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 152 CYS SG : rot 140:sc= -2.13 USER MOD Set 1.2: A 155 CYS SG : rot 137:sc= -0.295! USER MOD Set 1.3: A 173 HIS : no HD1:sc= -4.36! C(o=-12!,f=-15!) USER MOD Set 1.4: A 176 CYS SG : rot 174:sc= -5.61! USER MOD Set 2.1: A 139 HIS :FLIP no HE2:sc= -2.76! F(o=-2.5,f=-1.7!) USER MOD Set 2.2: A 165 CYS SG : rot 161:sc= 0.741 USER MOD Set 2.3: A 168 CYS SG : rot -62:sc= 0.363 USER MOD Single : A 140 ASN : amide:sc= 0.00851 K(o=0.0085,f=-1) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 THR OG1 : rot 180:sc= -0.263 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=-0.014) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 ASN : amide:sc= -2.3 K(o=-2.3,f=-3.1!) USER MOD Single : A 166 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 167 THR OG1 : rot -174:sc= -1.17 USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00522) USER MOD Single : A 175 HIS : no HD1:sc= -0.0881 X(o=-0.088,f=-0.014) USER MOD Single : A 177 SER OG : rot 9:sc= 0.172 USER MOD Single : A 178 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N HIS A 139 0.389 -11.393 -3.060 1.00 0.00 N ATOM 51 CA HIS A 139 0.518 -9.934 -2.773 1.00 0.00 C ATOM 52 C HIS A 139 1.767 -9.711 -1.905 1.00 0.00 C ATOM 53 O HIS A 139 2.540 -10.623 -1.678 1.00 0.00 O ATOM 54 CB HIS A 139 -0.744 -9.395 -2.075 1.00 0.00 C ATOM 55 CG HIS A 139 -1.749 -8.901 -3.110 1.00 0.00 C ATOM 56 ND1 HIS A 139 -3.102 -8.621 -3.037 1.00 0.00 N flip ATOM 57 CD2 HIS A 139 -1.402 -8.709 -4.459 1.00 0.00 C flip ATOM 58 CE1 HIS A 139 -3.576 -8.301 -4.283 1.00 0.00 C flip ATOM 59 NE2 HIS A 139 -2.531 -8.367 -5.108 1.00 0.00 N flip ATOM 0 HA HIS A 139 0.624 -9.387 -3.710 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.194 -10.179 -1.466 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -0.476 -8.582 -1.401 1.00 0.00 H new ATOM 0 HD1 HIS A 139 -3.662 -8.649 -2.185 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -0.418 -8.815 -4.892 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -4.593 -8.046 -4.544 1.00 0.00 H new ATOM 67 N ASN A 140 1.986 -8.506 -1.450 1.00 0.00 N ATOM 68 CA ASN A 140 3.195 -8.200 -0.630 1.00 0.00 C ATOM 69 C ASN A 140 2.953 -6.922 0.175 1.00 0.00 C ATOM 70 O ASN A 140 1.954 -6.260 -0.006 1.00 0.00 O ATOM 71 CB ASN A 140 4.392 -7.994 -1.574 1.00 0.00 C ATOM 72 CG ASN A 140 5.622 -8.720 -1.017 1.00 0.00 C ATOM 73 OD1 ASN A 140 6.286 -8.220 -0.130 1.00 0.00 O ATOM 74 ND2 ASN A 140 5.956 -9.886 -1.502 1.00 0.00 N ATOM 0 H ASN A 140 1.370 -7.710 -1.614 1.00 0.00 H new ATOM 0 HA ASN A 140 3.400 -9.023 0.055 1.00 0.00 H new ATOM 0 HB2 ASN A 140 4.153 -8.373 -2.568 1.00 0.00 H new ATOM 0 HB3 ASN A 140 4.604 -6.930 -1.681 1.00 0.00 H new ATOM 0 HD21 ASN A 140 6.773 -10.375 -1.136 1.00 0.00 H new ATOM 0 HD22 ASN A 140 5.400 -10.307 -2.246 1.00 0.00 H new ATOM 81 N PHE A 141 3.877 -6.554 1.029 1.00 0.00 N ATOM 82 CA PHE A 141 3.726 -5.289 1.815 1.00 0.00 C ATOM 83 C PHE A 141 5.105 -4.844 2.305 1.00 0.00 C ATOM 84 O PHE A 141 5.584 -5.289 3.332 1.00 0.00 O ATOM 85 CB PHE A 141 2.781 -5.518 3.011 1.00 0.00 C ATOM 86 CG PHE A 141 1.435 -4.792 2.871 1.00 0.00 C ATOM 87 CD1 PHE A 141 0.986 -4.224 1.654 1.00 0.00 C ATOM 88 CD2 PHE A 141 0.615 -4.708 4.002 1.00 0.00 C ATOM 89 CE1 PHE A 141 -0.259 -3.589 1.592 1.00 0.00 C ATOM 90 CE2 PHE A 141 -0.628 -4.068 3.934 1.00 0.00 C ATOM 91 CZ PHE A 141 -1.064 -3.510 2.731 1.00 0.00 C ATOM 0 H PHE A 141 4.732 -7.077 1.216 1.00 0.00 H new ATOM 0 HA PHE A 141 3.295 -4.512 1.183 1.00 0.00 H new ATOM 0 HB2 PHE A 141 2.599 -6.587 3.122 1.00 0.00 H new ATOM 0 HB3 PHE A 141 3.274 -5.182 3.924 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.606 -4.281 0.772 1.00 0.00 H new ATOM 0 HD2 PHE A 141 0.944 -5.141 4.935 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -0.599 -3.159 0.661 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -1.251 -4.006 4.814 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.024 -3.017 2.681 1.00 0.00 H new ATOM 101 N ALA A 142 5.743 -3.967 1.574 1.00 0.00 N ATOM 102 CA ALA A 142 7.092 -3.480 1.981 1.00 0.00 C ATOM 103 C ALA A 142 7.106 -1.950 1.962 1.00 0.00 C ATOM 104 O ALA A 142 6.606 -1.329 1.043 1.00 0.00 O ATOM 105 CB ALA A 142 8.140 -4.010 1.002 1.00 0.00 C ATOM 0 H ALA A 142 5.384 -3.566 0.708 1.00 0.00 H new ATOM 0 HA ALA A 142 7.320 -3.835 2.986 1.00 0.00 H new ATOM 0 HB1 ALA A 142 9.127 -3.655 1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 142 8.129 -5.100 1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 142 7.913 -3.654 -0.003 1.00 0.00 H new ATOM 111 N ARG A 143 7.672 -1.343 2.974 1.00 0.00 N ATOM 112 CA ARG A 143 7.719 0.150 3.025 1.00 0.00 C ATOM 113 C ARG A 143 8.785 0.669 2.054 1.00 0.00 C ATOM 114 O ARG A 143 9.956 0.369 2.188 1.00 0.00 O ATOM 115 CB ARG A 143 8.055 0.605 4.451 1.00 0.00 C ATOM 116 CG ARG A 143 9.410 0.029 4.885 1.00 0.00 C ATOM 117 CD ARG A 143 9.360 -0.365 6.365 1.00 0.00 C ATOM 118 NE ARG A 143 9.967 -1.714 6.540 1.00 0.00 N ATOM 119 CZ ARG A 143 9.237 -2.707 6.966 1.00 0.00 C ATOM 120 NH1 ARG A 143 8.447 -2.544 7.991 1.00 0.00 N ATOM 121 NH2 ARG A 143 9.298 -3.866 6.367 1.00 0.00 N ATOM 0 H ARG A 143 8.104 -1.817 3.767 1.00 0.00 H new ATOM 0 HA ARG A 143 6.747 0.550 2.737 1.00 0.00 H new ATOM 0 HB2 ARG A 143 8.083 1.694 4.496 1.00 0.00 H new ATOM 0 HB3 ARG A 143 7.275 0.277 5.138 1.00 0.00 H new ATOM 0 HG2 ARG A 143 9.657 -0.841 4.276 1.00 0.00 H new ATOM 0 HG3 ARG A 143 10.197 0.765 4.722 1.00 0.00 H new ATOM 0 HD2 ARG A 143 9.898 0.368 6.966 1.00 0.00 H new ATOM 0 HD3 ARG A 143 8.328 -0.370 6.716 1.00 0.00 H new ATOM 0 HE ARG A 143 10.954 -1.861 6.327 1.00 0.00 H new ATOM 0 HH11 ARG A 143 8.400 -1.639 8.460 1.00 0.00 H new ATOM 0 HH12 ARG A 143 7.876 -3.321 8.324 1.00 0.00 H new ATOM 0 HH21 ARG A 143 9.917 -3.994 5.566 1.00 0.00 H new ATOM 0 HH22 ARG A 143 8.727 -4.643 6.700 1.00 0.00 H new ATOM 135 N LYS A 144 8.384 1.450 1.087 1.00 0.00 N ATOM 136 CA LYS A 144 9.362 2.003 0.104 1.00 0.00 C ATOM 137 C LYS A 144 8.784 3.277 -0.515 1.00 0.00 C ATOM 138 O LYS A 144 7.707 3.714 -0.155 1.00 0.00 O ATOM 139 CB LYS A 144 9.630 0.974 -0.996 1.00 0.00 C ATOM 140 CG LYS A 144 8.303 0.495 -1.587 1.00 0.00 C ATOM 141 CD LYS A 144 8.535 -0.786 -2.389 1.00 0.00 C ATOM 142 CE LYS A 144 9.405 -0.483 -3.614 1.00 0.00 C ATOM 143 NZ LYS A 144 10.467 -1.521 -3.740 1.00 0.00 N ATOM 0 H LYS A 144 7.415 1.731 0.934 1.00 0.00 H new ATOM 0 HA LYS A 144 10.299 2.233 0.612 1.00 0.00 H new ATOM 0 HB2 LYS A 144 10.249 1.415 -1.777 1.00 0.00 H new ATOM 0 HB3 LYS A 144 10.185 0.128 -0.589 1.00 0.00 H new ATOM 0 HG2 LYS A 144 7.583 0.312 -0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 144 7.879 1.267 -2.229 1.00 0.00 H new ATOM 0 HD2 LYS A 144 9.021 -1.535 -1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 144 7.580 -1.206 -2.705 1.00 0.00 H new ATOM 0 HE2 LYS A 144 8.790 -0.465 -4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 144 9.857 0.504 -3.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 11.057 -1.315 -4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 11.060 -1.517 -2.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 10.027 -2.457 -3.851 1.00 0.00 H new ATOM 157 N THR A 145 9.491 3.874 -1.441 1.00 0.00 N ATOM 158 CA THR A 145 8.983 5.123 -2.082 1.00 0.00 C ATOM 159 C THR A 145 9.149 5.032 -3.599 1.00 0.00 C ATOM 160 O THR A 145 9.746 4.106 -4.115 1.00 0.00 O ATOM 161 CB THR A 145 9.764 6.324 -1.543 1.00 0.00 C ATOM 162 OG1 THR A 145 9.360 7.505 -2.221 1.00 0.00 O ATOM 163 CG2 THR A 145 11.255 6.097 -1.759 1.00 0.00 C ATOM 0 H THR A 145 10.397 3.550 -1.780 1.00 0.00 H new ATOM 0 HA THR A 145 7.925 5.246 -1.849 1.00 0.00 H new ATOM 0 HB THR A 145 9.562 6.436 -0.478 1.00 0.00 H new ATOM 0 HG1 THR A 145 9.862 8.271 -1.871 1.00 0.00 H new ATOM 0 HG21 THR A 145 11.812 6.952 -1.376 1.00 0.00 H new ATOM 0 HG22 THR A 145 11.566 5.195 -1.232 1.00 0.00 H new ATOM 0 HG23 THR A 145 11.455 5.982 -2.824 1.00 0.00 H new ATOM 171 N PHE A 146 8.609 5.983 -4.315 1.00 0.00 N ATOM 172 CA PHE A 146 8.711 5.964 -5.803 1.00 0.00 C ATOM 173 C PHE A 146 9.766 6.972 -6.265 1.00 0.00 C ATOM 174 O PHE A 146 9.780 8.111 -5.835 1.00 0.00 O ATOM 175 CB PHE A 146 7.351 6.336 -6.401 1.00 0.00 C ATOM 176 CG PHE A 146 6.288 5.412 -5.851 1.00 0.00 C ATOM 177 CD1 PHE A 146 5.803 5.595 -4.548 1.00 0.00 C ATOM 178 CD2 PHE A 146 5.792 4.373 -6.642 1.00 0.00 C ATOM 179 CE1 PHE A 146 4.823 4.735 -4.042 1.00 0.00 C ATOM 180 CE2 PHE A 146 4.811 3.513 -6.135 1.00 0.00 C ATOM 181 CZ PHE A 146 4.327 3.694 -4.834 1.00 0.00 C ATOM 0 H PHE A 146 8.098 6.777 -3.929 1.00 0.00 H new ATOM 0 HA PHE A 146 9.002 4.968 -6.136 1.00 0.00 H new ATOM 0 HB2 PHE A 146 7.107 7.371 -6.161 1.00 0.00 H new ATOM 0 HB3 PHE A 146 7.387 6.260 -7.488 1.00 0.00 H new ATOM 0 HD1 PHE A 146 6.186 6.399 -3.936 1.00 0.00 H new ATOM 0 HD2 PHE A 146 6.166 4.233 -7.646 1.00 0.00 H new ATOM 0 HE1 PHE A 146 4.449 4.875 -3.039 1.00 0.00 H new ATOM 0 HE2 PHE A 146 4.428 2.710 -6.747 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.571 3.030 -4.442 1.00 0.00 H new ATOM 191 N LEU A 147 10.646 6.560 -7.143 1.00 0.00 N ATOM 192 CA LEU A 147 11.702 7.486 -7.647 1.00 0.00 C ATOM 193 C LEU A 147 11.044 8.611 -8.447 1.00 0.00 C ATOM 194 O LEU A 147 11.477 9.748 -8.414 1.00 0.00 O ATOM 195 CB LEU A 147 12.673 6.713 -8.552 1.00 0.00 C ATOM 196 CG LEU A 147 14.115 7.195 -8.332 1.00 0.00 C ATOM 197 CD1 LEU A 147 14.223 8.693 -8.637 1.00 0.00 C ATOM 198 CD2 LEU A 147 14.531 6.938 -6.880 1.00 0.00 C ATOM 0 H LEU A 147 10.677 5.618 -7.533 1.00 0.00 H new ATOM 0 HA LEU A 147 12.252 7.908 -6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 147 12.604 5.646 -8.341 1.00 0.00 H new ATOM 0 HB3 LEU A 147 12.393 6.850 -9.596 1.00 0.00 H new ATOM 0 HG LEU A 147 14.776 6.646 -9.003 1.00 0.00 H new ATOM 0 HD11 LEU A 147 15.249 9.024 -8.478 1.00 0.00 H new ATOM 0 HD12 LEU A 147 13.940 8.875 -9.674 1.00 0.00 H new ATOM 0 HD13 LEU A 147 13.556 9.248 -7.977 1.00 0.00 H new ATOM 0 HD21 LEU A 147 15.554 7.281 -6.728 1.00 0.00 H new ATOM 0 HD22 LEU A 147 13.864 7.479 -6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 147 14.471 5.870 -6.668 1.00 0.00 H new ATOM 210 N LYS A 148 9.997 8.295 -9.166 1.00 0.00 N ATOM 211 CA LYS A 148 9.294 9.334 -9.975 1.00 0.00 C ATOM 212 C LYS A 148 7.984 9.710 -9.274 1.00 0.00 C ATOM 213 O LYS A 148 7.811 9.455 -8.096 1.00 0.00 O ATOM 214 CB LYS A 148 9.000 8.780 -11.374 1.00 0.00 C ATOM 215 CG LYS A 148 10.291 8.228 -11.988 1.00 0.00 C ATOM 216 CD LYS A 148 10.233 8.359 -13.513 1.00 0.00 C ATOM 217 CE LYS A 148 9.726 7.049 -14.128 1.00 0.00 C ATOM 218 NZ LYS A 148 10.588 6.678 -15.285 1.00 0.00 N ATOM 0 H LYS A 148 9.598 7.358 -9.227 1.00 0.00 H new ATOM 0 HA LYS A 148 9.922 10.220 -10.070 1.00 0.00 H new ATOM 0 HB2 LYS A 148 8.248 7.993 -11.314 1.00 0.00 H new ATOM 0 HB3 LYS A 148 8.590 9.565 -12.009 1.00 0.00 H new ATOM 0 HG2 LYS A 148 11.152 8.772 -11.599 1.00 0.00 H new ATOM 0 HG3 LYS A 148 10.421 7.183 -11.708 1.00 0.00 H new ATOM 0 HD2 LYS A 148 9.574 9.181 -13.792 1.00 0.00 H new ATOM 0 HD3 LYS A 148 11.222 8.596 -13.905 1.00 0.00 H new ATOM 0 HE2 LYS A 148 9.739 6.255 -13.381 1.00 0.00 H new ATOM 0 HE3 LYS A 148 8.692 7.164 -14.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 10.245 5.790 -15.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 10.553 7.433 -16.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 11.568 6.552 -14.961 1.00 0.00 H new ATOM 232 N LEU A 149 7.064 10.316 -9.983 1.00 0.00 N ATOM 233 CA LEU A 149 5.771 10.713 -9.352 1.00 0.00 C ATOM 234 C LEU A 149 4.719 9.623 -9.590 1.00 0.00 C ATOM 235 O LEU A 149 4.545 9.142 -10.694 1.00 0.00 O ATOM 236 CB LEU A 149 5.293 12.044 -9.960 1.00 0.00 C ATOM 237 CG LEU A 149 5.228 13.133 -8.876 1.00 0.00 C ATOM 238 CD1 LEU A 149 4.248 12.718 -7.776 1.00 0.00 C ATOM 239 CD2 LEU A 149 6.619 13.344 -8.267 1.00 0.00 C ATOM 0 H LEU A 149 7.154 10.552 -10.971 1.00 0.00 H new ATOM 0 HA LEU A 149 5.915 10.837 -8.279 1.00 0.00 H new ATOM 0 HB2 LEU A 149 5.972 12.353 -10.755 1.00 0.00 H new ATOM 0 HB3 LEU A 149 4.310 11.913 -10.413 1.00 0.00 H new ATOM 0 HG LEU A 149 4.886 14.063 -9.330 1.00 0.00 H new ATOM 0 HD11 LEU A 149 4.208 13.495 -7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 149 3.256 12.580 -8.206 1.00 0.00 H new ATOM 0 HD13 LEU A 149 4.581 11.783 -7.325 1.00 0.00 H new ATOM 0 HD21 LEU A 149 6.567 14.117 -7.500 1.00 0.00 H new ATOM 0 HD22 LEU A 149 6.966 12.412 -7.821 1.00 0.00 H new ATOM 0 HD23 LEU A 149 7.315 13.654 -9.047 1.00 0.00 H new ATOM 251 N ALA A 150 4.016 9.240 -8.556 1.00 0.00 N ATOM 252 CA ALA A 150 2.962 8.193 -8.694 1.00 0.00 C ATOM 253 C ALA A 150 1.613 8.803 -8.299 1.00 0.00 C ATOM 254 O ALA A 150 1.492 10.006 -8.190 1.00 0.00 O ATOM 255 CB ALA A 150 3.298 7.016 -7.772 1.00 0.00 C ATOM 0 H ALA A 150 4.129 9.612 -7.613 1.00 0.00 H new ATOM 0 HA ALA A 150 2.913 7.835 -9.722 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.531 6.248 -7.869 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.266 6.600 -8.051 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.336 7.362 -6.739 1.00 0.00 H new ATOM 261 N PHE A 151 0.601 7.991 -8.091 1.00 0.00 N ATOM 262 CA PHE A 151 -0.741 8.535 -7.705 1.00 0.00 C ATOM 263 C PHE A 151 -1.568 7.433 -7.021 1.00 0.00 C ATOM 264 O PHE A 151 -1.740 6.356 -7.561 1.00 0.00 O ATOM 265 CB PHE A 151 -1.489 8.985 -8.961 1.00 0.00 C ATOM 266 CG PHE A 151 -0.946 10.293 -9.495 1.00 0.00 C ATOM 267 CD1 PHE A 151 -1.471 11.510 -9.038 1.00 0.00 C ATOM 268 CD2 PHE A 151 0.066 10.289 -10.464 1.00 0.00 C ATOM 269 CE1 PHE A 151 -0.978 12.719 -9.543 1.00 0.00 C ATOM 270 CE2 PHE A 151 0.557 11.499 -10.970 1.00 0.00 C ATOM 271 CZ PHE A 151 0.036 12.714 -10.509 1.00 0.00 C ATOM 0 H PHE A 151 0.647 6.975 -8.172 1.00 0.00 H new ATOM 0 HA PHE A 151 -0.601 9.376 -7.026 1.00 0.00 H new ATOM 0 HB2 PHE A 151 -1.407 8.216 -9.729 1.00 0.00 H new ATOM 0 HB3 PHE A 151 -2.549 9.096 -8.733 1.00 0.00 H new ATOM 0 HD1 PHE A 151 -2.256 11.515 -8.296 1.00 0.00 H new ATOM 0 HD2 PHE A 151 0.468 9.352 -10.821 1.00 0.00 H new ATOM 0 HE1 PHE A 151 -1.380 13.656 -9.187 1.00 0.00 H new ATOM 0 HE2 PHE A 151 1.338 11.495 -11.716 1.00 0.00 H new ATOM 0 HZ PHE A 151 0.416 13.647 -10.898 1.00 0.00 H new ATOM 281 N CYS A 152 -2.081 7.690 -5.838 1.00 0.00 N ATOM 282 CA CYS A 152 -2.896 6.648 -5.123 1.00 0.00 C ATOM 283 C CYS A 152 -4.266 6.457 -5.783 1.00 0.00 C ATOM 284 O CYS A 152 -5.110 7.334 -5.741 1.00 0.00 O ATOM 285 CB CYS A 152 -3.144 7.079 -3.693 1.00 0.00 C ATOM 286 SG CYS A 152 -3.686 5.637 -2.754 1.00 0.00 S ATOM 0 H CYS A 152 -1.972 8.572 -5.337 1.00 0.00 H new ATOM 0 HA CYS A 152 -2.332 5.716 -5.165 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -2.235 7.495 -3.259 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.902 7.862 -3.658 1.00 0.00 H new ATOM 0 HG CYS A 152 -3.135 5.653 -1.577 1.00 0.00 H new ATOM 291 N ASP A 153 -4.506 5.304 -6.353 1.00 0.00 N ATOM 292 CA ASP A 153 -5.836 5.037 -6.990 1.00 0.00 C ATOM 293 C ASP A 153 -6.949 4.972 -5.923 1.00 0.00 C ATOM 294 O ASP A 153 -8.120 4.979 -6.248 1.00 0.00 O ATOM 295 CB ASP A 153 -5.777 3.705 -7.739 1.00 0.00 C ATOM 296 CG ASP A 153 -6.853 3.685 -8.826 1.00 0.00 C ATOM 297 OD1 ASP A 153 -6.803 4.537 -9.698 1.00 0.00 O ATOM 298 OD2 ASP A 153 -7.710 2.817 -8.767 1.00 0.00 O ATOM 0 H ASP A 153 -3.839 4.534 -6.406 1.00 0.00 H new ATOM 0 HA ASP A 153 -6.062 5.848 -7.682 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -4.792 3.569 -8.185 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -5.930 2.878 -7.045 1.00 0.00 H new ATOM 303 N ILE A 154 -6.597 4.905 -4.660 1.00 0.00 N ATOM 304 CA ILE A 154 -7.630 4.835 -3.574 1.00 0.00 C ATOM 305 C ILE A 154 -7.997 6.245 -3.125 1.00 0.00 C ATOM 306 O ILE A 154 -9.087 6.485 -2.638 1.00 0.00 O ATOM 307 CB ILE A 154 -7.020 4.090 -2.376 1.00 0.00 C ATOM 308 CG1 ILE A 154 -6.694 2.636 -2.811 1.00 0.00 C ATOM 309 CG2 ILE A 154 -7.952 4.140 -1.132 1.00 0.00 C ATOM 310 CD1 ILE A 154 -7.853 1.671 -2.504 1.00 0.00 C ATOM 0 H ILE A 154 -5.631 4.896 -4.332 1.00 0.00 H new ATOM 0 HA ILE A 154 -8.519 4.323 -3.942 1.00 0.00 H new ATOM 0 HB ILE A 154 -6.097 4.583 -2.071 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -6.479 2.616 -3.879 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.794 2.297 -2.298 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -7.486 3.602 -0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -8.117 5.178 -0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -8.908 3.675 -1.374 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -7.583 0.665 -2.824 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -8.051 1.670 -1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -8.747 1.994 -3.038 1.00 0.00 H new ATOM 322 N CYS A 155 -7.074 7.158 -3.230 1.00 0.00 N ATOM 323 CA CYS A 155 -7.338 8.527 -2.744 1.00 0.00 C ATOM 324 C CYS A 155 -7.711 9.470 -3.894 1.00 0.00 C ATOM 325 O CYS A 155 -8.876 9.624 -4.196 1.00 0.00 O ATOM 326 CB CYS A 155 -6.098 8.989 -2.008 1.00 0.00 C ATOM 327 SG CYS A 155 -5.885 7.936 -0.544 1.00 0.00 S ATOM 0 H CYS A 155 -6.149 7.009 -3.633 1.00 0.00 H new ATOM 0 HA CYS A 155 -8.195 8.535 -2.070 1.00 0.00 H new ATOM 0 HB2 CYS A 155 -5.224 8.922 -2.656 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -6.197 10.034 -1.714 1.00 0.00 H new ATOM 0 HG CYS A 155 -4.632 7.612 -0.421 1.00 0.00 H new ATOM 332 N GLN A 156 -6.748 10.095 -4.538 1.00 0.00 N ATOM 333 CA GLN A 156 -7.058 11.039 -5.676 1.00 0.00 C ATOM 334 C GLN A 156 -5.831 11.888 -6.059 1.00 0.00 C ATOM 335 O GLN A 156 -5.852 12.556 -7.078 1.00 0.00 O ATOM 336 CB GLN A 156 -8.208 12.004 -5.305 1.00 0.00 C ATOM 337 CG GLN A 156 -9.511 11.544 -5.971 1.00 0.00 C ATOM 338 CD GLN A 156 -9.741 12.343 -7.255 1.00 0.00 C ATOM 339 OE1 GLN A 156 -10.001 13.529 -7.209 1.00 0.00 O ATOM 340 NE2 GLN A 156 -9.651 11.741 -8.410 1.00 0.00 N ATOM 0 H GLN A 156 -5.755 9.994 -4.326 1.00 0.00 H new ATOM 0 HA GLN A 156 -7.351 10.415 -6.520 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -8.334 12.035 -4.223 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -7.963 13.016 -5.626 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -9.459 10.479 -6.198 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -10.349 11.684 -5.288 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -9.433 10.745 -8.451 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -9.799 12.266 -9.272 1.00 0.00 H new ATOM 349 N LYS A 157 -4.778 11.900 -5.269 1.00 0.00 N ATOM 350 CA LYS A 157 -3.602 12.738 -5.623 1.00 0.00 C ATOM 351 C LYS A 157 -2.377 11.848 -5.815 1.00 0.00 C ATOM 352 O LYS A 157 -2.474 10.642 -5.876 1.00 0.00 O ATOM 353 CB LYS A 157 -3.338 13.742 -4.491 1.00 0.00 C ATOM 354 CG LYS A 157 -3.814 15.145 -4.906 1.00 0.00 C ATOM 355 CD LYS A 157 -4.893 15.638 -3.935 1.00 0.00 C ATOM 356 CE LYS A 157 -5.818 16.634 -4.644 1.00 0.00 C ATOM 357 NZ LYS A 157 -5.676 17.977 -4.014 1.00 0.00 N ATOM 0 H LYS A 157 -4.690 11.368 -4.403 1.00 0.00 H new ATOM 0 HA LYS A 157 -3.802 13.276 -6.550 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -3.857 13.426 -3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -2.274 13.765 -4.256 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -2.972 15.838 -4.910 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -4.210 15.119 -5.921 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -5.472 14.793 -3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -4.428 16.112 -3.071 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -5.568 16.689 -5.703 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -6.852 16.297 -4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -6.303 18.654 -4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -5.935 17.918 -3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -4.690 18.298 -4.099 1.00 0.00 H new ATOM 371 N PHE A 158 -1.234 12.454 -5.934 1.00 0.00 N ATOM 372 CA PHE A 158 0.028 11.695 -6.147 1.00 0.00 C ATOM 373 C PHE A 158 0.244 10.638 -5.044 1.00 0.00 C ATOM 374 O PHE A 158 -0.440 10.606 -4.041 1.00 0.00 O ATOM 375 CB PHE A 158 1.186 12.704 -6.102 1.00 0.00 C ATOM 376 CG PHE A 158 1.305 13.233 -4.692 1.00 0.00 C ATOM 377 CD1 PHE A 158 0.535 14.321 -4.278 1.00 0.00 C ATOM 378 CD2 PHE A 158 2.144 12.579 -3.785 1.00 0.00 C ATOM 379 CE1 PHE A 158 0.608 14.760 -2.955 1.00 0.00 C ATOM 380 CE2 PHE A 158 2.224 13.019 -2.465 1.00 0.00 C ATOM 381 CZ PHE A 158 1.454 14.111 -2.044 1.00 0.00 C ATOM 0 H PHE A 158 -1.117 13.466 -5.892 1.00 0.00 H new ATOM 0 HA PHE A 158 -0.021 11.176 -7.104 1.00 0.00 H new ATOM 0 HB2 PHE A 158 2.117 12.226 -6.407 1.00 0.00 H new ATOM 0 HB3 PHE A 158 1.004 13.522 -6.799 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.116 14.822 -4.980 1.00 0.00 H new ATOM 0 HD2 PHE A 158 2.731 11.732 -4.108 1.00 0.00 H new ATOM 0 HE1 PHE A 158 0.012 15.601 -2.632 1.00 0.00 H new ATOM 0 HE2 PHE A 158 2.879 12.519 -1.767 1.00 0.00 H new ATOM 0 HZ PHE A 158 1.512 14.452 -1.021 1.00 0.00 H new ATOM 391 N LEU A 159 1.242 9.822 -5.228 1.00 0.00 N ATOM 392 CA LEU A 159 1.605 8.795 -4.208 1.00 0.00 C ATOM 393 C LEU A 159 3.033 9.100 -3.750 1.00 0.00 C ATOM 394 O LEU A 159 3.907 9.358 -4.557 1.00 0.00 O ATOM 395 CB LEU A 159 1.560 7.398 -4.851 1.00 0.00 C ATOM 396 CG LEU A 159 1.352 6.302 -3.793 1.00 0.00 C ATOM 397 CD1 LEU A 159 2.461 6.346 -2.741 1.00 0.00 C ATOM 398 CD2 LEU A 159 -0.002 6.486 -3.116 1.00 0.00 C ATOM 0 H LEU A 159 1.834 9.822 -6.058 1.00 0.00 H new ATOM 0 HA LEU A 159 0.912 8.816 -3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.753 7.358 -5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 159 2.489 7.214 -5.391 1.00 0.00 H new ATOM 0 HG LEU A 159 1.383 5.333 -4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 159 2.293 5.562 -2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 159 3.426 6.190 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 159 2.455 7.317 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -0.143 5.706 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -0.038 7.463 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -0.794 6.420 -3.862 1.00 0.00 H new ATOM 410 N LEU A 160 3.272 9.091 -2.467 1.00 0.00 N ATOM 411 CA LEU A 160 4.633 9.401 -1.948 1.00 0.00 C ATOM 412 C LEU A 160 5.170 8.189 -1.184 1.00 0.00 C ATOM 413 O LEU A 160 4.566 7.135 -1.180 1.00 0.00 O ATOM 414 CB LEU A 160 4.566 10.619 -1.005 1.00 0.00 C ATOM 415 CG LEU A 160 3.264 10.628 -0.186 1.00 0.00 C ATOM 416 CD1 LEU A 160 3.196 9.381 0.699 1.00 0.00 C ATOM 417 CD2 LEU A 160 3.227 11.880 0.697 1.00 0.00 C ATOM 0 H LEU A 160 2.577 8.880 -1.751 1.00 0.00 H new ATOM 0 HA LEU A 160 5.296 9.631 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 160 5.422 10.605 -0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 160 4.636 11.537 -1.589 1.00 0.00 H new ATOM 0 HG LEU A 160 2.413 10.632 -0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 160 2.271 9.394 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 160 3.220 8.489 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 160 4.048 9.371 1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 160 2.305 11.888 1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 160 4.082 11.874 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 160 3.268 12.770 0.069 1.00 0.00 H new ATOM 429 N ASN A 161 6.304 8.328 -0.536 1.00 0.00 N ATOM 430 CA ASN A 161 6.892 7.182 0.237 1.00 0.00 C ATOM 431 C ASN A 161 5.829 6.598 1.183 1.00 0.00 C ATOM 432 O ASN A 161 5.573 7.144 2.242 1.00 0.00 O ATOM 433 CB ASN A 161 8.080 7.695 1.062 1.00 0.00 C ATOM 434 CG ASN A 161 8.724 6.539 1.837 1.00 0.00 C ATOM 435 OD1 ASN A 161 8.478 5.384 1.551 1.00 0.00 O ATOM 436 ND2 ASN A 161 9.546 6.807 2.815 1.00 0.00 N ATOM 0 H ASN A 161 6.851 9.189 -0.508 1.00 0.00 H new ATOM 0 HA ASN A 161 7.225 6.406 -0.453 1.00 0.00 H new ATOM 0 HB2 ASN A 161 8.817 8.157 0.404 1.00 0.00 H new ATOM 0 HB3 ASN A 161 7.745 8.466 1.756 1.00 0.00 H new ATOM 0 HD21 ASN A 161 9.981 6.047 3.338 1.00 0.00 H new ATOM 0 HD22 ASN A 161 9.753 7.776 3.056 1.00 0.00 H new ATOM 443 N GLY A 162 5.202 5.509 0.807 1.00 0.00 N ATOM 444 CA GLY A 162 4.151 4.914 1.685 1.00 0.00 C ATOM 445 C GLY A 162 4.294 3.394 1.718 1.00 0.00 C ATOM 446 O GLY A 162 5.182 2.858 2.356 1.00 0.00 O ATOM 0 H GLY A 162 5.373 5.010 -0.066 1.00 0.00 H new ATOM 0 HA2 GLY A 162 4.238 5.317 2.694 1.00 0.00 H new ATOM 0 HA3 GLY A 162 3.162 5.186 1.317 1.00 0.00 H new ATOM 450 N PHE A 163 3.418 2.698 1.040 1.00 0.00 N ATOM 451 CA PHE A 163 3.484 1.208 1.032 1.00 0.00 C ATOM 452 C PHE A 163 2.976 0.678 -0.310 1.00 0.00 C ATOM 453 O PHE A 163 1.797 0.771 -0.614 1.00 0.00 O ATOM 454 CB PHE A 163 2.593 0.655 2.150 1.00 0.00 C ATOM 455 CG PHE A 163 3.407 0.427 3.399 1.00 0.00 C ATOM 456 CD1 PHE A 163 4.347 -0.609 3.447 1.00 0.00 C ATOM 457 CD2 PHE A 163 3.211 1.247 4.516 1.00 0.00 C ATOM 458 CE1 PHE A 163 5.092 -0.822 4.613 1.00 0.00 C ATOM 459 CE2 PHE A 163 3.957 1.034 5.680 1.00 0.00 C ATOM 460 CZ PHE A 163 4.896 0.001 5.730 1.00 0.00 C ATOM 0 H PHE A 163 2.658 3.100 0.491 1.00 0.00 H new ATOM 0 HA PHE A 163 4.516 0.893 1.186 1.00 0.00 H new ATOM 0 HB2 PHE A 163 1.782 1.353 2.358 1.00 0.00 H new ATOM 0 HB3 PHE A 163 2.134 -0.281 1.830 1.00 0.00 H new ATOM 0 HD1 PHE A 163 4.497 -1.243 2.586 1.00 0.00 H new ATOM 0 HD2 PHE A 163 2.484 2.044 4.479 1.00 0.00 H new ATOM 0 HE1 PHE A 163 5.818 -1.621 4.652 1.00 0.00 H new ATOM 0 HE2 PHE A 163 3.807 1.669 6.541 1.00 0.00 H new ATOM 0 HZ PHE A 163 5.471 -0.163 6.629 1.00 0.00 H new ATOM 470 N ARG A 164 3.847 0.118 -1.110 1.00 0.00 N ATOM 471 CA ARG A 164 3.402 -0.434 -2.424 1.00 0.00 C ATOM 472 C ARG A 164 3.682 -1.932 -2.477 1.00 0.00 C ATOM 473 O ARG A 164 4.772 -2.387 -2.181 1.00 0.00 O ATOM 474 CB ARG A 164 4.132 0.234 -3.605 1.00 0.00 C ATOM 475 CG ARG A 164 5.533 0.718 -3.198 1.00 0.00 C ATOM 476 CD ARG A 164 6.416 0.834 -4.444 1.00 0.00 C ATOM 477 NE ARG A 164 6.448 -0.475 -5.158 1.00 0.00 N ATOM 478 CZ ARG A 164 6.315 -0.514 -6.457 1.00 0.00 C ATOM 479 NH1 ARG A 164 7.020 0.287 -7.209 1.00 0.00 N ATOM 480 NH2 ARG A 164 5.481 -1.355 -7.002 1.00 0.00 N ATOM 0 H ARG A 164 4.843 0.020 -0.911 1.00 0.00 H new ATOM 0 HA ARG A 164 2.334 -0.234 -2.512 1.00 0.00 H new ATOM 0 HB2 ARG A 164 4.215 -0.473 -4.430 1.00 0.00 H new ATOM 0 HB3 ARG A 164 3.545 1.078 -3.967 1.00 0.00 H new ATOM 0 HG2 ARG A 164 5.464 1.684 -2.697 1.00 0.00 H new ATOM 0 HG3 ARG A 164 5.978 0.021 -2.488 1.00 0.00 H new ATOM 0 HD2 ARG A 164 6.030 1.611 -5.104 1.00 0.00 H new ATOM 0 HD3 ARG A 164 7.426 1.130 -4.160 1.00 0.00 H new ATOM 0 HE ARG A 164 6.574 -1.340 -4.632 1.00 0.00 H new ATOM 0 HH11 ARG A 164 7.674 0.943 -6.782 1.00 0.00 H new ATOM 0 HH12 ARG A 164 6.917 0.257 -8.223 1.00 0.00 H new ATOM 0 HH21 ARG A 164 4.932 -1.983 -6.414 1.00 0.00 H new ATOM 0 HH22 ARG A 164 5.377 -1.385 -8.016 1.00 0.00 H new ATOM 494 N CYS A 165 2.706 -2.694 -2.885 1.00 0.00 N ATOM 495 CA CYS A 165 2.887 -4.164 -3.005 1.00 0.00 C ATOM 496 C CYS A 165 3.788 -4.427 -4.214 1.00 0.00 C ATOM 497 O CYS A 165 3.468 -4.042 -5.330 1.00 0.00 O ATOM 498 CB CYS A 165 1.506 -4.807 -3.196 1.00 0.00 C ATOM 499 SG CYS A 165 1.634 -6.540 -3.724 1.00 0.00 S ATOM 0 H CYS A 165 1.780 -2.354 -3.143 1.00 0.00 H new ATOM 0 HA CYS A 165 3.349 -4.590 -2.114 1.00 0.00 H new ATOM 0 HB2 CYS A 165 0.948 -4.752 -2.262 1.00 0.00 H new ATOM 0 HB3 CYS A 165 0.942 -4.242 -3.938 1.00 0.00 H new ATOM 0 HG CYS A 165 0.511 -7.150 -3.487 1.00 0.00 H new ATOM 504 N GLN A 166 4.905 -5.074 -3.991 1.00 0.00 N ATOM 505 CA GLN A 166 5.852 -5.370 -5.102 1.00 0.00 C ATOM 506 C GLN A 166 5.523 -6.726 -5.746 1.00 0.00 C ATOM 507 O GLN A 166 6.401 -7.530 -6.008 1.00 0.00 O ATOM 508 CB GLN A 166 7.275 -5.396 -4.545 1.00 0.00 C ATOM 509 CG GLN A 166 7.360 -6.400 -3.393 1.00 0.00 C ATOM 510 CD GLN A 166 8.807 -6.865 -3.228 1.00 0.00 C ATOM 511 OE1 GLN A 166 9.551 -6.308 -2.445 1.00 0.00 O ATOM 512 NE2 GLN A 166 9.242 -7.869 -3.939 1.00 0.00 N ATOM 0 H GLN A 166 5.201 -5.412 -3.075 1.00 0.00 H new ATOM 0 HA GLN A 166 5.762 -4.597 -5.865 1.00 0.00 H new ATOM 0 HB2 GLN A 166 7.979 -5.670 -5.331 1.00 0.00 H new ATOM 0 HB3 GLN A 166 7.557 -4.403 -4.196 1.00 0.00 H new ATOM 0 HG2 GLN A 166 7.007 -5.941 -2.470 1.00 0.00 H new ATOM 0 HG3 GLN A 166 6.713 -7.254 -3.592 1.00 0.00 H new ATOM 0 HE21 GLN A 166 8.618 -8.337 -4.596 1.00 0.00 H new ATOM 0 HE22 GLN A 166 10.206 -8.186 -3.837 1.00 0.00 H new ATOM 521 N THR A 167 4.271 -6.974 -6.021 1.00 0.00 N ATOM 522 CA THR A 167 3.868 -8.259 -6.671 1.00 0.00 C ATOM 523 C THR A 167 2.713 -7.981 -7.629 1.00 0.00 C ATOM 524 O THR A 167 2.700 -8.443 -8.755 1.00 0.00 O ATOM 525 CB THR A 167 3.433 -9.271 -5.621 1.00 0.00 C ATOM 526 OG1 THR A 167 4.375 -9.283 -4.559 1.00 0.00 O ATOM 527 CG2 THR A 167 3.350 -10.664 -6.252 1.00 0.00 C ATOM 0 H THR A 167 3.501 -6.336 -5.822 1.00 0.00 H new ATOM 0 HA THR A 167 4.717 -8.672 -7.216 1.00 0.00 H new ATOM 0 HB THR A 167 2.453 -8.994 -5.233 1.00 0.00 H new ATOM 0 HG1 THR A 167 4.148 -9.999 -3.929 1.00 0.00 H new ATOM 0 HG21 THR A 167 3.038 -11.387 -5.498 1.00 0.00 H new ATOM 0 HG22 THR A 167 2.625 -10.652 -7.065 1.00 0.00 H new ATOM 0 HG23 THR A 167 4.328 -10.946 -6.642 1.00 0.00 H new ATOM 535 N CYS A 168 1.757 -7.204 -7.194 1.00 0.00 N ATOM 536 CA CYS A 168 0.611 -6.852 -8.064 1.00 0.00 C ATOM 537 C CYS A 168 0.824 -5.429 -8.599 1.00 0.00 C ATOM 538 O CYS A 168 0.299 -5.071 -9.637 1.00 0.00 O ATOM 539 CB CYS A 168 -0.709 -6.958 -7.272 1.00 0.00 C ATOM 540 SG CYS A 168 -0.768 -5.754 -5.909 1.00 0.00 S ATOM 0 H CYS A 168 1.726 -6.796 -6.260 1.00 0.00 H new ATOM 0 HA CYS A 168 0.547 -7.545 -8.903 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -1.551 -6.791 -7.943 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -0.815 -7.967 -6.873 1.00 0.00 H new ATOM 0 HG CYS A 168 0.197 -5.997 -5.073 1.00 0.00 H new ATOM 545 N GLY A 169 1.603 -4.617 -7.907 1.00 0.00 N ATOM 546 CA GLY A 169 1.850 -3.235 -8.393 1.00 0.00 C ATOM 547 C GLY A 169 0.884 -2.290 -7.701 1.00 0.00 C ATOM 548 O GLY A 169 0.273 -1.443 -8.329 1.00 0.00 O ATOM 0 H GLY A 169 2.070 -4.861 -7.034 1.00 0.00 H new ATOM 0 HA2 GLY A 169 2.879 -2.941 -8.185 1.00 0.00 H new ATOM 0 HA3 GLY A 169 1.716 -3.186 -9.474 1.00 0.00 H new ATOM 552 N TYR A 170 0.744 -2.421 -6.407 1.00 0.00 N ATOM 553 CA TYR A 170 -0.183 -1.517 -5.673 1.00 0.00 C ATOM 554 C TYR A 170 0.635 -0.375 -5.087 1.00 0.00 C ATOM 555 O TYR A 170 1.745 -0.568 -4.637 1.00 0.00 O ATOM 556 CB TYR A 170 -0.905 -2.288 -4.556 1.00 0.00 C ATOM 557 CG TYR A 170 -2.402 -2.173 -4.738 1.00 0.00 C ATOM 558 CD1 TYR A 170 -3.001 -0.913 -4.864 1.00 0.00 C ATOM 559 CD2 TYR A 170 -3.188 -3.329 -4.785 1.00 0.00 C ATOM 560 CE1 TYR A 170 -4.386 -0.810 -5.037 1.00 0.00 C ATOM 561 CE2 TYR A 170 -4.573 -3.225 -4.959 1.00 0.00 C ATOM 562 CZ TYR A 170 -5.172 -1.967 -5.085 1.00 0.00 C ATOM 563 OH TYR A 170 -6.538 -1.866 -5.257 1.00 0.00 O ATOM 0 H TYR A 170 1.229 -3.111 -5.833 1.00 0.00 H new ATOM 0 HA TYR A 170 -0.940 -1.124 -6.351 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -0.607 -3.336 -4.574 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -0.616 -1.891 -3.583 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -2.394 -0.021 -4.828 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -2.727 -4.301 -4.687 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.848 0.161 -5.133 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -5.180 -4.117 -4.996 1.00 0.00 H new ATOM 0 HH TYR A 170 -6.933 -2.763 -5.269 1.00 0.00 H new ATOM 573 N LYS A 171 0.102 0.814 -5.110 1.00 0.00 N ATOM 574 CA LYS A 171 0.849 1.985 -4.573 1.00 0.00 C ATOM 575 C LYS A 171 -0.118 2.864 -3.790 1.00 0.00 C ATOM 576 O LYS A 171 -0.875 3.616 -4.375 1.00 0.00 O ATOM 577 CB LYS A 171 1.450 2.792 -5.736 1.00 0.00 C ATOM 578 CG LYS A 171 0.425 2.950 -6.869 1.00 0.00 C ATOM 579 CD LYS A 171 0.649 4.284 -7.586 1.00 0.00 C ATOM 580 CE LYS A 171 1.725 4.112 -8.659 1.00 0.00 C ATOM 581 NZ LYS A 171 1.115 3.530 -9.888 1.00 0.00 N ATOM 0 H LYS A 171 -0.825 1.026 -5.480 1.00 0.00 H new ATOM 0 HA LYS A 171 1.654 1.644 -3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 171 1.763 3.774 -5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 171 2.342 2.290 -6.112 1.00 0.00 H new ATOM 0 HG2 LYS A 171 0.520 2.126 -7.576 1.00 0.00 H new ATOM 0 HG3 LYS A 171 -0.587 2.909 -6.465 1.00 0.00 H new ATOM 0 HD2 LYS A 171 -0.281 4.626 -8.040 1.00 0.00 H new ATOM 0 HD3 LYS A 171 0.953 5.047 -6.870 1.00 0.00 H new ATOM 0 HE2 LYS A 171 2.182 5.075 -8.888 1.00 0.00 H new ATOM 0 HE3 LYS A 171 2.519 3.462 -8.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 1.854 3.074 -10.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 0.400 2.824 -9.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 0.665 4.285 -10.443 1.00 0.00 H new ATOM 595 N PHE A 172 -0.122 2.774 -2.477 1.00 0.00 N ATOM 596 CA PHE A 172 -1.083 3.619 -1.716 1.00 0.00 C ATOM 597 C PHE A 172 -0.588 3.954 -0.305 1.00 0.00 C ATOM 598 O PHE A 172 0.458 3.516 0.131 1.00 0.00 O ATOM 599 CB PHE A 172 -2.439 2.927 -1.657 1.00 0.00 C ATOM 600 CG PHE A 172 -2.313 1.462 -1.269 1.00 0.00 C ATOM 601 CD1 PHE A 172 -1.717 1.084 -0.055 1.00 0.00 C ATOM 602 CD2 PHE A 172 -2.835 0.483 -2.121 1.00 0.00 C ATOM 603 CE1 PHE A 172 -1.643 -0.267 0.298 1.00 0.00 C ATOM 604 CE2 PHE A 172 -2.758 -0.869 -1.768 1.00 0.00 C ATOM 605 CZ PHE A 172 -2.163 -1.243 -0.558 1.00 0.00 C ATOM 0 H PHE A 172 0.482 2.169 -1.920 1.00 0.00 H new ATOM 0 HA PHE A 172 -1.176 4.567 -2.245 1.00 0.00 H new ATOM 0 HB2 PHE A 172 -3.077 3.439 -0.937 1.00 0.00 H new ATOM 0 HB3 PHE A 172 -2.928 3.004 -2.628 1.00 0.00 H new ATOM 0 HD1 PHE A 172 -1.315 1.837 0.607 1.00 0.00 H new ATOM 0 HD2 PHE A 172 -3.298 0.771 -3.053 1.00 0.00 H new ATOM 0 HE1 PHE A 172 -1.184 -0.557 1.232 1.00 0.00 H new ATOM 0 HE2 PHE A 172 -3.158 -1.624 -2.429 1.00 0.00 H new ATOM 0 HZ PHE A 172 -2.105 -2.286 -0.285 1.00 0.00 H new ATOM 615 N HIS A 173 -1.339 4.776 0.386 1.00 0.00 N ATOM 616 CA HIS A 173 -0.946 5.224 1.767 1.00 0.00 C ATOM 617 C HIS A 173 -1.604 4.349 2.864 1.00 0.00 C ATOM 618 O HIS A 173 -2.004 3.228 2.623 1.00 0.00 O ATOM 619 CB HIS A 173 -1.364 6.691 1.980 1.00 0.00 C ATOM 620 CG HIS A 173 -1.553 7.417 0.699 1.00 0.00 C ATOM 621 ND1 HIS A 173 -2.784 7.455 0.030 1.00 0.00 N ATOM 622 CD2 HIS A 173 -0.702 8.206 0.003 1.00 0.00 C ATOM 623 CE1 HIS A 173 -2.596 8.281 -1.008 1.00 0.00 C ATOM 624 NE2 HIS A 173 -1.348 8.753 -1.063 1.00 0.00 N ATOM 0 H HIS A 173 -2.221 5.163 0.050 1.00 0.00 H new ATOM 0 HA HIS A 173 0.136 5.122 1.848 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -2.291 6.722 2.553 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -0.605 7.200 2.574 1.00 0.00 H new ATOM 0 HD2 HIS A 173 0.334 8.376 0.255 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -3.367 8.536 -1.720 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -0.960 9.390 -1.758 1.00 0.00 H new ATOM 632 N GLU A 174 -1.699 4.869 4.082 1.00 0.00 N ATOM 633 CA GLU A 174 -2.306 4.099 5.221 1.00 0.00 C ATOM 634 C GLU A 174 -3.829 3.981 5.053 1.00 0.00 C ATOM 635 O GLU A 174 -4.443 3.062 5.559 1.00 0.00 O ATOM 636 CB GLU A 174 -1.989 4.823 6.540 1.00 0.00 C ATOM 637 CG GLU A 174 -1.446 3.823 7.566 1.00 0.00 C ATOM 638 CD GLU A 174 0.083 3.860 7.562 1.00 0.00 C ATOM 639 OE1 GLU A 174 0.638 4.679 8.276 1.00 0.00 O ATOM 640 OE2 GLU A 174 0.673 3.069 6.846 1.00 0.00 O ATOM 0 H GLU A 174 -1.376 5.804 4.329 1.00 0.00 H new ATOM 0 HA GLU A 174 -1.884 3.094 5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -1.257 5.612 6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -2.888 5.302 6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -1.823 4.066 8.560 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -1.796 2.818 7.329 1.00 0.00 H new ATOM 647 N HIS A 175 -4.439 4.884 4.320 1.00 0.00 N ATOM 648 CA HIS A 175 -5.921 4.804 4.083 1.00 0.00 C ATOM 649 C HIS A 175 -6.242 3.624 3.176 1.00 0.00 C ATOM 650 O HIS A 175 -7.389 3.390 2.841 1.00 0.00 O ATOM 651 CB HIS A 175 -6.371 6.049 3.308 1.00 0.00 C ATOM 652 CG HIS A 175 -6.500 7.225 4.240 1.00 0.00 C ATOM 653 ND1 HIS A 175 -6.658 8.536 3.765 1.00 0.00 N ATOM 654 CD2 HIS A 175 -6.499 7.314 5.609 1.00 0.00 C ATOM 655 CE1 HIS A 175 -6.740 9.330 4.849 1.00 0.00 C ATOM 656 NE2 HIS A 175 -6.647 8.625 5.985 1.00 0.00 N ATOM 0 H HIS A 175 -3.975 5.675 3.874 1.00 0.00 H new ATOM 0 HA HIS A 175 -6.415 4.712 5.050 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -5.651 6.276 2.522 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -7.326 5.856 2.820 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -6.397 6.480 6.287 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -6.865 10.402 4.808 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -6.680 8.990 6.937 1.00 0.00 H new ATOM 664 N CYS A 176 -5.235 2.974 2.665 1.00 0.00 N ATOM 665 CA CYS A 176 -5.459 1.934 1.664 1.00 0.00 C ATOM 666 C CYS A 176 -4.738 0.645 2.060 1.00 0.00 C ATOM 667 O CYS A 176 -4.345 -0.141 1.219 1.00 0.00 O ATOM 668 CB CYS A 176 -4.886 2.515 0.369 1.00 0.00 C ATOM 669 SG CYS A 176 -5.188 4.344 0.305 1.00 0.00 S ATOM 0 H CYS A 176 -4.258 3.132 2.912 1.00 0.00 H new ATOM 0 HA CYS A 176 -6.512 1.672 1.561 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -3.816 2.313 0.312 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -5.348 2.032 -0.492 1.00 0.00 H new ATOM 0 HG CYS A 176 -4.588 4.847 -0.733 1.00 0.00 H new ATOM 674 N SER A 177 -4.583 0.418 3.339 1.00 0.00 N ATOM 675 CA SER A 177 -3.913 -0.827 3.806 1.00 0.00 C ATOM 676 C SER A 177 -4.964 -1.934 3.893 1.00 0.00 C ATOM 677 O SER A 177 -4.710 -3.080 3.573 1.00 0.00 O ATOM 678 CB SER A 177 -3.297 -0.594 5.186 1.00 0.00 C ATOM 679 OG SER A 177 -2.331 -1.604 5.446 1.00 0.00 O ATOM 0 H SER A 177 -4.894 1.045 4.081 1.00 0.00 H new ATOM 0 HA SER A 177 -3.123 -1.112 3.111 1.00 0.00 H new ATOM 0 HB2 SER A 177 -2.831 0.390 5.227 1.00 0.00 H new ATOM 0 HB3 SER A 177 -4.073 -0.611 5.951 1.00 0.00 H new ATOM 0 HG SER A 177 -2.175 -2.125 4.631 1.00 0.00 H new ATOM 685 N THR A 178 -6.152 -1.584 4.316 1.00 0.00 N ATOM 686 CA THR A 178 -7.249 -2.588 4.425 1.00 0.00 C ATOM 687 C THR A 178 -8.323 -2.279 3.379 1.00 0.00 C ATOM 688 O THR A 178 -9.010 -3.164 2.905 1.00 0.00 O ATOM 689 CB THR A 178 -7.868 -2.519 5.825 1.00 0.00 C ATOM 690 OG1 THR A 178 -8.999 -3.378 5.883 1.00 0.00 O ATOM 691 CG2 THR A 178 -8.298 -1.082 6.123 1.00 0.00 C ATOM 0 H THR A 178 -6.409 -0.637 4.593 1.00 0.00 H new ATOM 0 HA THR A 178 -6.847 -3.587 4.254 1.00 0.00 H new ATOM 0 HB THR A 178 -7.133 -2.836 6.565 1.00 0.00 H new ATOM 0 HG1 THR A 178 -9.396 -3.337 6.778 1.00 0.00 H new ATOM 0 HG21 THR A 178 -8.738 -1.033 7.119 1.00 0.00 H new ATOM 0 HG22 THR A 178 -7.429 -0.425 6.078 1.00 0.00 H new ATOM 0 HG23 THR A 178 -9.034 -0.762 5.385 1.00 0.00 H new ATOM 699 N LYS A 179 -8.473 -1.025 3.016 1.00 0.00 N ATOM 700 CA LYS A 179 -9.503 -0.647 2.001 1.00 0.00 C ATOM 701 C LYS A 179 -9.261 -1.415 0.697 1.00 0.00 C ATOM 702 O LYS A 179 -10.180 -1.655 -0.066 1.00 0.00 O ATOM 703 CB LYS A 179 -9.434 0.858 1.734 1.00 0.00 C ATOM 704 CG LYS A 179 -10.471 1.577 2.601 1.00 0.00 C ATOM 705 CD LYS A 179 -10.537 3.054 2.209 1.00 0.00 C ATOM 706 CE LYS A 179 -11.409 3.805 3.215 1.00 0.00 C ATOM 707 NZ LYS A 179 -11.552 5.224 2.786 1.00 0.00 N ATOM 0 H LYS A 179 -7.924 -0.247 3.382 1.00 0.00 H new ATOM 0 HA LYS A 179 -10.491 -0.901 2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -8.435 1.233 1.957 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -9.622 1.060 0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -11.449 1.113 2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -10.207 1.482 3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -9.535 3.482 2.188 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -10.948 3.158 1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -12.390 3.334 3.285 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -10.961 3.757 4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -12.145 5.735 3.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -10.613 5.669 2.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -11.998 5.260 1.847 1.00 0.00 H new ATOM 721 N VAL A 180 -8.038 -1.821 0.440 1.00 0.00 N ATOM 722 CA VAL A 180 -7.749 -2.593 -0.808 1.00 0.00 C ATOM 723 C VAL A 180 -8.561 -3.909 -0.749 1.00 0.00 C ATOM 724 O VAL A 180 -8.684 -4.488 0.312 1.00 0.00 O ATOM 725 CB VAL A 180 -6.233 -2.873 -0.894 1.00 0.00 C ATOM 726 CG1 VAL A 180 -5.747 -3.572 0.377 1.00 0.00 C ATOM 727 CG2 VAL A 180 -5.920 -3.760 -2.104 1.00 0.00 C ATOM 0 H VAL A 180 -7.231 -1.650 1.040 1.00 0.00 H new ATOM 0 HA VAL A 180 -8.036 -2.032 -1.697 1.00 0.00 H new ATOM 0 HB VAL A 180 -5.719 -1.918 -1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -4.676 -3.763 0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -5.942 -2.935 1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -6.276 -4.517 0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -4.847 -3.948 -2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -6.450 -4.707 -2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -6.240 -3.257 -3.016 1.00 0.00 H new