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 145 THR OG1 : rot 160:sc= -1.33 USER MOD Set 1.2: A 161 ASN : amide:sc= -6.04! C(o=-7.4!,f=-9!) USER MOD Single : A 137 THR OG1 : rot 22:sc= 1.2 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc=-0.00222 (180deg=-0.00222) USER MOD Single : A 148 LYS NZ :NH3+ -162:sc=-0.00886 (180deg=-0.154) USER MOD Single : A 156 GLN : amide:sc= -0.0815 K(o=-0.082,f=-1) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 GLN : amide:sc= -0.0527 X(o=-0.053,f=0) USER MOD Single : A 167 THR OG1 : rot 140: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= -0.602 K(o=-0.6,f=-2!) USER MOD Single : A 177 SER OG : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= -0.316 USER MOD Single : A 179 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 THR OG1 : rot -22:sc= 0.547! USER MOD Single : A 183 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 136 1.998 -17.441 -6.341 1.00 0.00 N ATOM 2 CA LEU A 136 2.504 -16.994 -7.670 1.00 0.00 C ATOM 3 C LEU A 136 2.173 -15.509 -7.864 1.00 0.00 C ATOM 4 O LEU A 136 1.271 -15.152 -8.595 1.00 0.00 O ATOM 5 CB LEU A 136 1.845 -17.838 -8.776 1.00 0.00 C ATOM 6 CG LEU A 136 2.916 -18.533 -9.635 1.00 0.00 C ATOM 7 CD1 LEU A 136 3.804 -17.484 -10.309 1.00 0.00 C ATOM 8 CD2 LEU A 136 3.779 -19.443 -8.752 1.00 0.00 C ATOM 0 HA LEU A 136 3.585 -17.126 -7.721 1.00 0.00 H new ATOM 0 HB2 LEU A 136 1.188 -18.584 -8.329 1.00 0.00 H new ATOM 0 HB3 LEU A 136 1.223 -17.202 -9.405 1.00 0.00 H new ATOM 0 HG LEU A 136 2.423 -19.133 -10.400 1.00 0.00 H new ATOM 0 HD11 LEU A 136 4.560 -17.983 -10.916 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.192 -16.844 -10.945 1.00 0.00 H new ATOM 0 HD13 LEU A 136 4.293 -16.877 -9.547 1.00 0.00 H new ATOM 0 HD21 LEU A 136 4.536 -19.933 -9.365 1.00 0.00 H new ATOM 0 HD22 LEU A 136 4.267 -18.846 -7.981 1.00 0.00 H new ATOM 0 HD23 LEU A 136 3.149 -20.198 -8.282 1.00 0.00 H new ATOM 22 N THR A 137 2.903 -14.644 -7.202 1.00 0.00 N ATOM 23 CA THR A 137 2.665 -13.167 -7.319 1.00 0.00 C ATOM 24 C THR A 137 1.175 -12.834 -7.141 1.00 0.00 C ATOM 25 O THR A 137 0.475 -12.544 -8.095 1.00 0.00 O ATOM 26 CB THR A 137 3.143 -12.669 -8.691 1.00 0.00 C ATOM 27 OG1 THR A 137 2.340 -13.238 -9.714 1.00 0.00 O ATOM 28 CG2 THR A 137 4.605 -13.068 -8.904 1.00 0.00 C ATOM 0 H THR A 137 3.666 -14.901 -6.576 1.00 0.00 H new ATOM 0 HA THR A 137 3.228 -12.667 -6.531 1.00 0.00 H new ATOM 0 HB THR A 137 3.057 -11.583 -8.728 1.00 0.00 H new ATOM 0 HG1 THR A 137 1.481 -13.521 -9.336 1.00 0.00 H new ATOM 0 HG21 THR A 137 4.941 -12.713 -9.878 1.00 0.00 H new ATOM 0 HG22 THR A 137 5.221 -12.622 -8.123 1.00 0.00 H new ATOM 0 HG23 THR A 137 4.696 -14.153 -8.862 1.00 0.00 H new ATOM 36 N THR A 138 0.695 -12.866 -5.923 1.00 0.00 N ATOM 37 CA THR A 138 -0.741 -12.541 -5.670 1.00 0.00 C ATOM 38 C THR A 138 -0.828 -11.128 -5.088 1.00 0.00 C ATOM 39 O THR A 138 -1.298 -10.211 -5.734 1.00 0.00 O ATOM 40 CB THR A 138 -1.335 -13.549 -4.681 1.00 0.00 C ATOM 41 OG1 THR A 138 -0.602 -14.767 -4.746 1.00 0.00 O ATOM 42 CG2 THR A 138 -2.798 -13.814 -5.037 1.00 0.00 C ATOM 0 H THR A 138 1.237 -13.104 -5.092 1.00 0.00 H new ATOM 0 HA THR A 138 -1.303 -12.593 -6.602 1.00 0.00 H new ATOM 0 HB THR A 138 -1.276 -13.143 -3.671 1.00 0.00 H new ATOM 0 HG1 THR A 138 -0.981 -15.411 -4.112 1.00 0.00 H new ATOM 0 HG21 THR A 138 -3.220 -14.531 -4.333 1.00 0.00 H new ATOM 0 HG22 THR A 138 -3.360 -12.881 -4.985 1.00 0.00 H new ATOM 0 HG23 THR A 138 -2.859 -14.219 -6.047 1.00 0.00 H new ATOM 50 N HIS A 139 -0.354 -10.944 -3.881 1.00 0.00 N ATOM 51 CA HIS A 139 -0.378 -9.589 -3.261 1.00 0.00 C ATOM 52 C HIS A 139 0.879 -9.422 -2.379 1.00 0.00 C ATOM 53 O HIS A 139 1.076 -10.130 -1.414 1.00 0.00 O ATOM 54 CB HIS A 139 -1.655 -9.408 -2.418 1.00 0.00 C ATOM 55 CG HIS A 139 -2.489 -8.197 -2.873 1.00 0.00 C ATOM 56 ND1 HIS A 139 -1.999 -7.147 -3.695 1.00 0.00 N ATOM 57 CD2 HIS A 139 -3.798 -7.858 -2.607 1.00 0.00 C ATOM 58 CE1 HIS A 139 -3.012 -6.284 -3.869 1.00 0.00 C ATOM 59 NE2 HIS A 139 -4.115 -6.678 -3.227 1.00 0.00 N ATOM 0 H HIS A 139 0.049 -11.678 -3.299 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.379 -8.829 -4.042 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -2.263 -10.310 -2.485 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -1.381 -9.285 -1.370 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -4.476 -8.438 -1.998 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -2.944 -5.381 -4.457 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -5.014 -6.197 -3.203 1.00 0.00 H new ATOM 67 N ASN A 140 1.710 -8.464 -2.709 1.00 0.00 N ATOM 68 CA ASN A 140 2.950 -8.175 -1.930 1.00 0.00 C ATOM 69 C ASN A 140 2.939 -6.699 -1.542 1.00 0.00 C ATOM 70 O ASN A 140 2.642 -5.879 -2.368 1.00 0.00 O ATOM 71 CB ASN A 140 4.154 -8.376 -2.846 1.00 0.00 C ATOM 72 CG ASN A 140 4.685 -9.804 -2.704 1.00 0.00 C ATOM 73 OD1 ASN A 140 4.138 -10.727 -3.275 1.00 0.00 O ATOM 74 ND2 ASN A 140 5.735 -10.026 -1.961 1.00 0.00 N ATOM 0 H ASN A 140 1.573 -7.852 -3.513 1.00 0.00 H new ATOM 0 HA ASN A 140 2.999 -8.822 -1.055 1.00 0.00 H new ATOM 0 HB2 ASN A 140 3.870 -8.186 -3.881 1.00 0.00 H new ATOM 0 HB3 ASN A 140 4.937 -7.661 -2.594 1.00 0.00 H new ATOM 0 HD21 ASN A 140 6.097 -10.974 -1.859 1.00 0.00 H new ATOM 0 HD22 ASN A 140 6.194 -9.251 -1.482 1.00 0.00 H new ATOM 81 N PHE A 141 3.274 -6.338 -0.329 1.00 0.00 N ATOM 82 CA PHE A 141 3.307 -4.876 0.006 1.00 0.00 C ATOM 83 C PHE A 141 4.179 -4.607 1.238 1.00 0.00 C ATOM 84 O PHE A 141 4.137 -5.324 2.219 1.00 0.00 O ATOM 85 CB PHE A 141 1.884 -4.302 0.155 1.00 0.00 C ATOM 86 CG PHE A 141 1.213 -4.677 1.463 1.00 0.00 C ATOM 87 CD1 PHE A 141 1.475 -5.896 2.101 1.00 0.00 C ATOM 88 CD2 PHE A 141 0.301 -3.778 2.025 1.00 0.00 C ATOM 89 CE1 PHE A 141 0.826 -6.209 3.303 1.00 0.00 C ATOM 90 CE2 PHE A 141 -0.348 -4.089 3.224 1.00 0.00 C ATOM 91 CZ PHE A 141 -0.085 -5.305 3.865 1.00 0.00 C ATOM 0 H PHE A 141 3.521 -6.973 0.430 1.00 0.00 H new ATOM 0 HA PHE A 141 3.771 -4.350 -0.828 1.00 0.00 H new ATOM 0 HB2 PHE A 141 1.929 -3.216 0.078 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.270 -4.655 -0.673 1.00 0.00 H new ATOM 0 HD1 PHE A 141 2.176 -6.594 1.667 1.00 0.00 H new ATOM 0 HD2 PHE A 141 0.097 -2.840 1.531 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.028 -7.148 3.797 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -1.051 -3.392 3.655 1.00 0.00 H new ATOM 0 HZ PHE A 141 -0.584 -5.546 4.792 1.00 0.00 H new ATOM 101 N ALA A 142 4.978 -3.572 1.174 1.00 0.00 N ATOM 102 CA ALA A 142 5.873 -3.223 2.317 1.00 0.00 C ATOM 103 C ALA A 142 6.067 -1.706 2.347 1.00 0.00 C ATOM 104 O ALA A 142 5.426 -0.982 1.612 1.00 0.00 O ATOM 105 CB ALA A 142 7.227 -3.910 2.129 1.00 0.00 C ATOM 0 H ALA A 142 5.048 -2.948 0.370 1.00 0.00 H new ATOM 0 HA ALA A 142 5.428 -3.556 3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 142 7.882 -3.657 2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 142 7.085 -4.990 2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 142 7.679 -3.573 1.196 1.00 0.00 H new ATOM 111 N ARG A 143 6.941 -1.218 3.191 1.00 0.00 N ATOM 112 CA ARG A 143 7.170 0.257 3.266 1.00 0.00 C ATOM 113 C ARG A 143 8.432 0.632 2.483 1.00 0.00 C ATOM 114 O ARG A 143 9.491 0.070 2.690 1.00 0.00 O ATOM 115 CB ARG A 143 7.340 0.679 4.728 1.00 0.00 C ATOM 116 CG ARG A 143 7.122 2.189 4.847 1.00 0.00 C ATOM 117 CD ARG A 143 7.366 2.632 6.290 1.00 0.00 C ATOM 118 NE ARG A 143 7.647 4.095 6.317 1.00 0.00 N ATOM 119 CZ ARG A 143 7.475 4.772 7.419 1.00 0.00 C ATOM 120 NH1 ARG A 143 6.294 4.831 7.972 1.00 0.00 N ATOM 121 NH2 ARG A 143 8.482 5.394 7.967 1.00 0.00 N ATOM 0 H ARG A 143 7.505 -1.777 3.831 1.00 0.00 H new ATOM 0 HA ARG A 143 6.311 0.770 2.834 1.00 0.00 H new ATOM 0 HB2 ARG A 143 6.627 0.146 5.358 1.00 0.00 H new ATOM 0 HB3 ARG A 143 8.337 0.415 5.081 1.00 0.00 H new ATOM 0 HG2 ARG A 143 7.798 2.718 4.175 1.00 0.00 H new ATOM 0 HG3 ARG A 143 6.106 2.445 4.545 1.00 0.00 H new ATOM 0 HD2 ARG A 143 6.494 2.406 6.904 1.00 0.00 H new ATOM 0 HD3 ARG A 143 8.205 2.081 6.714 1.00 0.00 H new ATOM 0 HE ARG A 143 7.974 4.567 5.474 1.00 0.00 H new ATOM 0 HH11 ARG A 143 5.505 4.348 7.543 1.00 0.00 H new ATOM 0 HH12 ARG A 143 6.160 5.360 8.834 1.00 0.00 H new ATOM 0 HH21 ARG A 143 9.405 5.351 7.534 1.00 0.00 H new ATOM 0 HH22 ARG A 143 8.347 5.923 8.829 1.00 0.00 H new ATOM 135 N LYS A 144 8.322 1.585 1.593 1.00 0.00 N ATOM 136 CA LYS A 144 9.506 2.016 0.794 1.00 0.00 C ATOM 137 C LYS A 144 9.125 3.220 -0.072 1.00 0.00 C ATOM 138 O LYS A 144 8.028 3.737 0.019 1.00 0.00 O ATOM 139 CB LYS A 144 9.979 0.858 -0.098 1.00 0.00 C ATOM 140 CG LYS A 144 8.862 0.444 -1.072 1.00 0.00 C ATOM 141 CD LYS A 144 8.573 -1.054 -0.936 1.00 0.00 C ATOM 142 CE LYS A 144 9.808 -1.859 -1.347 1.00 0.00 C ATOM 143 NZ LYS A 144 9.716 -2.203 -2.794 1.00 0.00 N ATOM 0 H LYS A 144 7.458 2.085 1.385 1.00 0.00 H new ATOM 0 HA LYS A 144 10.316 2.299 1.467 1.00 0.00 H new ATOM 0 HB2 LYS A 144 10.865 1.159 -0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 144 10.266 0.007 0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 144 7.958 1.017 -0.865 1.00 0.00 H new ATOM 0 HG3 LYS A 144 9.158 0.674 -2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 144 8.300 -1.289 0.093 1.00 0.00 H new ATOM 0 HD3 LYS A 144 7.724 -1.328 -1.562 1.00 0.00 H new ATOM 0 HE2 LYS A 144 10.712 -1.281 -1.156 1.00 0.00 H new ATOM 0 HE3 LYS A 144 9.878 -2.768 -0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 10.555 -2.750 -3.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 8.860 -2.770 -2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 9.669 -1.329 -3.356 1.00 0.00 H new ATOM 157 N THR A 145 10.023 3.663 -0.915 1.00 0.00 N ATOM 158 CA THR A 145 9.720 4.828 -1.796 1.00 0.00 C ATOM 159 C THR A 145 9.607 4.347 -3.245 1.00 0.00 C ATOM 160 O THR A 145 10.051 3.266 -3.583 1.00 0.00 O ATOM 161 CB THR A 145 10.848 5.857 -1.680 1.00 0.00 C ATOM 162 OG1 THR A 145 11.026 6.212 -0.317 1.00 0.00 O ATOM 163 CG2 THR A 145 10.492 7.103 -2.491 1.00 0.00 C ATOM 0 H THR A 145 10.955 3.266 -1.030 1.00 0.00 H new ATOM 0 HA THR A 145 8.780 5.288 -1.492 1.00 0.00 H new ATOM 0 HB THR A 145 11.772 5.427 -2.067 1.00 0.00 H new ATOM 0 HG1 THR A 145 11.917 6.601 -0.194 1.00 0.00 H new ATOM 0 HG21 THR A 145 11.296 7.834 -2.407 1.00 0.00 H new ATOM 0 HG22 THR A 145 10.358 6.830 -3.538 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.568 7.535 -2.107 1.00 0.00 H new ATOM 171 N PHE A 146 9.001 5.134 -4.095 1.00 0.00 N ATOM 172 CA PHE A 146 8.836 4.721 -5.529 1.00 0.00 C ATOM 173 C PHE A 146 10.041 5.187 -6.345 1.00 0.00 C ATOM 174 O PHE A 146 11.001 5.712 -5.813 1.00 0.00 O ATOM 175 CB PHE A 146 7.555 5.340 -6.113 1.00 0.00 C ATOM 176 CG PHE A 146 6.460 5.316 -5.073 1.00 0.00 C ATOM 177 CD1 PHE A 146 6.066 4.100 -4.508 1.00 0.00 C ATOM 178 CD2 PHE A 146 5.873 6.509 -4.649 1.00 0.00 C ATOM 179 CE1 PHE A 146 5.081 4.078 -3.519 1.00 0.00 C ATOM 180 CE2 PHE A 146 4.884 6.485 -3.664 1.00 0.00 C ATOM 181 CZ PHE A 146 4.490 5.268 -3.096 1.00 0.00 C ATOM 0 H PHE A 146 8.611 6.047 -3.862 1.00 0.00 H new ATOM 0 HA PHE A 146 8.764 3.634 -5.575 1.00 0.00 H new ATOM 0 HB2 PHE A 146 7.746 6.365 -6.430 1.00 0.00 H new ATOM 0 HB3 PHE A 146 7.242 4.786 -6.998 1.00 0.00 H new ATOM 0 HD1 PHE A 146 6.523 3.178 -4.836 1.00 0.00 H new ATOM 0 HD2 PHE A 146 6.183 7.449 -5.082 1.00 0.00 H new ATOM 0 HE1 PHE A 146 4.777 3.139 -3.081 1.00 0.00 H new ATOM 0 HE2 PHE A 146 4.423 7.406 -3.340 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.728 5.251 -2.330 1.00 0.00 H new ATOM 191 N LEU A 147 9.994 4.994 -7.639 1.00 0.00 N ATOM 192 CA LEU A 147 11.129 5.416 -8.511 1.00 0.00 C ATOM 193 C LEU A 147 11.190 6.944 -8.572 1.00 0.00 C ATOM 194 O LEU A 147 12.249 7.533 -8.469 1.00 0.00 O ATOM 195 CB LEU A 147 10.920 4.855 -9.921 1.00 0.00 C ATOM 196 CG LEU A 147 12.169 5.115 -10.764 1.00 0.00 C ATOM 197 CD1 LEU A 147 13.123 3.925 -10.644 1.00 0.00 C ATOM 198 CD2 LEU A 147 11.763 5.296 -12.229 1.00 0.00 C ATOM 0 H LEU A 147 9.213 4.560 -8.130 1.00 0.00 H new ATOM 0 HA LEU A 147 12.064 5.035 -8.101 1.00 0.00 H new ATOM 0 HB2 LEU A 147 10.718 3.785 -9.872 1.00 0.00 H new ATOM 0 HB3 LEU A 147 10.051 5.323 -10.385 1.00 0.00 H new ATOM 0 HG LEU A 147 12.667 6.017 -10.408 1.00 0.00 H new ATOM 0 HD11 LEU A 147 14.013 4.110 -11.245 1.00 0.00 H new ATOM 0 HD12 LEU A 147 13.410 3.793 -9.601 1.00 0.00 H new ATOM 0 HD13 LEU A 147 12.626 3.023 -11.001 1.00 0.00 H new ATOM 0 HD21 LEU A 147 12.651 5.482 -12.833 1.00 0.00 H new ATOM 0 HD22 LEU A 147 11.266 4.393 -12.583 1.00 0.00 H new ATOM 0 HD23 LEU A 147 11.082 6.143 -12.316 1.00 0.00 H new ATOM 210 N LYS A 148 10.062 7.586 -8.744 1.00 0.00 N ATOM 211 CA LYS A 148 10.048 9.077 -8.814 1.00 0.00 C ATOM 212 C LYS A 148 8.713 9.606 -8.285 1.00 0.00 C ATOM 213 O LYS A 148 8.624 10.085 -7.169 1.00 0.00 O ATOM 214 CB LYS A 148 10.243 9.521 -10.267 1.00 0.00 C ATOM 215 CG LYS A 148 11.685 9.246 -10.697 1.00 0.00 C ATOM 216 CD LYS A 148 12.003 10.051 -11.958 1.00 0.00 C ATOM 217 CE LYS A 148 13.517 10.228 -12.082 1.00 0.00 C ATOM 218 NZ LYS A 148 13.975 11.280 -11.133 1.00 0.00 N ATOM 0 H LYS A 148 9.149 7.140 -8.839 1.00 0.00 H new ATOM 0 HA LYS A 148 10.857 9.477 -8.203 1.00 0.00 H new ATOM 0 HB2 LYS A 148 9.550 8.987 -10.917 1.00 0.00 H new ATOM 0 HB3 LYS A 148 10.019 10.583 -10.367 1.00 0.00 H new ATOM 0 HG2 LYS A 148 12.373 9.518 -9.896 1.00 0.00 H new ATOM 0 HG3 LYS A 148 11.822 8.182 -10.888 1.00 0.00 H new ATOM 0 HD2 LYS A 148 11.613 9.539 -12.837 1.00 0.00 H new ATOM 0 HD3 LYS A 148 11.515 11.025 -11.914 1.00 0.00 H new ATOM 0 HE2 LYS A 148 14.022 9.286 -11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 148 13.779 10.506 -13.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 14.917 11.617 -11.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 13.305 12.075 -11.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 14.023 10.884 -10.173 1.00 0.00 H new ATOM 232 N LEU A 149 7.677 9.525 -9.080 1.00 0.00 N ATOM 233 CA LEU A 149 6.342 10.023 -8.635 1.00 0.00 C ATOM 234 C LEU A 149 5.295 8.923 -8.841 1.00 0.00 C ATOM 235 O LEU A 149 5.428 8.085 -9.713 1.00 0.00 O ATOM 236 CB LEU A 149 5.963 11.269 -9.453 1.00 0.00 C ATOM 237 CG LEU A 149 5.624 12.442 -8.520 1.00 0.00 C ATOM 238 CD1 LEU A 149 4.432 12.074 -7.631 1.00 0.00 C ATOM 239 CD2 LEU A 149 6.834 12.775 -7.640 1.00 0.00 C ATOM 0 H LEU A 149 7.699 9.134 -10.022 1.00 0.00 H new ATOM 0 HA LEU A 149 6.381 10.287 -7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 149 6.788 11.545 -10.109 1.00 0.00 H new ATOM 0 HB3 LEU A 149 5.108 11.046 -10.092 1.00 0.00 H new ATOM 0 HG LEU A 149 5.368 13.312 -9.125 1.00 0.00 H new ATOM 0 HD11 LEU A 149 4.197 12.910 -6.972 1.00 0.00 H new ATOM 0 HD12 LEU A 149 3.567 11.851 -8.256 1.00 0.00 H new ATOM 0 HD13 LEU A 149 4.682 11.199 -7.031 1.00 0.00 H new ATOM 0 HD21 LEU A 149 6.587 13.607 -6.981 1.00 0.00 H new ATOM 0 HD22 LEU A 149 7.099 11.904 -7.041 1.00 0.00 H new ATOM 0 HD23 LEU A 149 7.678 13.051 -8.272 1.00 0.00 H new ATOM 251 N ALA A 150 4.261 8.923 -8.040 1.00 0.00 N ATOM 252 CA ALA A 150 3.201 7.883 -8.173 1.00 0.00 C ATOM 253 C ALA A 150 1.823 8.544 -8.037 1.00 0.00 C ATOM 254 O ALA A 150 1.705 9.754 -8.080 1.00 0.00 O ATOM 255 CB ALA A 150 3.393 6.830 -7.076 1.00 0.00 C ATOM 0 H ALA A 150 4.106 9.603 -7.296 1.00 0.00 H new ATOM 0 HA ALA A 150 3.269 7.401 -9.148 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.621 6.066 -7.166 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.375 6.369 -7.182 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.320 7.306 -6.098 1.00 0.00 H new ATOM 261 N PHE A 151 0.785 7.762 -7.875 1.00 0.00 N ATOM 262 CA PHE A 151 -0.589 8.337 -7.735 1.00 0.00 C ATOM 263 C PHE A 151 -1.502 7.306 -7.056 1.00 0.00 C ATOM 264 O PHE A 151 -1.651 6.198 -7.537 1.00 0.00 O ATOM 265 CB PHE A 151 -1.155 8.650 -9.119 1.00 0.00 C ATOM 266 CG PHE A 151 -0.529 9.900 -9.692 1.00 0.00 C ATOM 267 CD1 PHE A 151 -1.064 11.157 -9.384 1.00 0.00 C ATOM 268 CD2 PHE A 151 0.576 9.801 -10.547 1.00 0.00 C ATOM 269 CE1 PHE A 151 -0.491 12.313 -9.925 1.00 0.00 C ATOM 270 CE2 PHE A 151 1.149 10.958 -11.089 1.00 0.00 C ATOM 271 CZ PHE A 151 0.615 12.216 -10.778 1.00 0.00 C ATOM 0 H PHE A 151 0.830 6.744 -7.833 1.00 0.00 H new ATOM 0 HA PHE A 151 -0.539 9.248 -7.138 1.00 0.00 H new ATOM 0 HB2 PHE A 151 -0.974 7.809 -9.788 1.00 0.00 H new ATOM 0 HB3 PHE A 151 -2.235 8.778 -9.053 1.00 0.00 H new ATOM 0 HD1 PHE A 151 -1.919 11.234 -8.729 1.00 0.00 H new ATOM 0 HD2 PHE A 151 0.986 8.832 -10.788 1.00 0.00 H new ATOM 0 HE1 PHE A 151 -0.903 13.282 -9.684 1.00 0.00 H new ATOM 0 HE2 PHE A 151 2.002 10.881 -11.747 1.00 0.00 H new ATOM 0 HZ PHE A 151 1.056 13.109 -11.196 1.00 0.00 H new ATOM 281 N CYS A 152 -2.102 7.649 -5.940 1.00 0.00 N ATOM 282 CA CYS A 152 -2.991 6.668 -5.235 1.00 0.00 C ATOM 283 C CYS A 152 -4.256 6.370 -6.034 1.00 0.00 C ATOM 284 O CYS A 152 -5.164 7.181 -6.094 1.00 0.00 O ATOM 285 CB CYS A 152 -3.441 7.214 -3.886 1.00 0.00 C ATOM 286 SG CYS A 152 -3.687 5.811 -2.768 1.00 0.00 S ATOM 0 H CYS A 152 -2.016 8.560 -5.489 1.00 0.00 H new ATOM 0 HA CYS A 152 -2.400 5.760 -5.115 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -2.693 7.896 -3.482 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -4.365 7.782 -3.994 1.00 0.00 H new ATOM 291 N ASP A 153 -4.355 5.190 -6.586 1.00 0.00 N ATOM 292 CA ASP A 153 -5.597 4.817 -7.330 1.00 0.00 C ATOM 293 C ASP A 153 -6.791 4.731 -6.353 1.00 0.00 C ATOM 294 O ASP A 153 -7.931 4.647 -6.769 1.00 0.00 O ATOM 295 CB ASP A 153 -5.395 3.459 -8.003 1.00 0.00 C ATOM 296 CG ASP A 153 -4.926 3.666 -9.446 1.00 0.00 C ATOM 297 OD1 ASP A 153 -5.758 3.989 -10.277 1.00 0.00 O ATOM 298 OD2 ASP A 153 -3.743 3.498 -9.693 1.00 0.00 O ATOM 0 H ASP A 153 -3.633 4.470 -6.555 1.00 0.00 H new ATOM 0 HA ASP A 153 -5.805 5.576 -8.084 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -4.659 2.874 -7.451 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -6.327 2.893 -7.990 1.00 0.00 H new ATOM 303 N ILE A 154 -6.539 4.741 -5.060 1.00 0.00 N ATOM 304 CA ILE A 154 -7.647 4.650 -4.055 1.00 0.00 C ATOM 305 C ILE A 154 -8.097 6.054 -3.643 1.00 0.00 C ATOM 306 O ILE A 154 -9.237 6.256 -3.262 1.00 0.00 O ATOM 307 CB ILE A 154 -7.107 3.935 -2.802 1.00 0.00 C ATOM 308 CG1 ILE A 154 -6.666 2.489 -3.205 1.00 0.00 C ATOM 309 CG2 ILE A 154 -8.156 3.960 -1.651 1.00 0.00 C ATOM 310 CD1 ILE A 154 -7.036 1.425 -2.151 1.00 0.00 C ATOM 0 H ILE A 154 -5.604 4.809 -4.658 1.00 0.00 H new ATOM 0 HA ILE A 154 -8.487 4.108 -4.490 1.00 0.00 H new ATOM 0 HB ILE A 154 -6.234 4.457 -2.411 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -7.130 2.226 -4.156 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.588 2.476 -3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -7.750 3.449 -0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -8.387 4.993 -1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -9.066 3.455 -1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -6.703 0.445 -2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -6.550 1.665 -1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -8.117 1.412 -2.011 1.00 0.00 H new ATOM 322 N CYS A 155 -7.202 7.004 -3.655 1.00 0.00 N ATOM 323 CA CYS A 155 -7.571 8.362 -3.192 1.00 0.00 C ATOM 324 C CYS A 155 -7.888 9.290 -4.367 1.00 0.00 C ATOM 325 O CYS A 155 -9.031 9.403 -4.755 1.00 0.00 O ATOM 326 CB CYS A 155 -6.430 8.895 -2.347 1.00 0.00 C ATOM 327 SG CYS A 155 -6.301 7.881 -0.846 1.00 0.00 S ATOM 0 H CYS A 155 -6.236 6.895 -3.965 1.00 0.00 H new ATOM 0 HA CYS A 155 -8.480 8.315 -2.593 1.00 0.00 H new ATOM 0 HB2 CYS A 155 -5.496 8.862 -2.908 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -6.608 9.938 -2.085 1.00 0.00 H new ATOM 332 N GLN A 156 -6.905 9.952 -4.936 1.00 0.00 N ATOM 333 CA GLN A 156 -7.174 10.878 -6.094 1.00 0.00 C ATOM 334 C GLN A 156 -5.930 11.703 -6.463 1.00 0.00 C ATOM 335 O GLN A 156 -5.862 12.238 -7.556 1.00 0.00 O ATOM 336 CB GLN A 156 -8.325 11.851 -5.761 1.00 0.00 C ATOM 337 CG GLN A 156 -9.618 11.397 -6.455 1.00 0.00 C ATOM 338 CD GLN A 156 -9.842 12.224 -7.724 1.00 0.00 C ATOM 339 OE1 GLN A 156 -8.909 12.772 -8.279 1.00 0.00 O ATOM 340 NE2 GLN A 156 -11.047 12.340 -8.209 1.00 0.00 N ATOM 0 H GLN A 156 -5.927 9.893 -4.651 1.00 0.00 H new ATOM 0 HA GLN A 156 -7.449 10.249 -6.941 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -8.477 11.891 -4.682 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -8.064 12.859 -6.084 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -9.555 10.338 -6.706 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -10.465 11.514 -5.779 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -11.830 11.881 -7.744 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -11.206 12.890 -9.053 1.00 0.00 H new ATOM 349 N LYS A 157 -4.960 11.841 -5.584 1.00 0.00 N ATOM 350 CA LYS A 157 -3.764 12.659 -5.932 1.00 0.00 C ATOM 351 C LYS A 157 -2.508 11.790 -5.896 1.00 0.00 C ATOM 352 O LYS A 157 -2.559 10.621 -5.595 1.00 0.00 O ATOM 353 CB LYS A 157 -3.627 13.820 -4.936 1.00 0.00 C ATOM 354 CG LYS A 157 -3.429 13.283 -3.509 1.00 0.00 C ATOM 355 CD LYS A 157 -4.285 14.089 -2.528 1.00 0.00 C ATOM 356 CE LYS A 157 -3.548 14.221 -1.194 1.00 0.00 C ATOM 357 NZ LYS A 157 -4.351 15.063 -0.263 1.00 0.00 N ATOM 0 H LYS A 157 -4.950 11.425 -4.653 1.00 0.00 H new ATOM 0 HA LYS A 157 -3.885 13.061 -6.938 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -2.782 14.449 -5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -4.517 14.447 -4.975 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -3.705 12.229 -3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -2.378 13.349 -3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -4.495 15.077 -2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -5.245 13.596 -2.377 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -3.383 13.235 -0.759 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -2.567 14.669 -1.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -3.850 15.153 0.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -4.487 16.007 -0.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -5.277 14.618 -0.104 1.00 0.00 H new ATOM 371 N PHE A 158 -1.393 12.379 -6.226 1.00 0.00 N ATOM 372 CA PHE A 158 -0.080 11.662 -6.256 1.00 0.00 C ATOM 373 C PHE A 158 0.107 10.695 -5.060 1.00 0.00 C ATOM 374 O PHE A 158 -0.613 10.734 -4.082 1.00 0.00 O ATOM 375 CB PHE A 158 1.023 12.737 -6.199 1.00 0.00 C ATOM 376 CG PHE A 158 1.098 13.283 -4.788 1.00 0.00 C ATOM 377 CD1 PHE A 158 0.048 14.057 -4.284 1.00 0.00 C ATOM 378 CD2 PHE A 158 2.182 12.953 -3.972 1.00 0.00 C ATOM 379 CE1 PHE A 158 0.087 14.511 -2.965 1.00 0.00 C ATOM 380 CE2 PHE A 158 2.220 13.400 -2.650 1.00 0.00 C ATOM 381 CZ PHE A 158 1.173 14.180 -2.143 1.00 0.00 C ATOM 0 H PHE A 158 -1.333 13.363 -6.486 1.00 0.00 H new ATOM 0 HA PHE A 158 -0.035 11.058 -7.162 1.00 0.00 H new ATOM 0 HB2 PHE A 158 1.982 12.309 -6.490 1.00 0.00 H new ATOM 0 HB3 PHE A 158 0.805 13.540 -6.903 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.793 14.303 -4.915 1.00 0.00 H new ATOM 0 HD2 PHE A 158 2.990 12.353 -4.363 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -0.719 15.117 -2.578 1.00 0.00 H new ATOM 0 HE2 PHE A 158 3.057 13.144 -2.018 1.00 0.00 H new ATOM 0 HZ PHE A 158 1.202 14.526 -1.120 1.00 0.00 H new ATOM 391 N LEU A 159 1.126 9.886 -5.137 1.00 0.00 N ATOM 392 CA LEU A 159 1.466 8.956 -4.023 1.00 0.00 C ATOM 393 C LEU A 159 2.871 9.327 -3.537 1.00 0.00 C ATOM 394 O LEU A 159 3.722 9.700 -4.324 1.00 0.00 O ATOM 395 CB LEU A 159 1.480 7.506 -4.538 1.00 0.00 C ATOM 396 CG LEU A 159 0.917 6.549 -3.475 1.00 0.00 C ATOM 397 CD1 LEU A 159 1.738 6.635 -2.187 1.00 0.00 C ATOM 398 CD2 LEU A 159 -0.534 6.911 -3.175 1.00 0.00 C ATOM 0 H LEU A 159 1.750 9.829 -5.941 1.00 0.00 H new ATOM 0 HA LEU A 159 0.733 9.036 -3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.889 7.433 -5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 159 2.499 7.215 -4.794 1.00 0.00 H new ATOM 0 HG LEU A 159 0.971 5.531 -3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 159 1.325 5.951 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 159 2.772 6.362 -2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 159 1.702 7.653 -1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -0.930 6.231 -2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -0.584 7.934 -2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -1.126 6.827 -4.086 1.00 0.00 H new ATOM 410 N LEU A 160 3.122 9.237 -2.258 1.00 0.00 N ATOM 411 CA LEU A 160 4.460 9.588 -1.729 1.00 0.00 C ATOM 412 C LEU A 160 5.067 8.354 -1.067 1.00 0.00 C ATOM 413 O LEU A 160 4.483 7.290 -1.092 1.00 0.00 O ATOM 414 CB LEU A 160 4.299 10.699 -0.693 1.00 0.00 C ATOM 415 CG LEU A 160 3.270 10.281 0.368 1.00 0.00 C ATOM 416 CD1 LEU A 160 3.754 10.715 1.754 1.00 0.00 C ATOM 417 CD2 LEU A 160 1.926 10.952 0.070 1.00 0.00 C ATOM 0 H LEU A 160 2.448 8.932 -1.556 1.00 0.00 H new ATOM 0 HA LEU A 160 5.112 9.927 -2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 160 5.258 10.908 -0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 160 3.978 11.619 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 160 3.152 9.198 0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 160 3.022 10.417 2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.710 10.239 1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 160 3.875 11.798 1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 160 1.196 10.655 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 160 2.048 12.035 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 160 1.576 10.644 -0.915 1.00 0.00 H new ATOM 429 N ASN A 161 6.236 8.479 -0.475 1.00 0.00 N ATOM 430 CA ASN A 161 6.887 7.297 0.189 1.00 0.00 C ATOM 431 C ASN A 161 5.882 6.611 1.126 1.00 0.00 C ATOM 432 O ASN A 161 5.671 7.042 2.245 1.00 0.00 O ATOM 433 CB ASN A 161 8.093 7.774 1.005 1.00 0.00 C ATOM 434 CG ASN A 161 9.112 8.447 0.081 1.00 0.00 C ATOM 435 OD1 ASN A 161 8.788 8.845 -1.021 1.00 0.00 O ATOM 436 ND2 ASN A 161 10.343 8.598 0.489 1.00 0.00 N ATOM 0 H ASN A 161 6.767 9.348 -0.423 1.00 0.00 H new ATOM 0 HA ASN A 161 7.213 6.590 -0.573 1.00 0.00 H new ATOM 0 HB2 ASN A 161 7.769 8.474 1.775 1.00 0.00 H new ATOM 0 HB3 ASN A 161 8.555 6.929 1.516 1.00 0.00 H new ATOM 0 HD21 ASN A 161 11.029 9.049 -0.116 1.00 0.00 H new ATOM 0 HD22 ASN A 161 10.618 8.265 1.413 1.00 0.00 H new ATOM 443 N GLY A 162 5.246 5.563 0.663 1.00 0.00 N ATOM 444 CA GLY A 162 4.234 4.866 1.510 1.00 0.00 C ATOM 445 C GLY A 162 4.392 3.352 1.381 1.00 0.00 C ATOM 446 O GLY A 162 5.383 2.786 1.799 1.00 0.00 O ATOM 0 H GLY A 162 5.385 5.162 -0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 162 4.353 5.164 2.552 1.00 0.00 H new ATOM 0 HA3 GLY A 162 3.230 5.161 1.207 1.00 0.00 H new ATOM 450 N PHE A 163 3.413 2.693 0.812 1.00 0.00 N ATOM 451 CA PHE A 163 3.494 1.212 0.661 1.00 0.00 C ATOM 452 C PHE A 163 3.068 0.806 -0.751 1.00 0.00 C ATOM 453 O PHE A 163 1.915 0.928 -1.121 1.00 0.00 O ATOM 454 CB PHE A 163 2.561 0.547 1.676 1.00 0.00 C ATOM 455 CG PHE A 163 3.136 0.682 3.065 1.00 0.00 C ATOM 456 CD1 PHE A 163 3.142 1.928 3.702 1.00 0.00 C ATOM 457 CD2 PHE A 163 3.661 -0.441 3.717 1.00 0.00 C ATOM 458 CE1 PHE A 163 3.673 2.053 4.992 1.00 0.00 C ATOM 459 CE2 PHE A 163 4.192 -0.316 5.005 1.00 0.00 C ATOM 460 CZ PHE A 163 4.199 0.930 5.644 1.00 0.00 C ATOM 0 H PHE A 163 2.562 3.119 0.446 1.00 0.00 H new ATOM 0 HA PHE A 163 4.521 0.892 0.834 1.00 0.00 H new ATOM 0 HB2 PHE A 163 1.575 1.009 1.634 1.00 0.00 H new ATOM 0 HB3 PHE A 163 2.430 -0.506 1.428 1.00 0.00 H new ATOM 0 HD1 PHE A 163 2.737 2.794 3.199 1.00 0.00 H new ATOM 0 HD2 PHE A 163 3.656 -1.403 3.226 1.00 0.00 H new ATOM 0 HE1 PHE A 163 3.677 3.015 5.484 1.00 0.00 H new ATOM 0 HE2 PHE A 163 4.597 -1.182 5.507 1.00 0.00 H new ATOM 0 HZ PHE A 163 4.609 1.025 6.638 1.00 0.00 H new ATOM 470 N ARG A 164 3.994 0.321 -1.540 1.00 0.00 N ATOM 471 CA ARG A 164 3.658 -0.102 -2.929 1.00 0.00 C ATOM 472 C ARG A 164 3.949 -1.587 -3.107 1.00 0.00 C ATOM 473 O ARG A 164 4.999 -2.066 -2.718 1.00 0.00 O ATOM 474 CB ARG A 164 4.526 0.650 -3.943 1.00 0.00 C ATOM 475 CG ARG A 164 5.970 0.773 -3.431 1.00 0.00 C ATOM 476 CD ARG A 164 6.940 0.751 -4.614 1.00 0.00 C ATOM 477 NE ARG A 164 7.460 -0.631 -4.808 1.00 0.00 N ATOM 478 CZ ARG A 164 7.563 -1.125 -6.012 1.00 0.00 C ATOM 479 NH1 ARG A 164 6.487 -1.443 -6.679 1.00 0.00 N ATOM 480 NH2 ARG A 164 8.740 -1.298 -6.549 1.00 0.00 N ATOM 0 H ARG A 164 4.972 0.200 -1.278 1.00 0.00 H new ATOM 0 HA ARG A 164 2.602 0.113 -3.094 1.00 0.00 H new ATOM 0 HB2 ARG A 164 4.516 0.125 -4.898 1.00 0.00 H new ATOM 0 HB3 ARG A 164 4.111 1.642 -4.120 1.00 0.00 H new ATOM 0 HG2 ARG A 164 6.089 1.699 -2.868 1.00 0.00 H new ATOM 0 HG3 ARG A 164 6.195 -0.046 -2.748 1.00 0.00 H new ATOM 0 HD2 ARG A 164 6.435 1.090 -5.518 1.00 0.00 H new ATOM 0 HD3 ARG A 164 7.766 1.439 -4.433 1.00 0.00 H new ATOM 0 HE ARG A 164 7.735 -1.191 -4.001 1.00 0.00 H new ATOM 0 HH11 ARG A 164 5.568 -1.305 -6.259 1.00 0.00 H new ATOM 0 HH12 ARG A 164 6.566 -1.829 -7.620 1.00 0.00 H new ATOM 0 HH21 ARG A 164 9.580 -1.047 -6.028 1.00 0.00 H new ATOM 0 HH22 ARG A 164 8.820 -1.684 -7.490 1.00 0.00 H new ATOM 494 N CYS A 165 3.052 -2.314 -3.729 1.00 0.00 N ATOM 495 CA CYS A 165 3.303 -3.737 -3.970 1.00 0.00 C ATOM 496 C CYS A 165 4.398 -3.835 -5.028 1.00 0.00 C ATOM 497 O CYS A 165 4.270 -3.276 -6.104 1.00 0.00 O ATOM 498 CB CYS A 165 2.043 -4.420 -4.509 1.00 0.00 C ATOM 499 SG CYS A 165 0.576 -4.070 -3.491 1.00 0.00 S ATOM 0 H CYS A 165 2.158 -1.966 -4.075 1.00 0.00 H new ATOM 0 HA CYS A 165 3.595 -4.224 -3.040 1.00 0.00 H new ATOM 0 HB2 CYS A 165 1.861 -4.087 -5.531 1.00 0.00 H new ATOM 0 HB3 CYS A 165 2.206 -5.497 -4.549 1.00 0.00 H new ATOM 504 N GLN A 166 5.468 -4.526 -4.723 1.00 0.00 N ATOM 505 CA GLN A 166 6.588 -4.666 -5.701 1.00 0.00 C ATOM 506 C GLN A 166 6.213 -5.661 -6.810 1.00 0.00 C ATOM 507 O GLN A 166 6.914 -5.782 -7.798 1.00 0.00 O ATOM 508 CB GLN A 166 7.834 -5.169 -4.971 1.00 0.00 C ATOM 509 CG GLN A 166 9.080 -4.832 -5.793 1.00 0.00 C ATOM 510 CD GLN A 166 10.204 -5.809 -5.438 1.00 0.00 C ATOM 511 OE1 GLN A 166 11.233 -5.409 -4.928 1.00 0.00 O ATOM 512 NE2 GLN A 166 10.049 -7.079 -5.685 1.00 0.00 N ATOM 0 H GLN A 166 5.614 -5.002 -3.833 1.00 0.00 H new ATOM 0 HA GLN A 166 6.785 -3.694 -6.153 1.00 0.00 H new ATOM 0 HB2 GLN A 166 7.901 -4.709 -3.985 1.00 0.00 H new ATOM 0 HB3 GLN A 166 7.768 -6.246 -4.817 1.00 0.00 H new ATOM 0 HG2 GLN A 166 8.854 -4.892 -6.858 1.00 0.00 H new ATOM 0 HG3 GLN A 166 9.396 -3.808 -5.592 1.00 0.00 H new ATOM 0 HE21 GLN A 166 9.186 -7.414 -6.113 1.00 0.00 H new ATOM 0 HE22 GLN A 166 10.791 -7.738 -5.451 1.00 0.00 H new ATOM 521 N THR A 167 5.121 -6.373 -6.658 1.00 0.00 N ATOM 522 CA THR A 167 4.709 -7.355 -7.702 1.00 0.00 C ATOM 523 C THR A 167 3.390 -6.887 -8.315 1.00 0.00 C ATOM 524 O THR A 167 3.196 -6.917 -9.516 1.00 0.00 O ATOM 525 CB THR A 167 4.580 -8.742 -7.046 1.00 0.00 C ATOM 526 OG1 THR A 167 4.786 -9.750 -8.023 1.00 0.00 O ATOM 527 CG2 THR A 167 3.208 -8.949 -6.381 1.00 0.00 C ATOM 0 H THR A 167 4.498 -6.313 -5.852 1.00 0.00 H new ATOM 0 HA THR A 167 5.448 -7.425 -8.500 1.00 0.00 H new ATOM 0 HB THR A 167 5.338 -8.806 -6.265 1.00 0.00 H new ATOM 0 HG1 THR A 167 5.317 -10.477 -7.636 1.00 0.00 H new ATOM 0 HG21 THR A 167 3.167 -9.942 -5.933 1.00 0.00 H new ATOM 0 HG22 THR A 167 3.061 -8.195 -5.607 1.00 0.00 H new ATOM 0 HG23 THR A 167 2.422 -8.857 -7.131 1.00 0.00 H new ATOM 535 N CYS A 168 2.501 -6.429 -7.480 1.00 0.00 N ATOM 536 CA CYS A 168 1.193 -5.920 -7.980 1.00 0.00 C ATOM 537 C CYS A 168 1.424 -4.554 -8.629 1.00 0.00 C ATOM 538 O CYS A 168 0.592 -4.069 -9.371 1.00 0.00 O ATOM 539 CB CYS A 168 0.164 -5.747 -6.845 1.00 0.00 C ATOM 540 SG CYS A 168 0.364 -6.997 -5.539 1.00 0.00 S ATOM 0 H CYS A 168 2.624 -6.385 -6.468 1.00 0.00 H new ATOM 0 HA CYS A 168 0.797 -6.647 -8.689 1.00 0.00 H new ATOM 0 HB2 CYS A 168 0.267 -4.752 -6.412 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -0.843 -5.812 -7.257 1.00 0.00 H new ATOM 545 N GLY A 169 2.540 -3.908 -8.333 1.00 0.00 N ATOM 546 CA GLY A 169 2.794 -2.559 -8.915 1.00 0.00 C ATOM 547 C GLY A 169 1.728 -1.620 -8.363 1.00 0.00 C ATOM 548 O GLY A 169 1.143 -0.827 -9.077 1.00 0.00 O ATOM 0 H GLY A 169 3.273 -4.262 -7.718 1.00 0.00 H new ATOM 0 HA2 GLY A 169 3.791 -2.207 -8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 169 2.748 -2.595 -10.003 1.00 0.00 H new ATOM 552 N TYR A 170 1.461 -1.734 -7.088 1.00 0.00 N ATOM 553 CA TYR A 170 0.412 -0.876 -6.461 1.00 0.00 C ATOM 554 C TYR A 170 1.081 0.179 -5.590 1.00 0.00 C ATOM 555 O TYR A 170 2.253 0.087 -5.300 1.00 0.00 O ATOM 556 CB TYR A 170 -0.521 -1.750 -5.607 1.00 0.00 C ATOM 557 CG TYR A 170 -1.960 -1.482 -5.984 1.00 0.00 C ATOM 558 CD1 TYR A 170 -2.650 -0.416 -5.399 1.00 0.00 C ATOM 559 CD2 TYR A 170 -2.600 -2.299 -6.923 1.00 0.00 C ATOM 560 CE1 TYR A 170 -3.982 -0.165 -5.751 1.00 0.00 C ATOM 561 CE2 TYR A 170 -3.929 -2.049 -7.276 1.00 0.00 C ATOM 562 CZ TYR A 170 -4.622 -0.981 -6.692 1.00 0.00 C ATOM 563 OH TYR A 170 -5.934 -0.736 -7.041 1.00 0.00 O ATOM 0 H TYR A 170 1.924 -2.385 -6.454 1.00 0.00 H new ATOM 0 HA TYR A 170 -0.174 -0.383 -7.236 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -0.286 -2.804 -5.758 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -0.367 -1.537 -4.549 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -2.155 0.214 -4.675 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -2.067 -3.123 -7.375 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.515 0.657 -5.297 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -4.422 -2.680 -8.000 1.00 0.00 H new ATOM 0 HH TYR A 170 -6.224 -1.394 -7.707 1.00 0.00 H new ATOM 573 N LYS A 171 0.347 1.186 -5.185 1.00 0.00 N ATOM 574 CA LYS A 171 0.947 2.260 -4.341 1.00 0.00 C ATOM 575 C LYS A 171 -0.157 2.997 -3.589 1.00 0.00 C ATOM 576 O LYS A 171 -1.120 3.433 -4.195 1.00 0.00 O ATOM 577 CB LYS A 171 1.680 3.251 -5.249 1.00 0.00 C ATOM 578 CG LYS A 171 0.726 3.771 -6.334 1.00 0.00 C ATOM 579 CD LYS A 171 1.460 3.846 -7.676 1.00 0.00 C ATOM 580 CE LYS A 171 1.477 2.462 -8.328 1.00 0.00 C ATOM 581 NZ LYS A 171 1.357 2.610 -9.807 1.00 0.00 N ATOM 0 H LYS A 171 -0.642 1.309 -5.404 1.00 0.00 H new ATOM 0 HA LYS A 171 1.642 1.819 -3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 171 2.062 4.084 -4.659 1.00 0.00 H new ATOM 0 HB3 LYS A 171 2.540 2.767 -5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 171 -0.138 3.112 -6.418 1.00 0.00 H new ATOM 0 HG3 LYS A 171 0.350 4.756 -6.059 1.00 0.00 H new ATOM 0 HD2 LYS A 171 0.967 4.563 -8.333 1.00 0.00 H new ATOM 0 HD3 LYS A 171 2.479 4.201 -7.525 1.00 0.00 H new ATOM 0 HE2 LYS A 171 2.401 1.941 -8.077 1.00 0.00 H new ATOM 0 HE3 LYS A 171 0.656 1.857 -7.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 1.368 1.670 -10.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 0.464 3.091 -10.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 2.155 3.172 -10.165 1.00 0.00 H new ATOM 595 N PHE A 172 -0.032 3.167 -2.291 1.00 0.00 N ATOM 596 CA PHE A 172 -1.103 3.910 -1.569 1.00 0.00 C ATOM 597 C PHE A 172 -0.715 4.297 -0.134 1.00 0.00 C ATOM 598 O PHE A 172 0.305 3.897 0.392 1.00 0.00 O ATOM 599 CB PHE A 172 -2.391 3.103 -1.575 1.00 0.00 C ATOM 600 CG PHE A 172 -2.185 1.679 -1.093 1.00 0.00 C ATOM 601 CD1 PHE A 172 -1.693 1.413 0.197 1.00 0.00 C ATOM 602 CD2 PHE A 172 -2.531 0.618 -1.935 1.00 0.00 C ATOM 603 CE1 PHE A 172 -1.547 0.092 0.630 1.00 0.00 C ATOM 604 CE2 PHE A 172 -2.386 -0.703 -1.499 1.00 0.00 C ATOM 605 CZ PHE A 172 -1.892 -0.967 -0.217 1.00 0.00 C ATOM 0 H PHE A 172 0.743 2.832 -1.719 1.00 0.00 H new ATOM 0 HA PHE A 172 -1.252 4.847 -2.106 1.00 0.00 H new ATOM 0 HB2 PHE A 172 -3.128 3.595 -0.940 1.00 0.00 H new ATOM 0 HB3 PHE A 172 -2.801 3.086 -2.585 1.00 0.00 H new ATOM 0 HD1 PHE A 172 -1.428 2.229 0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 172 -2.912 0.819 -2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 172 -1.167 -0.112 1.620 1.00 0.00 H new ATOM 0 HE2 PHE A 172 -2.656 -1.520 -2.152 1.00 0.00 H new ATOM 0 HZ PHE A 172 -1.777 -1.987 0.119 1.00 0.00 H new ATOM 615 N HIS A 173 -1.539 5.122 0.474 1.00 0.00 N ATOM 616 CA HIS A 173 -1.277 5.633 1.868 1.00 0.00 C ATOM 617 C HIS A 173 -2.005 4.784 2.943 1.00 0.00 C ATOM 618 O HIS A 173 -2.383 3.653 2.709 1.00 0.00 O ATOM 619 CB HIS A 173 -1.762 7.092 1.998 1.00 0.00 C ATOM 620 CG HIS A 173 -1.950 7.740 0.683 1.00 0.00 C ATOM 621 ND1 HIS A 173 -3.147 7.644 -0.043 1.00 0.00 N ATOM 622 CD2 HIS A 173 -1.129 8.555 -0.009 1.00 0.00 C ATOM 623 CE1 HIS A 173 -2.968 8.432 -1.115 1.00 0.00 C ATOM 624 NE2 HIS A 173 -1.756 8.997 -1.133 1.00 0.00 N ATOM 0 H HIS A 173 -2.401 5.472 0.056 1.00 0.00 H new ATOM 0 HA HIS A 173 -0.202 5.566 2.034 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -2.703 7.112 2.548 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -1.039 7.662 2.581 1.00 0.00 H new ATOM 0 HD2 HIS A 173 -0.124 8.818 0.285 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -3.717 8.591 -1.876 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -1.380 9.627 -1.841 1.00 0.00 H new ATOM 632 N GLU A 174 -2.209 5.355 4.126 1.00 0.00 N ATOM 633 CA GLU A 174 -2.914 4.637 5.235 1.00 0.00 C ATOM 634 C GLU A 174 -4.414 4.511 4.919 1.00 0.00 C ATOM 635 O GLU A 174 -5.091 3.648 5.445 1.00 0.00 O ATOM 636 CB GLU A 174 -2.735 5.419 6.538 1.00 0.00 C ATOM 637 CG GLU A 174 -1.288 5.288 7.017 1.00 0.00 C ATOM 638 CD GLU A 174 -1.254 5.294 8.546 1.00 0.00 C ATOM 639 OE1 GLU A 174 -1.915 4.457 9.138 1.00 0.00 O ATOM 640 OE2 GLU A 174 -0.567 6.136 9.100 1.00 0.00 O ATOM 0 H GLU A 174 -1.908 6.301 4.361 1.00 0.00 H new ATOM 0 HA GLU A 174 -2.488 3.639 5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -2.984 6.469 6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -3.417 5.040 7.299 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -0.850 4.365 6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -0.689 6.110 6.626 1.00 0.00 H new ATOM 647 N HIS A 175 -4.929 5.331 4.027 1.00 0.00 N ATOM 648 CA HIS A 175 -6.372 5.222 3.634 1.00 0.00 C ATOM 649 C HIS A 175 -6.578 3.945 2.831 1.00 0.00 C ATOM 650 O HIS A 175 -7.683 3.617 2.443 1.00 0.00 O ATOM 651 CB HIS A 175 -6.719 6.375 2.687 1.00 0.00 C ATOM 652 CG HIS A 175 -6.690 7.681 3.435 1.00 0.00 C ATOM 653 ND1 HIS A 175 -5.595 8.060 4.230 1.00 0.00 N ATOM 654 CD2 HIS A 175 -7.595 8.706 3.525 1.00 0.00 C ATOM 655 CE1 HIS A 175 -5.893 9.267 4.744 1.00 0.00 C ATOM 656 NE2 HIS A 175 -7.098 9.692 4.340 1.00 0.00 N ATOM 0 H HIS A 175 -4.410 6.071 3.555 1.00 0.00 H new ATOM 0 HA HIS A 175 -6.985 5.236 4.535 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -6.009 6.404 1.860 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -7.707 6.216 2.254 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -8.554 8.734 3.030 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -5.242 9.824 5.401 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -7.553 10.570 4.588 1.00 0.00 H new ATOM 664 N CYS A 176 -5.506 3.289 2.485 1.00 0.00 N ATOM 665 CA CYS A 176 -5.589 2.125 1.611 1.00 0.00 C ATOM 666 C CYS A 176 -4.935 0.906 2.283 1.00 0.00 C ATOM 667 O CYS A 176 -4.608 -0.072 1.640 1.00 0.00 O ATOM 668 CB CYS A 176 -4.868 2.570 0.339 1.00 0.00 C ATOM 669 SG CYS A 176 -5.430 4.282 -0.090 1.00 0.00 S ATOM 0 H CYS A 176 -4.562 3.530 2.787 1.00 0.00 H new ATOM 0 HA CYS A 176 -6.609 1.808 1.393 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -3.789 2.553 0.490 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -5.086 1.884 -0.479 1.00 0.00 H new ATOM 674 N SER A 177 -4.798 0.949 3.589 1.00 0.00 N ATOM 675 CA SER A 177 -4.232 -0.203 4.343 1.00 0.00 C ATOM 676 C SER A 177 -5.398 -0.819 5.112 1.00 0.00 C ATOM 677 O SER A 177 -6.071 -0.133 5.853 1.00 0.00 O ATOM 678 CB SER A 177 -3.161 0.285 5.319 1.00 0.00 C ATOM 679 OG SER A 177 -1.882 0.157 4.713 1.00 0.00 O ATOM 0 H SER A 177 -5.060 1.748 4.167 1.00 0.00 H new ATOM 0 HA SER A 177 -3.766 -0.928 3.675 1.00 0.00 H new ATOM 0 HB2 SER A 177 -3.346 1.325 5.590 1.00 0.00 H new ATOM 0 HB3 SER A 177 -3.200 -0.296 6.240 1.00 0.00 H new ATOM 0 HG SER A 177 -1.193 0.470 5.335 1.00 0.00 H new ATOM 685 N THR A 178 -5.676 -2.087 4.885 1.00 0.00 N ATOM 686 CA THR A 178 -6.848 -2.786 5.534 1.00 0.00 C ATOM 687 C THR A 178 -8.080 -2.572 4.644 1.00 0.00 C ATOM 688 O THR A 178 -8.815 -3.498 4.361 1.00 0.00 O ATOM 689 CB THR A 178 -7.136 -2.273 6.958 1.00 0.00 C ATOM 690 OG1 THR A 178 -5.912 -2.114 7.659 1.00 0.00 O ATOM 691 CG2 THR A 178 -8.021 -3.281 7.695 1.00 0.00 C ATOM 0 H THR A 178 -5.129 -2.682 4.263 1.00 0.00 H new ATOM 0 HA THR A 178 -6.606 -3.844 5.630 1.00 0.00 H new ATOM 0 HB THR A 178 -7.650 -1.313 6.902 1.00 0.00 H new ATOM 0 HG1 THR A 178 -6.094 -1.786 8.564 1.00 0.00 H new ATOM 0 HG21 THR A 178 -8.225 -2.918 8.702 1.00 0.00 H new ATOM 0 HG22 THR A 178 -8.961 -3.402 7.156 1.00 0.00 H new ATOM 0 HG23 THR A 178 -7.509 -4.241 7.752 1.00 0.00 H new ATOM 699 N LYS A 179 -8.292 -1.361 4.165 1.00 0.00 N ATOM 700 CA LYS A 179 -9.448 -1.087 3.254 1.00 0.00 C ATOM 701 C LYS A 179 -9.367 -2.032 2.046 1.00 0.00 C ATOM 702 O LYS A 179 -10.363 -2.341 1.421 1.00 0.00 O ATOM 703 CB LYS A 179 -9.371 0.368 2.777 1.00 0.00 C ATOM 704 CG LYS A 179 -10.587 0.697 1.904 1.00 0.00 C ATOM 705 CD LYS A 179 -11.678 1.334 2.766 1.00 0.00 C ATOM 706 CE LYS A 179 -12.481 2.326 1.922 1.00 0.00 C ATOM 707 NZ LYS A 179 -13.797 2.580 2.575 1.00 0.00 N ATOM 0 H LYS A 179 -7.708 -0.550 4.370 1.00 0.00 H new ATOM 0 HA LYS A 179 -10.389 -1.249 3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -9.336 1.039 3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -8.453 0.526 2.211 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -10.299 1.377 1.102 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -10.965 -0.210 1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -12.337 0.563 3.166 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -11.231 1.844 3.619 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -11.929 3.260 1.815 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -12.631 1.928 0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -14.344 3.254 2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -14.323 1.686 2.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -13.643 2.977 3.524 1.00 0.00 H new ATOM 721 N VAL A 180 -8.179 -2.511 1.731 1.00 0.00 N ATOM 722 CA VAL A 180 -8.008 -3.460 0.583 1.00 0.00 C ATOM 723 C VAL A 180 -9.023 -4.618 0.748 1.00 0.00 C ATOM 724 O VAL A 180 -9.254 -5.051 1.859 1.00 0.00 O ATOM 725 CB VAL A 180 -6.565 -4.009 0.619 1.00 0.00 C ATOM 726 CG1 VAL A 180 -6.278 -4.840 -0.632 1.00 0.00 C ATOM 727 CG2 VAL A 180 -5.570 -2.842 0.678 1.00 0.00 C ATOM 0 H VAL A 180 -7.317 -2.281 2.226 1.00 0.00 H new ATOM 0 HA VAL A 180 -8.183 -2.960 -0.369 1.00 0.00 H new ATOM 0 HB VAL A 180 -6.457 -4.639 1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -5.257 -5.219 -0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -6.974 -5.677 -0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -6.398 -4.217 -1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -4.553 -3.232 0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -5.695 -2.212 -0.203 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -5.755 -2.252 1.575 1.00 0.00 H new ATOM 737 N PRO A 181 -9.629 -5.076 -0.334 1.00 0.00 N ATOM 738 CA PRO A 181 -10.634 -6.155 -0.246 1.00 0.00 C ATOM 739 C PRO A 181 -9.980 -7.487 0.120 1.00 0.00 C ATOM 740 O PRO A 181 -10.298 -8.075 1.139 1.00 0.00 O ATOM 741 CB PRO A 181 -11.265 -6.188 -1.642 1.00 0.00 C ATOM 742 CG PRO A 181 -10.247 -5.524 -2.595 1.00 0.00 C ATOM 743 CD PRO A 181 -9.374 -4.605 -1.720 1.00 0.00 C ATOM 0 HA PRO A 181 -11.376 -5.982 0.533 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -11.474 -7.212 -1.950 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -12.214 -5.652 -1.652 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -9.638 -6.275 -3.099 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -10.756 -4.953 -3.372 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -8.319 -4.689 -1.982 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -9.650 -3.558 -1.842 1.00 0.00 H new ATOM 751 N THR A 182 -9.071 -7.963 -0.686 1.00 0.00 N ATOM 752 CA THR A 182 -8.396 -9.255 -0.368 1.00 0.00 C ATOM 753 C THR A 182 -7.255 -9.024 0.637 1.00 0.00 C ATOM 754 O THR A 182 -6.657 -9.968 1.119 1.00 0.00 O ATOM 755 CB THR A 182 -7.830 -9.865 -1.650 1.00 0.00 C ATOM 756 OG1 THR A 182 -7.090 -11.036 -1.329 1.00 0.00 O ATOM 757 CG2 THR A 182 -6.918 -8.853 -2.336 1.00 0.00 C ATOM 0 H THR A 182 -8.766 -7.515 -1.550 1.00 0.00 H new ATOM 0 HA THR A 182 -9.124 -9.936 0.072 1.00 0.00 H new ATOM 0 HB THR A 182 -8.648 -10.126 -2.322 1.00 0.00 H new ATOM 0 HG1 THR A 182 -6.807 -10.997 -0.392 1.00 0.00 H new ATOM 0 HG21 THR A 182 -6.514 -9.288 -3.250 1.00 0.00 H new ATOM 0 HG22 THR A 182 -7.488 -7.957 -2.582 1.00 0.00 H new ATOM 0 HG23 THR A 182 -6.099 -8.590 -1.667 1.00 0.00 H new ATOM 765 N MET A 183 -6.942 -7.783 0.955 1.00 0.00 N ATOM 766 CA MET A 183 -5.834 -7.501 1.920 1.00 0.00 C ATOM 767 C MET A 183 -4.518 -7.998 1.321 1.00 0.00 C ATOM 768 O MET A 183 -4.329 -9.185 1.128 1.00 0.00 O ATOM 769 CB MET A 183 -6.096 -8.213 3.252 1.00 0.00 C ATOM 770 CG MET A 183 -5.171 -7.642 4.328 1.00 0.00 C ATOM 771 SD MET A 183 -5.380 -8.577 5.865 1.00 0.00 S ATOM 772 CE MET A 183 -4.150 -7.682 6.843 1.00 0.00 C ATOM 0 H MET A 183 -7.410 -6.956 0.584 1.00 0.00 H new ATOM 0 HA MET A 183 -5.778 -6.428 2.104 1.00 0.00 H new ATOM 0 HB2 MET A 183 -7.137 -8.083 3.547 1.00 0.00 H new ATOM 0 HB3 MET A 183 -5.927 -9.284 3.143 1.00 0.00 H new ATOM 0 HG2 MET A 183 -4.134 -7.695 3.996 1.00 0.00 H new ATOM 0 HG3 MET A 183 -5.399 -6.589 4.497 1.00 0.00 H new ATOM 0 HE1 MET A 183 -4.110 -8.101 7.849 1.00 0.00 H new ATOM 0 HE2 MET A 183 -3.172 -7.776 6.372 1.00 0.00 H new ATOM 0 HE3 MET A 183 -4.426 -6.629 6.899 1.00 0.00 H new ATOM 782 N CYS A 184 -3.608 -7.104 1.013 1.00 0.00 N ATOM 783 CA CYS A 184 -2.316 -7.544 0.411 1.00 0.00 C ATOM 784 C CYS A 184 -1.584 -8.473 1.384 1.00 0.00 C ATOM 785 O CYS A 184 -0.926 -8.039 2.307 1.00 0.00 O ATOM 786 CB CYS A 184 -1.448 -6.324 0.058 1.00 0.00 C ATOM 787 SG CYS A 184 -0.177 -6.808 -1.146 1.00 0.00 S ATOM 0 H CYS A 184 -3.705 -6.098 1.152 1.00 0.00 H new ATOM 0 HA CYS A 184 -2.516 -8.092 -0.510 1.00 0.00 H new ATOM 0 HB2 CYS A 184 -2.070 -5.530 -0.354 1.00 0.00 H new ATOM 0 HB3 CYS A 184 -0.978 -5.927 0.958 1.00 0.00 H new ATOM 792 N VAL A 185 -1.720 -9.760 1.178 1.00 0.00 N ATOM 793 CA VAL A 185 -1.062 -10.754 2.075 1.00 0.00 C ATOM 794 C VAL A 185 0.193 -11.316 1.390 1.00 0.00 C ATOM 795 O VAL A 185 0.137 -12.290 0.664 1.00 0.00 O ATOM 796 CB VAL A 185 -2.062 -11.885 2.375 1.00 0.00 C ATOM 797 CG1 VAL A 185 -2.542 -12.526 1.065 1.00 0.00 C ATOM 798 CG2 VAL A 185 -1.401 -12.949 3.264 1.00 0.00 C ATOM 0 H VAL A 185 -2.265 -10.166 0.418 1.00 0.00 H new ATOM 0 HA VAL A 185 -0.762 -10.278 3.009 1.00 0.00 H new ATOM 0 HB VAL A 185 -2.920 -11.465 2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 185 -3.249 -13.325 1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 185 -3.030 -11.771 0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 185 -1.688 -12.937 0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 185 -2.116 -13.745 3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 185 -0.534 -13.364 2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 185 -1.084 -12.493 4.202 1.00 0.00 H new ATOM 808 N ASP A 186 1.325 -10.702 1.624 1.00 0.00 N ATOM 809 CA ASP A 186 2.596 -11.185 1.003 1.00 0.00 C ATOM 810 C ASP A 186 2.880 -12.623 1.451 1.00 0.00 C ATOM 811 O ASP A 186 2.326 -13.101 2.423 1.00 0.00 O ATOM 812 CB ASP A 186 3.749 -10.280 1.438 1.00 0.00 C ATOM 813 CG ASP A 186 3.789 -10.202 2.966 1.00 0.00 C ATOM 814 OD1 ASP A 186 4.294 -11.131 3.574 1.00 0.00 O ATOM 815 OD2 ASP A 186 3.311 -9.215 3.502 1.00 0.00 O ATOM 0 H ASP A 186 1.424 -9.882 2.222 1.00 0.00 H new ATOM 0 HA ASP A 186 2.499 -11.160 -0.082 1.00 0.00 H new ATOM 0 HB2 ASP A 186 4.694 -10.669 1.058 1.00 0.00 H new ATOM 0 HB3 ASP A 186 3.622 -9.283 1.016 1.00 0.00 H new ATOM 820 N TRP A 187 3.744 -13.309 0.745 1.00 0.00 N ATOM 821 CA TRP A 187 4.078 -14.715 1.117 1.00 0.00 C ATOM 822 C TRP A 187 4.897 -14.718 2.411 1.00 0.00 C ATOM 823 O TRP A 187 4.621 -15.547 3.261 1.00 0.00 O ATOM 824 CB TRP A 187 4.894 -15.358 -0.010 1.00 0.00 C ATOM 825 CG TRP A 187 5.116 -16.807 0.288 1.00 0.00 C ATOM 826 CD1 TRP A 187 6.093 -17.295 1.087 1.00 0.00 C ATOM 827 CD2 TRP A 187 4.366 -17.961 -0.193 1.00 0.00 C ATOM 828 NE1 TRP A 187 5.991 -18.673 1.128 1.00 0.00 N ATOM 829 CE2 TRP A 187 4.944 -19.132 0.355 1.00 0.00 C ATOM 830 CE3 TRP A 187 3.256 -18.105 -1.042 1.00 0.00 C ATOM 831 CZ2 TRP A 187 4.435 -20.400 0.070 1.00 0.00 C ATOM 832 CZ3 TRP A 187 2.741 -19.380 -1.331 1.00 0.00 C ATOM 833 CH2 TRP A 187 3.330 -20.525 -0.776 1.00 0.00 C ATOM 834 OXT TRP A 187 5.785 -13.890 2.527 1.00 0.00 O ATOM 0 H TRP A 187 4.233 -12.953 -0.076 1.00 0.00 H new ATOM 0 HA TRP A 187 3.160 -15.282 1.269 1.00 0.00 H new ATOM 0 HB2 TRP A 187 4.369 -15.249 -0.959 1.00 0.00 H new ATOM 0 HB3 TRP A 187 5.852 -14.848 -0.115 1.00 0.00 H new ATOM 0 HD1 TRP A 187 6.832 -16.704 1.608 1.00 0.00 H new ATOM 0 HE1 TRP A 187 6.614 -19.277 1.664 1.00 0.00 H new ATOM 0 HE3 TRP A 187 2.795 -17.230 -1.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 187 4.892 -21.279 0.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 187 1.887 -19.479 -1.984 1.00 0.00 H new ATOM 0 HH2 TRP A 187 2.930 -21.502 -1.002 1.00 0.00 H new TER 845 TRP A 187 HETATM 846 ZN ZN A 1 -4.554 6.366 -0.735 1.00 0.00 ZN HETATM 847 ZN ZN A 2 -0.252 -6.232 -3.413 1.00 0.00 ZN