USER MOD reduce.3.24.130724 H: found=0, std=0, add=346, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 339 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 139 HIS : no HD1:sc= -1.98! K(o=-0.53!,f=-2.8) USER MOD Set 1.2: A 165 CYS SG : rot 158:sc= 0.117 USER MOD Set 1.3: A 167 THR OG1 : rot 60:sc= 0.898 USER MOD Set 1.4: A 168 CYS SG : rot -58:sc= 0.44 USER MOD Set 2.1: A 152 CYS SG : rot -138:sc= -1.31 USER MOD Set 2.2: A 155 CYS SG : rot 146:sc= 1.09 USER MOD Set 2.3: A 173 HIS : no HD1:sc= -3.9! C(o=-6.8!,f=-12!) USER MOD Set 2.4: A 176 CYS SG : rot -167:sc= -2.72! USER MOD Single : A 140 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00796) USER MOD Single : A 145 THR OG1 : rot 180:sc= -0.402 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= -1.69 X(o=-1.7,f=-1.8!) USER MOD Single : A 166 GLN : amide:sc= -0.0927 X(o=-0.093,f=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 X(o=0,f=0) USER MOD Single : A 177 SER OG : rot 1:sc= 0.195 USER MOD Single : A 178 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0667) USER MOD ----------------------------------------------------------------- ATOM 50 N HIS A 139 -1.426 -8.446 1.442 1.00 0.00 N ATOM 51 CA HIS A 139 -0.504 -9.243 0.579 1.00 0.00 C ATOM 52 C HIS A 139 0.945 -8.802 0.856 1.00 0.00 C ATOM 53 O HIS A 139 1.542 -9.258 1.816 1.00 0.00 O ATOM 54 CB HIS A 139 -0.852 -9.111 -0.931 1.00 0.00 C ATOM 55 CG HIS A 139 -1.606 -7.833 -1.263 1.00 0.00 C ATOM 56 ND1 HIS A 139 -1.284 -7.063 -2.395 1.00 0.00 N ATOM 57 CD2 HIS A 139 -2.676 -7.198 -0.677 1.00 0.00 C ATOM 58 CE1 HIS A 139 -2.151 -6.036 -2.428 1.00 0.00 C ATOM 59 NE2 HIS A 139 -3.010 -6.083 -1.403 1.00 0.00 N ATOM 0 HA HIS A 139 -0.620 -10.298 0.827 1.00 0.00 H new ATOM 0 HB2 HIS A 139 0.069 -9.144 -1.513 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -1.452 -9.969 -1.235 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -3.178 -7.528 0.220 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -2.154 -5.268 -3.188 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -3.761 -5.423 -1.202 1.00 0.00 H new ATOM 67 N ASN A 140 1.522 -7.925 0.058 1.00 0.00 N ATOM 68 CA ASN A 140 2.922 -7.485 0.333 1.00 0.00 C ATOM 69 C ASN A 140 2.946 -5.971 0.536 1.00 0.00 C ATOM 70 O ASN A 140 2.528 -5.218 -0.321 1.00 0.00 O ATOM 71 CB ASN A 140 3.833 -7.870 -0.841 1.00 0.00 C ATOM 72 CG ASN A 140 5.122 -8.504 -0.313 1.00 0.00 C ATOM 73 OD1 ASN A 140 6.159 -7.873 -0.293 1.00 0.00 O ATOM 74 ND2 ASN A 140 5.101 -9.736 0.119 1.00 0.00 N ATOM 0 H ASN A 140 1.084 -7.503 -0.761 1.00 0.00 H new ATOM 0 HA ASN A 140 3.285 -7.977 1.235 1.00 0.00 H new ATOM 0 HB2 ASN A 140 3.317 -8.569 -1.499 1.00 0.00 H new ATOM 0 HB3 ASN A 140 4.068 -6.987 -1.435 1.00 0.00 H new ATOM 0 HD21 ASN A 140 5.955 -10.167 0.473 1.00 0.00 H new ATOM 0 HD22 ASN A 140 4.230 -10.267 0.103 1.00 0.00 H new ATOM 81 N PHE A 141 3.427 -5.523 1.667 1.00 0.00 N ATOM 82 CA PHE A 141 3.483 -4.057 1.938 1.00 0.00 C ATOM 83 C PHE A 141 4.838 -3.709 2.556 1.00 0.00 C ATOM 84 O PHE A 141 5.112 -4.036 3.696 1.00 0.00 O ATOM 85 CB PHE A 141 2.364 -3.669 2.911 1.00 0.00 C ATOM 86 CG PHE A 141 1.021 -4.092 2.356 1.00 0.00 C ATOM 87 CD1 PHE A 141 0.661 -3.760 1.042 1.00 0.00 C ATOM 88 CD2 PHE A 141 0.130 -4.815 3.160 1.00 0.00 C ATOM 89 CE1 PHE A 141 -0.584 -4.151 0.535 1.00 0.00 C ATOM 90 CE2 PHE A 141 -1.114 -5.205 2.652 1.00 0.00 C ATOM 91 CZ PHE A 141 -1.471 -4.874 1.340 1.00 0.00 C ATOM 0 H PHE A 141 3.785 -6.114 2.418 1.00 0.00 H new ATOM 0 HA PHE A 141 3.354 -3.510 1.004 1.00 0.00 H new ATOM 0 HB2 PHE A 141 2.532 -4.143 3.878 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.374 -2.592 3.078 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.345 -3.202 0.420 1.00 0.00 H new ATOM 0 HD2 PHE A 141 0.404 -5.072 4.173 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -0.860 -3.895 -0.477 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -1.800 -5.762 3.273 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.431 -5.177 0.949 1.00 0.00 H new ATOM 101 N ALA A 142 5.687 -3.047 1.810 1.00 0.00 N ATOM 102 CA ALA A 142 7.028 -2.671 2.346 1.00 0.00 C ATOM 103 C ALA A 142 7.255 -1.172 2.144 1.00 0.00 C ATOM 104 O ALA A 142 7.087 -0.654 1.056 1.00 0.00 O ATOM 105 CB ALA A 142 8.111 -3.456 1.603 1.00 0.00 C ATOM 0 H ALA A 142 5.507 -2.751 0.851 1.00 0.00 H new ATOM 0 HA ALA A 142 7.074 -2.905 3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 142 9.091 -3.182 1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 142 7.949 -4.524 1.746 1.00 0.00 H new ATOM 0 HB3 ALA A 142 8.066 -3.221 0.540 1.00 0.00 H new ATOM 111 N ARG A 143 7.633 -0.473 3.186 1.00 0.00 N ATOM 112 CA ARG A 143 7.870 0.998 3.063 1.00 0.00 C ATOM 113 C ARG A 143 8.984 1.260 2.046 1.00 0.00 C ATOM 114 O ARG A 143 10.101 0.801 2.202 1.00 0.00 O ATOM 115 CB ARG A 143 8.269 1.575 4.427 1.00 0.00 C ATOM 116 CG ARG A 143 9.523 0.869 4.952 1.00 0.00 C ATOM 117 CD ARG A 143 9.638 1.091 6.462 1.00 0.00 C ATOM 118 NE ARG A 143 10.382 -0.043 7.079 1.00 0.00 N ATOM 119 CZ ARG A 143 11.643 0.091 7.381 1.00 0.00 C ATOM 120 NH1 ARG A 143 12.058 1.168 7.990 1.00 0.00 N ATOM 121 NH2 ARG A 143 12.492 -0.853 7.075 1.00 0.00 N ATOM 0 H ARG A 143 7.788 -0.859 4.117 1.00 0.00 H new ATOM 0 HA ARG A 143 6.954 1.481 2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 143 8.456 2.645 4.337 1.00 0.00 H new ATOM 0 HB3 ARG A 143 7.450 1.453 5.136 1.00 0.00 H new ATOM 0 HG2 ARG A 143 9.472 -0.198 4.733 1.00 0.00 H new ATOM 0 HG3 ARG A 143 10.409 1.255 4.448 1.00 0.00 H new ATOM 0 HD2 ARG A 143 10.154 2.030 6.663 1.00 0.00 H new ATOM 0 HD3 ARG A 143 8.645 1.171 6.905 1.00 0.00 H new ATOM 0 HE ARG A 143 9.904 -0.925 7.265 1.00 0.00 H new ATOM 0 HH11 ARG A 143 11.396 1.906 8.230 1.00 0.00 H new ATOM 0 HH12 ARG A 143 13.045 1.272 8.226 1.00 0.00 H new ATOM 0 HH21 ARG A 143 12.168 -1.695 6.600 1.00 0.00 H new ATOM 0 HH22 ARG A 143 13.479 -0.748 7.311 1.00 0.00 H new ATOM 135 N LYS A 144 8.684 1.997 1.010 1.00 0.00 N ATOM 136 CA LYS A 144 9.709 2.302 -0.028 1.00 0.00 C ATOM 137 C LYS A 144 9.109 3.276 -1.044 1.00 0.00 C ATOM 138 O LYS A 144 8.005 3.085 -1.518 1.00 0.00 O ATOM 139 CB LYS A 144 10.125 1.007 -0.733 1.00 0.00 C ATOM 140 CG LYS A 144 8.885 0.298 -1.293 1.00 0.00 C ATOM 141 CD LYS A 144 8.773 0.565 -2.797 1.00 0.00 C ATOM 142 CE LYS A 144 9.360 -0.616 -3.575 1.00 0.00 C ATOM 143 NZ LYS A 144 10.763 -0.305 -3.965 1.00 0.00 N ATOM 0 H LYS A 144 7.765 2.404 0.838 1.00 0.00 H new ATOM 0 HA LYS A 144 10.587 2.751 0.437 1.00 0.00 H new ATOM 0 HB2 LYS A 144 10.823 1.230 -1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 144 10.645 0.352 -0.033 1.00 0.00 H new ATOM 0 HG2 LYS A 144 8.953 -0.774 -1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 144 7.990 0.653 -0.783 1.00 0.00 H new ATOM 0 HD2 LYS A 144 7.729 0.712 -3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 144 9.303 1.482 -3.054 1.00 0.00 H new ATOM 0 HE2 LYS A 144 9.333 -1.518 -2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 144 8.760 -0.815 -4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 11.145 -1.085 -4.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 10.782 0.574 -4.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 11.343 -0.186 -3.110 1.00 0.00 H new ATOM 157 N THR A 145 9.823 4.321 -1.375 1.00 0.00 N ATOM 158 CA THR A 145 9.289 5.312 -2.356 1.00 0.00 C ATOM 159 C THR A 145 9.480 4.785 -3.779 1.00 0.00 C ATOM 160 O THR A 145 10.112 3.769 -3.998 1.00 0.00 O ATOM 161 CB THR A 145 10.015 6.645 -2.183 1.00 0.00 C ATOM 162 OG1 THR A 145 9.600 7.552 -3.194 1.00 0.00 O ATOM 163 CG2 THR A 145 11.515 6.421 -2.282 1.00 0.00 C ATOM 0 H THR A 145 10.752 4.531 -1.009 1.00 0.00 H new ATOM 0 HA THR A 145 8.224 5.463 -2.178 1.00 0.00 H new ATOM 0 HB THR A 145 9.774 7.064 -1.206 1.00 0.00 H new ATOM 0 HG1 THR A 145 10.066 8.406 -3.079 1.00 0.00 H new ATOM 0 HG21 THR A 145 12.034 7.372 -2.159 1.00 0.00 H new ATOM 0 HG22 THR A 145 11.832 5.731 -1.500 1.00 0.00 H new ATOM 0 HG23 THR A 145 11.756 6.000 -3.258 1.00 0.00 H new ATOM 171 N PHE A 146 8.909 5.457 -4.743 1.00 0.00 N ATOM 172 CA PHE A 146 9.012 4.990 -6.168 1.00 0.00 C ATOM 173 C PHE A 146 10.082 5.804 -6.899 1.00 0.00 C ATOM 174 O PHE A 146 10.830 6.550 -6.294 1.00 0.00 O ATOM 175 CB PHE A 146 7.652 5.148 -6.903 1.00 0.00 C ATOM 176 CG PHE A 146 6.540 5.392 -5.907 1.00 0.00 C ATOM 177 CD1 PHE A 146 6.287 4.450 -4.903 1.00 0.00 C ATOM 178 CD2 PHE A 146 5.802 6.577 -5.960 1.00 0.00 C ATOM 179 CE1 PHE A 146 5.297 4.693 -3.953 1.00 0.00 C ATOM 180 CE2 PHE A 146 4.806 6.816 -5.012 1.00 0.00 C ATOM 181 CZ PHE A 146 4.558 5.873 -4.008 1.00 0.00 C ATOM 0 H PHE A 146 8.372 6.314 -4.610 1.00 0.00 H new ATOM 0 HA PHE A 146 9.285 3.935 -6.165 1.00 0.00 H new ATOM 0 HB2 PHE A 146 7.706 5.978 -7.608 1.00 0.00 H new ATOM 0 HB3 PHE A 146 7.439 4.250 -7.483 1.00 0.00 H new ATOM 0 HD1 PHE A 146 6.859 3.535 -4.865 1.00 0.00 H new ATOM 0 HD2 PHE A 146 6.002 7.306 -6.732 1.00 0.00 H new ATOM 0 HE1 PHE A 146 5.103 3.968 -3.176 1.00 0.00 H new ATOM 0 HE2 PHE A 146 4.228 7.727 -5.053 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.790 6.061 -3.272 1.00 0.00 H new ATOM 191 N LEU A 147 10.159 5.660 -8.198 1.00 0.00 N ATOM 192 CA LEU A 147 11.180 6.412 -8.985 1.00 0.00 C ATOM 193 C LEU A 147 10.923 7.915 -8.853 1.00 0.00 C ATOM 194 O LEU A 147 11.680 8.629 -8.222 1.00 0.00 O ATOM 195 CB LEU A 147 11.086 6.005 -10.460 1.00 0.00 C ATOM 196 CG LEU A 147 12.152 4.952 -10.772 1.00 0.00 C ATOM 197 CD1 LEU A 147 11.683 3.586 -10.269 1.00 0.00 C ATOM 198 CD2 LEU A 147 12.375 4.888 -12.285 1.00 0.00 C ATOM 0 H LEU A 147 9.555 5.050 -8.749 1.00 0.00 H new ATOM 0 HA LEU A 147 12.175 6.180 -8.605 1.00 0.00 H new ATOM 0 HB2 LEU A 147 10.094 5.608 -10.675 1.00 0.00 H new ATOM 0 HB3 LEU A 147 11.225 6.878 -11.098 1.00 0.00 H new ATOM 0 HG LEU A 147 13.085 5.221 -10.276 1.00 0.00 H new ATOM 0 HD11 LEU A 147 12.442 2.836 -10.491 1.00 0.00 H new ATOM 0 HD12 LEU A 147 11.521 3.631 -9.192 1.00 0.00 H new ATOM 0 HD13 LEU A 147 10.751 3.316 -10.765 1.00 0.00 H new ATOM 0 HD21 LEU A 147 13.134 4.139 -12.510 1.00 0.00 H new ATOM 0 HD22 LEU A 147 11.442 4.619 -12.779 1.00 0.00 H new ATOM 0 HD23 LEU A 147 12.708 5.861 -12.645 1.00 0.00 H new ATOM 210 N LYS A 148 9.864 8.401 -9.454 1.00 0.00 N ATOM 211 CA LYS A 148 9.558 9.859 -9.375 1.00 0.00 C ATOM 212 C LYS A 148 8.264 10.075 -8.588 1.00 0.00 C ATOM 213 O LYS A 148 8.286 10.524 -7.457 1.00 0.00 O ATOM 214 CB LYS A 148 9.399 10.423 -10.789 1.00 0.00 C ATOM 215 CG LYS A 148 10.746 10.371 -11.516 1.00 0.00 C ATOM 216 CD LYS A 148 10.883 11.590 -12.431 1.00 0.00 C ATOM 217 CE LYS A 148 12.203 11.505 -13.199 1.00 0.00 C ATOM 218 NZ LYS A 148 13.287 12.139 -12.396 1.00 0.00 N ATOM 0 H LYS A 148 9.199 7.848 -9.996 1.00 0.00 H new ATOM 0 HA LYS A 148 10.375 10.372 -8.868 1.00 0.00 H new ATOM 0 HB2 LYS A 148 8.655 9.848 -11.339 1.00 0.00 H new ATOM 0 HB3 LYS A 148 9.038 11.451 -10.743 1.00 0.00 H new ATOM 0 HG2 LYS A 148 11.561 10.354 -10.792 1.00 0.00 H new ATOM 0 HG3 LYS A 148 10.820 9.454 -12.101 1.00 0.00 H new ATOM 0 HD2 LYS A 148 10.046 11.631 -13.128 1.00 0.00 H new ATOM 0 HD3 LYS A 148 10.851 12.506 -11.841 1.00 0.00 H new ATOM 0 HE2 LYS A 148 12.450 10.463 -13.405 1.00 0.00 H new ATOM 0 HE3 LYS A 148 12.109 12.006 -14.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 14.185 12.081 -12.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 13.051 13.137 -12.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 13.382 11.642 -11.488 1.00 0.00 H new ATOM 232 N LEU A 149 7.140 9.767 -9.181 1.00 0.00 N ATOM 233 CA LEU A 149 5.841 9.963 -8.472 1.00 0.00 C ATOM 234 C LEU A 149 4.798 8.974 -9.000 1.00 0.00 C ATOM 235 O LEU A 149 4.757 8.663 -10.175 1.00 0.00 O ATOM 236 CB LEU A 149 5.348 11.392 -8.707 1.00 0.00 C ATOM 237 CG LEU A 149 4.525 11.855 -7.503 1.00 0.00 C ATOM 238 CD1 LEU A 149 5.463 12.381 -6.415 1.00 0.00 C ATOM 239 CD2 LEU A 149 3.573 12.972 -7.938 1.00 0.00 C ATOM 0 H LEU A 149 7.066 9.388 -10.125 1.00 0.00 H new ATOM 0 HA LEU A 149 5.987 9.791 -7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 149 6.196 12.060 -8.859 1.00 0.00 H new ATOM 0 HB3 LEU A 149 4.742 11.434 -9.612 1.00 0.00 H new ATOM 0 HG LEU A 149 3.949 11.016 -7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 149 4.877 12.711 -5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 149 6.143 11.587 -6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 149 6.039 13.220 -6.805 1.00 0.00 H new ATOM 0 HD21 LEU A 149 2.986 13.303 -7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 149 4.150 13.810 -8.329 1.00 0.00 H new ATOM 0 HD23 LEU A 149 2.905 12.599 -8.714 1.00 0.00 H new ATOM 251 N ALA A 150 3.948 8.488 -8.131 1.00 0.00 N ATOM 252 CA ALA A 150 2.888 7.526 -8.555 1.00 0.00 C ATOM 253 C ALA A 150 1.516 8.112 -8.174 1.00 0.00 C ATOM 254 O ALA A 150 1.372 9.317 -8.087 1.00 0.00 O ATOM 255 CB ALA A 150 3.130 6.180 -7.858 1.00 0.00 C ATOM 0 H ALA A 150 3.944 8.719 -7.138 1.00 0.00 H new ATOM 0 HA ALA A 150 2.914 7.364 -9.633 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.361 5.470 -8.161 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.110 5.795 -8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.091 6.318 -6.777 1.00 0.00 H new ATOM 261 N PHE A 151 0.508 7.293 -7.956 1.00 0.00 N ATOM 262 CA PHE A 151 -0.842 7.847 -7.590 1.00 0.00 C ATOM 263 C PHE A 151 -1.650 6.803 -6.794 1.00 0.00 C ATOM 264 O PHE A 151 -1.700 5.643 -7.154 1.00 0.00 O ATOM 265 CB PHE A 151 -1.604 8.207 -8.865 1.00 0.00 C ATOM 266 CG PHE A 151 -1.429 9.672 -9.186 1.00 0.00 C ATOM 267 CD1 PHE A 151 -2.317 10.614 -8.650 1.00 0.00 C ATOM 268 CD2 PHE A 151 -0.390 10.088 -10.025 1.00 0.00 C ATOM 269 CE1 PHE A 151 -2.163 11.973 -8.953 1.00 0.00 C ATOM 270 CE2 PHE A 151 -0.235 11.448 -10.327 1.00 0.00 C ATOM 271 CZ PHE A 151 -1.121 12.388 -9.791 1.00 0.00 C ATOM 0 H PHE A 151 0.560 6.276 -8.015 1.00 0.00 H new ATOM 0 HA PHE A 151 -0.704 8.736 -6.974 1.00 0.00 H new ATOM 0 HB2 PHE A 151 -1.243 7.600 -9.696 1.00 0.00 H new ATOM 0 HB3 PHE A 151 -2.663 7.979 -8.740 1.00 0.00 H new ATOM 0 HD1 PHE A 151 -3.120 10.292 -8.003 1.00 0.00 H new ATOM 0 HD2 PHE A 151 0.293 9.361 -10.440 1.00 0.00 H new ATOM 0 HE1 PHE A 151 -2.847 12.700 -8.541 1.00 0.00 H new ATOM 0 HE2 PHE A 151 0.568 11.770 -10.973 1.00 0.00 H new ATOM 0 HZ PHE A 151 -1.001 13.436 -10.024 1.00 0.00 H new ATOM 281 N CYS A 152 -2.277 7.211 -5.712 1.00 0.00 N ATOM 282 CA CYS A 152 -3.077 6.251 -4.881 1.00 0.00 C ATOM 283 C CYS A 152 -4.519 6.156 -5.377 1.00 0.00 C ATOM 284 O CYS A 152 -5.282 7.093 -5.252 1.00 0.00 O ATOM 285 CB CYS A 152 -3.113 6.743 -3.437 1.00 0.00 C ATOM 286 SG CYS A 152 -3.792 5.449 -2.377 1.00 0.00 S ATOM 0 H CYS A 152 -2.268 8.171 -5.368 1.00 0.00 H new ATOM 0 HA CYS A 152 -2.604 5.272 -4.955 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -2.109 7.009 -3.107 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.721 7.644 -3.364 1.00 0.00 H new ATOM 0 HG CYS A 152 -4.608 5.978 -1.514 1.00 0.00 H new ATOM 291 N ASP A 153 -4.904 5.021 -5.899 1.00 0.00 N ATOM 292 CA ASP A 153 -6.312 4.855 -6.374 1.00 0.00 C ATOM 293 C ASP A 153 -7.283 4.922 -5.180 1.00 0.00 C ATOM 294 O ASP A 153 -8.471 5.119 -5.353 1.00 0.00 O ATOM 295 CB ASP A 153 -6.452 3.499 -7.071 1.00 0.00 C ATOM 296 CG ASP A 153 -7.709 3.502 -7.943 1.00 0.00 C ATOM 297 OD1 ASP A 153 -7.981 4.525 -8.552 1.00 0.00 O ATOM 298 OD2 ASP A 153 -8.377 2.483 -7.989 1.00 0.00 O ATOM 0 H ASP A 153 -4.307 4.203 -6.017 1.00 0.00 H new ATOM 0 HA ASP A 153 -6.553 5.656 -7.073 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -5.572 3.300 -7.683 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -6.512 2.702 -6.330 1.00 0.00 H new ATOM 303 N ILE A 154 -6.791 4.748 -3.976 1.00 0.00 N ATOM 304 CA ILE A 154 -7.679 4.787 -2.768 1.00 0.00 C ATOM 305 C ILE A 154 -7.915 6.231 -2.334 1.00 0.00 C ATOM 306 O ILE A 154 -8.943 6.553 -1.767 1.00 0.00 O ATOM 307 CB ILE A 154 -6.984 4.054 -1.611 1.00 0.00 C ATOM 308 CG1 ILE A 154 -6.597 2.615 -2.080 1.00 0.00 C ATOM 309 CG2 ILE A 154 -7.883 4.060 -0.350 1.00 0.00 C ATOM 310 CD1 ILE A 154 -7.610 1.560 -1.601 1.00 0.00 C ATOM 0 H ILE A 154 -5.805 4.579 -3.776 1.00 0.00 H new ATOM 0 HA ILE A 154 -8.629 4.314 -3.016 1.00 0.00 H new ATOM 0 HB ILE A 154 -6.065 4.569 -1.331 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -6.537 2.592 -3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.606 2.364 -1.701 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -7.376 3.537 0.461 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -8.082 5.089 -0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -8.825 3.559 -0.572 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -7.301 0.575 -1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -7.651 1.563 -0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -8.596 1.794 -2.002 1.00 0.00 H new ATOM 322 N CYS A 155 -6.953 7.084 -2.544 1.00 0.00 N ATOM 323 CA CYS A 155 -7.094 8.487 -2.091 1.00 0.00 C ATOM 324 C CYS A 155 -7.347 9.437 -3.270 1.00 0.00 C ATOM 325 O CYS A 155 -7.564 10.620 -3.082 1.00 0.00 O ATOM 326 CB CYS A 155 -5.823 8.851 -1.352 1.00 0.00 C ATOM 327 SG CYS A 155 -5.642 7.747 0.080 1.00 0.00 S ATOM 0 H CYS A 155 -6.073 6.865 -3.012 1.00 0.00 H new ATOM 0 HA CYS A 155 -7.958 8.586 -1.433 1.00 0.00 H new ATOM 0 HB2 CYS A 155 -4.962 8.756 -2.013 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -5.861 9.890 -1.025 1.00 0.00 H new ATOM 0 HG CYS A 155 -4.382 7.499 0.280 1.00 0.00 H new ATOM 332 N GLN A 156 -7.346 8.930 -4.480 1.00 0.00 N ATOM 333 CA GLN A 156 -7.613 9.793 -5.668 1.00 0.00 C ATOM 334 C GLN A 156 -6.611 10.951 -5.749 1.00 0.00 C ATOM 335 O GLN A 156 -6.844 11.916 -6.455 1.00 0.00 O ATOM 336 CB GLN A 156 -9.030 10.361 -5.568 1.00 0.00 C ATOM 337 CG GLN A 156 -10.034 9.212 -5.456 1.00 0.00 C ATOM 338 CD GLN A 156 -11.393 9.665 -5.993 1.00 0.00 C ATOM 339 OE1 GLN A 156 -11.557 9.855 -7.182 1.00 0.00 O ATOM 340 NE2 GLN A 156 -12.382 9.848 -5.161 1.00 0.00 N ATOM 0 H GLN A 156 -7.170 7.948 -4.694 1.00 0.00 H new ATOM 0 HA GLN A 156 -7.509 9.184 -6.566 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -9.111 11.014 -4.699 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -9.253 10.968 -6.445 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -9.679 8.349 -6.019 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -10.129 8.898 -4.416 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -12.245 9.689 -4.163 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -13.292 10.150 -5.509 1.00 0.00 H new ATOM 349 N LYS A 157 -5.499 10.874 -5.054 1.00 0.00 N ATOM 350 CA LYS A 157 -4.505 11.973 -5.123 1.00 0.00 C ATOM 351 C LYS A 157 -3.138 11.375 -5.425 1.00 0.00 C ATOM 352 O LYS A 157 -2.976 10.179 -5.491 1.00 0.00 O ATOM 353 CB LYS A 157 -4.460 12.721 -3.786 1.00 0.00 C ATOM 354 CG LYS A 157 -4.304 11.720 -2.637 1.00 0.00 C ATOM 355 CD LYS A 157 -3.390 12.311 -1.554 1.00 0.00 C ATOM 356 CE LYS A 157 -4.033 12.125 -0.176 1.00 0.00 C ATOM 357 NZ LYS A 157 -4.903 13.297 0.128 1.00 0.00 N ATOM 0 H LYS A 157 -5.245 10.096 -4.446 1.00 0.00 H new ATOM 0 HA LYS A 157 -4.785 12.676 -5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -3.629 13.427 -3.781 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -5.372 13.302 -3.653 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -5.280 11.484 -2.213 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -3.884 10.786 -3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -2.416 11.822 -1.580 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -3.220 13.370 -1.747 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -4.621 11.207 -0.158 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -3.261 12.024 0.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -5.340 13.172 1.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -4.329 14.165 0.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -5.647 13.373 -0.594 1.00 0.00 H new ATOM 371 N PHE A 158 -2.160 12.209 -5.606 1.00 0.00 N ATOM 372 CA PHE A 158 -0.775 11.735 -5.906 1.00 0.00 C ATOM 373 C PHE A 158 -0.331 10.640 -4.905 1.00 0.00 C ATOM 374 O PHE A 158 -0.913 10.473 -3.851 1.00 0.00 O ATOM 375 CB PHE A 158 0.156 12.952 -5.746 1.00 0.00 C ATOM 376 CG PHE A 158 0.252 13.267 -4.268 1.00 0.00 C ATOM 377 CD1 PHE A 158 -0.761 13.993 -3.637 1.00 0.00 C ATOM 378 CD2 PHE A 158 1.314 12.749 -3.525 1.00 0.00 C ATOM 379 CE1 PHE A 158 -0.703 14.212 -2.259 1.00 0.00 C ATOM 380 CE2 PHE A 158 1.369 12.958 -2.148 1.00 0.00 C ATOM 381 CZ PHE A 158 0.361 13.691 -1.510 1.00 0.00 C ATOM 0 H PHE A 158 -2.259 13.223 -5.559 1.00 0.00 H new ATOM 0 HA PHE A 158 -0.737 11.313 -6.910 1.00 0.00 H new ATOM 0 HB2 PHE A 158 1.143 12.735 -6.156 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -0.236 13.808 -6.295 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -1.587 14.384 -4.213 1.00 0.00 H new ATOM 0 HD2 PHE A 158 2.093 12.186 -4.017 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -1.478 14.783 -1.770 1.00 0.00 H new ATOM 0 HE2 PHE A 158 2.189 12.554 -1.573 1.00 0.00 H new ATOM 0 HZ PHE A 158 0.403 13.855 -0.443 1.00 0.00 H new ATOM 391 N LEU A 159 0.742 9.964 -5.210 1.00 0.00 N ATOM 392 CA LEU A 159 1.300 8.949 -4.266 1.00 0.00 C ATOM 393 C LEU A 159 2.714 9.405 -3.896 1.00 0.00 C ATOM 394 O LEU A 159 3.480 9.813 -4.750 1.00 0.00 O ATOM 395 CB LEU A 159 1.391 7.576 -4.951 1.00 0.00 C ATOM 396 CG LEU A 159 1.358 6.360 -3.965 1.00 0.00 C ATOM 397 CD1 LEU A 159 1.558 6.730 -2.479 1.00 0.00 C ATOM 398 CD2 LEU A 159 0.023 5.657 -4.099 1.00 0.00 C ATOM 0 H LEU A 159 1.262 10.071 -6.081 1.00 0.00 H new ATOM 0 HA LEU A 159 0.660 8.861 -3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.565 7.479 -5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 159 2.313 7.533 -5.531 1.00 0.00 H new ATOM 0 HG LEU A 159 2.198 5.725 -4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 159 1.520 5.826 -1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 159 2.527 7.213 -2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 159 0.768 7.412 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -0.011 4.808 -3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -0.780 6.352 -3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -0.102 5.305 -5.123 1.00 0.00 H new ATOM 410 N LEU A 160 3.065 9.346 -2.644 1.00 0.00 N ATOM 411 CA LEU A 160 4.424 9.774 -2.218 1.00 0.00 C ATOM 412 C LEU A 160 5.136 8.572 -1.592 1.00 0.00 C ATOM 413 O LEU A 160 4.621 7.471 -1.615 1.00 0.00 O ATOM 414 CB LEU A 160 4.307 10.912 -1.186 1.00 0.00 C ATOM 415 CG LEU A 160 3.123 10.691 -0.227 1.00 0.00 C ATOM 416 CD1 LEU A 160 3.359 9.438 0.620 1.00 0.00 C ATOM 417 CD2 LEU A 160 2.991 11.903 0.697 1.00 0.00 C ATOM 0 H LEU A 160 2.462 9.016 -1.890 1.00 0.00 H new ATOM 0 HA LEU A 160 4.992 10.136 -3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 160 5.232 10.980 -0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 160 4.183 11.863 -1.705 1.00 0.00 H new ATOM 0 HG LEU A 160 2.211 10.563 -0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 160 2.516 9.291 1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 160 3.457 8.571 -0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 160 4.273 9.559 1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 160 2.154 11.752 1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 160 3.909 12.024 1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 160 2.816 12.798 0.100 1.00 0.00 H new ATOM 429 N ASN A 161 6.308 8.765 -1.024 1.00 0.00 N ATOM 430 CA ASN A 161 7.041 7.620 -0.377 1.00 0.00 C ATOM 431 C ASN A 161 6.081 6.918 0.599 1.00 0.00 C ATOM 432 O ASN A 161 5.849 7.398 1.693 1.00 0.00 O ATOM 433 CB ASN A 161 8.247 8.171 0.400 1.00 0.00 C ATOM 434 CG ASN A 161 7.800 9.293 1.343 1.00 0.00 C ATOM 435 OD1 ASN A 161 7.488 9.051 2.492 1.00 0.00 O ATOM 436 ND2 ASN A 161 7.772 10.524 0.907 1.00 0.00 N ATOM 0 H ASN A 161 6.789 9.664 -0.980 1.00 0.00 H new ATOM 0 HA ASN A 161 7.388 6.915 -1.133 1.00 0.00 H new ATOM 0 HB2 ASN A 161 8.717 7.371 0.972 1.00 0.00 H new ATOM 0 HB3 ASN A 161 8.996 8.548 -0.296 1.00 0.00 H new ATOM 0 HD21 ASN A 161 7.489 11.280 1.531 1.00 0.00 H new ATOM 0 HD22 ASN A 161 8.034 10.730 -0.057 1.00 0.00 H new ATOM 443 N GLY A 162 5.483 5.811 0.205 1.00 0.00 N ATOM 444 CA GLY A 162 4.514 5.142 1.115 1.00 0.00 C ATOM 445 C GLY A 162 4.771 3.647 1.139 1.00 0.00 C ATOM 446 O GLY A 162 5.813 3.192 1.575 1.00 0.00 O ATOM 0 H GLY A 162 5.627 5.354 -0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 162 4.605 5.551 2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 162 3.495 5.339 0.782 1.00 0.00 H new ATOM 450 N PHE A 163 3.823 2.882 0.678 1.00 0.00 N ATOM 451 CA PHE A 163 3.991 1.409 0.672 1.00 0.00 C ATOM 452 C PHE A 163 3.465 0.837 -0.643 1.00 0.00 C ATOM 453 O PHE A 163 2.299 0.980 -0.970 1.00 0.00 O ATOM 454 CB PHE A 163 3.192 0.797 1.827 1.00 0.00 C ATOM 455 CG PHE A 163 3.815 1.180 3.148 1.00 0.00 C ATOM 456 CD1 PHE A 163 3.652 2.476 3.652 1.00 0.00 C ATOM 457 CD2 PHE A 163 4.549 0.235 3.875 1.00 0.00 C ATOM 458 CE1 PHE A 163 4.223 2.828 4.881 1.00 0.00 C ATOM 459 CE2 PHE A 163 5.121 0.587 5.103 1.00 0.00 C ATOM 460 CZ PHE A 163 4.958 1.883 5.606 1.00 0.00 C ATOM 0 H PHE A 163 2.936 3.218 0.304 1.00 0.00 H new ATOM 0 HA PHE A 163 5.049 1.172 0.783 1.00 0.00 H new ATOM 0 HB2 PHE A 163 2.159 1.143 1.789 1.00 0.00 H new ATOM 0 HB3 PHE A 163 3.168 -0.288 1.728 1.00 0.00 H new ATOM 0 HD1 PHE A 163 3.085 3.205 3.092 1.00 0.00 H new ATOM 0 HD2 PHE A 163 4.674 -0.766 3.488 1.00 0.00 H new ATOM 0 HE1 PHE A 163 4.096 3.828 5.269 1.00 0.00 H new ATOM 0 HE2 PHE A 163 5.688 -0.142 5.663 1.00 0.00 H new ATOM 0 HZ PHE A 163 5.399 2.154 6.554 1.00 0.00 H new ATOM 470 N ARG A 164 4.311 0.182 -1.388 1.00 0.00 N ATOM 471 CA ARG A 164 3.869 -0.422 -2.675 1.00 0.00 C ATOM 472 C ARG A 164 4.061 -1.933 -2.607 1.00 0.00 C ATOM 473 O ARG A 164 5.090 -2.417 -2.172 1.00 0.00 O ATOM 474 CB ARG A 164 4.737 0.080 -3.822 1.00 0.00 C ATOM 475 CG ARG A 164 4.413 1.537 -4.157 1.00 0.00 C ATOM 476 CD ARG A 164 4.197 1.680 -5.666 1.00 0.00 C ATOM 477 NE ARG A 164 5.420 1.229 -6.388 1.00 0.00 N ATOM 478 CZ ARG A 164 5.439 0.059 -6.966 1.00 0.00 C ATOM 479 NH1 ARG A 164 4.633 -0.189 -7.963 1.00 0.00 N ATOM 480 NH2 ARG A 164 6.263 -0.863 -6.549 1.00 0.00 N ATOM 0 H ARG A 164 5.295 0.039 -1.159 1.00 0.00 H new ATOM 0 HA ARG A 164 2.826 -0.153 -2.839 1.00 0.00 H new ATOM 0 HB2 ARG A 164 5.789 -0.010 -3.553 1.00 0.00 H new ATOM 0 HB3 ARG A 164 4.579 -0.543 -4.702 1.00 0.00 H new ATOM 0 HG2 ARG A 164 3.519 1.854 -3.620 1.00 0.00 H new ATOM 0 HG3 ARG A 164 5.227 2.185 -3.833 1.00 0.00 H new ATOM 0 HD2 ARG A 164 3.338 1.087 -5.979 1.00 0.00 H new ATOM 0 HD3 ARG A 164 3.976 2.718 -5.916 1.00 0.00 H new ATOM 0 HE ARG A 164 6.241 1.833 -6.430 1.00 0.00 H new ATOM 0 HH11 ARG A 164 3.989 0.531 -8.290 1.00 0.00 H new ATOM 0 HH12 ARG A 164 4.647 -1.103 -8.415 1.00 0.00 H new ATOM 0 HH21 ARG A 164 6.893 -0.670 -5.771 1.00 0.00 H new ATOM 0 HH22 ARG A 164 6.277 -1.777 -7.001 1.00 0.00 H new ATOM 494 N CYS A 165 3.083 -2.680 -3.050 1.00 0.00 N ATOM 495 CA CYS A 165 3.211 -4.161 -3.030 1.00 0.00 C ATOM 496 C CYS A 165 4.165 -4.572 -4.148 1.00 0.00 C ATOM 497 O CYS A 165 4.004 -4.176 -5.288 1.00 0.00 O ATOM 498 CB CYS A 165 1.842 -4.803 -3.234 1.00 0.00 C ATOM 499 SG CYS A 165 1.987 -6.593 -3.049 1.00 0.00 S ATOM 0 H CYS A 165 2.203 -2.325 -3.424 1.00 0.00 H new ATOM 0 HA CYS A 165 3.602 -4.495 -2.069 1.00 0.00 H new ATOM 0 HB2 CYS A 165 1.131 -4.408 -2.509 1.00 0.00 H new ATOM 0 HB3 CYS A 165 1.457 -4.558 -4.224 1.00 0.00 H new ATOM 0 HG CYS A 165 0.824 -7.094 -2.754 1.00 0.00 H new ATOM 504 N GLN A 166 5.173 -5.340 -3.810 1.00 0.00 N ATOM 505 CA GLN A 166 6.186 -5.763 -4.827 1.00 0.00 C ATOM 506 C GLN A 166 5.788 -7.079 -5.505 1.00 0.00 C ATOM 507 O GLN A 166 6.603 -7.708 -6.155 1.00 0.00 O ATOM 508 CB GLN A 166 7.539 -5.944 -4.135 1.00 0.00 C ATOM 509 CG GLN A 166 8.328 -4.635 -4.202 1.00 0.00 C ATOM 510 CD GLN A 166 9.826 -4.943 -4.257 1.00 0.00 C ATOM 511 OE1 GLN A 166 10.564 -4.588 -3.360 1.00 0.00 O ATOM 512 NE2 GLN A 166 10.308 -5.595 -5.280 1.00 0.00 N ATOM 0 H GLN A 166 5.338 -5.694 -2.868 1.00 0.00 H new ATOM 0 HA GLN A 166 6.244 -4.991 -5.594 1.00 0.00 H new ATOM 0 HB2 GLN A 166 7.391 -6.239 -3.096 1.00 0.00 H new ATOM 0 HB3 GLN A 166 8.101 -6.744 -4.616 1.00 0.00 H new ATOM 0 HG2 GLN A 166 8.031 -4.064 -5.082 1.00 0.00 H new ATOM 0 HG3 GLN A 166 8.105 -4.019 -3.331 1.00 0.00 H new ATOM 0 HE21 GLN A 166 9.688 -5.893 -6.033 1.00 0.00 H new ATOM 0 HE22 GLN A 166 11.305 -5.807 -5.326 1.00 0.00 H new ATOM 521 N THR A 167 4.554 -7.497 -5.380 1.00 0.00 N ATOM 522 CA THR A 167 4.129 -8.767 -6.042 1.00 0.00 C ATOM 523 C THR A 167 3.089 -8.435 -7.110 1.00 0.00 C ATOM 524 O THR A 167 3.090 -9.003 -8.187 1.00 0.00 O ATOM 525 CB THR A 167 3.533 -9.739 -5.013 1.00 0.00 C ATOM 526 OG1 THR A 167 3.308 -9.067 -3.782 1.00 0.00 O ATOM 527 CG2 THR A 167 4.497 -10.905 -4.780 1.00 0.00 C ATOM 0 H THR A 167 3.826 -7.017 -4.851 1.00 0.00 H new ATOM 0 HA THR A 167 4.995 -9.247 -6.499 1.00 0.00 H new ATOM 0 HB THR A 167 2.586 -10.118 -5.397 1.00 0.00 H new ATOM 0 HG1 THR A 167 2.682 -8.327 -3.923 1.00 0.00 H new ATOM 0 HG21 THR A 167 4.069 -11.591 -4.049 1.00 0.00 H new ATOM 0 HG22 THR A 167 4.663 -11.433 -5.719 1.00 0.00 H new ATOM 0 HG23 THR A 167 5.447 -10.523 -4.406 1.00 0.00 H new ATOM 535 N CYS A 168 2.213 -7.506 -6.826 1.00 0.00 N ATOM 536 CA CYS A 168 1.184 -7.116 -7.828 1.00 0.00 C ATOM 537 C CYS A 168 1.451 -5.683 -8.314 1.00 0.00 C ATOM 538 O CYS A 168 0.926 -5.267 -9.331 1.00 0.00 O ATOM 539 CB CYS A 168 -0.220 -7.214 -7.210 1.00 0.00 C ATOM 540 SG CYS A 168 -0.352 -6.130 -5.764 1.00 0.00 S ATOM 0 H CYS A 168 2.168 -7.001 -5.941 1.00 0.00 H new ATOM 0 HA CYS A 168 1.238 -7.796 -8.678 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -0.970 -6.936 -7.950 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -0.425 -8.244 -6.920 1.00 0.00 H new ATOM 0 HG CYS A 168 0.552 -6.460 -4.890 1.00 0.00 H new ATOM 545 N GLY A 169 2.262 -4.923 -7.604 1.00 0.00 N ATOM 546 CA GLY A 169 2.548 -3.529 -8.041 1.00 0.00 C ATOM 547 C GLY A 169 1.451 -2.611 -7.518 1.00 0.00 C ATOM 548 O GLY A 169 0.816 -1.896 -8.271 1.00 0.00 O ATOM 0 H GLY A 169 2.731 -5.214 -6.747 1.00 0.00 H new ATOM 0 HA2 GLY A 169 3.519 -3.208 -7.664 1.00 0.00 H new ATOM 0 HA3 GLY A 169 2.595 -3.478 -9.129 1.00 0.00 H new ATOM 552 N TYR A 170 1.226 -2.621 -6.229 1.00 0.00 N ATOM 553 CA TYR A 170 0.166 -1.739 -5.648 1.00 0.00 C ATOM 554 C TYR A 170 0.828 -0.467 -5.126 1.00 0.00 C ATOM 555 O TYR A 170 2.024 -0.441 -4.898 1.00 0.00 O ATOM 556 CB TYR A 170 -0.555 -2.471 -4.506 1.00 0.00 C ATOM 557 CG TYR A 170 -2.053 -2.345 -4.681 1.00 0.00 C ATOM 558 CD1 TYR A 170 -2.707 -1.162 -4.316 1.00 0.00 C ATOM 559 CD2 TYR A 170 -2.791 -3.413 -5.209 1.00 0.00 C ATOM 560 CE1 TYR A 170 -4.093 -1.046 -4.479 1.00 0.00 C ATOM 561 CE2 TYR A 170 -4.176 -3.296 -5.371 1.00 0.00 C ATOM 562 CZ TYR A 170 -4.827 -2.114 -5.007 1.00 0.00 C ATOM 563 OH TYR A 170 -6.192 -1.999 -5.167 1.00 0.00 O ATOM 0 H TYR A 170 1.728 -3.199 -5.555 1.00 0.00 H new ATOM 0 HA TYR A 170 -0.570 -1.485 -6.411 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -0.268 -3.522 -4.497 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -0.255 -2.051 -3.546 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -2.141 -0.337 -3.908 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -2.290 -4.327 -5.491 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.595 -0.132 -4.197 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -4.743 -4.120 -5.778 1.00 0.00 H new ATOM 0 HH TYR A 170 -6.548 -2.829 -5.546 1.00 0.00 H new ATOM 573 N LYS A 171 0.072 0.589 -4.945 1.00 0.00 N ATOM 574 CA LYS A 171 0.674 1.860 -4.450 1.00 0.00 C ATOM 575 C LYS A 171 -0.348 2.580 -3.580 1.00 0.00 C ATOM 576 O LYS A 171 -1.408 2.949 -4.055 1.00 0.00 O ATOM 577 CB LYS A 171 1.042 2.740 -5.651 1.00 0.00 C ATOM 578 CG LYS A 171 -0.180 2.914 -6.567 1.00 0.00 C ATOM 579 CD LYS A 171 0.267 2.922 -8.038 1.00 0.00 C ATOM 580 CE LYS A 171 -0.304 1.700 -8.766 1.00 0.00 C ATOM 581 NZ LYS A 171 0.716 1.164 -9.710 1.00 0.00 N ATOM 0 H LYS A 171 -0.932 0.623 -5.119 1.00 0.00 H new ATOM 0 HA LYS A 171 1.570 1.652 -3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 171 1.390 3.714 -5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 171 1.862 2.287 -6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 171 -0.891 2.105 -6.398 1.00 0.00 H new ATOM 0 HG3 LYS A 171 -0.695 3.845 -6.329 1.00 0.00 H new ATOM 0 HD2 LYS A 171 -0.072 3.837 -8.525 1.00 0.00 H new ATOM 0 HD3 LYS A 171 1.355 2.914 -8.096 1.00 0.00 H new ATOM 0 HE2 LYS A 171 -0.587 0.933 -8.045 1.00 0.00 H new ATOM 0 HE3 LYS A 171 -1.208 1.976 -9.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 0.330 0.335 -10.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 0.965 1.897 -10.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 1.567 0.886 -9.181 1.00 0.00 H new ATOM 595 N PHE A 172 -0.065 2.772 -2.307 1.00 0.00 N ATOM 596 CA PHE A 172 -1.070 3.455 -1.445 1.00 0.00 C ATOM 597 C PHE A 172 -0.480 3.879 -0.075 1.00 0.00 C ATOM 598 O PHE A 172 0.478 3.315 0.414 1.00 0.00 O ATOM 599 CB PHE A 172 -2.278 2.515 -1.312 1.00 0.00 C ATOM 600 CG PHE A 172 -1.997 1.350 -0.384 1.00 0.00 C ATOM 601 CD1 PHE A 172 -1.931 1.551 0.995 1.00 0.00 C ATOM 602 CD2 PHE A 172 -1.836 0.065 -0.909 1.00 0.00 C ATOM 603 CE1 PHE A 172 -1.702 0.477 1.855 1.00 0.00 C ATOM 604 CE2 PHE A 172 -1.607 -1.014 -0.051 1.00 0.00 C ATOM 605 CZ PHE A 172 -1.540 -0.812 1.333 1.00 0.00 C ATOM 0 H PHE A 172 0.799 2.490 -1.844 1.00 0.00 H new ATOM 0 HA PHE A 172 -1.386 4.391 -1.905 1.00 0.00 H new ATOM 0 HB2 PHE A 172 -3.134 3.077 -0.938 1.00 0.00 H new ATOM 0 HB3 PHE A 172 -2.551 2.135 -2.297 1.00 0.00 H new ATOM 0 HD1 PHE A 172 -2.058 2.544 1.399 1.00 0.00 H new ATOM 0 HD2 PHE A 172 -1.888 -0.094 -1.976 1.00 0.00 H new ATOM 0 HE1 PHE A 172 -1.650 0.639 2.921 1.00 0.00 H new ATOM 0 HE2 PHE A 172 -1.481 -2.007 -0.457 1.00 0.00 H new ATOM 0 HZ PHE A 172 -1.364 -1.647 1.995 1.00 0.00 H new ATOM 615 N HIS A 173 -1.050 4.913 0.507 1.00 0.00 N ATOM 616 CA HIS A 173 -0.558 5.478 1.822 1.00 0.00 C ATOM 617 C HIS A 173 -1.096 4.668 3.052 1.00 0.00 C ATOM 618 O HIS A 173 -1.071 3.457 3.050 1.00 0.00 O ATOM 619 CB HIS A 173 -0.994 6.958 1.946 1.00 0.00 C ATOM 620 CG HIS A 173 -1.161 7.623 0.634 1.00 0.00 C ATOM 621 ND1 HIS A 173 -2.380 7.608 -0.053 1.00 0.00 N ATOM 622 CD2 HIS A 173 -0.318 8.402 -0.075 1.00 0.00 C ATOM 623 CE1 HIS A 173 -2.199 8.394 -1.121 1.00 0.00 C ATOM 624 NE2 HIS A 173 -0.959 8.893 -1.175 1.00 0.00 N ATOM 0 H HIS A 173 -1.856 5.404 0.120 1.00 0.00 H new ATOM 0 HA HIS A 173 0.529 5.402 1.827 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -1.934 7.009 2.496 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -0.252 7.502 2.531 1.00 0.00 H new ATOM 0 HD2 HIS A 173 0.709 8.606 0.188 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -2.965 8.601 -1.854 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -0.573 9.511 -1.889 1.00 0.00 H new ATOM 632 N GLU A 174 -1.546 5.330 4.126 1.00 0.00 N ATOM 633 CA GLU A 174 -2.039 4.596 5.338 1.00 0.00 C ATOM 634 C GLU A 174 -3.572 4.435 5.309 1.00 0.00 C ATOM 635 O GLU A 174 -4.120 3.602 6.003 1.00 0.00 O ATOM 636 CB GLU A 174 -1.639 5.382 6.590 1.00 0.00 C ATOM 637 CG GLU A 174 -1.250 4.409 7.709 1.00 0.00 C ATOM 638 CD GLU A 174 -0.070 4.980 8.498 1.00 0.00 C ATOM 639 OE1 GLU A 174 0.832 5.514 7.871 1.00 0.00 O ATOM 640 OE2 GLU A 174 -0.088 4.876 9.714 1.00 0.00 O ATOM 0 H GLU A 174 -1.586 6.347 4.198 1.00 0.00 H new ATOM 0 HA GLU A 174 -1.591 3.602 5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -0.803 6.044 6.364 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -2.466 6.013 6.915 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -2.099 4.244 8.373 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -0.983 3.440 7.286 1.00 0.00 H new ATOM 647 N HIS A 175 -4.270 5.197 4.492 1.00 0.00 N ATOM 648 CA HIS A 175 -5.767 5.057 4.396 1.00 0.00 C ATOM 649 C HIS A 175 -6.094 3.999 3.354 1.00 0.00 C ATOM 650 O HIS A 175 -7.097 4.090 2.659 1.00 0.00 O ATOM 651 CB HIS A 175 -6.358 6.364 3.867 1.00 0.00 C ATOM 652 CG HIS A 175 -6.427 7.384 4.970 1.00 0.00 C ATOM 653 ND1 HIS A 175 -7.649 7.838 5.494 1.00 0.00 N ATOM 654 CD2 HIS A 175 -5.449 8.048 5.665 1.00 0.00 C ATOM 655 CE1 HIS A 175 -7.347 8.730 6.455 1.00 0.00 C ATOM 656 NE2 HIS A 175 -6.024 8.884 6.587 1.00 0.00 N ATOM 0 H HIS A 175 -3.867 5.912 3.886 1.00 0.00 H new ATOM 0 HA HIS A 175 -6.165 4.801 5.378 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -5.747 6.743 3.048 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -7.355 6.185 3.464 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -4.387 7.930 5.510 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -8.081 9.257 7.047 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -5.541 9.499 7.242 1.00 0.00 H new ATOM 664 N CYS A 176 -5.213 3.066 3.147 1.00 0.00 N ATOM 665 CA CYS A 176 -5.419 2.114 2.059 1.00 0.00 C ATOM 666 C CYS A 176 -4.700 0.794 2.353 1.00 0.00 C ATOM 667 O CYS A 176 -4.358 0.053 1.451 1.00 0.00 O ATOM 668 CB CYS A 176 -4.871 2.779 0.773 1.00 0.00 C ATOM 669 SG CYS A 176 -3.950 4.357 1.111 1.00 0.00 S ATOM 0 H CYS A 176 -4.362 2.932 3.692 1.00 0.00 H new ATOM 0 HA CYS A 176 -6.476 1.873 1.943 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -4.209 2.080 0.262 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -5.700 2.986 0.096 1.00 0.00 H new ATOM 0 HG CYS A 176 -3.768 5.001 -0.004 1.00 0.00 H new ATOM 674 N SER A 177 -4.490 0.488 3.609 1.00 0.00 N ATOM 675 CA SER A 177 -3.812 -0.789 3.974 1.00 0.00 C ATOM 676 C SER A 177 -4.871 -1.838 4.333 1.00 0.00 C ATOM 677 O SER A 177 -4.918 -2.908 3.756 1.00 0.00 O ATOM 678 CB SER A 177 -2.889 -0.552 5.175 1.00 0.00 C ATOM 679 OG SER A 177 -1.536 -0.639 4.750 1.00 0.00 O ATOM 0 H SER A 177 -4.761 1.072 4.400 1.00 0.00 H new ATOM 0 HA SER A 177 -3.219 -1.145 3.131 1.00 0.00 H new ATOM 0 HB2 SER A 177 -3.083 0.428 5.610 1.00 0.00 H new ATOM 0 HB3 SER A 177 -3.087 -1.291 5.952 1.00 0.00 H new ATOM 0 HG SER A 177 -1.507 -0.820 3.787 1.00 0.00 H new ATOM 685 N THR A 178 -5.722 -1.533 5.282 1.00 0.00 N ATOM 686 CA THR A 178 -6.782 -2.502 5.687 1.00 0.00 C ATOM 687 C THR A 178 -8.038 -2.278 4.838 1.00 0.00 C ATOM 688 O THR A 178 -8.825 -3.184 4.637 1.00 0.00 O ATOM 689 CB THR A 178 -7.125 -2.300 7.166 1.00 0.00 C ATOM 690 OG1 THR A 178 -8.222 -3.134 7.513 1.00 0.00 O ATOM 691 CG2 THR A 178 -7.499 -0.837 7.410 1.00 0.00 C ATOM 0 H THR A 178 -5.726 -0.651 5.794 1.00 0.00 H new ATOM 0 HA THR A 178 -6.417 -3.518 5.533 1.00 0.00 H new ATOM 0 HB THR A 178 -6.261 -2.559 7.778 1.00 0.00 H new ATOM 0 HG1 THR A 178 -8.442 -3.008 8.459 1.00 0.00 H new ATOM 0 HG21 THR A 178 -7.743 -0.695 8.463 1.00 0.00 H new ATOM 0 HG22 THR A 178 -6.658 -0.197 7.142 1.00 0.00 H new ATOM 0 HG23 THR A 178 -8.363 -0.575 6.799 1.00 0.00 H new ATOM 699 N LYS A 179 -8.230 -1.083 4.339 1.00 0.00 N ATOM 700 CA LYS A 179 -9.434 -0.799 3.503 1.00 0.00 C ATOM 701 C LYS A 179 -9.091 -0.962 2.018 1.00 0.00 C ATOM 702 O LYS A 179 -9.765 -0.417 1.161 1.00 0.00 O ATOM 703 CB LYS A 179 -9.905 0.634 3.760 1.00 0.00 C ATOM 704 CG LYS A 179 -11.430 0.701 3.644 1.00 0.00 C ATOM 705 CD LYS A 179 -11.840 2.053 3.051 1.00 0.00 C ATOM 706 CE LYS A 179 -13.221 2.445 3.579 1.00 0.00 C ATOM 707 NZ LYS A 179 -14.239 1.479 3.076 1.00 0.00 N ATOM 0 H LYS A 179 -7.603 -0.290 4.475 1.00 0.00 H new ATOM 0 HA LYS A 179 -10.226 -1.500 3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -9.591 0.959 4.752 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -9.445 1.313 3.042 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -11.793 -0.110 3.012 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -11.886 0.569 4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -11.108 2.815 3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -11.858 1.994 1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -13.217 2.451 4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -13.472 3.455 3.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -15.192 1.828 3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -14.145 1.381 2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -14.091 0.553 3.526 1.00 0.00 H new ATOM 721 N VAL A 180 -8.057 -1.706 1.701 1.00 0.00 N ATOM 722 CA VAL A 180 -7.684 -1.900 0.271 1.00 0.00 C ATOM 723 C VAL A 180 -8.654 -2.922 -0.370 1.00 0.00 C ATOM 724 O VAL A 180 -8.947 -3.931 0.239 1.00 0.00 O ATOM 725 CB VAL A 180 -6.238 -2.415 0.188 1.00 0.00 C ATOM 726 CG1 VAL A 180 -6.115 -3.755 0.922 1.00 0.00 C ATOM 727 CG2 VAL A 180 -5.836 -2.597 -1.280 1.00 0.00 C ATOM 0 H VAL A 180 -7.458 -2.185 2.373 1.00 0.00 H new ATOM 0 HA VAL A 180 -7.754 -0.954 -0.266 1.00 0.00 H new ATOM 0 HB VAL A 180 -5.576 -1.687 0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -5.087 -4.112 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -6.389 -3.623 1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -6.782 -4.484 0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -4.810 -2.962 -1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -6.503 -3.318 -1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -5.908 -1.641 -1.798 1.00 0.00 H new