -1.366 -2.352 1.00 0.00 N ATOM 110 CA ILE A 7 6.871 -0.863 -2.950 1.00 0.00 C ATOM 111 C ILE A 7 6.658 0.601 -3.310 1.00 0.00 C ATOM 112 O ILE A 7 5.770 0.929 -4.079 1.00 0.00 O ATOM 113 CB ILE A 7 7.102 -1.705 -4.206 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.252 -3.175 -3.814 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.378 -1.235 -4.911 1.00 0.00 C ATOM 116 CD1 ILE A 7 6.836 -4.062 -4.989 1.00 0.00 C ATOM 0 H ILE A 7 4.972 -1.828 -3.005 1.00 0.00 H new ATOM 0 HA ILE A 7 7.728 -0.937 -2.281 1.00 0.00 H new ATOM 0 HB ILE A 7 6.252 -1.591 -4.879 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.285 -3.384 -3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.635 -3.395 -2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.542 -1.836 -5.806 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.274 -0.187 -5.192 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.228 -1.348 -4.238 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.943 -5.110 -4.709 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.797 -3.860 -5.247 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.472 -3.849 -5.848 1.00 0.00 H new ATOM 128 N ILE A 8 7.433 1.486 -2.746 1.00 0.00 N ATOM 129 CA ILE A 8 7.232 2.932 -3.047 1.00 0.00 C ATOM 130 C ILE A 8 8.151 3.361 -4.194 1.00 0.00 C ATOM 131 O ILE A 8 9.361 3.351 -4.062 1.00 0.00 O ATOM 132 CB ILE A 8 7.580 3.730 -1.780 1.00 0.00 C ATOM 133 CG1 ILE A 8 7.069 3.029 -0.492 1.00 0.00 C ATOM 134 CG2 ILE A 8 6.945 5.121 -1.905 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.544 3.119 -0.367 1.00 0.00 C ATOM 0 H ILE A 8 8.190 1.274 -2.096 1.00 0.00 H new ATOM 0 HA ILE A 8 6.200 3.115 -3.344 1.00 0.00 H new ATOM 0 HB ILE A 8 8.664 3.801 -1.695 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.373 1.982 -0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.534 3.487 0.381 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.178 5.708 -1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.342 5.624 -2.787 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.864 5.020 -2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.224 2.617 0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.243 4.166 -0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.079 2.638 -1.227 1.00 0.00 H new ATOM 147 N ASN A 9 7.588 3.736 -5.313 1.00 0.00 N ATOM 148 CA ASN A 9 8.427 4.171 -6.470 1.00 0.00 C ATOM 149 C ASN A 9 8.428 5.700 -6.577 1.00 0.00 C ATOM 150 O ASN A 9 7.436 6.347 -6.302 1.00 0.00 O ATOM 151 CB ASN A 9 7.764 3.547 -7.697 1.00 0.00 C ATOM 152 CG ASN A 9 8.625 3.811 -8.933 1.00 0.00 C ATOM 153 OD1 ASN A 9 9.392 2.963 -9.346 1.00 0.00 O ATOM 154 ND2 ASN A 9 8.532 4.960 -9.545 1.00 0.00 N ATOM 0 H ASN A 9 6.581 3.760 -5.476 1.00 0.00 H new ATOM 0 HA ASN A 9 9.467 3.860 -6.367 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.640 2.474 -7.550 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.768 3.967 -7.838 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.103 5.146 -10.370 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.889 5.672 -9.199 1.00 0.00 H new ATOM 161 N GLY A 10 9.535 6.276 -6.975 1.00 0.00 N ATOM 162 CA GLY A 10 9.607 7.762 -7.103 1.00 0.00 C ATOM 163 C GLY A 10 10.790 8.292 -6.289 1.00 0.00 C ATOM 164 O GLY A 10 11.874 7.743 -6.325 1.00 0.00 O ATOM 0 H GLY A 10 10.393 5.780 -7.217 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.719 8.042 -8.151 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.679 8.213 -6.750 1.00 0.00 H new ATOM 168 N LYS A 11 10.584 9.357 -5.556 1.00 0.00 N ATOM 169 CA LYS A 11 11.691 9.932 -4.731 1.00 0.00 C ATOM 170 C LYS A 11 11.205 10.191 -3.300 1.00 0.00 C ATOM 171 O LYS A 11 11.679 11.085 -2.626 1.00 0.00 O ATOM 172 CB LYS A 11 12.075 11.247 -5.423 1.00 0.00 C ATOM 173 CG LYS A 11 10.858 12.175 -5.505 1.00 0.00 C ATOM 174 CD LYS A 11 11.234 13.446 -6.270 1.00 0.00 C ATOM 175 CE LYS A 11 12.138 14.322 -5.400 1.00 0.00 C ATOM 176 NZ LYS A 11 11.795 15.722 -5.779 1.00 0.00 N ATOM 0 H LYS A 11 9.696 9.854 -5.493 1.00 0.00 H new ATOM 0 HA LYS A 11 12.542 9.255 -4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.878 11.736 -4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.454 11.043 -6.424 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.034 11.667 -6.006 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.514 12.430 -4.503 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.745 13.186 -7.197 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.334 13.996 -6.546 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.958 14.144 -4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.191 14.109 -5.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.374 16.384 -5.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.982 15.863 -6.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.788 15.897 -5.586 1.00 0.00 H new ATOM 190 N THR A 12 10.263 9.408 -2.840 1.00 0.00 N ATOM 191 CA THR A 12 9.733 9.589 -1.455 1.00 0.00 C ATOM 192 C THR A 12 9.515 8.226 -0.803 1.00 0.00 C ATOM 193 O THR A 12 9.177 7.266 -1.462 1.00 0.00 O ATOM 194 CB THR A 12 8.402 10.325 -1.629 1.00 0.00 C ATOM 195 OG1 THR A 12 7.675 9.745 -2.706 1.00 0.00 O ATOM 196 CG2 THR A 12 8.668 11.803 -1.922 1.00 0.00 C ATOM 0 H THR A 12 9.836 8.647 -3.368 1.00 0.00 H new ATOM 0 HA THR A 12 10.418 10.145 -0.815 1.00 0.00 H new ATOM 0 HB THR A 12 7.818 10.240 -0.713 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.761 10.311 -3.501 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.720 12.326 -2.046 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.220 12.245 -1.093 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.254 11.893 -2.837 1.00 0.00 H new ATOM 204 N LEU A 13 9.699 8.144 0.496 1.00 0.00 N ATOM 205 CA LEU A 13 9.510 6.850 1.239 1.00 0.00 C ATOM 206 C LEU A 13 10.475 5.771 0.729 1.00 0.00 C ATOM 207 O LEU A 13 11.461 5.461 1.369 1.00 0.00 O ATOM 208 CB LEU A 13 8.052 6.419 1.004 1.00 0.00 C ATOM 209 CG LEU A 13 7.187 6.795 2.209 1.00 0.00 C ATOM 210 CD1 LEU A 13 5.732 6.387 1.934 1.00 0.00 C ATOM 211 CD2 LEU A 13 7.691 6.065 3.460 1.00 0.00 C ATOM 0 H LEU A 13 9.976 8.931 1.083 1.00 0.00 H new ATOM 0 HA LEU A 13 9.720 6.983 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.664 6.899 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.006 5.343 0.836 1.00 0.00 H new ATOM 0 HG LEU A 13 7.245 7.871 2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.112 6.653 2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.370 6.907 1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.681 5.311 1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.071 6.337 4.314 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.636 4.988 3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.725 6.350 3.656 1.00 0.00 H new ATOM 223 N LYS A 14 10.189 5.191 -0.411 1.00 0.00 N ATOM 224 CA LYS A 14 11.070 4.117 -0.979 1.00 0.00 C ATOM 225 C LYS A 14 11.269 2.989 0.040 1.00 0.00 C ATOM 226 O LYS A 14 12.085 3.089 0.938 1.00 0.00 O ATOM 227 CB LYS A 14 12.405 4.801 -1.301 1.00 0.00 C ATOM 228 CG LYS A 14 12.195 5.868 -2.388 1.00 0.00 C ATOM 229 CD LYS A 14 13.204 5.663 -3.522 1.00 0.00 C ATOM 230 CE LYS A 14 14.602 6.054 -3.040 1.00 0.00 C ATOM 231 NZ LYS A 14 14.687 7.525 -3.265 1.00 0.00 N ATOM 0 H LYS A 14 9.374 5.417 -0.980 1.00 0.00 H new ATOM 0 HA LYS A 14 10.630 3.663 -1.867 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.815 5.261 -0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.131 4.061 -1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.179 5.807 -2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.313 6.864 -1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.197 4.622 -3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.924 6.266 -4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.741 5.807 -1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.375 5.524 -3.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.346 7.944 -2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.029 7.709 -4.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.745 7.950 -3.145 1.00 0.00 H new ATOM 245 N GLY A 15 10.525 1.919 -0.096 1.00 0.00 N ATOM 246 CA GLY A 15 10.662 0.780 0.858 1.00 0.00 C ATOM 247 C GLY A 15 9.539 -0.234 0.621 1.00 0.00 C ATOM 248 O GLY A 15 8.673 -0.035 -0.209 1.00 0.00 O ATOM 0 H GLY A 15 9.828 1.787 -0.829 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.632 0.299 0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.623 1.146 1.884 1.00 0.00 H new ATOM 252 N GLU A 16 9.555 -1.321 1.350 1.00 0.00 N ATOM 253 CA GLU A 16 8.497 -2.364 1.186 1.00 0.00 C ATOM 254 C GLU A 16 7.998 -2.824 2.557 1.00 0.00 C ATOM 255 O GLU A 16 8.018 -3.998 2.874 1.00 0.00 O ATOM 256 CB GLU A 16 9.192 -3.514 0.453 1.00 0.00 C ATOM 257 CG GLU A 16 9.050 -3.316 -1.057 1.00 0.00 C ATOM 258 CD GLU A 16 9.607 -4.541 -1.786 1.00 0.00 C ATOM 259 OE1 GLU A 16 9.004 -5.596 -1.675 1.00 0.00 O ATOM 260 OE2 GLU A 16 10.625 -4.403 -2.443 1.00 0.00 O ATOM 0 H GLU A 16 10.260 -1.532 2.056 1.00 0.00 H new ATOM 0 HA GLU A 16 7.629 -1.996 0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.246 -3.551 0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.752 -4.466 0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.002 -3.169 -1.318 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.585 -2.419 -1.369 1.00 0.00 H new ATOM 267 N ILE A 17 7.543 -1.903 3.371 1.00 0.00 N ATOM 268 CA ILE A 17 7.030 -2.278 4.728 1.00 0.00 C ATOM 269 C ILE A 17 5.882 -3.282 4.591 1.00 0.00 C ATOM 270 O ILE A 17 5.358 -3.482 3.513 1.00 0.00 O ATOM 271 CB ILE A 17 6.535 -0.971 5.360 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.473 -0.322 4.462 1.00 0.00 C ATOM 273 CG2 ILE A 17 7.712 -0.008 5.526 1.00 0.00 C ATOM 274 CD1 ILE A 17 4.600 0.615 5.300 1.00 0.00 C ATOM 0 H ILE A 17 7.504 -0.907 3.155 1.00 0.00 H new ATOM 0 HA ILE A 17 7.798 -2.748 5.342 1.00 0.00 H new ATOM 0 HB ILE A 17 6.097 -1.190 6.334 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.953 0.234 3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.857 -1.091 3.996 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.361 0.921 5.975 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.465 -0.461 6.171 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.150 0.203 4.550 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.846 1.076 4.663 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.109 0.046 6.090 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.223 1.391 5.745 1.00 0.00 H new ATOM 286 N THR A 18 5.495 -3.916 5.668 1.00 0.00 N ATOM 287 CA THR A 18 4.383 -4.911 5.595 1.00 0.00 C ATOM 288 C THR A 18 3.332 -4.607 6.663 1.00 0.00 C ATOM 289 O THR A 18 3.659 -4.276 7.787 1.00 0.00 O ATOM 290 CB THR A 18 5.041 -6.268 5.862 1.00 0.00 C ATOM 291 OG1 THR A 18 5.634 -6.258 7.152 1.00 0.00 O ATOM 292 CG2 THR A 18 6.118 -6.543 4.807 1.00 0.00 C ATOM 0 H THR A 18 5.901 -3.788 6.595 1.00 0.00 H new ATOM 0 HA THR A 18 3.874 -4.889 4.631 1.00 0.00 H new ATOM 0 HB THR A 18 4.284 -7.050 5.812 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.207 -5.569 7.703 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.581 -7.510 5.004 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.663 -6.553 3.817 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.877 -5.762 4.849 1.00 0.00 H new ATOM 300 N ILE A 19 2.072 -4.719 6.321 1.00 0.00 N ATOM 301 CA ILE A 19 0.996 -4.437 7.324 1.00 0.00 C ATOM 302 C ILE A 19 -0.146 -5.452 7.202 1.00 0.00 C ATOM 303 O ILE A 19 -0.557 -5.810 6.114 1.00 0.00 O ATOM 304 CB ILE A 19 0.499 -3.016 7.012 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.085 -2.955 5.594 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.665 -2.031 7.123 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.603 -3.148 5.655 1.00 0.00 C ATOM 0 H ILE A 19 1.742 -4.992 5.395 1.00 0.00 H new ATOM 0 HA ILE A 19 1.371 -4.516 8.344 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.279 -2.750 7.728 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.152 -1.996 5.133 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.365 -3.728 4.971 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.313 -1.024 6.902 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.070 -2.060 8.134 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.444 -2.307 6.412 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.016 -3.104 4.647 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.829 -4.118 6.098 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.046 -2.359 6.263 1.00 0.00 H new ATOM 319 N GLU A 20 -0.665 -5.906 8.316 1.00 0.00 N ATOM 320 CA GLU A 20 -1.789 -6.890 8.281 1.00 0.00 C ATOM 321 C GLU A 20 -3.100 -6.159 7.984 1.00 0.00 C ATOM 322 O GLU A 20 -3.432 -5.182 8.628 1.00 0.00 O ATOM 323 CB GLU A 20 -1.825 -7.511 9.684 1.00 0.00 C ATOM 324 CG GLU A 20 -1.269 -8.937 9.632 1.00 0.00 C ATOM 325 CD GLU A 20 -2.003 -9.809 10.652 1.00 0.00 C ATOM 326 OE1 GLU A 20 -3.211 -9.676 10.756 1.00 0.00 O ATOM 327 OE2 GLU A 20 -1.344 -10.593 11.315 1.00 0.00 O ATOM 0 H GLU A 20 -0.357 -5.636 9.250 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.656 -7.649 7.510 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.238 -6.906 10.375 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.848 -7.523 10.061 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.391 -9.350 8.631 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.200 -8.930 9.846 1.00 0.00 H new ATOM 334 N ALA A 21 -3.841 -6.621 7.009 1.00 0.00 N ATOM 335 CA ALA A 21 -5.127 -5.950 6.662 1.00 0.00 C ATOM 336 C ALA A 21 -6.229 -6.984 6.446 1.00 0.00 C ATOM 337 O ALA A 21 -6.113 -8.130 6.838 1.00 0.00 O ATOM 338 CB ALA A 21 -4.841 -5.199 5.362 1.00 0.00 C ATOM 0 H ALA A 21 -3.610 -7.434 6.439 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.469 -5.286 7.455 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.741 -4.676 5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.042 -4.477 5.527 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.536 -5.908 4.592 1.00 0.00 H new ATOM 344 N VAL A 22 -7.292 -6.576 5.817 1.00 0.00 N ATOM 345 CA VAL A 22 -8.424 -7.500 5.545 1.00 0.00 C ATOM 346 C VAL A 22 -8.193 -8.144 4.184 1.00 0.00 C ATOM 347 O VAL A 22 -8.073 -9.345 4.048 1.00 0.00 O ATOM 348 CB VAL A 22 -9.703 -6.649 5.494 1.00 0.00 C ATOM 349 CG1 VAL A 22 -10.898 -7.512 5.896 1.00 0.00 C ATOM 350 CG2 VAL A 22 -9.626 -5.432 6.430 1.00 0.00 C ATOM 0 H VAL A 22 -7.427 -5.625 5.474 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.507 -8.273 6.309 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.816 -6.281 4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.808 -6.913 5.861 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.990 -8.351 5.206 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.750 -7.889 6.908 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.552 -4.860 6.361 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.485 -5.771 7.456 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.787 -4.801 6.138 1.00 0.00 H new ATOM 360 N ASP A 23 -8.112 -7.317 3.185 1.00 0.00 N ATOM 361 CA ASP A 23 -7.865 -7.795 1.801 1.00 0.00 C ATOM 362 C ASP A 23 -6.987 -6.763 1.105 1.00 0.00 C ATOM 363 O ASP A 23 -6.548 -5.810 1.727 1.00 0.00 O ATOM 364 CB ASP A 23 -9.244 -7.872 1.144 1.00 0.00 C ATOM 365 CG ASP A 23 -9.837 -9.266 1.358 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.382 -10.188 0.702 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.736 -9.388 2.173 1.00 0.00 O ATOM 0 H ASP A 23 -8.209 -6.305 3.272 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.364 -8.762 1.755 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.904 -7.116 1.570 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.162 -7.660 0.078 1.00 0.00 H new ATOM 372 N ALA A 24 -6.722 -6.920 -0.166 1.00 0.00 N ATOM 373 CA ALA A 24 -5.867 -5.915 -0.862 1.00 0.00 C ATOM 374 C ALA A 24 -6.552 -4.547 -0.829 1.00 0.00 C ATOM 375 O ALA A 24 -5.908 -3.526 -0.709 1.00 0.00 O ATOM 376 CB ALA A 24 -5.723 -6.403 -2.303 1.00 0.00 C ATOM 0 H ALA A 24 -7.056 -7.690 -0.745 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.893 -5.811 -0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.104 -5.703 -2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.255 -7.387 -2.309 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.708 -6.467 -2.766 1.00 0.00 H new ATOM 382 N ALA A 25 -7.858 -4.526 -0.929 1.00 0.00 N ATOM 383 CA ALA A 25 -8.604 -3.231 -0.904 1.00 0.00 C ATOM 384 C ALA A 25 -8.275 -2.443 0.369 1.00 0.00 C ATOM 385 O ALA A 25 -7.847 -1.305 0.310 1.00 0.00 O ATOM 386 CB ALA A 25 -10.086 -3.614 -0.925 1.00 0.00 C ATOM 0 H ALA A 25 -8.443 -5.356 -1.027 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.336 -2.595 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.696 -2.711 -0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.302 -4.181 -1.830 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.317 -4.224 -0.051 1.00 0.00 H new ATOM 392 N GLU A 26 -8.471 -3.045 1.514 1.00 0.00 N ATOM 393 CA GLU A 26 -8.168 -2.339 2.796 1.00 0.00 C ATOM 394 C GLU A 26 -6.680 -1.996 2.861 1.00 0.00 C ATOM 395 O GLU A 26 -6.313 -0.848 3.020 1.00 0.00 O ATOM 396 CB GLU A 26 -8.554 -3.327 3.899 1.00 0.00 C ATOM 397 CG GLU A 26 -9.926 -2.947 4.467 1.00 0.00 C ATOM 398 CD GLU A 26 -9.741 -2.096 5.725 1.00 0.00 C ATOM 399 OE1 GLU A 26 -9.575 -2.672 6.788 1.00 0.00 O ATOM 400 OE2 GLU A 26 -9.769 -0.882 5.604 1.00 0.00 O ATOM 0 H GLU A 26 -8.828 -3.995 1.617 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.713 -1.400 2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.582 -4.341 3.500 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.805 -3.316 4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.499 -2.394 3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.495 -3.846 4.704 1.00 0.00 H new ATOM 407 N ALA A 27 -5.818 -2.980 2.731 1.00 0.00 N ATOM 408 CA ALA A 27 -4.338 -2.704 2.769 1.00 0.00 C ATOM 409 C ALA A 27 -3.984 -1.558 1.814 1.00 0.00 C ATOM 410 O ALA A 27 -3.210 -0.679 2.147 1.00 0.00 O ATOM 411 CB ALA A 27 -3.660 -3.991 2.299 1.00 0.00 C ATOM 0 H ALA A 27 -6.071 -3.959 2.601 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.015 -2.413 3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.578 -3.855 2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.926 -4.808 2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.991 -4.228 1.288 1.00 0.00 H new ATOM 417 N GLU A 28 -4.564 -1.553 0.636 1.00 0.00 N ATOM 418 CA GLU A 28 -4.277 -0.453 -0.335 1.00 0.00 C ATOM 419 C GLU A 28 -4.695 0.884 0.280 1.00 0.00 C ATOM 420 O GLU A 28 -4.046 1.888 0.080 1.00 0.00 O ATOM 421 CB GLU A 28 -5.106 -0.767 -1.585 1.00 0.00 C ATOM 422 CG GLU A 28 -4.530 -0.015 -2.789 1.00 0.00 C ATOM 423 CD GLU A 28 -5.669 0.426 -3.711 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.589 1.060 -3.220 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.601 0.123 -4.890 1.00 0.00 O ATOM 0 H GLU A 28 -5.221 -2.261 0.308 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.218 -0.383 -0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.100 -1.840 -1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.145 -0.478 -1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.965 0.854 -2.452 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.836 -0.656 -3.333 1.00 0.00 H new ATOM 432 N LYS A 29 -5.760 0.896 1.053 1.00 0.00 N ATOM 433 CA LYS A 29 -6.196 2.169 1.706 1.00 0.00 C ATOM 434 C LYS A 29 -5.218 2.510 2.832 1.00 0.00 C ATOM 435 O LYS A 29 -4.740 3.626 2.938 1.00 0.00 O ATOM 436 CB LYS A 29 -7.594 1.894 2.265 1.00 0.00 C ATOM 437 CG LYS A 29 -8.596 1.775 1.111 1.00 0.00 C ATOM 438 CD LYS A 29 -9.921 2.430 1.511 1.00 0.00 C ATOM 439 CE LYS A 29 -9.796 3.951 1.391 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.381 4.281 0.062 1.00 0.00 N ATOM 0 H LYS A 29 -6.341 0.082 1.257 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.214 3.011 1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.588 0.975 2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.892 2.698 2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.196 2.256 0.218 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.758 0.726 0.863 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.725 2.069 0.870 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.180 2.155 2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.332 4.456 2.195 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.755 4.268 1.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.332 5.308 -0.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.846 3.792 -0.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.374 3.974 0.034 1.00 0.00 H new ATOM 454 N ILE A 30 -4.890 1.539 3.655 1.00 0.00 N ATOM 455 CA ILE A 30 -3.909 1.786 4.761 1.00 0.00 C ATOM 456 C ILE A 30 -2.589 2.244 4.139 1.00 0.00 C ATOM 457 O ILE A 30 -1.903 3.105 4.656 1.00 0.00 O ATOM 458 CB ILE A 30 -3.729 0.434 5.465 1.00 0.00 C ATOM 459 CG1 ILE A 30 -5.068 -0.037 6.044 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.716 0.572 6.608 1.00 0.00 C ATOM 461 CD1 ILE A 30 -5.008 -1.544 6.316 1.00 0.00 C ATOM 0 H ILE A 30 -5.259 0.589 3.608 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.243 2.550 5.463 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.367 -0.293 4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.286 0.501 6.967 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.876 0.185 5.347 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.593 -0.391 7.103 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.757 0.899 6.207 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.077 1.307 7.328 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.961 -1.878 6.728 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.810 -2.074 5.385 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.211 -1.753 7.030 1.00 0.00 H new ATOM 473 N PHE A 31 -2.258 1.676 3.011 1.00 0.00 N ATOM 474 CA PHE A 31 -1.007 2.067 2.304 1.00 0.00 C ATOM 475 C PHE A 31 -1.233 3.404 1.597 1.00 0.00 C ATOM 476 O PHE A 31 -0.347 4.233 1.514 1.00 0.00 O ATOM 477 CB PHE A 31 -0.760 0.947 1.290 1.00 0.00 C ATOM 478 CG PHE A 31 0.049 -0.151 1.935 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.266 0.154 2.554 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.415 -1.473 1.911 1.00 0.00 C ATOM 481 CE1 PHE A 31 2.022 -0.861 3.149 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.343 -2.489 2.506 1.00 0.00 C ATOM 483 CZ PHE A 31 1.563 -2.181 3.126 1.00 0.00 C ATOM 0 H PHE A 31 -2.806 0.952 2.546 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.156 2.190 2.973 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.710 0.550 0.933 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.232 1.339 0.421 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.622 1.174 2.572 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.355 -1.708 1.435 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.961 -0.625 3.627 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.011 -3.509 2.488 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.148 -2.964 3.586 1.00 0.00 H new ATOM 493 N LYS A 32 -2.426 3.616 1.096 1.00 0.00 N ATOM 494 CA LYS A 32 -2.743 4.895 0.398 1.00 0.00 C ATOM 495 C LYS A 32 -2.978 6.036 1.400 1.00 0.00 C ATOM 496 O LYS A 32 -3.224 7.161 1.008 1.00 0.00 O ATOM 497 CB LYS A 32 -4.012 4.625 -0.402 1.00 0.00 C ATOM 498 CG LYS A 32 -3.640 3.934 -1.713 1.00 0.00 C ATOM 499 CD LYS A 32 -4.909 3.490 -2.441 1.00 0.00 C ATOM 500 CE LYS A 32 -5.390 4.615 -3.361 1.00 0.00 C ATOM 501 NZ LYS A 32 -6.873 4.623 -3.217 1.00 0.00 N ATOM 0 H LYS A 32 -3.198 2.951 1.143 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.916 5.208 -0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.693 3.998 0.173 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.534 5.560 -0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.067 4.614 -2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.004 3.072 -1.513 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.711 2.590 -3.023 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.686 3.239 -1.719 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.960 5.574 -3.070 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.095 4.433 -4.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.276 5.369 -3.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.255 3.700 -3.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.124 4.805 -2.224 1.00 0.00 H new ATOM 515 N GLN A 33 -2.860 5.772 2.679 1.00 0.00 N ATOM 516 CA GLN A 33 -3.026 6.859 3.693 1.00 0.00 C ATOM 517 C GLN A 33 -1.628 7.136 4.213 1.00 0.00 C ATOM 518 O GLN A 33 -1.163 8.255 4.290 1.00 0.00 O ATOM 519 CB GLN A 33 -3.921 6.269 4.785 1.00 0.00 C ATOM 520 CG GLN A 33 -4.106 7.295 5.904 1.00 0.00 C ATOM 521 CD GLN A 33 -5.379 6.971 6.687 1.00 0.00 C ATOM 522 OE1 GLN A 33 -6.361 6.532 6.120 1.00 0.00 O ATOM 523 NE2 GLN A 33 -5.405 7.170 7.977 1.00 0.00 N ATOM 0 H GLN A 33 -2.656 4.850 3.064 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.470 7.781 3.318 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.889 5.993 4.367 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.474 5.358 5.183 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.243 7.282 6.570 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.170 8.299 5.485 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.581 7.538 8.453 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.249 6.957 8.509 1.00 0.00 H new ATOM 532 N TYR A 34 -0.943 6.066 4.493 1.00 0.00 N ATOM 533 CA TYR A 34 0.475 6.113 4.937 1.00 0.00 C ATOM 534 C TYR A 34 1.286 6.952 3.924 1.00 0.00 C ATOM 535 O TYR A 34 2.197 7.676 4.276 1.00 0.00 O ATOM 536 CB TYR A 34 0.844 4.616 4.893 1.00 0.00 C ATOM 537 CG TYR A 34 2.336 4.394 4.733 1.00 0.00 C ATOM 538 CD1 TYR A 34 3.225 4.872 5.702 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.823 3.707 3.614 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.601 4.662 5.555 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.199 3.497 3.467 1.00 0.00 C ATOM 542 CZ TYR A 34 5.087 3.974 4.437 1.00 0.00 C ATOM 543 OH TYR A 34 6.445 3.766 4.291 1.00 0.00 O ATOM 0 H TYR A 34 -1.325 5.122 4.429 1.00 0.00 H new ATOM 0 HA TYR A 34 0.663 6.568 5.910 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.504 4.133 5.809 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.317 4.139 4.067 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.849 5.403 6.564 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.137 3.339 2.865 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.287 5.030 6.303 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.575 2.967 2.605 1.00 0.00 H new ATOM 0 HH TYR A 34 6.599 3.081 3.608 1.00 0.00 H new ATOM 553 N ALA A 35 0.927 6.853 2.668 1.00 0.00 N ATOM 554 CA ALA A 35 1.628 7.633 1.601 1.00 0.00 C ATOM 555 C ALA A 35 1.275 9.117 1.722 1.00 0.00 C ATOM 556 O ALA A 35 2.141 9.972 1.755 1.00 0.00 O ATOM 557 CB ALA A 35 1.083 7.077 0.285 1.00 0.00 C ATOM 0 H ALA A 35 0.169 6.258 2.333 1.00 0.00 H new ATOM 0 HA ALA A 35 2.712 7.546 1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.549 7.599 -0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.307 6.012 0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.004 7.223 0.248 1.00 0.00 H new ATOM 563 N ASN A 36 0.005 9.424 1.785 1.00 0.00 N ATOM 564 CA ASN A 36 -0.429 10.852 1.901 1.00 0.00 C ATOM 565 C ASN A 36 0.156 11.486 3.164 1.00 0.00 C ATOM 566 O ASN A 36 0.692 12.578 3.132 1.00 0.00 O ATOM 567 CB ASN A 36 -1.952 10.805 1.993 1.00 0.00 C ATOM 568 CG ASN A 36 -2.554 10.761 0.585 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.220 11.688 0.169 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.350 9.717 -0.170 1.00 0.00 N ATOM 0 H ASN A 36 -0.755 8.745 1.761 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.089 11.449 1.055 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.265 9.928 2.560 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.321 11.679 2.529 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.749 9.680 -1.108 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.791 8.938 0.177 1.00 0.00 H new ATOM 577 N ASP A 37 0.049 10.807 4.279 1.00 0.00 N ATOM 578 CA ASP A 37 0.594 11.361 5.561 1.00 0.00 C ATOM 579 C ASP A 37 2.078 11.713 5.423 1.00 0.00 C ATOM 580 O ASP A 37 2.605 12.523 6.162 1.00 0.00 O ATOM 581 CB ASP A 37 0.400 10.250 6.595 1.00 0.00 C ATOM 582 CG ASP A 37 -0.017 10.862 7.934 1.00 0.00 C ATOM 583 OD1 ASP A 37 -1.091 11.438 7.991 1.00 0.00 O ATOM 584 OD2 ASP A 37 0.745 10.745 8.879 1.00 0.00 O ATOM 0 H ASP A 37 -0.393 9.891 4.359 1.00 0.00 H new ATOM 0 HA ASP A 37 0.085 12.281 5.847 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.360 9.549 6.252 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.324 9.685 6.714 1.00 0.00 H new ATOM 589 N ASN A 38 2.750 11.109 4.482 1.00 0.00 N ATOM 590 CA ASN A 38 4.192 11.393 4.280 1.00 0.00 C ATOM 591 C ASN A 38 4.394 12.281 3.047 1.00 0.00 C ATOM 592 O ASN A 38 5.304 13.086 2.995 1.00 0.00 O ATOM 593 CB ASN A 38 4.843 10.024 4.076 1.00 0.00 C ATOM 594 CG ASN A 38 6.361 10.191 3.975 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.856 10.797 3.047 1.00 0.00 O ATOM 596 ND2 ASN A 38 7.124 9.676 4.901 1.00 0.00 N ATOM 0 H ASN A 38 2.354 10.424 3.839 1.00 0.00 H new ATOM 0 HA ASN A 38 4.629 11.927 5.124 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.594 9.363 4.906 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.457 9.557 3.170 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.137 9.783 4.845 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.707 9.167 5.680 1.00 0.00 H new ATOM 603 N GLY A 39 3.546 12.142 2.058 1.00 0.00 N ATOM 604 CA GLY A 39 3.678 12.979 0.825 1.00 0.00 C ATOM 605 C GLY A 39 3.916 12.084 -0.395 1.00 0.00 C ATOM 606 O GLY A 39 4.629 12.449 -1.309 1.00 0.00 O ATOM 0 H GLY A 39 2.767 11.484 2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.775 13.572 0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.505 13.680 0.939 1.00 0.00 H new ATOM 610 N ILE A 40 3.323 10.916 -0.415 1.00 0.00 N ATOM 611 CA ILE A 40 3.505 9.992 -1.573 1.00 0.00 C ATOM 612 C ILE A 40 2.261 10.060 -2.466 1.00 0.00 C ATOM 613 O ILE A 40 1.190 9.616 -2.097 1.00 0.00 O ATOM 614 CB ILE A 40 3.721 8.612 -0.911 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.211 8.429 -0.654 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.233 7.446 -1.776 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.635 9.398 0.438 1.00 0.00 C ATOM 0 H ILE A 40 2.718 10.563 0.326 1.00 0.00 H new ATOM 0 HA ILE A 40 4.342 10.234 -2.228 1.00 0.00 H new ATOM 0 HB ILE A 40 3.140 8.599 0.011 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.420 7.403 -0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.778 8.614 -1.566 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.413 6.506 -1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.165 7.556 -1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.772 7.445 -2.723 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.701 9.280 0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.436 10.420 0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.073 9.189 1.348 1.00 0.00 H new ATOM 629 N ASP A 41 2.407 10.627 -3.631 1.00 0.00 N ATOM 630 CA ASP A 41 1.240 10.748 -4.562 1.00 0.00 C ATOM 631 C ASP A 41 1.672 10.560 -6.023 1.00 0.00 C ATOM 632 O ASP A 41 2.365 11.385 -6.589 1.00 0.00 O ATOM 633 CB ASP A 41 0.694 12.163 -4.340 1.00 0.00 C ATOM 634 CG ASP A 41 1.788 13.199 -4.619 1.00 0.00 C ATOM 635 OD1 ASP A 41 2.774 13.197 -3.900 1.00 0.00 O ATOM 636 OD2 ASP A 41 1.621 13.973 -5.546 1.00 0.00 O ATOM 0 H ASP A 41 3.283 11.013 -3.983 1.00 0.00 H new ATOM 0 HA ASP A 41 0.490 9.982 -4.365 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.160 12.339 -4.995 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.337 12.267 -3.315 1.00 0.00 H new ATOM 641 N GLY A 42 1.254 9.481 -6.635 1.00 0.00 N ATOM 642 CA GLY A 42 1.614 9.222 -8.061 1.00 0.00 C ATOM 643 C GLY A 42 0.718 8.109 -8.613 1.00 0.00 C ATOM 644 O GLY A 42 -0.468 8.301 -8.807 1.00 0.00 O ATOM 0 H GLY A 42 0.673 8.762 -6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.490 10.131 -8.650 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.662 8.933 -8.137 1.00 0.00 H new ATOM 648 N GLU A 43 1.272 6.947 -8.866 1.00 0.00 N ATOM 649 CA GLU A 43 0.441 5.819 -9.404 1.00 0.00 C ATOM 650 C GLU A 43 0.230 4.748 -8.325 1.00 0.00 C ATOM 651 O GLU A 43 0.719 4.872 -7.226 1.00 0.00 O ATOM 652 CB GLU A 43 1.251 5.253 -10.576 1.00 0.00 C ATOM 653 CG GLU A 43 0.334 5.032 -11.781 1.00 0.00 C ATOM 654 CD GLU A 43 0.001 6.380 -12.423 1.00 0.00 C ATOM 655 OE1 GLU A 43 0.876 6.944 -13.059 1.00 0.00 O ATOM 656 OE2 GLU A 43 -1.125 6.824 -12.270 1.00 0.00 O ATOM 0 H GLU A 43 2.259 6.730 -8.725 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.550 6.150 -9.715 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.055 5.940 -10.840 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.719 4.312 -10.286 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.821 4.382 -12.508 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.582 4.530 -11.468 1.00 0.00 H new ATOM 663 N TRP A 44 -0.496 3.701 -8.640 1.00 0.00 N ATOM 664 CA TRP A 44 -0.752 2.607 -7.643 1.00 0.00 C ATOM 665 C TRP A 44 -1.053 1.300 -8.373 1.00 0.00 C ATOM 666 O TRP A 44 -1.899 1.252 -9.248 1.00 0.00 O ATOM 667 CB TRP A 44 -1.995 3.041 -6.861 1.00 0.00 C ATOM 668 CG TRP A 44 -1.603 3.901 -5.713 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.520 5.251 -5.732 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.256 3.486 -4.370 1.00 0.00 C ATOM 671 NE1 TRP A 44 -1.127 5.689 -4.482 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.951 4.635 -3.607 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.172 2.228 -3.752 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.574 4.542 -2.269 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.791 2.129 -2.402 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.491 3.286 -1.665 1.00 0.00 C ATOM 0 H TRP A 44 -0.927 3.555 -9.553 1.00 0.00 H new ATOM 0 HA TRP A 44 0.109 2.447 -6.995 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.675 3.585 -7.517 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.532 2.164 -6.501 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.727 5.882 -6.584 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.985 6.669 -4.236 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.400 1.335 -4.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.348 5.434 -1.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.729 1.159 -1.930 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.196 3.204 -0.629 1.00 0.00 H new ATOM 687 N THR A 45 -0.382 0.240 -8.013 1.00 0.00 N ATOM 688 CA THR A 45 -0.644 -1.074 -8.679 1.00 0.00 C ATOM 689 C THR A 45 -0.563 -2.184 -7.643 1.00 0.00 C ATOM 690 O THR A 45 0.363 -2.238 -6.858 1.00 0.00 O ATOM 691 CB THR A 45 0.442 -1.268 -9.752 1.00 0.00 C ATOM 692 OG1 THR A 45 1.648 -1.705 -9.144 1.00 0.00 O ATOM 693 CG2 THR A 45 0.695 0.040 -10.500 1.00 0.00 C ATOM 0 H THR A 45 0.336 0.224 -7.288 1.00 0.00 H new ATOM 0 HA THR A 45 -1.634 -1.097 -9.134 1.00 0.00 H new ATOM 0 HB THR A 45 0.097 -2.020 -10.461 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.541 -1.709 -8.170 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.466 -0.116 -11.255 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.226 0.367 -10.983 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.026 0.804 -9.796 1.00 0.00 H new ATOM 701 N TYR A 46 -1.520 -3.066 -7.642 1.00 0.00 N ATOM 702 CA TYR A 46 -1.502 -4.183 -6.656 1.00 0.00 C ATOM 703 C TYR A 46 -0.940 -5.450 -7.313 1.00 0.00 C ATOM 704 O TYR A 46 -1.320 -5.813 -8.411 1.00 0.00 O ATOM 705 CB TYR A 46 -2.967 -4.380 -6.229 1.00 0.00 C ATOM 706 CG TYR A 46 -3.084 -5.622 -5.370 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.318 -5.738 -4.205 1.00 0.00 C ATOM 708 CD2 TYR A 46 -3.935 -6.663 -5.756 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.407 -6.893 -3.420 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.023 -7.821 -4.974 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.261 -7.936 -3.807 1.00 0.00 C ATOM 712 OH TYR A 46 -3.352 -9.078 -3.040 1.00 0.00 O ATOM 0 H TYR A 46 -2.315 -3.063 -8.281 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.869 -3.967 -5.796 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.315 -3.508 -5.675 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.603 -4.473 -7.109 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.658 -4.936 -3.911 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.524 -6.573 -6.657 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.819 -6.981 -2.518 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.679 -8.625 -5.272 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.433 -8.832 -2.095 1.00 0.00 H new ATOM 722 N ASP A 47 -0.053 -6.129 -6.633 1.00 0.00 N ATOM 723 CA ASP A 47 0.525 -7.383 -7.192 1.00 0.00 C ATOM 724 C ASP A 47 -0.106 -8.588 -6.491 1.00 0.00 C ATOM 725 O ASP A 47 0.288 -8.957 -5.399 1.00 0.00 O ATOM 726 CB ASP A 47 2.023 -7.308 -6.899 1.00 0.00 C ATOM 727 CG ASP A 47 2.625 -6.093 -7.605 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.199 -5.804 -8.711 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.502 -5.471 -7.029 1.00 0.00 O ATOM 0 H ASP A 47 0.296 -5.866 -5.711 1.00 0.00 H new ATOM 0 HA ASP A 47 0.338 -7.491 -8.260 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.190 -7.236 -5.824 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.516 -8.219 -7.238 1.00 0.00 H new ATOM 734 N ASP A 48 -1.083 -9.199 -7.113 1.00 0.00 N ATOM 735 CA ASP A 48 -1.756 -10.383 -6.491 1.00 0.00 C ATOM 736 C ASP A 48 -0.835 -11.618 -6.486 1.00 0.00 C ATOM 737 O ASP A 48 -1.188 -12.652 -5.951 1.00 0.00 O ATOM 738 CB ASP A 48 -3.006 -10.637 -7.348 1.00 0.00 C ATOM 739 CG ASP A 48 -2.610 -11.008 -8.785 1.00 0.00 C ATOM 740 OD1 ASP A 48 -1.541 -10.606 -9.212 1.00 0.00 O ATOM 741 OD2 ASP A 48 -3.387 -11.690 -9.431 1.00 0.00 O ATOM 0 H ASP A 48 -1.445 -8.929 -8.027 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.008 -10.194 -5.448 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.597 -11.441 -6.909 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.635 -9.747 -7.357 1.00 0.00 H new ATOM 746 N ALA A 49 0.336 -11.519 -7.066 1.00 0.00 N ATOM 747 CA ALA A 49 1.272 -12.679 -7.084 1.00 0.00 C ATOM 748 C ALA A 49 2.235 -12.584 -5.899 1.00 0.00 C ATOM 749 O ALA A 49 2.755 -13.581 -5.434 1.00 0.00 O ATOM 750 CB ALA A 49 2.031 -12.560 -8.406 1.00 0.00 C ATOM 0 H ALA A 49 0.683 -10.679 -7.529 1.00 0.00 H new ATOM 0 HA ALA A 49 0.754 -13.634 -7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.742 -13.382 -8.493 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.325 -12.602 -9.236 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.568 -11.612 -8.433 1.00 0.00 H new ATOM 756 N THR A 50 2.466 -11.393 -5.402 1.00 0.00 N ATOM 757 CA THR A 50 3.381 -11.230 -4.240 1.00 0.00 C ATOM 758 C THR A 50 2.701 -10.409 -3.139 1.00 0.00 C ATOM 759 O THR A 50 3.316 -10.069 -2.147 1.00 0.00 O ATOM 760 CB THR A 50 4.593 -10.483 -4.798 1.00 0.00 C ATOM 761 OG1 THR A 50 4.159 -9.285 -5.424 1.00 0.00 O ATOM 762 CG2 THR A 50 5.311 -11.366 -5.819 1.00 0.00 C ATOM 0 H THR A 50 2.057 -10.528 -5.755 1.00 0.00 H new ATOM 0 HA THR A 50 3.659 -12.185 -3.794 1.00 0.00 H new ATOM 0 HB THR A 50 5.279 -10.241 -3.986 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.033 -8.589 -4.746 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.175 -10.834 -6.217 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.642 -12.285 -5.336 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.628 -11.610 -6.633 1.00 0.00 H new ATOM 770 N LYS A 51 1.434 -10.078 -3.304 1.00 0.00 N ATOM 771 CA LYS A 51 0.714 -9.271 -2.266 1.00 0.00 C ATOM 772 C LYS A 51 1.472 -7.967 -2.010 1.00 0.00 C ATOM 773 O LYS A 51 1.650 -7.550 -0.881 1.00 0.00 O ATOM 774 CB LYS A 51 0.681 -10.136 -0.996 1.00 0.00 C ATOM 775 CG LYS A 51 0.048 -11.498 -1.304 1.00 0.00 C ATOM 776 CD LYS A 51 -1.451 -11.324 -1.541 1.00 0.00 C ATOM 777 CE LYS A 51 -2.084 -12.686 -1.837 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.504 -12.385 -2.172 1.00 0.00 N ATOM 0 H LYS A 51 0.871 -10.334 -4.115 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.295 -9.008 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.693 -10.274 -0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.112 -9.630 -0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.517 -11.938 -2.184 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.218 -12.185 -0.475 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.919 -10.877 -0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.621 -10.643 -2.375 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.580 -13.184 -2.665 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.014 -13.350 -0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.005 -13.271 -2.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.960 -11.917 -1.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.540 -11.757 -3.000 1.00 0.00 H new ATOM 792 N THR A 52 1.933 -7.333 -3.057 1.00 0.00 N ATOM 793 CA THR A 52 2.695 -6.059 -2.883 1.00 0.00 C ATOM 794 C THR A 52 2.150 -4.966 -3.809 1.00 0.00 C ATOM 795 O THR A 52 2.076 -5.140 -5.012 1.00 0.00 O ATOM 796 CB THR A 52 4.135 -6.410 -3.258 1.00 0.00 C ATOM 797 OG1 THR A 52 4.481 -7.661 -2.680 1.00 0.00 O ATOM 798 CG2 THR A 52 5.078 -5.327 -2.735 1.00 0.00 C ATOM 0 H THR A 52 1.816 -7.641 -4.022 1.00 0.00 H new ATOM 0 HA THR A 52 2.615 -5.671 -1.867 1.00 0.00 H new ATOM 0 HB THR A 52 4.224 -6.473 -4.343 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.403 -7.889 -2.921 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.104 -5.578 -3.003 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.812 -4.368 -3.178 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.992 -5.262 -1.650 1.00 0.00 H new ATOM 806 N PHE A 53 1.778 -3.837 -3.256 1.00 0.00 N ATOM 807 CA PHE A 53 1.247 -2.723 -4.101 1.00 0.00 C ATOM 808 C PHE A 53 2.419 -1.949 -4.728 1.00 0.00 C ATOM 809 O PHE A 53 3.557 -2.368 -4.625 1.00 0.00 O ATOM 810 CB PHE A 53 0.451 -1.838 -3.138 1.00 0.00 C ATOM 811 CG PHE A 53 -0.802 -2.562 -2.699 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.751 -3.460 -1.623 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.017 -2.338 -3.363 1.00 0.00 C ATOM 814 CE1 PHE A 53 -1.910 -4.129 -1.210 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.175 -3.012 -2.949 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.119 -3.905 -1.873 1.00 0.00 C ATOM 0 H PHE A 53 1.819 -3.639 -2.256 1.00 0.00 H new ATOM 0 HA PHE A 53 0.623 -3.075 -4.923 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.061 -1.588 -2.270 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.188 -0.899 -3.625 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.184 -3.636 -1.112 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.061 -1.647 -4.192 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.869 -4.818 -0.379 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.111 -2.842 -3.461 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.012 -4.422 -1.555 1.00 0.00 H new ATOM 826 N THR A 54 2.165 -0.825 -5.367 1.00 0.00 N ATOM 827 CA THR A 54 3.275 -0.044 -5.980 1.00 0.00 C ATOM 828 C THR A 54 2.816 1.397 -6.109 1.00 0.00 C ATOM 829 O THR A 54 2.217 1.782 -7.097 1.00 0.00 O ATOM 830 CB THR A 54 3.525 -0.656 -7.362 1.00 0.00 C ATOM 831 OG1 THR A 54 3.290 -2.059 -7.318 1.00 0.00 O ATOM 832 CG2 THR A 54 4.973 -0.396 -7.778 1.00 0.00 C ATOM 0 H THR A 54 1.236 -0.422 -5.486 1.00 0.00 H new ATOM 0 HA THR A 54 4.188 -0.070 -5.386 1.00 0.00 H new ATOM 0 HB THR A 54 2.848 -0.201 -8.085 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.062 -2.381 -8.215 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.153 -0.831 -8.761 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.153 0.678 -7.818 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.647 -0.850 -7.052 1.00 0.00 H new ATOM 840 N VAL A 55 3.070 2.182 -5.104 1.00 0.00 N ATOM 841 CA VAL A 55 2.623 3.602 -5.142 1.00 0.00 C ATOM 842 C VAL A 55 3.725 4.508 -5.702 1.00 0.00 C ATOM 843 O VAL A 55 4.647 4.902 -5.014 1.00 0.00 O ATOM 844 CB VAL A 55 2.226 3.981 -3.696 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.331 3.620 -2.699 1.00 0.00 C ATOM 846 CG2 VAL A 55 1.940 5.485 -3.613 1.00 0.00 C ATOM 0 H VAL A 55 3.567 1.904 -4.258 1.00 0.00 H new ATOM 0 HA VAL A 55 1.770 3.733 -5.808 1.00 0.00 H new ATOM 0 HB VAL A 55 1.331 3.416 -3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.019 3.900 -1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.518 2.547 -2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.244 4.156 -2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.661 5.746 -2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.833 6.041 -3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.123 5.738 -4.289 1.00 0.00 H new ATOM 856 N THR A 56 3.604 4.856 -6.953 1.00 0.00 N ATOM 857 CA THR A 56 4.601 5.759 -7.591 1.00 0.00 C ATOM 858 C THR A 56 4.266 7.205 -7.187 1.00 0.00 C ATOM 859 O THR A 56 3.238 7.459 -6.588 1.00 0.00 O ATOM 860 CB THR A 56 4.424 5.501 -9.105 1.00 0.00 C ATOM 861 OG1 THR A 56 5.185 4.359 -9.471 1.00 0.00 O ATOM 862 CG2 THR A 56 4.885 6.699 -9.944 1.00 0.00 C ATOM 0 H THR A 56 2.849 4.550 -7.566 1.00 0.00 H new ATOM 0 HA THR A 56 5.635 5.587 -7.294 1.00 0.00 H new ATOM 0 HB THR A 56 3.364 5.340 -9.300 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.077 4.187 -10.430 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.744 6.478 -11.002 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.299 7.578 -9.676 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.940 6.894 -9.751 1.00 0.00 H new ATOM 870 N GLU A 57 5.123 8.141 -7.502 1.00 0.00 N ATOM 871 CA GLU A 57 4.852 9.564 -7.135 1.00 0.00 C ATOM 872 C GLU A 57 4.863 10.445 -8.387 1.00 0.00 C ATOM 873 O GLU A 57 4.419 11.577 -8.294 1.00 0.00 O ATOM 874 CB GLU A 57 5.992 9.956 -6.195 1.00 0.00 C ATOM 875 CG GLU A 57 5.651 11.275 -5.498 1.00 0.00 C ATOM 876 CD GLU A 57 6.932 12.081 -5.267 1.00 0.00 C ATOM 877 OE1 GLU A 57 7.967 11.469 -5.059 1.00 0.00 O ATOM 878 OE2 GLU A 57 6.855 13.299 -5.297 1.00 0.00 O ATOM 879 OXT GLU A 57 5.315 9.972 -9.417 1.00 0.00 O ATOM 0 H GLU A 57 6.000 7.982 -7.998 1.00 0.00 H new ATOM 0 HA GLU A 57 3.876 9.690 -6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.152 9.172 -5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.921 10.059 -6.756 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.953 11.850 -6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.157 11.078 -4.547 1.00 0.00 H new