USER MOD reduce.3.24.130724 H: found=0, std=0, add=140, rem=0, adj=5 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 Set 1.1: A 18 CYS SG : rot -7:sc= 0.00171 USER MOD Set 1.2: A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -134:sc= 1.2 (180deg=-0.904) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0176 USER MOD Single : A 23 ASN : amide:sc= -0.938 K(o=-0.94,f=-5.7!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N LYS A 7 -2.295 -6.528 -5.842 1.00 0.00 N ATOM 109 CA LYS A 7 -3.728 -6.272 -5.902 1.00 0.00 C ATOM 110 C LYS A 7 -4.386 -6.864 -4.663 1.00 0.00 C ATOM 111 O LYS A 7 -3.875 -7.840 -4.101 1.00 0.00 O ATOM 112 CB LYS A 7 -4.340 -6.899 -7.167 1.00 0.00 C ATOM 113 CG LYS A 7 -4.519 -8.416 -7.090 1.00 0.00 C ATOM 114 CD LYS A 7 -3.187 -9.155 -7.070 1.00 0.00 C ATOM 115 CE LYS A 7 -3.315 -10.526 -6.420 1.00 0.00 C ATOM 116 NZ LYS A 7 -3.632 -10.427 -4.964 1.00 0.00 N ATOM 0 HA LYS A 7 -3.898 -5.196 -5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.310 -6.439 -7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.705 -6.662 -8.020 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.085 -8.668 -6.193 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.107 -8.754 -7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.818 -9.268 -8.089 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.450 -8.562 -6.528 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.097 -11.094 -6.924 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.384 -11.078 -6.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.020 -11.077 -4.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.469 -9.453 -4.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.628 -10.683 -4.807 1.00 0.00 H new ATOM 130 N CYS A 8 -5.488 -6.285 -4.227 1.00 0.00 N ATOM 131 CA CYS A 8 -6.166 -6.773 -3.038 1.00 0.00 C ATOM 132 C CYS A 8 -7.660 -6.470 -3.068 1.00 0.00 C ATOM 133 O CYS A 8 -8.086 -5.436 -3.573 1.00 0.00 O ATOM 134 CB CYS A 8 -5.529 -6.137 -1.799 1.00 0.00 C ATOM 135 SG CYS A 8 -5.303 -4.333 -1.927 1.00 0.00 S ATOM 0 H CYS A 8 -5.932 -5.482 -4.673 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.055 -7.857 -3.005 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.151 -6.354 -0.931 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.560 -6.603 -1.621 1.00 0.00 H new ATOM 140 N ARG A 9 -8.446 -7.370 -2.487 1.00 0.00 N ATOM 141 CA ARG A 9 -9.890 -7.189 -2.397 1.00 0.00 C ATOM 142 C ARG A 9 -10.232 -6.936 -0.936 1.00 0.00 C ATOM 143 O ARG A 9 -11.391 -6.962 -0.519 1.00 0.00 O ATOM 144 CB ARG A 9 -10.667 -8.404 -2.940 1.00 0.00 C ATOM 145 CG ARG A 9 -10.320 -9.730 -2.273 1.00 0.00 C ATOM 146 CD ARG A 9 -9.089 -10.365 -2.901 1.00 0.00 C ATOM 147 NE ARG A 9 -8.527 -11.425 -2.066 1.00 0.00 N ATOM 148 CZ ARG A 9 -9.006 -12.660 -1.970 1.00 0.00 C ATOM 149 NH1 ARG A 9 -10.050 -13.042 -2.701 1.00 0.00 N ATOM 150 NH2 ARG A 9 -8.423 -13.517 -1.141 1.00 0.00 N ATOM 0 H ARG A 9 -8.105 -8.236 -2.070 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.186 -6.342 -3.016 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.734 -8.220 -2.818 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.478 -8.490 -4.010 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -10.145 -9.568 -1.209 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.166 -10.413 -2.357 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.351 -10.774 -3.877 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.333 -9.598 -3.070 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.701 -11.198 -1.513 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.491 -12.384 -3.343 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.409 -13.993 -2.619 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.618 -13.224 -0.588 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.780 -14.469 -1.057 1.00 0.00 H new ATOM 164 N ARG A 10 -9.167 -6.697 -0.180 1.00 0.00 N ATOM 165 CA ARG A 10 -9.215 -6.423 1.243 1.00 0.00 C ATOM 166 C ARG A 10 -7.801 -6.200 1.737 1.00 0.00 C ATOM 167 O ARG A 10 -6.842 -6.587 1.071 1.00 0.00 O ATOM 168 CB ARG A 10 -9.870 -7.559 2.033 1.00 0.00 C ATOM 169 CG ARG A 10 -9.344 -8.943 1.689 1.00 0.00 C ATOM 170 CD ARG A 10 -10.132 -10.024 2.407 1.00 0.00 C ATOM 171 NE ARG A 10 -11.562 -9.950 2.097 1.00 0.00 N ATOM 172 CZ ARG A 10 -12.484 -10.749 2.632 1.00 0.00 C ATOM 173 NH1 ARG A 10 -12.128 -11.688 3.506 1.00 0.00 N ATOM 174 NH2 ARG A 10 -13.762 -10.607 2.297 1.00 0.00 N ATOM 0 H ARG A 10 -8.219 -6.689 -0.556 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.826 -5.534 1.401 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.719 -7.380 3.098 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.945 -7.537 1.855 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.404 -9.100 0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.291 -9.013 1.963 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.748 -11.004 2.122 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.987 -9.926 3.483 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.871 -9.243 1.430 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.148 -11.797 3.767 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.835 -12.299 3.915 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.037 -9.886 1.630 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.468 -11.219 2.707 1.00 0.00 H new ATOM 188 N ASP A 11 -7.680 -5.569 2.887 1.00 0.00 N ATOM 189 CA ASP A 11 -6.371 -5.270 3.472 1.00 0.00 C ATOM 190 C ASP A 11 -5.576 -6.550 3.735 1.00 0.00 C ATOM 191 O ASP A 11 -4.350 -6.546 3.754 1.00 0.00 O ATOM 192 CB ASP A 11 -6.540 -4.486 4.772 1.00 0.00 C ATOM 193 CG ASP A 11 -5.403 -3.510 5.008 1.00 0.00 C ATOM 194 OD1 ASP A 11 -4.603 -3.291 4.071 1.00 0.00 O ATOM 195 OD2 ASP A 11 -5.334 -2.940 6.113 1.00 0.00 O ATOM 0 H ASP A 11 -8.472 -5.248 3.444 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.815 -4.664 2.756 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.484 -3.941 4.745 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.598 -5.182 5.609 1.00 0.00 H new ATOM 200 N SER A 12 -6.299 -7.643 3.942 1.00 0.00 N ATOM 201 CA SER A 12 -5.700 -8.946 4.215 1.00 0.00 C ATOM 202 C SER A 12 -4.770 -9.418 3.089 1.00 0.00 C ATOM 203 O SER A 12 -3.848 -10.193 3.332 1.00 0.00 O ATOM 204 CB SER A 12 -6.811 -9.970 4.432 1.00 0.00 C ATOM 205 OG SER A 12 -7.822 -9.443 5.278 1.00 0.00 O ATOM 0 H SER A 12 -7.319 -7.653 3.926 1.00 0.00 H new ATOM 0 HA SER A 12 -5.087 -8.847 5.111 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.244 -10.253 3.472 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.396 -10.876 4.874 1.00 0.00 H new ATOM 0 HG SER A 12 -8.526 -10.113 5.404 1.00 0.00 H new ATOM 211 N ASP A 13 -5.016 -8.962 1.861 1.00 0.00 N ATOM 212 CA ASP A 13 -4.189 -9.362 0.719 1.00 0.00 C ATOM 213 C ASP A 13 -2.955 -8.481 0.608 1.00 0.00 C ATOM 214 O ASP A 13 -2.307 -8.441 -0.441 1.00 0.00 O ATOM 215 CB ASP A 13 -4.959 -9.248 -0.600 1.00 0.00 C ATOM 216 CG ASP A 13 -6.315 -9.913 -0.588 1.00 0.00 C ATOM 217 OD1 ASP A 13 -6.387 -11.152 -0.461 1.00 0.00 O ATOM 218 OD2 ASP A 13 -7.322 -9.193 -0.749 1.00 0.00 O ATOM 0 H ASP A 13 -5.775 -8.320 1.631 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.903 -10.399 0.893 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.087 -8.193 -0.842 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.359 -9.688 -1.397 1.00 0.00 H new ATOM 223 N CYS A 14 -2.645 -7.755 1.665 1.00 0.00 N ATOM 224 CA CYS A 14 -1.507 -6.859 1.643 1.00 0.00 C ATOM 225 C CYS A 14 -0.567 -7.132 2.814 1.00 0.00 C ATOM 226 O CYS A 14 -1.007 -7.429 3.924 1.00 0.00 O ATOM 227 CB CYS A 14 -1.991 -5.409 1.678 1.00 0.00 C ATOM 228 SG CYS A 14 -0.898 -4.249 0.802 1.00 0.00 S ATOM 0 H CYS A 14 -3.162 -7.768 2.544 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.951 -7.032 0.722 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.987 -5.358 1.238 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.084 -5.092 2.717 1.00 0.00 H new ATOM 233 N PRO A 15 0.753 -7.035 2.575 1.00 0.00 N ATOM 234 CA PRO A 15 1.766 -7.261 3.605 1.00 0.00 C ATOM 235 C PRO A 15 1.787 -6.137 4.636 1.00 0.00 C ATOM 236 O PRO A 15 1.364 -5.022 4.350 1.00 0.00 O ATOM 237 CB PRO A 15 3.075 -7.289 2.817 1.00 0.00 C ATOM 238 CG PRO A 15 2.803 -6.448 1.622 1.00 0.00 C ATOM 239 CD PRO A 15 1.357 -6.684 1.278 1.00 0.00 C ATOM 0 HA PRO A 15 1.581 -8.173 4.173 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.902 -6.890 3.405 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.347 -8.306 2.534 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.988 -5.395 1.834 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.453 -6.725 0.792 1.00 0.00 H new ATOM 0 HD2 PRO A 15 0.896 -5.795 0.847 1.00 0.00 H new ATOM 0 HD3 PRO A 15 1.243 -7.487 0.550 1.00 0.00 H new ATOM 247 N GLY A 16 2.277 -6.446 5.830 1.00 0.00 N ATOM 248 CA GLY A 16 2.342 -5.468 6.910 1.00 0.00 C ATOM 249 C GLY A 16 3.064 -4.181 6.537 1.00 0.00 C ATOM 250 O GLY A 16 2.763 -3.119 7.080 1.00 0.00 O ATOM 0 H GLY A 16 2.636 -7.368 6.076 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.328 -5.225 7.228 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.844 -5.920 7.766 1.00 0.00 H new ATOM 254 N ALA A 17 4.020 -4.273 5.619 1.00 0.00 N ATOM 255 CA ALA A 17 4.784 -3.104 5.187 1.00 0.00 C ATOM 256 C ALA A 17 3.997 -2.241 4.198 1.00 0.00 C ATOM 257 O ALA A 17 4.535 -1.299 3.616 1.00 0.00 O ATOM 258 CB ALA A 17 6.104 -3.542 4.570 1.00 0.00 C ATOM 0 H ALA A 17 4.286 -5.144 5.159 1.00 0.00 H new ATOM 0 HA ALA A 17 4.981 -2.494 6.068 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.666 -2.664 4.251 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.684 -4.096 5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.909 -4.180 3.708 1.00 0.00 H new ATOM 264 N CYS A 18 2.725 -2.558 4.012 1.00 0.00 N ATOM 265 CA CYS A 18 1.871 -1.813 3.101 1.00 0.00 C ATOM 266 C CYS A 18 0.423 -1.904 3.560 1.00 0.00 C ATOM 267 O CYS A 18 0.123 -2.560 4.552 1.00 0.00 O ATOM 268 CB CYS A 18 1.980 -2.371 1.676 1.00 0.00 C ATOM 269 SG CYS A 18 3.661 -2.425 1.008 1.00 0.00 S ATOM 0 H CYS A 18 2.259 -3.333 4.484 1.00 0.00 H new ATOM 0 HA CYS A 18 2.197 -0.773 3.102 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.567 -3.379 1.663 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.361 -1.764 1.015 1.00 0.00 H new ATOM 0 HG CYS A 18 4.472 -1.820 1.824 1.00 0.00 H new ATOM 275 N ILE A 19 -0.466 -1.262 2.819 1.00 0.00 N ATOM 276 CA ILE A 19 -1.895 -1.293 3.130 1.00 0.00 C ATOM 277 C ILE A 19 -2.696 -1.322 1.838 1.00 0.00 C ATOM 278 O ILE A 19 -2.258 -0.781 0.810 1.00 0.00 O ATOM 279 CB ILE A 19 -2.398 -0.100 4.001 1.00 0.00 C ATOM 280 CG1 ILE A 19 -2.504 1.206 3.192 1.00 0.00 C ATOM 281 CG2 ILE A 19 -1.515 0.102 5.227 1.00 0.00 C ATOM 282 CD1 ILE A 19 -1.178 1.827 2.812 1.00 0.00 C ATOM 0 H ILE A 19 -0.227 -0.710 1.995 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.045 -2.195 3.723 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.402 -0.360 4.337 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.070 1.008 2.282 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.076 1.931 3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.892 0.940 5.813 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.527 -0.801 5.837 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.494 0.312 4.909 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.354 2.741 2.245 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.614 2.062 3.715 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.609 1.125 2.202 1.00 0.00 H new ATOM 294 N CYS A 20 -3.852 -1.955 1.882 1.00 0.00 N ATOM 295 CA CYS A 20 -4.710 -2.055 0.714 1.00 0.00 C ATOM 296 C CYS A 20 -5.477 -0.754 0.511 1.00 0.00 C ATOM 297 O CYS A 20 -6.229 -0.317 1.382 1.00 0.00 O ATOM 298 CB CYS A 20 -5.682 -3.224 0.866 1.00 0.00 C ATOM 299 SG CYS A 20 -6.665 -3.576 -0.627 1.00 0.00 S ATOM 0 H CYS A 20 -4.221 -2.410 2.717 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.086 -2.234 -0.162 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -5.119 -4.117 1.136 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -6.360 -3.013 1.693 1.00 0.00 H new ATOM 304 N ARG A 21 -5.279 -0.129 -0.641 1.00 0.00 N ATOM 305 CA ARG A 21 -5.955 1.121 -0.950 1.00 0.00 C ATOM 306 C ARG A 21 -7.370 0.859 -1.452 1.00 0.00 C ATOM 307 O ARG A 21 -7.741 -0.280 -1.733 1.00 0.00 O ATOM 308 CB ARG A 21 -5.170 1.934 -1.980 1.00 0.00 C ATOM 309 CG ARG A 21 -3.697 2.111 -1.637 1.00 0.00 C ATOM 310 CD ARG A 21 -3.500 2.739 -0.261 1.00 0.00 C ATOM 311 NE ARG A 21 -4.066 4.091 -0.163 1.00 0.00 N ATOM 312 CZ ARG A 21 -3.593 5.162 -0.813 1.00 0.00 C ATOM 313 NH1 ARG A 21 -2.528 5.056 -1.603 1.00 0.00 N ATOM 314 NH2 ARG A 21 -4.183 6.344 -0.660 1.00 0.00 N ATOM 0 H ARG A 21 -4.657 -0.467 -1.375 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.013 1.703 -0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.250 1.445 -2.951 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.630 2.917 -2.079 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.199 1.142 -1.667 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.222 2.737 -2.392 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.962 2.102 0.493 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.434 2.779 -0.035 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.876 4.223 0.443 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.065 4.154 -1.717 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.174 5.877 -2.095 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.994 6.434 -0.048 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.824 7.161 -1.154 1.00 0.00 H new ATOM 328 N GLY A 22 -8.151 1.925 -1.559 1.00 0.00 N ATOM 329 CA GLY A 22 -9.527 1.819 -2.018 1.00 0.00 C ATOM 330 C GLY A 22 -9.660 1.297 -3.437 1.00 0.00 C ATOM 331 O GLY A 22 -10.682 0.718 -3.793 1.00 0.00 O ATOM 0 H GLY A 22 -7.854 2.874 -1.334 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.075 1.159 -1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.998 2.800 -1.956 1.00 0.00 H new ATOM 335 N ASN A 23 -8.635 1.510 -4.255 1.00 0.00 N ATOM 336 CA ASN A 23 -8.664 1.061 -5.646 1.00 0.00 C ATOM 337 C ASN A 23 -8.297 -0.420 -5.774 1.00 0.00 C ATOM 338 O ASN A 23 -8.170 -0.936 -6.881 1.00 0.00 O ATOM 339 CB ASN A 23 -7.735 1.919 -6.515 1.00 0.00 C ATOM 340 CG ASN A 23 -6.278 1.836 -6.100 1.00 0.00 C ATOM 341 OD1 ASN A 23 -5.926 2.126 -4.956 1.00 0.00 O ATOM 342 ND2 ASN A 23 -5.420 1.454 -7.030 1.00 0.00 N ATOM 0 H ASN A 23 -7.776 1.988 -3.982 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.687 1.180 -6.003 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.828 1.604 -7.554 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.061 2.958 -6.466 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.426 1.391 -6.812 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.752 1.222 -7.966 1.00 0.00 H new ATOM 349 N GLY A 24 -8.164 -1.098 -4.638 1.00 0.00 N ATOM 350 CA GLY A 24 -7.852 -2.518 -4.638 1.00 0.00 C ATOM 351 C GLY A 24 -6.399 -2.839 -4.953 1.00 0.00 C ATOM 352 O GLY A 24 -6.099 -3.898 -5.509 1.00 0.00 O ATOM 0 H GLY A 24 -8.267 -0.686 -3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.100 -2.933 -3.661 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.489 -3.018 -5.368 1.00 0.00 H new ATOM 356 N TYR A 25 -5.491 -1.950 -4.573 1.00 0.00 N ATOM 357 CA TYR A 25 -4.065 -2.176 -4.794 1.00 0.00 C ATOM 358 C TYR A 25 -3.286 -1.841 -3.536 1.00 0.00 C ATOM 359 O TYR A 25 -3.722 -1.037 -2.715 1.00 0.00 O ATOM 360 CB TYR A 25 -3.496 -1.354 -5.955 1.00 0.00 C ATOM 361 CG TYR A 25 -3.981 -1.758 -7.337 1.00 0.00 C ATOM 362 CD1 TYR A 25 -5.319 -1.663 -7.695 1.00 0.00 C ATOM 363 CD2 TYR A 25 -3.086 -2.238 -8.285 1.00 0.00 C ATOM 364 CE1 TYR A 25 -5.751 -2.033 -8.954 1.00 0.00 C ATOM 365 CE2 TYR A 25 -3.511 -2.610 -9.546 1.00 0.00 C ATOM 366 CZ TYR A 25 -4.845 -2.506 -9.875 1.00 0.00 C ATOM 367 OH TYR A 25 -5.272 -2.874 -11.129 1.00 0.00 O ATOM 0 H TYR A 25 -5.713 -1.068 -4.112 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.959 -3.230 -5.051 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.746 -0.306 -5.793 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.409 -1.430 -5.933 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.035 -1.293 -6.976 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.039 -2.322 -8.032 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.796 -1.951 -9.214 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.801 -2.981 -10.270 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.507 -3.185 -11.657 1.00 0.00 H new ATOM 377 N CYS A 26 -2.139 -2.464 -3.397 1.00 0.00 N ATOM 378 CA CYS A 26 -1.285 -2.251 -2.235 1.00 0.00 C ATOM 379 C CYS A 26 -0.478 -0.966 -2.332 1.00 0.00 C ATOM 380 O CYS A 26 0.122 -0.660 -3.370 1.00 0.00 O ATOM 381 CB CYS A 26 -0.332 -3.425 -2.037 1.00 0.00 C ATOM 382 SG CYS A 26 -1.053 -4.827 -1.139 1.00 0.00 S ATOM 0 H CYS A 26 -1.767 -3.129 -4.076 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.953 -2.168 -1.378 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.009 -3.770 -3.013 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.548 -3.076 -1.497 1.00 0.00 H new ATOM 387 N GLY A 27 -0.444 -0.243 -1.226 1.00 0.00 N ATOM 388 CA GLY A 27 0.310 0.988 -1.140 1.00 0.00 C ATOM 389 C GLY A 27 1.305 0.920 -0.004 1.00 0.00 C ATOM 390 O GLY A 27 0.986 0.382 1.056 1.00 0.00 O ATOM 0 H GLY A 27 -0.936 -0.494 -0.369 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.833 1.168 -2.079 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.369 1.827 -0.987 1.00 0.00 H new ATOM 394 N SER A 28 2.509 1.431 -0.230 1.00 0.00 N ATOM 395 CA SER A 28 3.575 1.407 0.772 1.00 0.00 C ATOM 396 C SER A 28 3.305 2.359 1.942 1.00 0.00 C ATOM 397 O SER A 28 4.054 3.308 2.165 1.00 0.00 O ATOM 398 CB SER A 28 4.907 1.764 0.113 1.00 0.00 C ATOM 399 OG SER A 28 5.208 0.873 -0.946 1.00 0.00 O ATOM 0 H SER A 28 2.777 1.873 -1.109 1.00 0.00 H new ATOM 0 HA SER A 28 3.614 0.397 1.181 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.866 2.785 -0.267 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.704 1.733 0.856 1.00 0.00 H new ATOM 0 HG SER A 28 6.064 1.124 -1.352 1.00 0.00 H new