USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 416 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 NoAdj-H: A 139 HIS HD1 : A 139 HIS ND1 : A 2 ZNZN :(H bumps) USER MOD NoAdj-H: A 173 HIS HD1 : A 173 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Set 1.1: A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 166 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 137 THR OG1 : rot -63:sc= 1.16 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0.0391 USER MOD Single : A 140 ASN : amide:sc=-0.00347 X(o=-0.0035,f=-0.0094) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 ASN : amide:sc= -1.31 K(o=-1.3,f=-6.8!) USER MOD Single : A 167 THR OG1 : rot 180:sc= 0 USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 HIS : no HD1:sc= -0.243 K(o=-0.24,f=-3.2!) USER MOD Single : A 177 SER OG : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 THR OG1 : rot 178:sc= -0.765 USER MOD Single : A 183 MET CE :methyl -109:sc= -0.0299 (180deg=-0.341) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 136 2.877 -12.127 5.157 1.00 0.00 N ATOM 2 CA LEU A 136 1.723 -12.798 4.494 1.00 0.00 C ATOM 3 C LEU A 136 2.201 -13.473 3.208 1.00 0.00 C ATOM 4 O LEU A 136 3.347 -13.343 2.817 1.00 0.00 O ATOM 5 CB LEU A 136 0.644 -11.754 4.166 1.00 0.00 C ATOM 6 CG LEU A 136 -0.583 -11.982 5.050 1.00 0.00 C ATOM 7 CD1 LEU A 136 -0.308 -11.433 6.451 1.00 0.00 C ATOM 8 CD2 LEU A 136 -1.788 -11.260 4.446 1.00 0.00 C ATOM 0 HA LEU A 136 1.302 -13.551 5.161 1.00 0.00 H new ATOM 0 HB2 LEU A 136 1.037 -10.750 4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 136 0.364 -11.824 3.115 1.00 0.00 H new ATOM 0 HG LEU A 136 -0.794 -13.050 5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -1.181 -11.594 7.083 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.551 -11.947 6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -0.098 -10.365 6.389 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -2.663 -11.422 5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -1.579 -10.192 4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -1.983 -11.650 3.447 1.00 0.00 H new ATOM 22 N THR A 137 1.330 -14.194 2.548 1.00 0.00 N ATOM 23 CA THR A 137 1.725 -14.886 1.286 1.00 0.00 C ATOM 24 C THR A 137 0.810 -14.439 0.138 1.00 0.00 C ATOM 25 O THR A 137 0.335 -15.248 -0.640 1.00 0.00 O ATOM 26 CB THR A 137 1.610 -16.401 1.483 1.00 0.00 C ATOM 27 OG1 THR A 137 1.843 -17.056 0.245 1.00 0.00 O ATOM 28 CG2 THR A 137 0.211 -16.750 1.995 1.00 0.00 C ATOM 0 H THR A 137 0.360 -14.333 2.831 1.00 0.00 H new ATOM 0 HA THR A 137 2.755 -14.629 1.037 1.00 0.00 H new ATOM 0 HB THR A 137 2.350 -16.729 2.213 1.00 0.00 H new ATOM 0 HG1 THR A 137 1.147 -16.801 -0.396 1.00 0.00 H new ATOM 0 HG21 THR A 137 0.133 -17.828 2.134 1.00 0.00 H new ATOM 0 HG22 THR A 137 0.036 -16.248 2.947 1.00 0.00 H new ATOM 0 HG23 THR A 137 -0.534 -16.423 1.270 1.00 0.00 H new ATOM 36 N THR A 138 0.562 -13.156 0.025 1.00 0.00 N ATOM 37 CA THR A 138 -0.316 -12.653 -1.076 1.00 0.00 C ATOM 38 C THR A 138 0.019 -11.176 -1.359 1.00 0.00 C ATOM 39 O THR A 138 0.882 -10.885 -2.165 1.00 0.00 O ATOM 40 CB THR A 138 -1.785 -12.815 -0.668 1.00 0.00 C ATOM 41 OG1 THR A 138 -1.927 -12.526 0.717 1.00 0.00 O ATOM 42 CG2 THR A 138 -2.230 -14.253 -0.938 1.00 0.00 C ATOM 0 H THR A 138 0.930 -12.437 0.648 1.00 0.00 H new ATOM 0 HA THR A 138 -0.145 -13.227 -1.986 1.00 0.00 H new ATOM 0 HB THR A 138 -2.402 -12.128 -1.246 1.00 0.00 H new ATOM 0 HG1 THR A 138 -2.866 -12.628 0.978 1.00 0.00 H new ATOM 0 HG21 THR A 138 -3.274 -14.371 -0.649 1.00 0.00 H new ATOM 0 HG22 THR A 138 -2.120 -14.475 -2.000 1.00 0.00 H new ATOM 0 HG23 THR A 138 -1.613 -14.940 -0.358 1.00 0.00 H new ATOM 50 N HIS A 139 -0.632 -10.244 -0.696 1.00 0.00 N ATOM 51 CA HIS A 139 -0.320 -8.800 -0.923 1.00 0.00 C ATOM 52 C HIS A 139 1.089 -8.542 -0.382 1.00 0.00 C ATOM 53 O HIS A 139 1.712 -9.427 0.177 1.00 0.00 O ATOM 54 CB HIS A 139 -1.336 -7.947 -0.152 1.00 0.00 C ATOM 55 CG HIS A 139 -1.687 -6.670 -0.895 1.00 0.00 C ATOM 56 ND1 HIS A 139 -1.133 -6.304 -2.148 1.00 0.00 N ATOM 57 CD2 HIS A 139 -2.530 -5.646 -0.549 1.00 0.00 C ATOM 58 CE1 HIS A 139 -1.665 -5.107 -2.458 1.00 0.00 C ATOM 59 NE2 HIS A 139 -2.514 -4.679 -1.517 1.00 0.00 N ATOM 0 H HIS A 139 -1.364 -10.425 -0.009 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.372 -8.546 -1.982 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -2.242 -8.528 0.018 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -0.929 -7.696 0.828 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -3.120 -5.608 0.355 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -1.434 -4.558 -3.359 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -3.043 -3.807 -1.520 1.00 0.00 H new ATOM 67 N ASN A 140 1.589 -7.348 -0.524 1.00 0.00 N ATOM 68 CA ASN A 140 2.950 -7.035 0.000 1.00 0.00 C ATOM 69 C ASN A 140 2.980 -5.569 0.417 1.00 0.00 C ATOM 70 O ASN A 140 2.328 -4.735 -0.183 1.00 0.00 O ATOM 71 CB ASN A 140 4.006 -7.294 -1.079 1.00 0.00 C ATOM 72 CG ASN A 140 5.342 -7.638 -0.416 1.00 0.00 C ATOM 73 OD1 ASN A 140 5.496 -8.702 0.152 1.00 0.00 O ATOM 74 ND2 ASN A 140 6.323 -6.778 -0.468 1.00 0.00 N ATOM 0 H ASN A 140 1.113 -6.571 -0.982 1.00 0.00 H new ATOM 0 HA ASN A 140 3.173 -7.673 0.856 1.00 0.00 H new ATOM 0 HB2 ASN A 140 3.688 -8.112 -1.725 1.00 0.00 H new ATOM 0 HB3 ASN A 140 4.118 -6.413 -1.711 1.00 0.00 H new ATOM 0 HD21 ASN A 140 7.218 -6.999 -0.032 1.00 0.00 H new ATOM 0 HD22 ASN A 140 6.194 -5.885 -0.944 1.00 0.00 H new ATOM 81 N PHE A 141 3.712 -5.250 1.451 1.00 0.00 N ATOM 82 CA PHE A 141 3.760 -3.837 1.921 1.00 0.00 C ATOM 83 C PHE A 141 5.196 -3.468 2.293 1.00 0.00 C ATOM 84 O PHE A 141 5.700 -3.867 3.326 1.00 0.00 O ATOM 85 CB PHE A 141 2.847 -3.671 3.146 1.00 0.00 C ATOM 86 CG PHE A 141 1.503 -4.320 2.882 1.00 0.00 C ATOM 87 CD1 PHE A 141 0.684 -3.849 1.848 1.00 0.00 C ATOM 88 CD2 PHE A 141 1.076 -5.394 3.676 1.00 0.00 C ATOM 89 CE1 PHE A 141 -0.557 -4.450 1.608 1.00 0.00 C ATOM 90 CE2 PHE A 141 -0.165 -5.994 3.436 1.00 0.00 C ATOM 91 CZ PHE A 141 -0.982 -5.521 2.402 1.00 0.00 C ATOM 0 H PHE A 141 4.278 -5.906 1.989 1.00 0.00 H new ATOM 0 HA PHE A 141 3.416 -3.178 1.124 1.00 0.00 H new ATOM 0 HB2 PHE A 141 3.313 -4.124 4.021 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.712 -2.613 3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.010 -3.022 1.235 1.00 0.00 H new ATOM 0 HD2 PHE A 141 1.706 -5.759 4.474 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.187 -4.087 0.809 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.493 -6.821 4.048 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.941 -5.983 2.217 1.00 0.00 H new ATOM 101 N ALA A 142 5.856 -2.704 1.458 1.00 0.00 N ATOM 102 CA ALA A 142 7.260 -2.296 1.754 1.00 0.00 C ATOM 103 C ALA A 142 7.337 -0.770 1.808 1.00 0.00 C ATOM 104 O ALA A 142 7.090 -0.095 0.825 1.00 0.00 O ATOM 105 CB ALA A 142 8.187 -2.816 0.653 1.00 0.00 C ATOM 0 H ALA A 142 5.479 -2.345 0.581 1.00 0.00 H new ATOM 0 HA ALA A 142 7.569 -2.714 2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 142 9.213 -2.518 0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 142 8.127 -3.904 0.610 1.00 0.00 H new ATOM 0 HB3 ALA A 142 7.883 -2.398 -0.306 1.00 0.00 H new ATOM 111 N ARG A 143 7.672 -0.222 2.948 1.00 0.00 N ATOM 112 CA ARG A 143 7.760 1.263 3.071 1.00 0.00 C ATOM 113 C ARG A 143 8.922 1.781 2.222 1.00 0.00 C ATOM 114 O ARG A 143 10.075 1.544 2.523 1.00 0.00 O ATOM 115 CB ARG A 143 7.989 1.646 4.536 1.00 0.00 C ATOM 116 CG ARG A 143 9.182 0.860 5.103 1.00 0.00 C ATOM 117 CD ARG A 143 10.229 1.831 5.662 1.00 0.00 C ATOM 118 NE ARG A 143 11.022 1.150 6.725 1.00 0.00 N ATOM 119 CZ ARG A 143 10.969 1.581 7.956 1.00 0.00 C ATOM 120 NH1 ARG A 143 9.820 1.884 8.491 1.00 0.00 N ATOM 121 NH2 ARG A 143 12.068 1.706 8.651 1.00 0.00 N ATOM 0 H ARG A 143 7.889 -0.740 3.800 1.00 0.00 H new ATOM 0 HA ARG A 143 6.828 1.708 2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 143 8.177 2.717 4.616 1.00 0.00 H new ATOM 0 HB3 ARG A 143 7.093 1.435 5.120 1.00 0.00 H new ATOM 0 HG2 ARG A 143 8.843 0.185 5.889 1.00 0.00 H new ATOM 0 HG3 ARG A 143 9.626 0.243 4.322 1.00 0.00 H new ATOM 0 HD2 ARG A 143 10.888 2.171 4.863 1.00 0.00 H new ATOM 0 HD3 ARG A 143 9.739 2.716 6.069 1.00 0.00 H new ATOM 0 HE ARG A 143 11.606 0.347 6.490 1.00 0.00 H new ATOM 0 HH11 ARG A 143 8.962 1.784 7.948 1.00 0.00 H new ATOM 0 HH12 ARG A 143 9.778 2.221 9.453 1.00 0.00 H new ATOM 0 HH21 ARG A 143 12.967 1.467 8.232 1.00 0.00 H new ATOM 0 HH22 ARG A 143 12.028 2.043 9.613 1.00 0.00 H new ATOM 135 N LYS A 144 8.619 2.491 1.166 1.00 0.00 N ATOM 136 CA LYS A 144 9.693 3.037 0.289 1.00 0.00 C ATOM 137 C LYS A 144 9.062 3.920 -0.787 1.00 0.00 C ATOM 138 O LYS A 144 7.871 3.854 -1.031 1.00 0.00 O ATOM 139 CB LYS A 144 10.455 1.884 -0.372 1.00 0.00 C ATOM 140 CG LYS A 144 9.477 0.986 -1.133 1.00 0.00 C ATOM 141 CD LYS A 144 10.014 -0.448 -1.158 1.00 0.00 C ATOM 142 CE LYS A 144 10.955 -0.622 -2.352 1.00 0.00 C ATOM 143 NZ LYS A 144 12.070 -1.537 -1.976 1.00 0.00 N ATOM 0 H LYS A 144 7.668 2.716 0.874 1.00 0.00 H new ATOM 0 HA LYS A 144 10.388 3.628 0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 144 11.208 2.278 -1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 144 10.983 1.303 0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 144 8.497 1.011 -0.656 1.00 0.00 H new ATOM 0 HG3 LYS A 144 9.345 1.354 -2.150 1.00 0.00 H new ATOM 0 HD2 LYS A 144 10.543 -0.665 -0.230 1.00 0.00 H new ATOM 0 HD3 LYS A 144 9.188 -1.156 -1.227 1.00 0.00 H new ATOM 0 HE2 LYS A 144 10.409 -1.028 -3.203 1.00 0.00 H new ATOM 0 HE3 LYS A 144 11.352 0.345 -2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 12.710 -1.656 -2.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 12.597 -1.132 -1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 11.682 -2.462 -1.702 1.00 0.00 H new ATOM 157 N THR A 145 9.850 4.739 -1.432 1.00 0.00 N ATOM 158 CA THR A 145 9.300 5.627 -2.496 1.00 0.00 C ATOM 159 C THR A 145 9.139 4.824 -3.786 1.00 0.00 C ATOM 160 O THR A 145 9.889 3.903 -4.050 1.00 0.00 O ATOM 161 CB THR A 145 10.257 6.800 -2.734 1.00 0.00 C ATOM 162 OG1 THR A 145 10.962 7.083 -1.533 1.00 0.00 O ATOM 163 CG2 THR A 145 9.462 8.032 -3.162 1.00 0.00 C ATOM 0 H THR A 145 10.852 4.831 -1.267 1.00 0.00 H new ATOM 0 HA THR A 145 8.331 6.015 -2.184 1.00 0.00 H new ATOM 0 HB THR A 145 10.965 6.538 -3.520 1.00 0.00 H new ATOM 0 HG1 THR A 145 11.576 7.832 -1.683 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.145 8.865 -3.331 1.00 0.00 H new ATOM 0 HG22 THR A 145 8.921 7.814 -4.083 1.00 0.00 H new ATOM 0 HG23 THR A 145 8.752 8.297 -2.378 1.00 0.00 H new ATOM 171 N PHE A 146 8.155 5.156 -4.581 1.00 0.00 N ATOM 172 CA PHE A 146 7.930 4.400 -5.853 1.00 0.00 C ATOM 173 C PHE A 146 8.594 5.140 -7.018 1.00 0.00 C ATOM 174 O PHE A 146 7.998 5.996 -7.639 1.00 0.00 O ATOM 175 CB PHE A 146 6.420 4.258 -6.131 1.00 0.00 C ATOM 176 CG PHE A 146 5.633 3.899 -4.873 1.00 0.00 C ATOM 177 CD1 PHE A 146 6.250 3.296 -3.759 1.00 0.00 C ATOM 178 CD2 PHE A 146 4.264 4.180 -4.830 1.00 0.00 C ATOM 179 CE1 PHE A 146 5.498 2.988 -2.620 1.00 0.00 C ATOM 180 CE2 PHE A 146 3.515 3.865 -3.691 1.00 0.00 C ATOM 181 CZ PHE A 146 4.132 3.273 -2.587 1.00 0.00 C ATOM 0 H PHE A 146 7.498 5.916 -4.406 1.00 0.00 H new ATOM 0 HA PHE A 146 8.368 3.407 -5.752 1.00 0.00 H new ATOM 0 HB2 PHE A 146 6.038 5.193 -6.542 1.00 0.00 H new ATOM 0 HB3 PHE A 146 6.262 3.490 -6.888 1.00 0.00 H new ATOM 0 HD1 PHE A 146 7.306 3.071 -3.784 1.00 0.00 H new ATOM 0 HD2 PHE A 146 3.783 4.642 -5.679 1.00 0.00 H new ATOM 0 HE1 PHE A 146 5.975 2.530 -1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 146 2.457 4.080 -3.666 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.552 3.036 -1.707 1.00 0.00 H new ATOM 191 N LEU A 147 9.825 4.806 -7.317 1.00 0.00 N ATOM 192 CA LEU A 147 10.546 5.473 -8.444 1.00 0.00 C ATOM 193 C LEU A 147 10.660 6.985 -8.175 1.00 0.00 C ATOM 194 O LEU A 147 11.623 7.434 -7.584 1.00 0.00 O ATOM 195 CB LEU A 147 9.794 5.213 -9.762 1.00 0.00 C ATOM 196 CG LEU A 147 10.436 4.043 -10.527 1.00 0.00 C ATOM 197 CD1 LEU A 147 11.889 4.381 -10.875 1.00 0.00 C ATOM 198 CD2 LEU A 147 10.398 2.774 -9.666 1.00 0.00 C ATOM 0 H LEU A 147 10.365 4.094 -6.825 1.00 0.00 H new ATOM 0 HA LEU A 147 11.552 5.061 -8.525 1.00 0.00 H new ATOM 0 HB2 LEU A 147 8.748 4.988 -9.553 1.00 0.00 H new ATOM 0 HB3 LEU A 147 9.809 6.111 -10.380 1.00 0.00 H new ATOM 0 HG LEU A 147 9.876 3.873 -11.446 1.00 0.00 H new ATOM 0 HD11 LEU A 147 12.337 3.548 -11.417 1.00 0.00 H new ATOM 0 HD12 LEU A 147 11.915 5.275 -11.498 1.00 0.00 H new ATOM 0 HD13 LEU A 147 12.450 4.561 -9.958 1.00 0.00 H new ATOM 0 HD21 LEU A 147 10.854 1.949 -10.213 1.00 0.00 H new ATOM 0 HD22 LEU A 147 10.950 2.945 -8.741 1.00 0.00 H new ATOM 0 HD23 LEU A 147 9.363 2.525 -9.430 1.00 0.00 H new ATOM 210 N LYS A 148 9.698 7.775 -8.604 1.00 0.00 N ATOM 211 CA LYS A 148 9.774 9.248 -8.367 1.00 0.00 C ATOM 212 C LYS A 148 8.402 9.777 -7.954 1.00 0.00 C ATOM 213 O LYS A 148 8.244 10.361 -6.898 1.00 0.00 O ATOM 214 CB LYS A 148 10.223 9.947 -9.655 1.00 0.00 C ATOM 215 CG LYS A 148 11.728 9.751 -9.845 1.00 0.00 C ATOM 216 CD LYS A 148 12.486 10.844 -9.090 1.00 0.00 C ATOM 217 CE LYS A 148 13.965 10.800 -9.478 1.00 0.00 C ATOM 218 NZ LYS A 148 14.204 11.716 -10.629 1.00 0.00 N ATOM 0 H LYS A 148 8.868 7.460 -9.106 1.00 0.00 H new ATOM 0 HA LYS A 148 10.491 9.449 -7.571 1.00 0.00 H new ATOM 0 HB2 LYS A 148 9.682 9.540 -10.509 1.00 0.00 H new ATOM 0 HB3 LYS A 148 9.988 11.010 -9.605 1.00 0.00 H new ATOM 0 HG2 LYS A 148 12.026 8.768 -9.479 1.00 0.00 H new ATOM 0 HG3 LYS A 148 11.979 9.786 -10.905 1.00 0.00 H new ATOM 0 HD2 LYS A 148 12.066 11.822 -9.326 1.00 0.00 H new ATOM 0 HD3 LYS A 148 12.377 10.701 -8.015 1.00 0.00 H new ATOM 0 HE2 LYS A 148 14.583 11.095 -8.630 1.00 0.00 H new ATOM 0 HE3 LYS A 148 14.252 9.783 -9.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 15.209 11.686 -10.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 13.624 11.415 -11.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 13.945 12.687 -10.360 1.00 0.00 H new ATOM 232 N LEU A 149 7.411 9.578 -8.781 1.00 0.00 N ATOM 233 CA LEU A 149 6.041 10.068 -8.450 1.00 0.00 C ATOM 234 C LEU A 149 4.997 9.073 -8.966 1.00 0.00 C ATOM 235 O LEU A 149 5.237 8.333 -9.900 1.00 0.00 O ATOM 236 CB LEU A 149 5.814 11.431 -9.107 1.00 0.00 C ATOM 237 CG LEU A 149 4.852 12.256 -8.251 1.00 0.00 C ATOM 238 CD1 LEU A 149 5.648 13.092 -7.248 1.00 0.00 C ATOM 239 CD2 LEU A 149 4.034 13.183 -9.152 1.00 0.00 C ATOM 0 H LEU A 149 7.492 9.095 -9.676 1.00 0.00 H new ATOM 0 HA LEU A 149 5.944 10.163 -7.368 1.00 0.00 H new ATOM 0 HB2 LEU A 149 6.763 11.957 -9.216 1.00 0.00 H new ATOM 0 HB3 LEU A 149 5.405 11.300 -10.109 1.00 0.00 H new ATOM 0 HG LEU A 149 4.181 11.587 -7.713 1.00 0.00 H new ATOM 0 HD11 LEU A 149 4.962 13.680 -6.638 1.00 0.00 H new ATOM 0 HD12 LEU A 149 6.230 12.432 -6.605 1.00 0.00 H new ATOM 0 HD13 LEU A 149 6.320 13.761 -7.785 1.00 0.00 H new ATOM 0 HD21 LEU A 149 3.348 13.771 -8.542 1.00 0.00 H new ATOM 0 HD22 LEU A 149 4.705 13.852 -9.691 1.00 0.00 H new ATOM 0 HD23 LEU A 149 3.465 12.587 -9.866 1.00 0.00 H new ATOM 251 N ALA A 150 3.840 9.057 -8.355 1.00 0.00 N ATOM 252 CA ALA A 150 2.764 8.121 -8.790 1.00 0.00 C ATOM 253 C ALA A 150 1.403 8.722 -8.399 1.00 0.00 C ATOM 254 O ALA A 150 1.271 9.926 -8.300 1.00 0.00 O ATOM 255 CB ALA A 150 2.975 6.764 -8.107 1.00 0.00 C ATOM 0 H ALA A 150 3.594 9.657 -7.568 1.00 0.00 H new ATOM 0 HA ALA A 150 2.792 7.975 -9.870 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.192 6.073 -8.420 1.00 0.00 H new ATOM 0 HB2 ALA A 150 3.948 6.362 -8.390 1.00 0.00 H new ATOM 0 HB3 ALA A 150 2.936 6.891 -7.025 1.00 0.00 H new ATOM 261 N PHE A 151 0.394 7.907 -8.182 1.00 0.00 N ATOM 262 CA PHE A 151 -0.947 8.451 -7.800 1.00 0.00 C ATOM 263 C PHE A 151 -1.749 7.366 -7.068 1.00 0.00 C ATOM 264 O PHE A 151 -1.901 6.262 -7.559 1.00 0.00 O ATOM 265 CB PHE A 151 -1.712 8.866 -9.058 1.00 0.00 C ATOM 266 CG PHE A 151 -1.433 10.312 -9.400 1.00 0.00 C ATOM 267 CD1 PHE A 151 -2.200 11.326 -8.816 1.00 0.00 C ATOM 268 CD2 PHE A 151 -0.417 10.637 -10.306 1.00 0.00 C ATOM 269 CE1 PHE A 151 -1.949 12.667 -9.134 1.00 0.00 C ATOM 270 CE2 PHE A 151 -0.166 11.977 -10.626 1.00 0.00 C ATOM 271 CZ PHE A 151 -0.932 12.991 -10.040 1.00 0.00 C ATOM 0 H PHE A 151 0.444 6.891 -8.253 1.00 0.00 H new ATOM 0 HA PHE A 151 -0.810 9.315 -7.150 1.00 0.00 H new ATOM 0 HB2 PHE A 151 -1.423 8.227 -9.893 1.00 0.00 H new ATOM 0 HB3 PHE A 151 -2.781 8.724 -8.903 1.00 0.00 H new ATOM 0 HD1 PHE A 151 -2.986 11.075 -8.119 1.00 0.00 H new ATOM 0 HD2 PHE A 151 0.174 9.854 -10.758 1.00 0.00 H new ATOM 0 HE1 PHE A 151 -2.539 13.450 -8.681 1.00 0.00 H new ATOM 0 HE2 PHE A 151 0.618 12.228 -11.325 1.00 0.00 H new ATOM 0 HZ PHE A 151 -0.738 14.024 -10.287 1.00 0.00 H new ATOM 281 N CYS A 152 -2.252 7.665 -5.893 1.00 0.00 N ATOM 282 CA CYS A 152 -3.032 6.643 -5.122 1.00 0.00 C ATOM 283 C CYS A 152 -4.409 6.389 -5.735 1.00 0.00 C ATOM 284 O CYS A 152 -5.284 7.235 -5.684 1.00 0.00 O ATOM 285 CB CYS A 152 -3.268 7.124 -3.705 1.00 0.00 C ATOM 286 SG CYS A 152 -3.639 5.681 -2.684 1.00 0.00 S ATOM 0 H CYS A 152 -2.156 8.571 -5.435 1.00 0.00 H new ATOM 0 HA CYS A 152 -2.442 5.727 -5.144 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -2.387 7.643 -3.327 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -4.094 7.835 -3.676 1.00 0.00 H new ATOM 291 N ASP A 153 -4.627 5.209 -6.258 1.00 0.00 N ATOM 292 CA ASP A 153 -5.971 4.877 -6.827 1.00 0.00 C ATOM 293 C ASP A 153 -7.017 4.769 -5.692 1.00 0.00 C ATOM 294 O ASP A 153 -8.202 4.679 -5.944 1.00 0.00 O ATOM 295 CB ASP A 153 -5.888 3.538 -7.572 1.00 0.00 C ATOM 296 CG ASP A 153 -5.740 3.793 -9.074 1.00 0.00 C ATOM 297 OD1 ASP A 153 -4.898 4.596 -9.439 1.00 0.00 O ATOM 298 OD2 ASP A 153 -6.473 3.181 -9.833 1.00 0.00 O ATOM 0 H ASP A 153 -3.935 4.462 -6.316 1.00 0.00 H new ATOM 0 HA ASP A 153 -6.273 5.666 -7.515 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -5.040 2.959 -7.206 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -6.784 2.948 -7.380 1.00 0.00 H new ATOM 303 N ILE A 154 -6.584 4.771 -4.450 1.00 0.00 N ATOM 304 CA ILE A 154 -7.533 4.661 -3.296 1.00 0.00 C ATOM 305 C ILE A 154 -7.948 6.052 -2.830 1.00 0.00 C ATOM 306 O ILE A 154 -9.002 6.229 -2.248 1.00 0.00 O ATOM 307 CB ILE A 154 -6.799 3.968 -2.139 1.00 0.00 C ATOM 308 CG1 ILE A 154 -6.348 2.561 -2.625 1.00 0.00 C ATOM 309 CG2 ILE A 154 -7.685 3.911 -0.863 1.00 0.00 C ATOM 310 CD1 ILE A 154 -7.395 1.483 -2.301 1.00 0.00 C ATOM 0 H ILE A 154 -5.601 4.845 -4.186 1.00 0.00 H new ATOM 0 HA ILE A 154 -8.416 4.099 -3.600 1.00 0.00 H new ATOM 0 HB ILE A 154 -5.916 4.539 -1.853 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -6.173 2.587 -3.701 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.400 2.300 -2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -7.137 3.415 -0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -7.943 4.924 -0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -8.597 3.354 -1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -7.042 0.515 -2.657 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -7.550 1.439 -1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -8.336 1.730 -2.793 1.00 0.00 H new ATOM 322 N CYS A 155 -7.100 7.022 -3.024 1.00 0.00 N ATOM 323 CA CYS A 155 -7.414 8.379 -2.529 1.00 0.00 C ATOM 324 C CYS A 155 -7.876 9.304 -3.660 1.00 0.00 C ATOM 325 O CYS A 155 -9.057 9.414 -3.906 1.00 0.00 O ATOM 326 CB CYS A 155 -6.172 8.905 -1.844 1.00 0.00 C ATOM 327 SG CYS A 155 -5.879 7.906 -0.359 1.00 0.00 S ATOM 0 H CYS A 155 -6.205 6.929 -3.504 1.00 0.00 H new ATOM 0 HA CYS A 155 -8.245 8.341 -1.825 1.00 0.00 H new ATOM 0 HB2 CYS A 155 -5.315 8.849 -2.515 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -6.300 9.954 -1.577 1.00 0.00 H new ATOM 332 N GLN A 156 -6.969 9.966 -4.344 1.00 0.00 N ATOM 333 CA GLN A 156 -7.368 10.895 -5.463 1.00 0.00 C ATOM 334 C GLN A 156 -6.181 11.749 -5.937 1.00 0.00 C ATOM 335 O GLN A 156 -6.240 12.332 -7.005 1.00 0.00 O ATOM 336 CB GLN A 156 -8.500 11.844 -5.009 1.00 0.00 C ATOM 337 CG GLN A 156 -9.847 11.364 -5.570 1.00 0.00 C ATOM 338 CD GLN A 156 -10.248 12.229 -6.767 1.00 0.00 C ATOM 339 OE1 GLN A 156 -10.975 13.192 -6.621 1.00 0.00 O ATOM 340 NE2 GLN A 156 -9.800 11.924 -7.955 1.00 0.00 N ATOM 0 H GLN A 156 -5.965 9.905 -4.177 1.00 0.00 H new ATOM 0 HA GLN A 156 -7.712 10.269 -6.286 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -8.542 11.878 -3.920 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -8.295 12.858 -5.352 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -9.774 10.319 -5.873 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -10.614 11.419 -4.797 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -9.190 11.116 -8.078 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -10.060 12.494 -8.760 1.00 0.00 H new ATOM 349 N LYS A 157 -5.116 11.853 -5.168 1.00 0.00 N ATOM 350 CA LYS A 157 -3.970 12.694 -5.611 1.00 0.00 C ATOM 351 C LYS A 157 -2.719 11.831 -5.757 1.00 0.00 C ATOM 352 O LYS A 157 -2.764 10.628 -5.634 1.00 0.00 O ATOM 353 CB LYS A 157 -3.718 13.805 -4.582 1.00 0.00 C ATOM 354 CG LYS A 157 -3.433 13.193 -3.204 1.00 0.00 C ATOM 355 CD LYS A 157 -3.402 14.302 -2.153 1.00 0.00 C ATOM 356 CE LYS A 157 -4.822 14.572 -1.654 1.00 0.00 C ATOM 357 NZ LYS A 157 -5.156 13.610 -0.565 1.00 0.00 N ATOM 0 H LYS A 157 -4.999 11.394 -4.264 1.00 0.00 H new ATOM 0 HA LYS A 157 -4.206 13.143 -6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -2.874 14.419 -4.897 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -4.586 14.462 -4.524 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -4.200 12.461 -2.953 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -2.480 12.664 -3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -2.762 14.011 -1.320 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -2.976 15.210 -2.580 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -4.902 15.595 -1.287 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -5.533 14.471 -2.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -6.122 13.793 -0.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -5.095 12.638 -0.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -4.484 13.728 0.220 1.00 0.00 H new ATOM 371 N PHE A 158 -1.612 12.453 -6.042 1.00 0.00 N ATOM 372 CA PHE A 158 -0.324 11.718 -6.235 1.00 0.00 C ATOM 373 C PHE A 158 -0.072 10.681 -5.116 1.00 0.00 C ATOM 374 O PHE A 158 -0.731 10.660 -4.094 1.00 0.00 O ATOM 375 CB PHE A 158 0.807 12.761 -6.215 1.00 0.00 C ATOM 376 CG PHE A 158 0.980 13.262 -4.798 1.00 0.00 C ATOM 377 CD1 PHE A 158 0.112 14.228 -4.284 1.00 0.00 C ATOM 378 CD2 PHE A 158 1.975 12.708 -3.988 1.00 0.00 C ATOM 379 CE1 PHE A 158 0.245 14.647 -2.958 1.00 0.00 C ATOM 380 CE2 PHE A 158 2.105 13.120 -2.662 1.00 0.00 C ATOM 381 CZ PHE A 158 1.240 14.092 -2.144 1.00 0.00 C ATOM 0 H PHE A 158 -1.540 13.464 -6.153 1.00 0.00 H new ATOM 0 HA PHE A 158 -0.364 11.174 -7.179 1.00 0.00 H new ATOM 0 HB2 PHE A 158 1.736 12.318 -6.575 1.00 0.00 H new ATOM 0 HB3 PHE A 158 0.569 13.589 -6.882 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.660 14.650 -4.910 1.00 0.00 H new ATOM 0 HD2 PHE A 158 2.643 11.961 -4.389 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -0.420 15.399 -2.560 1.00 0.00 H new ATOM 0 HE2 PHE A 158 2.872 12.690 -2.035 1.00 0.00 H new ATOM 0 HZ PHE A 158 1.340 14.413 -1.118 1.00 0.00 H new ATOM 391 N LEU A 159 0.931 9.872 -5.308 1.00 0.00 N ATOM 392 CA LEU A 159 1.333 8.867 -4.282 1.00 0.00 C ATOM 393 C LEU A 159 2.794 9.154 -3.924 1.00 0.00 C ATOM 394 O LEU A 159 3.622 9.349 -4.795 1.00 0.00 O ATOM 395 CB LEU A 159 1.218 7.453 -4.875 1.00 0.00 C ATOM 396 CG LEU A 159 1.081 6.383 -3.772 1.00 0.00 C ATOM 397 CD1 LEU A 159 2.228 6.477 -2.768 1.00 0.00 C ATOM 398 CD2 LEU A 159 -0.238 6.564 -3.030 1.00 0.00 C ATOM 0 H LEU A 159 1.503 9.864 -6.152 1.00 0.00 H new ATOM 0 HA LEU A 159 0.694 8.928 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.354 7.405 -5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 159 2.098 7.240 -5.482 1.00 0.00 H new ATOM 0 HG LEU A 159 1.110 5.405 -4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 159 2.105 5.711 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 159 3.176 6.326 -3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 159 2.222 7.462 -2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -0.326 5.804 -2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -0.266 7.554 -2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -1.067 6.464 -3.731 1.00 0.00 H new ATOM 410 N LEU A 160 3.114 9.195 -2.659 1.00 0.00 N ATOM 411 CA LEU A 160 4.514 9.484 -2.247 1.00 0.00 C ATOM 412 C LEU A 160 5.064 8.293 -1.469 1.00 0.00 C ATOM 413 O LEU A 160 4.419 7.270 -1.353 1.00 0.00 O ATOM 414 CB LEU A 160 4.553 10.740 -1.358 1.00 0.00 C ATOM 415 CG LEU A 160 3.319 10.822 -0.445 1.00 0.00 C ATOM 416 CD1 LEU A 160 3.307 9.638 0.525 1.00 0.00 C ATOM 417 CD2 LEU A 160 3.364 12.126 0.353 1.00 0.00 C ATOM 0 H LEU A 160 2.461 9.040 -1.891 1.00 0.00 H new ATOM 0 HA LEU A 160 5.122 9.658 -3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 160 5.457 10.728 -0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 160 4.603 11.630 -1.985 1.00 0.00 H new ATOM 0 HG LEU A 160 2.418 10.794 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 160 2.430 9.704 1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 160 3.275 8.706 -0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 160 4.208 9.660 1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 160 2.490 12.186 1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 160 4.269 12.150 0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 160 3.366 12.973 -0.333 1.00 0.00 H new ATOM 429 N ASN A 161 6.260 8.410 -0.936 1.00 0.00 N ATOM 430 CA ASN A 161 6.863 7.273 -0.165 1.00 0.00 C ATOM 431 C ASN A 161 5.875 6.783 0.900 1.00 0.00 C ATOM 432 O ASN A 161 5.688 7.408 1.927 1.00 0.00 O ATOM 433 CB ASN A 161 8.165 7.736 0.502 1.00 0.00 C ATOM 434 CG ASN A 161 7.891 8.932 1.419 1.00 0.00 C ATOM 435 OD1 ASN A 161 7.197 9.855 1.045 1.00 0.00 O ATOM 436 ND2 ASN A 161 8.414 8.953 2.615 1.00 0.00 N ATOM 0 H ASN A 161 6.844 9.244 -1.002 1.00 0.00 H new ATOM 0 HA ASN A 161 7.082 6.452 -0.848 1.00 0.00 H new ATOM 0 HB2 ASN A 161 8.598 6.918 1.078 1.00 0.00 H new ATOM 0 HB3 ASN A 161 8.895 8.011 -0.259 1.00 0.00 H new ATOM 0 HD21 ASN A 161 8.239 9.744 3.234 1.00 0.00 H new ATOM 0 HD22 ASN A 161 8.997 8.178 2.930 1.00 0.00 H new ATOM 443 N GLY A 162 5.230 5.674 0.642 1.00 0.00 N ATOM 444 CA GLY A 162 4.234 5.147 1.622 1.00 0.00 C ATOM 445 C GLY A 162 4.343 3.628 1.718 1.00 0.00 C ATOM 446 O GLY A 162 5.100 3.102 2.513 1.00 0.00 O ATOM 0 H GLY A 162 5.349 5.113 -0.201 1.00 0.00 H new ATOM 0 HA2 GLY A 162 4.405 5.594 2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 162 3.227 5.428 1.315 1.00 0.00 H new ATOM 450 N PHE A 163 3.579 2.918 0.925 1.00 0.00 N ATOM 451 CA PHE A 163 3.624 1.430 0.983 1.00 0.00 C ATOM 452 C PHE A 163 3.148 0.828 -0.346 1.00 0.00 C ATOM 453 O PHE A 163 1.992 0.948 -0.715 1.00 0.00 O ATOM 454 CB PHE A 163 2.703 0.947 2.111 1.00 0.00 C ATOM 455 CG PHE A 163 3.510 0.695 3.364 1.00 0.00 C ATOM 456 CD1 PHE A 163 4.165 -0.530 3.538 1.00 0.00 C ATOM 457 CD2 PHE A 163 3.596 1.681 4.352 1.00 0.00 C ATOM 458 CE1 PHE A 163 4.908 -0.768 4.701 1.00 0.00 C ATOM 459 CE2 PHE A 163 4.339 1.443 5.516 1.00 0.00 C ATOM 460 CZ PHE A 163 4.994 0.219 5.689 1.00 0.00 C ATOM 0 H PHE A 163 2.928 3.306 0.242 1.00 0.00 H new ATOM 0 HA PHE A 163 4.650 1.112 1.168 1.00 0.00 H new ATOM 0 HB2 PHE A 163 1.933 1.693 2.308 1.00 0.00 H new ATOM 0 HB3 PHE A 163 2.191 0.034 1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 163 4.097 -1.292 2.775 1.00 0.00 H new ATOM 0 HD2 PHE A 163 3.090 2.626 4.218 1.00 0.00 H new ATOM 0 HE1 PHE A 163 5.414 -1.713 4.835 1.00 0.00 H new ATOM 0 HE2 PHE A 163 4.406 2.204 6.279 1.00 0.00 H new ATOM 0 HZ PHE A 163 5.567 0.036 6.586 1.00 0.00 H new ATOM 470 N ARG A 164 4.030 0.173 -1.058 1.00 0.00 N ATOM 471 CA ARG A 164 3.643 -0.460 -2.350 1.00 0.00 C ATOM 472 C ARG A 164 3.862 -1.969 -2.272 1.00 0.00 C ATOM 473 O ARG A 164 4.775 -2.443 -1.622 1.00 0.00 O ATOM 474 CB ARG A 164 4.521 0.065 -3.482 1.00 0.00 C ATOM 475 CG ARG A 164 5.996 -0.018 -3.074 1.00 0.00 C ATOM 476 CD ARG A 164 6.879 0.415 -4.245 1.00 0.00 C ATOM 477 NE ARG A 164 7.317 -0.790 -5.005 1.00 0.00 N ATOM 478 CZ ARG A 164 7.122 -0.855 -6.295 1.00 0.00 C ATOM 479 NH1 ARG A 164 5.978 -1.275 -6.760 1.00 0.00 N ATOM 480 NH2 ARG A 164 8.073 -0.500 -7.116 1.00 0.00 N ATOM 0 H ARG A 164 5.008 0.050 -0.795 1.00 0.00 H new ATOM 0 HA ARG A 164 2.595 -0.225 -2.539 1.00 0.00 H new ATOM 0 HB2 ARG A 164 4.351 -0.518 -4.387 1.00 0.00 H new ATOM 0 HB3 ARG A 164 4.255 1.097 -3.713 1.00 0.00 H new ATOM 0 HG2 ARG A 164 6.181 0.621 -2.211 1.00 0.00 H new ATOM 0 HG3 ARG A 164 6.244 -1.037 -2.776 1.00 0.00 H new ATOM 0 HD2 ARG A 164 6.329 1.091 -4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 164 7.747 0.963 -3.878 1.00 0.00 H new ATOM 0 HE ARG A 164 7.769 -1.564 -4.518 1.00 0.00 H new ATOM 0 HH11 ARG A 164 5.237 -1.552 -6.117 1.00 0.00 H new ATOM 0 HH12 ARG A 164 5.825 -1.326 -7.767 1.00 0.00 H new ATOM 0 HH21 ARG A 164 8.967 -0.172 -6.750 1.00 0.00 H new ATOM 0 HH22 ARG A 164 7.922 -0.550 -8.124 1.00 0.00 H new ATOM 494 N CYS A 165 3.052 -2.723 -2.967 1.00 0.00 N ATOM 495 CA CYS A 165 3.223 -4.202 -2.988 1.00 0.00 C ATOM 496 C CYS A 165 4.255 -4.511 -4.072 1.00 0.00 C ATOM 497 O CYS A 165 4.060 -4.171 -5.226 1.00 0.00 O ATOM 498 CB CYS A 165 1.876 -4.852 -3.328 1.00 0.00 C ATOM 499 SG CYS A 165 2.013 -6.666 -3.453 1.00 0.00 S ATOM 0 H CYS A 165 2.273 -2.373 -3.525 1.00 0.00 H new ATOM 0 HA CYS A 165 3.557 -4.588 -2.025 1.00 0.00 H new ATOM 0 HB2 CYS A 165 1.144 -4.595 -2.562 1.00 0.00 H new ATOM 0 HB3 CYS A 165 1.506 -4.449 -4.271 1.00 0.00 H new ATOM 504 N GLN A 166 5.358 -5.124 -3.705 1.00 0.00 N ATOM 505 CA GLN A 166 6.421 -5.434 -4.711 1.00 0.00 C ATOM 506 C GLN A 166 6.166 -6.797 -5.370 1.00 0.00 C ATOM 507 O GLN A 166 7.039 -7.352 -6.010 1.00 0.00 O ATOM 508 CB GLN A 166 7.787 -5.452 -4.022 1.00 0.00 C ATOM 509 CG GLN A 166 8.871 -5.077 -5.036 1.00 0.00 C ATOM 510 CD GLN A 166 10.178 -4.771 -4.302 1.00 0.00 C ATOM 511 OE1 GLN A 166 10.231 -3.878 -3.482 1.00 0.00 O ATOM 512 NE2 GLN A 166 11.241 -5.480 -4.565 1.00 0.00 N ATOM 0 H GLN A 166 5.566 -5.422 -2.752 1.00 0.00 H new ATOM 0 HA GLN A 166 6.403 -4.664 -5.482 1.00 0.00 H new ATOM 0 HB2 GLN A 166 7.795 -4.751 -3.188 1.00 0.00 H new ATOM 0 HB3 GLN A 166 7.986 -6.441 -3.609 1.00 0.00 H new ATOM 0 HG2 GLN A 166 9.021 -5.894 -5.741 1.00 0.00 H new ATOM 0 HG3 GLN A 166 8.556 -4.209 -5.616 1.00 0.00 H new ATOM 0 HE21 GLN A 166 11.196 -6.230 -5.254 1.00 0.00 H new ATOM 0 HE22 GLN A 166 12.117 -5.284 -4.081 1.00 0.00 H new ATOM 521 N THR A 167 4.981 -7.332 -5.231 1.00 0.00 N ATOM 522 CA THR A 167 4.656 -8.645 -5.855 1.00 0.00 C ATOM 523 C THR A 167 3.577 -8.435 -6.921 1.00 0.00 C ATOM 524 O THR A 167 3.494 -9.176 -7.883 1.00 0.00 O ATOM 525 CB THR A 167 4.152 -9.610 -4.789 1.00 0.00 C ATOM 526 OG1 THR A 167 4.933 -9.464 -3.611 1.00 0.00 O ATOM 527 CG2 THR A 167 4.259 -11.048 -5.299 1.00 0.00 C ATOM 0 H THR A 167 4.217 -6.908 -4.705 1.00 0.00 H new ATOM 0 HA THR A 167 5.549 -9.066 -6.317 1.00 0.00 H new ATOM 0 HB THR A 167 3.109 -9.386 -4.565 1.00 0.00 H new ATOM 0 HG1 THR A 167 4.608 -10.083 -2.924 1.00 0.00 H new ATOM 0 HG21 THR A 167 3.897 -11.734 -4.533 1.00 0.00 H new ATOM 0 HG22 THR A 167 3.656 -11.160 -6.200 1.00 0.00 H new ATOM 0 HG23 THR A 167 5.300 -11.276 -5.528 1.00 0.00 H new ATOM 535 N CYS A 168 2.753 -7.418 -6.766 1.00 0.00 N ATOM 536 CA CYS A 168 1.690 -7.152 -7.778 1.00 0.00 C ATOM 537 C CYS A 168 1.886 -5.764 -8.394 1.00 0.00 C ATOM 538 O CYS A 168 1.565 -5.545 -9.547 1.00 0.00 O ATOM 539 CB CYS A 168 0.303 -7.252 -7.129 1.00 0.00 C ATOM 540 SG CYS A 168 0.093 -6.022 -5.798 1.00 0.00 S ATOM 0 H CYS A 168 2.776 -6.766 -5.982 1.00 0.00 H new ATOM 0 HA CYS A 168 1.761 -7.900 -8.567 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -0.466 -7.103 -7.887 1.00 0.00 H new ATOM 0 HB3 CYS A 168 0.161 -8.254 -6.724 1.00 0.00 H new ATOM 545 N GLY A 169 2.407 -4.821 -7.641 1.00 0.00 N ATOM 546 CA GLY A 169 2.618 -3.457 -8.195 1.00 0.00 C ATOM 547 C GLY A 169 1.535 -2.530 -7.655 1.00 0.00 C ATOM 548 O GLY A 169 0.847 -1.863 -8.407 1.00 0.00 O ATOM 0 H GLY A 169 2.692 -4.944 -6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 169 3.604 -3.086 -7.917 1.00 0.00 H new ATOM 0 HA3 GLY A 169 2.583 -3.483 -9.284 1.00 0.00 H new ATOM 552 N TYR A 170 1.376 -2.482 -6.355 1.00 0.00 N ATOM 553 CA TYR A 170 0.328 -1.589 -5.770 1.00 0.00 C ATOM 554 C TYR A 170 1.005 -0.348 -5.186 1.00 0.00 C ATOM 555 O TYR A 170 2.150 -0.394 -4.779 1.00 0.00 O ATOM 556 CB TYR A 170 -0.446 -2.340 -4.674 1.00 0.00 C ATOM 557 CG TYR A 170 -1.929 -2.348 -4.997 1.00 0.00 C ATOM 558 CD1 TYR A 170 -2.653 -1.149 -5.005 1.00 0.00 C ATOM 559 CD2 TYR A 170 -2.578 -3.555 -5.285 1.00 0.00 C ATOM 560 CE1 TYR A 170 -4.022 -1.158 -5.301 1.00 0.00 C ATOM 561 CE2 TYR A 170 -3.946 -3.563 -5.581 1.00 0.00 C ATOM 562 CZ TYR A 170 -4.669 -2.365 -5.587 1.00 0.00 C ATOM 563 OH TYR A 170 -6.019 -2.376 -5.879 1.00 0.00 O ATOM 0 H TYR A 170 1.921 -3.017 -5.679 1.00 0.00 H new ATOM 0 HA TYR A 170 -0.377 -1.287 -6.545 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -0.078 -3.363 -4.593 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -0.279 -1.864 -3.708 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -2.155 -0.217 -4.783 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -2.022 -4.481 -5.279 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.579 -0.232 -5.308 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -4.444 -4.495 -5.805 1.00 0.00 H new ATOM 0 HH TYR A 170 -6.308 -3.296 -6.054 1.00 0.00 H new ATOM 573 N LYS A 171 0.312 0.762 -5.159 1.00 0.00 N ATOM 574 CA LYS A 171 0.920 2.013 -4.619 1.00 0.00 C ATOM 575 C LYS A 171 -0.133 2.804 -3.850 1.00 0.00 C ATOM 576 O LYS A 171 -1.012 3.405 -4.439 1.00 0.00 O ATOM 577 CB LYS A 171 1.451 2.879 -5.772 1.00 0.00 C ATOM 578 CG LYS A 171 0.452 2.902 -6.935 1.00 0.00 C ATOM 579 CD LYS A 171 1.013 3.761 -8.067 1.00 0.00 C ATOM 580 CE LYS A 171 1.945 2.913 -8.934 1.00 0.00 C ATOM 581 NZ LYS A 171 2.288 3.664 -10.174 1.00 0.00 N ATOM 0 H LYS A 171 -0.649 0.855 -5.488 1.00 0.00 H new ATOM 0 HA LYS A 171 1.742 1.747 -3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 171 1.629 3.895 -5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 171 2.409 2.488 -6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 171 0.267 1.888 -7.290 1.00 0.00 H new ATOM 0 HG3 LYS A 171 -0.505 3.302 -6.600 1.00 0.00 H new ATOM 0 HD2 LYS A 171 0.199 4.161 -8.672 1.00 0.00 H new ATOM 0 HD3 LYS A 171 1.555 4.613 -7.657 1.00 0.00 H new ATOM 0 HE2 LYS A 171 2.852 2.669 -8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 171 1.463 1.969 -9.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 2.922 3.088 -10.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 1.418 3.875 -10.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 2.764 4.553 -9.921 1.00 0.00 H new ATOM 595 N PHE A 172 -0.052 2.821 -2.540 1.00 0.00 N ATOM 596 CA PHE A 172 -1.062 3.590 -1.764 1.00 0.00 C ATOM 597 C PHE A 172 -0.540 3.956 -0.369 1.00 0.00 C ATOM 598 O PHE A 172 0.534 3.552 0.035 1.00 0.00 O ATOM 599 CB PHE A 172 -2.350 2.786 -1.659 1.00 0.00 C ATOM 600 CG PHE A 172 -2.080 1.387 -1.147 1.00 0.00 C ATOM 601 CD1 PHE A 172 -1.626 1.187 0.163 1.00 0.00 C ATOM 602 CD2 PHE A 172 -2.317 0.289 -1.977 1.00 0.00 C ATOM 603 CE1 PHE A 172 -1.406 -0.109 0.638 1.00 0.00 C ATOM 604 CE2 PHE A 172 -2.101 -1.009 -1.502 1.00 0.00 C ATOM 605 CZ PHE A 172 -1.643 -1.210 -0.193 1.00 0.00 C ATOM 0 H PHE A 172 0.659 2.343 -1.987 1.00 0.00 H new ATOM 0 HA PHE A 172 -1.262 4.522 -2.292 1.00 0.00 H new ATOM 0 HB2 PHE A 172 -3.045 3.293 -0.990 1.00 0.00 H new ATOM 0 HB3 PHE A 172 -2.829 2.732 -2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 172 -1.446 2.035 0.807 1.00 0.00 H new ATOM 0 HD2 PHE A 172 -2.668 0.442 -2.987 1.00 0.00 H new ATOM 0 HE1 PHE A 172 -1.053 -0.261 1.647 1.00 0.00 H new ATOM 0 HE2 PHE A 172 -2.287 -1.857 -2.145 1.00 0.00 H new ATOM 0 HZ PHE A 172 -1.473 -2.212 0.174 1.00 0.00 H new ATOM 615 N HIS A 173 -1.286 4.761 0.349 1.00 0.00 N ATOM 616 CA HIS A 173 -0.848 5.218 1.710 1.00 0.00 C ATOM 617 C HIS A 173 -1.434 4.326 2.829 1.00 0.00 C ATOM 618 O HIS A 173 -1.875 3.221 2.596 1.00 0.00 O ATOM 619 CB HIS A 173 -1.299 6.672 1.946 1.00 0.00 C ATOM 620 CG HIS A 173 -1.500 7.416 0.674 1.00 0.00 C ATOM 621 ND1 HIS A 173 -2.741 7.475 0.025 1.00 0.00 N ATOM 622 CD2 HIS A 173 -0.654 8.206 -0.028 1.00 0.00 C ATOM 623 CE1 HIS A 173 -2.564 8.310 -1.008 1.00 0.00 C ATOM 624 NE2 HIS A 173 -1.312 8.771 -1.078 1.00 0.00 N ATOM 0 H HIS A 173 -2.190 5.126 0.048 1.00 0.00 H new ATOM 0 HA HIS A 173 0.239 5.147 1.744 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -2.228 6.674 2.516 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -0.553 7.187 2.551 1.00 0.00 H new ATOM 0 HD2 HIS A 173 0.388 8.365 0.209 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -3.344 8.580 -1.704 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -0.929 9.412 -1.773 1.00 0.00 H new ATOM 632 N GLU A 174 -1.425 4.815 4.054 1.00 0.00 N ATOM 633 CA GLU A 174 -1.956 4.030 5.216 1.00 0.00 C ATOM 634 C GLU A 174 -3.479 3.855 5.118 1.00 0.00 C ATOM 635 O GLU A 174 -4.030 2.900 5.630 1.00 0.00 O ATOM 636 CB GLU A 174 -1.619 4.768 6.514 1.00 0.00 C ATOM 637 CG GLU A 174 -2.133 6.208 6.426 1.00 0.00 C ATOM 638 CD GLU A 174 -2.261 6.793 7.833 1.00 0.00 C ATOM 639 OE1 GLU A 174 -1.294 6.726 8.571 1.00 0.00 O ATOM 640 OE2 GLU A 174 -3.325 7.301 8.147 1.00 0.00 O ATOM 0 H GLU A 174 -1.066 5.738 4.297 1.00 0.00 H new ATOM 0 HA GLU A 174 -1.494 3.043 5.206 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -2.074 4.259 7.364 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -0.542 4.764 6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -1.450 6.813 5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -3.100 6.230 5.923 1.00 0.00 H new ATOM 647 N HIS A 175 -4.158 4.751 4.444 1.00 0.00 N ATOM 648 CA HIS A 175 -5.647 4.625 4.285 1.00 0.00 C ATOM 649 C HIS A 175 -5.984 3.459 3.367 1.00 0.00 C ATOM 650 O HIS A 175 -7.143 3.187 3.106 1.00 0.00 O ATOM 651 CB HIS A 175 -6.176 5.874 3.572 1.00 0.00 C ATOM 652 CG HIS A 175 -6.359 6.994 4.561 1.00 0.00 C ATOM 653 ND1 HIS A 175 -5.467 7.205 5.627 1.00 0.00 N ATOM 654 CD2 HIS A 175 -7.314 7.970 4.671 1.00 0.00 C ATOM 655 CE1 HIS A 175 -5.922 8.273 6.304 1.00 0.00 C ATOM 656 NE2 HIS A 175 -7.040 8.766 5.756 1.00 0.00 N ATOM 0 H HIS A 175 -3.746 5.569 3.994 1.00 0.00 H new ATOM 0 HA HIS A 175 -6.083 4.489 5.275 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -5.480 6.178 2.790 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -7.125 5.650 3.085 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -8.155 8.095 4.005 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -5.445 8.683 7.182 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -7.579 9.570 6.079 1.00 0.00 H new ATOM 664 N CYS A 176 -4.993 2.863 2.768 1.00 0.00 N ATOM 665 CA CYS A 176 -5.255 1.843 1.754 1.00 0.00 C ATOM 666 C CYS A 176 -4.374 0.612 1.982 1.00 0.00 C ATOM 667 O CYS A 176 -4.109 -0.146 1.069 1.00 0.00 O ATOM 668 CB CYS A 176 -4.955 2.504 0.395 1.00 0.00 C ATOM 669 SG CYS A 176 -4.903 4.357 0.555 1.00 0.00 S ATOM 0 H CYS A 176 -4.007 3.051 2.949 1.00 0.00 H new ATOM 0 HA CYS A 176 -6.286 1.493 1.797 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -4.001 2.141 0.012 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -5.718 2.219 -0.329 1.00 0.00 H new ATOM 674 N SER A 177 -3.948 0.392 3.201 1.00 0.00 N ATOM 675 CA SER A 177 -3.117 -0.807 3.501 1.00 0.00 C ATOM 676 C SER A 177 -4.057 -1.932 3.925 1.00 0.00 C ATOM 677 O SER A 177 -3.954 -3.054 3.467 1.00 0.00 O ATOM 678 CB SER A 177 -2.146 -0.491 4.638 1.00 0.00 C ATOM 679 OG SER A 177 -0.923 -0.015 4.093 1.00 0.00 O ATOM 0 H SER A 177 -4.142 0.994 4.001 1.00 0.00 H new ATOM 0 HA SER A 177 -2.541 -1.101 2.623 1.00 0.00 H new ATOM 0 HB2 SER A 177 -2.577 0.258 5.302 1.00 0.00 H new ATOM 0 HB3 SER A 177 -1.967 -1.384 5.237 1.00 0.00 H new ATOM 0 HG SER A 177 -0.299 0.190 4.820 1.00 0.00 H new ATOM 685 N THR A 178 -4.989 -1.621 4.788 1.00 0.00 N ATOM 686 CA THR A 178 -5.972 -2.642 5.249 1.00 0.00 C ATOM 687 C THR A 178 -7.351 -2.290 4.681 1.00 0.00 C ATOM 688 O THR A 178 -8.156 -3.155 4.398 1.00 0.00 O ATOM 689 CB THR A 178 -6.029 -2.647 6.779 1.00 0.00 C ATOM 690 OG1 THR A 178 -7.073 -3.509 7.208 1.00 0.00 O ATOM 691 CG2 THR A 178 -6.293 -1.230 7.292 1.00 0.00 C ATOM 0 H THR A 178 -5.111 -0.694 5.196 1.00 0.00 H new ATOM 0 HA THR A 178 -5.671 -3.631 4.903 1.00 0.00 H new ATOM 0 HB THR A 178 -5.077 -3.000 7.175 1.00 0.00 H new ATOM 0 HG1 THR A 178 -7.111 -3.515 8.187 1.00 0.00 H new ATOM 0 HG21 THR A 178 -6.333 -1.239 8.381 1.00 0.00 H new ATOM 0 HG22 THR A 178 -5.491 -0.569 6.963 1.00 0.00 H new ATOM 0 HG23 THR A 178 -7.244 -0.871 6.897 1.00 0.00 H new ATOM 699 N LYS A 179 -7.619 -1.018 4.509 1.00 0.00 N ATOM 700 CA LYS A 179 -8.937 -0.586 3.955 1.00 0.00 C ATOM 701 C LYS A 179 -9.131 -1.168 2.548 1.00 0.00 C ATOM 702 O LYS A 179 -10.240 -1.254 2.057 1.00 0.00 O ATOM 703 CB LYS A 179 -8.977 0.943 3.887 1.00 0.00 C ATOM 704 CG LYS A 179 -10.429 1.415 3.798 1.00 0.00 C ATOM 705 CD LYS A 179 -10.479 2.780 3.106 1.00 0.00 C ATOM 706 CE LYS A 179 -11.699 3.558 3.602 1.00 0.00 C ATOM 707 NZ LYS A 179 -12.886 3.196 2.777 1.00 0.00 N ATOM 0 H LYS A 179 -6.976 -0.258 4.730 1.00 0.00 H new ATOM 0 HA LYS A 179 -9.737 -0.948 4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -8.499 1.369 4.769 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -8.416 1.293 3.020 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -11.025 0.691 3.242 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -10.862 1.485 4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -9.567 3.340 3.316 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -10.532 2.650 2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -11.888 3.329 4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -11.511 4.630 3.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -13.716 3.724 3.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -12.703 3.435 1.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -13.068 2.175 2.860 1.00 0.00 H new ATOM 721 N VAL A 180 -8.062 -1.573 1.894 1.00 0.00 N ATOM 722 CA VAL A 180 -8.181 -2.151 0.517 1.00 0.00 C ATOM 723 C VAL A 180 -9.217 -3.304 0.530 1.00 0.00 C ATOM 724 O VAL A 180 -9.275 -4.046 1.490 1.00 0.00 O ATOM 725 CB VAL A 180 -6.802 -2.672 0.085 1.00 0.00 C ATOM 726 CG1 VAL A 180 -6.318 -3.733 1.074 1.00 0.00 C ATOM 727 CG2 VAL A 180 -6.883 -3.279 -1.318 1.00 0.00 C ATOM 0 H VAL A 180 -7.111 -1.527 2.259 1.00 0.00 H new ATOM 0 HA VAL A 180 -8.518 -1.391 -0.188 1.00 0.00 H new ATOM 0 HB VAL A 180 -6.099 -1.839 0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -5.340 -4.100 0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -6.243 -3.295 2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -7.026 -4.561 1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -5.900 -3.645 -1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -7.593 -4.106 -1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -7.215 -2.518 -2.025 1.00 0.00 H new ATOM 737 N PRO A 181 -10.028 -3.415 -0.512 1.00 0.00 N ATOM 738 CA PRO A 181 -11.067 -4.461 -0.571 1.00 0.00 C ATOM 739 C PRO A 181 -10.483 -5.846 -0.907 1.00 0.00 C ATOM 740 O PRO A 181 -10.292 -6.669 -0.032 1.00 0.00 O ATOM 741 CB PRO A 181 -12.013 -3.971 -1.675 1.00 0.00 C ATOM 742 CG PRO A 181 -11.194 -3.003 -2.557 1.00 0.00 C ATOM 743 CD PRO A 181 -10.002 -2.531 -1.708 1.00 0.00 C ATOM 0 HA PRO A 181 -11.566 -4.599 0.388 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -12.389 -4.808 -2.263 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -12.880 -3.467 -1.248 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -10.850 -3.502 -3.463 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -11.804 -2.156 -2.872 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -9.063 -2.627 -2.253 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -10.103 -1.482 -1.429 1.00 0.00 H new ATOM 751 N THR A 182 -10.232 -6.121 -2.166 1.00 0.00 N ATOM 752 CA THR A 182 -9.700 -7.465 -2.555 1.00 0.00 C ATOM 753 C THR A 182 -8.181 -7.533 -2.359 1.00 0.00 C ATOM 754 O THR A 182 -7.525 -6.537 -2.124 1.00 0.00 O ATOM 755 CB THR A 182 -10.043 -7.731 -4.019 1.00 0.00 C ATOM 756 OG1 THR A 182 -9.446 -8.951 -4.428 1.00 0.00 O ATOM 757 CG2 THR A 182 -9.512 -6.590 -4.881 1.00 0.00 C ATOM 0 H THR A 182 -10.373 -5.472 -2.940 1.00 0.00 H new ATOM 0 HA THR A 182 -10.158 -8.222 -1.919 1.00 0.00 H new ATOM 0 HB THR A 182 -11.125 -7.799 -4.134 1.00 0.00 H new ATOM 0 HG1 THR A 182 -9.694 -9.141 -5.357 1.00 0.00 H new ATOM 0 HG21 THR A 182 -9.757 -6.779 -5.926 1.00 0.00 H new ATOM 0 HG22 THR A 182 -9.969 -5.652 -4.565 1.00 0.00 H new ATOM 0 HG23 THR A 182 -8.430 -6.522 -4.768 1.00 0.00 H new ATOM 765 N MET A 183 -7.625 -8.719 -2.455 1.00 0.00 N ATOM 766 CA MET A 183 -6.153 -8.886 -2.275 1.00 0.00 C ATOM 767 C MET A 183 -5.517 -9.321 -3.599 1.00 0.00 C ATOM 768 O MET A 183 -6.094 -9.173 -4.658 1.00 0.00 O ATOM 769 CB MET A 183 -5.889 -9.950 -1.192 1.00 0.00 C ATOM 770 CG MET A 183 -4.942 -9.383 -0.129 1.00 0.00 C ATOM 771 SD MET A 183 -5.144 -10.311 1.412 1.00 0.00 S ATOM 772 CE MET A 183 -6.659 -9.493 1.965 1.00 0.00 C ATOM 0 H MET A 183 -8.134 -9.581 -2.652 1.00 0.00 H new ATOM 0 HA MET A 183 -5.713 -7.938 -1.965 1.00 0.00 H new ATOM 0 HB2 MET A 183 -6.829 -10.254 -0.731 1.00 0.00 H new ATOM 0 HB3 MET A 183 -5.453 -10.841 -1.643 1.00 0.00 H new ATOM 0 HG2 MET A 183 -3.910 -9.449 -0.473 1.00 0.00 H new ATOM 0 HG3 MET A 183 -5.156 -8.327 0.039 1.00 0.00 H new ATOM 0 HE1 MET A 183 -6.437 -8.855 2.820 1.00 0.00 H new ATOM 0 HE2 MET A 183 -7.061 -8.886 1.154 1.00 0.00 H new ATOM 0 HE3 MET A 183 -7.394 -10.245 2.254 1.00 0.00 H new ATOM 782 N CYS A 184 -4.320 -9.841 -3.535 1.00 0.00 N ATOM 783 CA CYS A 184 -3.606 -10.277 -4.768 1.00 0.00 C ATOM 784 C CYS A 184 -3.880 -11.755 -5.063 1.00 0.00 C ATOM 785 O CYS A 184 -2.971 -12.517 -5.343 1.00 0.00 O ATOM 786 CB CYS A 184 -2.105 -10.065 -4.555 1.00 0.00 C ATOM 787 SG CYS A 184 -1.706 -8.361 -4.972 1.00 0.00 S ATOM 0 H CYS A 184 -3.801 -9.983 -2.669 1.00 0.00 H new ATOM 0 HA CYS A 184 -3.960 -9.692 -5.617 1.00 0.00 H new ATOM 0 HB2 CYS A 184 -1.836 -10.275 -3.520 1.00 0.00 H new ATOM 0 HB3 CYS A 184 -1.533 -10.752 -5.179 1.00 0.00 H new ATOM 792 N VAL A 185 -5.122 -12.168 -5.016 1.00 0.00 N ATOM 793 CA VAL A 185 -5.441 -13.599 -5.303 1.00 0.00 C ATOM 794 C VAL A 185 -6.802 -13.699 -6.000 1.00 0.00 C ATOM 795 O VAL A 185 -7.603 -14.563 -5.706 1.00 0.00 O ATOM 796 CB VAL A 185 -5.444 -14.390 -3.987 1.00 0.00 C ATOM 797 CG1 VAL A 185 -6.540 -13.859 -3.057 1.00 0.00 C ATOM 798 CG2 VAL A 185 -5.690 -15.873 -4.276 1.00 0.00 C ATOM 0 H VAL A 185 -5.924 -11.579 -4.793 1.00 0.00 H new ATOM 0 HA VAL A 185 -4.686 -14.020 -5.966 1.00 0.00 H new ATOM 0 HB VAL A 185 -4.476 -14.271 -3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 185 -6.534 -14.426 -2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 185 -6.356 -12.807 -2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 185 -7.511 -13.966 -3.541 1.00 0.00 H new ATOM 0 HG21 VAL A 185 -5.691 -16.431 -3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 185 -6.654 -15.992 -4.771 1.00 0.00 H new ATOM 0 HG23 VAL A 185 -4.900 -16.253 -4.924 1.00 0.00 H new ATOM 808 N ASP A 186 -7.057 -12.816 -6.932 1.00 0.00 N ATOM 809 CA ASP A 186 -8.359 -12.833 -7.680 1.00 0.00 C ATOM 810 C ASP A 186 -8.472 -11.557 -8.523 1.00 0.00 C ATOM 811 O ASP A 186 -7.564 -10.749 -8.564 1.00 0.00 O ATOM 812 CB ASP A 186 -9.551 -12.893 -6.707 1.00 0.00 C ATOM 813 CG ASP A 186 -9.346 -11.881 -5.575 1.00 0.00 C ATOM 814 OD1 ASP A 186 -8.723 -10.863 -5.825 1.00 0.00 O ATOM 815 OD2 ASP A 186 -9.816 -12.143 -4.480 1.00 0.00 O ATOM 0 H ASP A 186 -6.414 -12.075 -7.212 1.00 0.00 H new ATOM 0 HA ASP A 186 -8.380 -13.717 -8.318 1.00 0.00 H new ATOM 0 HB2 ASP A 186 -10.478 -12.676 -7.238 1.00 0.00 H new ATOM 0 HB3 ASP A 186 -9.647 -13.898 -6.296 1.00 0.00 H new ATOM 820 N TRP A 187 -9.585 -11.372 -9.189 1.00 0.00 N ATOM 821 CA TRP A 187 -9.771 -10.150 -10.026 1.00 0.00 C ATOM 822 C TRP A 187 -9.729 -8.908 -9.130 1.00 0.00 C ATOM 823 O TRP A 187 -9.801 -7.815 -9.664 1.00 0.00 O ATOM 824 CB TRP A 187 -11.127 -10.229 -10.742 1.00 0.00 C ATOM 825 CG TRP A 187 -11.297 -9.050 -11.649 1.00 0.00 C ATOM 826 CD1 TRP A 187 -12.219 -8.074 -11.480 1.00 0.00 C ATOM 827 CD2 TRP A 187 -10.550 -8.706 -12.853 1.00 0.00 C ATOM 828 NE1 TRP A 187 -12.087 -7.153 -12.505 1.00 0.00 N ATOM 829 CE2 TRP A 187 -11.072 -7.498 -13.375 1.00 0.00 C ATOM 830 CE3 TRP A 187 -9.483 -9.317 -13.535 1.00 0.00 C ATOM 831 CZ2 TRP A 187 -10.553 -6.918 -14.534 1.00 0.00 C ATOM 832 CZ3 TRP A 187 -8.958 -8.736 -14.702 1.00 0.00 C ATOM 833 CH2 TRP A 187 -9.492 -7.540 -15.200 1.00 0.00 C ATOM 834 OXT TRP A 187 -9.624 -9.074 -7.925 1.00 0.00 O ATOM 0 H TRP A 187 -10.374 -12.018 -9.188 1.00 0.00 H new ATOM 0 HA TRP A 187 -8.974 -10.085 -10.767 1.00 0.00 H new ATOM 0 HB2 TRP A 187 -11.190 -11.153 -11.317 1.00 0.00 H new ATOM 0 HB3 TRP A 187 -11.934 -10.254 -10.009 1.00 0.00 H new ATOM 0 HD1 TRP A 187 -12.940 -8.022 -10.677 1.00 0.00 H new ATOM 0 HE1 TRP A 187 -12.669 -6.321 -12.605 1.00 0.00 H new ATOM 0 HE3 TRP A 187 -9.064 -10.239 -13.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 187 -10.968 -5.996 -14.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 187 -8.138 -9.214 -15.218 1.00 0.00 H new ATOM 0 HH2 TRP A 187 -9.085 -7.099 -16.098 1.00 0.00 H new TER 845 TRP A 187 HETATM 846 ZN ZN A 1 -4.244 6.284 -0.569 1.00 0.00 ZN HETATM 847 ZN ZN A 2 -0.225 -7.085 -3.759 1.00 0.00 ZN