USER MOD reduce.3.24.130724 H: found=0, std=0, add=346, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 339 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 152 CYS SG : rot 13:sc= -0.813 USER MOD Set 1.2: A 155 CYS SG : rot 145:sc= 1.37 USER MOD Set 1.3: A 173 HIS : no HD1:sc= -3.65! C(o=-6.5!,f=-16!) USER MOD Set 1.4: A 176 CYS SG : rot 175:sc= -3.44! USER MOD Set 2.1: A 145 THR OG1 : rot -36:sc= 1.01 USER MOD Set 2.2: A 161 ASN : amide:sc= 0.486 K(o=1.5,f=-8.9!) USER MOD Set 3.1: A 139 HIS : no HD1:sc= -0.628 K(o=-1.2,f=-2.2) USER MOD Set 3.2: A 165 CYS SG : rot 149:sc= -0.136 USER MOD Set 3.3: A 167 THR OG1 : rot 64:sc= 0.208 USER MOD Set 3.4: A 168 CYS SG : rot -68:sc= -0.611 USER MOD Single : A 140 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 166 GLN : amide:sc= -0.302 K(o=-0.3,f=-1.2) USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 LYS NZ :NH3+ -164:sc= 0.0284 (180deg=-0.194) USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=-0.15) 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 ----------------------------------------------------------------- ATOM 50 N HIS A 139 0.185 -10.325 -0.836 1.00 0.00 N ATOM 51 CA HIS A 139 0.580 -8.977 -1.344 1.00 0.00 C ATOM 52 C HIS A 139 2.081 -8.793 -1.114 1.00 0.00 C ATOM 53 O HIS A 139 2.789 -9.728 -0.790 1.00 0.00 O ATOM 54 CB HIS A 139 -0.192 -7.879 -0.595 1.00 0.00 C ATOM 55 CG HIS A 139 -1.177 -7.194 -1.517 1.00 0.00 C ATOM 56 ND1 HIS A 139 -0.866 -6.809 -2.848 1.00 0.00 N ATOM 57 CD2 HIS A 139 -2.474 -6.797 -1.306 1.00 0.00 C ATOM 58 CE1 HIS A 139 -1.976 -6.218 -3.330 1.00 0.00 C ATOM 59 NE2 HIS A 139 -2.964 -6.193 -2.431 1.00 0.00 N ATOM 0 HA HIS A 139 0.347 -8.903 -2.406 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -0.722 -8.314 0.253 1.00 0.00 H new ATOM 0 HB3 HIS A 139 0.507 -7.146 -0.192 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -3.025 -6.940 -0.388 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -2.058 -5.812 -4.327 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -3.897 -5.802 -2.558 1.00 0.00 H new ATOM 67 N ASN A 140 2.565 -7.594 -1.285 1.00 0.00 N ATOM 68 CA ASN A 140 4.019 -7.331 -1.085 1.00 0.00 C ATOM 69 C ASN A 140 4.232 -5.839 -0.836 1.00 0.00 C ATOM 70 O ASN A 140 5.095 -5.231 -1.441 1.00 0.00 O ATOM 71 CB ASN A 140 4.776 -7.761 -2.352 1.00 0.00 C ATOM 72 CG ASN A 140 5.949 -8.671 -1.975 1.00 0.00 C ATOM 73 OD1 ASN A 140 6.973 -8.203 -1.518 1.00 0.00 O ATOM 74 ND2 ASN A 140 5.842 -9.959 -2.149 1.00 0.00 N ATOM 0 H ASN A 140 2.013 -6.780 -1.556 1.00 0.00 H new ATOM 0 HA ASN A 140 4.389 -7.893 -0.227 1.00 0.00 H new ATOM 0 HB2 ASN A 140 4.101 -8.285 -3.029 1.00 0.00 H new ATOM 0 HB3 ASN A 140 5.142 -6.882 -2.883 1.00 0.00 H new ATOM 0 HD21 ASN A 140 6.618 -10.573 -1.901 1.00 0.00 H new ATOM 0 HD22 ASN A 140 4.983 -10.352 -2.533 1.00 0.00 H new ATOM 81 N PHE A 141 3.462 -5.234 0.035 1.00 0.00 N ATOM 82 CA PHE A 141 3.633 -3.764 0.252 1.00 0.00 C ATOM 83 C PHE A 141 4.030 -3.440 1.687 1.00 0.00 C ATOM 84 O PHE A 141 3.278 -3.592 2.627 1.00 0.00 O ATOM 85 CB PHE A 141 2.333 -3.023 -0.113 1.00 0.00 C ATOM 86 CG PHE A 141 1.174 -3.528 0.717 1.00 0.00 C ATOM 87 CD1 PHE A 141 0.489 -4.687 0.335 1.00 0.00 C ATOM 88 CD2 PHE A 141 0.775 -2.829 1.866 1.00 0.00 C ATOM 89 CE1 PHE A 141 -0.588 -5.151 1.103 1.00 0.00 C ATOM 90 CE2 PHE A 141 -0.299 -3.295 2.632 1.00 0.00 C ATOM 91 CZ PHE A 141 -0.980 -4.456 2.251 1.00 0.00 C ATOM 0 H PHE A 141 2.737 -5.683 0.595 1.00 0.00 H new ATOM 0 HA PHE A 141 4.442 -3.429 -0.397 1.00 0.00 H new ATOM 0 HB2 PHE A 141 2.462 -1.953 0.048 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.115 -3.162 -1.172 1.00 0.00 H new ATOM 0 HD1 PHE A 141 0.790 -5.224 -0.552 1.00 0.00 H new ATOM 0 HD2 PHE A 141 1.297 -1.930 2.159 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.115 -6.046 0.808 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.603 -2.758 3.518 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.808 -4.815 2.844 1.00 0.00 H new ATOM 101 N ALA A 142 5.234 -2.952 1.820 1.00 0.00 N ATOM 102 CA ALA A 142 5.771 -2.543 3.138 1.00 0.00 C ATOM 103 C ALA A 142 6.204 -1.089 2.996 1.00 0.00 C ATOM 104 O ALA A 142 5.926 -0.461 1.991 1.00 0.00 O ATOM 105 CB ALA A 142 6.978 -3.413 3.499 1.00 0.00 C ATOM 0 H ALA A 142 5.882 -2.819 1.043 1.00 0.00 H new ATOM 0 HA ALA A 142 5.025 -2.658 3.924 1.00 0.00 H new ATOM 0 HB1 ALA A 142 7.369 -3.108 4.470 1.00 0.00 H new ATOM 0 HB2 ALA A 142 6.673 -4.458 3.543 1.00 0.00 H new ATOM 0 HB3 ALA A 142 7.753 -3.293 2.742 1.00 0.00 H new ATOM 111 N ARG A 143 6.873 -0.540 3.970 1.00 0.00 N ATOM 112 CA ARG A 143 7.303 0.884 3.854 1.00 0.00 C ATOM 113 C ARG A 143 8.433 1.010 2.829 1.00 0.00 C ATOM 114 O ARG A 143 9.416 0.296 2.884 1.00 0.00 O ATOM 115 CB ARG A 143 7.803 1.386 5.211 1.00 0.00 C ATOM 116 CG ARG A 143 6.622 1.827 6.073 1.00 0.00 C ATOM 117 CD ARG A 143 7.122 2.711 7.220 1.00 0.00 C ATOM 118 NE ARG A 143 6.226 3.891 7.364 1.00 0.00 N ATOM 119 CZ ARG A 143 6.624 4.932 8.045 1.00 0.00 C ATOM 120 NH1 ARG A 143 7.267 5.896 7.446 1.00 0.00 N ATOM 121 NH2 ARG A 143 6.381 5.006 9.325 1.00 0.00 N ATOM 0 H ARG A 143 7.140 -1.009 4.835 1.00 0.00 H new ATOM 0 HA ARG A 143 6.451 1.481 3.531 1.00 0.00 H new ATOM 0 HB2 ARG A 143 8.359 0.597 5.718 1.00 0.00 H new ATOM 0 HB3 ARG A 143 8.491 2.219 5.069 1.00 0.00 H new ATOM 0 HG2 ARG A 143 5.901 2.375 5.466 1.00 0.00 H new ATOM 0 HG3 ARG A 143 6.105 0.955 6.472 1.00 0.00 H new ATOM 0 HD2 ARG A 143 7.143 2.142 8.149 1.00 0.00 H new ATOM 0 HD3 ARG A 143 8.143 3.038 7.023 1.00 0.00 H new ATOM 0 HE ARG A 143 5.302 3.887 6.931 1.00 0.00 H new ATOM 0 HH11 ARG A 143 7.459 5.837 6.446 1.00 0.00 H new ATOM 0 HH12 ARG A 143 7.578 6.709 7.978 1.00 0.00 H new ATOM 0 HH21 ARG A 143 5.880 4.251 9.794 1.00 0.00 H new ATOM 0 HH22 ARG A 143 6.692 5.819 9.857 1.00 0.00 H new ATOM 135 N LYS A 144 8.298 1.923 1.903 1.00 0.00 N ATOM 136 CA LYS A 144 9.357 2.123 0.871 1.00 0.00 C ATOM 137 C LYS A 144 8.987 3.331 0.005 1.00 0.00 C ATOM 138 O LYS A 144 7.944 3.930 0.183 1.00 0.00 O ATOM 139 CB LYS A 144 9.470 0.871 -0.005 1.00 0.00 C ATOM 140 CG LYS A 144 8.102 0.528 -0.608 1.00 0.00 C ATOM 141 CD LYS A 144 7.738 -0.926 -0.287 1.00 0.00 C ATOM 142 CE LYS A 144 8.696 -1.868 -1.019 1.00 0.00 C ATOM 143 NZ LYS A 144 8.993 -3.044 -0.152 1.00 0.00 N ATOM 0 H LYS A 144 7.493 2.543 1.817 1.00 0.00 H new ATOM 0 HA LYS A 144 10.316 2.301 1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 144 10.196 1.038 -0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 144 9.835 0.033 0.589 1.00 0.00 H new ATOM 0 HG2 LYS A 144 7.341 1.199 -0.209 1.00 0.00 H new ATOM 0 HG3 LYS A 144 8.124 0.676 -1.688 1.00 0.00 H new ATOM 0 HD2 LYS A 144 7.794 -1.097 0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 144 6.710 -1.129 -0.589 1.00 0.00 H new ATOM 0 HE2 LYS A 144 8.252 -2.198 -1.958 1.00 0.00 H new ATOM 0 HE3 LYS A 144 9.619 -1.344 -1.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 9.644 -3.685 -0.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 9.433 -2.720 0.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 8.109 -3.548 0.065 1.00 0.00 H new ATOM 157 N THR A 145 9.834 3.695 -0.928 1.00 0.00 N ATOM 158 CA THR A 145 9.527 4.870 -1.799 1.00 0.00 C ATOM 159 C THR A 145 9.171 4.390 -3.209 1.00 0.00 C ATOM 160 O THR A 145 9.423 3.257 -3.570 1.00 0.00 O ATOM 161 CB THR A 145 10.747 5.792 -1.867 1.00 0.00 C ATOM 162 OG1 THR A 145 11.518 5.647 -0.683 1.00 0.00 O ATOM 163 CG2 THR A 145 10.281 7.242 -2.001 1.00 0.00 C ATOM 0 H THR A 145 10.721 3.230 -1.122 1.00 0.00 H new ATOM 0 HA THR A 145 8.682 5.416 -1.379 1.00 0.00 H new ATOM 0 HB THR A 145 11.357 5.526 -2.730 1.00 0.00 H new ATOM 0 HG1 THR A 145 10.921 5.502 0.080 1.00 0.00 H new ATOM 0 HG21 THR A 145 11.149 7.900 -2.050 1.00 0.00 H new ATOM 0 HG22 THR A 145 9.691 7.352 -2.911 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.671 7.509 -1.138 1.00 0.00 H new ATOM 171 N PHE A 146 8.577 5.248 -3.999 1.00 0.00 N ATOM 172 CA PHE A 146 8.182 4.860 -5.383 1.00 0.00 C ATOM 173 C PHE A 146 9.260 5.282 -6.378 1.00 0.00 C ATOM 174 O PHE A 146 10.302 5.787 -6.006 1.00 0.00 O ATOM 175 CB PHE A 146 6.872 5.562 -5.744 1.00 0.00 C ATOM 176 CG PHE A 146 5.748 4.984 -4.926 1.00 0.00 C ATOM 177 CD1 PHE A 146 5.728 5.156 -3.536 1.00 0.00 C ATOM 178 CD2 PHE A 146 4.724 4.272 -5.557 1.00 0.00 C ATOM 179 CE1 PHE A 146 4.684 4.617 -2.780 1.00 0.00 C ATOM 180 CE2 PHE A 146 3.679 3.735 -4.801 1.00 0.00 C ATOM 181 CZ PHE A 146 3.660 3.905 -3.412 1.00 0.00 C ATOM 0 H PHE A 146 8.348 6.208 -3.740 1.00 0.00 H new ATOM 0 HA PHE A 146 8.057 3.778 -5.427 1.00 0.00 H new ATOM 0 HB2 PHE A 146 6.958 6.633 -5.558 1.00 0.00 H new ATOM 0 HB3 PHE A 146 6.663 5.439 -6.807 1.00 0.00 H new ATOM 0 HD1 PHE A 146 6.520 5.705 -3.049 1.00 0.00 H new ATOM 0 HD2 PHE A 146 4.741 4.137 -6.628 1.00 0.00 H new ATOM 0 HE1 PHE A 146 4.668 4.750 -1.708 1.00 0.00 H new ATOM 0 HE2 PHE A 146 2.885 3.188 -5.289 1.00 0.00 H new ATOM 0 HZ PHE A 146 2.854 3.486 -2.828 1.00 0.00 H new ATOM 191 N LEU A 147 9.005 5.082 -7.644 1.00 0.00 N ATOM 192 CA LEU A 147 9.993 5.472 -8.690 1.00 0.00 C ATOM 193 C LEU A 147 9.434 6.654 -9.483 1.00 0.00 C ATOM 194 O LEU A 147 8.348 6.585 -10.025 1.00 0.00 O ATOM 195 CB LEU A 147 10.235 4.290 -9.636 1.00 0.00 C ATOM 196 CG LEU A 147 10.587 3.045 -8.819 1.00 0.00 C ATOM 197 CD1 LEU A 147 9.305 2.300 -8.444 1.00 0.00 C ATOM 198 CD2 LEU A 147 11.484 2.126 -9.652 1.00 0.00 C ATOM 0 H LEU A 147 8.147 4.661 -8.000 1.00 0.00 H new ATOM 0 HA LEU A 147 10.936 5.753 -8.220 1.00 0.00 H new ATOM 0 HB2 LEU A 147 9.345 4.104 -10.237 1.00 0.00 H new ATOM 0 HB3 LEU A 147 11.044 4.524 -10.328 1.00 0.00 H new ATOM 0 HG LEU A 147 11.112 3.343 -7.912 1.00 0.00 H new ATOM 0 HD11 LEU A 147 9.556 1.413 -7.862 1.00 0.00 H new ATOM 0 HD12 LEU A 147 8.665 2.953 -7.851 1.00 0.00 H new ATOM 0 HD13 LEU A 147 8.779 2.002 -9.351 1.00 0.00 H new ATOM 0 HD21 LEU A 147 11.735 1.239 -9.071 1.00 0.00 H new ATOM 0 HD22 LEU A 147 10.958 1.829 -10.559 1.00 0.00 H new ATOM 0 HD23 LEU A 147 12.398 2.655 -9.920 1.00 0.00 H new ATOM 210 N LYS A 148 10.165 7.737 -9.542 1.00 0.00 N ATOM 211 CA LYS A 148 9.687 8.942 -10.289 1.00 0.00 C ATOM 212 C LYS A 148 8.366 9.443 -9.680 1.00 0.00 C ATOM 213 O LYS A 148 8.375 10.264 -8.782 1.00 0.00 O ATOM 214 CB LYS A 148 9.508 8.596 -11.774 1.00 0.00 C ATOM 215 CG LYS A 148 10.881 8.389 -12.418 1.00 0.00 C ATOM 216 CD LYS A 148 11.416 9.730 -12.923 1.00 0.00 C ATOM 217 CE LYS A 148 12.318 9.496 -14.136 1.00 0.00 C ATOM 218 NZ LYS A 148 12.743 10.808 -14.699 1.00 0.00 N ATOM 0 H LYS A 148 11.079 7.840 -9.102 1.00 0.00 H new ATOM 0 HA LYS A 148 10.427 9.738 -10.208 1.00 0.00 H new ATOM 0 HB2 LYS A 148 8.906 7.694 -11.878 1.00 0.00 H new ATOM 0 HB3 LYS A 148 8.972 9.397 -12.283 1.00 0.00 H new ATOM 0 HG2 LYS A 148 11.573 7.959 -11.694 1.00 0.00 H new ATOM 0 HG3 LYS A 148 10.804 7.682 -13.244 1.00 0.00 H new ATOM 0 HD2 LYS A 148 10.588 10.385 -13.193 1.00 0.00 H new ATOM 0 HD3 LYS A 148 11.974 10.232 -12.133 1.00 0.00 H new ATOM 0 HE2 LYS A 148 13.192 8.913 -13.846 1.00 0.00 H new ATOM 0 HE3 LYS A 148 11.786 8.919 -14.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 13.356 10.650 -15.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 11.904 11.349 -14.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 13.266 11.343 -13.976 1.00 0.00 H new ATOM 232 N LEU A 149 7.235 8.967 -10.150 1.00 0.00 N ATOM 233 CA LEU A 149 5.932 9.429 -9.582 1.00 0.00 C ATOM 234 C LEU A 149 4.923 8.274 -9.589 1.00 0.00 C ATOM 235 O LEU A 149 4.949 7.421 -10.455 1.00 0.00 O ATOM 236 CB LEU A 149 5.396 10.598 -10.426 1.00 0.00 C ATOM 237 CG LEU A 149 5.038 11.791 -9.525 1.00 0.00 C ATOM 238 CD1 LEU A 149 3.952 11.383 -8.525 1.00 0.00 C ATOM 239 CD2 LEU A 149 6.282 12.259 -8.762 1.00 0.00 C ATOM 0 H LEU A 149 7.161 8.280 -10.901 1.00 0.00 H new ATOM 0 HA LEU A 149 6.080 9.762 -8.555 1.00 0.00 H new ATOM 0 HB2 LEU A 149 6.145 10.899 -11.158 1.00 0.00 H new ATOM 0 HB3 LEU A 149 4.516 10.278 -10.984 1.00 0.00 H new ATOM 0 HG LEU A 149 4.668 12.605 -10.148 1.00 0.00 H new ATOM 0 HD11 LEU A 149 3.704 12.234 -7.890 1.00 0.00 H new ATOM 0 HD12 LEU A 149 3.062 11.062 -9.066 1.00 0.00 H new ATOM 0 HD13 LEU A 149 4.317 10.563 -7.906 1.00 0.00 H new ATOM 0 HD21 LEU A 149 6.022 13.105 -8.125 1.00 0.00 H new ATOM 0 HD22 LEU A 149 6.659 11.443 -8.145 1.00 0.00 H new ATOM 0 HD23 LEU A 149 7.051 12.563 -9.472 1.00 0.00 H new ATOM 251 N ALA A 150 4.034 8.249 -8.628 1.00 0.00 N ATOM 252 CA ALA A 150 3.013 7.160 -8.564 1.00 0.00 C ATOM 253 C ALA A 150 1.642 7.780 -8.262 1.00 0.00 C ATOM 254 O ALA A 150 1.467 8.974 -8.378 1.00 0.00 O ATOM 255 CB ALA A 150 3.398 6.168 -7.461 1.00 0.00 C ATOM 0 H ALA A 150 3.972 8.941 -7.881 1.00 0.00 H new ATOM 0 HA ALA A 150 2.968 6.631 -9.516 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.655 5.372 -7.412 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.375 5.739 -7.682 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.438 6.687 -6.503 1.00 0.00 H new ATOM 261 N PHE A 151 0.675 6.977 -7.881 1.00 0.00 N ATOM 262 CA PHE A 151 -0.691 7.513 -7.572 1.00 0.00 C ATOM 263 C PHE A 151 -1.443 6.509 -6.679 1.00 0.00 C ATOM 264 O PHE A 151 -1.501 5.343 -6.986 1.00 0.00 O ATOM 265 CB PHE A 151 -1.475 7.684 -8.870 1.00 0.00 C ATOM 266 CG PHE A 151 -0.932 8.831 -9.692 1.00 0.00 C ATOM 267 CD1 PHE A 151 -1.423 10.127 -9.497 1.00 0.00 C ATOM 268 CD2 PHE A 151 0.051 8.596 -10.663 1.00 0.00 C ATOM 269 CE1 PHE A 151 -0.930 11.188 -10.267 1.00 0.00 C ATOM 270 CE2 PHE A 151 0.545 9.657 -11.432 1.00 0.00 C ATOM 271 CZ PHE A 151 0.054 10.952 -11.233 1.00 0.00 C ATOM 0 H PHE A 151 0.774 5.968 -7.770 1.00 0.00 H new ATOM 0 HA PHE A 151 -0.594 8.472 -7.063 1.00 0.00 H new ATOM 0 HB2 PHE A 151 -1.427 6.763 -9.451 1.00 0.00 H new ATOM 0 HB3 PHE A 151 -2.526 7.863 -8.642 1.00 0.00 H new ATOM 0 HD1 PHE A 151 -2.183 10.309 -8.752 1.00 0.00 H new ATOM 0 HD2 PHE A 151 0.428 7.596 -10.818 1.00 0.00 H new ATOM 0 HE1 PHE A 151 -1.309 12.188 -10.115 1.00 0.00 H new ATOM 0 HE2 PHE A 151 1.304 9.476 -12.178 1.00 0.00 H new ATOM 0 HZ PHE A 151 0.435 11.770 -11.826 1.00 0.00 H new ATOM 281 N CYS A 152 -2.005 6.946 -5.573 1.00 0.00 N ATOM 282 CA CYS A 152 -2.736 5.994 -4.658 1.00 0.00 C ATOM 283 C CYS A 152 -4.009 5.424 -5.291 1.00 0.00 C ATOM 284 O CYS A 152 -4.922 6.153 -5.639 1.00 0.00 O ATOM 285 CB CYS A 152 -3.151 6.717 -3.399 1.00 0.00 C ATOM 286 SG CYS A 152 -3.432 5.482 -2.115 1.00 0.00 S ATOM 0 H CYS A 152 -1.991 7.917 -5.262 1.00 0.00 H new ATOM 0 HA CYS A 152 -2.046 5.176 -4.452 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -2.377 7.419 -3.090 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -4.057 7.298 -3.574 1.00 0.00 H new ATOM 0 HG CYS A 152 -2.948 4.338 -2.500 1.00 0.00 H new ATOM 291 N ASP A 153 -4.107 4.115 -5.364 1.00 0.00 N ATOM 292 CA ASP A 153 -5.348 3.479 -5.927 1.00 0.00 C ATOM 293 C ASP A 153 -6.496 3.522 -4.893 1.00 0.00 C ATOM 294 O ASP A 153 -7.598 3.087 -5.161 1.00 0.00 O ATOM 295 CB ASP A 153 -5.040 2.019 -6.296 1.00 0.00 C ATOM 296 CG ASP A 153 -5.152 1.830 -7.811 1.00 0.00 C ATOM 297 OD1 ASP A 153 -4.798 2.749 -8.531 1.00 0.00 O ATOM 298 OD2 ASP A 153 -5.592 0.769 -8.226 1.00 0.00 O ATOM 0 H ASP A 153 -3.386 3.461 -5.060 1.00 0.00 H new ATOM 0 HA ASP A 153 -5.660 4.030 -6.814 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -4.037 1.754 -5.961 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -5.734 1.351 -5.785 1.00 0.00 H new ATOM 303 N ILE A 154 -6.237 4.038 -3.721 1.00 0.00 N ATOM 304 CA ILE A 154 -7.271 4.123 -2.650 1.00 0.00 C ATOM 305 C ILE A 154 -7.773 5.556 -2.545 1.00 0.00 C ATOM 306 O ILE A 154 -8.838 5.807 -2.009 1.00 0.00 O ATOM 307 CB ILE A 154 -6.579 3.742 -1.336 1.00 0.00 C ATOM 308 CG1 ILE A 154 -6.108 2.265 -1.472 1.00 0.00 C ATOM 309 CG2 ILE A 154 -7.492 3.978 -0.100 1.00 0.00 C ATOM 310 CD1 ILE A 154 -7.123 1.282 -0.865 1.00 0.00 C ATOM 0 H ILE A 154 -5.327 4.414 -3.455 1.00 0.00 H new ATOM 0 HA ILE A 154 -8.113 3.466 -2.865 1.00 0.00 H new ATOM 0 HB ILE A 154 -5.717 4.385 -1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -5.957 2.027 -2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.144 2.144 -0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -6.958 3.694 0.807 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -7.765 5.032 -0.045 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -8.395 3.374 -0.194 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -6.756 0.262 -0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -7.254 1.502 0.194 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -8.079 1.384 -1.378 1.00 0.00 H new ATOM 322 N CYS A 155 -6.986 6.501 -2.989 1.00 0.00 N ATOM 323 CA CYS A 155 -7.389 7.915 -2.842 1.00 0.00 C ATOM 324 C CYS A 155 -7.693 8.563 -4.203 1.00 0.00 C ATOM 325 O CYS A 155 -8.794 8.444 -4.695 1.00 0.00 O ATOM 326 CB CYS A 155 -6.265 8.606 -2.101 1.00 0.00 C ATOM 327 SG CYS A 155 -6.159 7.886 -0.444 1.00 0.00 S ATOM 0 H CYS A 155 -6.086 6.348 -3.444 1.00 0.00 H new ATOM 0 HA CYS A 155 -8.318 8.005 -2.280 1.00 0.00 H new ATOM 0 HB2 CYS A 155 -5.322 8.477 -2.633 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -6.452 9.678 -2.039 1.00 0.00 H new ATOM 0 HG CYS A 155 -4.916 7.851 -0.065 1.00 0.00 H new ATOM 332 N GLN A 156 -6.743 9.239 -4.812 1.00 0.00 N ATOM 333 CA GLN A 156 -6.997 9.893 -6.147 1.00 0.00 C ATOM 334 C GLN A 156 -5.834 10.814 -6.569 1.00 0.00 C ATOM 335 O GLN A 156 -5.890 11.408 -7.632 1.00 0.00 O ATOM 336 CB GLN A 156 -8.292 10.736 -6.105 1.00 0.00 C ATOM 337 CG GLN A 156 -9.439 9.985 -6.803 1.00 0.00 C ATOM 338 CD GLN A 156 -10.103 10.897 -7.839 1.00 0.00 C ATOM 339 OE1 GLN A 156 -9.478 11.299 -8.801 1.00 0.00 O ATOM 340 NE2 GLN A 156 -11.351 11.243 -7.683 1.00 0.00 N ATOM 0 H GLN A 156 -5.800 9.368 -4.444 1.00 0.00 H new ATOM 0 HA GLN A 156 -7.093 9.086 -6.874 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -8.563 10.948 -5.071 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -8.126 11.696 -6.594 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -9.056 9.087 -7.288 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -10.174 9.660 -6.067 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -11.877 10.906 -6.876 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -11.801 11.850 -8.368 1.00 0.00 H new ATOM 349 N LYS A 157 -4.793 10.952 -5.779 1.00 0.00 N ATOM 350 CA LYS A 157 -3.671 11.840 -6.178 1.00 0.00 C ATOM 351 C LYS A 157 -2.403 11.002 -6.292 1.00 0.00 C ATOM 352 O LYS A 157 -2.444 9.794 -6.225 1.00 0.00 O ATOM 353 CB LYS A 157 -3.482 12.925 -5.114 1.00 0.00 C ATOM 354 CG LYS A 157 -4.312 14.154 -5.484 1.00 0.00 C ATOM 355 CD LYS A 157 -4.697 14.909 -4.212 1.00 0.00 C ATOM 356 CE LYS A 157 -5.751 15.968 -4.544 1.00 0.00 C ATOM 357 NZ LYS A 157 -5.076 17.210 -5.015 1.00 0.00 N ATOM 0 H LYS A 157 -4.679 10.486 -4.879 1.00 0.00 H new ATOM 0 HA LYS A 157 -3.887 12.313 -7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -3.786 12.548 -4.138 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -2.429 13.194 -5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -3.743 14.805 -6.148 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -5.208 13.852 -6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -5.087 14.214 -3.468 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -3.816 15.381 -3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -6.427 15.595 -5.313 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -6.357 16.182 -3.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -5.792 17.930 -5.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -4.448 17.569 -4.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -4.516 17.000 -5.866 1.00 0.00 H new ATOM 371 N PHE A 158 -1.285 11.638 -6.476 1.00 0.00 N ATOM 372 CA PHE A 158 0.004 10.907 -6.608 1.00 0.00 C ATOM 373 C PHE A 158 0.259 10.022 -5.372 1.00 0.00 C ATOM 374 O PHE A 158 -0.436 10.104 -4.378 1.00 0.00 O ATOM 375 CB PHE A 158 1.125 11.954 -6.712 1.00 0.00 C ATOM 376 CG PHE A 158 1.150 12.754 -5.428 1.00 0.00 C ATOM 377 CD1 PHE A 158 1.889 12.282 -4.339 1.00 0.00 C ATOM 378 CD2 PHE A 158 0.398 13.924 -5.311 1.00 0.00 C ATOM 379 CE1 PHE A 158 1.877 12.980 -3.132 1.00 0.00 C ATOM 380 CE2 PHE A 158 0.392 14.629 -4.107 1.00 0.00 C ATOM 381 CZ PHE A 158 1.129 14.157 -3.013 1.00 0.00 C ATOM 0 H PHE A 158 -1.207 12.653 -6.542 1.00 0.00 H new ATOM 0 HA PHE A 158 -0.026 10.266 -7.489 1.00 0.00 H new ATOM 0 HB2 PHE A 158 2.086 11.466 -6.874 1.00 0.00 H new ATOM 0 HB3 PHE A 158 0.953 12.611 -7.565 1.00 0.00 H new ATOM 0 HD1 PHE A 158 2.470 11.376 -4.433 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -0.178 14.283 -6.151 1.00 0.00 H new ATOM 0 HE1 PHE A 158 2.444 12.613 -2.290 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -0.182 15.540 -4.018 1.00 0.00 H new ATOM 0 HZ PHE A 158 1.120 14.700 -2.080 1.00 0.00 H new ATOM 391 N LEU A 159 1.293 9.222 -5.424 1.00 0.00 N ATOM 392 CA LEU A 159 1.661 8.373 -4.252 1.00 0.00 C ATOM 393 C LEU A 159 3.066 8.780 -3.800 1.00 0.00 C ATOM 394 O LEU A 159 3.945 9.009 -4.610 1.00 0.00 O ATOM 395 CB LEU A 159 1.681 6.884 -4.635 1.00 0.00 C ATOM 396 CG LEU A 159 1.267 6.014 -3.429 1.00 0.00 C ATOM 397 CD1 LEU A 159 2.215 6.234 -2.255 1.00 0.00 C ATOM 398 CD2 LEU A 159 -0.166 6.357 -3.015 1.00 0.00 C ATOM 0 H LEU A 159 1.903 9.120 -6.235 1.00 0.00 H new ATOM 0 HA LEU A 159 0.927 8.517 -3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 159 1.002 6.707 -5.469 1.00 0.00 H new ATOM 0 HB3 LEU A 159 2.679 6.601 -4.970 1.00 0.00 H new ATOM 0 HG LEU A 159 1.319 4.965 -3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 159 1.905 5.611 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 159 3.229 5.966 -2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 159 2.189 7.282 -1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -0.456 5.741 -2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -0.223 7.410 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -0.841 6.164 -3.849 1.00 0.00 H new ATOM 410 N LEU A 160 3.276 8.878 -2.516 1.00 0.00 N ATOM 411 CA LEU A 160 4.603 9.276 -1.993 1.00 0.00 C ATOM 412 C LEU A 160 5.169 8.148 -1.126 1.00 0.00 C ATOM 413 O LEU A 160 4.531 7.135 -0.946 1.00 0.00 O ATOM 414 CB LEU A 160 4.450 10.607 -1.219 1.00 0.00 C ATOM 415 CG LEU A 160 3.925 10.470 0.238 1.00 0.00 C ATOM 416 CD1 LEU A 160 2.755 9.488 0.345 1.00 0.00 C ATOM 417 CD2 LEU A 160 5.057 10.028 1.168 1.00 0.00 C ATOM 0 H LEU A 160 2.571 8.696 -1.801 1.00 0.00 H new ATOM 0 HA LEU A 160 5.313 9.441 -2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 160 5.418 11.107 -1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 160 3.771 11.255 -1.773 1.00 0.00 H new ATOM 0 HG LEU A 160 3.560 11.451 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 160 2.424 9.427 1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 160 1.931 9.834 -0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 160 3.075 8.502 0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 160 4.677 9.936 2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 160 5.445 9.065 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 160 5.857 10.768 1.145 1.00 0.00 H new ATOM 429 N ASN A 161 6.370 8.308 -0.612 1.00 0.00 N ATOM 430 CA ASN A 161 7.006 7.235 0.233 1.00 0.00 C ATOM 431 C ASN A 161 6.021 6.710 1.288 1.00 0.00 C ATOM 432 O ASN A 161 5.916 7.243 2.377 1.00 0.00 O ATOM 433 CB ASN A 161 8.236 7.814 0.935 1.00 0.00 C ATOM 434 CG ASN A 161 8.995 6.690 1.642 1.00 0.00 C ATOM 435 OD1 ASN A 161 9.721 5.944 1.016 1.00 0.00 O ATOM 436 ND2 ASN A 161 8.856 6.535 2.930 1.00 0.00 N ATOM 0 H ASN A 161 6.943 9.142 -0.742 1.00 0.00 H new ATOM 0 HA ASN A 161 7.293 6.406 -0.414 1.00 0.00 H new ATOM 0 HB2 ASN A 161 8.885 8.305 0.210 1.00 0.00 H new ATOM 0 HB3 ASN A 161 7.933 8.573 1.657 1.00 0.00 H new ATOM 0 HD21 ASN A 161 9.357 5.788 3.411 1.00 0.00 H new ATOM 0 HD22 ASN A 161 8.247 7.161 3.456 1.00 0.00 H new ATOM 443 N GLY A 162 5.295 5.674 0.957 1.00 0.00 N ATOM 444 CA GLY A 162 4.300 5.112 1.918 1.00 0.00 C ATOM 445 C GLY A 162 4.337 3.582 1.906 1.00 0.00 C ATOM 446 O GLY A 162 5.062 2.969 2.666 1.00 0.00 O ATOM 0 H GLY A 162 5.349 5.192 0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 162 4.512 5.477 2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 162 3.300 5.458 1.657 1.00 0.00 H new ATOM 450 N PHE A 163 3.544 2.957 1.068 1.00 0.00 N ATOM 451 CA PHE A 163 3.513 1.461 1.031 1.00 0.00 C ATOM 452 C PHE A 163 3.164 0.969 -0.387 1.00 0.00 C ATOM 453 O PHE A 163 2.029 1.090 -0.811 1.00 0.00 O ATOM 454 CB PHE A 163 2.412 0.969 1.975 1.00 0.00 C ATOM 455 CG PHE A 163 2.871 1.056 3.408 1.00 0.00 C ATOM 456 CD1 PHE A 163 3.544 -0.020 3.997 1.00 0.00 C ATOM 457 CD2 PHE A 163 2.608 2.212 4.153 1.00 0.00 C ATOM 458 CE1 PHE A 163 3.956 0.062 5.333 1.00 0.00 C ATOM 459 CE2 PHE A 163 3.022 2.293 5.487 1.00 0.00 C ATOM 460 CZ PHE A 163 3.695 1.218 6.077 1.00 0.00 C ATOM 0 H PHE A 163 2.917 3.419 0.409 1.00 0.00 H new ATOM 0 HA PHE A 163 4.491 1.081 1.326 1.00 0.00 H new ATOM 0 HB2 PHE A 163 1.512 1.568 1.838 1.00 0.00 H new ATOM 0 HB3 PHE A 163 2.149 -0.061 1.732 1.00 0.00 H new ATOM 0 HD1 PHE A 163 3.745 -0.912 3.422 1.00 0.00 H new ATOM 0 HD2 PHE A 163 2.086 3.041 3.698 1.00 0.00 H new ATOM 0 HE1 PHE A 163 4.476 -0.768 5.789 1.00 0.00 H new ATOM 0 HE2 PHE A 163 2.822 3.186 6.061 1.00 0.00 H new ATOM 0 HZ PHE A 163 4.013 1.280 7.107 1.00 0.00 H new ATOM 470 N ARG A 164 4.102 0.407 -1.121 1.00 0.00 N ATOM 471 CA ARG A 164 3.771 -0.089 -2.500 1.00 0.00 C ATOM 472 C ARG A 164 4.093 -1.573 -2.642 1.00 0.00 C ATOM 473 O ARG A 164 5.007 -2.086 -2.029 1.00 0.00 O ATOM 474 CB ARG A 164 4.561 0.666 -3.581 1.00 0.00 C ATOM 475 CG ARG A 164 5.899 1.184 -3.042 1.00 0.00 C ATOM 476 CD ARG A 164 6.912 1.258 -4.184 1.00 0.00 C ATOM 477 NE ARG A 164 7.243 -0.120 -4.642 1.00 0.00 N ATOM 478 CZ ARG A 164 8.438 -0.389 -5.092 1.00 0.00 C ATOM 479 NH1 ARG A 164 9.421 -0.586 -4.257 1.00 0.00 N ATOM 480 NH2 ARG A 164 8.651 -0.457 -6.378 1.00 0.00 N ATOM 0 H ARG A 164 5.070 0.272 -0.829 1.00 0.00 H new ATOM 0 HA ARG A 164 2.703 0.082 -2.637 1.00 0.00 H new ATOM 0 HB2 ARG A 164 4.741 0.006 -4.429 1.00 0.00 H new ATOM 0 HB3 ARG A 164 3.967 1.503 -3.949 1.00 0.00 H new ATOM 0 HG2 ARG A 164 5.766 2.169 -2.594 1.00 0.00 H new ATOM 0 HG3 ARG A 164 6.267 0.524 -2.257 1.00 0.00 H new ATOM 0 HD2 ARG A 164 6.503 1.839 -5.010 1.00 0.00 H new ATOM 0 HD3 ARG A 164 7.815 1.769 -3.851 1.00 0.00 H new ATOM 0 HE ARG A 164 6.535 -0.854 -4.604 1.00 0.00 H new ATOM 0 HH11 ARG A 164 9.256 -0.530 -3.252 1.00 0.00 H new ATOM 0 HH12 ARG A 164 10.355 -0.796 -4.609 1.00 0.00 H new ATOM 0 HH21 ARG A 164 7.883 -0.300 -7.031 1.00 0.00 H new ATOM 0 HH22 ARG A 164 9.585 -0.667 -6.730 1.00 0.00 H new ATOM 494 N CYS A 165 3.359 -2.251 -3.489 1.00 0.00 N ATOM 495 CA CYS A 165 3.613 -3.696 -3.728 1.00 0.00 C ATOM 496 C CYS A 165 4.539 -3.843 -4.931 1.00 0.00 C ATOM 497 O CYS A 165 4.278 -3.300 -5.990 1.00 0.00 O ATOM 498 CB CYS A 165 2.296 -4.413 -4.006 1.00 0.00 C ATOM 499 SG CYS A 165 2.548 -6.202 -3.987 1.00 0.00 S ATOM 0 H CYS A 165 2.588 -1.857 -4.028 1.00 0.00 H new ATOM 0 HA CYS A 165 4.078 -4.137 -2.846 1.00 0.00 H new ATOM 0 HB2 CYS A 165 1.556 -4.134 -3.256 1.00 0.00 H new ATOM 0 HB3 CYS A 165 1.902 -4.104 -4.974 1.00 0.00 H new ATOM 0 HG CYS A 165 1.462 -6.789 -3.579 1.00 0.00 H new ATOM 504 N GLN A 166 5.624 -4.559 -4.766 1.00 0.00 N ATOM 505 CA GLN A 166 6.596 -4.744 -5.878 1.00 0.00 C ATOM 506 C GLN A 166 6.189 -5.923 -6.776 1.00 0.00 C ATOM 507 O GLN A 166 6.946 -6.329 -7.639 1.00 0.00 O ATOM 508 CB GLN A 166 7.971 -5.027 -5.277 1.00 0.00 C ATOM 509 CG GLN A 166 8.473 -3.787 -4.535 1.00 0.00 C ATOM 510 CD GLN A 166 9.824 -4.094 -3.883 1.00 0.00 C ATOM 511 OE1 GLN A 166 10.754 -3.317 -3.991 1.00 0.00 O ATOM 512 NE2 GLN A 166 9.975 -5.199 -3.204 1.00 0.00 N ATOM 0 H GLN A 166 5.877 -5.027 -3.896 1.00 0.00 H new ATOM 0 HA GLN A 166 6.615 -3.839 -6.486 1.00 0.00 H new ATOM 0 HB2 GLN A 166 7.913 -5.874 -4.593 1.00 0.00 H new ATOM 0 HB3 GLN A 166 8.673 -5.301 -6.064 1.00 0.00 H new ATOM 0 HG2 GLN A 166 8.573 -2.951 -5.228 1.00 0.00 H new ATOM 0 HG3 GLN A 166 7.751 -3.487 -3.776 1.00 0.00 H new ATOM 0 HE21 GLN A 166 9.197 -5.852 -3.112 1.00 0.00 H new ATOM 0 HE22 GLN A 166 10.871 -5.410 -2.765 1.00 0.00 H new ATOM 521 N THR A 167 5.011 -6.473 -6.593 1.00 0.00 N ATOM 522 CA THR A 167 4.578 -7.616 -7.451 1.00 0.00 C ATOM 523 C THR A 167 3.378 -7.178 -8.291 1.00 0.00 C ATOM 524 O THR A 167 3.343 -7.390 -9.489 1.00 0.00 O ATOM 525 CB THR A 167 4.189 -8.821 -6.579 1.00 0.00 C ATOM 526 OG1 THR A 167 3.981 -8.399 -5.239 1.00 0.00 O ATOM 527 CG2 THR A 167 5.307 -9.866 -6.612 1.00 0.00 C ATOM 0 H THR A 167 4.335 -6.179 -5.888 1.00 0.00 H new ATOM 0 HA THR A 167 5.401 -7.911 -8.102 1.00 0.00 H new ATOM 0 HB THR A 167 3.270 -9.258 -6.969 1.00 0.00 H new ATOM 0 HG1 THR A 167 3.217 -7.786 -5.204 1.00 0.00 H new ATOM 0 HG21 THR A 167 5.027 -10.718 -5.993 1.00 0.00 H new ATOM 0 HG22 THR A 167 5.464 -10.199 -7.638 1.00 0.00 H new ATOM 0 HG23 THR A 167 6.228 -9.426 -6.229 1.00 0.00 H new ATOM 535 N CYS A 168 2.401 -6.556 -7.675 1.00 0.00 N ATOM 536 CA CYS A 168 1.213 -6.094 -8.448 1.00 0.00 C ATOM 537 C CYS A 168 1.341 -4.593 -8.756 1.00 0.00 C ATOM 538 O CYS A 168 0.635 -4.075 -9.603 1.00 0.00 O ATOM 539 CB CYS A 168 -0.081 -6.380 -7.664 1.00 0.00 C ATOM 540 SG CYS A 168 -0.092 -5.480 -6.090 1.00 0.00 S ATOM 0 H CYS A 168 2.378 -6.351 -6.676 1.00 0.00 H new ATOM 0 HA CYS A 168 1.168 -6.641 -9.390 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -0.945 -6.088 -8.261 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -0.169 -7.450 -7.477 1.00 0.00 H new ATOM 0 HG CYS A 168 0.826 -5.964 -5.307 1.00 0.00 H new ATOM 545 N GLY A 169 2.230 -3.887 -8.084 1.00 0.00 N ATOM 546 CA GLY A 169 2.384 -2.431 -8.358 1.00 0.00 C ATOM 547 C GLY A 169 1.313 -1.672 -7.588 1.00 0.00 C ATOM 548 O GLY A 169 0.424 -1.081 -8.170 1.00 0.00 O ATOM 0 H GLY A 169 2.848 -4.262 -7.364 1.00 0.00 H new ATOM 0 HA2 GLY A 169 3.376 -2.093 -8.058 1.00 0.00 H new ATOM 0 HA3 GLY A 169 2.291 -2.236 -9.426 1.00 0.00 H new ATOM 552 N TYR A 170 1.386 -1.696 -6.283 1.00 0.00 N ATOM 553 CA TYR A 170 0.360 -0.981 -5.465 1.00 0.00 C ATOM 554 C TYR A 170 0.921 0.357 -4.978 1.00 0.00 C ATOM 555 O TYR A 170 2.105 0.500 -4.758 1.00 0.00 O ATOM 556 CB TYR A 170 -0.043 -1.852 -4.262 1.00 0.00 C ATOM 557 CG TYR A 170 -1.490 -2.293 -4.383 1.00 0.00 C ATOM 558 CD1 TYR A 170 -1.991 -2.768 -5.606 1.00 0.00 C ATOM 559 CD2 TYR A 170 -2.330 -2.230 -3.267 1.00 0.00 C ATOM 560 CE1 TYR A 170 -3.327 -3.173 -5.705 1.00 0.00 C ATOM 561 CE2 TYR A 170 -3.666 -2.635 -3.366 1.00 0.00 C ATOM 562 CZ TYR A 170 -4.165 -3.106 -4.587 1.00 0.00 C ATOM 563 OH TYR A 170 -5.482 -3.504 -4.686 1.00 0.00 O ATOM 0 H TYR A 170 2.109 -2.178 -5.749 1.00 0.00 H new ATOM 0 HA TYR A 170 -0.520 -0.792 -6.080 1.00 0.00 H new ATOM 0 HB2 TYR A 170 0.606 -2.726 -4.205 1.00 0.00 H new ATOM 0 HB3 TYR A 170 0.096 -1.292 -3.338 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -1.345 -2.821 -6.470 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -1.946 -1.867 -2.325 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -3.712 -3.538 -6.646 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -4.312 -2.584 -2.502 1.00 0.00 H new ATOM 0 HH TYR A 170 -5.923 -3.394 -3.818 1.00 0.00 H new ATOM 573 N LYS A 171 0.054 1.322 -4.806 1.00 0.00 N ATOM 574 CA LYS A 171 0.464 2.685 -4.323 1.00 0.00 C ATOM 575 C LYS A 171 -0.495 3.030 -3.175 1.00 0.00 C ATOM 576 O LYS A 171 -1.672 3.237 -3.400 1.00 0.00 O ATOM 577 CB LYS A 171 0.342 3.745 -5.459 1.00 0.00 C ATOM 578 CG LYS A 171 0.062 3.099 -6.822 1.00 0.00 C ATOM 579 CD LYS A 171 -1.399 2.632 -6.876 1.00 0.00 C ATOM 580 CE LYS A 171 -1.468 1.195 -7.386 1.00 0.00 C ATOM 581 NZ LYS A 171 -1.920 1.191 -8.807 1.00 0.00 N ATOM 0 H LYS A 171 -0.946 1.224 -4.983 1.00 0.00 H new ATOM 0 HA LYS A 171 1.505 2.687 -4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 171 -0.459 4.444 -5.218 1.00 0.00 H new ATOM 0 HB3 LYS A 171 1.264 4.324 -5.515 1.00 0.00 H new ATOM 0 HG2 LYS A 171 0.256 3.813 -7.622 1.00 0.00 H new ATOM 0 HG3 LYS A 171 0.731 2.253 -6.980 1.00 0.00 H new ATOM 0 HD2 LYS A 171 -1.847 2.697 -5.885 1.00 0.00 H new ATOM 0 HD3 LYS A 171 -1.975 3.287 -7.530 1.00 0.00 H new ATOM 0 HE2 LYS A 171 -0.490 0.722 -7.303 1.00 0.00 H new ATOM 0 HE3 LYS A 171 -2.156 0.613 -6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 -2.226 0.233 -9.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 -2.715 1.852 -8.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 -1.135 1.485 -9.422 1.00 0.00 H new ATOM 595 N PHE A 172 -0.034 2.999 -1.942 1.00 0.00 N ATOM 596 CA PHE A 172 -0.971 3.208 -0.781 1.00 0.00 C ATOM 597 C PHE A 172 -0.443 4.213 0.287 1.00 0.00 C ATOM 598 O PHE A 172 0.711 4.172 0.666 1.00 0.00 O ATOM 599 CB PHE A 172 -1.056 1.840 -0.082 1.00 0.00 C ATOM 600 CG PHE A 172 -2.277 1.033 -0.448 1.00 0.00 C ATOM 601 CD1 PHE A 172 -2.672 0.861 -1.777 1.00 0.00 C ATOM 602 CD2 PHE A 172 -2.991 0.409 0.574 1.00 0.00 C ATOM 603 CE1 PHE A 172 -3.780 0.070 -2.077 1.00 0.00 C ATOM 604 CE2 PHE A 172 -4.100 -0.377 0.279 1.00 0.00 C ATOM 605 CZ PHE A 172 -4.495 -0.549 -1.049 1.00 0.00 C ATOM 0 H PHE A 172 0.941 2.840 -1.689 1.00 0.00 H new ATOM 0 HA PHE A 172 -1.911 3.606 -1.164 1.00 0.00 H new ATOM 0 HB2 PHE A 172 -0.165 1.262 -0.329 1.00 0.00 H new ATOM 0 HB3 PHE A 172 -1.047 1.995 0.997 1.00 0.00 H new ATOM 0 HD1 PHE A 172 -2.119 1.341 -2.571 1.00 0.00 H new ATOM 0 HD2 PHE A 172 -2.681 0.537 1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 172 -4.086 -0.064 -3.104 1.00 0.00 H new ATOM 0 HE2 PHE A 172 -4.654 -0.853 1.075 1.00 0.00 H new ATOM 0 HZ PHE A 172 -5.354 -1.161 -1.282 1.00 0.00 H new ATOM 615 N HIS A 173 -1.314 5.052 0.839 1.00 0.00 N ATOM 616 CA HIS A 173 -0.898 5.976 1.951 1.00 0.00 C ATOM 617 C HIS A 173 -1.243 5.306 3.311 1.00 0.00 C ATOM 618 O HIS A 173 -1.405 4.103 3.393 1.00 0.00 O ATOM 619 CB HIS A 173 -1.690 7.283 1.900 1.00 0.00 C ATOM 620 CG HIS A 173 -1.806 7.841 0.548 1.00 0.00 C ATOM 621 ND1 HIS A 173 -3.049 8.026 -0.050 1.00 0.00 N ATOM 622 CD2 HIS A 173 -0.889 8.399 -0.264 1.00 0.00 C ATOM 623 CE1 HIS A 173 -2.816 8.705 -1.181 1.00 0.00 C ATOM 624 NE2 HIS A 173 -1.511 8.949 -1.351 1.00 0.00 N ATOM 0 H HIS A 173 -2.292 5.130 0.562 1.00 0.00 H new ATOM 0 HA HIS A 173 0.168 6.176 1.844 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -2.689 7.110 2.301 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -1.209 8.016 2.548 1.00 0.00 H new ATOM 0 HD2 HIS A 173 0.176 8.411 -0.085 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -3.586 9.017 -1.871 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -1.072 9.442 -2.129 1.00 0.00 H new ATOM 632 N GLU A 174 -1.410 6.094 4.369 1.00 0.00 N ATOM 633 CA GLU A 174 -1.802 5.529 5.700 1.00 0.00 C ATOM 634 C GLU A 174 -3.332 5.330 5.727 1.00 0.00 C ATOM 635 O GLU A 174 -3.847 4.509 6.461 1.00 0.00 O ATOM 636 CB GLU A 174 -1.396 6.503 6.810 1.00 0.00 C ATOM 637 CG GLU A 174 0.085 6.882 6.661 1.00 0.00 C ATOM 638 CD GLU A 174 0.215 8.392 6.449 1.00 0.00 C ATOM 639 OE1 GLU A 174 -0.066 9.128 7.380 1.00 0.00 O ATOM 640 OE2 GLU A 174 0.590 8.787 5.358 1.00 0.00 O ATOM 0 H GLU A 174 -1.288 7.107 4.355 1.00 0.00 H new ATOM 0 HA GLU A 174 -1.300 4.574 5.858 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -2.015 7.399 6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -1.567 6.047 7.785 1.00 0.00 H new ATOM 0 HG2 GLU A 174 0.638 6.582 7.551 1.00 0.00 H new ATOM 0 HG3 GLU A 174 0.523 6.348 5.818 1.00 0.00 H new ATOM 647 N HIS A 175 -4.055 6.053 4.894 1.00 0.00 N ATOM 648 CA HIS A 175 -5.550 5.896 4.815 1.00 0.00 C ATOM 649 C HIS A 175 -5.907 4.559 4.190 1.00 0.00 C ATOM 650 O HIS A 175 -7.071 4.245 4.015 1.00 0.00 O ATOM 651 CB HIS A 175 -6.106 6.941 3.836 1.00 0.00 C ATOM 652 CG HIS A 175 -6.345 8.244 4.547 1.00 0.00 C ATOM 653 ND1 HIS A 175 -5.440 8.761 5.489 1.00 0.00 N ATOM 654 CD2 HIS A 175 -7.373 9.147 4.476 1.00 0.00 C ATOM 655 CE1 HIS A 175 -5.962 9.923 5.924 1.00 0.00 C ATOM 656 NE2 HIS A 175 -7.133 10.190 5.333 1.00 0.00 N ATOM 0 H HIS A 175 -3.668 6.752 4.260 1.00 0.00 H new ATOM 0 HA HIS A 175 -5.951 5.993 5.824 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -5.405 7.090 3.015 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -7.037 6.581 3.399 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -8.241 9.052 3.841 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -5.494 10.561 6.659 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -7.727 11.005 5.489 1.00 0.00 H new ATOM 664 N CYS A 176 -4.931 3.850 3.712 1.00 0.00 N ATOM 665 CA CYS A 176 -5.207 2.647 2.942 1.00 0.00 C ATOM 666 C CYS A 176 -4.478 1.450 3.549 1.00 0.00 C ATOM 667 O CYS A 176 -3.266 1.364 3.543 1.00 0.00 O ATOM 668 CB CYS A 176 -4.738 2.976 1.506 1.00 0.00 C ATOM 669 SG CYS A 176 -4.784 4.815 1.244 1.00 0.00 S ATOM 0 H CYS A 176 -3.942 4.069 3.832 1.00 0.00 H new ATOM 0 HA CYS A 176 -6.261 2.369 2.944 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -3.727 2.601 1.347 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -5.380 2.478 0.779 1.00 0.00 H new ATOM 0 HG CYS A 176 -4.292 5.099 0.075 1.00 0.00 H new ATOM 674 N SER A 177 -5.235 0.533 4.097 1.00 0.00 N ATOM 675 CA SER A 177 -4.645 -0.678 4.740 1.00 0.00 C ATOM 676 C SER A 177 -5.782 -1.495 5.360 1.00 0.00 C ATOM 677 O SER A 177 -5.810 -2.706 5.272 1.00 0.00 O ATOM 678 CB SER A 177 -3.659 -0.265 5.834 1.00 0.00 C ATOM 679 OG SER A 177 -3.355 -1.395 6.642 1.00 0.00 O ATOM 0 H SER A 177 -6.254 0.574 4.126 1.00 0.00 H new ATOM 0 HA SER A 177 -4.112 -1.270 3.995 1.00 0.00 H new ATOM 0 HB2 SER A 177 -2.748 0.133 5.387 1.00 0.00 H new ATOM 0 HB3 SER A 177 -4.088 0.529 6.445 1.00 0.00 H new ATOM 0 HG SER A 177 -2.722 -1.135 7.344 1.00 0.00 H new ATOM 685 N THR A 178 -6.725 -0.827 5.981 1.00 0.00 N ATOM 686 CA THR A 178 -7.876 -1.545 6.606 1.00 0.00 C ATOM 687 C THR A 178 -9.142 -1.301 5.773 1.00 0.00 C ATOM 688 O THR A 178 -10.245 -1.329 6.282 1.00 0.00 O ATOM 689 CB THR A 178 -8.097 -1.023 8.028 1.00 0.00 C ATOM 690 OG1 THR A 178 -8.453 0.353 7.975 1.00 0.00 O ATOM 691 CG2 THR A 178 -6.811 -1.186 8.842 1.00 0.00 C ATOM 0 H THR A 178 -6.745 0.188 6.081 1.00 0.00 H new ATOM 0 HA THR A 178 -7.660 -2.613 6.641 1.00 0.00 H new ATOM 0 HB THR A 178 -8.898 -1.590 8.502 1.00 0.00 H new ATOM 0 HG1 THR A 178 -8.597 0.689 8.884 1.00 0.00 H new ATOM 0 HG21 THR A 178 -6.971 -0.814 9.854 1.00 0.00 H new ATOM 0 HG22 THR A 178 -6.537 -2.240 8.882 1.00 0.00 H new ATOM 0 HG23 THR A 178 -6.008 -0.620 8.370 1.00 0.00 H new ATOM 699 N LYS A 179 -8.982 -1.062 4.495 1.00 0.00 N ATOM 700 CA LYS A 179 -10.162 -0.814 3.614 1.00 0.00 C ATOM 701 C LYS A 179 -10.015 -1.641 2.334 1.00 0.00 C ATOM 702 O LYS A 179 -10.952 -2.260 1.872 1.00 0.00 O ATOM 703 CB LYS A 179 -10.225 0.678 3.258 1.00 0.00 C ATOM 704 CG LYS A 179 -11.447 0.957 2.375 1.00 0.00 C ATOM 705 CD LYS A 179 -12.719 0.893 3.223 1.00 0.00 C ATOM 706 CE LYS A 179 -13.122 2.305 3.652 1.00 0.00 C ATOM 707 NZ LYS A 179 -14.272 2.229 4.598 1.00 0.00 N ATOM 0 H LYS A 179 -8.079 -1.028 4.023 1.00 0.00 H new ATOM 0 HA LYS A 179 -11.077 -1.102 4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -10.280 1.275 4.168 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -9.315 0.974 2.737 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -11.356 1.939 1.911 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -11.499 0.227 1.568 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -13.525 0.431 2.653 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -12.552 0.269 4.101 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -12.279 2.806 4.127 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -13.394 2.898 2.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -14.546 3.189 4.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -15.077 1.767 4.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -13.996 1.678 5.436 1.00 0.00 H new ATOM 721 N VAL A 180 -8.837 -1.647 1.758 1.00 0.00 N ATOM 722 CA VAL A 180 -8.596 -2.420 0.499 1.00 0.00 C ATOM 723 C VAL A 180 -9.091 -3.885 0.659 1.00 0.00 C ATOM 724 O VAL A 180 -8.480 -4.654 1.374 1.00 0.00 O ATOM 725 CB VAL A 180 -7.089 -2.391 0.201 1.00 0.00 C ATOM 726 CG1 VAL A 180 -6.308 -3.000 1.370 1.00 0.00 C ATOM 727 CG2 VAL A 180 -6.790 -3.174 -1.080 1.00 0.00 C ATOM 0 H VAL A 180 -8.023 -1.143 2.111 1.00 0.00 H new ATOM 0 HA VAL A 180 -9.148 -1.972 -0.327 1.00 0.00 H new ATOM 0 HB VAL A 180 -6.781 -1.354 0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -5.241 -2.974 1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -6.504 -2.427 2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -6.623 -4.033 1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -5.719 -3.147 -1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -7.110 -4.209 -0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -7.328 -2.725 -1.915 1.00 0.00 H new