USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=8 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= -0.0317 (180deg=0) USER MOD Set 1.2: A 166 GLN : amide:sc= -0.0413 K(o=-0.073,f=-1.4!) USER MOD Set 2.1: A 137 THR OG1 : rot 180:sc= -0.0887 USER MOD Set 2.2: A 138 THR OG1 : rot 180:sc= -0.0367 USER MOD Single : A 140 ASN : amide:sc= 0.0129 X(o=0.013,f=-0.42) USER MOD Single : A 145 THR OG1 : rot 180:sc= 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 161 ASN : amide:sc= -1.16 K(o=-1.2,f=-2.6!) USER MOD Single : A 167 THR OG1 : rot 75:sc= 1.23 USER MOD Single : A 170 TYR OH : rot 47:sc= 0.00226 USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 HIS : no HD1:sc= -0.0863 X(o=-0.086,f=-0.01) USER MOD Single : A 177 SER OG : rot 180:sc= -0.195 USER MOD Single : A 178 THR OG1 : rot -10:sc= 0.411 USER MOD Single : A 179 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 THR OG1 : rot 180:sc= 0.0767 USER MOD Single : A 183 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 136 -3.131 -13.093 5.124 1.00 0.00 N ATOM 2 CA LEU A 136 -2.495 -11.973 4.375 1.00 0.00 C ATOM 3 C LEU A 136 -1.519 -12.542 3.342 1.00 0.00 C ATOM 4 O LEU A 136 -0.440 -12.019 3.138 1.00 0.00 O ATOM 5 CB LEU A 136 -1.741 -11.068 5.355 1.00 0.00 C ATOM 6 CG LEU A 136 -2.636 -9.895 5.759 1.00 0.00 C ATOM 7 CD1 LEU A 136 -2.228 -9.396 7.145 1.00 0.00 C ATOM 8 CD2 LEU A 136 -2.479 -8.763 4.741 1.00 0.00 C ATOM 0 HA LEU A 136 -3.262 -11.391 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -1.447 -11.636 6.238 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -0.825 -10.698 4.894 1.00 0.00 H new ATOM 0 HG LEU A 136 -3.676 -10.221 5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -2.866 -8.560 7.433 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -2.338 -10.203 7.869 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -1.189 -9.068 7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -3.116 -7.926 5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -1.439 -8.436 4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -2.770 -9.119 3.753 1.00 0.00 H new ATOM 22 N THR A 137 -1.897 -13.611 2.688 1.00 0.00 N ATOM 23 CA THR A 137 -1.001 -14.224 1.664 1.00 0.00 C ATOM 24 C THR A 137 -1.272 -13.587 0.301 1.00 0.00 C ATOM 25 O THR A 137 -2.322 -13.019 0.069 1.00 0.00 O ATOM 26 CB THR A 137 -1.266 -15.729 1.585 1.00 0.00 C ATOM 27 OG1 THR A 137 -0.514 -16.281 0.511 1.00 0.00 O ATOM 28 CG2 THR A 137 -2.756 -15.979 1.347 1.00 0.00 C ATOM 0 H THR A 137 -2.790 -14.086 2.820 1.00 0.00 H new ATOM 0 HA THR A 137 0.038 -14.053 1.945 1.00 0.00 H new ATOM 0 HB THR A 137 -0.969 -16.200 2.522 1.00 0.00 H new ATOM 0 HG1 THR A 137 -0.679 -17.245 0.458 1.00 0.00 H new ATOM 0 HG21 THR A 137 -2.941 -17.052 1.291 1.00 0.00 H new ATOM 0 HG22 THR A 137 -3.332 -15.554 2.169 1.00 0.00 H new ATOM 0 HG23 THR A 137 -3.059 -15.510 0.411 1.00 0.00 H new ATOM 36 N THR A 138 -0.329 -13.681 -0.601 1.00 0.00 N ATOM 37 CA THR A 138 -0.511 -13.088 -1.959 1.00 0.00 C ATOM 38 C THR A 138 -0.684 -11.565 -1.851 1.00 0.00 C ATOM 39 O THR A 138 -1.715 -11.031 -2.194 1.00 0.00 O ATOM 40 CB THR A 138 -1.743 -13.708 -2.637 1.00 0.00 C ATOM 41 OG1 THR A 138 -1.866 -15.067 -2.235 1.00 0.00 O ATOM 42 CG2 THR A 138 -1.581 -13.637 -4.157 1.00 0.00 C ATOM 0 H THR A 138 0.566 -14.147 -0.453 1.00 0.00 H new ATOM 0 HA THR A 138 0.373 -13.301 -2.560 1.00 0.00 H new ATOM 0 HB THR A 138 -2.637 -13.158 -2.344 1.00 0.00 H new ATOM 0 HG1 THR A 138 -2.652 -15.465 -2.664 1.00 0.00 H new ATOM 0 HG21 THR A 138 -2.455 -14.077 -4.637 1.00 0.00 H new ATOM 0 HG22 THR A 138 -1.484 -12.596 -4.464 1.00 0.00 H new ATOM 0 HG23 THR A 138 -0.688 -14.188 -4.454 1.00 0.00 H new ATOM 50 N HIS A 139 0.347 -10.886 -1.394 1.00 0.00 N ATOM 51 CA HIS A 139 0.344 -9.384 -1.255 1.00 0.00 C ATOM 52 C HIS A 139 1.571 -8.998 -0.455 1.00 0.00 C ATOM 53 O HIS A 139 2.172 -9.813 0.220 1.00 0.00 O ATOM 54 CB HIS A 139 -0.925 -8.857 -0.552 1.00 0.00 C ATOM 55 CG HIS A 139 -1.230 -7.399 -0.913 1.00 0.00 C ATOM 56 ND1 HIS A 139 -0.649 -6.688 -2.010 1.00 0.00 N ATOM 57 CD2 HIS A 139 -2.070 -6.500 -0.305 1.00 0.00 C ATOM 58 CE1 HIS A 139 -1.170 -5.448 -1.971 1.00 0.00 C ATOM 59 NE2 HIS A 139 -2.030 -5.296 -0.960 1.00 0.00 N ATOM 0 H HIS A 139 1.220 -11.324 -1.101 1.00 0.00 H new ATOM 0 HA HIS A 139 0.355 -8.938 -2.250 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.775 -9.482 -0.826 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -0.801 -8.943 0.528 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -2.675 -6.711 0.564 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -0.922 -4.667 -2.675 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -2.553 -4.453 -0.723 1.00 0.00 H new ATOM 67 N ASN A 140 1.965 -7.770 -0.563 1.00 0.00 N ATOM 68 CA ASN A 140 3.194 -7.315 0.155 1.00 0.00 C ATOM 69 C ASN A 140 3.054 -5.874 0.646 1.00 0.00 C ATOM 70 O ASN A 140 2.144 -5.157 0.278 1.00 0.00 O ATOM 71 CB ASN A 140 4.388 -7.400 -0.801 1.00 0.00 C ATOM 72 CG ASN A 140 5.647 -7.782 -0.015 1.00 0.00 C ATOM 73 OD1 ASN A 140 6.391 -6.924 0.417 1.00 0.00 O ATOM 74 ND2 ASN A 140 5.916 -9.042 0.190 1.00 0.00 N ATOM 0 H ASN A 140 1.494 -7.054 -1.116 1.00 0.00 H new ATOM 0 HA ASN A 140 3.343 -7.959 1.021 1.00 0.00 H new ATOM 0 HB2 ASN A 140 4.193 -8.139 -1.578 1.00 0.00 H new ATOM 0 HB3 ASN A 140 4.535 -6.443 -1.301 1.00 0.00 H new ATOM 0 HD21 ASN A 140 6.751 -9.307 0.713 1.00 0.00 H new ATOM 0 HD22 ASN A 140 5.291 -9.762 -0.173 1.00 0.00 H new ATOM 81 N PHE A 141 3.973 -5.454 1.480 1.00 0.00 N ATOM 82 CA PHE A 141 3.945 -4.065 2.018 1.00 0.00 C ATOM 83 C PHE A 141 5.364 -3.667 2.430 1.00 0.00 C ATOM 84 O PHE A 141 5.974 -4.307 3.267 1.00 0.00 O ATOM 85 CB PHE A 141 3.037 -3.997 3.247 1.00 0.00 C ATOM 86 CG PHE A 141 1.649 -4.479 2.899 1.00 0.00 C ATOM 87 CD1 PHE A 141 0.694 -3.574 2.422 1.00 0.00 C ATOM 88 CD2 PHE A 141 1.313 -5.828 3.071 1.00 0.00 C ATOM 89 CE1 PHE A 141 -0.598 -4.017 2.116 1.00 0.00 C ATOM 90 CE2 PHE A 141 0.020 -6.269 2.769 1.00 0.00 C ATOM 91 CZ PHE A 141 -0.935 -5.363 2.291 1.00 0.00 C ATOM 0 H PHE A 141 4.750 -6.025 1.813 1.00 0.00 H new ATOM 0 HA PHE A 141 3.565 -3.389 1.252 1.00 0.00 H new ATOM 0 HB2 PHE A 141 3.452 -4.608 4.048 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.992 -2.973 3.618 1.00 0.00 H new ATOM 0 HD1 PHE A 141 0.954 -2.534 2.290 1.00 0.00 H new ATOM 0 HD2 PHE A 141 2.051 -6.527 3.436 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.334 -3.320 1.745 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.242 -7.308 2.904 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.933 -5.704 2.057 1.00 0.00 H new ATOM 101 N ALA A 142 5.891 -2.619 1.854 1.00 0.00 N ATOM 102 CA ALA A 142 7.271 -2.179 2.214 1.00 0.00 C ATOM 103 C ALA A 142 7.328 -0.652 2.224 1.00 0.00 C ATOM 104 O ALA A 142 7.019 -0.008 1.239 1.00 0.00 O ATOM 105 CB ALA A 142 8.264 -2.719 1.185 1.00 0.00 C ATOM 0 H ALA A 142 5.425 -2.048 1.149 1.00 0.00 H new ATOM 0 HA ALA A 142 7.530 -2.561 3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 142 9.272 -2.397 1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 142 8.222 -3.808 1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 142 8.008 -2.337 0.197 1.00 0.00 H new ATOM 111 N ARG A 143 7.721 -0.069 3.330 1.00 0.00 N ATOM 112 CA ARG A 143 7.802 1.419 3.410 1.00 0.00 C ATOM 113 C ARG A 143 8.969 1.907 2.549 1.00 0.00 C ATOM 114 O ARG A 143 10.083 2.043 3.019 1.00 0.00 O ATOM 115 CB ARG A 143 8.023 1.850 4.864 1.00 0.00 C ATOM 116 CG ARG A 143 9.209 1.078 5.467 1.00 0.00 C ATOM 117 CD ARG A 143 8.704 0.065 6.503 1.00 0.00 C ATOM 118 NE ARG A 143 9.588 0.102 7.703 1.00 0.00 N ATOM 119 CZ ARG A 143 9.115 -0.227 8.874 1.00 0.00 C ATOM 120 NH1 ARG A 143 8.276 0.562 9.486 1.00 0.00 N ATOM 121 NH2 ARG A 143 9.483 -1.348 9.435 1.00 0.00 N ATOM 0 H ARG A 143 7.989 -0.562 4.182 1.00 0.00 H new ATOM 0 HA ARG A 143 6.870 1.853 3.047 1.00 0.00 H new ATOM 0 HB2 ARG A 143 8.216 2.922 4.909 1.00 0.00 H new ATOM 0 HB3 ARG A 143 7.122 1.663 5.448 1.00 0.00 H new ATOM 0 HG2 ARG A 143 9.756 0.562 4.678 1.00 0.00 H new ATOM 0 HG3 ARG A 143 9.906 1.773 5.936 1.00 0.00 H new ATOM 0 HD2 ARG A 143 7.678 0.299 6.786 1.00 0.00 H new ATOM 0 HD3 ARG A 143 8.696 -0.937 6.074 1.00 0.00 H new ATOM 0 HE ARG A 143 10.563 0.385 7.609 1.00 0.00 H new ATOM 0 HH11 ARG A 143 7.988 1.438 9.049 1.00 0.00 H new ATOM 0 HH12 ARG A 143 7.907 0.303 10.401 1.00 0.00 H new ATOM 0 HH21 ARG A 143 10.140 -1.966 8.958 1.00 0.00 H new ATOM 0 HH22 ARG A 143 9.114 -1.606 10.350 1.00 0.00 H new ATOM 135 N LYS A 144 8.721 2.164 1.292 1.00 0.00 N ATOM 136 CA LYS A 144 9.809 2.637 0.386 1.00 0.00 C ATOM 137 C LYS A 144 9.190 3.382 -0.800 1.00 0.00 C ATOM 138 O LYS A 144 7.985 3.402 -0.967 1.00 0.00 O ATOM 139 CB LYS A 144 10.637 1.443 -0.124 1.00 0.00 C ATOM 140 CG LYS A 144 9.726 0.241 -0.417 1.00 0.00 C ATOM 141 CD LYS A 144 10.191 -0.465 -1.692 1.00 0.00 C ATOM 142 CE LYS A 144 11.522 -1.173 -1.433 1.00 0.00 C ATOM 143 NZ LYS A 144 11.571 -2.441 -2.216 1.00 0.00 N ATOM 0 H LYS A 144 7.806 2.066 0.851 1.00 0.00 H new ATOM 0 HA LYS A 144 10.468 3.307 0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 144 11.176 1.727 -1.028 1.00 0.00 H new ATOM 0 HB3 LYS A 144 11.384 1.167 0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 144 9.745 -0.454 0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 144 8.694 0.574 -0.531 1.00 0.00 H new ATOM 0 HD2 LYS A 144 9.441 -1.187 -2.014 1.00 0.00 H new ATOM 0 HD3 LYS A 144 10.304 0.259 -2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 144 12.352 -0.526 -1.717 1.00 0.00 H new ATOM 0 HE3 LYS A 144 11.632 -1.385 -0.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 12.476 -2.923 -2.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 10.787 -3.059 -1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 11.484 -2.226 -3.230 1.00 0.00 H new ATOM 157 N THR A 145 10.004 4.007 -1.613 1.00 0.00 N ATOM 158 CA THR A 145 9.471 4.764 -2.778 1.00 0.00 C ATOM 159 C THR A 145 9.146 3.813 -3.925 1.00 0.00 C ATOM 160 O THR A 145 9.646 2.705 -3.993 1.00 0.00 O ATOM 161 CB THR A 145 10.528 5.759 -3.256 1.00 0.00 C ATOM 162 OG1 THR A 145 11.659 5.050 -3.739 1.00 0.00 O ATOM 163 CG2 THR A 145 10.949 6.672 -2.105 1.00 0.00 C ATOM 0 H THR A 145 11.019 4.023 -1.516 1.00 0.00 H new ATOM 0 HA THR A 145 8.564 5.286 -2.472 1.00 0.00 H new ATOM 0 HB THR A 145 10.108 6.369 -4.056 1.00 0.00 H new ATOM 0 HG1 THR A 145 12.337 5.687 -4.048 1.00 0.00 H new ATOM 0 HG21 THR A 145 11.702 7.377 -2.457 1.00 0.00 H new ATOM 0 HG22 THR A 145 10.081 7.221 -1.740 1.00 0.00 H new ATOM 0 HG23 THR A 145 11.364 6.070 -1.297 1.00 0.00 H new ATOM 171 N PHE A 146 8.321 4.253 -4.838 1.00 0.00 N ATOM 172 CA PHE A 146 7.970 3.385 -6.013 1.00 0.00 C ATOM 173 C PHE A 146 8.852 3.782 -7.203 1.00 0.00 C ATOM 174 O PHE A 146 9.816 3.111 -7.514 1.00 0.00 O ATOM 175 CB PHE A 146 6.479 3.512 -6.418 1.00 0.00 C ATOM 176 CG PHE A 146 5.621 3.977 -5.263 1.00 0.00 C ATOM 177 CD1 PHE A 146 5.491 5.343 -4.995 1.00 0.00 C ATOM 178 CD2 PHE A 146 4.957 3.041 -4.470 1.00 0.00 C ATOM 179 CE1 PHE A 146 4.696 5.771 -3.928 1.00 0.00 C ATOM 180 CE2 PHE A 146 4.160 3.467 -3.400 1.00 0.00 C ATOM 181 CZ PHE A 146 4.031 4.831 -3.129 1.00 0.00 C ATOM 0 H PHE A 146 7.874 5.170 -4.826 1.00 0.00 H new ATOM 0 HA PHE A 146 8.143 2.348 -5.725 1.00 0.00 H new ATOM 0 HB2 PHE A 146 6.386 4.215 -7.246 1.00 0.00 H new ATOM 0 HB3 PHE A 146 6.116 2.548 -6.775 1.00 0.00 H new ATOM 0 HD1 PHE A 146 6.004 6.066 -5.611 1.00 0.00 H new ATOM 0 HD2 PHE A 146 5.058 1.987 -4.681 1.00 0.00 H new ATOM 0 HE1 PHE A 146 4.594 6.826 -3.719 1.00 0.00 H new ATOM 0 HE2 PHE A 146 3.646 2.742 -2.786 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.418 5.162 -2.303 1.00 0.00 H new ATOM 191 N LEU A 147 8.538 4.877 -7.856 1.00 0.00 N ATOM 192 CA LEU A 147 9.352 5.337 -9.021 1.00 0.00 C ATOM 193 C LEU A 147 9.117 6.840 -9.207 1.00 0.00 C ATOM 194 O LEU A 147 8.511 7.265 -10.169 1.00 0.00 O ATOM 195 CB LEU A 147 8.915 4.595 -10.298 1.00 0.00 C ATOM 196 CG LEU A 147 9.471 3.164 -10.327 1.00 0.00 C ATOM 197 CD1 LEU A 147 9.069 2.495 -11.642 1.00 0.00 C ATOM 198 CD2 LEU A 147 11.000 3.187 -10.225 1.00 0.00 C ATOM 0 H LEU A 147 7.744 5.475 -7.627 1.00 0.00 H new ATOM 0 HA LEU A 147 10.407 5.132 -8.838 1.00 0.00 H new ATOM 0 HB2 LEU A 147 7.827 4.566 -10.350 1.00 0.00 H new ATOM 0 HB3 LEU A 147 9.262 5.141 -11.175 1.00 0.00 H new ATOM 0 HG LEU A 147 9.064 2.608 -9.482 1.00 0.00 H new ATOM 0 HD11 LEU A 147 9.461 1.478 -11.668 1.00 0.00 H new ATOM 0 HD12 LEU A 147 7.982 2.467 -11.718 1.00 0.00 H new ATOM 0 HD13 LEU A 147 9.477 3.063 -12.478 1.00 0.00 H new ATOM 0 HD21 LEU A 147 11.381 2.166 -10.247 1.00 0.00 H new ATOM 0 HD22 LEU A 147 11.412 3.746 -11.065 1.00 0.00 H new ATOM 0 HD23 LEU A 147 11.295 3.665 -9.291 1.00 0.00 H new ATOM 210 N LYS A 148 9.584 7.640 -8.276 1.00 0.00 N ATOM 211 CA LYS A 148 9.399 9.131 -8.341 1.00 0.00 C ATOM 212 C LYS A 148 7.966 9.494 -7.925 1.00 0.00 C ATOM 213 O LYS A 148 7.739 9.948 -6.820 1.00 0.00 O ATOM 214 CB LYS A 148 9.701 9.685 -9.749 1.00 0.00 C ATOM 215 CG LYS A 148 11.061 9.170 -10.228 1.00 0.00 C ATOM 216 CD LYS A 148 12.159 10.140 -9.784 1.00 0.00 C ATOM 217 CE LYS A 148 13.276 10.159 -10.828 1.00 0.00 C ATOM 218 NZ LYS A 148 14.252 11.235 -10.492 1.00 0.00 N ATOM 0 H LYS A 148 10.097 7.317 -7.456 1.00 0.00 H new ATOM 0 HA LYS A 148 10.108 9.588 -7.651 1.00 0.00 H new ATOM 0 HB2 LYS A 148 8.920 9.379 -10.445 1.00 0.00 H new ATOM 0 HB3 LYS A 148 9.701 10.775 -9.729 1.00 0.00 H new ATOM 0 HG2 LYS A 148 11.251 8.178 -9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 148 11.063 9.073 -11.314 1.00 0.00 H new ATOM 0 HD2 LYS A 148 11.746 11.141 -9.660 1.00 0.00 H new ATOM 0 HD3 LYS A 148 12.557 9.837 -8.816 1.00 0.00 H new ATOM 0 HE2 LYS A 148 13.779 9.192 -10.855 1.00 0.00 H new ATOM 0 HE3 LYS A 148 12.858 10.329 -11.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 15.012 11.248 -11.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 13.767 12.155 -10.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 14.659 11.053 -9.552 1.00 0.00 H new ATOM 232 N LEU A 149 7.003 9.303 -8.792 1.00 0.00 N ATOM 233 CA LEU A 149 5.592 9.643 -8.436 1.00 0.00 C ATOM 234 C LEU A 149 4.650 8.528 -8.906 1.00 0.00 C ATOM 235 O LEU A 149 4.841 7.936 -9.952 1.00 0.00 O ATOM 236 CB LEU A 149 5.202 10.959 -9.113 1.00 0.00 C ATOM 237 CG LEU A 149 4.210 11.716 -8.228 1.00 0.00 C ATOM 238 CD1 LEU A 149 4.975 12.635 -7.274 1.00 0.00 C ATOM 239 CD2 LEU A 149 3.280 12.554 -9.108 1.00 0.00 C ATOM 0 H LEU A 149 7.133 8.926 -9.731 1.00 0.00 H new ATOM 0 HA LEU A 149 5.510 9.747 -7.354 1.00 0.00 H new ATOM 0 HB2 LEU A 149 6.089 11.568 -9.286 1.00 0.00 H new ATOM 0 HB3 LEU A 149 4.757 10.760 -10.088 1.00 0.00 H new ATOM 0 HG LEU A 149 3.621 11.004 -7.651 1.00 0.00 H new ATOM 0 HD11 LEU A 149 4.268 13.174 -6.643 1.00 0.00 H new ATOM 0 HD12 LEU A 149 5.638 12.038 -6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 149 5.565 13.348 -7.850 1.00 0.00 H new ATOM 0 HD21 LEU A 149 2.573 13.094 -8.479 1.00 0.00 H new ATOM 0 HD22 LEU A 149 3.869 13.266 -9.685 1.00 0.00 H new ATOM 0 HD23 LEU A 149 2.735 11.899 -9.788 1.00 0.00 H new ATOM 251 N ALA A 150 3.630 8.247 -8.135 1.00 0.00 N ATOM 252 CA ALA A 150 2.654 7.181 -8.514 1.00 0.00 C ATOM 253 C ALA A 150 1.228 7.736 -8.323 1.00 0.00 C ATOM 254 O ALA A 150 1.003 8.913 -8.524 1.00 0.00 O ATOM 255 CB ALA A 150 2.891 5.952 -7.627 1.00 0.00 C ATOM 0 H ALA A 150 3.430 8.715 -7.251 1.00 0.00 H new ATOM 0 HA ALA A 150 2.781 6.884 -9.555 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.183 5.168 -7.896 1.00 0.00 H new ATOM 0 HB2 ALA A 150 3.908 5.589 -7.773 1.00 0.00 H new ATOM 0 HB3 ALA A 150 2.750 6.225 -6.581 1.00 0.00 H new ATOM 261 N PHE A 151 0.265 6.919 -7.936 1.00 0.00 N ATOM 262 CA PHE A 151 -1.123 7.445 -7.739 1.00 0.00 C ATOM 263 C PHE A 151 -1.922 6.507 -6.825 1.00 0.00 C ATOM 264 O PHE A 151 -2.024 5.323 -7.080 1.00 0.00 O ATOM 265 CB PHE A 151 -1.829 7.535 -9.087 1.00 0.00 C ATOM 266 CG PHE A 151 -1.417 8.790 -9.821 1.00 0.00 C ATOM 267 CD1 PHE A 151 -2.019 10.015 -9.506 1.00 0.00 C ATOM 268 CD2 PHE A 151 -0.445 8.726 -10.826 1.00 0.00 C ATOM 269 CE1 PHE A 151 -1.644 11.176 -10.193 1.00 0.00 C ATOM 270 CE2 PHE A 151 -0.072 9.886 -11.514 1.00 0.00 C ATOM 271 CZ PHE A 151 -0.670 11.112 -11.197 1.00 0.00 C ATOM 0 H PHE A 151 0.384 5.923 -7.751 1.00 0.00 H new ATOM 0 HA PHE A 151 -1.061 8.432 -7.280 1.00 0.00 H new ATOM 0 HB2 PHE A 151 -1.587 6.659 -9.689 1.00 0.00 H new ATOM 0 HB3 PHE A 151 -2.909 7.532 -8.939 1.00 0.00 H new ATOM 0 HD1 PHE A 151 -2.772 10.064 -8.733 1.00 0.00 H new ATOM 0 HD2 PHE A 151 0.017 7.781 -11.071 1.00 0.00 H new ATOM 0 HE1 PHE A 151 -2.106 12.121 -9.948 1.00 0.00 H new ATOM 0 HE2 PHE A 151 0.678 9.836 -12.290 1.00 0.00 H new ATOM 0 HZ PHE A 151 -0.380 12.008 -11.727 1.00 0.00 H new ATOM 281 N CYS A 152 -2.479 7.029 -5.757 1.00 0.00 N ATOM 282 CA CYS A 152 -3.265 6.159 -4.817 1.00 0.00 C ATOM 283 C CYS A 152 -4.657 5.850 -5.354 1.00 0.00 C ATOM 284 O CYS A 152 -5.545 6.684 -5.319 1.00 0.00 O ATOM 285 CB CYS A 152 -3.456 6.856 -3.485 1.00 0.00 C ATOM 286 SG CYS A 152 -3.832 5.601 -2.239 1.00 0.00 S ATOM 0 H CYS A 152 -2.425 8.013 -5.495 1.00 0.00 H new ATOM 0 HA CYS A 152 -2.695 5.236 -4.708 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -2.555 7.406 -3.211 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -4.266 7.583 -3.549 1.00 0.00 H new ATOM 291 N ASP A 153 -4.870 4.639 -5.791 1.00 0.00 N ATOM 292 CA ASP A 153 -6.225 4.247 -6.284 1.00 0.00 C ATOM 293 C ASP A 153 -7.247 4.298 -5.126 1.00 0.00 C ATOM 294 O ASP A 153 -8.440 4.247 -5.349 1.00 0.00 O ATOM 295 CB ASP A 153 -6.160 2.822 -6.850 1.00 0.00 C ATOM 296 CG ASP A 153 -6.107 2.876 -8.378 1.00 0.00 C ATOM 297 OD1 ASP A 153 -7.121 3.197 -8.975 1.00 0.00 O ATOM 298 OD2 ASP A 153 -5.054 2.595 -8.924 1.00 0.00 O ATOM 0 H ASP A 153 -4.165 3.902 -5.829 1.00 0.00 H new ATOM 0 HA ASP A 153 -6.541 4.941 -7.063 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -5.280 2.307 -6.464 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -7.031 2.252 -6.527 1.00 0.00 H new ATOM 303 N ILE A 154 -6.789 4.391 -3.893 1.00 0.00 N ATOM 304 CA ILE A 154 -7.731 4.437 -2.727 1.00 0.00 C ATOM 305 C ILE A 154 -8.105 5.881 -2.406 1.00 0.00 C ATOM 306 O ILE A 154 -9.178 6.150 -1.898 1.00 0.00 O ATOM 307 CB ILE A 154 -7.027 3.860 -1.486 1.00 0.00 C ATOM 308 CG1 ILE A 154 -6.612 2.388 -1.771 1.00 0.00 C ATOM 309 CG2 ILE A 154 -7.934 3.987 -0.232 1.00 0.00 C ATOM 310 CD1 ILE A 154 -7.648 1.387 -1.230 1.00 0.00 C ATOM 0 H ILE A 154 -5.800 4.437 -3.647 1.00 0.00 H new ATOM 0 HA ILE A 154 -8.622 3.863 -2.981 1.00 0.00 H new ATOM 0 HB ILE A 154 -6.123 4.431 -1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -6.495 2.245 -2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.642 2.189 -1.315 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -7.417 3.573 0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -8.160 5.038 -0.052 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -8.862 3.439 -0.397 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -7.321 0.371 -1.449 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -7.746 1.512 -0.152 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -8.612 1.568 -1.705 1.00 0.00 H new ATOM 322 N CYS A 155 -7.204 6.795 -2.624 1.00 0.00 N ATOM 323 CA CYS A 155 -7.481 8.198 -2.249 1.00 0.00 C ATOM 324 C CYS A 155 -7.965 9.016 -3.448 1.00 0.00 C ATOM 325 O CYS A 155 -9.152 9.133 -3.661 1.00 0.00 O ATOM 326 CB CYS A 155 -6.217 8.772 -1.645 1.00 0.00 C ATOM 327 SG CYS A 155 -5.897 7.925 -0.067 1.00 0.00 S ATOM 0 H CYS A 155 -6.290 6.627 -3.045 1.00 0.00 H new ATOM 0 HA CYS A 155 -8.289 8.238 -1.518 1.00 0.00 H new ATOM 0 HB2 CYS A 155 -5.376 8.636 -2.325 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -6.327 9.844 -1.484 1.00 0.00 H new ATOM 332 N GLN A 156 -7.070 9.575 -4.230 1.00 0.00 N ATOM 333 CA GLN A 156 -7.492 10.394 -5.423 1.00 0.00 C ATOM 334 C GLN A 156 -6.303 11.155 -6.030 1.00 0.00 C ATOM 335 O GLN A 156 -6.377 11.593 -7.164 1.00 0.00 O ATOM 336 CB GLN A 156 -8.579 11.420 -5.031 1.00 0.00 C ATOM 337 CG GLN A 156 -9.957 10.926 -5.489 1.00 0.00 C ATOM 338 CD GLN A 156 -10.335 11.606 -6.808 1.00 0.00 C ATOM 339 OE1 GLN A 156 -10.344 10.977 -7.847 1.00 0.00 O ATOM 340 NE2 GLN A 156 -10.649 12.871 -6.807 1.00 0.00 N ATOM 0 H GLN A 156 -6.061 9.501 -4.096 1.00 0.00 H new ATOM 0 HA GLN A 156 -7.889 9.696 -6.160 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -8.577 11.569 -3.951 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -8.360 12.386 -5.486 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -9.942 9.844 -5.618 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -10.705 11.146 -4.727 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -10.641 13.398 -5.934 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -10.903 13.334 -7.680 1.00 0.00 H new ATOM 349 N LYS A 157 -5.222 11.341 -5.304 1.00 0.00 N ATOM 350 CA LYS A 157 -4.076 12.096 -5.872 1.00 0.00 C ATOM 351 C LYS A 157 -2.845 11.197 -5.922 1.00 0.00 C ATOM 352 O LYS A 157 -2.859 10.086 -5.448 1.00 0.00 O ATOM 353 CB LYS A 157 -3.787 13.310 -4.988 1.00 0.00 C ATOM 354 CG LYS A 157 -4.830 14.397 -5.255 1.00 0.00 C ATOM 355 CD LYS A 157 -6.104 14.089 -4.464 1.00 0.00 C ATOM 356 CE LYS A 157 -6.737 15.397 -3.987 1.00 0.00 C ATOM 357 NZ LYS A 157 -6.217 15.735 -2.631 1.00 0.00 N ATOM 0 H LYS A 157 -5.092 11.002 -4.351 1.00 0.00 H new ATOM 0 HA LYS A 157 -4.320 12.427 -6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -3.808 13.021 -3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -2.787 13.693 -5.193 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -4.437 15.372 -4.966 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -5.054 14.447 -6.321 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -6.808 13.538 -5.088 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -5.870 13.453 -3.610 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -6.508 16.201 -4.687 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -7.822 15.299 -3.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -6.647 16.624 -2.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -6.457 14.971 -1.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -5.184 15.845 -2.673 1.00 0.00 H new ATOM 371 N PHE A 158 -1.794 11.687 -6.521 1.00 0.00 N ATOM 372 CA PHE A 158 -0.514 10.924 -6.670 1.00 0.00 C ATOM 373 C PHE A 158 -0.137 10.126 -5.392 1.00 0.00 C ATOM 374 O PHE A 158 -0.698 10.310 -4.330 1.00 0.00 O ATOM 375 CB PHE A 158 0.595 11.956 -6.950 1.00 0.00 C ATOM 376 CG PHE A 158 0.882 12.701 -5.668 1.00 0.00 C ATOM 377 CD1 PHE A 158 -0.041 13.625 -5.180 1.00 0.00 C ATOM 378 CD2 PHE A 158 2.028 12.398 -4.934 1.00 0.00 C ATOM 379 CE1 PHE A 158 0.185 14.259 -3.960 1.00 0.00 C ATOM 380 CE2 PHE A 158 2.255 13.024 -3.709 1.00 0.00 C ATOM 381 CZ PHE A 158 1.334 13.958 -3.217 1.00 0.00 C ATOM 0 H PHE A 158 -1.767 12.621 -6.930 1.00 0.00 H new ATOM 0 HA PHE A 158 -0.631 10.200 -7.476 1.00 0.00 H new ATOM 0 HB2 PHE A 158 1.495 11.458 -7.310 1.00 0.00 H new ATOM 0 HB3 PHE A 158 0.281 12.649 -7.730 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.932 13.849 -5.748 1.00 0.00 H new ATOM 0 HD2 PHE A 158 2.739 11.679 -5.314 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -0.525 14.982 -3.587 1.00 0.00 H new ATOM 0 HE2 PHE A 158 3.142 12.789 -3.139 1.00 0.00 H new ATOM 0 HZ PHE A 158 1.509 14.444 -2.269 1.00 0.00 H new ATOM 391 N LEU A 159 0.867 9.300 -5.505 1.00 0.00 N ATOM 392 CA LEU A 159 1.374 8.528 -4.329 1.00 0.00 C ATOM 393 C LEU A 159 2.833 8.938 -4.097 1.00 0.00 C ATOM 394 O LEU A 159 3.577 9.146 -5.038 1.00 0.00 O ATOM 395 CB LEU A 159 1.344 7.013 -4.630 1.00 0.00 C ATOM 396 CG LEU A 159 0.971 6.154 -3.386 1.00 0.00 C ATOM 397 CD1 LEU A 159 1.508 6.736 -2.071 1.00 0.00 C ATOM 398 CD2 LEU A 159 -0.545 6.020 -3.306 1.00 0.00 C ATOM 0 H LEU A 159 1.367 9.123 -6.376 1.00 0.00 H new ATOM 0 HA LEU A 159 0.752 8.735 -3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.625 6.820 -5.427 1.00 0.00 H new ATOM 0 HB3 LEU A 159 2.321 6.702 -5.000 1.00 0.00 H new ATOM 0 HG LEU A 159 1.440 5.178 -3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 159 1.215 6.092 -1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 159 2.595 6.796 -2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 159 1.096 7.733 -1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -0.812 5.419 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -0.993 7.009 -3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -0.916 5.535 -4.209 1.00 0.00 H new ATOM 410 N LEU A 160 3.251 9.039 -2.867 1.00 0.00 N ATOM 411 CA LEU A 160 4.653 9.414 -2.571 1.00 0.00 C ATOM 412 C LEU A 160 5.284 8.254 -1.805 1.00 0.00 C ATOM 413 O LEU A 160 4.639 7.253 -1.577 1.00 0.00 O ATOM 414 CB LEU A 160 4.654 10.669 -1.703 1.00 0.00 C ATOM 415 CG LEU A 160 3.754 10.463 -0.481 1.00 0.00 C ATOM 416 CD1 LEU A 160 4.385 11.134 0.741 1.00 0.00 C ATOM 417 CD2 LEU A 160 2.378 11.080 -0.747 1.00 0.00 C ATOM 0 H LEU A 160 2.669 8.874 -2.045 1.00 0.00 H new ATOM 0 HA LEU A 160 5.212 9.614 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 160 5.670 10.898 -1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 160 4.303 11.522 -2.283 1.00 0.00 H new ATOM 0 HG LEU A 160 3.643 9.395 -0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 160 3.743 10.986 1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 160 5.363 10.693 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 160 4.499 12.201 0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 160 1.739 10.933 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 160 2.489 12.147 -0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 160 1.926 10.600 -1.615 1.00 0.00 H new ATOM 429 N ASN A 161 6.533 8.360 -1.418 1.00 0.00 N ATOM 430 CA ASN A 161 7.202 7.232 -0.676 1.00 0.00 C ATOM 431 C ASN A 161 6.297 6.733 0.466 1.00 0.00 C ATOM 432 O ASN A 161 6.264 7.305 1.539 1.00 0.00 O ATOM 433 CB ASN A 161 8.529 7.731 -0.096 1.00 0.00 C ATOM 434 CG ASN A 161 8.282 8.976 0.757 1.00 0.00 C ATOM 435 OD1 ASN A 161 8.044 10.047 0.234 1.00 0.00 O ATOM 436 ND2 ASN A 161 8.328 8.881 2.057 1.00 0.00 N ATOM 0 H ASN A 161 7.122 9.177 -1.582 1.00 0.00 H new ATOM 0 HA ASN A 161 7.384 6.408 -1.366 1.00 0.00 H new ATOM 0 HB2 ASN A 161 8.990 6.950 0.508 1.00 0.00 H new ATOM 0 HB3 ASN A 161 9.225 7.963 -0.902 1.00 0.00 H new ATOM 0 HD21 ASN A 161 8.164 9.706 2.635 1.00 0.00 H new ATOM 0 HD22 ASN A 161 8.528 7.982 2.496 1.00 0.00 H new ATOM 443 N GLY A 162 5.542 5.684 0.225 1.00 0.00 N ATOM 444 CA GLY A 162 4.617 5.166 1.274 1.00 0.00 C ATOM 445 C GLY A 162 4.747 3.648 1.385 1.00 0.00 C ATOM 446 O GLY A 162 5.828 3.120 1.552 1.00 0.00 O ATOM 0 H GLY A 162 5.530 5.168 -0.655 1.00 0.00 H new ATOM 0 HA2 GLY A 162 4.847 5.630 2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 162 3.589 5.434 1.028 1.00 0.00 H new ATOM 450 N PHE A 163 3.646 2.949 1.294 1.00 0.00 N ATOM 451 CA PHE A 163 3.686 1.463 1.400 1.00 0.00 C ATOM 452 C PHE A 163 3.164 0.842 0.102 1.00 0.00 C ATOM 453 O PHE A 163 1.999 0.962 -0.231 1.00 0.00 O ATOM 454 CB PHE A 163 2.808 1.012 2.568 1.00 0.00 C ATOM 455 CG PHE A 163 3.512 1.300 3.872 1.00 0.00 C ATOM 456 CD1 PHE A 163 3.427 2.572 4.451 1.00 0.00 C ATOM 457 CD2 PHE A 163 4.246 0.290 4.508 1.00 0.00 C ATOM 458 CE1 PHE A 163 4.078 2.835 5.663 1.00 0.00 C ATOM 459 CE2 PHE A 163 4.895 0.553 5.720 1.00 0.00 C ATOM 460 CZ PHE A 163 4.809 1.826 6.297 1.00 0.00 C ATOM 0 H PHE A 163 2.718 3.346 1.150 1.00 0.00 H new ATOM 0 HA PHE A 163 4.713 1.140 1.569 1.00 0.00 H new ATOM 0 HB2 PHE A 163 1.850 1.531 2.538 1.00 0.00 H new ATOM 0 HB3 PHE A 163 2.595 -0.054 2.486 1.00 0.00 H new ATOM 0 HD1 PHE A 163 2.859 3.350 3.963 1.00 0.00 H new ATOM 0 HD2 PHE A 163 4.311 -0.692 4.063 1.00 0.00 H new ATOM 0 HE1 PHE A 163 4.015 3.817 6.108 1.00 0.00 H new ATOM 0 HE2 PHE A 163 5.462 -0.225 6.210 1.00 0.00 H new ATOM 0 HZ PHE A 163 5.308 2.029 7.233 1.00 0.00 H new ATOM 470 N ARG A 164 4.028 0.191 -0.634 1.00 0.00 N ATOM 471 CA ARG A 164 3.607 -0.441 -1.921 1.00 0.00 C ATOM 472 C ARG A 164 3.828 -1.954 -1.870 1.00 0.00 C ATOM 473 O ARG A 164 4.495 -2.473 -0.996 1.00 0.00 O ATOM 474 CB ARG A 164 4.420 0.124 -3.103 1.00 0.00 C ATOM 475 CG ARG A 164 5.821 0.594 -2.666 1.00 0.00 C ATOM 476 CD ARG A 164 6.684 -0.619 -2.313 1.00 0.00 C ATOM 477 NE ARG A 164 6.789 -1.522 -3.498 1.00 0.00 N ATOM 478 CZ ARG A 164 7.313 -1.086 -4.615 1.00 0.00 C ATOM 479 NH1 ARG A 164 8.607 -0.952 -4.722 1.00 0.00 N ATOM 480 NH2 ARG A 164 6.542 -0.786 -5.625 1.00 0.00 N ATOM 0 H ARG A 164 5.013 0.069 -0.397 1.00 0.00 H new ATOM 0 HA ARG A 164 2.549 -0.220 -2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 164 4.518 -0.640 -3.874 1.00 0.00 H new ATOM 0 HB3 ARG A 164 3.880 0.959 -3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 164 6.290 1.165 -3.467 1.00 0.00 H new ATOM 0 HG3 ARG A 164 5.741 1.258 -1.805 1.00 0.00 H new ATOM 0 HD2 ARG A 164 7.677 -0.293 -2.002 1.00 0.00 H new ATOM 0 HD3 ARG A 164 6.247 -1.156 -1.471 1.00 0.00 H new ATOM 0 HE ARG A 164 6.451 -2.482 -3.436 1.00 0.00 H new ATOM 0 HH11 ARG A 164 9.211 -1.187 -3.934 1.00 0.00 H new ATOM 0 HH12 ARG A 164 9.014 -0.612 -5.593 1.00 0.00 H new ATOM 0 HH21 ARG A 164 5.531 -0.891 -5.544 1.00 0.00 H new ATOM 0 HH22 ARG A 164 6.951 -0.446 -6.495 1.00 0.00 H new ATOM 494 N CYS A 165 3.286 -2.653 -2.834 1.00 0.00 N ATOM 495 CA CYS A 165 3.467 -4.132 -2.908 1.00 0.00 C ATOM 496 C CYS A 165 4.468 -4.406 -4.025 1.00 0.00 C ATOM 497 O CYS A 165 4.297 -3.940 -5.141 1.00 0.00 O ATOM 498 CB CYS A 165 2.120 -4.803 -3.218 1.00 0.00 C ATOM 499 SG CYS A 165 2.318 -6.595 -3.462 1.00 0.00 S ATOM 0 H CYS A 165 2.718 -2.255 -3.582 1.00 0.00 H new ATOM 0 HA CYS A 165 3.832 -4.533 -1.962 1.00 0.00 H new ATOM 0 HB2 CYS A 165 1.423 -4.620 -2.401 1.00 0.00 H new ATOM 0 HB3 CYS A 165 1.686 -4.357 -4.113 1.00 0.00 H new ATOM 504 N GLN A 166 5.511 -5.143 -3.731 1.00 0.00 N ATOM 505 CA GLN A 166 6.551 -5.439 -4.765 1.00 0.00 C ATOM 506 C GLN A 166 6.215 -6.726 -5.537 1.00 0.00 C ATOM 507 O GLN A 166 7.097 -7.425 -5.995 1.00 0.00 O ATOM 508 CB GLN A 166 7.912 -5.593 -4.083 1.00 0.00 C ATOM 509 CG GLN A 166 9.003 -4.967 -4.961 1.00 0.00 C ATOM 510 CD GLN A 166 10.378 -5.273 -4.363 1.00 0.00 C ATOM 511 OE1 GLN A 166 10.569 -6.301 -3.744 1.00 0.00 O ATOM 512 NE2 GLN A 166 11.350 -4.418 -4.525 1.00 0.00 N ATOM 0 H GLN A 166 5.687 -5.554 -2.814 1.00 0.00 H new ATOM 0 HA GLN A 166 6.578 -4.612 -5.475 1.00 0.00 H new ATOM 0 HB2 GLN A 166 7.897 -5.111 -3.106 1.00 0.00 H new ATOM 0 HB3 GLN A 166 8.128 -6.648 -3.914 1.00 0.00 H new ATOM 0 HG2 GLN A 166 8.940 -5.362 -5.975 1.00 0.00 H new ATOM 0 HG3 GLN A 166 8.856 -3.889 -5.029 1.00 0.00 H new ATOM 0 HE21 GLN A 166 11.189 -3.555 -5.045 1.00 0.00 H new ATOM 0 HE22 GLN A 166 12.271 -4.612 -4.132 1.00 0.00 H new ATOM 521 N THR A 167 4.953 -7.028 -5.702 1.00 0.00 N ATOM 522 CA THR A 167 4.556 -8.249 -6.467 1.00 0.00 C ATOM 523 C THR A 167 3.475 -7.836 -7.468 1.00 0.00 C ATOM 524 O THR A 167 3.554 -8.139 -8.644 1.00 0.00 O ATOM 525 CB THR A 167 4.020 -9.335 -5.517 1.00 0.00 C ATOM 526 OG1 THR A 167 3.981 -8.845 -4.184 1.00 0.00 O ATOM 527 CG2 THR A 167 4.928 -10.569 -5.570 1.00 0.00 C ATOM 0 H THR A 167 4.175 -6.478 -5.337 1.00 0.00 H new ATOM 0 HA THR A 167 5.419 -8.666 -6.986 1.00 0.00 H new ATOM 0 HB THR A 167 3.013 -9.606 -5.833 1.00 0.00 H new ATOM 0 HG1 THR A 167 3.225 -8.229 -4.084 1.00 0.00 H new ATOM 0 HG21 THR A 167 4.543 -11.333 -4.895 1.00 0.00 H new ATOM 0 HG22 THR A 167 4.951 -10.961 -6.587 1.00 0.00 H new ATOM 0 HG23 THR A 167 5.937 -10.292 -5.265 1.00 0.00 H new ATOM 535 N CYS A 168 2.487 -7.110 -7.009 1.00 0.00 N ATOM 536 CA CYS A 168 1.413 -6.627 -7.919 1.00 0.00 C ATOM 537 C CYS A 168 1.674 -5.156 -8.280 1.00 0.00 C ATOM 538 O CYS A 168 1.050 -4.619 -9.177 1.00 0.00 O ATOM 539 CB CYS A 168 0.032 -6.788 -7.250 1.00 0.00 C ATOM 540 SG CYS A 168 -0.132 -5.739 -5.768 1.00 0.00 S ATOM 0 H CYS A 168 2.381 -6.831 -6.034 1.00 0.00 H new ATOM 0 HA CYS A 168 1.417 -7.222 -8.832 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -0.750 -6.531 -7.965 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -0.118 -7.832 -6.974 1.00 0.00 H new ATOM 545 N GLY A 169 2.590 -4.498 -7.593 1.00 0.00 N ATOM 546 CA GLY A 169 2.875 -3.073 -7.908 1.00 0.00 C ATOM 547 C GLY A 169 1.764 -2.216 -7.324 1.00 0.00 C ATOM 548 O GLY A 169 1.150 -1.423 -8.014 1.00 0.00 O ATOM 0 H GLY A 169 3.144 -4.894 -6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 169 3.838 -2.779 -7.492 1.00 0.00 H new ATOM 0 HA3 GLY A 169 2.937 -2.929 -8.987 1.00 0.00 H new ATOM 552 N TYR A 170 1.500 -2.372 -6.053 1.00 0.00 N ATOM 553 CA TYR A 170 0.419 -1.563 -5.417 1.00 0.00 C ATOM 554 C TYR A 170 1.044 -0.318 -4.803 1.00 0.00 C ATOM 555 O TYR A 170 2.250 -0.226 -4.690 1.00 0.00 O ATOM 556 CB TYR A 170 -0.298 -2.386 -4.341 1.00 0.00 C ATOM 557 CG TYR A 170 -1.794 -2.235 -4.504 1.00 0.00 C ATOM 558 CD1 TYR A 170 -2.496 -3.070 -5.385 1.00 0.00 C ATOM 559 CD2 TYR A 170 -2.480 -1.254 -3.781 1.00 0.00 C ATOM 560 CE1 TYR A 170 -3.880 -2.925 -5.538 1.00 0.00 C ATOM 561 CE2 TYR A 170 -3.864 -1.108 -3.933 1.00 0.00 C ATOM 562 CZ TYR A 170 -4.564 -1.943 -4.811 1.00 0.00 C ATOM 563 OH TYR A 170 -5.928 -1.800 -4.959 1.00 0.00 O ATOM 0 H TYR A 170 1.983 -3.021 -5.431 1.00 0.00 H new ATOM 0 HA TYR A 170 -0.318 -1.275 -6.167 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -0.017 -3.436 -4.423 1.00 0.00 H new ATOM 0 HB3 TYR A 170 0.006 -2.051 -3.349 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -1.968 -3.826 -5.947 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -1.941 -0.608 -3.104 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.419 -3.570 -6.216 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -4.392 -0.351 -3.372 1.00 0.00 H new ATOM 0 HH TYR A 170 -6.357 -2.679 -4.904 1.00 0.00 H new ATOM 573 N LYS A 171 0.246 0.649 -4.430 1.00 0.00 N ATOM 574 CA LYS A 171 0.814 1.898 -3.849 1.00 0.00 C ATOM 575 C LYS A 171 -0.268 2.611 -3.042 1.00 0.00 C ATOM 576 O LYS A 171 -1.341 2.863 -3.560 1.00 0.00 O ATOM 577 CB LYS A 171 1.280 2.789 -5.007 1.00 0.00 C ATOM 578 CG LYS A 171 0.106 3.085 -5.947 1.00 0.00 C ATOM 579 CD LYS A 171 0.609 3.150 -7.393 1.00 0.00 C ATOM 580 CE LYS A 171 0.524 1.760 -8.024 1.00 0.00 C ATOM 581 NZ LYS A 171 0.456 1.891 -9.507 1.00 0.00 N ATOM 0 H LYS A 171 -0.771 0.626 -4.503 1.00 0.00 H new ATOM 0 HA LYS A 171 1.653 1.674 -3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 171 1.688 3.721 -4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 171 2.081 2.295 -5.557 1.00 0.00 H new ATOM 0 HG2 LYS A 171 -0.655 2.310 -5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 171 -0.364 4.029 -5.672 1.00 0.00 H new ATOM 0 HD2 LYS A 171 0.011 3.859 -7.966 1.00 0.00 H new ATOM 0 HD3 LYS A 171 1.638 3.509 -7.416 1.00 0.00 H new ATOM 0 HE2 LYS A 171 1.393 1.166 -7.740 1.00 0.00 H new ATOM 0 HE3 LYS A 171 -0.356 1.234 -7.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 0.398 0.946 -9.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 -0.386 2.442 -9.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 1.309 2.377 -9.852 1.00 0.00 H new ATOM 595 N PHE A 172 -0.024 2.933 -1.781 1.00 0.00 N ATOM 596 CA PHE A 172 -1.101 3.620 -1.000 1.00 0.00 C ATOM 597 C PHE A 172 -0.591 4.187 0.358 1.00 0.00 C ATOM 598 O PHE A 172 0.327 3.671 0.964 1.00 0.00 O ATOM 599 CB PHE A 172 -2.266 2.625 -0.837 1.00 0.00 C ATOM 600 CG PHE A 172 -1.985 1.566 0.210 1.00 0.00 C ATOM 601 CD1 PHE A 172 -1.986 1.900 1.563 1.00 0.00 C ATOM 602 CD2 PHE A 172 -1.771 0.241 -0.180 1.00 0.00 C ATOM 603 CE1 PHE A 172 -1.767 0.922 2.532 1.00 0.00 C ATOM 604 CE2 PHE A 172 -1.557 -0.745 0.788 1.00 0.00 C ATOM 605 CZ PHE A 172 -1.551 -0.406 2.147 1.00 0.00 C ATOM 0 H PHE A 172 0.846 2.754 -1.280 1.00 0.00 H new ATOM 0 HA PHE A 172 -1.446 4.500 -1.542 1.00 0.00 H new ATOM 0 HB2 PHE A 172 -3.169 3.170 -0.564 1.00 0.00 H new ATOM 0 HB3 PHE A 172 -2.463 2.142 -1.794 1.00 0.00 H new ATOM 0 HD1 PHE A 172 -2.158 2.923 1.863 1.00 0.00 H new ATOM 0 HD2 PHE A 172 -1.771 -0.021 -1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 172 -1.764 1.189 3.579 1.00 0.00 H new ATOM 0 HE2 PHE A 172 -1.396 -1.770 0.487 1.00 0.00 H new ATOM 0 HZ PHE A 172 -1.380 -1.166 2.895 1.00 0.00 H new ATOM 615 N HIS A 173 -1.190 5.284 0.797 1.00 0.00 N ATOM 616 CA HIS A 173 -0.785 5.987 2.083 1.00 0.00 C ATOM 617 C HIS A 173 -1.455 5.352 3.356 1.00 0.00 C ATOM 618 O HIS A 173 -1.574 4.154 3.467 1.00 0.00 O ATOM 619 CB HIS A 173 -1.178 7.482 2.019 1.00 0.00 C ATOM 620 CG HIS A 173 -1.342 7.988 0.643 1.00 0.00 C ATOM 621 ND1 HIS A 173 -2.565 7.912 -0.035 1.00 0.00 N ATOM 622 CD2 HIS A 173 -0.495 8.682 -0.141 1.00 0.00 C ATOM 623 CE1 HIS A 173 -2.380 8.589 -1.177 1.00 0.00 C ATOM 624 NE2 HIS A 173 -1.133 9.068 -1.282 1.00 0.00 N ATOM 0 H HIS A 173 -1.963 5.735 0.307 1.00 0.00 H new ATOM 0 HA HIS A 173 0.295 5.873 2.172 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -2.110 7.628 2.565 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -0.415 8.072 2.526 1.00 0.00 H new ATOM 0 HD2 HIS A 173 0.535 8.900 0.098 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -3.146 8.732 -1.925 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -0.743 9.608 -2.054 1.00 0.00 H new ATOM 632 N GLU A 174 -1.855 6.163 4.346 1.00 0.00 N ATOM 633 CA GLU A 174 -2.470 5.625 5.606 1.00 0.00 C ATOM 634 C GLU A 174 -3.991 5.424 5.461 1.00 0.00 C ATOM 635 O GLU A 174 -4.593 4.693 6.223 1.00 0.00 O ATOM 636 CB GLU A 174 -2.207 6.623 6.738 1.00 0.00 C ATOM 637 CG GLU A 174 -2.080 5.878 8.066 1.00 0.00 C ATOM 638 CD GLU A 174 -0.618 5.492 8.301 1.00 0.00 C ATOM 639 OE1 GLU A 174 0.066 5.211 7.329 1.00 0.00 O ATOM 640 OE2 GLU A 174 -0.205 5.485 9.450 1.00 0.00 O ATOM 0 H GLU A 174 -1.773 7.179 4.318 1.00 0.00 H new ATOM 0 HA GLU A 174 -2.022 4.655 5.820 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -1.294 7.183 6.536 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -3.020 7.347 6.793 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -2.436 6.506 8.882 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -2.705 4.985 8.055 1.00 0.00 H new ATOM 647 N HIS A 175 -4.621 6.043 4.483 1.00 0.00 N ATOM 648 CA HIS A 175 -6.105 5.860 4.285 1.00 0.00 C ATOM 649 C HIS A 175 -6.352 4.630 3.418 1.00 0.00 C ATOM 650 O HIS A 175 -7.329 4.565 2.686 1.00 0.00 O ATOM 651 CB HIS A 175 -6.651 7.042 3.488 1.00 0.00 C ATOM 652 CG HIS A 175 -6.767 8.256 4.367 1.00 0.00 C ATOM 653 ND1 HIS A 175 -6.865 9.554 3.838 1.00 0.00 N ATOM 654 CD2 HIS A 175 -6.800 8.400 5.729 1.00 0.00 C ATOM 655 CE1 HIS A 175 -6.952 10.391 4.887 1.00 0.00 C ATOM 656 NE2 HIS A 175 -6.916 9.729 6.051 1.00 0.00 N ATOM 0 H HIS A 175 -4.173 6.667 3.812 1.00 0.00 H new ATOM 0 HA HIS A 175 -6.578 5.769 5.263 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -5.993 7.256 2.646 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -7.627 6.790 3.074 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -6.743 7.590 6.441 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -7.040 11.464 4.802 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -6.965 10.131 6.987 1.00 0.00 H new ATOM 664 N CYS A 176 -5.430 3.715 3.396 1.00 0.00 N ATOM 665 CA CYS A 176 -5.550 2.586 2.475 1.00 0.00 C ATOM 666 C CYS A 176 -4.821 1.362 3.042 1.00 0.00 C ATOM 667 O CYS A 176 -4.440 0.466 2.313 1.00 0.00 O ATOM 668 CB CYS A 176 -4.935 3.044 1.130 1.00 0.00 C ATOM 669 SG CYS A 176 -4.067 4.679 1.277 1.00 0.00 S ATOM 0 H CYS A 176 -4.597 3.711 3.985 1.00 0.00 H new ATOM 0 HA CYS A 176 -6.590 2.292 2.332 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -4.230 2.290 0.779 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -5.722 3.118 0.379 1.00 0.00 H new ATOM 674 N SER A 177 -4.653 1.312 4.341 1.00 0.00 N ATOM 675 CA SER A 177 -3.974 0.145 4.975 1.00 0.00 C ATOM 676 C SER A 177 -5.039 -0.800 5.539 1.00 0.00 C ATOM 677 O SER A 177 -6.021 -0.366 6.107 1.00 0.00 O ATOM 678 CB SER A 177 -3.066 0.639 6.109 1.00 0.00 C ATOM 679 OG SER A 177 -1.706 0.514 5.715 1.00 0.00 O ATOM 0 H SER A 177 -4.960 2.035 4.991 1.00 0.00 H new ATOM 0 HA SER A 177 -3.369 -0.382 4.237 1.00 0.00 H new ATOM 0 HB2 SER A 177 -3.293 1.679 6.345 1.00 0.00 H new ATOM 0 HB3 SER A 177 -3.248 0.060 7.014 1.00 0.00 H new ATOM 0 HG SER A 177 -1.125 0.831 6.438 1.00 0.00 H new ATOM 685 N THR A 178 -4.858 -2.089 5.371 1.00 0.00 N ATOM 686 CA THR A 178 -5.858 -3.086 5.882 1.00 0.00 C ATOM 687 C THR A 178 -7.273 -2.717 5.409 1.00 0.00 C ATOM 688 O THR A 178 -8.257 -3.075 6.030 1.00 0.00 O ATOM 689 CB THR A 178 -5.828 -3.129 7.418 1.00 0.00 C ATOM 690 OG1 THR A 178 -6.436 -1.957 7.941 1.00 0.00 O ATOM 691 CG2 THR A 178 -4.382 -3.222 7.911 1.00 0.00 C ATOM 0 H THR A 178 -4.053 -2.498 4.897 1.00 0.00 H new ATOM 0 HA THR A 178 -5.594 -4.068 5.488 1.00 0.00 H new ATOM 0 HB THR A 178 -6.378 -4.006 7.760 1.00 0.00 H new ATOM 0 HG1 THR A 178 -6.586 -1.315 7.216 1.00 0.00 H new ATOM 0 HG21 THR A 178 -4.370 -3.252 9.001 1.00 0.00 H new ATOM 0 HG22 THR A 178 -3.921 -4.128 7.518 1.00 0.00 H new ATOM 0 HG23 THR A 178 -3.823 -2.352 7.566 1.00 0.00 H new ATOM 699 N LYS A 179 -7.377 -2.001 4.317 1.00 0.00 N ATOM 700 CA LYS A 179 -8.721 -1.601 3.797 1.00 0.00 C ATOM 701 C LYS A 179 -8.816 -1.911 2.294 1.00 0.00 C ATOM 702 O LYS A 179 -9.880 -2.198 1.780 1.00 0.00 O ATOM 703 CB LYS A 179 -8.927 -0.095 4.030 1.00 0.00 C ATOM 704 CG LYS A 179 -10.247 0.141 4.772 1.00 0.00 C ATOM 705 CD LYS A 179 -10.596 1.631 4.740 1.00 0.00 C ATOM 706 CE LYS A 179 -11.588 1.947 5.863 1.00 0.00 C ATOM 707 NZ LYS A 179 -11.547 3.406 6.166 1.00 0.00 N ATOM 0 H LYS A 179 -6.586 -1.675 3.761 1.00 0.00 H new ATOM 0 HA LYS A 179 -9.494 -2.162 4.323 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -8.097 0.309 4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -8.937 0.432 3.076 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -11.045 -0.440 4.309 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -10.162 -0.201 5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -9.693 2.230 4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -11.028 1.894 3.774 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -12.595 1.655 5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -11.339 1.372 6.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -12.221 3.621 6.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -10.587 3.671 6.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -11.804 3.945 5.315 1.00 0.00 H new ATOM 721 N VAL A 180 -7.714 -1.850 1.583 1.00 0.00 N ATOM 722 CA VAL A 180 -7.719 -2.131 0.114 1.00 0.00 C ATOM 723 C VAL A 180 -8.449 -3.472 -0.180 1.00 0.00 C ATOM 724 O VAL A 180 -7.999 -4.510 0.265 1.00 0.00 O ATOM 725 CB VAL A 180 -6.262 -2.206 -0.365 1.00 0.00 C ATOM 726 CG1 VAL A 180 -5.532 -3.345 0.353 1.00 0.00 C ATOM 727 CG2 VAL A 180 -6.225 -2.449 -1.875 1.00 0.00 C ATOM 0 H VAL A 180 -6.799 -1.614 1.966 1.00 0.00 H new ATOM 0 HA VAL A 180 -8.248 -1.338 -0.414 1.00 0.00 H new ATOM 0 HB VAL A 180 -5.767 -1.262 -0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -4.499 -3.391 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -5.547 -3.166 1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -6.030 -4.290 0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -5.189 -2.501 -2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -6.729 -3.388 -2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -6.731 -1.631 -2.388 1.00 0.00 H new ATOM 737 N PRO A 181 -9.557 -3.431 -0.910 1.00 0.00 N ATOM 738 CA PRO A 181 -10.318 -4.652 -1.235 1.00 0.00 C ATOM 739 C PRO A 181 -9.652 -5.418 -2.382 1.00 0.00 C ATOM 740 O PRO A 181 -9.200 -6.536 -2.215 1.00 0.00 O ATOM 741 CB PRO A 181 -11.691 -4.123 -1.661 1.00 0.00 C ATOM 742 CG PRO A 181 -11.478 -2.659 -2.106 1.00 0.00 C ATOM 743 CD PRO A 181 -10.155 -2.192 -1.475 1.00 0.00 C ATOM 0 HA PRO A 181 -10.374 -5.349 -0.399 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -12.101 -4.720 -2.475 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -12.401 -4.178 -0.836 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -11.435 -2.587 -3.193 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -12.306 -2.031 -1.778 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -9.499 -1.737 -2.218 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -10.326 -1.444 -0.700 1.00 0.00 H new ATOM 751 N THR A 182 -9.593 -4.825 -3.551 1.00 0.00 N ATOM 752 CA THR A 182 -8.962 -5.516 -4.720 1.00 0.00 C ATOM 753 C THR A 182 -7.498 -5.840 -4.401 1.00 0.00 C ATOM 754 O THR A 182 -6.622 -5.011 -4.554 1.00 0.00 O ATOM 755 CB THR A 182 -9.030 -4.604 -5.951 1.00 0.00 C ATOM 756 OG1 THR A 182 -10.186 -3.783 -5.870 1.00 0.00 O ATOM 757 CG2 THR A 182 -9.099 -5.457 -7.220 1.00 0.00 C ATOM 0 H THR A 182 -9.955 -3.892 -3.746 1.00 0.00 H new ATOM 0 HA THR A 182 -9.499 -6.443 -4.924 1.00 0.00 H new ATOM 0 HB THR A 182 -8.139 -3.977 -5.985 1.00 0.00 H new ATOM 0 HG1 THR A 182 -10.228 -3.199 -6.656 1.00 0.00 H new ATOM 0 HG21 THR A 182 -9.147 -4.807 -8.093 1.00 0.00 H new ATOM 0 HG22 THR A 182 -8.211 -6.086 -7.284 1.00 0.00 H new ATOM 0 HG23 THR A 182 -9.988 -6.087 -7.187 1.00 0.00 H new ATOM 765 N MET A 183 -7.236 -7.042 -3.955 1.00 0.00 N ATOM 766 CA MET A 183 -5.838 -7.440 -3.615 1.00 0.00 C ATOM 767 C MET A 183 -5.110 -7.908 -4.883 1.00 0.00 C ATOM 768 O MET A 183 -5.516 -7.610 -5.989 1.00 0.00 O ATOM 769 CB MET A 183 -5.878 -8.574 -2.576 1.00 0.00 C ATOM 770 CG MET A 183 -4.934 -8.250 -1.412 1.00 0.00 C ATOM 771 SD MET A 183 -5.381 -9.253 0.026 1.00 0.00 S ATOM 772 CE MET A 183 -6.505 -8.062 0.795 1.00 0.00 C ATOM 0 H MET A 183 -7.936 -7.769 -3.811 1.00 0.00 H new ATOM 0 HA MET A 183 -5.301 -6.588 -3.199 1.00 0.00 H new ATOM 0 HB2 MET A 183 -6.895 -8.704 -2.205 1.00 0.00 H new ATOM 0 HB3 MET A 183 -5.586 -9.515 -3.041 1.00 0.00 H new ATOM 0 HG2 MET A 183 -3.902 -8.449 -1.701 1.00 0.00 H new ATOM 0 HG3 MET A 183 -4.997 -7.191 -1.163 1.00 0.00 H new ATOM 0 HE1 MET A 183 -6.906 -8.483 1.717 1.00 0.00 H new ATOM 0 HE2 MET A 183 -5.963 -7.144 1.021 1.00 0.00 H new ATOM 0 HE3 MET A 183 -7.324 -7.841 0.111 1.00 0.00 H new ATOM 782 N CYS A 184 -4.037 -8.637 -4.718 1.00 0.00 N ATOM 783 CA CYS A 184 -3.265 -9.138 -5.905 1.00 0.00 C ATOM 784 C CYS A 184 -4.003 -10.359 -6.469 1.00 0.00 C ATOM 785 O CYS A 184 -5.172 -10.552 -6.200 1.00 0.00 O ATOM 786 CB CYS A 184 -1.800 -9.546 -5.550 1.00 0.00 C ATOM 787 SG CYS A 184 -1.224 -8.868 -3.989 1.00 0.00 S ATOM 0 H CYS A 184 -3.657 -8.910 -3.812 1.00 0.00 H new ATOM 0 HA CYS A 184 -3.201 -8.328 -6.632 1.00 0.00 H new ATOM 0 HB2 CYS A 184 -1.734 -10.633 -5.511 1.00 0.00 H new ATOM 0 HB3 CYS A 184 -1.136 -9.214 -6.348 1.00 0.00 H new ATOM 792 N VAL A 185 -3.334 -11.184 -7.240 1.00 0.00 N ATOM 793 CA VAL A 185 -4.000 -12.393 -7.808 1.00 0.00 C ATOM 794 C VAL A 185 -4.086 -13.476 -6.720 1.00 0.00 C ATOM 795 O VAL A 185 -3.263 -14.369 -6.648 1.00 0.00 O ATOM 796 CB VAL A 185 -3.194 -12.899 -9.015 1.00 0.00 C ATOM 797 CG1 VAL A 185 -1.757 -13.234 -8.590 1.00 0.00 C ATOM 798 CG2 VAL A 185 -3.863 -14.149 -9.600 1.00 0.00 C ATOM 0 H VAL A 185 -2.354 -11.069 -7.499 1.00 0.00 H new ATOM 0 HA VAL A 185 -5.008 -12.147 -8.142 1.00 0.00 H new ATOM 0 HB VAL A 185 -3.166 -12.116 -9.772 1.00 0.00 H new ATOM 0 HG11 VAL A 185 -1.196 -13.591 -9.454 1.00 0.00 H new ATOM 0 HG12 VAL A 185 -1.278 -12.340 -8.191 1.00 0.00 H new ATOM 0 HG13 VAL A 185 -1.776 -14.009 -7.824 1.00 0.00 H new ATOM 0 HG21 VAL A 185 -3.287 -14.503 -10.455 1.00 0.00 H new ATOM 0 HG22 VAL A 185 -3.902 -14.930 -8.841 1.00 0.00 H new ATOM 0 HG23 VAL A 185 -4.875 -13.904 -9.921 1.00 0.00 H new ATOM 808 N ASP A 186 -5.083 -13.397 -5.873 1.00 0.00 N ATOM 809 CA ASP A 186 -5.235 -14.409 -4.788 1.00 0.00 C ATOM 810 C ASP A 186 -5.774 -15.715 -5.374 1.00 0.00 C ATOM 811 O ASP A 186 -5.508 -16.788 -4.865 1.00 0.00 O ATOM 812 CB ASP A 186 -6.209 -13.881 -3.731 1.00 0.00 C ATOM 813 CG ASP A 186 -7.528 -13.489 -4.399 1.00 0.00 C ATOM 814 OD1 ASP A 186 -8.304 -14.380 -4.701 1.00 0.00 O ATOM 815 OD2 ASP A 186 -7.739 -12.305 -4.599 1.00 0.00 O ATOM 0 H ASP A 186 -5.800 -12.671 -5.889 1.00 0.00 H new ATOM 0 HA ASP A 186 -4.264 -14.595 -4.328 1.00 0.00 H new ATOM 0 HB2 ASP A 186 -6.386 -14.643 -2.972 1.00 0.00 H new ATOM 0 HB3 ASP A 186 -5.777 -13.019 -3.222 1.00 0.00 H new ATOM 820 N TRP A 187 -6.530 -15.631 -6.439 1.00 0.00 N ATOM 821 CA TRP A 187 -7.091 -16.867 -7.064 1.00 0.00 C ATOM 822 C TRP A 187 -7.200 -16.667 -8.577 1.00 0.00 C ATOM 823 O TRP A 187 -8.093 -15.951 -8.998 1.00 0.00 O ATOM 824 CB TRP A 187 -8.480 -17.145 -6.478 1.00 0.00 C ATOM 825 CG TRP A 187 -8.673 -18.618 -6.313 1.00 0.00 C ATOM 826 CD1 TRP A 187 -8.782 -19.507 -7.327 1.00 0.00 C ATOM 827 CD2 TRP A 187 -8.782 -19.387 -5.079 1.00 0.00 C ATOM 828 NE1 TRP A 187 -8.951 -20.774 -6.794 1.00 0.00 N ATOM 829 CE2 TRP A 187 -8.958 -20.751 -5.414 1.00 0.00 C ATOM 830 CE3 TRP A 187 -8.745 -19.038 -3.718 1.00 0.00 C ATOM 831 CZ2 TRP A 187 -9.092 -21.732 -4.430 1.00 0.00 C ATOM 832 CZ3 TRP A 187 -8.882 -20.023 -2.726 1.00 0.00 C ATOM 833 CH2 TRP A 187 -9.054 -21.367 -3.082 1.00 0.00 C ATOM 834 OXT TRP A 187 -6.387 -17.232 -9.290 1.00 0.00 O ATOM 0 H TRP A 187 -6.783 -14.759 -6.903 1.00 0.00 H new ATOM 0 HA TRP A 187 -6.435 -17.713 -6.859 1.00 0.00 H new ATOM 0 HB2 TRP A 187 -8.586 -16.645 -5.515 1.00 0.00 H new ATOM 0 HB3 TRP A 187 -9.250 -16.739 -7.134 1.00 0.00 H new ATOM 0 HD1 TRP A 187 -8.744 -19.268 -8.379 1.00 0.00 H new ATOM 0 HE1 TRP A 187 -9.057 -21.621 -7.353 1.00 0.00 H new ATOM 0 HE3 TRP A 187 -8.610 -18.005 -3.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 187 -9.224 -22.767 -4.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 187 -8.855 -19.743 -1.683 1.00 0.00 H new ATOM 0 HH2 TRP A 187 -9.157 -22.120 -2.315 1.00 0.00 H new TER 845 TRP A 187 HETATM 846 ZN ZN A 1 -4.052 6.534 -0.161 1.00 0.00 ZN HETATM 847 ZN ZN A 2 0.093 -7.007 -3.852 1.00 0.00 ZN