USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 382 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 22 TYR OH : rot 180:sc=-0.00439 USER MOD Single : A 24 LYS NZ :NH3+ -173:sc= -0.992 (180deg=-1.08) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 20:sc= 0.686! USER MOD Single : A 29 SER OG : rot 180:sc= 0.0185 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -0.175 F(o=-1.4,f=-0.17) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 56 GLN : amide:sc= -0.695 K(o=-0.7,f=-3.3!) USER MOD Single : A 57 ASN : amide:sc= -0.253 K(o=-0.25,f=-1.1) USER MOD Single : A 58 ASN : amide:sc= -2.49 K(o=-2.5,f=-4.6!) USER MOD Single : A 59 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.77) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.0839 X(o=-0.084,f=-0.084) USER MOD Single : A 64 LYS NZ :NH3+ 164:sc= -0.3 (180deg=-0.884) USER MOD Single : A 66 SER OG : rot 180:sc= -0.585 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 144 N GLY A 13 -12.517 1.136 -2.233 1.00 0.00 N ATOM 145 CA GLY A 13 -11.071 1.229 -2.164 1.00 0.00 C ATOM 146 C GLY A 13 -10.486 2.032 -3.309 1.00 0.00 C ATOM 147 O GLY A 13 -11.015 3.081 -3.675 1.00 0.00 O ATOM 0 HA2 GLY A 13 -10.784 1.689 -1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.645 0.226 -2.173 1.00 0.00 H new ATOM 151 N CYS A 14 -9.390 1.538 -3.876 1.00 0.00 N ATOM 152 CA CYS A 14 -8.730 2.217 -4.985 1.00 0.00 C ATOM 153 C CYS A 14 -9.199 1.653 -6.324 1.00 0.00 C ATOM 154 O CYS A 14 -9.974 2.286 -7.039 1.00 0.00 O ATOM 155 CB CYS A 14 -7.211 2.078 -4.865 1.00 0.00 C ATOM 156 SG CYS A 14 -6.445 3.269 -3.719 1.00 0.00 S ATOM 0 H CYS A 14 -8.940 0.670 -3.586 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.996 3.273 -4.942 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.974 1.067 -4.534 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.766 2.202 -5.852 1.00 0.00 H new ATOM 161 N GLY A 15 -8.722 0.457 -6.655 1.00 0.00 N ATOM 162 CA GLY A 15 -9.103 -0.173 -7.906 1.00 0.00 C ATOM 163 C GLY A 15 -8.189 -1.324 -8.277 1.00 0.00 C ATOM 164 O GLY A 15 -8.470 -2.478 -7.951 1.00 0.00 O ATOM 0 H GLY A 15 -8.079 -0.087 -6.080 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.128 -0.537 -7.829 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.088 0.570 -8.703 1.00 0.00 H new ATOM 168 N ASP A 16 -7.095 -1.012 -8.962 1.00 0.00 N ATOM 169 CA ASP A 16 -6.137 -2.030 -9.378 1.00 0.00 C ATOM 170 C ASP A 16 -4.729 -1.448 -9.467 1.00 0.00 C ATOM 171 O ASP A 16 -4.239 -1.107 -10.543 1.00 0.00 O ATOM 172 CB ASP A 16 -6.544 -2.621 -10.729 1.00 0.00 C ATOM 173 CG ASP A 16 -6.962 -1.556 -11.724 1.00 0.00 C ATOM 174 OD1 ASP A 16 -8.025 -0.936 -11.516 1.00 0.00 O ATOM 175 OD2 ASP A 16 -6.227 -1.345 -12.711 1.00 0.00 O ATOM 0 H ASP A 16 -6.849 -0.062 -9.241 1.00 0.00 H new ATOM 0 HA ASP A 16 -6.137 -2.821 -8.629 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.710 -3.190 -11.139 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.367 -3.321 -10.583 1.00 0.00 H new ATOM 180 N PRO A 17 -4.064 -1.331 -8.308 1.00 0.00 N ATOM 181 CA PRO A 17 -2.703 -0.790 -8.228 1.00 0.00 C ATOM 182 C PRO A 17 -1.669 -1.728 -8.841 1.00 0.00 C ATOM 183 O PRO A 17 -0.486 -1.399 -8.917 1.00 0.00 O ATOM 184 CB PRO A 17 -2.468 -0.643 -6.723 1.00 0.00 C ATOM 185 CG PRO A 17 -3.376 -1.645 -6.098 1.00 0.00 C ATOM 186 CD PRO A 17 -4.587 -1.718 -6.987 1.00 0.00 C ATOM 0 HA PRO A 17 -2.602 0.143 -8.782 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.427 -0.836 -6.464 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.699 0.367 -6.383 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.890 -2.617 -6.020 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.652 -1.345 -5.087 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.015 -2.720 -7.002 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.373 -1.041 -6.652 1.00 0.00 H new ATOM 194 N GLY A 18 -2.124 -2.899 -9.277 1.00 0.00 N ATOM 195 CA GLY A 18 -1.225 -3.867 -9.877 1.00 0.00 C ATOM 196 C GLY A 18 -0.066 -4.223 -8.968 1.00 0.00 C ATOM 197 O GLY A 18 0.117 -3.612 -7.915 1.00 0.00 O ATOM 0 H GLY A 18 -3.099 -3.194 -9.225 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.781 -4.772 -10.122 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.838 -3.467 -10.814 1.00 0.00 H new ATOM 201 N ILE A 19 0.719 -5.216 -9.374 1.00 0.00 N ATOM 202 CA ILE A 19 1.865 -5.653 -8.587 1.00 0.00 C ATOM 203 C ILE A 19 3.059 -5.966 -9.483 1.00 0.00 C ATOM 204 O ILE A 19 2.926 -6.566 -10.550 1.00 0.00 O ATOM 205 CB ILE A 19 1.529 -6.899 -7.746 1.00 0.00 C ATOM 206 CG1 ILE A 19 0.392 -6.590 -6.770 1.00 0.00 C ATOM 207 CG2 ILE A 19 2.762 -7.379 -6.995 1.00 0.00 C ATOM 208 CD1 ILE A 19 -0.293 -7.826 -6.229 1.00 0.00 C ATOM 0 H ILE A 19 0.582 -5.732 -10.243 1.00 0.00 H new ATOM 0 HA ILE A 19 2.120 -4.831 -7.918 1.00 0.00 H new ATOM 0 HB ILE A 19 1.202 -7.694 -8.416 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.787 -6.009 -5.937 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.347 -5.965 -7.272 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.509 -8.260 -6.405 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.546 -7.633 -7.708 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.115 -6.589 -6.333 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.088 -7.531 -5.544 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.718 -8.397 -7.054 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.433 -8.442 -5.698 1.00 0.00 H new ATOM 220 N PRO A 20 4.256 -5.552 -9.040 1.00 0.00 N ATOM 221 CA PRO A 20 5.498 -5.779 -9.785 1.00 0.00 C ATOM 222 C PRO A 20 5.903 -7.249 -9.802 1.00 0.00 C ATOM 223 O PRO A 20 5.761 -7.953 -8.804 1.00 0.00 O ATOM 224 CB PRO A 20 6.529 -4.949 -9.017 1.00 0.00 C ATOM 225 CG PRO A 20 5.985 -4.855 -7.633 1.00 0.00 C ATOM 226 CD PRO A 20 4.488 -4.831 -7.777 1.00 0.00 C ATOM 0 HA PRO A 20 5.401 -5.499 -10.834 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.508 -5.428 -9.026 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.653 -3.962 -9.462 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.305 -5.704 -7.029 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.343 -3.955 -7.133 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.996 -5.322 -6.938 1.00 0.00 H new ATOM 0 HD3 PRO A 20 4.105 -3.812 -7.820 1.00 0.00 H new ATOM 234 N ALA A 21 6.409 -7.705 -10.943 1.00 0.00 N ATOM 235 CA ALA A 21 6.838 -9.090 -11.089 1.00 0.00 C ATOM 236 C ALA A 21 8.275 -9.273 -10.615 1.00 0.00 C ATOM 237 O ALA A 21 8.954 -10.222 -11.009 1.00 0.00 O ATOM 238 CB ALA A 21 6.697 -9.537 -12.537 1.00 0.00 C ATOM 0 H ALA A 21 6.532 -7.135 -11.780 1.00 0.00 H new ATOM 0 HA ALA A 21 6.195 -9.710 -10.464 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.021 -10.573 -12.631 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.654 -9.454 -12.844 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.314 -8.905 -13.175 1.00 0.00 H new ATOM 244 N TYR A 22 8.735 -8.359 -9.768 1.00 0.00 N ATOM 245 CA TYR A 22 10.093 -8.418 -9.242 1.00 0.00 C ATOM 246 C TYR A 22 10.095 -8.290 -7.722 1.00 0.00 C ATOM 247 O TYR A 22 11.151 -8.250 -7.092 1.00 0.00 O ATOM 248 CB TYR A 22 10.950 -7.312 -9.859 1.00 0.00 C ATOM 249 CG TYR A 22 10.175 -6.053 -10.179 1.00 0.00 C ATOM 250 CD1 TYR A 22 9.351 -5.986 -11.295 1.00 0.00 C ATOM 251 CD2 TYR A 22 10.268 -4.931 -9.365 1.00 0.00 C ATOM 252 CE1 TYR A 22 8.642 -4.838 -11.591 1.00 0.00 C ATOM 253 CE2 TYR A 22 9.562 -3.779 -9.652 1.00 0.00 C ATOM 254 CZ TYR A 22 8.750 -3.737 -10.767 1.00 0.00 C ATOM 255 OH TYR A 22 8.046 -2.592 -11.057 1.00 0.00 O ATOM 0 H TYR A 22 8.187 -7.568 -9.431 1.00 0.00 H new ATOM 0 HA TYR A 22 10.516 -9.387 -9.507 1.00 0.00 H new ATOM 0 HB2 TYR A 22 11.760 -7.066 -9.172 1.00 0.00 H new ATOM 0 HB3 TYR A 22 11.410 -7.688 -10.773 1.00 0.00 H new ATOM 0 HD1 TYR A 22 9.263 -6.846 -11.942 1.00 0.00 H new ATOM 0 HD2 TYR A 22 10.904 -4.960 -8.492 1.00 0.00 H new ATOM 0 HE1 TYR A 22 8.006 -4.803 -12.463 1.00 0.00 H new ATOM 0 HE2 TYR A 22 9.645 -2.916 -9.008 1.00 0.00 H new ATOM 0 HH TYR A 22 8.233 -1.912 -10.377 1.00 0.00 H new ATOM 265 N GLY A 23 8.902 -8.226 -7.138 1.00 0.00 N ATOM 266 CA GLY A 23 8.787 -8.103 -5.696 1.00 0.00 C ATOM 267 C GLY A 23 7.667 -8.952 -5.130 1.00 0.00 C ATOM 268 O GLY A 23 7.325 -9.996 -5.687 1.00 0.00 O ATOM 0 H GLY A 23 8.013 -8.257 -7.638 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.730 -8.395 -5.233 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.614 -7.059 -5.436 1.00 0.00 H new ATOM 272 N LYS A 24 7.092 -8.506 -4.018 1.00 0.00 N ATOM 273 CA LYS A 24 6.004 -9.231 -3.374 1.00 0.00 C ATOM 274 C LYS A 24 4.889 -8.278 -2.955 1.00 0.00 C ATOM 275 O LYS A 24 5.052 -7.059 -2.998 1.00 0.00 O ATOM 276 CB LYS A 24 6.523 -9.994 -2.153 1.00 0.00 C ATOM 277 CG LYS A 24 7.685 -10.921 -2.465 1.00 0.00 C ATOM 278 CD LYS A 24 8.107 -11.717 -1.241 1.00 0.00 C ATOM 279 CE LYS A 24 8.814 -13.006 -1.631 1.00 0.00 C ATOM 280 NZ LYS A 24 10.142 -12.744 -2.253 1.00 0.00 N ATOM 0 H LYS A 24 7.362 -7.644 -3.544 1.00 0.00 H new ATOM 0 HA LYS A 24 5.599 -9.943 -4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.834 -9.278 -1.393 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.708 -10.578 -1.726 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.401 -11.605 -3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.530 -10.337 -2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.768 -11.111 -0.622 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.230 -11.950 -0.637 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.944 -13.631 -0.747 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.190 -13.566 -2.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.539 -13.636 -2.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.030 -12.073 -3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.785 -12.340 -1.542 1.00 0.00 H new ATOM 294 N ARG A 25 3.756 -8.843 -2.548 1.00 0.00 N ATOM 295 CA ARG A 25 2.615 -8.043 -2.121 1.00 0.00 C ATOM 296 C ARG A 25 1.854 -8.739 -0.995 1.00 0.00 C ATOM 297 O ARG A 25 1.417 -9.881 -1.140 1.00 0.00 O ATOM 298 CB ARG A 25 1.676 -7.783 -3.300 1.00 0.00 C ATOM 299 CG ARG A 25 0.442 -6.976 -2.931 1.00 0.00 C ATOM 300 CD ARG A 25 0.812 -5.581 -2.452 1.00 0.00 C ATOM 301 NE ARG A 25 1.054 -5.544 -1.012 1.00 0.00 N ATOM 302 CZ ARG A 25 0.091 -5.628 -0.102 1.00 0.00 C ATOM 303 NH1 ARG A 25 -1.174 -5.756 -0.481 1.00 0.00 N ATOM 304 NH2 ARG A 25 0.391 -5.586 1.190 1.00 0.00 N ATOM 0 H ARG A 25 3.605 -9.851 -2.505 1.00 0.00 H new ATOM 0 HA ARG A 25 2.991 -7.090 -1.748 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.224 -7.256 -4.080 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.362 -8.738 -3.721 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.218 -6.902 -3.796 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.113 -7.495 -2.150 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.704 -5.241 -2.979 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.010 -4.887 -2.703 1.00 0.00 H new ATOM 0 HE ARG A 25 2.016 -5.448 -0.688 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.408 -5.790 -1.473 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.912 -5.820 0.220 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.363 -5.489 1.485 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.350 -5.651 1.888 1.00 0.00 H new ATOM 318 N THR A 26 1.699 -8.043 0.127 1.00 0.00 N ATOM 319 CA THR A 26 0.994 -8.593 1.277 1.00 0.00 C ATOM 320 C THR A 26 -0.485 -8.226 1.242 1.00 0.00 C ATOM 321 O THR A 26 -0.979 -7.514 2.116 1.00 0.00 O ATOM 322 CB THR A 26 1.604 -8.096 2.601 1.00 0.00 C ATOM 323 OG1 THR A 26 3.033 -8.120 2.521 1.00 0.00 O ATOM 324 CG2 THR A 26 1.142 -8.957 3.767 1.00 0.00 C ATOM 0 H THR A 26 2.053 -7.096 0.263 1.00 0.00 H new ATOM 0 HA THR A 26 1.098 -9.677 1.223 1.00 0.00 H new ATOM 0 HB THR A 26 1.267 -7.073 2.769 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.413 -7.801 3.366 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.586 -8.587 4.691 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.056 -8.913 3.843 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.453 -9.989 3.603 1.00 0.00 H new ATOM 332 N GLY A 27 -1.189 -8.717 0.226 1.00 0.00 N ATOM 333 CA GLY A 27 -2.605 -8.429 0.098 1.00 0.00 C ATOM 334 C GLY A 27 -3.037 -8.278 -1.348 1.00 0.00 C ATOM 335 O GLY A 27 -2.281 -7.776 -2.179 1.00 0.00 O ATOM 0 H GLY A 27 -0.804 -9.309 -0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.179 -9.230 0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.837 -7.513 0.641 1.00 0.00 H new ATOM 339 N SER A 28 -4.256 -8.716 -1.648 1.00 0.00 N ATOM 340 CA SER A 28 -4.785 -8.632 -3.004 1.00 0.00 C ATOM 341 C SER A 28 -6.061 -7.797 -3.039 1.00 0.00 C ATOM 342 O SER A 28 -6.598 -7.507 -4.108 1.00 0.00 O ATOM 343 CB SER A 28 -5.064 -10.032 -3.553 1.00 0.00 C ATOM 344 OG SER A 28 -6.114 -10.008 -4.504 1.00 0.00 O ATOM 0 H SER A 28 -4.895 -9.132 -0.971 1.00 0.00 H new ATOM 0 HA SER A 28 -4.036 -8.146 -3.630 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.161 -10.432 -4.014 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.327 -10.701 -2.734 1.00 0.00 H new ATOM 0 HG SER A 28 -6.227 -9.096 -4.844 1.00 0.00 H new ATOM 350 N SER A 29 -6.542 -7.413 -1.860 1.00 0.00 N ATOM 351 CA SER A 29 -7.757 -6.615 -1.753 1.00 0.00 C ATOM 352 C SER A 29 -7.422 -5.143 -1.532 1.00 0.00 C ATOM 353 O SER A 29 -6.463 -4.810 -0.836 1.00 0.00 O ATOM 354 CB SER A 29 -8.632 -7.128 -0.608 1.00 0.00 C ATOM 355 OG SER A 29 -7.839 -7.654 0.443 1.00 0.00 O ATOM 0 H SER A 29 -6.108 -7.642 -0.966 1.00 0.00 H new ATOM 0 HA SER A 29 -8.307 -6.709 -2.690 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.253 -6.316 -0.228 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.307 -7.899 -0.979 1.00 0.00 H new ATOM 0 HG SER A 29 -8.421 -7.974 1.164 1.00 0.00 H new ATOM 361 N PHE A 30 -8.221 -4.264 -2.129 1.00 0.00 N ATOM 362 CA PHE A 30 -8.010 -2.827 -1.999 1.00 0.00 C ATOM 363 C PHE A 30 -9.291 -2.128 -1.554 1.00 0.00 C ATOM 364 O PHE A 30 -10.230 -1.970 -2.336 1.00 0.00 O ATOM 365 CB PHE A 30 -7.528 -2.239 -3.326 1.00 0.00 C ATOM 366 CG PHE A 30 -6.726 -3.202 -4.154 1.00 0.00 C ATOM 367 CD1 PHE A 30 -5.516 -3.693 -3.690 1.00 0.00 C ATOM 368 CD2 PHE A 30 -7.182 -3.617 -5.394 1.00 0.00 C ATOM 369 CE1 PHE A 30 -4.776 -4.580 -4.449 1.00 0.00 C ATOM 370 CE2 PHE A 30 -6.446 -4.504 -6.157 1.00 0.00 C ATOM 371 CZ PHE A 30 -5.241 -4.985 -5.684 1.00 0.00 C ATOM 0 H PHE A 30 -9.020 -4.522 -2.707 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.246 -2.664 -1.239 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.392 -1.909 -3.903 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.923 -1.355 -3.124 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.147 -3.379 -2.725 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.123 -3.243 -5.769 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.835 -4.956 -4.076 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.813 -4.821 -7.122 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.663 -5.677 -6.279 1.00 0.00 H new ATOM 381 N LEU A 31 -9.323 -1.710 -0.294 1.00 0.00 N ATOM 382 CA LEU A 31 -10.489 -1.027 0.257 1.00 0.00 C ATOM 383 C LEU A 31 -10.148 0.410 0.639 1.00 0.00 C ATOM 384 O LEU A 31 -8.978 0.795 0.670 1.00 0.00 O ATOM 385 CB LEU A 31 -11.016 -1.781 1.479 1.00 0.00 C ATOM 386 CG LEU A 31 -11.952 -2.955 1.192 1.00 0.00 C ATOM 387 CD1 LEU A 31 -12.176 -3.780 2.449 1.00 0.00 C ATOM 388 CD2 LEU A 31 -13.278 -2.456 0.636 1.00 0.00 C ATOM 0 H LEU A 31 -8.555 -1.832 0.366 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.263 -1.005 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.163 -2.153 2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.541 -1.072 2.120 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.483 -3.593 0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.845 -4.611 2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.221 -4.168 2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.623 -3.153 3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.932 -3.305 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -13.752 -1.795 1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.102 -1.910 -0.290 1.00 0.00 H new ATOM 400 N HIS A 32 -11.177 1.199 0.932 1.00 0.00 N ATOM 401 CA HIS A 32 -10.986 2.593 1.316 1.00 0.00 C ATOM 402 C HIS A 32 -10.169 2.697 2.600 1.00 0.00 C ATOM 403 O HIS A 32 -10.502 2.079 3.610 1.00 0.00 O ATOM 404 CB HIS A 32 -12.338 3.283 1.501 1.00 0.00 C ATOM 405 CG HIS A 32 -12.975 3.707 0.213 1.00 0.00 C ATOM 406 ND1 HIS A 32 -12.448 3.879 -1.021 1.00 0.00 N flip ATOM 407 CD2 HIS A 32 -14.316 4.011 0.102 1.00 0.00 C flip ATOM 408 CE1 HIS A 32 -13.469 4.278 -1.848 1.00 0.00 C flip ATOM 409 NE2 HIS A 32 -14.585 4.350 -1.146 1.00 0.00 N flip ATOM 0 H HIS A 32 -12.151 0.897 0.911 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.438 3.092 0.517 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -13.013 2.607 2.025 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -12.206 4.158 2.137 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -15.033 3.977 0.909 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -13.375 4.497 -2.901 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -15.500 4.621 -1.506 1.00 0.00 H new ATOM 417 N GLY A 33 -9.096 3.481 2.552 1.00 0.00 N ATOM 418 CA GLY A 33 -8.248 3.650 3.717 1.00 0.00 C ATOM 419 C GLY A 33 -7.329 2.465 3.942 1.00 0.00 C ATOM 420 O GLY A 33 -6.616 2.406 4.943 1.00 0.00 O ATOM 0 H GLY A 33 -8.799 4.002 1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.649 4.553 3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.872 3.795 4.599 1.00 0.00 H new ATOM 424 N ASP A 34 -7.346 1.520 3.008 1.00 0.00 N ATOM 425 CA ASP A 34 -6.508 0.331 3.109 1.00 0.00 C ATOM 426 C ASP A 34 -5.104 0.609 2.582 1.00 0.00 C ATOM 427 O ASP A 34 -4.925 1.368 1.629 1.00 0.00 O ATOM 428 CB ASP A 34 -7.136 -0.829 2.335 1.00 0.00 C ATOM 429 CG ASP A 34 -6.717 -2.181 2.877 1.00 0.00 C ATOM 430 OD1 ASP A 34 -5.515 -2.358 3.168 1.00 0.00 O ATOM 431 OD2 ASP A 34 -7.591 -3.063 3.011 1.00 0.00 O ATOM 0 H ASP A 34 -7.931 1.554 2.173 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.434 0.058 4.162 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.222 -0.745 2.377 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.852 -0.758 1.285 1.00 0.00 H new ATOM 436 N THR A 35 -4.108 -0.009 3.210 1.00 0.00 N ATOM 437 CA THR A 35 -2.720 0.174 2.807 1.00 0.00 C ATOM 438 C THR A 35 -2.105 -1.141 2.342 1.00 0.00 C ATOM 439 O THR A 35 -2.355 -2.196 2.926 1.00 0.00 O ATOM 440 CB THR A 35 -1.871 0.746 3.958 1.00 0.00 C ATOM 441 OG1 THR A 35 -2.387 0.298 5.216 1.00 0.00 O ATOM 442 CG2 THR A 35 -1.862 2.266 3.920 1.00 0.00 C ATOM 0 H THR A 35 -4.238 -0.641 4.000 1.00 0.00 H new ATOM 0 HA THR A 35 -2.722 0.884 1.980 1.00 0.00 H new ATOM 0 HB THR A 35 -0.848 0.390 3.838 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.841 0.664 5.943 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.256 2.647 4.742 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.442 2.604 2.973 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.882 2.638 4.018 1.00 0.00 H new ATOM 450 N LEU A 36 -1.299 -1.072 1.288 1.00 0.00 N ATOM 451 CA LEU A 36 -0.647 -2.258 0.744 1.00 0.00 C ATOM 452 C LEU A 36 0.869 -2.155 0.876 1.00 0.00 C ATOM 453 O LEU A 36 1.502 -1.305 0.248 1.00 0.00 O ATOM 454 CB LEU A 36 -1.031 -2.448 -0.724 1.00 0.00 C ATOM 455 CG LEU A 36 -2.528 -2.444 -1.032 1.00 0.00 C ATOM 456 CD1 LEU A 36 -2.765 -2.323 -2.530 1.00 0.00 C ATOM 457 CD2 LEU A 36 -3.188 -3.701 -0.486 1.00 0.00 C ATOM 0 H LEU A 36 -1.081 -0.207 0.793 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.985 -3.122 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.558 -1.658 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.612 -3.393 -1.069 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.978 -1.580 -0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.837 -2.322 -2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.327 -1.394 -2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.301 -3.167 -3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.254 -3.681 -0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.735 -4.579 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.049 -3.745 0.594 1.00 0.00 H new ATOM 469 N THR A 37 1.448 -3.026 1.696 1.00 0.00 N ATOM 470 CA THR A 37 2.890 -3.034 1.910 1.00 0.00 C ATOM 471 C THR A 37 3.569 -4.084 1.039 1.00 0.00 C ATOM 472 O THR A 37 3.073 -5.202 0.895 1.00 0.00 O ATOM 473 CB THR A 37 3.237 -3.305 3.386 1.00 0.00 C ATOM 474 OG1 THR A 37 2.446 -2.469 4.237 1.00 0.00 O ATOM 475 CG2 THR A 37 4.714 -3.053 3.649 1.00 0.00 C ATOM 0 H THR A 37 0.940 -3.736 2.223 1.00 0.00 H new ATOM 0 HA THR A 37 3.256 -2.045 1.634 1.00 0.00 H new ATOM 0 HB THR A 37 3.019 -4.351 3.602 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.672 -2.649 5.174 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.936 -3.251 4.698 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.313 -3.712 3.021 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.953 -2.015 3.417 1.00 0.00 H new ATOM 483 N PHE A 38 4.707 -3.718 0.458 1.00 0.00 N ATOM 484 CA PHE A 38 5.455 -4.630 -0.400 1.00 0.00 C ATOM 485 C PHE A 38 6.778 -5.025 0.249 1.00 0.00 C ATOM 486 O PHE A 38 7.350 -4.265 1.029 1.00 0.00 O ATOM 487 CB PHE A 38 5.715 -3.983 -1.762 1.00 0.00 C ATOM 488 CG PHE A 38 4.461 -3.591 -2.489 1.00 0.00 C ATOM 489 CD1 PHE A 38 3.619 -2.619 -1.971 1.00 0.00 C ATOM 490 CD2 PHE A 38 4.123 -4.193 -3.690 1.00 0.00 C ATOM 491 CE1 PHE A 38 2.464 -2.257 -2.638 1.00 0.00 C ATOM 492 CE2 PHE A 38 2.969 -3.835 -4.361 1.00 0.00 C ATOM 493 CZ PHE A 38 2.139 -2.865 -3.835 1.00 0.00 C ATOM 0 H PHE A 38 5.131 -2.797 0.566 1.00 0.00 H new ATOM 0 HA PHE A 38 4.857 -5.530 -0.541 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.336 -3.098 -1.622 1.00 0.00 H new ATOM 0 HB3 PHE A 38 6.283 -4.676 -2.382 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.868 -2.139 -1.036 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.769 -4.951 -4.107 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.816 -1.499 -2.224 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.717 -4.313 -5.296 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.238 -2.582 -4.358 1.00 0.00 H new ATOM 503 N GLU A 39 7.258 -6.220 -0.081 1.00 0.00 N ATOM 504 CA GLU A 39 8.513 -6.718 0.471 1.00 0.00 C ATOM 505 C GLU A 39 9.305 -7.485 -0.584 1.00 0.00 C ATOM 506 O GLU A 39 8.735 -8.029 -1.530 1.00 0.00 O ATOM 507 CB GLU A 39 8.244 -7.619 1.678 1.00 0.00 C ATOM 508 CG GLU A 39 9.495 -7.976 2.462 1.00 0.00 C ATOM 509 CD GLU A 39 9.987 -6.833 3.329 1.00 0.00 C ATOM 510 OE1 GLU A 39 9.379 -6.589 4.392 1.00 0.00 O ATOM 511 OE2 GLU A 39 10.982 -6.183 2.943 1.00 0.00 O ATOM 0 H GLU A 39 6.797 -6.861 -0.727 1.00 0.00 H new ATOM 0 HA GLU A 39 9.104 -5.860 0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.539 -7.120 2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.765 -8.537 1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.290 -8.842 3.091 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.284 -8.266 1.768 1.00 0.00 H new ATOM 518 N CYS A 40 10.622 -7.524 -0.414 1.00 0.00 N ATOM 519 CA CYS A 40 11.494 -8.223 -1.350 1.00 0.00 C ATOM 520 C CYS A 40 12.556 -9.029 -0.606 1.00 0.00 C ATOM 521 O CYS A 40 12.921 -8.723 0.529 1.00 0.00 O ATOM 522 CB CYS A 40 12.165 -7.226 -2.296 1.00 0.00 C ATOM 523 SG CYS A 40 11.038 -6.493 -3.525 1.00 0.00 S ATOM 0 H CYS A 40 11.109 -7.079 0.364 1.00 0.00 H new ATOM 0 HA CYS A 40 10.882 -8.912 -1.933 1.00 0.00 H new ATOM 0 HB2 CYS A 40 12.612 -6.426 -1.706 1.00 0.00 H new ATOM 0 HB3 CYS A 40 12.978 -7.729 -2.819 1.00 0.00 H new ATOM 528 N PRO A 41 13.064 -10.084 -1.261 1.00 0.00 N ATOM 529 CA PRO A 41 14.091 -10.955 -0.682 1.00 0.00 C ATOM 530 C PRO A 41 15.441 -10.257 -0.559 1.00 0.00 C ATOM 531 O PRO A 41 15.584 -9.092 -0.929 1.00 0.00 O ATOM 532 CB PRO A 41 14.176 -12.113 -1.678 1.00 0.00 C ATOM 533 CG PRO A 41 13.712 -11.536 -2.971 1.00 0.00 C ATOM 534 CD PRO A 41 12.675 -10.507 -2.616 1.00 0.00 C ATOM 0 HA PRO A 41 13.839 -11.265 0.332 1.00 0.00 H new ATOM 0 HB2 PRO A 41 15.195 -12.493 -1.757 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.547 -12.948 -1.369 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.540 -11.083 -3.516 1.00 0.00 H new ATOM 0 HG3 PRO A 41 13.291 -12.309 -3.615 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.682 -9.671 -3.316 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.670 -10.928 -2.633 1.00 0.00 H new ATOM 542 N ALA A 42 16.429 -10.977 -0.038 1.00 0.00 N ATOM 543 CA ALA A 42 17.768 -10.427 0.131 1.00 0.00 C ATOM 544 C ALA A 42 18.401 -10.099 -1.218 1.00 0.00 C ATOM 545 O ALA A 42 17.885 -10.485 -2.266 1.00 0.00 O ATOM 546 CB ALA A 42 18.645 -11.401 0.904 1.00 0.00 C ATOM 0 H ALA A 42 16.327 -11.943 0.274 1.00 0.00 H new ATOM 0 HA ALA A 42 17.684 -9.501 0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 42 19.642 -10.977 1.023 1.00 0.00 H new ATOM 0 HB2 ALA A 42 18.209 -11.583 1.886 1.00 0.00 H new ATOM 0 HB3 ALA A 42 18.713 -12.342 0.358 1.00 0.00 H new ATOM 552 N ALA A 43 19.521 -9.384 -1.182 1.00 0.00 N ATOM 553 CA ALA A 43 20.224 -9.005 -2.402 1.00 0.00 C ATOM 554 C ALA A 43 19.420 -7.990 -3.206 1.00 0.00 C ATOM 555 O ALA A 43 19.483 -7.967 -4.436 1.00 0.00 O ATOM 556 CB ALA A 43 20.518 -10.237 -3.246 1.00 0.00 C ATOM 0 H ALA A 43 19.961 -9.056 -0.322 1.00 0.00 H new ATOM 0 HA ALA A 43 21.168 -8.539 -2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 43 21.043 -9.939 -4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 43 21.140 -10.928 -2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 43 19.582 -10.727 -3.513 1.00 0.00 H new ATOM 562 N PHE A 44 18.663 -7.151 -2.505 1.00 0.00 N ATOM 563 CA PHE A 44 17.845 -6.134 -3.155 1.00 0.00 C ATOM 564 C PHE A 44 17.617 -4.945 -2.227 1.00 0.00 C ATOM 565 O PHE A 44 17.947 -4.997 -1.042 1.00 0.00 O ATOM 566 CB PHE A 44 16.501 -6.727 -3.582 1.00 0.00 C ATOM 567 CG PHE A 44 16.567 -7.493 -4.872 1.00 0.00 C ATOM 568 CD1 PHE A 44 16.752 -6.834 -6.077 1.00 0.00 C ATOM 569 CD2 PHE A 44 16.444 -8.873 -4.881 1.00 0.00 C ATOM 570 CE1 PHE A 44 16.812 -7.536 -7.265 1.00 0.00 C ATOM 571 CE2 PHE A 44 16.503 -9.582 -6.066 1.00 0.00 C ATOM 572 CZ PHE A 44 16.688 -8.912 -7.260 1.00 0.00 C ATOM 0 H PHE A 44 18.600 -7.156 -1.487 1.00 0.00 H new ATOM 0 HA PHE A 44 18.378 -5.785 -4.040 1.00 0.00 H new ATOM 0 HB2 PHE A 44 16.138 -7.387 -2.795 1.00 0.00 H new ATOM 0 HB3 PHE A 44 15.773 -5.922 -3.684 1.00 0.00 H new ATOM 0 HD1 PHE A 44 16.850 -5.759 -6.087 1.00 0.00 H new ATOM 0 HD2 PHE A 44 16.300 -9.401 -3.950 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.956 -7.010 -8.197 1.00 0.00 H new ATOM 0 HE2 PHE A 44 16.405 -10.657 -6.059 1.00 0.00 H new ATOM 0 HZ PHE A 44 16.736 -9.463 -8.188 1.00 0.00 H new ATOM 582 N GLU A 45 17.052 -3.874 -2.775 1.00 0.00 N ATOM 583 CA GLU A 45 16.781 -2.671 -1.996 1.00 0.00 C ATOM 584 C GLU A 45 15.442 -2.055 -2.393 1.00 0.00 C ATOM 585 O GLU A 45 15.072 -2.051 -3.568 1.00 0.00 O ATOM 586 CB GLU A 45 17.903 -1.648 -2.190 1.00 0.00 C ATOM 587 CG GLU A 45 17.913 -0.551 -1.139 1.00 0.00 C ATOM 588 CD GLU A 45 18.760 -0.906 0.068 1.00 0.00 C ATOM 589 OE1 GLU A 45 19.522 -1.892 -0.013 1.00 0.00 O ATOM 590 OE2 GLU A 45 18.661 -0.199 1.092 1.00 0.00 O ATOM 0 H GLU A 45 16.773 -3.815 -3.754 1.00 0.00 H new ATOM 0 HA GLU A 45 16.734 -2.953 -0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 45 18.862 -2.165 -2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.803 -1.194 -3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 45 18.290 0.370 -1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.891 -0.354 -0.815 1.00 0.00 H new ATOM 597 N LEU A 46 14.720 -1.537 -1.406 1.00 0.00 N ATOM 598 CA LEU A 46 13.422 -0.919 -1.651 1.00 0.00 C ATOM 599 C LEU A 46 13.580 0.401 -2.399 1.00 0.00 C ATOM 600 O LEU A 46 14.344 1.273 -1.986 1.00 0.00 O ATOM 601 CB LEU A 46 12.689 -0.684 -0.329 1.00 0.00 C ATOM 602 CG LEU A 46 11.162 -0.668 -0.401 1.00 0.00 C ATOM 603 CD1 LEU A 46 10.620 -2.080 -0.552 1.00 0.00 C ATOM 604 CD2 LEU A 46 10.577 0.001 0.834 1.00 0.00 C ATOM 0 H LEU A 46 15.011 -1.533 -0.429 1.00 0.00 H new ATOM 0 HA LEU A 46 12.835 -1.598 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.991 -1.460 0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 46 13.023 0.268 0.084 1.00 0.00 H new ATOM 0 HG LEU A 46 10.865 -0.092 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.532 -2.049 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.012 -2.524 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.927 -2.681 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.489 0.003 0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.883 -0.548 1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.939 1.027 0.898 1.00 0.00 H new ATOM 616 N VAL A 47 12.850 0.542 -3.501 1.00 0.00 N ATOM 617 CA VAL A 47 12.906 1.757 -4.305 1.00 0.00 C ATOM 618 C VAL A 47 11.510 2.321 -4.546 1.00 0.00 C ATOM 619 O VAL A 47 10.943 2.163 -5.626 1.00 0.00 O ATOM 620 CB VAL A 47 13.585 1.499 -5.664 1.00 0.00 C ATOM 621 CG1 VAL A 47 13.922 2.814 -6.350 1.00 0.00 C ATOM 622 CG2 VAL A 47 14.832 0.648 -5.483 1.00 0.00 C ATOM 0 H VAL A 47 12.213 -0.170 -3.857 1.00 0.00 H new ATOM 0 HA VAL A 47 13.496 2.482 -3.744 1.00 0.00 H new ATOM 0 HB VAL A 47 12.889 0.952 -6.301 1.00 0.00 H new ATOM 0 HG11 VAL A 47 14.401 2.612 -7.308 1.00 0.00 H new ATOM 0 HG12 VAL A 47 13.007 3.384 -6.514 1.00 0.00 H new ATOM 0 HG13 VAL A 47 14.600 3.390 -5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 47 15.299 0.476 -6.453 1.00 0.00 H new ATOM 0 HG22 VAL A 47 15.534 1.166 -4.829 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.558 -0.308 -5.037 1.00 0.00 H new ATOM 632 N GLY A 48 10.962 2.982 -3.531 1.00 0.00 N ATOM 633 CA GLY A 48 9.636 3.561 -3.652 1.00 0.00 C ATOM 634 C GLY A 48 8.907 3.622 -2.324 1.00 0.00 C ATOM 635 O GLY A 48 9.534 3.692 -1.268 1.00 0.00 O ATOM 0 H GLY A 48 11.412 3.127 -2.627 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.718 4.567 -4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.049 2.974 -4.358 1.00 0.00 H new ATOM 639 N GLU A 49 7.579 3.599 -2.379 1.00 0.00 N ATOM 640 CA GLU A 49 6.764 3.655 -1.171 1.00 0.00 C ATOM 641 C GLU A 49 6.425 2.252 -0.677 1.00 0.00 C ATOM 642 O GLU A 49 5.463 1.636 -1.137 1.00 0.00 O ATOM 643 CB GLU A 49 5.478 4.440 -1.433 1.00 0.00 C ATOM 644 CG GLU A 49 5.663 5.615 -2.378 1.00 0.00 C ATOM 645 CD GLU A 49 4.681 6.739 -2.112 1.00 0.00 C ATOM 646 OE1 GLU A 49 3.665 6.491 -1.430 1.00 0.00 O ATOM 647 OE2 GLU A 49 4.929 7.868 -2.586 1.00 0.00 O ATOM 0 H GLU A 49 7.045 3.542 -3.246 1.00 0.00 H new ATOM 0 HA GLU A 49 7.341 4.163 -0.398 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.729 3.766 -1.848 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.086 4.806 -0.484 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.680 5.996 -2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.546 5.271 -3.406 1.00 0.00 H new ATOM 654 N ARG A 50 7.223 1.752 0.261 1.00 0.00 N ATOM 655 CA ARG A 50 7.009 0.420 0.816 1.00 0.00 C ATOM 656 C ARG A 50 5.520 0.142 1.002 1.00 0.00 C ATOM 657 O ARG A 50 5.041 -0.953 0.707 1.00 0.00 O ATOM 658 CB ARG A 50 7.736 0.279 2.154 1.00 0.00 C ATOM 659 CG ARG A 50 6.910 0.732 3.347 1.00 0.00 C ATOM 660 CD ARG A 50 7.651 0.505 4.655 1.00 0.00 C ATOM 661 NE ARG A 50 7.004 1.184 5.775 1.00 0.00 N ATOM 662 CZ ARG A 50 7.536 1.269 6.989 1.00 0.00 C ATOM 663 NH1 ARG A 50 8.718 0.722 7.239 1.00 0.00 N ATOM 664 NH2 ARG A 50 6.887 1.904 7.957 1.00 0.00 N ATOM 0 H ARG A 50 8.023 2.249 0.653 1.00 0.00 H new ATOM 0 HA ARG A 50 7.412 -0.309 0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.021 -0.764 2.295 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.658 0.859 2.120 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.668 1.790 3.243 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.965 0.189 3.364 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.704 -0.564 4.861 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.676 0.862 4.558 1.00 0.00 H new ATOM 0 HE ARG A 50 6.094 1.616 5.616 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.221 0.234 6.498 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.124 0.789 8.172 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.978 2.328 7.769 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.297 1.968 8.889 1.00 0.00 H new ATOM 678 N VAL A 51 4.794 1.140 1.494 1.00 0.00 N ATOM 679 CA VAL A 51 3.360 1.003 1.719 1.00 0.00 C ATOM 680 C VAL A 51 2.603 2.219 1.197 1.00 0.00 C ATOM 681 O VAL A 51 2.919 3.357 1.546 1.00 0.00 O ATOM 682 CB VAL A 51 3.042 0.818 3.215 1.00 0.00 C ATOM 683 CG1 VAL A 51 3.601 1.976 4.027 1.00 0.00 C ATOM 684 CG2 VAL A 51 1.541 0.683 3.428 1.00 0.00 C ATOM 0 H VAL A 51 5.175 2.052 1.745 1.00 0.00 H new ATOM 0 HA VAL A 51 3.037 0.116 1.174 1.00 0.00 H new ATOM 0 HB VAL A 51 3.519 -0.100 3.559 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.367 1.828 5.081 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.682 2.022 3.899 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.155 2.910 3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.334 0.553 4.490 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.040 1.582 3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.172 -0.183 2.878 1.00 0.00 H new ATOM 694 N ILE A 52 1.602 1.971 0.359 1.00 0.00 N ATOM 695 CA ILE A 52 0.798 3.046 -0.210 1.00 0.00 C ATOM 696 C ILE A 52 -0.562 3.137 0.474 1.00 0.00 C ATOM 697 O ILE A 52 -1.107 2.133 0.935 1.00 0.00 O ATOM 698 CB ILE A 52 0.587 2.850 -1.723 1.00 0.00 C ATOM 699 CG1 ILE A 52 0.362 1.371 -2.041 1.00 0.00 C ATOM 700 CG2 ILE A 52 1.781 3.388 -2.498 1.00 0.00 C ATOM 701 CD1 ILE A 52 -0.161 1.127 -3.440 1.00 0.00 C ATOM 0 H ILE A 52 1.328 1.035 0.059 1.00 0.00 H new ATOM 0 HA ILE A 52 1.348 3.973 -0.045 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.300 3.407 -2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.302 0.833 -1.914 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.343 0.956 -1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.617 3.242 -3.566 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.900 4.451 -2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.682 2.856 -2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.297 0.057 -3.596 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.116 1.636 -3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.553 1.512 -4.168 1.00 0.00 H new ATOM 713 N THR A 53 -1.107 4.348 0.535 1.00 0.00 N ATOM 714 CA THR A 53 -2.404 4.571 1.162 1.00 0.00 C ATOM 715 C THR A 53 -3.457 4.949 0.126 1.00 0.00 C ATOM 716 O THR A 53 -3.200 5.751 -0.772 1.00 0.00 O ATOM 717 CB THR A 53 -2.329 5.679 2.229 1.00 0.00 C ATOM 718 OG1 THR A 53 -1.366 5.330 3.230 1.00 0.00 O ATOM 719 CG2 THR A 53 -3.687 5.898 2.879 1.00 0.00 C ATOM 0 H THR A 53 -0.670 5.189 0.158 1.00 0.00 H new ATOM 0 HA THR A 53 -2.689 3.634 1.641 1.00 0.00 H new ATOM 0 HB THR A 53 -2.025 6.604 1.740 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.323 6.040 3.904 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.609 6.685 3.629 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.411 6.192 2.119 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.016 4.974 3.355 1.00 0.00 H new ATOM 727 N CYS A 54 -4.645 4.367 0.257 1.00 0.00 N ATOM 728 CA CYS A 54 -5.738 4.643 -0.667 1.00 0.00 C ATOM 729 C CYS A 54 -6.502 5.896 -0.247 1.00 0.00 C ATOM 730 O CYS A 54 -6.937 6.014 0.898 1.00 0.00 O ATOM 731 CB CYS A 54 -6.692 3.449 -0.732 1.00 0.00 C ATOM 732 SG CYS A 54 -7.779 3.444 -2.194 1.00 0.00 S ATOM 0 H CYS A 54 -4.875 3.701 0.995 1.00 0.00 H new ATOM 0 HA CYS A 54 -5.311 4.813 -1.655 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.107 2.529 -0.724 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.309 3.441 0.166 1.00 0.00 H new ATOM 737 N GLN A 55 -6.660 6.826 -1.183 1.00 0.00 N ATOM 738 CA GLN A 55 -7.371 8.070 -0.910 1.00 0.00 C ATOM 739 C GLN A 55 -8.846 7.945 -1.275 1.00 0.00 C ATOM 740 O GLN A 55 -9.217 7.144 -2.133 1.00 0.00 O ATOM 741 CB GLN A 55 -6.737 9.225 -1.687 1.00 0.00 C ATOM 742 CG GLN A 55 -5.218 9.229 -1.639 1.00 0.00 C ATOM 743 CD GLN A 55 -4.617 10.462 -2.285 1.00 0.00 C ATOM 744 OE1 GLN A 55 -5.008 10.855 -3.384 1.00 0.00 O ATOM 745 NE2 GLN A 55 -3.660 11.081 -1.603 1.00 0.00 N ATOM 0 H GLN A 55 -6.306 6.742 -2.136 1.00 0.00 H new ATOM 0 HA GLN A 55 -7.296 8.275 0.158 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.059 9.172 -2.727 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.107 10.168 -1.286 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.891 9.171 -0.601 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.840 8.339 -2.142 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.366 10.721 -0.695 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.219 11.917 -1.987 1.00 0.00 H new ATOM 754 N GLN A 56 -9.683 8.742 -0.618 1.00 0.00 N ATOM 755 CA GLN A 56 -11.119 8.719 -0.874 1.00 0.00 C ATOM 756 C GLN A 56 -11.413 8.968 -2.349 1.00 0.00 C ATOM 757 O GLN A 56 -12.519 8.713 -2.823 1.00 0.00 O ATOM 758 CB GLN A 56 -11.827 9.769 -0.016 1.00 0.00 C ATOM 759 CG GLN A 56 -11.467 11.199 -0.384 1.00 0.00 C ATOM 760 CD GLN A 56 -10.196 11.673 0.294 1.00 0.00 C ATOM 761 OE1 GLN A 56 -9.805 11.153 1.339 1.00 0.00 O ATOM 762 NE2 GLN A 56 -9.544 12.666 -0.299 1.00 0.00 N ATOM 0 H GLN A 56 -9.392 9.411 0.095 1.00 0.00 H new ATOM 0 HA GLN A 56 -11.494 7.730 -0.610 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -12.905 9.638 -0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -11.578 9.598 1.031 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -11.347 11.273 -1.465 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.289 11.859 -0.109 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.904 13.068 -1.165 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.683 13.027 0.111 1.00 0.00 H new ATOM 771 N ASN A 57 -10.414 9.467 -3.071 1.00 0.00 N ATOM 772 CA ASN A 57 -10.567 9.752 -4.493 1.00 0.00 C ATOM 773 C ASN A 57 -10.200 8.532 -5.334 1.00 0.00 C ATOM 774 O ASN A 57 -9.631 8.661 -6.417 1.00 0.00 O ATOM 775 CB ASN A 57 -9.693 10.942 -4.893 1.00 0.00 C ATOM 776 CG ASN A 57 -10.091 11.526 -6.235 1.00 0.00 C ATOM 777 OD1 ASN A 57 -11.273 11.591 -6.570 1.00 0.00 O ATOM 778 ND2 ASN A 57 -9.101 11.955 -7.010 1.00 0.00 N ATOM 0 H ASN A 57 -9.491 9.682 -2.695 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.612 9.999 -4.679 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.764 11.715 -4.128 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.650 10.627 -4.932 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -9.307 12.358 -7.924 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.135 11.881 -6.691 1.00 0.00 H new ATOM 785 N ASN A 58 -10.532 7.349 -4.826 1.00 0.00 N ATOM 786 CA ASN A 58 -10.237 6.106 -5.530 1.00 0.00 C ATOM 787 C ASN A 58 -8.906 6.202 -6.269 1.00 0.00 C ATOM 788 O ASN A 58 -8.792 5.780 -7.420 1.00 0.00 O ATOM 789 CB ASN A 58 -11.359 5.778 -6.518 1.00 0.00 C ATOM 790 CG ASN A 58 -11.562 6.872 -7.548 1.00 0.00 C ATOM 791 OD1 ASN A 58 -12.038 7.961 -7.226 1.00 0.00 O ATOM 792 ND2 ASN A 58 -11.201 6.587 -8.793 1.00 0.00 N ATOM 0 H ASN A 58 -11.005 7.225 -3.931 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.165 5.307 -4.792 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -11.129 4.842 -7.027 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.288 5.622 -5.970 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.314 7.284 -9.529 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.811 5.671 -9.014 1.00 0.00 H new ATOM 799 N GLN A 59 -7.902 6.758 -5.599 1.00 0.00 N ATOM 800 CA GLN A 59 -6.579 6.908 -6.192 1.00 0.00 C ATOM 801 C GLN A 59 -5.487 6.641 -5.162 1.00 0.00 C ATOM 802 O GLN A 59 -5.634 6.974 -3.986 1.00 0.00 O ATOM 803 CB GLN A 59 -6.414 8.314 -6.774 1.00 0.00 C ATOM 804 CG GLN A 59 -6.931 8.447 -8.197 1.00 0.00 C ATOM 805 CD GLN A 59 -6.175 7.571 -9.177 1.00 0.00 C ATOM 806 OE1 GLN A 59 -6.502 6.398 -9.359 1.00 0.00 O ATOM 807 NE2 GLN A 59 -5.158 8.138 -9.816 1.00 0.00 N ATOM 0 H GLN A 59 -7.980 7.112 -4.646 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.483 6.176 -6.994 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.939 9.026 -6.137 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.359 8.586 -6.753 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.988 8.184 -8.221 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.854 9.488 -8.512 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -4.922 9.114 -9.634 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.613 7.598 -10.488 1.00 0.00 H new ATOM 816 N TRP A 60 -4.392 6.037 -5.611 1.00 0.00 N ATOM 817 CA TRP A 60 -3.275 5.724 -4.727 1.00 0.00 C ATOM 818 C TRP A 60 -2.322 6.909 -4.614 1.00 0.00 C ATOM 819 O TRP A 60 -2.045 7.591 -5.601 1.00 0.00 O ATOM 820 CB TRP A 60 -2.522 4.495 -5.238 1.00 0.00 C ATOM 821 CG TRP A 60 -3.251 3.208 -4.994 1.00 0.00 C ATOM 822 CD1 TRP A 60 -3.948 2.474 -5.911 1.00 0.00 C ATOM 823 CD2 TRP A 60 -3.358 2.506 -3.751 1.00 0.00 C ATOM 824 NE1 TRP A 60 -4.480 1.357 -5.313 1.00 0.00 N ATOM 825 CE2 TRP A 60 -4.132 1.353 -3.988 1.00 0.00 C ATOM 826 CE3 TRP A 60 -2.872 2.737 -2.461 1.00 0.00 C ATOM 827 CZ2 TRP A 60 -4.431 0.438 -2.983 1.00 0.00 C ATOM 828 CZ3 TRP A 60 -3.171 1.827 -1.464 1.00 0.00 C ATOM 829 CH2 TRP A 60 -3.943 0.689 -1.729 1.00 0.00 C ATOM 0 H TRP A 60 -4.254 5.755 -6.581 1.00 0.00 H new ATOM 0 HA TRP A 60 -3.677 5.509 -3.737 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -2.343 4.606 -6.308 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.546 4.449 -4.755 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.064 2.733 -6.953 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -5.043 0.646 -5.780 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.274 3.610 -2.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -5.027 -0.439 -3.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -2.803 1.997 -0.463 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.157 -0.004 -0.929 1.00 0.00 H new ATOM 840 N SER A 61 -1.822 7.148 -3.406 1.00 0.00 N ATOM 841 CA SER A 61 -0.902 8.253 -3.165 1.00 0.00 C ATOM 842 C SER A 61 0.436 8.007 -3.856 1.00 0.00 C ATOM 843 O SER A 61 1.301 8.881 -3.888 1.00 0.00 O ATOM 844 CB SER A 61 -0.685 8.445 -1.662 1.00 0.00 C ATOM 845 OG SER A 61 -0.208 7.254 -1.060 1.00 0.00 O ATOM 0 H SER A 61 -2.039 6.591 -2.579 1.00 0.00 H new ATOM 0 HA SER A 61 -1.344 9.159 -3.580 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.028 9.252 -1.494 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.621 8.744 -1.191 1.00 0.00 H new ATOM 0 HG SER A 61 -0.076 7.403 -0.100 1.00 0.00 H new ATOM 851 N GLY A 62 0.598 6.808 -4.408 1.00 0.00 N ATOM 852 CA GLY A 62 1.833 6.467 -5.091 1.00 0.00 C ATOM 853 C GLY A 62 1.744 5.141 -5.819 1.00 0.00 C ATOM 854 O GLY A 62 1.096 4.208 -5.347 1.00 0.00 O ATOM 0 H GLY A 62 -0.103 6.067 -4.395 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.080 7.254 -5.804 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.646 6.427 -4.367 1.00 0.00 H new ATOM 858 N ASN A 63 2.397 5.057 -6.974 1.00 0.00 N ATOM 859 CA ASN A 63 2.387 3.835 -7.771 1.00 0.00 C ATOM 860 C ASN A 63 3.135 2.714 -7.056 1.00 0.00 C ATOM 861 O ASN A 63 4.044 2.965 -6.263 1.00 0.00 O ATOM 862 CB ASN A 63 3.018 4.091 -9.141 1.00 0.00 C ATOM 863 CG ASN A 63 2.459 5.331 -9.812 1.00 0.00 C ATOM 864 OD1 ASN A 63 3.182 6.297 -10.055 1.00 0.00 O ATOM 865 ND2 ASN A 63 1.167 5.309 -10.115 1.00 0.00 N ATOM 0 H ASN A 63 2.939 5.820 -7.379 1.00 0.00 H new ATOM 0 HA ASN A 63 1.350 3.527 -7.907 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.097 4.198 -9.027 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.849 3.226 -9.783 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.736 6.115 -10.568 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.606 4.486 -9.895 1.00 0.00 H new ATOM 872 N LYS A 64 2.747 1.476 -7.342 1.00 0.00 N ATOM 873 CA LYS A 64 3.381 0.314 -6.729 1.00 0.00 C ATOM 874 C LYS A 64 4.882 0.533 -6.572 1.00 0.00 C ATOM 875 O LYS A 64 5.532 1.164 -7.406 1.00 0.00 O ATOM 876 CB LYS A 64 3.122 -0.937 -7.571 1.00 0.00 C ATOM 877 CG LYS A 64 3.054 -0.663 -9.063 1.00 0.00 C ATOM 878 CD LYS A 64 3.203 -1.941 -9.872 1.00 0.00 C ATOM 879 CE LYS A 64 3.384 -1.645 -11.353 1.00 0.00 C ATOM 880 NZ LYS A 64 4.229 -0.440 -11.579 1.00 0.00 N ATOM 0 H LYS A 64 1.996 1.251 -7.995 1.00 0.00 H new ATOM 0 HA LYS A 64 2.947 0.174 -5.739 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.912 -1.664 -7.379 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.185 -1.393 -7.251 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.103 -0.188 -9.304 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.840 0.039 -9.341 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.059 -2.507 -9.506 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.322 -2.568 -9.730 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.841 -2.506 -11.842 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.408 -1.496 -11.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.553 -0.423 -12.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.672 0.416 -11.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.053 -0.470 -10.945 1.00 0.00 H new ATOM 894 N PRO A 65 5.448 -0.002 -5.480 1.00 0.00 N ATOM 895 CA PRO A 65 6.880 0.120 -5.190 1.00 0.00 C ATOM 896 C PRO A 65 7.738 -0.694 -6.153 1.00 0.00 C ATOM 897 O PRO A 65 7.241 -1.221 -7.148 1.00 0.00 O ATOM 898 CB PRO A 65 7.002 -0.432 -3.768 1.00 0.00 C ATOM 899 CG PRO A 65 5.844 -1.357 -3.620 1.00 0.00 C ATOM 900 CD PRO A 65 4.734 -0.767 -4.444 1.00 0.00 C ATOM 0 HA PRO A 65 7.231 1.147 -5.295 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.947 -0.956 -3.626 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.967 0.368 -3.028 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.098 -2.358 -3.967 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.548 -1.448 -2.575 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.102 -1.541 -4.880 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.086 -0.126 -3.846 1.00 0.00 H new ATOM 908 N SER A 66 9.028 -0.793 -5.849 1.00 0.00 N ATOM 909 CA SER A 66 9.956 -1.541 -6.690 1.00 0.00 C ATOM 910 C SER A 66 11.170 -1.997 -5.887 1.00 0.00 C ATOM 911 O SER A 66 11.357 -1.593 -4.739 1.00 0.00 O ATOM 912 CB SER A 66 10.406 -0.685 -7.875 1.00 0.00 C ATOM 913 OG SER A 66 11.629 -1.160 -8.412 1.00 0.00 O ATOM 0 H SER A 66 9.454 -0.365 -5.027 1.00 0.00 H new ATOM 0 HA SER A 66 9.438 -2.424 -7.065 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.637 -0.695 -8.648 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.523 0.351 -7.556 1.00 0.00 H new ATOM 0 HG SER A 66 11.894 -0.597 -9.169 1.00 0.00 H new ATOM 919 N CYS A 67 11.993 -2.842 -6.499 1.00 0.00 N ATOM 920 CA CYS A 67 13.190 -3.355 -5.843 1.00 0.00 C ATOM 921 C CYS A 67 14.342 -3.482 -6.836 1.00 0.00 C ATOM 922 O CYS A 67 14.317 -4.332 -7.726 1.00 0.00 O ATOM 923 CB CYS A 67 12.902 -4.714 -5.202 1.00 0.00 C ATOM 924 SG CYS A 67 11.751 -4.642 -3.791 1.00 0.00 S ATOM 0 H CYS A 67 11.853 -3.186 -7.449 1.00 0.00 H new ATOM 0 HA CYS A 67 13.480 -2.648 -5.066 1.00 0.00 H new ATOM 0 HB2 CYS A 67 12.490 -5.381 -5.959 1.00 0.00 H new ATOM 0 HB3 CYS A 67 13.842 -5.153 -4.868 1.00 0.00 H new ATOM 929 N SER A 68 15.350 -2.631 -6.675 1.00 0.00 N ATOM 930 CA SER A 68 16.510 -2.646 -7.559 1.00 0.00 C ATOM 931 C SER A 68 17.750 -3.140 -6.820 1.00 0.00 C ATOM 932 O SER A 68 18.363 -4.133 -7.208 1.00 0.00 O ATOM 933 CB SER A 68 16.764 -1.247 -8.125 1.00 0.00 C ATOM 934 OG SER A 68 17.598 -0.492 -7.264 1.00 0.00 O ATOM 0 H SER A 68 15.387 -1.923 -5.942 1.00 0.00 H new ATOM 0 HA SER A 68 16.301 -3.331 -8.381 1.00 0.00 H new ATOM 0 HB2 SER A 68 17.229 -1.328 -9.108 1.00 0.00 H new ATOM 0 HB3 SER A 68 15.815 -0.729 -8.263 1.00 0.00 H new ATOM 0 HG SER A 68 17.746 0.397 -7.649 1.00 0.00 H new