USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 247 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 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -152:sc= -0.295 (180deg=-1.6) USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= 0.828 (180deg=0.264) USER MOD Single : A 21 ASN : amide:sc= -0.545 K(o=-0.55,f=-11!) USER MOD Single : A 22 HIS : no HD1:sc=-0.00562 X(o=-0.0056,f=-0.044) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -125:sc= 2.18 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.305 K(o=-0.3,f=-2.7!) USER MOD Single : A 55 ASN : amide:sc= -0.0584 K(o=-0.058,f=-2.2!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 147 N GLU A 11 -3.338 9.558 -5.467 1.00 43.44 N ATOM 148 CA GLU A 11 -3.934 8.325 -4.933 1.00 72.32 C ATOM 149 C GLU A 11 -3.165 7.800 -3.716 1.00 35.12 C ATOM 150 O GLU A 11 -3.488 6.745 -3.184 1.00 52.42 O ATOM 151 CB GLU A 11 -3.961 7.231 -6.007 1.00 33.25 C ATOM 152 CG GLU A 11 -4.952 7.475 -7.135 1.00 43.23 C ATOM 153 CD GLU A 11 -4.948 6.352 -8.160 1.00 12.53 C ATOM 154 OE1 GLU A 11 -4.992 5.166 -7.754 1.00 21.11 O ATOM 155 OE2 GLU A 11 -4.912 6.645 -9.373 1.00 40.13 O ATOM 0 HA GLU A 11 -4.950 8.573 -4.625 1.00 72.32 H new ATOM 0 HB2 GLU A 11 -2.962 7.134 -6.433 1.00 33.25 H new ATOM 0 HB3 GLU A 11 -4.199 6.279 -5.532 1.00 33.25 H new ATOM 0 HG2 GLU A 11 -5.954 7.580 -6.719 1.00 43.23 H new ATOM 0 HG3 GLU A 11 -4.712 8.416 -7.630 1.00 43.23 H new ATOM 162 N ALA A 12 -2.140 8.525 -3.292 1.00 75.15 N ATOM 163 CA ALA A 12 -1.326 8.107 -2.148 1.00 54.11 C ATOM 164 C ALA A 12 -1.433 9.100 -0.985 1.00 32.35 C ATOM 165 O ALA A 12 -1.672 10.292 -1.189 1.00 63.10 O ATOM 166 CB ALA A 12 0.125 7.942 -2.576 1.00 60.44 C ATOM 0 H ALA A 12 -1.849 9.405 -3.718 1.00 75.15 H new ATOM 0 HA ALA A 12 -1.707 7.149 -1.795 1.00 54.11 H new ATOM 0 HB1 ALA A 12 0.724 7.631 -1.720 1.00 60.44 H new ATOM 0 HB2 ALA A 12 0.190 7.186 -3.358 1.00 60.44 H new ATOM 0 HB3 ALA A 12 0.502 8.891 -2.957 1.00 60.44 H new ATOM 172 N CYS A 13 -1.215 8.606 0.228 1.00 61.54 N ATOM 173 CA CYS A 13 -1.346 9.427 1.439 1.00 71.43 C ATOM 174 C CYS A 13 0.025 9.932 1.912 1.00 50.35 C ATOM 175 O CYS A 13 0.995 9.181 1.937 1.00 14.44 O ATOM 176 CB CYS A 13 -2.009 8.607 2.557 1.00 31.44 C ATOM 177 SG CYS A 13 -3.770 8.214 2.266 1.00 32.42 S ATOM 0 H CYS A 13 -0.946 7.638 0.406 1.00 61.54 H new ATOM 0 HA CYS A 13 -1.968 10.290 1.201 1.00 71.43 H new ATOM 0 HB2 CYS A 13 -1.458 7.675 2.683 1.00 31.44 H new ATOM 0 HB3 CYS A 13 -1.923 9.157 3.494 1.00 31.44 H new ATOM 182 N LYS A 14 0.101 11.205 2.301 1.00 34.24 N ATOM 183 CA LYS A 14 1.371 11.799 2.741 1.00 53.15 C ATOM 184 C LYS A 14 1.740 11.328 4.157 1.00 2.34 C ATOM 185 O LYS A 14 0.902 11.337 5.065 1.00 12.35 O ATOM 186 CB LYS A 14 1.295 13.331 2.691 1.00 62.41 C ATOM 187 CG LYS A 14 2.597 14.025 3.091 1.00 24.20 C ATOM 188 CD LYS A 14 2.517 15.537 2.899 1.00 32.24 C ATOM 189 CE LYS A 14 3.798 16.237 3.346 1.00 33.33 C ATOM 190 NZ LYS A 14 3.737 17.703 3.115 1.00 32.45 N ATOM 0 H LYS A 14 -0.694 11.844 2.322 1.00 34.24 H new ATOM 0 HA LYS A 14 2.152 11.466 2.058 1.00 53.15 H new ATOM 0 HB2 LYS A 14 1.025 13.640 1.681 1.00 62.41 H new ATOM 0 HB3 LYS A 14 0.496 13.668 3.352 1.00 62.41 H new ATOM 0 HG2 LYS A 14 2.821 13.803 4.134 1.00 24.20 H new ATOM 0 HG3 LYS A 14 3.419 13.626 2.496 1.00 24.20 H new ATOM 0 HD2 LYS A 14 2.329 15.760 1.849 1.00 32.24 H new ATOM 0 HD3 LYS A 14 1.672 15.930 3.464 1.00 32.24 H new ATOM 0 HE2 LYS A 14 3.967 16.043 4.405 1.00 33.33 H new ATOM 0 HE3 LYS A 14 4.648 15.819 2.806 1.00 33.33 H new ATOM 0 HZ1 LYS A 14 4.625 18.142 3.432 1.00 32.45 H new ATOM 0 HZ2 LYS A 14 3.601 17.889 2.101 1.00 32.45 H new ATOM 0 HZ3 LYS A 14 2.942 18.106 3.651 1.00 32.45 H new ATOM 204 N GLY A 15 2.992 10.910 4.337 1.00 34.20 N ATOM 205 CA GLY A 15 3.415 10.349 5.614 1.00 54.53 C ATOM 206 C GLY A 15 2.907 8.926 5.820 1.00 13.43 C ATOM 207 O GLY A 15 3.085 8.340 6.891 1.00 62.03 O ATOM 0 H GLY A 15 3.721 10.949 3.624 1.00 34.20 H new ATOM 0 HA2 GLY A 15 4.504 10.355 5.668 1.00 54.53 H new ATOM 0 HA3 GLY A 15 3.053 10.982 6.424 1.00 54.53 H new ATOM 211 N GLU A 16 2.252 8.375 4.795 1.00 2.30 N ATOM 212 CA GLU A 16 1.672 7.028 4.860 1.00 4.25 C ATOM 213 C GLU A 16 1.895 6.251 3.551 1.00 50.12 C ATOM 214 O GLU A 16 2.185 6.834 2.513 1.00 64.20 O ATOM 215 CB GLU A 16 0.166 7.110 5.158 1.00 61.35 C ATOM 216 CG GLU A 16 -0.167 7.682 6.534 1.00 14.44 C ATOM 217 CD GLU A 16 -1.661 7.709 6.817 1.00 71.05 C ATOM 218 OE1 GLU A 16 -2.195 6.703 7.328 1.00 30.21 O ATOM 219 OE2 GLU A 16 -2.305 8.737 6.521 1.00 72.01 O ATOM 0 H GLU A 16 2.108 8.845 3.901 1.00 2.30 H new ATOM 0 HA GLU A 16 2.176 6.493 5.665 1.00 4.25 H new ATOM 0 HB2 GLU A 16 -0.311 7.725 4.395 1.00 61.35 H new ATOM 0 HB3 GLU A 16 -0.264 6.112 5.078 1.00 61.35 H new ATOM 0 HG2 GLU A 16 0.332 7.088 7.300 1.00 14.44 H new ATOM 0 HG3 GLU A 16 0.230 8.694 6.607 1.00 14.44 H new ATOM 226 N MET A 17 1.775 4.928 3.614 1.00 74.45 N ATOM 227 CA MET A 17 1.867 4.077 2.424 1.00 74.04 C ATOM 228 C MET A 17 0.473 3.719 1.885 1.00 24.04 C ATOM 229 O MET A 17 -0.481 3.566 2.649 1.00 21.13 O ATOM 230 CB MET A 17 2.644 2.797 2.748 1.00 24.43 C ATOM 231 CG MET A 17 4.126 3.032 3.017 1.00 53.33 C ATOM 232 SD MET A 17 5.051 1.496 3.204 1.00 65.24 S ATOM 233 CE MET A 17 4.150 0.720 4.544 1.00 43.51 C ATOM 0 H MET A 17 1.613 4.416 4.481 1.00 74.45 H new ATOM 0 HA MET A 17 2.397 4.636 1.653 1.00 74.04 H new ATOM 0 HB2 MET A 17 2.196 2.322 3.621 1.00 24.43 H new ATOM 0 HB3 MET A 17 2.541 2.099 1.917 1.00 24.43 H new ATOM 0 HG2 MET A 17 4.552 3.611 2.198 1.00 53.33 H new ATOM 0 HG3 MET A 17 4.237 3.630 3.921 1.00 53.33 H new ATOM 0 HE1 MET A 17 4.820 0.065 5.101 1.00 43.51 H new ATOM 0 HE2 MET A 17 3.756 1.488 5.210 1.00 43.51 H new ATOM 0 HE3 MET A 17 3.326 0.135 4.137 1.00 43.51 H new ATOM 243 N LYS A 18 0.373 3.578 0.568 1.00 52.43 N ATOM 244 CA LYS A 18 -0.896 3.265 -0.100 1.00 1.34 C ATOM 245 C LYS A 18 -1.090 1.743 -0.267 1.00 3.22 C ATOM 246 O LYS A 18 -0.317 1.077 -0.954 1.00 11.44 O ATOM 247 CB LYS A 18 -0.914 3.959 -1.469 1.00 10.41 C ATOM 248 CG LYS A 18 -2.131 3.636 -2.336 1.00 1.01 C ATOM 249 CD LYS A 18 -1.956 4.162 -3.761 1.00 20.24 C ATOM 250 CE LYS A 18 -3.152 3.835 -4.651 1.00 71.11 C ATOM 251 NZ LYS A 18 -2.870 4.117 -6.087 1.00 51.33 N ATOM 0 H LYS A 18 1.163 3.676 -0.069 1.00 52.43 H new ATOM 0 HA LYS A 18 -1.718 3.628 0.516 1.00 1.34 H new ATOM 0 HB2 LYS A 18 -0.871 5.037 -1.315 1.00 10.41 H new ATOM 0 HB3 LYS A 18 -0.013 3.679 -2.014 1.00 10.41 H new ATOM 0 HG2 LYS A 18 -2.286 2.557 -2.361 1.00 1.01 H new ATOM 0 HG3 LYS A 18 -3.024 4.076 -1.891 1.00 1.01 H new ATOM 0 HD2 LYS A 18 -1.812 5.242 -3.732 1.00 20.24 H new ATOM 0 HD3 LYS A 18 -1.054 3.732 -4.196 1.00 20.24 H new ATOM 0 HE2 LYS A 18 -3.416 2.784 -4.533 1.00 71.11 H new ATOM 0 HE3 LYS A 18 -4.014 4.419 -4.329 1.00 71.11 H new ATOM 0 HZ1 LYS A 18 -3.765 4.162 -6.614 1.00 51.33 H new ATOM 0 HZ2 LYS A 18 -2.372 5.026 -6.171 1.00 51.33 H new ATOM 0 HZ3 LYS A 18 -2.275 3.359 -6.479 1.00 51.33 H new ATOM 265 N CYS A 19 -2.126 1.201 0.372 1.00 51.41 N ATOM 266 CA CYS A 19 -2.445 -0.235 0.278 1.00 41.42 C ATOM 267 C CYS A 19 -3.691 -0.468 -0.591 1.00 62.42 C ATOM 268 O CYS A 19 -4.805 -0.135 -0.185 1.00 63.42 O ATOM 269 CB CYS A 19 -2.691 -0.819 1.675 1.00 61.31 C ATOM 270 SG CYS A 19 -1.352 -0.508 2.874 1.00 72.12 S ATOM 0 H CYS A 19 -2.765 1.732 0.964 1.00 51.41 H new ATOM 0 HA CYS A 19 -1.593 -0.734 -0.184 1.00 41.42 H new ATOM 0 HB2 CYS A 19 -3.618 -0.404 2.070 1.00 61.31 H new ATOM 0 HB3 CYS A 19 -2.837 -1.895 1.584 1.00 61.31 H new ATOM 275 N ILE A 20 -3.505 -1.035 -1.780 1.00 32.43 N ATOM 276 CA ILE A 20 -4.626 -1.313 -2.692 1.00 25.44 C ATOM 277 C ILE A 20 -4.564 -2.740 -3.246 1.00 25.03 C ATOM 278 O ILE A 20 -3.532 -3.398 -3.179 1.00 11.31 O ATOM 279 CB ILE A 20 -4.678 -0.323 -3.886 1.00 62.11 C ATOM 280 CG1 ILE A 20 -3.386 -0.406 -4.717 1.00 22.43 C ATOM 281 CG2 ILE A 20 -4.926 1.103 -3.399 1.00 10.03 C ATOM 282 CD1 ILE A 20 -3.429 0.405 -5.996 1.00 72.41 C ATOM 0 H ILE A 20 -2.592 -1.313 -2.140 1.00 32.43 H new ATOM 0 HA ILE A 20 -5.528 -1.190 -2.092 1.00 25.44 H new ATOM 0 HB ILE A 20 -5.512 -0.607 -4.529 1.00 62.11 H new ATOM 0 HG12 ILE A 20 -2.550 -0.062 -4.108 1.00 22.43 H new ATOM 0 HG13 ILE A 20 -3.191 -1.449 -4.966 1.00 22.43 H new ATOM 0 HG21 ILE A 20 -4.958 1.779 -4.254 1.00 10.03 H new ATOM 0 HG22 ILE A 20 -5.876 1.146 -2.866 1.00 10.03 H new ATOM 0 HG23 ILE A 20 -4.121 1.404 -2.729 1.00 10.03 H new ATOM 0 HD11 ILE A 20 -2.483 0.297 -6.527 1.00 72.41 H new ATOM 0 HD12 ILE A 20 -4.243 0.047 -6.627 1.00 72.41 H new ATOM 0 HD13 ILE A 20 -3.592 1.456 -5.755 1.00 72.41 H new ATOM 294 N ASN A 21 -5.684 -3.217 -3.771 1.00 54.54 N ATOM 295 CA ASN A 21 -5.730 -4.530 -4.424 1.00 71.52 C ATOM 296 C ASN A 21 -6.389 -4.446 -5.810 1.00 13.11 C ATOM 297 O ASN A 21 -7.004 -3.436 -6.158 1.00 43.44 O ATOM 298 CB ASN A 21 -6.473 -5.544 -3.547 1.00 55.25 C ATOM 299 CG ASN A 21 -7.865 -5.091 -3.138 1.00 52.52 C ATOM 300 OD1 ASN A 21 -8.509 -4.300 -3.818 1.00 50.34 O ATOM 301 ND2 ASN A 21 -8.352 -5.613 -2.032 1.00 61.23 N ATOM 0 H ASN A 21 -6.575 -2.720 -3.761 1.00 54.54 H new ATOM 0 HA ASN A 21 -4.702 -4.866 -4.559 1.00 71.52 H new ATOM 0 HB2 ASN A 21 -6.551 -6.489 -4.085 1.00 55.25 H new ATOM 0 HB3 ASN A 21 -5.884 -5.736 -2.650 1.00 55.25 H new ATOM 0 HD21 ASN A 21 -9.290 -5.362 -1.719 1.00 61.23 H new ATOM 0 HD22 ASN A 21 -7.791 -6.269 -1.488 1.00 61.23 H new ATOM 308 N HIS A 22 -6.271 -5.524 -6.589 1.00 60.54 N ATOM 309 CA HIS A 22 -6.885 -5.599 -7.924 1.00 53.33 C ATOM 310 C HIS A 22 -8.413 -5.420 -7.853 1.00 63.00 C ATOM 311 O HIS A 22 -9.052 -5.045 -8.837 1.00 44.23 O ATOM 312 CB HIS A 22 -6.539 -6.936 -8.602 1.00 44.34 C ATOM 313 CG HIS A 22 -5.073 -7.122 -8.862 1.00 42.01 C ATOM 314 ND1 HIS A 22 -4.217 -7.719 -7.964 1.00 74.14 N ATOM 315 CD2 HIS A 22 -4.311 -6.783 -9.933 1.00 4.12 C ATOM 316 CE1 HIS A 22 -2.998 -7.740 -8.464 1.00 71.31 C ATOM 317 NE2 HIS A 22 -3.025 -7.181 -9.656 1.00 24.02 N ATOM 0 H HIS A 22 -5.755 -6.362 -6.320 1.00 60.54 H new ATOM 0 HA HIS A 22 -6.478 -4.783 -8.520 1.00 53.33 H new ATOM 0 HB2 HIS A 22 -6.894 -7.753 -7.974 1.00 44.34 H new ATOM 0 HB3 HIS A 22 -7.077 -7.003 -9.547 1.00 44.34 H new ATOM 0 HD2 HIS A 22 -4.651 -6.293 -10.833 1.00 4.12 H new ATOM 0 HE1 HIS A 22 -2.124 -8.147 -7.978 1.00 71.31 H new ATOM 0 HE2 HIS A 22 -2.222 -7.063 -10.274 1.00 24.02 H new ATOM 326 N TYR A 23 -8.984 -5.690 -6.682 1.00 13.31 N ATOM 327 CA TYR A 23 -10.417 -5.493 -6.445 1.00 64.22 C ATOM 328 C TYR A 23 -10.793 -4.000 -6.484 1.00 21.44 C ATOM 329 O TYR A 23 -11.895 -3.638 -6.892 1.00 24.42 O ATOM 330 CB TYR A 23 -10.811 -6.114 -5.093 1.00 22.33 C ATOM 331 CG TYR A 23 -12.250 -5.866 -4.679 1.00 1.24 C ATOM 332 CD1 TYR A 23 -13.308 -6.373 -5.427 1.00 24.11 C ATOM 333 CD2 TYR A 23 -12.549 -5.137 -3.532 1.00 53.52 C ATOM 334 CE1 TYR A 23 -14.618 -6.156 -5.048 1.00 62.15 C ATOM 335 CE2 TYR A 23 -13.856 -4.916 -3.148 1.00 21.34 C ATOM 336 CZ TYR A 23 -14.884 -5.429 -3.906 1.00 23.53 C ATOM 337 OH TYR A 23 -16.187 -5.212 -3.521 1.00 12.11 O ATOM 0 H TYR A 23 -8.474 -6.049 -5.875 1.00 13.31 H new ATOM 0 HA TYR A 23 -10.968 -5.991 -7.243 1.00 64.22 H new ATOM 0 HB2 TYR A 23 -10.640 -7.190 -5.139 1.00 22.33 H new ATOM 0 HB3 TYR A 23 -10.151 -5.719 -4.321 1.00 22.33 H new ATOM 0 HD1 TYR A 23 -13.101 -6.946 -6.319 1.00 24.11 H new ATOM 0 HD2 TYR A 23 -11.745 -4.737 -2.932 1.00 53.52 H new ATOM 0 HE1 TYR A 23 -15.429 -6.553 -5.641 1.00 62.15 H new ATOM 0 HE2 TYR A 23 -14.071 -4.344 -2.258 1.00 21.34 H new ATOM 0 HH TYR A 23 -16.201 -4.684 -2.696 1.00 12.11 H new ATOM 347 N GLY A 24 -9.864 -3.139 -6.070 1.00 33.55 N ATOM 348 CA GLY A 24 -10.107 -1.697 -6.080 1.00 43.42 C ATOM 349 C GLY A 24 -10.123 -1.074 -4.687 1.00 70.30 C ATOM 350 O GLY A 24 -10.302 0.138 -4.549 1.00 1.11 O ATOM 0 H GLY A 24 -8.943 -3.412 -5.726 1.00 33.55 H new ATOM 0 HA2 GLY A 24 -9.337 -1.211 -6.678 1.00 43.42 H new ATOM 0 HA3 GLY A 24 -11.061 -1.501 -6.569 1.00 43.42 H new ATOM 354 N GLY A 25 -9.932 -1.895 -3.656 1.00 43.31 N ATOM 355 CA GLY A 25 -9.921 -1.396 -2.282 1.00 75.54 C ATOM 356 C GLY A 25 -8.727 -0.491 -1.986 1.00 2.32 C ATOM 357 O GLY A 25 -7.611 -0.765 -2.425 1.00 32.32 O ATOM 0 H GLY A 25 -9.784 -2.900 -3.744 1.00 43.31 H new ATOM 0 HA2 GLY A 25 -10.843 -0.846 -2.094 1.00 75.54 H new ATOM 0 HA3 GLY A 25 -9.909 -2.241 -1.594 1.00 75.54 H new ATOM 361 N TYR A 26 -8.962 0.583 -1.231 1.00 22.23 N ATOM 362 CA TYR A 26 -7.922 1.584 -0.939 1.00 54.10 C ATOM 363 C TYR A 26 -7.733 1.794 0.573 1.00 62.33 C ATOM 364 O TYR A 26 -8.692 2.048 1.302 1.00 72.22 O ATOM 365 CB TYR A 26 -8.289 2.912 -1.619 1.00 41.43 C ATOM 366 CG TYR A 26 -7.389 4.083 -1.258 1.00 42.21 C ATOM 367 CD1 TYR A 26 -6.127 4.212 -1.824 1.00 52.12 C ATOM 368 CD2 TYR A 26 -7.808 5.069 -0.365 1.00 61.11 C ATOM 369 CE1 TYR A 26 -5.309 5.278 -1.508 1.00 53.10 C ATOM 370 CE2 TYR A 26 -6.995 6.140 -0.049 1.00 71.51 C ATOM 371 CZ TYR A 26 -5.747 6.240 -0.625 1.00 13.43 C ATOM 372 OH TYR A 26 -4.934 7.309 -0.323 1.00 44.03 O ATOM 0 H TYR A 26 -9.867 0.787 -0.806 1.00 22.23 H new ATOM 0 HA TYR A 26 -6.975 1.214 -1.333 1.00 54.10 H new ATOM 0 HB2 TYR A 26 -8.262 2.771 -2.699 1.00 41.43 H new ATOM 0 HB3 TYR A 26 -9.316 3.167 -1.357 1.00 41.43 H new ATOM 0 HD1 TYR A 26 -5.780 3.466 -2.523 1.00 52.12 H new ATOM 0 HD2 TYR A 26 -8.786 4.994 0.088 1.00 61.11 H new ATOM 0 HE1 TYR A 26 -4.328 5.358 -1.952 1.00 53.10 H new ATOM 0 HE2 TYR A 26 -7.335 6.894 0.645 1.00 71.51 H new ATOM 0 HH TYR A 26 -4.816 7.366 0.648 1.00 44.03 H new ATOM 382 N LEU A 27 -6.487 1.689 1.031 1.00 24.00 N ATOM 383 CA LEU A 27 -6.138 1.919 2.442 1.00 12.22 C ATOM 384 C LEU A 27 -4.827 2.724 2.555 1.00 0.14 C ATOM 385 O LEU A 27 -4.032 2.758 1.618 1.00 3.22 O ATOM 386 CB LEU A 27 -5.985 0.574 3.180 1.00 63.13 C ATOM 387 CG LEU A 27 -7.256 -0.290 3.282 1.00 1.43 C ATOM 388 CD1 LEU A 27 -6.939 -1.638 3.927 1.00 30.01 C ATOM 389 CD2 LEU A 27 -8.344 0.439 4.072 1.00 33.53 C ATOM 0 H LEU A 27 -5.691 1.444 0.443 1.00 24.00 H new ATOM 0 HA LEU A 27 -6.943 2.492 2.902 1.00 12.22 H new ATOM 0 HB2 LEU A 27 -5.214 -0.008 2.676 1.00 63.13 H new ATOM 0 HB3 LEU A 27 -5.625 0.775 4.189 1.00 63.13 H new ATOM 0 HG LEU A 27 -7.628 -0.469 2.273 1.00 1.43 H new ATOM 0 HD11 LEU A 27 -7.849 -2.234 3.990 1.00 30.01 H new ATOM 0 HD12 LEU A 27 -6.201 -2.166 3.323 1.00 30.01 H new ATOM 0 HD13 LEU A 27 -6.540 -1.477 4.929 1.00 30.01 H new ATOM 0 HD21 LEU A 27 -9.233 -0.189 4.132 1.00 33.53 H new ATOM 0 HD22 LEU A 27 -7.982 0.653 5.078 1.00 33.53 H new ATOM 0 HD23 LEU A 27 -8.594 1.374 3.570 1.00 33.53 H new ATOM 401 N CYS A 28 -4.613 3.382 3.692 1.00 12.23 N ATOM 402 CA CYS A 28 -3.346 4.091 3.958 1.00 71.15 C ATOM 403 C CYS A 28 -2.799 3.734 5.347 1.00 3.15 C ATOM 404 O CYS A 28 -3.526 3.776 6.338 1.00 20.24 O ATOM 405 CB CYS A 28 -3.522 5.614 3.833 1.00 14.32 C ATOM 406 SG CYS A 28 -3.806 6.188 2.121 1.00 44.35 S ATOM 0 H CYS A 28 -5.295 3.444 4.448 1.00 12.23 H new ATOM 0 HA CYS A 28 -2.626 3.767 3.206 1.00 71.15 H new ATOM 0 HB2 CYS A 28 -4.362 5.925 4.454 1.00 14.32 H new ATOM 0 HB3 CYS A 28 -2.634 6.106 4.228 1.00 14.32 H new ATOM 411 N LEU A 29 -1.516 3.373 5.404 1.00 24.42 N ATOM 412 CA LEU A 29 -0.863 2.967 6.661 1.00 43.51 C ATOM 413 C LEU A 29 0.323 3.883 7.010 1.00 32.45 C ATOM 414 O LEU A 29 1.029 4.344 6.124 1.00 72.12 O ATOM 415 CB LEU A 29 -0.373 1.516 6.546 1.00 72.44 C ATOM 416 CG LEU A 29 -1.475 0.445 6.513 1.00 42.35 C ATOM 417 CD1 LEU A 29 -0.864 -0.946 6.416 1.00 32.02 C ATOM 418 CD2 LEU A 29 -2.379 0.552 7.741 1.00 61.12 C ATOM 0 H LEU A 29 -0.900 3.352 4.591 1.00 24.42 H new ATOM 0 HA LEU A 29 -1.600 3.051 7.460 1.00 43.51 H new ATOM 0 HB2 LEU A 29 0.226 1.424 5.640 1.00 72.44 H new ATOM 0 HB3 LEU A 29 0.288 1.306 7.387 1.00 72.44 H new ATOM 0 HG LEU A 29 -2.088 0.616 5.628 1.00 42.35 H new ATOM 0 HD11 LEU A 29 -1.659 -1.692 6.394 1.00 32.02 H new ATOM 0 HD12 LEU A 29 -0.271 -1.020 5.504 1.00 32.02 H new ATOM 0 HD13 LEU A 29 -0.224 -1.123 7.280 1.00 32.02 H new ATOM 0 HD21 LEU A 29 -3.150 -0.217 7.693 1.00 61.12 H new ATOM 0 HD22 LEU A 29 -1.784 0.414 8.644 1.00 61.12 H new ATOM 0 HD23 LEU A 29 -2.848 1.536 7.763 1.00 61.12 H new ATOM 430 N PRO A 30 0.570 4.143 8.311 1.00 41.40 N ATOM 431 CA PRO A 30 1.688 4.998 8.759 1.00 65.43 C ATOM 432 C PRO A 30 3.034 4.604 8.112 1.00 13.31 C ATOM 433 O PRO A 30 3.452 3.447 8.175 1.00 32.30 O ATOM 434 CB PRO A 30 1.723 4.783 10.289 1.00 52.32 C ATOM 435 CG PRO A 30 0.821 3.616 10.549 1.00 54.11 C ATOM 436 CD PRO A 30 -0.202 3.632 9.450 1.00 54.32 C ATOM 0 HA PRO A 30 1.541 6.039 8.472 1.00 65.43 H new ATOM 0 HB2 PRO A 30 2.737 4.580 10.634 1.00 52.32 H new ATOM 0 HB3 PRO A 30 1.378 5.671 10.818 1.00 52.32 H new ATOM 0 HG2 PRO A 30 1.382 2.681 10.547 1.00 54.11 H new ATOM 0 HG3 PRO A 30 0.346 3.700 11.526 1.00 54.11 H new ATOM 0 HD2 PRO A 30 -0.605 2.638 9.255 1.00 54.32 H new ATOM 0 HD3 PRO A 30 -1.047 4.277 9.691 1.00 54.32 H new ATOM 444 N ARG A 31 3.710 5.575 7.492 1.00 34.25 N ATOM 445 CA ARG A 31 4.963 5.307 6.767 1.00 2.24 C ATOM 446 C ARG A 31 6.163 5.152 7.725 1.00 70.43 C ATOM 447 O ARG A 31 7.294 4.923 7.286 1.00 1.41 O ATOM 448 CB ARG A 31 5.227 6.425 5.744 1.00 72.54 C ATOM 449 CG ARG A 31 6.380 6.138 4.787 1.00 62.32 C ATOM 450 CD ARG A 31 6.582 7.264 3.781 1.00 4.24 C ATOM 451 NE ARG A 31 7.769 7.040 2.959 1.00 34.31 N ATOM 452 CZ ARG A 31 8.145 7.805 1.972 1.00 10.22 C ATOM 453 NH1 ARG A 31 7.443 8.835 1.621 1.00 15.23 N ATOM 454 NH2 ARG A 31 9.240 7.535 1.343 1.00 50.11 N ATOM 0 H ARG A 31 3.415 6.551 7.475 1.00 34.25 H new ATOM 0 HA ARG A 31 4.848 4.359 6.241 1.00 2.24 H new ATOM 0 HB2 ARG A 31 4.320 6.592 5.163 1.00 72.54 H new ATOM 0 HB3 ARG A 31 5.437 7.351 6.280 1.00 72.54 H new ATOM 0 HG2 ARG A 31 7.297 5.993 5.358 1.00 62.32 H new ATOM 0 HG3 ARG A 31 6.186 5.207 4.255 1.00 62.32 H new ATOM 0 HD2 ARG A 31 5.704 7.343 3.140 1.00 4.24 H new ATOM 0 HD3 ARG A 31 6.677 8.213 4.309 1.00 4.24 H new ATOM 0 HE ARG A 31 8.345 6.226 3.173 1.00 34.31 H new ATOM 0 HH11 ARG A 31 6.581 9.059 2.119 1.00 15.23 H new ATOM 0 HH12 ARG A 31 7.752 9.423 0.847 1.00 15.23 H new ATOM 0 HH21 ARG A 31 9.802 6.730 1.620 1.00 50.11 H new ATOM 0 HH22 ARG A 31 9.543 8.127 0.570 1.00 50.11 H new ATOM 468 N SER A 32 5.907 5.262 9.030 1.00 31.41 N ATOM 469 CA SER A 32 6.946 5.053 10.055 1.00 31.22 C ATOM 470 C SER A 32 7.700 3.735 9.832 1.00 62.45 C ATOM 471 O SER A 32 8.893 3.631 10.132 1.00 62.30 O ATOM 472 CB SER A 32 6.325 5.053 11.458 1.00 63.24 C ATOM 473 OG SER A 32 5.319 4.056 11.584 1.00 73.30 O ATOM 0 H SER A 32 4.989 5.495 9.408 1.00 31.41 H new ATOM 0 HA SER A 32 7.656 5.876 9.970 1.00 31.22 H new ATOM 0 HB2 SER A 32 7.104 4.881 12.201 1.00 63.24 H new ATOM 0 HB3 SER A 32 5.895 6.033 11.667 1.00 63.24 H new ATOM 0 HG SER A 32 4.945 4.081 12.489 1.00 73.30 H new ATOM 479 N ALA A 33 6.996 2.728 9.322 1.00 10.51 N ATOM 480 CA ALA A 33 7.626 1.467 8.925 1.00 2.22 C ATOM 481 C ALA A 33 7.369 1.163 7.440 1.00 74.21 C ATOM 482 O ALA A 33 6.245 0.837 7.045 1.00 74.02 O ATOM 483 CB ALA A 33 7.105 0.325 9.796 1.00 32.33 C ATOM 0 H ALA A 33 5.987 2.759 9.173 1.00 10.51 H new ATOM 0 HA ALA A 33 8.702 1.563 9.068 1.00 2.22 H new ATOM 0 HB1 ALA A 33 7.579 -0.609 9.493 1.00 32.33 H new ATOM 0 HB2 ALA A 33 7.339 0.529 10.841 1.00 32.33 H new ATOM 0 HB3 ALA A 33 6.025 0.239 9.676 1.00 32.33 H new ATOM 753 N HIS A 53 8.230 -6.824 -1.016 1.00 54.40 N ATOM 754 CA HIS A 53 7.443 -5.821 -0.287 1.00 30.42 C ATOM 755 C HIS A 53 7.047 -6.367 1.100 1.00 62.02 C ATOM 756 O HIS A 53 6.818 -7.567 1.257 1.00 72.51 O ATOM 757 CB HIS A 53 6.186 -5.431 -1.087 1.00 1.34 C ATOM 758 CG HIS A 53 6.435 -4.445 -2.198 1.00 54.32 C ATOM 759 ND1 HIS A 53 7.121 -4.755 -3.352 1.00 23.33 N ATOM 760 CD2 HIS A 53 6.062 -3.146 -2.329 1.00 53.40 C ATOM 761 CE1 HIS A 53 7.156 -3.699 -4.142 1.00 30.03 C ATOM 762 NE2 HIS A 53 6.522 -2.712 -3.547 1.00 65.33 N ATOM 0 HA HIS A 53 8.055 -4.929 -0.154 1.00 30.42 H new ATOM 0 HB2 HIS A 53 5.746 -6.334 -1.511 1.00 1.34 H new ATOM 0 HB3 HIS A 53 5.451 -5.009 -0.402 1.00 1.34 H new ATOM 0 HD2 HIS A 53 5.507 -2.563 -1.609 1.00 53.40 H new ATOM 0 HE1 HIS A 53 7.626 -3.653 -5.113 1.00 30.03 H new ATOM 0 HE2 HIS A 53 6.393 -1.775 -3.929 1.00 65.33 H new ATOM 771 N PRO A 54 6.963 -5.496 2.126 1.00 44.21 N ATOM 772 CA PRO A 54 6.665 -5.930 3.506 1.00 33.20 C ATOM 773 C PRO A 54 5.217 -6.413 3.705 1.00 72.53 C ATOM 774 O PRO A 54 4.951 -7.265 4.554 1.00 11.01 O ATOM 775 CB PRO A 54 6.931 -4.666 4.332 1.00 15.11 C ATOM 776 CG PRO A 54 6.704 -3.537 3.385 1.00 4.21 C ATOM 777 CD PRO A 54 7.158 -4.033 2.037 1.00 41.42 C ATOM 0 HA PRO A 54 7.270 -6.791 3.791 1.00 33.20 H new ATOM 0 HB2 PRO A 54 6.260 -4.605 5.189 1.00 15.11 H new ATOM 0 HB3 PRO A 54 7.948 -4.656 4.723 1.00 15.11 H new ATOM 0 HG2 PRO A 54 5.652 -3.251 3.362 1.00 4.21 H new ATOM 0 HG3 PRO A 54 7.268 -2.654 3.687 1.00 4.21 H new ATOM 0 HD2 PRO A 54 6.569 -3.598 1.230 1.00 41.42 H new ATOM 0 HD3 PRO A 54 8.200 -3.778 1.845 1.00 41.42 H new ATOM 785 N ASN A 55 4.290 -5.856 2.923 1.00 40.41 N ATOM 786 CA ASN A 55 2.854 -6.164 3.046 1.00 23.14 C ATOM 787 C ASN A 55 2.337 -6.023 4.494 1.00 2.12 C ATOM 788 O ASN A 55 1.870 -6.991 5.099 1.00 24.44 O ATOM 789 CB ASN A 55 2.541 -7.562 2.496 1.00 4.34 C ATOM 790 CG ASN A 55 2.687 -7.630 0.987 1.00 4.22 C ATOM 791 OD1 ASN A 55 3.511 -6.944 0.394 1.00 63.20 O ATOM 792 ND2 ASN A 55 1.871 -8.445 0.349 1.00 15.13 N ATOM 0 H ASN A 55 4.506 -5.182 2.189 1.00 40.41 H new ATOM 0 HA ASN A 55 2.326 -5.424 2.445 1.00 23.14 H new ATOM 0 HB2 ASN A 55 3.209 -8.290 2.957 1.00 4.34 H new ATOM 0 HB3 ASN A 55 1.525 -7.841 2.774 1.00 4.34 H new ATOM 0 HD21 ASN A 55 1.915 -8.518 -0.667 1.00 15.13 H new ATOM 0 HD22 ASN A 55 1.196 -9.003 0.872 1.00 15.13 H new ATOM 799 N PRO A 56 2.422 -4.805 5.075 1.00 45.04 N ATOM 800 CA PRO A 56 1.878 -4.521 6.413 1.00 3.22 C ATOM 801 C PRO A 56 0.345 -4.442 6.401 1.00 54.34 C ATOM 802 O PRO A 56 -0.310 -4.482 7.445 1.00 33.35 O ATOM 803 CB PRO A 56 2.501 -3.166 6.773 1.00 74.34 C ATOM 804 CG PRO A 56 2.751 -2.503 5.461 1.00 23.15 C ATOM 805 CD PRO A 56 3.051 -3.608 4.475 1.00 34.24 C ATOM 0 HA PRO A 56 2.114 -5.304 7.133 1.00 3.22 H new ATOM 0 HB2 PRO A 56 1.829 -2.574 7.394 1.00 74.34 H new ATOM 0 HB3 PRO A 56 3.426 -3.293 7.335 1.00 74.34 H new ATOM 0 HG2 PRO A 56 1.882 -1.926 5.145 1.00 23.15 H new ATOM 0 HG3 PRO A 56 3.587 -1.807 5.531 1.00 23.15 H new ATOM 0 HD2 PRO A 56 2.635 -3.389 3.492 1.00 34.24 H new ATOM 0 HD3 PRO A 56 4.124 -3.745 4.344 1.00 34.24 H new ATOM 813 N CYS A 57 -0.214 -4.327 5.198 1.00 42.23 N ATOM 814 CA CYS A 57 -1.652 -4.124 5.008 1.00 41.12 C ATOM 815 C CYS A 57 -2.394 -5.470 5.004 1.00 52.00 C ATOM 816 O CYS A 57 -1.865 -6.466 4.506 1.00 41.54 O ATOM 817 CB CYS A 57 -1.891 -3.402 3.671 1.00 24.10 C ATOM 818 SG CYS A 57 -0.503 -2.330 3.154 1.00 53.54 S ATOM 0 H CYS A 57 0.315 -4.372 4.327 1.00 42.23 H new ATOM 0 HA CYS A 57 -2.033 -3.520 5.831 1.00 41.12 H new ATOM 0 HB2 CYS A 57 -2.073 -4.145 2.895 1.00 24.10 H new ATOM 0 HB3 CYS A 57 -2.794 -2.798 3.751 1.00 24.10 H new ATOM 823 N PRO A 58 -3.629 -5.506 5.556 1.00 70.43 N ATOM 824 CA PRO A 58 -4.425 -6.745 5.686 1.00 11.45 C ATOM 825 C PRO A 58 -4.361 -7.667 4.451 1.00 32.33 C ATOM 826 O PRO A 58 -4.424 -7.198 3.308 1.00 42.10 O ATOM 827 CB PRO A 58 -5.844 -6.208 5.886 1.00 52.40 C ATOM 828 CG PRO A 58 -5.649 -4.921 6.616 1.00 0.44 C ATOM 829 CD PRO A 58 -4.355 -4.336 6.099 1.00 71.02 C ATOM 0 HA PRO A 58 -4.055 -7.376 6.494 1.00 11.45 H new ATOM 0 HB2 PRO A 58 -6.349 -6.053 4.933 1.00 52.40 H new ATOM 0 HB3 PRO A 58 -6.456 -6.903 6.461 1.00 52.40 H new ATOM 0 HG2 PRO A 58 -6.482 -4.242 6.437 1.00 0.44 H new ATOM 0 HG3 PRO A 58 -5.599 -5.087 7.692 1.00 0.44 H new ATOM 0 HD2 PRO A 58 -4.535 -3.585 5.330 1.00 71.02 H new ATOM 0 HD3 PRO A 58 -3.791 -3.849 6.894 1.00 71.02 H new ATOM 837 N PRO A 59 -4.218 -8.996 4.666 1.00 2.11 N ATOM 838 CA PRO A 59 -4.173 -9.982 3.569 1.00 20.04 C ATOM 839 C PRO A 59 -5.295 -9.771 2.541 1.00 63.41 C ATOM 840 O PRO A 59 -6.471 -9.661 2.898 1.00 54.02 O ATOM 841 CB PRO A 59 -4.344 -11.317 4.300 1.00 73.34 C ATOM 842 CG PRO A 59 -3.746 -11.074 5.645 1.00 24.40 C ATOM 843 CD PRO A 59 -4.079 -9.643 5.988 1.00 22.50 C ATOM 0 HA PRO A 59 -3.254 -9.912 2.988 1.00 20.04 H new ATOM 0 HB2 PRO A 59 -5.394 -11.598 4.376 1.00 73.34 H new ATOM 0 HB3 PRO A 59 -3.834 -12.126 3.777 1.00 73.34 H new ATOM 0 HG2 PRO A 59 -4.157 -11.760 6.386 1.00 24.40 H new ATOM 0 HG3 PRO A 59 -2.668 -11.232 5.628 1.00 24.40 H new ATOM 0 HD2 PRO A 59 -4.999 -9.573 6.568 1.00 22.50 H new ATOM 0 HD3 PRO A 59 -3.292 -9.179 6.582 1.00 22.50 H new ATOM 851 N GLY A 60 -4.926 -9.719 1.265 1.00 4.13 N ATOM 852 CA GLY A 60 -5.876 -9.368 0.217 1.00 2.42 C ATOM 853 C GLY A 60 -5.586 -7.998 -0.387 1.00 61.35 C ATOM 854 O GLY A 60 -6.133 -7.644 -1.431 1.00 72.43 O ATOM 0 H GLY A 60 -3.981 -9.914 0.934 1.00 4.13 H new ATOM 0 HA2 GLY A 60 -5.844 -10.124 -0.568 1.00 2.42 H new ATOM 0 HA3 GLY A 60 -6.886 -9.376 0.627 1.00 2.42 H new ATOM 858 N TYR A 61 -4.740 -7.219 0.290 1.00 54.02 N ATOM 859 CA TYR A 61 -4.264 -5.925 -0.221 1.00 32.02 C ATOM 860 C TYR A 61 -2.742 -5.955 -0.434 1.00 12.03 C ATOM 861 O TYR A 61 -2.021 -6.652 0.284 1.00 20.54 O ATOM 862 CB TYR A 61 -4.620 -4.793 0.758 1.00 62.01 C ATOM 863 CG TYR A 61 -6.110 -4.583 0.956 1.00 52.42 C ATOM 864 CD1 TYR A 61 -6.812 -5.284 1.933 1.00 2.44 C ATOM 865 CD2 TYR A 61 -6.812 -3.677 0.169 1.00 70.53 C ATOM 866 CE1 TYR A 61 -8.170 -5.089 2.117 1.00 22.45 C ATOM 867 CE2 TYR A 61 -8.168 -3.475 0.349 1.00 22.23 C ATOM 868 CZ TYR A 61 -8.842 -4.183 1.323 1.00 35.42 C ATOM 869 OH TYR A 61 -10.192 -3.982 1.507 1.00 4.20 O ATOM 0 H TYR A 61 -4.364 -7.464 1.206 1.00 54.02 H new ATOM 0 HA TYR A 61 -4.756 -5.740 -1.176 1.00 32.02 H new ATOM 0 HB2 TYR A 61 -4.164 -5.008 1.724 1.00 62.01 H new ATOM 0 HB3 TYR A 61 -4.179 -3.864 0.397 1.00 62.01 H new ATOM 0 HD1 TYR A 61 -6.288 -5.992 2.558 1.00 2.44 H new ATOM 0 HD2 TYR A 61 -6.289 -3.122 -0.596 1.00 70.53 H new ATOM 0 HE1 TYR A 61 -8.700 -5.643 2.878 1.00 22.45 H new ATOM 0 HE2 TYR A 61 -8.697 -2.766 -0.270 1.00 22.23 H new ATOM 0 HH TYR A 61 -10.513 -3.312 0.868 1.00 4.20 H new ATOM 879 N GLU A 62 -2.254 -5.198 -1.414 1.00 13.21 N ATOM 880 CA GLU A 62 -0.815 -5.135 -1.705 1.00 20.33 C ATOM 881 C GLU A 62 -0.302 -3.679 -1.698 1.00 23.32 C ATOM 882 O GLU A 62 -1.037 -2.746 -2.031 1.00 63.52 O ATOM 883 CB GLU A 62 -0.526 -5.820 -3.054 1.00 61.41 C ATOM 884 CG GLU A 62 -1.255 -5.199 -4.242 1.00 34.35 C ATOM 885 CD GLU A 62 -1.158 -6.046 -5.503 1.00 1.01 C ATOM 886 OE1 GLU A 62 -1.976 -6.982 -5.657 1.00 75.30 O ATOM 887 OE2 GLU A 62 -0.268 -5.793 -6.341 1.00 31.34 O ATOM 0 H GLU A 62 -2.831 -4.618 -2.023 1.00 13.21 H new ATOM 0 HA GLU A 62 -0.279 -5.667 -0.919 1.00 20.33 H new ATOM 0 HB2 GLU A 62 0.547 -5.786 -3.243 1.00 61.41 H new ATOM 0 HB3 GLU A 62 -0.804 -6.871 -2.981 1.00 61.41 H new ATOM 0 HG2 GLU A 62 -2.305 -5.058 -3.985 1.00 34.35 H new ATOM 0 HG3 GLU A 62 -0.840 -4.211 -4.441 1.00 34.35 H new ATOM 894 N PRO A 63 0.966 -3.457 -1.287 1.00 53.53 N ATOM 895 CA PRO A 63 1.555 -2.110 -1.216 1.00 73.23 C ATOM 896 C PRO A 63 1.816 -1.491 -2.599 1.00 52.21 C ATOM 897 O PRO A 63 2.601 -2.016 -3.393 1.00 45.23 O ATOM 898 CB PRO A 63 2.885 -2.326 -0.458 1.00 31.51 C ATOM 899 CG PRO A 63 2.807 -3.715 0.093 1.00 41.02 C ATOM 900 CD PRO A 63 1.921 -4.482 -0.850 1.00 15.43 C ATOM 0 HA PRO A 63 0.879 -1.410 -0.725 1.00 73.23 H new ATOM 0 HB2 PRO A 63 3.740 -2.215 -1.125 1.00 31.51 H new ATOM 0 HB3 PRO A 63 3.006 -1.593 0.340 1.00 31.51 H new ATOM 0 HG2 PRO A 63 3.797 -4.167 0.154 1.00 41.02 H new ATOM 0 HG3 PRO A 63 2.395 -3.713 1.102 1.00 41.02 H new ATOM 0 HD2 PRO A 63 2.482 -4.898 -1.687 1.00 15.43 H new ATOM 0 HD3 PRO A 63 1.424 -5.315 -0.354 1.00 15.43 H new ATOM 908 N ASP A 64 1.155 -0.372 -2.871 1.00 32.51 N ATOM 909 CA ASP A 64 1.329 0.357 -4.126 1.00 53.24 C ATOM 910 C ASP A 64 2.374 1.468 -3.949 1.00 23.40 C ATOM 911 O ASP A 64 2.256 2.305 -3.050 1.00 13.30 O ATOM 912 CB ASP A 64 -0.021 0.937 -4.569 1.00 13.55 C ATOM 913 CG ASP A 64 0.020 1.552 -5.958 1.00 30.11 C ATOM 914 OD1 ASP A 64 0.338 0.827 -6.925 1.00 54.32 O ATOM 915 OD2 ASP A 64 -0.299 2.751 -6.099 1.00 71.24 O ATOM 0 H ASP A 64 0.485 0.056 -2.232 1.00 32.51 H new ATOM 0 HA ASP A 64 1.688 -0.323 -4.899 1.00 53.24 H new ATOM 0 HB2 ASP A 64 -0.772 0.148 -4.550 1.00 13.55 H new ATOM 0 HB3 ASP A 64 -0.337 1.695 -3.852 1.00 13.55 H new ATOM 920 N ASP A 65 3.400 1.468 -4.795 1.00 24.21 N ATOM 921 CA ASP A 65 4.497 2.427 -4.669 1.00 15.52 C ATOM 922 C ASP A 65 4.142 3.772 -5.313 1.00 63.44 C ATOM 923 O ASP A 65 3.753 3.836 -6.484 1.00 45.45 O ATOM 924 CB ASP A 65 5.780 1.863 -5.292 1.00 42.31 C ATOM 925 CG ASP A 65 6.224 0.565 -4.636 1.00 21.24 C ATOM 926 OD1 ASP A 65 6.565 0.584 -3.435 1.00 21.21 O ATOM 927 OD2 ASP A 65 6.253 -0.476 -5.321 1.00 10.12 O ATOM 0 H ASP A 65 3.496 0.817 -5.574 1.00 24.21 H new ATOM 0 HA ASP A 65 4.666 2.597 -3.606 1.00 15.52 H new ATOM 0 HB2 ASP A 65 5.618 1.692 -6.356 1.00 42.31 H new ATOM 0 HB3 ASP A 65 6.577 2.601 -5.205 1.00 42.31 H new