USER MOD reduce.3.24.130724 H: found=0, std=0, add=140, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 141 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 Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.00155 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.529 K(o=-0.53,f=-2.1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.037 USER MOD ----------------------------------------------------------------- ATOM 108 N LYS A 7 -2.744 -6.449 -6.438 1.00 0.00 N ATOM 109 CA LYS A 7 -4.143 -6.122 -6.199 1.00 0.00 C ATOM 110 C LYS A 7 -4.646 -6.818 -4.942 1.00 0.00 C ATOM 111 O LYS A 7 -4.124 -7.862 -4.553 1.00 0.00 O ATOM 112 CB LYS A 7 -5.015 -6.501 -7.409 1.00 0.00 C ATOM 113 CG LYS A 7 -5.041 -7.992 -7.739 1.00 0.00 C ATOM 114 CD LYS A 7 -3.768 -8.453 -8.440 1.00 0.00 C ATOM 115 CE LYS A 7 -3.568 -7.743 -9.771 1.00 0.00 C ATOM 116 NZ LYS A 7 -2.299 -8.152 -10.432 1.00 0.00 N ATOM 0 HA LYS A 7 -4.217 -5.044 -6.054 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.036 -6.167 -7.222 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.656 -5.956 -8.282 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.174 -8.563 -6.820 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.901 -8.206 -8.374 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.909 -8.265 -7.795 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.813 -9.529 -8.605 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.408 -7.963 -10.430 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.563 -6.665 -9.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.200 -7.646 -11.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.495 -7.919 -9.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.314 -9.177 -10.609 1.00 0.00 H new ATOM 130 N CYS A 8 -5.643 -6.226 -4.307 1.00 0.00 N ATOM 131 CA CYS A 8 -6.204 -6.772 -3.085 1.00 0.00 C ATOM 132 C CYS A 8 -7.705 -6.503 -2.993 1.00 0.00 C ATOM 133 O CYS A 8 -8.185 -5.454 -3.412 1.00 0.00 O ATOM 134 CB CYS A 8 -5.485 -6.164 -1.874 1.00 0.00 C ATOM 135 SG CYS A 8 -5.179 -4.367 -2.007 1.00 0.00 S ATOM 0 H CYS A 8 -6.083 -5.361 -4.621 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.059 -7.852 -3.094 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.079 -6.355 -0.980 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.531 -6.674 -1.738 1.00 0.00 H new ATOM 140 N ARG A 9 -8.436 -7.450 -2.413 1.00 0.00 N ATOM 141 CA ARG A 9 -9.874 -7.302 -2.225 1.00 0.00 C ATOM 142 C ARG A 9 -10.135 -7.017 -0.751 1.00 0.00 C ATOM 143 O ARG A 9 -11.275 -6.917 -0.295 1.00 0.00 O ATOM 144 CB ARG A 9 -10.651 -8.549 -2.698 1.00 0.00 C ATOM 145 CG ARG A 9 -10.549 -9.767 -1.784 1.00 0.00 C ATOM 146 CD ARG A 9 -9.214 -10.483 -1.915 1.00 0.00 C ATOM 147 NE ARG A 9 -8.995 -11.023 -3.256 1.00 0.00 N ATOM 148 CZ ARG A 9 -7.884 -11.663 -3.625 1.00 0.00 C ATOM 149 NH1 ARG A 9 -6.880 -11.817 -2.766 1.00 0.00 N ATOM 150 NH2 ARG A 9 -7.773 -12.146 -4.859 1.00 0.00 N ATOM 0 H ARG A 9 -8.055 -8.330 -2.065 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.232 -6.473 -2.835 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.703 -8.283 -2.805 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.291 -8.827 -3.688 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -10.690 -9.454 -0.750 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.355 -10.462 -2.019 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.409 -9.790 -1.670 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.168 -11.294 -1.189 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.734 -10.904 -3.949 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.957 -11.445 -1.819 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.033 -12.307 -3.054 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.537 -12.027 -5.524 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.923 -12.635 -5.141 1.00 0.00 H new ATOM 164 N ARG A 10 -9.033 -6.886 -0.027 1.00 0.00 N ATOM 165 CA ARG A 10 -9.022 -6.599 1.394 1.00 0.00 C ATOM 166 C ARG A 10 -7.608 -6.239 1.804 1.00 0.00 C ATOM 167 O ARG A 10 -6.652 -6.551 1.099 1.00 0.00 O ATOM 168 CB ARG A 10 -9.536 -7.774 2.230 1.00 0.00 C ATOM 169 CG ARG A 10 -8.909 -9.113 1.878 1.00 0.00 C ATOM 170 CD ARG A 10 -9.558 -10.251 2.646 1.00 0.00 C ATOM 171 NE ARG A 10 -11.001 -10.319 2.405 1.00 0.00 N ATOM 172 CZ ARG A 10 -11.806 -11.232 2.947 1.00 0.00 C ATOM 173 NH1 ARG A 10 -11.308 -12.169 3.750 1.00 0.00 N ATOM 174 NH2 ARG A 10 -13.109 -11.211 2.683 1.00 0.00 N ATOM 0 H ARG A 10 -8.099 -6.979 -0.425 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.698 -5.765 1.582 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.350 -7.564 3.283 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.616 -7.848 2.106 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.008 -9.292 0.807 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.842 -9.086 2.099 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.096 -11.195 2.355 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.374 -10.121 3.712 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.415 -9.624 1.784 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.308 -12.189 3.952 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.926 -12.867 4.164 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.493 -10.496 2.065 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.725 -11.910 3.098 1.00 0.00 H new ATOM 188 N ASP A 11 -7.490 -5.560 2.922 1.00 0.00 N ATOM 189 CA ASP A 11 -6.192 -5.112 3.424 1.00 0.00 C ATOM 190 C ASP A 11 -5.235 -6.284 3.660 1.00 0.00 C ATOM 191 O ASP A 11 -4.043 -6.198 3.377 1.00 0.00 O ATOM 192 CB ASP A 11 -6.381 -4.330 4.722 1.00 0.00 C ATOM 193 CG ASP A 11 -5.250 -3.357 4.983 1.00 0.00 C ATOM 194 OD1 ASP A 11 -4.434 -3.134 4.066 1.00 0.00 O ATOM 195 OD2 ASP A 11 -5.203 -2.793 6.094 1.00 0.00 O ATOM 0 H ASP A 11 -8.280 -5.299 3.513 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.748 -4.469 2.665 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.323 -3.784 4.679 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.455 -5.028 5.556 1.00 0.00 H new ATOM 200 N SER A 12 -5.775 -7.370 4.198 1.00 0.00 N ATOM 201 CA SER A 12 -4.998 -8.567 4.520 1.00 0.00 C ATOM 202 C SER A 12 -4.287 -9.203 3.318 1.00 0.00 C ATOM 203 O SER A 12 -3.367 -9.998 3.503 1.00 0.00 O ATOM 204 CB SER A 12 -5.917 -9.594 5.176 1.00 0.00 C ATOM 205 OG SER A 12 -6.737 -8.976 6.155 1.00 0.00 O ATOM 0 H SER A 12 -6.766 -7.449 4.425 1.00 0.00 H new ATOM 0 HA SER A 12 -4.206 -8.249 5.198 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.541 -10.069 4.418 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.321 -10.381 5.637 1.00 0.00 H new ATOM 0 HG SER A 12 -7.321 -9.648 6.564 1.00 0.00 H new ATOM 211 N ASP A 13 -4.705 -8.872 2.100 1.00 0.00 N ATOM 212 CA ASP A 13 -4.076 -9.444 0.906 1.00 0.00 C ATOM 213 C ASP A 13 -2.649 -8.944 0.748 1.00 0.00 C ATOM 214 O ASP A 13 -1.832 -9.570 0.071 1.00 0.00 O ATOM 215 CB ASP A 13 -4.844 -9.092 -0.368 1.00 0.00 C ATOM 216 CG ASP A 13 -6.235 -9.672 -0.421 1.00 0.00 C ATOM 217 OD1 ASP A 13 -6.388 -10.907 -0.330 1.00 0.00 O ATOM 218 OD2 ASP A 13 -7.188 -8.892 -0.593 1.00 0.00 O ATOM 0 H ASP A 13 -5.466 -8.220 1.911 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.084 -10.525 1.046 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.909 -8.007 -0.453 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.280 -9.446 -1.231 1.00 0.00 H new ATOM 223 N CYS A 14 -2.355 -7.807 1.355 1.00 0.00 N ATOM 224 CA CYS A 14 -1.030 -7.228 1.252 1.00 0.00 C ATOM 225 C CYS A 14 -0.334 -7.259 2.608 1.00 0.00 C ATOM 226 O CYS A 14 -0.976 -7.097 3.645 1.00 0.00 O ATOM 227 CB CYS A 14 -1.123 -5.791 0.726 1.00 0.00 C ATOM 228 SG CYS A 14 0.315 -5.260 -0.267 1.00 0.00 S ATOM 0 H CYS A 14 -3.013 -7.270 1.921 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.440 -7.817 0.549 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.024 -5.696 0.119 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.236 -5.113 1.572 1.00 0.00 H new ATOM 233 N PRO A 15 0.989 -7.491 2.614 1.00 0.00 N ATOM 234 CA PRO A 15 1.788 -7.557 3.842 1.00 0.00 C ATOM 235 C PRO A 15 1.610 -6.336 4.728 1.00 0.00 C ATOM 236 O PRO A 15 1.371 -5.235 4.242 1.00 0.00 O ATOM 237 CB PRO A 15 3.223 -7.627 3.329 1.00 0.00 C ATOM 238 CG PRO A 15 3.093 -8.264 2.000 1.00 0.00 C ATOM 239 CD PRO A 15 1.814 -7.725 1.421 1.00 0.00 C ATOM 0 HA PRO A 15 1.494 -8.403 4.464 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.670 -6.636 3.255 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.857 -8.214 3.993 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.944 -8.022 1.364 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.058 -9.350 2.087 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.980 -6.807 0.858 1.00 0.00 H new ATOM 0 HD3 PRO A 15 1.347 -8.436 0.740 1.00 0.00 H new ATOM 247 N GLY A 16 1.729 -6.567 6.030 1.00 0.00 N ATOM 248 CA GLY A 16 1.573 -5.514 7.033 1.00 0.00 C ATOM 249 C GLY A 16 2.412 -4.269 6.781 1.00 0.00 C ATOM 250 O GLY A 16 2.092 -3.197 7.288 1.00 0.00 O ATOM 0 H GLY A 16 1.936 -7.486 6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.523 -5.225 7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.834 -5.920 8.010 1.00 0.00 H new ATOM 254 N ALA A 17 3.482 -4.408 6.008 1.00 0.00 N ATOM 255 CA ALA A 17 4.351 -3.280 5.700 1.00 0.00 C ATOM 256 C ALA A 17 3.592 -2.210 4.915 1.00 0.00 C ATOM 257 O ALA A 17 3.758 -1.016 5.154 1.00 0.00 O ATOM 258 CB ALA A 17 5.567 -3.752 4.918 1.00 0.00 C ATOM 0 H ALA A 17 3.768 -5.290 5.583 1.00 0.00 H new ATOM 0 HA ALA A 17 4.688 -2.838 6.638 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.209 -2.900 4.694 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.122 -4.478 5.512 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.243 -4.217 3.987 1.00 0.00 H new ATOM 264 N CYS A 18 2.747 -2.654 3.997 1.00 0.00 N ATOM 265 CA CYS A 18 1.947 -1.751 3.184 1.00 0.00 C ATOM 266 C CYS A 18 0.475 -1.888 3.547 1.00 0.00 C ATOM 267 O CYS A 18 0.117 -2.686 4.408 1.00 0.00 O ATOM 268 CB CYS A 18 2.149 -2.068 1.702 1.00 0.00 C ATOM 269 SG CYS A 18 3.881 -2.196 1.200 1.00 0.00 S ATOM 0 H CYS A 18 2.597 -3.643 3.796 1.00 0.00 H new ATOM 0 HA CYS A 18 2.265 -0.726 3.376 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.645 -3.007 1.471 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.666 -1.292 1.107 1.00 0.00 H new ATOM 0 HG CYS A 18 3.946 -2.469 -0.069 1.00 0.00 H new ATOM 275 N ILE A 19 -0.376 -1.122 2.880 1.00 0.00 N ATOM 276 CA ILE A 19 -1.815 -1.184 3.137 1.00 0.00 C ATOM 277 C ILE A 19 -2.594 -1.206 1.831 1.00 0.00 C ATOM 278 O ILE A 19 -2.171 -0.613 0.836 1.00 0.00 O ATOM 279 CB ILE A 19 -2.343 -0.017 4.015 1.00 0.00 C ATOM 280 CG1 ILE A 19 -2.075 1.357 3.371 1.00 0.00 C ATOM 281 CG2 ILE A 19 -1.750 -0.085 5.417 1.00 0.00 C ATOM 282 CD1 ILE A 19 -0.654 1.865 3.526 1.00 0.00 C ATOM 0 H ILE A 19 -0.102 -0.453 2.161 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.971 -2.108 3.693 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.424 -0.131 4.091 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.311 1.297 2.308 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.757 2.087 3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.133 0.742 6.015 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.028 -1.030 5.884 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.664 -0.016 5.356 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.560 2.837 3.042 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.416 1.963 4.585 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.037 1.161 3.062 1.00 0.00 H new ATOM 294 N CYS A 20 -3.723 -1.893 1.833 1.00 0.00 N ATOM 295 CA CYS A 20 -4.561 -1.993 0.646 1.00 0.00 C ATOM 296 C CYS A 20 -5.334 -0.693 0.433 1.00 0.00 C ATOM 297 O CYS A 20 -6.053 -0.229 1.317 1.00 0.00 O ATOM 298 CB CYS A 20 -5.524 -3.177 0.776 1.00 0.00 C ATOM 299 SG CYS A 20 -6.509 -3.525 -0.722 1.00 0.00 S ATOM 0 H CYS A 20 -4.084 -2.393 2.646 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.923 -2.160 -0.222 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -4.951 -4.068 1.033 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -6.204 -2.985 1.606 1.00 0.00 H new ATOM 304 N ARG A 21 -5.173 -0.102 -0.743 1.00 0.00 N ATOM 305 CA ARG A 21 -5.845 1.145 -1.074 1.00 0.00 C ATOM 306 C ARG A 21 -7.284 0.905 -1.511 1.00 0.00 C ATOM 307 O ARG A 21 -7.718 -0.232 -1.685 1.00 0.00 O ATOM 308 CB ARG A 21 -5.092 1.892 -2.172 1.00 0.00 C ATOM 309 CG ARG A 21 -3.688 2.315 -1.771 1.00 0.00 C ATOM 310 CD ARG A 21 -2.893 2.820 -2.963 1.00 0.00 C ATOM 311 NE ARG A 21 -1.676 3.526 -2.551 1.00 0.00 N ATOM 312 CZ ARG A 21 -0.691 3.870 -3.383 1.00 0.00 C ATOM 313 NH1 ARG A 21 -0.741 3.512 -4.662 1.00 0.00 N ATOM 314 NH2 ARG A 21 0.355 4.556 -2.928 1.00 0.00 N ATOM 0 H ARG A 21 -4.579 -0.469 -1.487 1.00 0.00 H new ATOM 0 HA ARG A 21 -5.857 1.755 -0.171 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.032 1.257 -3.056 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.662 2.777 -2.454 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.746 3.097 -1.014 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.169 1.470 -1.318 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.626 1.979 -3.603 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.516 3.488 -3.558 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.576 3.770 -1.566 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.534 2.973 -5.010 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.013 3.776 -5.295 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.404 4.819 -1.944 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.108 4.819 -3.564 1.00 0.00 H new ATOM 328 N GLY A 22 -8.008 1.999 -1.696 1.00 0.00 N ATOM 329 CA GLY A 22 -9.398 1.930 -2.115 1.00 0.00 C ATOM 330 C GLY A 22 -9.565 1.395 -3.524 1.00 0.00 C ATOM 331 O GLY A 22 -10.609 0.848 -3.865 1.00 0.00 O ATOM 0 H GLY A 22 -7.654 2.946 -1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.949 1.294 -1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.840 2.925 -2.055 1.00 0.00 H new ATOM 335 N ASN A 23 -8.534 1.559 -4.346 1.00 0.00 N ATOM 336 CA ASN A 23 -8.575 1.089 -5.729 1.00 0.00 C ATOM 337 C ASN A 23 -8.274 -0.405 -5.830 1.00 0.00 C ATOM 338 O ASN A 23 -8.147 -0.943 -6.928 1.00 0.00 O ATOM 339 CB ASN A 23 -7.605 1.887 -6.613 1.00 0.00 C ATOM 340 CG ASN A 23 -6.280 2.194 -5.936 1.00 0.00 C ATOM 341 OD1 ASN A 23 -5.610 1.312 -5.406 1.00 0.00 O ATOM 342 ND2 ASN A 23 -5.892 3.462 -5.955 1.00 0.00 N ATOM 0 H ASN A 23 -7.660 2.013 -4.081 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.590 1.251 -6.090 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.415 1.326 -7.528 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.080 2.823 -6.906 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.010 3.732 -5.520 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.476 4.167 -6.405 1.00 0.00 H new ATOM 349 N GLY A 24 -8.189 -1.070 -4.683 1.00 0.00 N ATOM 350 CA GLY A 24 -7.933 -2.498 -4.662 1.00 0.00 C ATOM 351 C GLY A 24 -6.507 -2.866 -5.025 1.00 0.00 C ATOM 352 O GLY A 24 -6.269 -3.903 -5.645 1.00 0.00 O ATOM 0 H GLY A 24 -8.294 -0.643 -3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.157 -2.884 -3.667 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.614 -2.991 -5.356 1.00 0.00 H new ATOM 356 N TYR A 25 -5.554 -2.037 -4.619 1.00 0.00 N ATOM 357 CA TYR A 25 -4.142 -2.302 -4.881 1.00 0.00 C ATOM 358 C TYR A 25 -3.310 -1.946 -3.665 1.00 0.00 C ATOM 359 O TYR A 25 -3.730 -1.159 -2.817 1.00 0.00 O ATOM 360 CB TYR A 25 -3.607 -1.530 -6.092 1.00 0.00 C ATOM 361 CG TYR A 25 -4.073 -2.056 -7.436 1.00 0.00 C ATOM 362 CD1 TYR A 25 -5.358 -1.817 -7.903 1.00 0.00 C ATOM 363 CD2 TYR A 25 -3.218 -2.806 -8.233 1.00 0.00 C ATOM 364 CE1 TYR A 25 -5.778 -2.311 -9.125 1.00 0.00 C ATOM 365 CE2 TYR A 25 -3.627 -3.300 -9.455 1.00 0.00 C ATOM 366 CZ TYR A 25 -4.907 -3.052 -9.896 1.00 0.00 C ATOM 367 OH TYR A 25 -5.317 -3.549 -11.112 1.00 0.00 O ATOM 0 H TYR A 25 -5.732 -1.174 -4.106 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.062 -3.366 -5.102 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.908 -0.486 -6.002 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.518 -1.551 -6.067 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.042 -1.236 -7.302 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.214 -3.007 -7.890 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.782 -2.118 -9.473 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.946 -3.878 -10.062 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.582 -4.047 -11.527 1.00 0.00 H new ATOM 377 N CYS A 26 -2.132 -2.531 -3.594 1.00 0.00 N ATOM 378 CA CYS A 26 -1.217 -2.293 -2.483 1.00 0.00 C ATOM 379 C CYS A 26 -0.697 -0.861 -2.488 1.00 0.00 C ATOM 380 O CYS A 26 -0.341 -0.315 -3.533 1.00 0.00 O ATOM 381 CB CYS A 26 -0.036 -3.262 -2.528 1.00 0.00 C ATOM 382 SG CYS A 26 -0.452 -4.992 -2.131 1.00 0.00 S ATOM 0 H CYS A 26 -1.778 -3.181 -4.296 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.780 -2.458 -1.564 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.406 -3.229 -3.524 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.726 -2.917 -1.829 1.00 0.00 H new ATOM 387 N GLY A 27 -0.652 -0.265 -1.310 1.00 0.00 N ATOM 388 CA GLY A 27 -0.172 1.087 -1.177 1.00 0.00 C ATOM 389 C GLY A 27 0.919 1.195 -0.139 1.00 0.00 C ATOM 390 O GLY A 27 0.824 0.587 0.931 1.00 0.00 O ATOM 0 H GLY A 27 -0.943 -0.701 -0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.205 1.435 -2.139 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.000 1.741 -0.904 1.00 0.00 H new ATOM 394 N SER A 28 1.952 1.959 -0.471 1.00 0.00 N ATOM 395 CA SER A 28 3.094 2.165 0.407 1.00 0.00 C ATOM 396 C SER A 28 2.663 2.748 1.750 1.00 0.00 C ATOM 397 O SER A 28 1.793 3.621 1.808 1.00 0.00 O ATOM 398 CB SER A 28 4.081 3.109 -0.275 1.00 0.00 C ATOM 399 OG SER A 28 4.182 2.812 -1.660 1.00 0.00 O ATOM 0 H SER A 28 2.020 2.454 -1.360 1.00 0.00 H new ATOM 0 HA SER A 28 3.566 1.201 0.598 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.757 4.141 -0.142 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.061 3.020 0.194 1.00 0.00 H new ATOM 0 HG SER A 28 4.817 3.428 -2.081 1.00 0.00 H new