USER MOD reduce.3.24.130724 H: found=0, std=0, add=129, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 130 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 18 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 19 SER OG : rot 180:sc= -0.0609 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.149 K(o=-0.15,f=-3.9!) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ILE A 6 -9.839 4.440 -1.789 1.00 0.00 N ATOM 81 CA ILE A 6 -8.655 4.654 -2.611 1.00 0.00 C ATOM 82 C ILE A 6 -7.756 3.422 -2.599 1.00 0.00 C ATOM 83 O ILE A 6 -7.613 2.756 -1.573 1.00 0.00 O ATOM 84 CB ILE A 6 -7.850 5.879 -2.129 1.00 0.00 C ATOM 85 CG1 ILE A 6 -6.663 6.140 -3.058 1.00 0.00 C ATOM 86 CG2 ILE A 6 -7.375 5.674 -0.698 1.00 0.00 C ATOM 87 CD1 ILE A 6 -7.069 6.538 -4.461 1.00 0.00 C ATOM 0 HA ILE A 6 -8.999 4.839 -3.629 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.502 6.752 -2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.044 6.928 -2.630 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.047 5.242 -3.108 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.809 6.547 -0.374 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.237 5.537 -0.045 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.739 4.790 -0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.177 6.707 -5.064 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.663 5.741 -4.908 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.660 7.453 -4.423 1.00 0.00 H new ATOM 99 N LYS A 7 -7.153 3.120 -3.745 1.00 0.00 N ATOM 100 CA LYS A 7 -6.274 1.964 -3.864 1.00 0.00 C ATOM 101 C LYS A 7 -4.814 2.392 -3.975 1.00 0.00 C ATOM 102 O LYS A 7 -4.462 3.224 -4.812 1.00 0.00 O ATOM 103 CB LYS A 7 -6.665 1.124 -5.082 1.00 0.00 C ATOM 104 CG LYS A 7 -6.795 1.935 -6.362 1.00 0.00 C ATOM 105 CD LYS A 7 -8.252 2.205 -6.708 1.00 0.00 C ATOM 106 CE LYS A 7 -8.479 3.663 -7.073 1.00 0.00 C ATOM 107 NZ LYS A 7 -8.244 3.916 -8.521 1.00 0.00 N ATOM 0 H LYS A 7 -7.258 3.660 -4.604 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.387 1.362 -2.962 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.919 0.344 -5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.613 0.625 -4.880 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.266 2.881 -6.249 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.319 1.399 -7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.553 1.570 -7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.883 1.939 -5.860 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.499 3.947 -6.816 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.814 4.293 -6.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.409 4.922 -8.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.263 3.669 -8.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.896 3.334 -9.085 1.00 0.00 H new ATOM 164 N LYS A 11 1.193 4.312 2.481 1.00 0.00 N ATOM 165 CA LYS A 11 1.543 3.315 3.488 1.00 0.00 C ATOM 166 C LYS A 11 0.295 2.670 4.091 1.00 0.00 C ATOM 167 O LYS A 11 0.393 1.709 4.855 1.00 0.00 O ATOM 168 CB LYS A 11 2.383 3.955 4.595 1.00 0.00 C ATOM 169 CG LYS A 11 1.685 5.108 5.298 1.00 0.00 C ATOM 170 CD LYS A 11 2.666 6.205 5.677 1.00 0.00 C ATOM 171 CE LYS A 11 2.658 7.336 4.661 1.00 0.00 C ATOM 172 NZ LYS A 11 3.299 8.569 5.197 1.00 0.00 N ATOM 0 HA LYS A 11 2.125 2.535 2.997 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.640 3.193 5.331 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.319 4.314 4.168 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.913 5.518 4.647 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.185 4.740 6.194 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.412 6.597 6.662 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.670 5.787 5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.181 7.018 3.759 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.631 7.557 4.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.273 9.316 4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.785 8.888 6.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.287 8.365 5.449 1.00 0.00 H new ATOM 186 N ASP A 12 -0.876 3.201 3.746 1.00 0.00 N ATOM 187 CA ASP A 12 -2.137 2.675 4.257 1.00 0.00 C ATOM 188 C ASP A 12 -2.665 1.537 3.384 1.00 0.00 C ATOM 189 O ASP A 12 -3.872 1.307 3.317 1.00 0.00 O ATOM 190 CB ASP A 12 -3.180 3.791 4.341 1.00 0.00 C ATOM 191 CG ASP A 12 -3.152 4.510 5.674 1.00 0.00 C ATOM 192 OD1 ASP A 12 -3.526 3.889 6.691 1.00 0.00 O ATOM 193 OD2 ASP A 12 -2.755 5.694 5.703 1.00 0.00 O ATOM 0 H ASP A 12 -0.976 3.996 3.114 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.950 2.277 5.254 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.004 4.509 3.540 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.172 3.370 4.179 1.00 0.00 H new ATOM 198 N CYS A 13 -1.756 0.830 2.714 1.00 0.00 N ATOM 199 CA CYS A 13 -2.136 -0.281 1.847 1.00 0.00 C ATOM 200 C CYS A 13 -1.530 -1.596 2.339 1.00 0.00 C ATOM 201 O CYS A 13 -0.518 -2.055 1.811 1.00 0.00 O ATOM 202 CB CYS A 13 -1.678 -0.011 0.413 1.00 0.00 C ATOM 203 SG CYS A 13 -2.545 1.368 -0.404 1.00 0.00 S ATOM 0 H CYS A 13 -0.752 1.008 2.756 1.00 0.00 H new ATOM 0 HA CYS A 13 -3.222 -0.369 1.872 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.609 0.200 0.419 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -1.821 -0.916 -0.178 1.00 0.00 H new ATOM 0 HG CYS A 13 -2.084 1.517 -1.610 1.00 0.00 H new ATOM 208 N PRO A 14 -2.139 -2.223 3.363 1.00 0.00 N ATOM 209 CA PRO A 14 -1.657 -3.481 3.922 1.00 0.00 C ATOM 210 C PRO A 14 -2.101 -4.691 3.104 1.00 0.00 C ATOM 211 O PRO A 14 -1.555 -5.785 3.247 1.00 0.00 O ATOM 212 CB PRO A 14 -2.287 -3.526 5.326 1.00 0.00 C ATOM 213 CG PRO A 14 -3.124 -2.288 5.452 1.00 0.00 C ATOM 214 CD PRO A 14 -3.340 -1.764 4.060 1.00 0.00 C ATOM 0 HA PRO A 14 -0.568 -3.524 3.930 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.896 -4.421 5.450 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.517 -3.555 6.097 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.076 -2.513 5.932 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.623 -1.544 6.071 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.249 -2.165 3.611 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.429 -0.678 4.044 1.00 0.00 H new ATOM 222 N ASN A 15 -3.097 -4.487 2.249 1.00 0.00 N ATOM 223 CA ASN A 15 -3.618 -5.560 1.410 1.00 0.00 C ATOM 224 C ASN A 15 -2.601 -5.969 0.350 1.00 0.00 C ATOM 225 O ASN A 15 -2.070 -7.078 0.381 1.00 0.00 O ATOM 226 CB ASN A 15 -4.923 -5.125 0.741 1.00 0.00 C ATOM 227 CG ASN A 15 -5.848 -6.293 0.464 1.00 0.00 C ATOM 228 OD1 ASN A 15 -5.692 -7.001 -0.530 1.00 0.00 O ATOM 229 ND2 ASN A 15 -6.820 -6.502 1.345 1.00 0.00 N ATOM 0 H ASN A 15 -3.560 -3.588 2.119 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.814 -6.421 2.048 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.433 -4.405 1.380 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.696 -4.615 -0.195 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.473 -7.274 1.211 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.913 -5.890 2.156 1.00 0.00 H new ATOM 236 N VAL A 16 -2.337 -5.067 -0.589 1.00 0.00 N ATOM 237 CA VAL A 16 -1.385 -5.338 -1.660 1.00 0.00 C ATOM 238 C VAL A 16 -0.038 -4.678 -1.383 1.00 0.00 C ATOM 239 O VAL A 16 0.078 -3.452 -1.395 1.00 0.00 O ATOM 240 CB VAL A 16 -1.912 -4.851 -3.024 1.00 0.00 C ATOM 241 CG1 VAL A 16 -2.954 -5.815 -3.568 1.00 0.00 C ATOM 242 CG2 VAL A 16 -2.485 -3.445 -2.910 1.00 0.00 C ATOM 0 H VAL A 16 -2.768 -4.143 -0.630 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.256 -6.420 -1.696 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.076 -4.820 -3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.315 -5.455 -4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.507 -6.801 -3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.788 -5.881 -2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.851 -3.121 -3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.307 -3.444 -2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.707 -2.762 -2.569 1.00 0.00 H new ATOM 252 N ILE A 17 0.978 -5.499 -1.135 1.00 0.00 N ATOM 253 CA ILE A 17 2.314 -4.995 -0.859 1.00 0.00 C ATOM 254 C ILE A 17 3.376 -5.965 -1.363 1.00 0.00 C ATOM 255 O ILE A 17 3.235 -7.181 -1.242 1.00 0.00 O ATOM 256 CB ILE A 17 2.521 -4.744 0.648 1.00 0.00 C ATOM 257 CG1 ILE A 17 3.988 -4.428 0.950 1.00 0.00 C ATOM 258 CG2 ILE A 17 2.056 -5.946 1.457 1.00 0.00 C ATOM 259 CD1 ILE A 17 4.244 -4.066 2.397 1.00 0.00 C ATOM 0 H ILE A 17 0.899 -6.516 -1.120 1.00 0.00 H new ATOM 0 HA ILE A 17 2.415 -4.047 -1.387 1.00 0.00 H new ATOM 0 HB ILE A 17 1.921 -3.881 0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.599 -5.292 0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.312 -3.603 0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.209 -5.752 2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.997 -6.123 1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.628 -6.826 1.163 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.304 -3.855 2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.660 -3.184 2.660 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.952 -4.898 3.037 1.00 0.00 H new ATOM 271 N SER A 18 4.441 -5.407 -1.928 1.00 0.00 N ATOM 272 CA SER A 18 5.547 -6.202 -2.460 1.00 0.00 C ATOM 273 C SER A 18 6.468 -5.332 -3.309 1.00 0.00 C ATOM 274 O SER A 18 7.689 -5.376 -3.164 1.00 0.00 O ATOM 275 CB SER A 18 5.020 -7.370 -3.300 1.00 0.00 C ATOM 276 OG SER A 18 6.037 -7.900 -4.134 1.00 0.00 O ATOM 0 H SER A 18 4.564 -4.400 -2.031 1.00 0.00 H new ATOM 0 HA SER A 18 6.111 -6.602 -1.618 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.640 -8.152 -2.643 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.183 -7.033 -3.912 1.00 0.00 H new ATOM 0 HG SER A 18 5.675 -8.645 -4.658 1.00 0.00 H new ATOM 282 N SER A 19 5.871 -4.542 -4.194 1.00 0.00 N ATOM 283 CA SER A 19 6.629 -3.658 -5.069 1.00 0.00 C ATOM 284 C SER A 19 5.692 -2.796 -5.907 1.00 0.00 C ATOM 285 O SER A 19 5.893 -1.589 -6.042 1.00 0.00 O ATOM 286 CB SER A 19 7.547 -4.471 -5.982 1.00 0.00 C ATOM 287 OG SER A 19 6.799 -5.310 -6.844 1.00 0.00 O ATOM 0 H SER A 19 4.860 -4.496 -4.324 1.00 0.00 H new ATOM 0 HA SER A 19 7.239 -3.004 -4.446 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.166 -3.797 -6.574 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.223 -5.076 -5.377 1.00 0.00 H new ATOM 0 HG SER A 19 7.410 -5.817 -7.418 1.00 0.00 H new ATOM 293 N ILE A 20 4.670 -3.429 -6.464 1.00 0.00 N ATOM 294 CA ILE A 20 3.695 -2.742 -7.287 1.00 0.00 C ATOM 295 C ILE A 20 2.280 -3.126 -6.883 1.00 0.00 C ATOM 296 O ILE A 20 2.063 -4.125 -6.198 1.00 0.00 O ATOM 297 CB ILE A 20 3.895 -3.072 -8.776 1.00 0.00 C ATOM 298 CG1 ILE A 20 5.358 -2.879 -9.163 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.991 -2.213 -9.648 1.00 0.00 C ATOM 300 CD1 ILE A 20 5.792 -1.428 -9.210 1.00 0.00 C ATOM 0 H ILE A 20 4.497 -4.428 -6.357 1.00 0.00 H new ATOM 0 HA ILE A 20 3.840 -1.673 -7.134 1.00 0.00 H new ATOM 0 HB ILE A 20 3.624 -4.115 -8.939 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.986 -3.413 -8.450 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.528 -3.331 -10.140 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.151 -2.465 -10.696 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.949 -2.398 -9.385 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.224 -1.160 -9.488 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.843 -1.372 -9.492 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.190 -0.892 -9.944 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.655 -0.975 -8.228 1.00 0.00 H new ATOM 312 N CYS A 21 1.327 -2.325 -7.319 1.00 0.00 N ATOM 313 CA CYS A 21 -0.082 -2.564 -7.019 1.00 0.00 C ATOM 314 C CYS A 21 -0.874 -2.823 -8.295 1.00 0.00 C ATOM 315 O CYS A 21 -1.853 -3.569 -8.291 1.00 0.00 O ATOM 316 CB CYS A 21 -0.680 -1.374 -6.266 1.00 0.00 C ATOM 317 SG CYS A 21 0.387 -0.707 -4.945 1.00 0.00 S ATOM 0 H CYS A 21 1.499 -1.495 -7.887 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.144 -3.450 -6.387 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.895 -0.579 -6.980 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.632 -1.677 -5.830 1.00 0.00 H new ATOM 415 N CYS A 29 0.906 2.602 -9.258 1.00 0.00 N ATOM 416 CA CYS A 29 1.542 2.292 -7.984 1.00 0.00 C ATOM 417 C CYS A 29 3.049 2.116 -8.157 1.00 0.00 C ATOM 418 O CYS A 29 3.502 1.215 -8.863 1.00 0.00 O ATOM 419 CB CYS A 29 0.924 1.022 -7.388 1.00 0.00 C ATOM 420 SG CYS A 29 1.805 0.356 -5.937 1.00 0.00 S ATOM 0 HA CYS A 29 1.374 3.125 -7.302 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.107 1.234 -7.104 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.890 0.253 -8.160 1.00 0.00 H new ATOM 425 N LYS A 30 3.817 2.982 -7.506 1.00 0.00 N ATOM 426 CA LYS A 30 5.273 2.921 -7.584 1.00 0.00 C ATOM 427 C LYS A 30 5.853 2.250 -6.348 1.00 0.00 C ATOM 428 O LYS A 30 6.513 1.215 -6.438 1.00 0.00 O ATOM 429 CB LYS A 30 5.856 4.327 -7.737 1.00 0.00 C ATOM 430 CG LYS A 30 5.754 4.878 -9.150 1.00 0.00 C ATOM 431 CD LYS A 30 4.375 5.456 -9.425 1.00 0.00 C ATOM 432 CE LYS A 30 3.997 5.328 -10.892 1.00 0.00 C ATOM 433 NZ LYS A 30 2.625 5.837 -11.159 1.00 0.00 N ATOM 0 H LYS A 30 3.457 3.734 -6.919 1.00 0.00 H new ATOM 0 HA LYS A 30 5.542 2.328 -8.458 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.339 5.002 -7.055 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.904 4.311 -7.437 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.509 5.651 -9.296 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.967 4.085 -9.867 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.635 4.941 -8.812 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.355 6.506 -9.134 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.713 5.880 -11.501 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.061 4.282 -11.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.406 5.732 -12.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.938 5.294 -10.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.570 6.842 -10.896 1.00 0.00 H new ATOM 447 N ASN A 31 5.599 2.852 -5.197 1.00 0.00 N ATOM 448 CA ASN A 31 6.088 2.325 -3.928 1.00 0.00 C ATOM 449 C ASN A 31 5.625 3.194 -2.765 1.00 0.00 C ATOM 450 O ASN A 31 5.735 4.420 -2.809 1.00 0.00 O ATOM 451 CB ASN A 31 7.616 2.240 -3.939 1.00 0.00 C ATOM 452 CG ASN A 31 8.269 3.592 -4.148 1.00 0.00 C ATOM 453 OD1 ASN A 31 8.084 4.230 -5.185 1.00 0.00 O ATOM 454 ND2 ASN A 31 9.039 4.036 -3.161 1.00 0.00 N ATOM 0 H ASN A 31 5.054 3.710 -5.113 1.00 0.00 H new ATOM 0 HA ASN A 31 5.677 1.324 -3.798 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.960 1.815 -2.996 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.934 1.560 -4.730 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.505 4.939 -3.245 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.164 3.474 -2.319 1.00 0.00 H new ATOM 461 N CYS A 32 5.106 2.551 -1.725 1.00 0.00 N ATOM 462 CA CYS A 32 4.623 3.262 -0.549 1.00 0.00 C ATOM 463 C CYS A 32 5.419 2.864 0.690 1.00 0.00 C ATOM 464 O CYS A 32 6.081 3.696 1.310 1.00 0.00 O ATOM 465 CB CYS A 32 3.138 2.972 -0.329 1.00 0.00 C ATOM 466 SG CYS A 32 2.035 3.741 -1.564 1.00 0.00 S ATOM 0 H CYS A 32 5.009 1.537 -1.673 1.00 0.00 H new ATOM 0 HA CYS A 32 4.757 4.330 -0.718 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.984 1.893 -0.343 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.854 3.322 0.663 1.00 0.00 H new ATOM 0 HG CYS A 32 0.801 3.435 -1.293 1.00 0.00 H new