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= 0.0256 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.558 K(o=-0.56,f=-3.7) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N LYS A 7 -3.145 -6.400 -6.840 1.00 0.00 N ATOM 109 CA LYS A 7 -4.563 -6.188 -6.589 1.00 0.00 C ATOM 110 C LYS A 7 -4.995 -6.950 -5.342 1.00 0.00 C ATOM 111 O LYS A 7 -4.597 -8.099 -5.136 1.00 0.00 O ATOM 112 CB LYS A 7 -5.422 -6.598 -7.798 1.00 0.00 C ATOM 113 CG LYS A 7 -5.270 -8.053 -8.230 1.00 0.00 C ATOM 114 CD LYS A 7 -4.044 -8.258 -9.110 1.00 0.00 C ATOM 115 CE LYS A 7 -3.927 -9.699 -9.577 1.00 0.00 C ATOM 116 NZ LYS A 7 -2.754 -9.897 -10.475 1.00 0.00 N ATOM 0 HA LYS A 7 -4.718 -5.122 -6.425 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.470 -6.412 -7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.167 -5.955 -8.641 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.194 -8.688 -7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.162 -8.366 -8.772 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.102 -7.598 -9.975 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.147 -7.980 -8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.837 -10.355 -8.711 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.838 -9.986 -10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.708 -10.893 -10.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.852 -9.290 -11.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.882 -9.647 -9.967 1.00 0.00 H new ATOM 130 N CYS A 8 -5.793 -6.302 -4.516 1.00 0.00 N ATOM 131 CA CYS A 8 -6.272 -6.894 -3.281 1.00 0.00 C ATOM 132 C CYS A 8 -7.771 -6.672 -3.115 1.00 0.00 C ATOM 133 O CYS A 8 -8.305 -5.645 -3.530 1.00 0.00 O ATOM 134 CB CYS A 8 -5.508 -6.304 -2.088 1.00 0.00 C ATOM 135 SG CYS A 8 -5.074 -4.539 -2.268 1.00 0.00 S ATOM 0 H CYS A 8 -6.127 -5.353 -4.681 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.094 -7.969 -3.321 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.112 -6.427 -1.189 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.593 -6.877 -1.939 1.00 0.00 H new ATOM 140 N ARG A 9 -8.444 -7.632 -2.491 1.00 0.00 N ATOM 141 CA ARG A 9 -9.876 -7.521 -2.251 1.00 0.00 C ATOM 142 C ARG A 9 -10.097 -7.176 -0.783 1.00 0.00 C ATOM 143 O ARG A 9 -11.226 -7.038 -0.310 1.00 0.00 O ATOM 144 CB ARG A 9 -10.626 -8.812 -2.635 1.00 0.00 C ATOM 145 CG ARG A 9 -10.476 -9.969 -1.649 1.00 0.00 C ATOM 146 CD ARG A 9 -9.131 -10.668 -1.773 1.00 0.00 C ATOM 147 NE ARG A 9 -8.953 -11.320 -3.070 1.00 0.00 N ATOM 148 CZ ARG A 9 -7.851 -11.991 -3.417 1.00 0.00 C ATOM 149 NH1 ARG A 9 -6.820 -12.069 -2.580 1.00 0.00 N ATOM 150 NH2 ARG A 9 -7.778 -12.579 -4.607 1.00 0.00 N ATOM 0 H ARG A 9 -8.022 -8.493 -2.143 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.281 -6.730 -2.883 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.686 -8.580 -2.740 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.274 -9.141 -3.613 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -10.595 -9.594 -0.633 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.274 -10.692 -1.817 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.333 -9.941 -1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.038 -11.411 -0.981 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.713 -11.259 -3.748 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.868 -11.615 -1.668 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.981 -12.583 -2.850 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.563 -12.518 -5.255 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.937 -13.091 -4.872 1.00 0.00 H new ATOM 164 N ARG A 10 -8.980 -7.036 -0.082 1.00 0.00 N ATOM 165 CA ARG A 10 -8.952 -6.696 1.327 1.00 0.00 C ATOM 166 C ARG A 10 -7.539 -6.308 1.714 1.00 0.00 C ATOM 167 O ARG A 10 -6.584 -6.635 1.012 1.00 0.00 O ATOM 168 CB ARG A 10 -9.440 -7.846 2.211 1.00 0.00 C ATOM 169 CG ARG A 10 -8.803 -9.190 1.895 1.00 0.00 C ATOM 170 CD ARG A 10 -9.376 -10.296 2.762 1.00 0.00 C ATOM 171 NE ARG A 10 -10.831 -10.400 2.625 1.00 0.00 N ATOM 172 CZ ARG A 10 -11.580 -11.290 3.276 1.00 0.00 C ATOM 173 NH1 ARG A 10 -11.012 -12.168 4.097 1.00 0.00 N ATOM 174 NH2 ARG A 10 -12.898 -11.303 3.103 1.00 0.00 N ATOM 0 H ARG A 10 -8.052 -7.159 -0.488 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.633 -5.860 1.486 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.240 -7.598 3.253 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.521 -7.936 2.107 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.962 -9.431 0.844 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.726 -9.128 2.048 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.917 -11.246 2.489 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.122 -10.108 3.805 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.300 -9.751 1.993 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.001 -12.162 4.230 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.588 -12.848 4.594 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.336 -10.632 2.472 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.471 -11.984 3.601 1.00 0.00 H new ATOM 188 N ASP A 11 -7.418 -5.597 2.813 1.00 0.00 N ATOM 189 CA ASP A 11 -6.119 -5.131 3.293 1.00 0.00 C ATOM 190 C ASP A 11 -5.183 -6.305 3.592 1.00 0.00 C ATOM 191 O ASP A 11 -3.982 -6.238 3.348 1.00 0.00 O ATOM 192 CB ASP A 11 -6.305 -4.284 4.551 1.00 0.00 C ATOM 193 CG ASP A 11 -5.159 -3.320 4.776 1.00 0.00 C ATOM 194 OD1 ASP A 11 -4.318 -3.177 3.866 1.00 0.00 O ATOM 195 OD2 ASP A 11 -5.122 -2.687 5.848 1.00 0.00 O ATOM 0 H ASP A 11 -8.205 -5.323 3.401 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.665 -4.526 2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.237 -3.724 4.473 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.399 -4.940 5.416 1.00 0.00 H new ATOM 200 N SER A 12 -5.759 -7.373 4.133 1.00 0.00 N ATOM 201 CA SER A 12 -5.016 -8.577 4.505 1.00 0.00 C ATOM 202 C SER A 12 -4.242 -9.210 3.341 1.00 0.00 C ATOM 203 O SER A 12 -3.300 -9.968 3.570 1.00 0.00 O ATOM 204 CB SER A 12 -5.988 -9.597 5.090 1.00 0.00 C ATOM 205 OG SER A 12 -6.900 -8.968 5.978 1.00 0.00 O ATOM 0 H SER A 12 -6.759 -7.431 4.328 1.00 0.00 H new ATOM 0 HA SER A 12 -4.269 -8.276 5.239 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.536 -10.088 4.286 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.434 -10.373 5.619 1.00 0.00 H new ATOM 0 HG SER A 12 -7.516 -9.637 6.342 1.00 0.00 H new ATOM 211 N ASP A 13 -4.637 -8.915 2.105 1.00 0.00 N ATOM 212 CA ASP A 13 -3.960 -9.481 0.935 1.00 0.00 C ATOM 213 C ASP A 13 -2.546 -8.933 0.801 1.00 0.00 C ATOM 214 O ASP A 13 -1.709 -9.504 0.097 1.00 0.00 O ATOM 215 CB ASP A 13 -4.714 -9.173 -0.360 1.00 0.00 C ATOM 216 CG ASP A 13 -6.112 -9.744 -0.405 1.00 0.00 C ATOM 217 OD1 ASP A 13 -6.278 -10.969 -0.238 1.00 0.00 O ATOM 218 OD2 ASP A 13 -7.056 -8.968 -0.643 1.00 0.00 O ATOM 0 H ASP A 13 -5.415 -8.293 1.886 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.930 -10.560 1.090 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.769 -8.092 -0.488 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.145 -9.565 -1.203 1.00 0.00 H new ATOM 223 N CYS A 14 -2.286 -7.810 1.450 1.00 0.00 N ATOM 224 CA CYS A 14 -0.982 -7.185 1.366 1.00 0.00 C ATOM 225 C CYS A 14 -0.279 -7.226 2.721 1.00 0.00 C ATOM 226 O CYS A 14 -0.928 -7.147 3.764 1.00 0.00 O ATOM 227 CB CYS A 14 -1.132 -5.742 0.877 1.00 0.00 C ATOM 228 SG CYS A 14 0.268 -5.150 -0.129 1.00 0.00 S ATOM 0 H CYS A 14 -2.959 -7.317 2.037 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.369 -7.737 0.653 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.047 -5.661 0.290 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.248 -5.087 1.740 1.00 0.00 H new ATOM 233 N PRO A 15 1.059 -7.370 2.722 1.00 0.00 N ATOM 234 CA PRO A 15 1.864 -7.431 3.949 1.00 0.00 C ATOM 235 C PRO A 15 1.621 -6.247 4.871 1.00 0.00 C ATOM 236 O PRO A 15 1.301 -5.156 4.420 1.00 0.00 O ATOM 237 CB PRO A 15 3.300 -7.410 3.435 1.00 0.00 C ATOM 238 CG PRO A 15 3.202 -8.000 2.081 1.00 0.00 C ATOM 239 CD PRO A 15 1.900 -7.500 1.522 1.00 0.00 C ATOM 0 HA PRO A 15 1.618 -8.310 4.545 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.697 -6.396 3.401 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.963 -7.991 4.077 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.041 -7.693 1.457 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.219 -9.089 2.125 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.020 -6.547 1.007 1.00 0.00 H new ATOM 0 HD3 PRO A 15 1.473 -8.199 0.803 1.00 0.00 H new ATOM 247 N GLY A 16 1.777 -6.501 6.163 1.00 0.00 N ATOM 248 CA GLY A 16 1.566 -5.483 7.191 1.00 0.00 C ATOM 249 C GLY A 16 2.344 -4.191 6.982 1.00 0.00 C ATOM 250 O GLY A 16 1.966 -3.152 7.517 1.00 0.00 O ATOM 0 H GLY A 16 2.052 -7.412 6.530 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.503 -5.247 7.235 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.840 -5.903 8.159 1.00 0.00 H new ATOM 254 N ALA A 17 3.433 -4.253 6.225 1.00 0.00 N ATOM 255 CA ALA A 17 4.250 -3.071 5.965 1.00 0.00 C ATOM 256 C ALA A 17 3.490 -2.063 5.104 1.00 0.00 C ATOM 257 O ALA A 17 3.509 -0.859 5.367 1.00 0.00 O ATOM 258 CB ALA A 17 5.555 -3.473 5.296 1.00 0.00 C ATOM 0 H ALA A 17 3.771 -5.107 5.781 1.00 0.00 H new ATOM 0 HA ALA A 17 4.479 -2.593 6.917 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.156 -2.584 5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.105 -4.151 5.949 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.341 -3.974 4.352 1.00 0.00 H new ATOM 264 N CYS A 18 2.807 -2.572 4.089 1.00 0.00 N ATOM 265 CA CYS A 18 2.021 -1.739 3.194 1.00 0.00 C ATOM 266 C CYS A 18 0.540 -1.894 3.519 1.00 0.00 C ATOM 267 O CYS A 18 0.173 -2.654 4.408 1.00 0.00 O ATOM 268 CB CYS A 18 2.275 -2.144 1.741 1.00 0.00 C ATOM 269 SG CYS A 18 4.020 -2.339 1.309 1.00 0.00 S ATOM 0 H CYS A 18 2.782 -3.567 3.865 1.00 0.00 H new ATOM 0 HA CYS A 18 2.315 -0.698 3.328 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.758 -3.083 1.544 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.834 -1.393 1.086 1.00 0.00 H new ATOM 0 HG CYS A 18 4.122 -2.684 0.060 1.00 0.00 H new ATOM 275 N ILE A 19 -0.306 -1.186 2.787 1.00 0.00 N ATOM 276 CA ILE A 19 -1.748 -1.273 2.998 1.00 0.00 C ATOM 277 C ILE A 19 -2.485 -1.275 1.667 1.00 0.00 C ATOM 278 O ILE A 19 -2.042 -0.650 0.697 1.00 0.00 O ATOM 279 CB ILE A 19 -2.320 -0.131 3.883 1.00 0.00 C ATOM 280 CG1 ILE A 19 -2.007 1.262 3.301 1.00 0.00 C ATOM 281 CG2 ILE A 19 -1.815 -0.247 5.316 1.00 0.00 C ATOM 282 CD1 ILE A 19 -0.607 1.770 3.594 1.00 0.00 C ATOM 0 H ILE A 19 -0.024 -0.547 2.044 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.908 -2.211 3.530 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.404 -0.242 3.891 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.149 1.230 2.221 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.729 1.977 3.696 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.230 0.564 5.915 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.127 -1.204 5.735 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.727 -0.184 5.325 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.476 2.755 3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.463 1.839 4.672 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.125 1.081 3.174 1.00 0.00 H new ATOM 294 N CYS A 20 -3.605 -1.973 1.626 1.00 0.00 N ATOM 295 CA CYS A 20 -4.420 -2.049 0.422 1.00 0.00 C ATOM 296 C CYS A 20 -5.220 -0.758 0.280 1.00 0.00 C ATOM 297 O CYS A 20 -5.988 -0.392 1.169 1.00 0.00 O ATOM 298 CB CYS A 20 -5.351 -3.266 0.490 1.00 0.00 C ATOM 299 SG CYS A 20 -6.341 -3.560 -1.017 1.00 0.00 S ATOM 0 H CYS A 20 -3.975 -2.500 2.417 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.779 -2.167 -0.451 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -4.751 -4.153 0.692 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -6.029 -3.140 1.334 1.00 0.00 H new ATOM 304 N ARG A 21 -5.020 -0.050 -0.824 1.00 0.00 N ATOM 305 CA ARG A 21 -5.716 1.210 -1.043 1.00 0.00 C ATOM 306 C ARG A 21 -7.139 0.987 -1.544 1.00 0.00 C ATOM 307 O ARG A 21 -7.526 -0.129 -1.884 1.00 0.00 O ATOM 308 CB ARG A 21 -4.949 2.108 -2.015 1.00 0.00 C ATOM 309 CG ARG A 21 -3.500 2.352 -1.613 1.00 0.00 C ATOM 310 CD ARG A 21 -2.898 3.518 -2.384 1.00 0.00 C ATOM 311 NE ARG A 21 -1.471 3.718 -2.095 1.00 0.00 N ATOM 312 CZ ARG A 21 -0.972 4.085 -0.905 1.00 0.00 C ATOM 313 NH1 ARG A 21 -1.776 4.308 0.130 1.00 0.00 N ATOM 314 NH2 ARG A 21 0.341 4.235 -0.761 1.00 0.00 N ATOM 0 H ARG A 21 -4.387 -0.324 -1.576 1.00 0.00 H new ATOM 0 HA ARG A 21 -5.771 1.714 -0.078 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -4.970 1.656 -3.007 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.462 3.067 -2.091 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.447 2.555 -0.543 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.914 1.452 -1.796 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.027 3.346 -3.453 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.444 4.429 -2.140 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.810 3.566 -2.857 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.785 4.201 0.025 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.384 4.587 1.030 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.963 4.071 -1.553 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.727 4.514 0.141 1.00 0.00 H new ATOM 328 N GLY A 22 -7.908 2.072 -1.577 1.00 0.00 N ATOM 329 CA GLY A 22 -9.297 2.022 -2.017 1.00 0.00 C ATOM 330 C GLY A 22 -9.469 1.519 -3.439 1.00 0.00 C ATOM 331 O GLY A 22 -10.516 0.980 -3.785 1.00 0.00 O ATOM 0 H GLY A 22 -7.589 3.001 -1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.860 1.377 -1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.730 3.019 -1.939 1.00 0.00 H new ATOM 335 N ASN A 23 -8.444 1.697 -4.263 1.00 0.00 N ATOM 336 CA ASN A 23 -8.493 1.252 -5.655 1.00 0.00 C ATOM 337 C ASN A 23 -8.365 -0.266 -5.758 1.00 0.00 C ATOM 338 O ASN A 23 -8.523 -0.835 -6.837 1.00 0.00 O ATOM 339 CB ASN A 23 -7.404 1.933 -6.497 1.00 0.00 C ATOM 340 CG ASN A 23 -6.055 2.000 -5.803 1.00 0.00 C ATOM 341 OD1 ASN A 23 -5.577 1.024 -5.231 1.00 0.00 O ATOM 342 ND2 ASN A 23 -5.424 3.164 -5.859 1.00 0.00 N ATOM 0 H ASN A 23 -7.568 2.146 -3.994 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.466 1.542 -6.051 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.293 1.394 -7.438 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.727 2.944 -6.745 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.510 3.271 -5.418 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.852 3.953 -6.343 1.00 0.00 H new ATOM 349 N GLY A 24 -8.087 -0.913 -4.634 1.00 0.00 N ATOM 350 CA GLY A 24 -7.951 -2.354 -4.616 1.00 0.00 C ATOM 351 C GLY A 24 -6.561 -2.811 -5.005 1.00 0.00 C ATOM 352 O GLY A 24 -6.396 -3.855 -5.634 1.00 0.00 O ATOM 0 H GLY A 24 -7.953 -0.461 -3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.186 -2.725 -3.618 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.678 -2.793 -5.299 1.00 0.00 H new ATOM 356 N TYR A 25 -5.556 -2.037 -4.615 1.00 0.00 N ATOM 357 CA TYR A 25 -4.170 -2.375 -4.904 1.00 0.00 C ATOM 358 C TYR A 25 -3.282 -2.011 -3.728 1.00 0.00 C ATOM 359 O TYR A 25 -3.604 -1.121 -2.936 1.00 0.00 O ATOM 360 CB TYR A 25 -3.636 -1.670 -6.155 1.00 0.00 C ATOM 361 CG TYR A 25 -4.347 -2.028 -7.443 1.00 0.00 C ATOM 362 CD1 TYR A 25 -5.530 -1.402 -7.812 1.00 0.00 C ATOM 363 CD2 TYR A 25 -3.821 -2.990 -8.297 1.00 0.00 C ATOM 364 CE1 TYR A 25 -6.172 -1.727 -8.991 1.00 0.00 C ATOM 365 CE2 TYR A 25 -4.456 -3.320 -9.478 1.00 0.00 C ATOM 366 CZ TYR A 25 -5.632 -2.686 -9.819 1.00 0.00 C ATOM 367 OH TYR A 25 -6.269 -3.013 -10.994 1.00 0.00 O ATOM 0 H TYR A 25 -5.677 -1.168 -4.096 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.149 -3.450 -5.085 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.708 -0.593 -6.005 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.578 -1.907 -6.264 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.955 -0.648 -7.166 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.900 -3.488 -8.032 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.093 -1.232 -9.262 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.034 -4.070 -10.131 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.757 -3.705 -11.462 1.00 0.00 H new ATOM 377 N CYS A 26 -2.169 -2.708 -3.633 1.00 0.00 N ATOM 378 CA CYS A 26 -1.201 -2.490 -2.568 1.00 0.00 C ATOM 379 C CYS A 26 -0.602 -1.095 -2.631 1.00 0.00 C ATOM 380 O CYS A 26 -0.256 -0.598 -3.704 1.00 0.00 O ATOM 381 CB CYS A 26 -0.063 -3.508 -2.649 1.00 0.00 C ATOM 382 SG CYS A 26 -0.466 -5.170 -2.024 1.00 0.00 S ATOM 0 H CYS A 26 -1.906 -3.443 -4.290 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.740 -2.607 -1.628 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.253 -3.595 -3.689 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.789 -3.123 -2.088 1.00 0.00 H new ATOM 387 N GLY A 27 -0.467 -0.475 -1.476 1.00 0.00 N ATOM 388 CA GLY A 27 0.109 0.842 -1.407 1.00 0.00 C ATOM 389 C GLY A 27 1.045 0.967 -0.230 1.00 0.00 C ATOM 390 O GLY A 27 0.670 0.657 0.899 1.00 0.00 O ATOM 0 H GLY A 27 -0.749 -0.866 -0.577 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.650 1.054 -2.329 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.684 1.585 -1.325 1.00 0.00 H new ATOM 394 N SER A 28 2.264 1.402 -0.499 1.00 0.00 N ATOM 395 CA SER A 28 3.274 1.561 0.533 1.00 0.00 C ATOM 396 C SER A 28 2.856 2.621 1.551 1.00 0.00 C ATOM 397 O SER A 28 2.328 3.677 1.182 1.00 0.00 O ATOM 398 CB SER A 28 4.598 1.953 -0.119 1.00 0.00 C ATOM 399 OG SER A 28 4.853 1.152 -1.260 1.00 0.00 O ATOM 0 H SER A 28 2.581 1.654 -1.435 1.00 0.00 H new ATOM 0 HA SER A 28 3.388 0.615 1.063 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.570 3.004 -0.406 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.410 1.840 0.599 1.00 0.00 H new ATOM 0 HG SER A 28 5.705 1.420 -1.664 1.00 0.00 H new