USER MOD reduce.3.24.130724 H: found=0, std=0, add=314, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 308 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 108 CYS SG : rot 129:sc= 2.51 USER MOD Set 1.2: A 111 CYS SG : rot -22:sc= 2.13 USER MOD Set 1.3: A 113 THR OG1 : rot 118:sc= 1.28 USER MOD Set 1.4: A 134 CYS SG : rot 180:sc= 0.827 USER MOD Set 1.5: A 137 CYS SG : rot 141:sc= 0.223 USER MOD Set 2.1: A 92 CYS SG : rot 134:sc= 1.85 USER MOD Set 2.2: A 95 CYS SG : rot 71:sc= 0.453 USER MOD Set 2.3: A 116 CYS SG : rot 180:sc= 0.915 USER MOD Set 2.4: A 119 CYS SG : rot 87:sc= -1.74 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.146 X(o=-0.15,f=0.023) USER MOD Single : A 97 LYS NZ :NH3+ -162:sc= -0.0797 (180deg=-0.404) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -165:sc= -0.0377 (180deg=-0.262) USER MOD Single : A 106 HIS :FLIP no HE2:sc= -2.24 F(o=-5.1!,f=-2.2) USER MOD Single : A 107 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= -1.82! USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -5.93! C(o=-5.9!,f=-8.2!) USER MOD Single : A 114 LYS NZ :NH3+ 148:sc= -1.32 (180deg=-2.87!) USER MOD Single : A 131 MET CE :methyl -151:sc= -1.7 (180deg=-3.2!) USER MOD Single : A 135 ASN : amide:sc= -3.96! C(o=-4!,f=-13!) USER MOD Single : A 139 LYS NZ :NH3+ 164:sc= -0.0838 (180deg=-0.397) USER MOD Single : A 140 GLN :FLIP amide:sc= 0.624 F(o=-0.0061,f=0.62) USER MOD Single : A 141 GLN :FLIP amide:sc= -1.41 F(o=-2.7!,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 101 N PRO A 90 -11.943 1.327 0.332 1.00 0.00 N ATOM 102 CA PRO A 90 -10.572 0.903 0.084 1.00 0.00 C ATOM 103 C PRO A 90 -10.353 -0.537 0.522 1.00 0.00 C ATOM 104 O PRO A 90 -10.797 -0.929 1.597 1.00 0.00 O ATOM 105 CB PRO A 90 -9.738 1.859 0.948 1.00 0.00 C ATOM 106 CG PRO A 90 -10.713 2.666 1.756 1.00 0.00 C ATOM 107 CD PRO A 90 -12.052 1.992 1.627 1.00 0.00 C ATOM 0 HA PRO A 90 -10.309 0.937 -0.973 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.062 1.304 1.598 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.121 2.507 0.325 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.403 2.713 2.800 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.761 3.692 1.391 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.229 1.282 2.435 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.872 2.710 1.648 1.00 0.00 H new ATOM 115 N THR A 91 -9.663 -1.322 -0.301 1.00 0.00 N ATOM 116 CA THR A 91 -9.420 -2.723 0.027 1.00 0.00 C ATOM 117 C THR A 91 -8.005 -3.170 -0.328 1.00 0.00 C ATOM 118 O THR A 91 -7.417 -2.707 -1.305 1.00 0.00 O ATOM 119 CB THR A 91 -10.428 -3.646 -0.681 1.00 0.00 C ATOM 120 OG1 THR A 91 -10.698 -3.160 -2.002 1.00 0.00 O ATOM 121 CG2 THR A 91 -11.722 -3.737 0.112 1.00 0.00 C ATOM 0 H THR A 91 -9.266 -1.016 -1.190 1.00 0.00 H new ATOM 0 HA THR A 91 -9.545 -2.802 1.107 1.00 0.00 H new ATOM 0 HB THR A 91 -9.992 -4.643 -0.749 1.00 0.00 H new ATOM 0 HG1 THR A 91 -11.339 -3.755 -2.445 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.421 -4.394 -0.406 1.00 0.00 H new ATOM 0 HG22 THR A 91 -11.513 -4.138 1.104 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.161 -2.744 0.207 1.00 0.00 H new ATOM 129 N CYS A 92 -7.471 -4.078 0.485 1.00 0.00 N ATOM 130 CA CYS A 92 -6.136 -4.625 0.276 1.00 0.00 C ATOM 131 C CYS A 92 -6.077 -5.421 -1.028 1.00 0.00 C ATOM 132 O CYS A 92 -6.960 -6.235 -1.304 1.00 0.00 O ATOM 133 CB CYS A 92 -5.769 -5.529 1.459 1.00 0.00 C ATOM 134 SG CYS A 92 -4.066 -6.140 1.448 1.00 0.00 S ATOM 0 H CYS A 92 -7.950 -4.453 1.304 1.00 0.00 H new ATOM 0 HA CYS A 92 -5.423 -3.803 0.207 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -5.936 -4.978 2.385 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.446 -6.383 1.469 1.00 0.00 H new ATOM 0 HG CYS A 92 -3.546 -5.997 2.631 1.00 0.00 H new ATOM 139 N GLY A 93 -5.035 -5.189 -1.828 1.00 0.00 N ATOM 140 CA GLY A 93 -4.895 -5.905 -3.086 1.00 0.00 C ATOM 141 C GLY A 93 -4.374 -7.324 -2.906 1.00 0.00 C ATOM 142 O GLY A 93 -4.142 -8.033 -3.884 1.00 0.00 O ATOM 0 H GLY A 93 -4.290 -4.522 -1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.862 -5.939 -3.588 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.217 -5.354 -3.738 1.00 0.00 H new ATOM 146 N ILE A 94 -4.193 -7.737 -1.653 1.00 0.00 N ATOM 147 CA ILE A 94 -3.693 -9.067 -1.344 1.00 0.00 C ATOM 148 C ILE A 94 -4.750 -9.898 -0.612 1.00 0.00 C ATOM 149 O ILE A 94 -5.111 -10.989 -1.053 1.00 0.00 O ATOM 150 CB ILE A 94 -2.416 -8.974 -0.478 1.00 0.00 C ATOM 151 CG1 ILE A 94 -1.295 -8.290 -1.256 1.00 0.00 C ATOM 152 CG2 ILE A 94 -1.968 -10.352 -0.020 1.00 0.00 C ATOM 153 CD1 ILE A 94 -1.395 -6.779 -1.278 1.00 0.00 C ATOM 0 H ILE A 94 -4.388 -7.162 -0.833 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.455 -9.560 -2.287 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.649 -8.378 0.405 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.338 -8.574 -0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.300 -8.659 -2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.068 -10.259 0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.759 -10.814 0.571 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.756 -10.973 -0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.563 -6.368 -1.850 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.336 -6.483 -1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.358 -6.397 -0.258 1.00 0.00 H new ATOM 165 N CYS A 95 -5.239 -9.372 0.505 1.00 0.00 N ATOM 166 CA CYS A 95 -6.248 -10.062 1.303 1.00 0.00 C ATOM 167 C CYS A 95 -7.647 -9.778 0.772 1.00 0.00 C ATOM 168 O CYS A 95 -8.575 -10.558 0.987 1.00 0.00 O ATOM 169 CB CYS A 95 -6.164 -9.618 2.766 1.00 0.00 C ATOM 170 SG CYS A 95 -4.474 -9.277 3.354 1.00 0.00 S ATOM 0 H CYS A 95 -4.953 -8.468 0.880 1.00 0.00 H new ATOM 0 HA CYS A 95 -6.053 -11.132 1.235 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.769 -8.720 2.896 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -6.605 -10.393 3.394 1.00 0.00 H new ATOM 0 HG CYS A 95 -4.035 -8.184 2.803 1.00 0.00 H new ATOM 175 N HIS A 96 -7.790 -8.654 0.078 1.00 0.00 N ATOM 176 CA HIS A 96 -9.078 -8.257 -0.479 1.00 0.00 C ATOM 177 C HIS A 96 -10.137 -8.159 0.616 1.00 0.00 C ATOM 178 O HIS A 96 -11.334 -8.231 0.341 1.00 0.00 O ATOM 179 CB HIS A 96 -9.522 -9.253 -1.551 1.00 0.00 C ATOM 180 CG HIS A 96 -8.595 -9.322 -2.724 1.00 0.00 C ATOM 181 ND1 HIS A 96 -8.773 -8.576 -3.870 1.00 0.00 N ATOM 182 CD2 HIS A 96 -7.476 -10.057 -2.927 1.00 0.00 C ATOM 183 CE1 HIS A 96 -7.806 -8.849 -4.727 1.00 0.00 C ATOM 184 NE2 HIS A 96 -7.005 -9.744 -4.179 1.00 0.00 N ATOM 0 H HIS A 96 -7.029 -8.002 -0.112 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.963 -7.274 -0.935 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.603 -10.244 -1.104 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.517 -8.979 -1.900 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -7.036 -10.759 -2.234 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -7.690 -8.414 -5.709 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -6.172 -10.139 -4.615 1.00 0.00 H new ATOM 193 N LYS A 97 -9.689 -7.986 1.857 1.00 0.00 N ATOM 194 CA LYS A 97 -10.597 -7.881 2.993 1.00 0.00 C ATOM 195 C LYS A 97 -10.265 -6.658 3.838 1.00 0.00 C ATOM 196 O LYS A 97 -11.146 -5.873 4.189 1.00 0.00 O ATOM 197 CB LYS A 97 -10.514 -9.144 3.848 1.00 0.00 C ATOM 198 CG LYS A 97 -11.476 -9.157 5.024 1.00 0.00 C ATOM 199 CD LYS A 97 -12.922 -9.058 4.564 1.00 0.00 C ATOM 200 CE LYS A 97 -13.888 -9.273 5.718 1.00 0.00 C ATOM 201 NZ LYS A 97 -13.774 -10.644 6.288 1.00 0.00 N ATOM 0 H LYS A 97 -8.701 -7.916 2.100 1.00 0.00 H new ATOM 0 HA LYS A 97 -11.613 -7.772 2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.714 -10.011 3.218 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.496 -9.251 4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.338 -10.073 5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -11.248 -8.326 5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.097 -8.079 4.119 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.110 -9.800 3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.691 -8.538 6.498 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.909 -9.107 5.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -14.625 -10.860 6.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -13.682 -11.334 5.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.936 -10.696 6.901 1.00 0.00 H new ATOM 215 N THR A 98 -8.985 -6.502 4.161 1.00 0.00 N ATOM 216 CA THR A 98 -8.529 -5.376 4.960 1.00 0.00 C ATOM 217 C THR A 98 -8.791 -4.065 4.227 1.00 0.00 C ATOM 218 O THR A 98 -8.181 -3.789 3.194 1.00 0.00 O ATOM 219 CB THR A 98 -7.023 -5.501 5.281 1.00 0.00 C ATOM 220 OG1 THR A 98 -6.793 -6.655 6.099 1.00 0.00 O ATOM 221 CG2 THR A 98 -6.498 -4.261 5.990 1.00 0.00 C ATOM 0 H THR A 98 -8.245 -7.145 3.879 1.00 0.00 H new ATOM 0 HA THR A 98 -9.086 -5.381 5.897 1.00 0.00 H new ATOM 0 HB THR A 98 -6.488 -5.604 4.337 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.836 -6.730 6.298 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.436 -4.384 6.200 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.643 -3.389 5.353 1.00 0.00 H new ATOM 0 HG23 THR A 98 -7.039 -4.121 6.926 1.00 0.00 H new ATOM 229 N LYS A 99 -9.703 -3.261 4.763 1.00 0.00 N ATOM 230 CA LYS A 99 -10.043 -1.990 4.150 1.00 0.00 C ATOM 231 C LYS A 99 -9.229 -0.857 4.759 1.00 0.00 C ATOM 232 O LYS A 99 -9.159 -0.712 5.980 1.00 0.00 O ATOM 233 CB LYS A 99 -11.540 -1.710 4.306 1.00 0.00 C ATOM 234 CG LYS A 99 -12.421 -2.898 3.947 1.00 0.00 C ATOM 235 CD LYS A 99 -13.896 -2.525 3.968 1.00 0.00 C ATOM 236 CE LYS A 99 -14.369 -2.198 5.376 1.00 0.00 C ATOM 237 NZ LYS A 99 -14.268 -3.374 6.284 1.00 0.00 N ATOM 0 H LYS A 99 -10.217 -3.470 5.619 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.803 -2.049 3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.741 -1.417 5.336 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.811 -0.863 3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.152 -3.266 2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.240 -3.712 4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.064 -1.666 3.318 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.486 -3.349 3.567 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.774 -1.378 5.777 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.403 -1.854 5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.824 -3.197 7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.637 -4.218 5.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.272 -3.530 6.541 1.00 0.00 H new ATOM 251 N PHE A 100 -8.618 -0.054 3.897 1.00 0.00 N ATOM 252 CA PHE A 100 -7.797 1.066 4.345 1.00 0.00 C ATOM 253 C PHE A 100 -8.642 2.095 5.090 1.00 0.00 C ATOM 254 O PHE A 100 -9.870 2.091 4.997 1.00 0.00 O ATOM 255 CB PHE A 100 -7.097 1.725 3.156 1.00 0.00 C ATOM 256 CG PHE A 100 -6.443 0.742 2.225 1.00 0.00 C ATOM 257 CD1 PHE A 100 -5.562 -0.211 2.711 1.00 0.00 C ATOM 258 CD2 PHE A 100 -6.704 0.774 0.864 1.00 0.00 C ATOM 259 CE1 PHE A 100 -4.953 -1.110 1.856 1.00 0.00 C ATOM 260 CE2 PHE A 100 -6.100 -0.123 0.007 1.00 0.00 C ATOM 261 CZ PHE A 100 -5.223 -1.066 0.502 1.00 0.00 C ATOM 0 H PHE A 100 -8.675 -0.157 2.884 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.042 0.679 5.029 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.824 2.314 2.597 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.343 2.419 3.527 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.349 -0.252 3.769 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.389 1.510 0.469 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.266 -1.847 2.246 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.314 -0.087 -1.051 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.749 -1.768 -0.168 1.00 0.00 H new ATOM 311 N GLY A 105 -5.078 3.471 1.812 1.00 0.00 N ATOM 312 CA GLY A 105 -4.091 2.910 2.714 1.00 0.00 C ATOM 313 C GLY A 105 -2.679 3.029 2.178 1.00 0.00 C ATOM 314 O GLY A 105 -2.234 4.119 1.824 1.00 0.00 O ATOM 0 HA2 GLY A 105 -4.154 3.417 3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.321 1.859 2.891 1.00 0.00 H new ATOM 318 N HIS A 106 -1.976 1.904 2.119 1.00 0.00 N ATOM 319 CA HIS A 106 -0.606 1.891 1.622 1.00 0.00 C ATOM 320 C HIS A 106 -0.571 1.441 0.167 1.00 0.00 C ATOM 321 O HIS A 106 -1.070 0.370 -0.176 1.00 0.00 O ATOM 322 CB HIS A 106 0.264 0.967 2.473 1.00 0.00 C ATOM 323 CG HIS A 106 0.296 1.342 3.923 1.00 0.00 C ATOM 324 ND1 HIS A 106 1.034 2.265 4.583 1.00 0.00 N flip ATOM 325 CD2 HIS A 106 -0.495 0.734 4.876 1.00 0.00 C flip ATOM 326 CE1 HIS A 106 0.679 2.198 5.908 1.00 0.00 C flip ATOM 327 NE2 HIS A 106 -0.245 1.269 6.059 1.00 0.00 N flip ATOM 0 H HIS A 106 -2.331 0.992 2.408 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.211 2.905 1.687 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.105 -0.054 2.378 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.281 0.976 2.081 1.00 0.00 H new ATOM 0 HD1 HIS A 106 1.725 2.893 4.173 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.207 -0.055 4.685 1.00 0.00 H new ATOM 0 HE1 HIS A 106 1.090 2.808 6.699 1.00 0.00 H new ATOM 336 N ASN A 107 0.025 2.268 -0.682 1.00 0.00 N ATOM 337 CA ASN A 107 0.122 1.961 -2.102 1.00 0.00 C ATOM 338 C ASN A 107 1.570 1.725 -2.507 1.00 0.00 C ATOM 339 O ASN A 107 2.453 2.530 -2.212 1.00 0.00 O ATOM 340 CB ASN A 107 -0.485 3.095 -2.931 1.00 0.00 C ATOM 341 CG ASN A 107 -1.862 3.511 -2.440 1.00 0.00 C ATOM 342 OD1 ASN A 107 -2.633 2.555 -1.923 1.00 0.00 O flip ATOM 343 ND2 ASN A 107 -2.234 4.681 -2.529 1.00 0.00 N flip ATOM 0 H ASN A 107 0.448 3.156 -0.412 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.438 1.046 -2.294 1.00 0.00 H new ATOM 0 HB2 ASN A 107 0.182 3.957 -2.903 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -0.555 2.781 -3.972 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.614 5.384 -2.931 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -3.162 4.947 -2.201 1.00 0.00 H new ATOM 350 N CYS A 108 1.798 0.609 -3.186 1.00 0.00 N ATOM 351 CA CYS A 108 3.131 0.235 -3.637 1.00 0.00 C ATOM 352 C CYS A 108 3.770 1.339 -4.467 1.00 0.00 C ATOM 353 O CYS A 108 3.212 1.779 -5.471 1.00 0.00 O ATOM 354 CB CYS A 108 3.054 -1.042 -4.469 1.00 0.00 C ATOM 355 SG CYS A 108 4.657 -1.783 -4.842 1.00 0.00 S ATOM 0 H CYS A 108 1.069 -0.059 -3.438 1.00 0.00 H new ATOM 0 HA CYS A 108 3.748 0.070 -2.754 1.00 0.00 H new ATOM 0 HB2 CYS A 108 2.444 -1.772 -3.937 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.542 -0.821 -5.406 1.00 0.00 H new ATOM 0 HG CYS A 108 4.637 -3.043 -4.524 1.00 0.00 H new ATOM 360 N SER A 109 4.948 1.780 -4.044 1.00 0.00 N ATOM 361 CA SER A 109 5.675 2.822 -4.755 1.00 0.00 C ATOM 362 C SER A 109 6.066 2.363 -6.162 1.00 0.00 C ATOM 363 O SER A 109 6.466 3.175 -6.995 1.00 0.00 O ATOM 364 CB SER A 109 6.928 3.217 -3.973 1.00 0.00 C ATOM 365 OG SER A 109 7.833 2.132 -3.876 1.00 0.00 O ATOM 0 H SER A 109 5.421 1.431 -3.210 1.00 0.00 H new ATOM 0 HA SER A 109 5.018 3.687 -4.847 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.416 4.059 -4.464 1.00 0.00 H new ATOM 0 HB3 SER A 109 6.647 3.550 -2.974 1.00 0.00 H new ATOM 0 HG SER A 109 8.626 2.412 -3.373 1.00 0.00 H new ATOM 371 N TYR A 110 5.952 1.059 -6.420 1.00 0.00 N ATOM 372 CA TYR A 110 6.313 0.508 -7.719 1.00 0.00 C ATOM 373 C TYR A 110 5.085 0.194 -8.582 1.00 0.00 C ATOM 374 O TYR A 110 4.707 0.991 -9.440 1.00 0.00 O ATOM 375 CB TYR A 110 7.158 -0.754 -7.537 1.00 0.00 C ATOM 376 CG TYR A 110 8.512 -0.489 -6.912 1.00 0.00 C ATOM 377 CD1 TYR A 110 9.593 -0.107 -7.696 1.00 0.00 C ATOM 378 CD2 TYR A 110 8.708 -0.623 -5.542 1.00 0.00 C ATOM 379 CE1 TYR A 110 10.832 0.135 -7.134 1.00 0.00 C ATOM 380 CE2 TYR A 110 9.945 -0.381 -4.973 1.00 0.00 C ATOM 381 CZ TYR A 110 11.003 -0.003 -5.772 1.00 0.00 C ATOM 382 OH TYR A 110 12.235 0.237 -5.209 1.00 0.00 O ATOM 0 H TYR A 110 5.614 0.371 -5.747 1.00 0.00 H new ATOM 0 HA TYR A 110 6.892 1.269 -8.242 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.611 -1.461 -6.914 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.301 -1.229 -8.508 1.00 0.00 H new ATOM 0 HD1 TYR A 110 9.463 0.003 -8.763 1.00 0.00 H new ATOM 0 HD2 TYR A 110 7.882 -0.920 -4.913 1.00 0.00 H new ATOM 0 HE1 TYR A 110 11.662 0.431 -7.758 1.00 0.00 H new ATOM 0 HE2 TYR A 110 10.082 -0.488 -3.907 1.00 0.00 H new ATOM 0 HH TYR A 110 12.185 0.096 -4.240 1.00 0.00 H new ATOM 392 N CYS A 111 4.464 -0.965 -8.355 1.00 0.00 N ATOM 393 CA CYS A 111 3.298 -1.369 -9.144 1.00 0.00 C ATOM 394 C CYS A 111 2.016 -0.649 -8.711 1.00 0.00 C ATOM 395 O CYS A 111 0.938 -0.930 -9.235 1.00 0.00 O ATOM 396 CB CYS A 111 3.101 -2.889 -9.087 1.00 0.00 C ATOM 397 SG CYS A 111 3.072 -3.593 -7.408 1.00 0.00 S ATOM 0 H CYS A 111 4.745 -1.635 -7.639 1.00 0.00 H new ATOM 0 HA CYS A 111 3.500 -1.075 -10.174 1.00 0.00 H new ATOM 0 HB2 CYS A 111 2.165 -3.139 -9.587 1.00 0.00 H new ATOM 0 HB3 CYS A 111 3.901 -3.366 -9.652 1.00 0.00 H new ATOM 0 HG CYS A 111 3.683 -2.789 -6.590 1.00 0.00 H new ATOM 402 N GLN A 112 2.131 0.275 -7.760 1.00 0.00 N ATOM 403 CA GLN A 112 0.977 1.041 -7.294 1.00 0.00 C ATOM 404 C GLN A 112 -0.090 0.154 -6.655 1.00 0.00 C ATOM 405 O GLN A 112 -1.212 0.604 -6.422 1.00 0.00 O ATOM 406 CB GLN A 112 0.361 1.829 -8.453 1.00 0.00 C ATOM 407 CG GLN A 112 1.235 2.968 -8.955 1.00 0.00 C ATOM 408 CD GLN A 112 2.473 2.484 -9.684 1.00 0.00 C ATOM 409 OE1 GLN A 112 2.461 1.432 -10.323 1.00 0.00 O ATOM 410 NE2 GLN A 112 3.552 3.252 -9.591 1.00 0.00 N ATOM 0 H GLN A 112 3.009 0.511 -7.298 1.00 0.00 H new ATOM 0 HA GLN A 112 1.339 1.728 -6.529 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.161 1.146 -9.279 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.600 2.234 -8.135 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.650 3.601 -9.623 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.536 3.588 -8.110 1.00 0.00 H new ATOM 0 HE21 GLN A 112 3.518 4.116 -9.051 1.00 0.00 H new ATOM 0 HE22 GLN A 112 4.415 2.978 -10.060 1.00 0.00 H new ATOM 419 N THR A 113 0.248 -1.100 -6.371 1.00 0.00 N ATOM 420 CA THR A 113 -0.706 -2.011 -5.757 1.00 0.00 C ATOM 421 C THR A 113 -1.090 -1.532 -4.364 1.00 0.00 C ATOM 422 O THR A 113 -0.225 -1.269 -3.528 1.00 0.00 O ATOM 423 CB THR A 113 -0.151 -3.444 -5.648 1.00 0.00 C ATOM 424 OG1 THR A 113 0.252 -3.914 -6.941 1.00 0.00 O ATOM 425 CG2 THR A 113 -1.199 -4.388 -5.067 1.00 0.00 C ATOM 0 H THR A 113 1.167 -1.504 -6.555 1.00 0.00 H new ATOM 0 HA THR A 113 -1.583 -2.023 -6.404 1.00 0.00 H new ATOM 0 HB THR A 113 0.711 -3.425 -4.982 1.00 0.00 H new ATOM 0 HG1 THR A 113 1.215 -4.098 -6.937 1.00 0.00 H new ATOM 0 HG21 THR A 113 -0.785 -5.394 -4.999 1.00 0.00 H new ATOM 0 HG22 THR A 113 -1.485 -4.046 -4.073 1.00 0.00 H new ATOM 0 HG23 THR A 113 -2.077 -4.400 -5.713 1.00 0.00 H new ATOM 433 N LYS A 114 -2.387 -1.421 -4.116 1.00 0.00 N ATOM 434 CA LYS A 114 -2.872 -0.979 -2.816 1.00 0.00 C ATOM 435 C LYS A 114 -2.878 -2.138 -1.836 1.00 0.00 C ATOM 436 O LYS A 114 -3.655 -3.082 -1.972 1.00 0.00 O ATOM 437 CB LYS A 114 -4.273 -0.383 -2.933 1.00 0.00 C ATOM 438 CG LYS A 114 -5.308 -1.351 -3.484 1.00 0.00 C ATOM 439 CD LYS A 114 -6.363 -0.635 -4.313 1.00 0.00 C ATOM 440 CE LYS A 114 -7.229 0.281 -3.461 1.00 0.00 C ATOM 441 NZ LYS A 114 -6.516 1.531 -3.074 1.00 0.00 N ATOM 0 H LYS A 114 -3.120 -1.630 -4.794 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.199 -0.205 -2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.596 -0.042 -1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.231 0.495 -3.577 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.812 -2.103 -4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -5.789 -1.878 -2.660 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -5.876 -0.051 -5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.994 -1.371 -4.811 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -8.135 0.537 -4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.541 -0.250 -2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.199 2.311 -2.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.046 1.393 -2.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.804 1.763 -3.796 1.00 0.00 H new ATOM 455 N PHE A 115 -2.005 -2.055 -0.845 1.00 0.00 N ATOM 456 CA PHE A 115 -1.882 -3.106 0.154 1.00 0.00 C ATOM 457 C PHE A 115 -2.047 -2.560 1.566 1.00 0.00 C ATOM 458 O PHE A 115 -1.962 -1.352 1.798 1.00 0.00 O ATOM 459 CB PHE A 115 -0.530 -3.803 0.017 1.00 0.00 C ATOM 460 CG PHE A 115 0.636 -2.860 0.000 1.00 0.00 C ATOM 461 CD1 PHE A 115 1.018 -2.185 1.148 1.00 0.00 C ATOM 462 CD2 PHE A 115 1.355 -2.653 -1.164 1.00 0.00 C ATOM 463 CE1 PHE A 115 2.097 -1.322 1.133 1.00 0.00 C ATOM 464 CE2 PHE A 115 2.434 -1.792 -1.184 1.00 0.00 C ATOM 465 CZ PHE A 115 2.807 -1.127 -0.036 1.00 0.00 C ATOM 0 H PHE A 115 -1.369 -1.269 -0.710 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.681 -3.827 -0.020 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.407 -4.504 0.843 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.525 -4.389 -0.902 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.467 -2.335 2.064 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.069 -3.171 -2.067 1.00 0.00 H new ATOM 0 HE1 PHE A 115 2.385 -0.801 2.034 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.986 -1.640 -2.100 1.00 0.00 H new ATOM 0 HZ PHE A 115 3.652 -0.455 -0.050 1.00 0.00 H new ATOM 475 N CYS A 116 -2.287 -3.468 2.505 1.00 0.00 N ATOM 476 CA CYS A 116 -2.475 -3.104 3.901 1.00 0.00 C ATOM 477 C CYS A 116 -1.130 -3.030 4.616 1.00 0.00 C ATOM 478 O CYS A 116 -0.103 -3.426 4.064 1.00 0.00 O ATOM 479 CB CYS A 116 -3.394 -4.120 4.589 1.00 0.00 C ATOM 480 SG CYS A 116 -2.677 -5.786 4.763 1.00 0.00 S ATOM 0 H CYS A 116 -2.356 -4.469 2.321 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.943 -2.121 3.949 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -3.654 -3.744 5.579 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -4.322 -4.194 4.022 1.00 0.00 H new ATOM 0 HG CYS A 116 -3.531 -6.566 5.357 1.00 0.00 H new ATOM 485 N ALA A 117 -1.140 -2.529 5.843 1.00 0.00 N ATOM 486 CA ALA A 117 0.086 -2.399 6.623 1.00 0.00 C ATOM 487 C ALA A 117 0.809 -3.737 6.773 1.00 0.00 C ATOM 488 O ALA A 117 2.000 -3.773 7.079 1.00 0.00 O ATOM 489 CB ALA A 117 -0.225 -1.809 7.990 1.00 0.00 C ATOM 0 H ALA A 117 -1.981 -2.206 6.321 1.00 0.00 H new ATOM 0 HA ALA A 117 0.753 -1.726 6.084 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.697 -1.716 8.564 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.677 -0.825 7.867 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.918 -2.463 8.519 1.00 0.00 H new ATOM 495 N ARG A 118 0.088 -4.833 6.555 1.00 0.00 N ATOM 496 CA ARG A 118 0.670 -6.165 6.687 1.00 0.00 C ATOM 497 C ARG A 118 1.152 -6.718 5.346 1.00 0.00 C ATOM 498 O ARG A 118 1.920 -7.679 5.310 1.00 0.00 O ATOM 499 CB ARG A 118 -0.349 -7.124 7.306 1.00 0.00 C ATOM 500 CG ARG A 118 -0.943 -6.620 8.610 1.00 0.00 C ATOM 501 CD ARG A 118 0.111 -6.510 9.698 1.00 0.00 C ATOM 502 NE ARG A 118 -0.444 -5.995 10.946 1.00 0.00 N ATOM 503 CZ ARG A 118 0.149 -6.127 12.127 1.00 0.00 C ATOM 504 NH1 ARG A 118 1.311 -6.759 12.222 1.00 0.00 N ATOM 505 NH2 ARG A 118 -0.419 -5.629 13.216 1.00 0.00 N ATOM 0 H ARG A 118 -0.896 -4.826 6.287 1.00 0.00 H new ATOM 0 HA ARG A 118 1.539 -6.077 7.340 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -1.154 -7.296 6.592 1.00 0.00 H new ATOM 0 HB3 ARG A 118 0.131 -8.087 7.483 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -1.403 -5.645 8.448 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -1.734 -7.296 8.936 1.00 0.00 H new ATOM 0 HD2 ARG A 118 0.553 -7.490 9.875 1.00 0.00 H new ATOM 0 HD3 ARG A 118 0.914 -5.855 9.360 1.00 0.00 H new ATOM 0 HE ARG A 118 -1.338 -5.506 10.909 1.00 0.00 H new ATOM 0 HH11 ARG A 118 1.751 -7.145 11.387 1.00 0.00 H new ATOM 0 HH12 ARG A 118 1.764 -6.859 13.130 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -1.313 -5.143 13.148 1.00 0.00 H new ATOM 0 HH22 ARG A 118 0.038 -5.732 14.122 1.00 0.00 H new ATOM 519 N CYS A 119 0.706 -6.117 4.246 1.00 0.00 N ATOM 520 CA CYS A 119 1.109 -6.578 2.921 1.00 0.00 C ATOM 521 C CYS A 119 2.075 -5.603 2.261 1.00 0.00 C ATOM 522 O CYS A 119 2.065 -5.429 1.042 1.00 0.00 O ATOM 523 CB CYS A 119 -0.115 -6.785 2.036 1.00 0.00 C ATOM 524 SG CYS A 119 -1.122 -8.227 2.496 1.00 0.00 S ATOM 0 H CYS A 119 0.072 -5.318 4.245 1.00 0.00 H new ATOM 0 HA CYS A 119 1.625 -7.530 3.044 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -0.737 -5.891 2.079 1.00 0.00 H new ATOM 0 HB3 CYS A 119 0.211 -6.897 1.002 1.00 0.00 H new ATOM 0 HG CYS A 119 -1.977 -7.884 3.413 1.00 0.00 H new ATOM 529 N GLY A 120 2.912 -4.975 3.075 1.00 0.00 N ATOM 530 CA GLY A 120 3.884 -4.030 2.558 1.00 0.00 C ATOM 531 C GLY A 120 4.785 -3.480 3.647 1.00 0.00 C ATOM 532 O GLY A 120 4.622 -3.812 4.822 1.00 0.00 O ATOM 0 H GLY A 120 2.936 -5.103 4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.493 -4.518 1.797 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.363 -3.206 2.070 1.00 0.00 H new ATOM 536 N GLY A 121 5.737 -2.636 3.259 1.00 0.00 N ATOM 537 CA GLY A 121 6.653 -2.062 4.229 1.00 0.00 C ATOM 538 C GLY A 121 6.934 -0.594 3.977 1.00 0.00 C ATOM 539 O GLY A 121 6.811 -0.113 2.850 1.00 0.00 O ATOM 0 H GLY A 121 5.890 -2.340 2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 121 6.236 -2.181 5.229 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.592 -2.616 4.207 1.00 0.00 H new ATOM 543 N ARG A 122 7.313 0.120 5.033 1.00 0.00 N ATOM 544 CA ARG A 122 7.615 1.543 4.931 1.00 0.00 C ATOM 545 C ARG A 122 9.086 1.765 4.593 1.00 0.00 C ATOM 546 O ARG A 122 9.972 1.193 5.228 1.00 0.00 O ATOM 547 CB ARG A 122 7.272 2.250 6.242 1.00 0.00 C ATOM 548 CG ARG A 122 7.609 3.732 6.241 1.00 0.00 C ATOM 549 CD ARG A 122 7.136 4.408 7.517 1.00 0.00 C ATOM 550 NE ARG A 122 7.694 3.778 8.710 1.00 0.00 N ATOM 551 CZ ARG A 122 7.202 3.950 9.933 1.00 0.00 C ATOM 552 NH1 ARG A 122 6.143 4.727 10.121 1.00 0.00 N ATOM 553 NH2 ARG A 122 7.766 3.343 10.968 1.00 0.00 N ATOM 0 H ARG A 122 7.418 -0.266 5.971 1.00 0.00 H new ATOM 0 HA ARG A 122 7.009 1.961 4.128 1.00 0.00 H new ATOM 0 HB2 ARG A 122 6.208 2.128 6.443 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.808 1.765 7.058 1.00 0.00 H new ATOM 0 HG2 ARG A 122 8.686 3.862 6.136 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.145 4.212 5.379 1.00 0.00 H new ATOM 0 HD2 ARG A 122 7.420 5.460 7.496 1.00 0.00 H new ATOM 0 HD3 ARG A 122 6.048 4.372 7.564 1.00 0.00 H new ATOM 0 HE ARG A 122 8.507 3.172 8.599 1.00 0.00 H new ATOM 0 HH11 ARG A 122 5.705 5.193 9.327 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.767 4.858 11.060 1.00 0.00 H new ATOM 0 HH21 ARG A 122 8.579 2.743 10.827 1.00 0.00 H new ATOM 0 HH22 ARG A 122 7.387 3.476 11.906 1.00 0.00 H new ATOM 700 N MET A 131 7.367 6.532 1.147 1.00 0.00 N ATOM 701 CA MET A 131 6.687 5.644 0.210 1.00 0.00 C ATOM 702 C MET A 131 6.646 4.217 0.742 1.00 0.00 C ATOM 703 O MET A 131 7.496 3.814 1.537 1.00 0.00 O ATOM 704 CB MET A 131 7.378 5.681 -1.154 1.00 0.00 C ATOM 705 CG MET A 131 7.536 7.086 -1.712 1.00 0.00 C ATOM 706 SD MET A 131 7.890 7.096 -3.479 1.00 0.00 S ATOM 707 CE MET A 131 6.340 6.485 -4.137 1.00 0.00 C ATOM 0 HA MET A 131 5.661 5.994 0.095 1.00 0.00 H new ATOM 0 HB2 MET A 131 8.362 5.220 -1.067 1.00 0.00 H new ATOM 0 HB3 MET A 131 6.805 5.080 -1.860 1.00 0.00 H new ATOM 0 HG2 MET A 131 6.623 7.652 -1.525 1.00 0.00 H new ATOM 0 HG3 MET A 131 8.341 7.595 -1.181 1.00 0.00 H new ATOM 0 HE1 MET A 131 6.525 5.958 -5.073 1.00 0.00 H new ATOM 0 HE2 MET A 131 5.884 5.802 -3.420 1.00 0.00 H new ATOM 0 HE3 MET A 131 5.667 7.323 -4.319 1.00 0.00 H new ATOM 717 N TRP A 132 5.650 3.458 0.300 1.00 0.00 N ATOM 718 CA TRP A 132 5.486 2.077 0.738 1.00 0.00 C ATOM 719 C TRP A 132 5.667 1.097 -0.418 1.00 0.00 C ATOM 720 O TRP A 132 5.272 1.372 -1.551 1.00 0.00 O ATOM 721 CB TRP A 132 4.108 1.893 1.373 1.00 0.00 C ATOM 722 CG TRP A 132 4.053 2.322 2.805 1.00 0.00 C ATOM 723 CD1 TRP A 132 4.094 3.599 3.287 1.00 0.00 C ATOM 724 CD2 TRP A 132 3.944 1.466 3.943 1.00 0.00 C ATOM 725 NE1 TRP A 132 4.017 3.587 4.660 1.00 0.00 N ATOM 726 CE2 TRP A 132 3.921 2.286 5.086 1.00 0.00 C ATOM 727 CE3 TRP A 132 3.860 0.081 4.104 1.00 0.00 C ATOM 728 CZ2 TRP A 132 3.820 1.765 6.374 1.00 0.00 C ATOM 729 CZ3 TRP A 132 3.761 -0.436 5.382 1.00 0.00 C ATOM 730 CH2 TRP A 132 3.739 0.405 6.502 1.00 0.00 C ATOM 0 H TRP A 132 4.943 3.776 -0.362 1.00 0.00 H new ATOM 0 HA TRP A 132 6.258 1.864 1.478 1.00 0.00 H new ATOM 0 HB2 TRP A 132 3.374 2.462 0.802 1.00 0.00 H new ATOM 0 HB3 TRP A 132 3.821 0.844 1.304 1.00 0.00 H new ATOM 0 HD1 TRP A 132 4.175 4.488 2.679 1.00 0.00 H new ATOM 0 HE1 TRP A 132 4.029 4.410 5.263 1.00 0.00 H new ATOM 0 HE3 TRP A 132 3.872 -0.574 3.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 3.806 2.411 7.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 3.700 -1.505 5.519 1.00 0.00 H new ATOM 0 HH2 TRP A 132 3.656 -0.029 7.487 1.00 0.00 H new ATOM 741 N VAL A 133 6.267 -0.052 -0.117 1.00 0.00 N ATOM 742 CA VAL A 133 6.505 -1.087 -1.117 1.00 0.00 C ATOM 743 C VAL A 133 5.914 -2.421 -0.664 1.00 0.00 C ATOM 744 O VAL A 133 6.164 -2.874 0.452 1.00 0.00 O ATOM 745 CB VAL A 133 8.014 -1.264 -1.391 1.00 0.00 C ATOM 746 CG1 VAL A 133 8.257 -2.385 -2.391 1.00 0.00 C ATOM 747 CG2 VAL A 133 8.619 0.037 -1.893 1.00 0.00 C ATOM 0 H VAL A 133 6.599 -0.290 0.818 1.00 0.00 H new ATOM 0 HA VAL A 133 6.016 -0.769 -2.038 1.00 0.00 H new ATOM 0 HB VAL A 133 8.500 -1.535 -0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 133 9.328 -2.490 -2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 133 7.862 -3.320 -1.993 1.00 0.00 H new ATOM 0 HG13 VAL A 133 7.756 -2.150 -3.330 1.00 0.00 H new ATOM 0 HG21 VAL A 133 9.683 -0.105 -2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 133 8.124 0.336 -2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 133 8.484 0.815 -1.141 1.00 0.00 H new ATOM 757 N CYS A 134 5.127 -3.045 -1.537 1.00 0.00 N ATOM 758 CA CYS A 134 4.496 -4.321 -1.216 1.00 0.00 C ATOM 759 C CYS A 134 5.536 -5.409 -0.983 1.00 0.00 C ATOM 760 O CYS A 134 6.651 -5.348 -1.500 1.00 0.00 O ATOM 761 CB CYS A 134 3.536 -4.752 -2.330 1.00 0.00 C ATOM 762 SG CYS A 134 4.349 -5.221 -3.892 1.00 0.00 S ATOM 0 H CYS A 134 4.912 -2.689 -2.468 1.00 0.00 H new ATOM 0 HA CYS A 134 3.929 -4.181 -0.296 1.00 0.00 H new ATOM 0 HB2 CYS A 134 2.945 -5.596 -1.976 1.00 0.00 H new ATOM 0 HB3 CYS A 134 2.841 -3.936 -2.528 1.00 0.00 H new ATOM 0 HG CYS A 134 3.448 -5.569 -4.762 1.00 0.00 H new ATOM 767 N ASN A 135 5.148 -6.403 -0.194 1.00 0.00 N ATOM 768 CA ASN A 135 6.022 -7.525 0.141 1.00 0.00 C ATOM 769 C ASN A 135 6.581 -8.219 -1.103 1.00 0.00 C ATOM 770 O ASN A 135 7.582 -8.932 -1.021 1.00 0.00 O ATOM 771 CB ASN A 135 5.261 -8.538 0.998 1.00 0.00 C ATOM 772 CG ASN A 135 4.800 -7.947 2.316 1.00 0.00 C ATOM 773 OD1 ASN A 135 4.603 -6.737 2.431 1.00 0.00 O ATOM 774 ND2 ASN A 135 4.623 -8.798 3.318 1.00 0.00 N ATOM 0 H ASN A 135 4.222 -6.456 0.231 1.00 0.00 H new ATOM 0 HA ASN A 135 6.867 -7.122 0.699 1.00 0.00 H new ATOM 0 HB2 ASN A 135 4.396 -8.902 0.444 1.00 0.00 H new ATOM 0 HB3 ASN A 135 5.901 -9.399 1.193 1.00 0.00 H new ATOM 0 HD21 ASN A 135 4.312 -8.457 4.228 1.00 0.00 H new ATOM 0 HD22 ASN A 135 4.798 -9.793 3.179 1.00 0.00 H new ATOM 781 N LEU A 136 5.948 -8.001 -2.251 1.00 0.00 N ATOM 782 CA LEU A 136 6.393 -8.630 -3.493 1.00 0.00 C ATOM 783 C LEU A 136 7.568 -7.873 -4.099 1.00 0.00 C ATOM 784 O LEU A 136 8.494 -8.476 -4.640 1.00 0.00 O ATOM 785 CB LEU A 136 5.239 -8.682 -4.496 1.00 0.00 C ATOM 786 CG LEU A 136 3.885 -9.048 -3.896 1.00 0.00 C ATOM 787 CD1 LEU A 136 2.854 -9.273 -4.992 1.00 0.00 C ATOM 788 CD2 LEU A 136 4.010 -10.278 -3.014 1.00 0.00 C ATOM 0 H LEU A 136 5.131 -7.398 -2.349 1.00 0.00 H new ATOM 0 HA LEU A 136 6.719 -9.644 -3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.154 -7.710 -4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 136 5.484 -9.406 -5.273 1.00 0.00 H new ATOM 0 HG LEU A 136 3.546 -8.216 -3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 136 1.896 -9.533 -4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 136 2.744 -8.362 -5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 136 3.183 -10.086 -5.640 1.00 0.00 H new ATOM 0 HD21 LEU A 136 3.035 -10.525 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 136 4.372 -11.117 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 136 4.713 -10.076 -2.206 1.00 0.00 H new ATOM 800 N CYS A 137 7.524 -6.552 -4.009 1.00 0.00 N ATOM 801 CA CYS A 137 8.594 -5.718 -4.539 1.00 0.00 C ATOM 802 C CYS A 137 9.703 -5.566 -3.505 1.00 0.00 C ATOM 803 O CYS A 137 10.882 -5.482 -3.848 1.00 0.00 O ATOM 804 CB CYS A 137 8.054 -4.343 -4.938 1.00 0.00 C ATOM 805 SG CYS A 137 6.932 -4.368 -6.374 1.00 0.00 S ATOM 0 H CYS A 137 6.760 -6.034 -3.575 1.00 0.00 H new ATOM 0 HA CYS A 137 9.002 -6.201 -5.426 1.00 0.00 H new ATOM 0 HB2 CYS A 137 7.527 -3.911 -4.087 1.00 0.00 H new ATOM 0 HB3 CYS A 137 8.895 -3.685 -5.159 1.00 0.00 H new ATOM 0 HG CYS A 137 5.955 -3.534 -6.176 1.00 0.00 H new ATOM 810 N ARG A 138 9.310 -5.535 -2.235 1.00 0.00 N ATOM 811 CA ARG A 138 10.260 -5.400 -1.139 1.00 0.00 C ATOM 812 C ARG A 138 11.191 -6.606 -1.075 1.00 0.00 C ATOM 813 O ARG A 138 12.351 -6.486 -0.683 1.00 0.00 O ATOM 814 CB ARG A 138 9.517 -5.247 0.190 1.00 0.00 C ATOM 815 CG ARG A 138 10.438 -5.088 1.388 1.00 0.00 C ATOM 816 CD ARG A 138 9.655 -5.051 2.690 1.00 0.00 C ATOM 817 NE ARG A 138 10.532 -4.916 3.851 1.00 0.00 N ATOM 818 CZ ARG A 138 10.088 -4.781 5.096 1.00 0.00 C ATOM 819 NH1 ARG A 138 8.785 -4.766 5.341 1.00 0.00 N ATOM 820 NH2 ARG A 138 10.949 -4.660 6.097 1.00 0.00 N ATOM 0 H ARG A 138 8.336 -5.602 -1.940 1.00 0.00 H new ATOM 0 HA ARG A 138 10.860 -4.508 -1.319 1.00 0.00 H new ATOM 0 HB2 ARG A 138 8.859 -4.380 0.131 1.00 0.00 H new ATOM 0 HB3 ARG A 138 8.882 -6.119 0.344 1.00 0.00 H new ATOM 0 HG2 ARG A 138 11.150 -5.913 1.413 1.00 0.00 H new ATOM 0 HG3 ARG A 138 11.017 -4.170 1.284 1.00 0.00 H new ATOM 0 HD2 ARG A 138 8.952 -4.218 2.667 1.00 0.00 H new ATOM 0 HD3 ARG A 138 9.065 -5.963 2.785 1.00 0.00 H new ATOM 0 HE ARG A 138 11.540 -4.926 3.697 1.00 0.00 H new ATOM 0 HH11 ARG A 138 8.121 -4.858 4.573 1.00 0.00 H new ATOM 0 HH12 ARG A 138 8.447 -4.662 6.298 1.00 0.00 H new ATOM 0 HH21 ARG A 138 11.952 -4.671 5.911 1.00 0.00 H new ATOM 0 HH22 ARG A 138 10.608 -4.556 7.053 1.00 0.00 H new ATOM 834 N LYS A 139 10.674 -7.771 -1.459 1.00 0.00 N ATOM 835 CA LYS A 139 11.459 -8.999 -1.439 1.00 0.00 C ATOM 836 C LYS A 139 12.167 -9.221 -2.773 1.00 0.00 C ATOM 837 O LYS A 139 13.355 -9.540 -2.808 1.00 0.00 O ATOM 838 CB LYS A 139 10.563 -10.198 -1.121 1.00 0.00 C ATOM 839 CG LYS A 139 11.325 -11.506 -0.989 1.00 0.00 C ATOM 840 CD LYS A 139 10.404 -12.653 -0.603 1.00 0.00 C ATOM 841 CE LYS A 139 11.183 -13.939 -0.379 1.00 0.00 C ATOM 842 NZ LYS A 139 12.219 -13.785 0.680 1.00 0.00 N ATOM 0 H LYS A 139 9.715 -7.889 -1.787 1.00 0.00 H new ATOM 0 HA LYS A 139 12.215 -8.900 -0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 139 10.026 -10.004 -0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 139 9.814 -10.301 -1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 139 11.819 -11.737 -1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 139 12.107 -11.398 -0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 139 9.858 -12.394 0.304 1.00 0.00 H new ATOM 0 HD3 LYS A 139 9.663 -12.807 -1.388 1.00 0.00 H new ATOM 0 HE2 LYS A 139 10.494 -14.736 -0.100 1.00 0.00 H new ATOM 0 HE3 LYS A 139 11.660 -14.242 -1.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 12.537 -14.724 0.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 13.028 -13.254 0.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 11.816 -13.269 1.488 1.00 0.00 H new ATOM 856 N GLN A 140 11.430 -9.050 -3.865 1.00 0.00 N ATOM 857 CA GLN A 140 11.992 -9.236 -5.200 1.00 0.00 C ATOM 858 C GLN A 140 13.021 -8.156 -5.515 1.00 0.00 C ATOM 859 O GLN A 140 13.995 -8.403 -6.225 1.00 0.00 O ATOM 860 CB GLN A 140 10.882 -9.220 -6.252 1.00 0.00 C ATOM 861 CG GLN A 140 9.918 -10.390 -6.139 1.00 0.00 C ATOM 862 CD GLN A 140 8.830 -10.354 -7.195 1.00 0.00 C ATOM 863 OE1 GLN A 140 9.094 -10.975 -8.338 1.00 0.00 O flip ATOM 864 NE2 GLN A 140 7.765 -9.773 -6.984 1.00 0.00 N flip ATOM 0 H GLN A 140 10.445 -8.784 -3.854 1.00 0.00 H new ATOM 0 HA GLN A 140 12.491 -10.205 -5.223 1.00 0.00 H new ATOM 0 HB2 GLN A 140 10.322 -8.289 -6.163 1.00 0.00 H new ATOM 0 HB3 GLN A 140 11.333 -9.227 -7.244 1.00 0.00 H new ATOM 0 HG2 GLN A 140 10.474 -11.324 -6.227 1.00 0.00 H new ATOM 0 HG3 GLN A 140 9.460 -10.384 -5.150 1.00 0.00 H new ATOM 0 HE21 GLN A 140 7.606 -9.309 -6.090 1.00 0.00 H new ATOM 0 HE22 GLN A 140 7.042 -9.756 -7.703 1.00 0.00 H new ATOM 873 N GLN A 141 12.800 -6.959 -4.983 1.00 0.00 N ATOM 874 CA GLN A 141 13.710 -5.844 -5.212 1.00 0.00 C ATOM 875 C GLN A 141 13.760 -4.926 -3.996 1.00 0.00 C ATOM 876 O GLN A 141 13.483 -3.731 -4.095 1.00 0.00 O ATOM 877 CB GLN A 141 13.279 -5.051 -6.448 1.00 0.00 C ATOM 878 CG GLN A 141 11.870 -4.491 -6.351 1.00 0.00 C ATOM 879 CD GLN A 141 11.439 -3.769 -7.614 1.00 0.00 C ATOM 880 OE1 GLN A 141 11.698 -2.468 -7.671 1.00 0.00 O flip ATOM 881 NE2 GLN A 141 10.880 -4.375 -8.528 1.00 0.00 N flip ATOM 0 H GLN A 141 12.000 -6.737 -4.391 1.00 0.00 H new ATOM 0 HA GLN A 141 14.708 -6.250 -5.380 1.00 0.00 H new ATOM 0 HB2 GLN A 141 13.978 -4.229 -6.604 1.00 0.00 H new ATOM 0 HB3 GLN A 141 13.345 -5.696 -7.324 1.00 0.00 H new ATOM 0 HG2 GLN A 141 11.173 -5.304 -6.146 1.00 0.00 H new ATOM 0 HG3 GLN A 141 11.814 -3.803 -5.507 1.00 0.00 H new ATOM 0 HE21 GLN A 141 10.701 -5.375 -8.442 1.00 0.00 H new ATOM 0 HE22 GLN A 141 10.596 -3.877 -9.372 1.00 0.00 H new ATOM 890 N GLU A 142 14.115 -5.494 -2.844 1.00 0.00 N ATOM 891 CA GLU A 142 14.205 -4.730 -1.600 1.00 0.00 C ATOM 892 C GLU A 142 14.926 -3.401 -1.819 1.00 0.00 C ATOM 893 O GLU A 142 16.167 -3.372 -1.676 1.00 0.00 O ATOM 894 CB GLU A 142 14.936 -5.545 -0.530 1.00 0.00 C ATOM 895 CG GLU A 142 14.833 -4.951 0.867 1.00 0.00 C ATOM 896 CD GLU A 142 15.598 -3.649 1.008 1.00 0.00 C ATOM 897 OE1 GLU A 142 15.003 -2.581 0.749 1.00 0.00 O ATOM 898 OE2 GLU A 142 16.789 -3.697 1.378 1.00 0.00 O ATOM 899 OXT GLU A 142 14.244 -2.402 -2.130 1.00 0.00 O ATOM 0 H GLU A 142 14.345 -6.483 -2.746 1.00 0.00 H new ATOM 0 HA GLU A 142 13.190 -4.519 -1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 142 14.530 -6.557 -0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 142 15.988 -5.627 -0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 142 13.784 -4.779 1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 142 15.212 -5.671 1.592 1.00 0.00 H new