USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 393 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 16 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 22 ASN : amide:sc= -0.957 K(o=-0.96,f=-0.048) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0.122 USER MOD Single : A 33 GLN : amide:sc= -0.0137 X(o=-0.014,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -156:sc= -0.421 (180deg=-0.524) USER MOD Single : A 61 SER OG : rot -170:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -120:sc= 0.389 (180deg=-0.33) USER MOD ----------------------------------------------------------------- ATOM 168 N PHE A 14 9.627 1.175 -21.900 1.00 0.00 N ATOM 169 CA PHE A 14 10.182 0.436 -20.772 1.00 0.00 C ATOM 170 C PHE A 14 9.103 -0.391 -20.079 1.00 0.00 C ATOM 171 O PHE A 14 7.937 0.002 -20.037 1.00 0.00 O ATOM 172 CB PHE A 14 10.825 1.398 -19.771 1.00 0.00 C ATOM 173 CG PHE A 14 12.073 2.055 -20.287 1.00 0.00 C ATOM 174 CD1 PHE A 14 12.005 3.013 -21.285 1.00 0.00 C ATOM 175 CD2 PHE A 14 13.314 1.715 -19.773 1.00 0.00 C ATOM 176 CE1 PHE A 14 13.152 3.619 -21.763 1.00 0.00 C ATOM 177 CE2 PHE A 14 14.464 2.318 -20.246 1.00 0.00 C ATOM 178 CZ PHE A 14 14.383 3.272 -21.242 1.00 0.00 C ATOM 0 HA PHE A 14 10.945 -0.242 -21.155 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.102 2.169 -19.504 1.00 0.00 H new ATOM 0 HB3 PHE A 14 11.062 0.853 -18.857 1.00 0.00 H new ATOM 0 HD1 PHE A 14 11.045 3.290 -21.695 1.00 0.00 H new ATOM 0 HD2 PHE A 14 13.383 0.970 -18.994 1.00 0.00 H new ATOM 0 HE1 PHE A 14 13.085 4.363 -22.543 1.00 0.00 H new ATOM 0 HE2 PHE A 14 15.425 2.044 -19.837 1.00 0.00 H new ATOM 0 HZ PHE A 14 15.280 3.745 -21.612 1.00 0.00 H new ATOM 188 N ILE A 15 9.501 -1.538 -19.539 1.00 0.00 N ATOM 189 CA ILE A 15 8.569 -2.421 -18.848 1.00 0.00 C ATOM 190 C ILE A 15 8.925 -2.549 -17.371 1.00 0.00 C ATOM 191 O ILE A 15 10.100 -2.557 -17.002 1.00 0.00 O ATOM 192 CB ILE A 15 8.546 -3.824 -19.483 1.00 0.00 C ATOM 193 CG1 ILE A 15 7.526 -4.713 -18.769 1.00 0.00 C ATOM 194 CG2 ILE A 15 9.931 -4.450 -19.432 1.00 0.00 C ATOM 195 CD1 ILE A 15 7.392 -6.090 -19.381 1.00 0.00 C ATOM 0 H ILE A 15 10.462 -1.878 -19.567 1.00 0.00 H new ATOM 0 HA ILE A 15 7.580 -1.972 -18.943 1.00 0.00 H new ATOM 0 HB ILE A 15 8.250 -3.730 -20.528 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.815 -4.816 -17.723 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.553 -4.221 -18.784 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.899 -5.441 -19.884 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.634 -3.823 -19.981 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.254 -4.535 -18.394 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.652 -6.665 -18.824 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.073 -5.997 -20.419 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.354 -6.601 -19.341 1.00 0.00 H new ATOM 207 N THR A 16 7.902 -2.650 -16.528 1.00 0.00 N ATOM 208 CA THR A 16 8.107 -2.779 -15.090 1.00 0.00 C ATOM 209 C THR A 16 8.741 -4.121 -14.743 1.00 0.00 C ATOM 210 O THR A 16 8.752 -5.043 -15.558 1.00 0.00 O ATOM 211 CB THR A 16 6.781 -2.635 -14.319 1.00 0.00 C ATOM 212 OG1 THR A 16 5.710 -2.370 -15.232 1.00 0.00 O ATOM 213 CG2 THR A 16 6.870 -1.515 -13.294 1.00 0.00 C ATOM 0 H THR A 16 6.923 -2.645 -16.816 1.00 0.00 H new ATOM 0 HA THR A 16 8.781 -1.975 -14.793 1.00 0.00 H new ATOM 0 HB THR A 16 6.587 -3.571 -13.795 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.870 -2.282 -14.734 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.922 -1.432 -12.762 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.667 -1.735 -12.583 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.085 -0.574 -13.801 1.00 0.00 H new ATOM 221 N GLY A 17 9.268 -4.224 -13.527 1.00 0.00 N ATOM 222 CA GLY A 17 9.896 -5.458 -13.093 1.00 0.00 C ATOM 223 C GLY A 17 8.894 -6.575 -12.878 1.00 0.00 C ATOM 224 O GLY A 17 8.876 -7.555 -13.622 1.00 0.00 O ATOM 0 H GLY A 17 9.271 -3.475 -12.835 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.629 -5.770 -13.837 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.440 -5.279 -12.166 1.00 0.00 H new ATOM 228 N VAL A 18 8.057 -6.427 -11.855 1.00 0.00 N ATOM 229 CA VAL A 18 7.047 -7.432 -11.543 1.00 0.00 C ATOM 230 C VAL A 18 6.210 -7.770 -12.772 1.00 0.00 C ATOM 231 O VAL A 18 5.723 -8.892 -12.914 1.00 0.00 O ATOM 232 CB VAL A 18 6.113 -6.956 -10.415 1.00 0.00 C ATOM 233 CG1 VAL A 18 5.327 -5.730 -10.853 1.00 0.00 C ATOM 234 CG2 VAL A 18 5.176 -8.077 -9.992 1.00 0.00 C ATOM 0 H VAL A 18 8.059 -5.622 -11.229 1.00 0.00 H new ATOM 0 HA VAL A 18 7.579 -8.324 -11.213 1.00 0.00 H new ATOM 0 HB VAL A 18 6.723 -6.678 -9.555 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.673 -5.409 -10.043 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.018 -4.925 -11.103 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.726 -5.977 -11.728 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.523 -7.724 -9.194 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.572 -8.388 -10.845 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.761 -8.924 -9.634 1.00 0.00 H new ATOM 244 N ARG A 19 6.048 -6.793 -13.658 1.00 0.00 N ATOM 245 CA ARG A 19 5.270 -6.987 -14.875 1.00 0.00 C ATOM 246 C ARG A 19 5.934 -8.014 -15.788 1.00 0.00 C ATOM 247 O ARG A 19 5.257 -8.805 -16.444 1.00 0.00 O ATOM 248 CB ARG A 19 5.106 -5.659 -15.618 1.00 0.00 C ATOM 249 CG ARG A 19 3.752 -5.004 -15.403 1.00 0.00 C ATOM 250 CD ARG A 19 2.642 -5.778 -16.096 1.00 0.00 C ATOM 251 NE ARG A 19 1.767 -6.453 -15.141 1.00 0.00 N ATOM 252 CZ ARG A 19 0.833 -5.828 -14.431 1.00 0.00 C ATOM 253 NH1 ARG A 19 0.655 -4.522 -14.568 1.00 0.00 N ATOM 254 NH2 ARG A 19 0.076 -6.511 -13.582 1.00 0.00 N ATOM 0 H ARG A 19 6.445 -5.859 -13.556 1.00 0.00 H new ATOM 0 HA ARG A 19 4.286 -7.361 -14.591 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.888 -4.972 -15.294 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.253 -5.829 -16.685 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.542 -4.942 -14.335 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.776 -3.983 -15.783 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.052 -5.096 -16.709 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.080 -6.514 -16.770 1.00 0.00 H new ATOM 0 HE ARG A 19 1.879 -7.459 -15.012 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.235 -3.994 -15.220 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.062 -4.045 -14.022 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.211 -7.516 -13.474 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.640 -6.031 -13.038 1.00 0.00 H new ATOM 268 N ALA A 20 7.262 -7.995 -15.823 1.00 0.00 N ATOM 269 CA ALA A 20 8.017 -8.925 -16.653 1.00 0.00 C ATOM 270 C ALA A 20 8.134 -10.290 -15.982 1.00 0.00 C ATOM 271 O ALA A 20 8.234 -11.316 -16.655 1.00 0.00 O ATOM 272 CB ALA A 20 9.399 -8.363 -16.953 1.00 0.00 C ATOM 0 H ALA A 20 7.837 -7.346 -15.286 1.00 0.00 H new ATOM 0 HA ALA A 20 7.478 -9.055 -17.591 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.952 -9.068 -17.574 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.299 -7.415 -17.482 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.937 -8.203 -16.019 1.00 0.00 H new ATOM 278 N ILE A 21 8.120 -10.293 -14.654 1.00 0.00 N ATOM 279 CA ILE A 21 8.224 -11.532 -13.893 1.00 0.00 C ATOM 280 C ILE A 21 6.930 -12.336 -13.971 1.00 0.00 C ATOM 281 O ILE A 21 6.936 -13.557 -13.825 1.00 0.00 O ATOM 282 CB ILE A 21 8.556 -11.259 -12.414 1.00 0.00 C ATOM 283 CG1 ILE A 21 9.848 -10.447 -12.301 1.00 0.00 C ATOM 284 CG2 ILE A 21 8.678 -12.567 -11.648 1.00 0.00 C ATOM 285 CD1 ILE A 21 10.153 -9.990 -10.891 1.00 0.00 C ATOM 0 H ILE A 21 8.038 -9.452 -14.083 1.00 0.00 H new ATOM 0 HA ILE A 21 9.035 -12.108 -14.339 1.00 0.00 H new ATOM 0 HB ILE A 21 7.744 -10.679 -11.976 1.00 0.00 H new ATOM 0 HG12 ILE A 21 10.679 -11.049 -12.667 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.777 -9.574 -12.950 1.00 0.00 H new ATOM 0 HG21 ILE A 21 8.913 -12.357 -10.605 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.735 -13.112 -11.705 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.473 -13.171 -12.084 1.00 0.00 H new ATOM 0 HD11 ILE A 21 11.082 -9.421 -10.886 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.340 -9.361 -10.529 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.257 -10.859 -10.241 1.00 0.00 H new ATOM 297 N ASN A 22 5.822 -11.640 -14.206 1.00 0.00 N ATOM 298 CA ASN A 22 4.519 -12.289 -14.305 1.00 0.00 C ATOM 299 C ASN A 22 4.198 -12.645 -15.754 1.00 0.00 C ATOM 300 O ASN A 22 3.440 -13.576 -16.021 1.00 0.00 O ATOM 301 CB ASN A 22 3.428 -11.379 -13.738 1.00 0.00 C ATOM 302 CG ASN A 22 3.198 -11.606 -12.257 1.00 0.00 C ATOM 303 OD1 ASN A 22 2.801 -12.694 -11.839 1.00 0.00 O ATOM 304 ND2 ASN A 22 3.447 -10.578 -11.455 1.00 0.00 N ATOM 0 H ASN A 22 5.800 -10.628 -14.331 1.00 0.00 H new ATOM 0 HA ASN A 22 4.554 -13.209 -13.722 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.704 -10.338 -13.905 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.497 -11.552 -14.278 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.311 -10.672 -10.449 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.775 -9.694 -11.845 1.00 0.00 H new ATOM 311 N GLU A 23 4.782 -11.896 -16.685 1.00 0.00 N ATOM 312 CA GLU A 23 4.557 -12.133 -18.106 1.00 0.00 C ATOM 313 C GLU A 23 5.546 -13.161 -18.649 1.00 0.00 C ATOM 314 O GLU A 23 5.152 -14.217 -19.145 1.00 0.00 O ATOM 315 CB GLU A 23 4.683 -10.825 -18.890 1.00 0.00 C ATOM 316 CG GLU A 23 3.410 -9.996 -18.898 1.00 0.00 C ATOM 317 CD GLU A 23 2.955 -9.637 -20.299 1.00 0.00 C ATOM 318 OE1 GLU A 23 2.656 -10.563 -21.081 1.00 0.00 O ATOM 319 OE2 GLU A 23 2.900 -8.430 -20.613 1.00 0.00 O ATOM 0 H GLU A 23 5.413 -11.121 -16.481 1.00 0.00 H new ATOM 0 HA GLU A 23 3.547 -12.525 -18.227 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.491 -10.231 -18.462 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.965 -11.053 -19.918 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.618 -10.549 -18.394 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.573 -9.082 -18.328 1.00 0.00 H new ATOM 326 N PHE A 24 6.833 -12.844 -18.552 1.00 0.00 N ATOM 327 CA PHE A 24 7.879 -13.738 -19.035 1.00 0.00 C ATOM 328 C PHE A 24 8.049 -14.931 -18.099 1.00 0.00 C ATOM 329 O PHE A 24 8.655 -15.939 -18.464 1.00 0.00 O ATOM 330 CB PHE A 24 9.204 -12.984 -19.165 1.00 0.00 C ATOM 331 CG PHE A 24 9.167 -11.877 -20.179 1.00 0.00 C ATOM 332 CD1 PHE A 24 8.589 -10.657 -19.871 1.00 0.00 C ATOM 333 CD2 PHE A 24 9.709 -12.058 -21.441 1.00 0.00 C ATOM 334 CE1 PHE A 24 8.553 -9.636 -20.802 1.00 0.00 C ATOM 335 CE2 PHE A 24 9.677 -11.041 -22.376 1.00 0.00 C ATOM 336 CZ PHE A 24 9.097 -9.828 -22.057 1.00 0.00 C ATOM 0 H PHE A 24 7.177 -11.975 -18.143 1.00 0.00 H new ATOM 0 HA PHE A 24 7.582 -14.108 -20.016 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.473 -12.568 -18.194 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.989 -13.689 -19.438 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.161 -10.501 -18.892 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.162 -13.005 -21.697 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.100 -8.689 -20.548 1.00 0.00 H new ATOM 0 HE2 PHE A 24 10.105 -11.194 -23.356 1.00 0.00 H new ATOM 0 HZ PHE A 24 9.069 -9.032 -22.787 1.00 0.00 H new ATOM 346 N CYS A 25 7.511 -14.809 -16.890 1.00 0.00 N ATOM 347 CA CYS A 25 7.604 -15.876 -15.900 1.00 0.00 C ATOM 348 C CYS A 25 9.061 -16.207 -15.593 1.00 0.00 C ATOM 349 O CYS A 25 9.521 -17.323 -15.838 1.00 0.00 O ATOM 350 CB CYS A 25 6.879 -17.126 -16.397 1.00 0.00 C ATOM 351 SG CYS A 25 5.097 -17.116 -16.092 1.00 0.00 S ATOM 0 H CYS A 25 7.006 -13.982 -16.572 1.00 0.00 H new ATOM 0 HA CYS A 25 7.128 -15.529 -14.983 1.00 0.00 H new ATOM 0 HB2 CYS A 25 7.053 -17.232 -17.468 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.314 -18.001 -15.915 1.00 0.00 H new ATOM 0 HG CYS A 25 4.572 -18.214 -16.550 1.00 0.00 H new ATOM 357 N LEU A 26 9.784 -15.230 -15.056 1.00 0.00 N ATOM 358 CA LEU A 26 11.190 -15.416 -14.716 1.00 0.00 C ATOM 359 C LEU A 26 11.395 -15.380 -13.205 1.00 0.00 C ATOM 360 O LEU A 26 10.433 -15.329 -12.438 1.00 0.00 O ATOM 361 CB LEU A 26 12.044 -14.337 -15.384 1.00 0.00 C ATOM 362 CG LEU A 26 11.825 -14.141 -16.885 1.00 0.00 C ATOM 363 CD1 LEU A 26 12.122 -12.704 -17.284 1.00 0.00 C ATOM 364 CD2 LEU A 26 12.689 -15.108 -17.681 1.00 0.00 C ATOM 0 H LEU A 26 9.419 -14.301 -14.847 1.00 0.00 H new ATOM 0 HA LEU A 26 11.500 -16.395 -15.083 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.853 -13.388 -14.882 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.094 -14.579 -15.219 1.00 0.00 H new ATOM 0 HG LEU A 26 10.779 -14.350 -17.111 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.961 -12.583 -18.355 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.460 -12.031 -16.739 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.158 -12.467 -17.044 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.520 -14.954 -18.747 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.740 -14.931 -17.451 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.427 -16.132 -17.416 1.00 0.00 H new ATOM 376 N LYS A 27 12.655 -15.405 -12.783 1.00 0.00 N ATOM 377 CA LYS A 27 12.988 -15.371 -11.364 1.00 0.00 C ATOM 378 C LYS A 27 13.417 -13.971 -10.939 1.00 0.00 C ATOM 379 O LYS A 27 13.980 -13.216 -11.732 1.00 0.00 O ATOM 380 CB LYS A 27 14.103 -16.373 -11.057 1.00 0.00 C ATOM 381 CG LYS A 27 13.646 -17.553 -10.216 1.00 0.00 C ATOM 382 CD LYS A 27 14.114 -18.873 -10.806 1.00 0.00 C ATOM 383 CE LYS A 27 13.055 -19.486 -11.709 1.00 0.00 C ATOM 384 NZ LYS A 27 13.644 -20.449 -12.680 1.00 0.00 N ATOM 0 H LYS A 27 13.463 -15.449 -13.404 1.00 0.00 H new ATOM 0 HA LYS A 27 12.096 -15.645 -10.800 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.515 -16.744 -11.995 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.910 -15.858 -10.536 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.032 -17.449 -9.202 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.558 -17.551 -10.145 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.031 -18.714 -11.374 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.354 -19.568 -10.001 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.309 -19.996 -11.099 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.537 -18.694 -12.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.890 -20.845 -13.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.338 -19.958 -13.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.116 -21.218 -12.163 1.00 0.00 H new ATOM 398 N SER A 28 13.149 -13.630 -9.682 1.00 0.00 N ATOM 399 CA SER A 28 13.506 -12.319 -9.153 1.00 0.00 C ATOM 400 C SER A 28 15.013 -12.093 -9.234 1.00 0.00 C ATOM 401 O SER A 28 15.477 -10.956 -9.322 1.00 0.00 O ATOM 402 CB SER A 28 13.036 -12.186 -7.703 1.00 0.00 C ATOM 403 OG SER A 28 11.787 -11.521 -7.631 1.00 0.00 O ATOM 0 H SER A 28 12.686 -14.244 -9.011 1.00 0.00 H new ATOM 0 HA SER A 28 13.009 -11.562 -9.759 1.00 0.00 H new ATOM 0 HB2 SER A 28 12.951 -13.175 -7.253 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.779 -11.635 -7.126 1.00 0.00 H new ATOM 0 HG SER A 28 11.508 -11.450 -6.694 1.00 0.00 H new ATOM 409 N SER A 29 15.771 -13.184 -9.203 1.00 0.00 N ATOM 410 CA SER A 29 17.226 -13.105 -9.268 1.00 0.00 C ATOM 411 C SER A 29 17.691 -12.830 -10.695 1.00 0.00 C ATOM 412 O SER A 29 18.759 -12.256 -10.911 1.00 0.00 O ATOM 413 CB SER A 29 17.852 -14.405 -8.758 1.00 0.00 C ATOM 414 OG SER A 29 16.905 -15.459 -8.753 1.00 0.00 O ATOM 0 H SER A 29 15.402 -14.133 -9.133 1.00 0.00 H new ATOM 0 HA SER A 29 17.549 -12.280 -8.633 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.699 -14.676 -9.388 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.239 -14.255 -7.750 1.00 0.00 H new ATOM 0 HG SER A 29 17.330 -16.279 -8.425 1.00 0.00 H new ATOM 420 N ASP A 30 16.882 -13.243 -11.664 1.00 0.00 N ATOM 421 CA ASP A 30 17.209 -13.041 -13.071 1.00 0.00 C ATOM 422 C ASP A 30 17.020 -11.580 -13.468 1.00 0.00 C ATOM 423 O ASP A 30 17.885 -10.983 -14.111 1.00 0.00 O ATOM 424 CB ASP A 30 16.340 -13.939 -13.953 1.00 0.00 C ATOM 425 CG ASP A 30 16.989 -15.281 -14.230 1.00 0.00 C ATOM 426 OD1 ASP A 30 18.182 -15.299 -14.598 1.00 0.00 O ATOM 427 OD2 ASP A 30 16.303 -16.313 -14.077 1.00 0.00 O ATOM 0 H ASP A 30 15.995 -13.720 -11.501 1.00 0.00 H new ATOM 0 HA ASP A 30 18.256 -13.306 -13.217 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.377 -14.098 -13.468 1.00 0.00 H new ATOM 0 HB3 ASP A 30 16.141 -13.433 -14.898 1.00 0.00 H new ATOM 432 N LEU A 31 15.884 -11.010 -13.082 1.00 0.00 N ATOM 433 CA LEU A 31 15.580 -9.618 -13.399 1.00 0.00 C ATOM 434 C LEU A 31 16.671 -8.690 -12.873 1.00 0.00 C ATOM 435 O LEU A 31 17.221 -7.880 -13.618 1.00 0.00 O ATOM 436 CB LEU A 31 14.228 -9.223 -12.804 1.00 0.00 C ATOM 437 CG LEU A 31 13.001 -9.532 -13.662 1.00 0.00 C ATOM 438 CD1 LEU A 31 12.956 -8.619 -14.878 1.00 0.00 C ATOM 439 CD2 LEU A 31 13.004 -10.993 -14.090 1.00 0.00 C ATOM 0 H LEU A 31 15.158 -11.489 -12.549 1.00 0.00 H new ATOM 0 HA LEU A 31 15.535 -9.519 -14.484 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.113 -9.730 -11.846 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.243 -8.153 -12.599 1.00 0.00 H new ATOM 0 HG LEU A 31 12.108 -9.351 -13.064 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.076 -8.854 -15.477 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.906 -7.580 -14.551 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.854 -8.768 -15.478 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.124 -11.195 -14.700 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.903 -11.200 -14.671 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.988 -11.631 -13.206 1.00 0.00 H new ATOM 451 N GLU A 32 16.978 -8.815 -11.586 1.00 0.00 N ATOM 452 CA GLU A 32 18.004 -7.988 -10.962 1.00 0.00 C ATOM 453 C GLU A 32 19.340 -8.141 -11.684 1.00 0.00 C ATOM 454 O GLU A 32 20.160 -7.224 -11.693 1.00 0.00 O ATOM 455 CB GLU A 32 18.163 -8.360 -9.487 1.00 0.00 C ATOM 456 CG GLU A 32 18.584 -9.803 -9.265 1.00 0.00 C ATOM 457 CD GLU A 32 18.992 -10.078 -7.830 1.00 0.00 C ATOM 458 OE1 GLU A 32 18.578 -9.309 -6.938 1.00 0.00 O ATOM 459 OE2 GLU A 32 19.725 -11.062 -7.601 1.00 0.00 O ATOM 0 H GLU A 32 16.531 -9.481 -10.955 1.00 0.00 H new ATOM 0 HA GLU A 32 17.689 -6.947 -11.034 1.00 0.00 H new ATOM 0 HB2 GLU A 32 18.902 -7.701 -9.032 1.00 0.00 H new ATOM 0 HB3 GLU A 32 17.219 -8.183 -8.972 1.00 0.00 H new ATOM 0 HG2 GLU A 32 17.761 -10.464 -9.538 1.00 0.00 H new ATOM 0 HG3 GLU A 32 19.416 -10.041 -9.927 1.00 0.00 H new ATOM 466 N GLN A 33 19.550 -9.307 -12.287 1.00 0.00 N ATOM 467 CA GLN A 33 20.786 -9.581 -13.009 1.00 0.00 C ATOM 468 C GLN A 33 20.937 -8.645 -14.204 1.00 0.00 C ATOM 469 O GLN A 33 22.051 -8.332 -14.625 1.00 0.00 O ATOM 470 CB GLN A 33 20.815 -11.036 -13.479 1.00 0.00 C ATOM 471 CG GLN A 33 22.213 -11.630 -13.534 1.00 0.00 C ATOM 472 CD GLN A 33 22.358 -12.864 -12.665 1.00 0.00 C ATOM 473 OE1 GLN A 33 23.157 -12.888 -11.729 1.00 0.00 O ATOM 474 NE2 GLN A 33 21.584 -13.898 -12.972 1.00 0.00 N ATOM 0 H GLN A 33 18.880 -10.076 -12.290 1.00 0.00 H new ATOM 0 HA GLN A 33 21.620 -9.410 -12.329 1.00 0.00 H new ATOM 0 HB2 GLN A 33 20.200 -11.638 -12.810 1.00 0.00 H new ATOM 0 HB3 GLN A 33 20.364 -11.098 -14.469 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.454 -11.886 -14.566 1.00 0.00 H new ATOM 0 HG3 GLN A 33 22.936 -10.879 -13.215 1.00 0.00 H new ATOM 0 HE21 GLN A 33 20.935 -13.834 -13.757 1.00 0.00 H new ATOM 0 HE22 GLN A 33 21.638 -14.756 -12.423 1.00 0.00 H new ATOM 483 N LEU A 34 19.809 -8.202 -14.748 1.00 0.00 N ATOM 484 CA LEU A 34 19.815 -7.302 -15.896 1.00 0.00 C ATOM 485 C LEU A 34 20.298 -5.912 -15.496 1.00 0.00 C ATOM 486 O LEU A 34 20.591 -5.659 -14.327 1.00 0.00 O ATOM 487 CB LEU A 34 18.415 -7.212 -16.506 1.00 0.00 C ATOM 488 CG LEU A 34 17.761 -8.541 -16.886 1.00 0.00 C ATOM 489 CD1 LEU A 34 16.299 -8.332 -17.250 1.00 0.00 C ATOM 490 CD2 LEU A 34 18.511 -9.195 -18.037 1.00 0.00 C ATOM 0 H LEU A 34 18.879 -8.451 -14.413 1.00 0.00 H new ATOM 0 HA LEU A 34 20.503 -7.706 -16.639 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.764 -6.699 -15.798 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.469 -6.588 -17.398 1.00 0.00 H new ATOM 0 HG LEU A 34 17.808 -9.206 -16.024 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.850 -9.289 -17.518 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.769 -7.908 -16.397 1.00 0.00 H new ATOM 0 HD13 LEU A 34 16.229 -7.649 -18.097 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.031 -10.140 -18.294 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.497 -8.533 -18.903 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.543 -9.381 -17.740 1.00 0.00 H new ATOM 502 N ARG A 35 20.377 -5.014 -16.472 1.00 0.00 N ATOM 503 CA ARG A 35 20.823 -3.649 -16.221 1.00 0.00 C ATOM 504 C ARG A 35 19.783 -2.876 -15.416 1.00 0.00 C ATOM 505 O ARG A 35 18.752 -2.463 -15.947 1.00 0.00 O ATOM 506 CB ARG A 35 21.099 -2.929 -17.542 1.00 0.00 C ATOM 507 CG ARG A 35 21.940 -1.673 -17.387 1.00 0.00 C ATOM 508 CD ARG A 35 22.394 -1.136 -18.735 1.00 0.00 C ATOM 509 NE ARG A 35 22.251 0.315 -18.824 1.00 0.00 N ATOM 510 CZ ARG A 35 22.510 1.013 -19.923 1.00 0.00 C ATOM 511 NH1 ARG A 35 22.923 0.397 -21.022 1.00 0.00 N ATOM 512 NH2 ARG A 35 22.355 2.331 -19.926 1.00 0.00 N ATOM 0 H ARG A 35 20.138 -5.207 -17.445 1.00 0.00 H new ATOM 0 HA ARG A 35 21.745 -3.696 -15.641 1.00 0.00 H new ATOM 0 HB2 ARG A 35 21.607 -3.615 -18.220 1.00 0.00 H new ATOM 0 HB3 ARG A 35 20.149 -2.665 -18.007 1.00 0.00 H new ATOM 0 HG2 ARG A 35 21.363 -0.909 -16.866 1.00 0.00 H new ATOM 0 HG3 ARG A 35 22.811 -1.891 -16.769 1.00 0.00 H new ATOM 0 HD2 ARG A 35 23.436 -1.408 -18.901 1.00 0.00 H new ATOM 0 HD3 ARG A 35 21.812 -1.607 -19.527 1.00 0.00 H new ATOM 0 HE ARG A 35 21.935 0.820 -17.996 1.00 0.00 H new ATOM 0 HH11 ARG A 35 23.042 -0.616 -21.025 1.00 0.00 H new ATOM 0 HH12 ARG A 35 23.121 0.936 -21.865 1.00 0.00 H new ATOM 0 HH21 ARG A 35 22.036 2.809 -19.083 1.00 0.00 H new ATOM 0 HH22 ARG A 35 22.554 2.866 -20.771 1.00 0.00 H new ATOM 526 N LYS A 36 20.059 -2.685 -14.131 1.00 0.00 N ATOM 527 CA LYS A 36 19.149 -1.962 -13.251 1.00 0.00 C ATOM 528 C LYS A 36 18.995 -0.512 -13.700 1.00 0.00 C ATOM 529 O LYS A 36 19.800 0.347 -13.340 1.00 0.00 O ATOM 530 CB LYS A 36 19.657 -2.008 -11.808 1.00 0.00 C ATOM 531 CG LYS A 36 19.423 -3.344 -11.124 1.00 0.00 C ATOM 532 CD LYS A 36 19.129 -3.169 -9.644 1.00 0.00 C ATOM 533 CE LYS A 36 20.188 -3.839 -8.782 1.00 0.00 C ATOM 534 NZ LYS A 36 20.024 -3.503 -7.340 1.00 0.00 N ATOM 0 H LYS A 36 20.907 -3.021 -13.675 1.00 0.00 H new ATOM 0 HA LYS A 36 18.174 -2.446 -13.302 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.724 -1.787 -11.800 1.00 0.00 H new ATOM 0 HB3 LYS A 36 19.165 -1.224 -11.233 1.00 0.00 H new ATOM 0 HG2 LYS A 36 18.590 -3.858 -11.603 1.00 0.00 H new ATOM 0 HG3 LYS A 36 20.302 -3.977 -11.249 1.00 0.00 H new ATOM 0 HD2 LYS A 36 19.082 -2.107 -9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 36 18.151 -3.591 -9.414 1.00 0.00 H new ATOM 0 HE2 LYS A 36 20.131 -4.920 -8.912 1.00 0.00 H new ATOM 0 HE3 LYS A 36 21.178 -3.529 -9.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 20.765 -3.979 -6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 20.103 -2.474 -7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 19.089 -3.821 -7.013 1.00 0.00 H new ATOM 782 N VAL A 51 13.420 0.046 -13.508 1.00 0.00 N ATOM 783 CA VAL A 51 12.793 -0.689 -14.600 1.00 0.00 C ATOM 784 C VAL A 51 13.821 -1.508 -15.373 1.00 0.00 C ATOM 785 O VAL A 51 15.006 -1.510 -15.040 1.00 0.00 O ATOM 786 CB VAL A 51 12.072 0.261 -15.575 1.00 0.00 C ATOM 787 CG1 VAL A 51 10.812 0.825 -14.937 1.00 0.00 C ATOM 788 CG2 VAL A 51 13.004 1.380 -16.014 1.00 0.00 C ATOM 0 HA VAL A 51 12.061 -1.360 -14.150 1.00 0.00 H new ATOM 0 HB VAL A 51 11.780 -0.306 -16.459 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.316 1.494 -15.640 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.139 0.008 -14.677 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.077 1.378 -14.036 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.479 2.042 -16.703 1.00 0.00 H new ATOM 0 HG22 VAL A 51 13.328 1.947 -15.141 1.00 0.00 H new ATOM 0 HG23 VAL A 51 13.874 0.954 -16.513 1.00 0.00 H new ATOM 798 N TYR A 52 13.359 -2.202 -16.407 1.00 0.00 N ATOM 799 CA TYR A 52 14.238 -3.027 -17.227 1.00 0.00 C ATOM 800 C TYR A 52 13.966 -2.804 -18.712 1.00 0.00 C ATOM 801 O TYR A 52 12.910 -2.298 -19.093 1.00 0.00 O ATOM 802 CB TYR A 52 14.055 -4.506 -16.880 1.00 0.00 C ATOM 803 CG TYR A 52 14.232 -4.809 -15.409 1.00 0.00 C ATOM 804 CD1 TYR A 52 15.416 -4.496 -14.753 1.00 0.00 C ATOM 805 CD2 TYR A 52 13.215 -5.407 -14.676 1.00 0.00 C ATOM 806 CE1 TYR A 52 15.583 -4.772 -13.410 1.00 0.00 C ATOM 807 CE2 TYR A 52 13.372 -5.685 -13.332 1.00 0.00 C ATOM 808 CZ TYR A 52 14.558 -5.366 -12.704 1.00 0.00 C ATOM 809 OH TYR A 52 14.719 -5.641 -11.365 1.00 0.00 O ATOM 0 H TYR A 52 12.381 -2.210 -16.697 1.00 0.00 H new ATOM 0 HA TYR A 52 15.267 -2.736 -17.017 1.00 0.00 H new ATOM 0 HB2 TYR A 52 13.059 -4.823 -17.190 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.770 -5.096 -17.453 1.00 0.00 H new ATOM 0 HD1 TYR A 52 16.220 -4.029 -15.303 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.286 -5.659 -15.165 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.511 -4.524 -12.916 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.571 -6.149 -12.776 1.00 0.00 H new ATOM 0 HH TYR A 52 13.904 -6.058 -11.016 1.00 0.00 H new ATOM 819 N LEU A 53 14.926 -3.188 -19.546 1.00 0.00 N ATOM 820 CA LEU A 53 14.791 -3.031 -20.991 1.00 0.00 C ATOM 821 C LEU A 53 13.962 -4.165 -21.586 1.00 0.00 C ATOM 822 O LEU A 53 14.220 -5.340 -21.323 1.00 0.00 O ATOM 823 CB LEU A 53 16.171 -2.992 -21.650 1.00 0.00 C ATOM 824 CG LEU A 53 16.475 -1.757 -22.498 1.00 0.00 C ATOM 825 CD1 LEU A 53 15.446 -1.605 -23.608 1.00 0.00 C ATOM 826 CD2 LEU A 53 16.512 -0.509 -21.628 1.00 0.00 C ATOM 0 H LEU A 53 15.805 -3.610 -19.248 1.00 0.00 H new ATOM 0 HA LEU A 53 14.276 -2.090 -21.184 1.00 0.00 H new ATOM 0 HB2 LEU A 53 16.927 -3.066 -20.868 1.00 0.00 H new ATOM 0 HB3 LEU A 53 16.276 -3.875 -22.280 1.00 0.00 H new ATOM 0 HG LEU A 53 17.456 -1.886 -22.955 1.00 0.00 H new ATOM 0 HD11 LEU A 53 15.679 -0.721 -24.201 1.00 0.00 H new ATOM 0 HD12 LEU A 53 15.468 -2.487 -24.248 1.00 0.00 H new ATOM 0 HD13 LEU A 53 14.453 -1.498 -23.171 1.00 0.00 H new ATOM 0 HD21 LEU A 53 16.730 0.361 -22.248 1.00 0.00 H new ATOM 0 HD22 LEU A 53 15.545 -0.375 -21.142 1.00 0.00 H new ATOM 0 HD23 LEU A 53 17.287 -0.617 -20.870 1.00 0.00 H new ATOM 838 N ARG A 54 12.968 -3.804 -22.391 1.00 0.00 N ATOM 839 CA ARG A 54 12.102 -4.791 -23.025 1.00 0.00 C ATOM 840 C ARG A 54 12.924 -5.827 -23.786 1.00 0.00 C ATOM 841 O ARG A 54 12.537 -6.991 -23.886 1.00 0.00 O ATOM 842 CB ARG A 54 11.121 -4.104 -23.976 1.00 0.00 C ATOM 843 CG ARG A 54 9.767 -4.789 -24.054 1.00 0.00 C ATOM 844 CD ARG A 54 9.734 -5.835 -25.157 1.00 0.00 C ATOM 845 NE ARG A 54 9.071 -5.341 -26.361 1.00 0.00 N ATOM 846 CZ ARG A 54 8.622 -6.131 -27.330 1.00 0.00 C ATOM 847 NH1 ARG A 54 8.764 -7.446 -27.237 1.00 0.00 N ATOM 848 NH2 ARG A 54 8.029 -5.606 -28.394 1.00 0.00 N ATOM 0 H ARG A 54 12.742 -2.836 -22.620 1.00 0.00 H new ATOM 0 HA ARG A 54 11.541 -5.302 -22.242 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.979 -3.072 -23.654 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.559 -4.069 -24.973 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.541 -5.260 -23.097 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.991 -4.045 -24.234 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.753 -6.136 -25.402 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.217 -6.725 -24.798 1.00 0.00 H new ATOM 0 HE ARG A 54 8.946 -4.334 -26.463 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.219 -7.853 -26.420 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.418 -8.050 -27.982 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.917 -4.595 -28.469 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.685 -6.213 -29.138 1.00 0.00 H new ATOM 862 N SER A 55 14.061 -5.394 -24.323 1.00 0.00 N ATOM 863 CA SER A 55 14.936 -6.283 -25.079 1.00 0.00 C ATOM 864 C SER A 55 15.698 -7.219 -24.145 1.00 0.00 C ATOM 865 O SER A 55 15.941 -8.380 -24.476 1.00 0.00 O ATOM 866 CB SER A 55 15.922 -5.468 -25.919 1.00 0.00 C ATOM 867 OG SER A 55 15.379 -5.166 -27.192 1.00 0.00 O ATOM 0 H SER A 55 14.397 -4.434 -24.249 1.00 0.00 H new ATOM 0 HA SER A 55 14.316 -6.886 -25.742 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.171 -4.544 -25.398 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.850 -6.026 -26.039 1.00 0.00 H new ATOM 0 HG SER A 55 16.027 -4.643 -27.709 1.00 0.00 H new ATOM 873 N ASP A 56 16.072 -6.705 -22.979 1.00 0.00 N ATOM 874 CA ASP A 56 16.805 -7.494 -21.996 1.00 0.00 C ATOM 875 C ASP A 56 15.953 -8.651 -21.482 1.00 0.00 C ATOM 876 O ASP A 56 16.348 -9.814 -21.571 1.00 0.00 O ATOM 877 CB ASP A 56 17.245 -6.611 -20.827 1.00 0.00 C ATOM 878 CG ASP A 56 18.701 -6.200 -20.929 1.00 0.00 C ATOM 879 OD1 ASP A 56 19.574 -7.090 -20.869 1.00 0.00 O ATOM 880 OD2 ASP A 56 18.967 -4.987 -21.068 1.00 0.00 O ATOM 0 H ASP A 56 15.880 -5.746 -22.691 1.00 0.00 H new ATOM 0 HA ASP A 56 17.689 -7.906 -22.484 1.00 0.00 H new ATOM 0 HB2 ASP A 56 16.620 -5.719 -20.794 1.00 0.00 H new ATOM 0 HB3 ASP A 56 17.086 -7.146 -19.891 1.00 0.00 H new ATOM 885 N VAL A 57 14.782 -8.324 -20.944 1.00 0.00 N ATOM 886 CA VAL A 57 13.874 -9.335 -20.417 1.00 0.00 C ATOM 887 C VAL A 57 13.577 -10.405 -21.460 1.00 0.00 C ATOM 888 O VAL A 57 13.458 -11.586 -21.135 1.00 0.00 O ATOM 889 CB VAL A 57 12.547 -8.708 -19.948 1.00 0.00 C ATOM 890 CG1 VAL A 57 11.646 -9.766 -19.330 1.00 0.00 C ATOM 891 CG2 VAL A 57 12.810 -7.578 -18.964 1.00 0.00 C ATOM 0 H VAL A 57 14.440 -7.366 -20.862 1.00 0.00 H new ATOM 0 HA VAL A 57 14.373 -9.793 -19.563 1.00 0.00 H new ATOM 0 HB VAL A 57 12.035 -8.291 -20.815 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.714 -9.305 -19.005 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.431 -10.537 -20.069 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.147 -10.215 -18.473 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.862 -7.147 -18.643 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.343 -7.967 -18.097 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.414 -6.809 -19.446 1.00 0.00 H new ATOM 901 N GLU A 58 13.460 -9.984 -22.716 1.00 0.00 N ATOM 902 CA GLU A 58 13.177 -10.908 -23.808 1.00 0.00 C ATOM 903 C GLU A 58 14.206 -12.033 -23.849 1.00 0.00 C ATOM 904 O GLU A 58 13.859 -13.210 -23.759 1.00 0.00 O ATOM 905 CB GLU A 58 13.164 -10.164 -25.145 1.00 0.00 C ATOM 906 CG GLU A 58 12.833 -11.052 -26.332 1.00 0.00 C ATOM 907 CD GLU A 58 12.368 -10.262 -27.540 1.00 0.00 C ATOM 908 OE1 GLU A 58 11.617 -9.282 -27.356 1.00 0.00 O ATOM 909 OE2 GLU A 58 12.757 -10.624 -28.671 1.00 0.00 O ATOM 0 H GLU A 58 13.557 -9.010 -23.002 1.00 0.00 H new ATOM 0 HA GLU A 58 12.194 -11.345 -23.634 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.436 -9.354 -25.094 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.140 -9.706 -25.306 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.713 -11.635 -26.601 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.056 -11.761 -26.045 1.00 0.00 H new ATOM 916 N ALA A 59 15.475 -11.662 -23.987 1.00 0.00 N ATOM 917 CA ALA A 59 16.556 -12.638 -24.039 1.00 0.00 C ATOM 918 C ALA A 59 16.638 -13.436 -22.742 1.00 0.00 C ATOM 919 O ALA A 59 16.903 -14.638 -22.756 1.00 0.00 O ATOM 920 CB ALA A 59 17.881 -11.945 -24.320 1.00 0.00 C ATOM 0 H ALA A 59 15.779 -10.692 -24.065 1.00 0.00 H new ATOM 0 HA ALA A 59 16.344 -13.334 -24.850 1.00 0.00 H new ATOM 0 HB1 ALA A 59 18.679 -12.687 -24.356 1.00 0.00 H new ATOM 0 HB2 ALA A 59 17.824 -11.426 -25.277 1.00 0.00 H new ATOM 0 HB3 ALA A 59 18.090 -11.225 -23.529 1.00 0.00 H new ATOM 926 N LYS A 60 16.411 -12.759 -21.622 1.00 0.00 N ATOM 927 CA LYS A 60 16.458 -13.404 -20.315 1.00 0.00 C ATOM 928 C LYS A 60 15.504 -14.593 -20.260 1.00 0.00 C ATOM 929 O LYS A 60 15.713 -15.533 -19.493 1.00 0.00 O ATOM 930 CB LYS A 60 16.104 -12.400 -19.215 1.00 0.00 C ATOM 931 CG LYS A 60 16.011 -13.021 -17.832 1.00 0.00 C ATOM 932 CD LYS A 60 17.329 -13.655 -17.416 1.00 0.00 C ATOM 933 CE LYS A 60 18.418 -12.608 -17.236 1.00 0.00 C ATOM 934 NZ LYS A 60 19.274 -12.485 -18.449 1.00 0.00 N ATOM 0 H LYS A 60 16.192 -11.763 -21.593 1.00 0.00 H new ATOM 0 HA LYS A 60 17.473 -13.768 -20.153 1.00 0.00 H new ATOM 0 HB2 LYS A 60 16.855 -11.610 -19.200 1.00 0.00 H new ATOM 0 HB3 LYS A 60 15.151 -11.929 -19.457 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.729 -12.257 -17.107 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.224 -13.775 -17.823 1.00 0.00 H new ATOM 0 HD2 LYS A 60 17.192 -14.203 -16.484 1.00 0.00 H new ATOM 0 HD3 LYS A 60 17.640 -14.379 -18.169 1.00 0.00 H new ATOM 0 HE2 LYS A 60 17.962 -11.643 -17.014 1.00 0.00 H new ATOM 0 HE3 LYS A 60 19.038 -12.872 -16.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 20.203 -12.102 -18.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 19.398 -13.422 -18.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 18.819 -11.845 -19.131 1.00 0.00 H new ATOM 948 N SER A 61 14.458 -14.545 -21.078 1.00 0.00 N ATOM 949 CA SER A 61 13.471 -15.617 -21.120 1.00 0.00 C ATOM 950 C SER A 61 13.942 -16.754 -22.022 1.00 0.00 C ATOM 951 O SER A 61 13.548 -17.907 -21.844 1.00 0.00 O ATOM 952 CB SER A 61 12.126 -15.082 -21.615 1.00 0.00 C ATOM 953 OG SER A 61 11.489 -16.015 -22.470 1.00 0.00 O ATOM 0 H SER A 61 14.272 -13.775 -21.721 1.00 0.00 H new ATOM 0 HA SER A 61 13.349 -16.005 -20.109 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.481 -14.866 -20.763 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.278 -14.142 -22.146 1.00 0.00 H new ATOM 0 HG SER A 61 10.714 -15.592 -22.896 1.00 0.00 H new ATOM 959 N LEU A 62 14.787 -16.420 -22.991 1.00 0.00 N ATOM 960 CA LEU A 62 15.314 -17.412 -23.922 1.00 0.00 C ATOM 961 C LEU A 62 16.473 -18.182 -23.299 1.00 0.00 C ATOM 962 O LEU A 62 16.656 -19.370 -23.566 1.00 0.00 O ATOM 963 CB LEU A 62 15.772 -16.734 -25.214 1.00 0.00 C ATOM 964 CG LEU A 62 14.789 -15.743 -25.838 1.00 0.00 C ATOM 965 CD1 LEU A 62 15.318 -15.231 -27.169 1.00 0.00 C ATOM 966 CD2 LEU A 62 13.423 -16.390 -26.019 1.00 0.00 C ATOM 0 H LEU A 62 15.122 -15.470 -23.153 1.00 0.00 H new ATOM 0 HA LEU A 62 14.516 -18.118 -24.153 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.707 -16.210 -25.014 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.991 -17.509 -25.949 1.00 0.00 H new ATOM 0 HG LEU A 62 14.681 -14.894 -25.163 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.605 -14.527 -27.598 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.273 -14.730 -27.012 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.456 -16.069 -27.852 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.736 -15.671 -26.464 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.515 -17.257 -26.673 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.039 -16.706 -25.049 1.00 0.00 H new ATOM 978 N GLU A 63 17.253 -17.498 -22.467 1.00 0.00 N ATOM 979 CA GLU A 63 18.394 -18.120 -21.806 1.00 0.00 C ATOM 980 C GLU A 63 17.934 -19.047 -20.684 1.00 0.00 C ATOM 981 O GLU A 63 18.636 -19.988 -20.314 1.00 0.00 O ATOM 982 CB GLU A 63 19.332 -17.049 -21.245 1.00 0.00 C ATOM 983 CG GLU A 63 18.798 -16.365 -19.998 1.00 0.00 C ATOM 984 CD GLU A 63 19.450 -16.876 -18.728 1.00 0.00 C ATOM 985 OE1 GLU A 63 19.999 -17.998 -18.751 1.00 0.00 O ATOM 986 OE2 GLU A 63 19.411 -16.154 -17.709 1.00 0.00 O ATOM 0 H GLU A 63 17.115 -16.514 -22.235 1.00 0.00 H new ATOM 0 HA GLU A 63 18.932 -18.713 -22.546 1.00 0.00 H new ATOM 0 HB2 GLU A 63 20.295 -17.506 -21.015 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.512 -16.297 -22.013 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.962 -15.290 -20.079 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.721 -16.519 -19.936 1.00 0.00 H new ATOM 993 N VAL A 64 16.749 -18.773 -20.146 1.00 0.00 N ATOM 994 CA VAL A 64 16.194 -19.581 -19.067 1.00 0.00 C ATOM 995 C VAL A 64 15.357 -20.730 -19.616 1.00 0.00 C ATOM 996 O VAL A 64 15.771 -21.889 -19.574 1.00 0.00 O ATOM 997 CB VAL A 64 15.324 -18.732 -18.120 1.00 0.00 C ATOM 998 CG1 VAL A 64 14.710 -19.603 -17.035 1.00 0.00 C ATOM 999 CG2 VAL A 64 16.144 -17.605 -17.511 1.00 0.00 C ATOM 0 H VAL A 64 16.155 -17.997 -20.440 1.00 0.00 H new ATOM 0 HA VAL A 64 17.038 -19.985 -18.508 1.00 0.00 H new ATOM 0 HB VAL A 64 14.513 -18.289 -18.698 1.00 0.00 H new ATOM 0 HG11 VAL A 64 14.099 -18.986 -16.376 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.087 -20.371 -17.494 1.00 0.00 H new ATOM 0 HG13 VAL A 64 15.503 -20.077 -16.457 1.00 0.00 H new ATOM 0 HG21 VAL A 64 15.514 -17.015 -16.845 1.00 0.00 H new ATOM 0 HG22 VAL A 64 16.976 -18.025 -16.946 1.00 0.00 H new ATOM 0 HG23 VAL A 64 16.530 -16.966 -18.305 1.00 0.00 H new ATOM 1009 N TRP A 65 14.177 -20.401 -20.131 1.00 0.00 N ATOM 1010 CA TRP A 65 13.281 -21.407 -20.689 1.00 0.00 C ATOM 1011 C TRP A 65 13.936 -22.131 -21.859 1.00 0.00 C ATOM 1012 O TRP A 65 13.597 -23.274 -22.163 1.00 0.00 O ATOM 1013 CB TRP A 65 11.973 -20.757 -21.144 1.00 0.00 C ATOM 1014 CG TRP A 65 11.005 -20.521 -20.024 1.00 0.00 C ATOM 1015 CD1 TRP A 65 10.857 -19.375 -19.297 1.00 0.00 C ATOM 1016 CD2 TRP A 65 10.054 -21.456 -19.502 1.00 0.00 C ATOM 1017 NE1 TRP A 65 9.871 -19.540 -18.354 1.00 0.00 N ATOM 1018 CE2 TRP A 65 9.362 -20.808 -18.460 1.00 0.00 C ATOM 1019 CE3 TRP A 65 9.719 -22.776 -19.814 1.00 0.00 C ATOM 1020 CZ2 TRP A 65 8.357 -21.437 -17.731 1.00 0.00 C ATOM 1021 CZ3 TRP A 65 8.721 -23.399 -19.089 1.00 0.00 C ATOM 1022 CH2 TRP A 65 8.049 -22.730 -18.058 1.00 0.00 C ATOM 0 H TRP A 65 13.819 -19.447 -20.174 1.00 0.00 H new ATOM 0 HA TRP A 65 13.065 -22.138 -19.909 1.00 0.00 H new ATOM 0 HB2 TRP A 65 12.197 -19.806 -21.627 1.00 0.00 H new ATOM 0 HB3 TRP A 65 11.502 -21.392 -21.894 1.00 0.00 H new ATOM 0 HD1 TRP A 65 11.431 -18.471 -19.442 1.00 0.00 H new ATOM 0 HE1 TRP A 65 9.567 -18.833 -17.684 1.00 0.00 H new ATOM 0 HE3 TRP A 65 10.231 -23.300 -20.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 7.838 -20.923 -16.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 8.455 -24.419 -19.321 1.00 0.00 H new ATOM 0 HH2 TRP A 65 7.273 -23.244 -17.511 1.00 0.00 H new ATOM 1033 N GLY A 66 14.879 -21.459 -22.513 1.00 0.00 N ATOM 1034 CA GLY A 66 15.567 -22.056 -23.643 1.00 0.00 C ATOM 1035 C GLY A 66 15.168 -21.427 -24.963 1.00 0.00 C ATOM 1036 O GLY A 66 16.018 -21.147 -25.808 1.00 0.00 O ATOM 0 H GLY A 66 15.179 -20.512 -22.280 1.00 0.00 H new ATOM 0 HA2 GLY A 66 16.643 -21.952 -23.505 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.351 -23.124 -23.673 1.00 0.00 H new ATOM 1040 N SER A 67 13.869 -21.206 -25.143 1.00 0.00 N ATOM 1041 CA SER A 67 13.358 -20.612 -26.373 1.00 0.00 C ATOM 1042 C SER A 67 12.074 -19.832 -26.106 1.00 0.00 C ATOM 1043 O SER A 67 11.397 -20.028 -25.096 1.00 0.00 O ATOM 1044 CB SER A 67 13.100 -21.697 -27.420 1.00 0.00 C ATOM 1045 OG SER A 67 12.805 -22.940 -26.805 1.00 0.00 O ATOM 0 H SER A 67 13.152 -21.429 -24.453 1.00 0.00 H new ATOM 0 HA SER A 67 14.110 -19.921 -26.754 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.270 -21.399 -28.061 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.975 -21.804 -28.061 1.00 0.00 H new ATOM 0 HG SER A 67 12.642 -23.616 -27.495 1.00 0.00 H new ATOM 1051 N PRO A 68 11.730 -18.926 -27.033 1.00 0.00 N ATOM 1052 CA PRO A 68 10.526 -18.097 -26.921 1.00 0.00 C ATOM 1053 C PRO A 68 9.247 -18.908 -27.098 1.00 0.00 C ATOM 1054 O PRO A 68 8.162 -18.460 -26.728 1.00 0.00 O ATOM 1055 CB PRO A 68 10.682 -17.089 -28.062 1.00 0.00 C ATOM 1056 CG PRO A 68 11.553 -17.775 -29.058 1.00 0.00 C ATOM 1057 CD PRO A 68 12.491 -18.640 -28.261 1.00 0.00 C ATOM 0 HA PRO A 68 10.438 -17.637 -25.937 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.716 -16.828 -28.494 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.136 -16.162 -27.712 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.960 -18.375 -29.748 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.104 -17.051 -29.658 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.748 -19.554 -28.797 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.426 -18.124 -28.043 1.00 0.00 H new ATOM 1065 N GLU A 69 9.382 -20.102 -27.666 1.00 0.00 N ATOM 1066 CA GLU A 69 8.235 -20.974 -27.891 1.00 0.00 C ATOM 1067 C GLU A 69 7.752 -21.588 -26.580 1.00 0.00 C ATOM 1068 O GLU A 69 6.566 -21.870 -26.415 1.00 0.00 O ATOM 1069 CB GLU A 69 8.596 -22.082 -28.883 1.00 0.00 C ATOM 1070 CG GLU A 69 7.478 -22.416 -29.856 1.00 0.00 C ATOM 1071 CD GLU A 69 7.338 -21.386 -30.960 1.00 0.00 C ATOM 1072 OE1 GLU A 69 7.444 -20.178 -30.662 1.00 0.00 O ATOM 1073 OE2 GLU A 69 7.123 -21.789 -32.122 1.00 0.00 O ATOM 0 H GLU A 69 10.273 -20.487 -27.979 1.00 0.00 H new ATOM 0 HA GLU A 69 7.429 -20.371 -28.308 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.479 -21.780 -29.447 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.864 -22.981 -28.328 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.667 -23.394 -30.299 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.537 -22.489 -29.311 1.00 0.00 H new ATOM 1080 N ALA A 70 8.680 -21.791 -25.652 1.00 0.00 N ATOM 1081 CA ALA A 70 8.350 -22.370 -24.355 1.00 0.00 C ATOM 1082 C ALA A 70 7.437 -21.444 -23.558 1.00 0.00 C ATOM 1083 O ALA A 70 6.450 -21.887 -22.967 1.00 0.00 O ATOM 1084 CB ALA A 70 9.619 -22.666 -23.570 1.00 0.00 C ATOM 0 H ALA A 70 9.667 -21.563 -25.773 1.00 0.00 H new ATOM 0 HA ALA A 70 7.817 -23.305 -24.527 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.357 -23.098 -22.604 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.236 -23.371 -24.127 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.175 -21.741 -23.415 1.00 0.00 H new ATOM 1090 N LEU A 71 7.771 -20.159 -23.544 1.00 0.00 N ATOM 1091 CA LEU A 71 6.981 -19.170 -22.819 1.00 0.00 C ATOM 1092 C LEU A 71 5.675 -18.875 -23.549 1.00 0.00 C ATOM 1093 O LEU A 71 4.643 -18.635 -22.923 1.00 0.00 O ATOM 1094 CB LEU A 71 7.782 -17.879 -22.640 1.00 0.00 C ATOM 1095 CG LEU A 71 7.024 -16.698 -22.033 1.00 0.00 C ATOM 1096 CD1 LEU A 71 6.773 -16.930 -20.551 1.00 0.00 C ATOM 1097 CD2 LEU A 71 7.794 -15.403 -22.249 1.00 0.00 C ATOM 0 H LEU A 71 8.584 -19.777 -24.027 1.00 0.00 H new ATOM 0 HA LEU A 71 6.742 -19.581 -21.838 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.644 -18.095 -22.009 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.167 -17.576 -23.614 1.00 0.00 H new ATOM 0 HG LEU A 71 6.060 -16.613 -22.535 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.233 -16.079 -20.136 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.180 -17.835 -20.420 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.726 -17.042 -20.034 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.240 -14.573 -21.811 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.772 -15.478 -21.774 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.922 -15.230 -23.317 1.00 0.00 H new ATOM 1109 N ALA A 72 5.727 -18.896 -24.876 1.00 0.00 N ATOM 1110 CA ALA A 72 4.547 -18.634 -25.692 1.00 0.00 C ATOM 1111 C ALA A 72 3.411 -19.586 -25.334 1.00 0.00 C ATOM 1112 O ALA A 72 2.236 -19.247 -25.478 1.00 0.00 O ATOM 1113 CB ALA A 72 4.891 -18.752 -27.169 1.00 0.00 C ATOM 0 H ALA A 72 6.574 -19.092 -25.410 1.00 0.00 H new ATOM 0 HA ALA A 72 4.212 -17.617 -25.488 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.001 -18.554 -27.767 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.666 -18.028 -27.421 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.253 -19.759 -27.379 1.00 0.00 H new ATOM 1119 N ARG A 73 3.768 -20.778 -24.867 1.00 0.00 N ATOM 1120 CA ARG A 73 2.777 -21.779 -24.490 1.00 0.00 C ATOM 1121 C ARG A 73 1.917 -21.283 -23.331 1.00 0.00 C ATOM 1122 O ARG A 73 0.697 -21.442 -23.339 1.00 0.00 O ATOM 1123 CB ARG A 73 3.466 -23.089 -24.104 1.00 0.00 C ATOM 1124 CG ARG A 73 4.406 -23.621 -25.174 1.00 0.00 C ATOM 1125 CD ARG A 73 4.034 -25.036 -25.589 1.00 0.00 C ATOM 1126 NE ARG A 73 4.687 -25.430 -26.834 1.00 0.00 N ATOM 1127 CZ ARG A 73 4.814 -26.692 -27.230 1.00 0.00 C ATOM 1128 NH1 ARG A 73 4.334 -27.676 -26.482 1.00 0.00 N ATOM 1129 NH2 ARG A 73 5.421 -26.971 -28.376 1.00 0.00 N ATOM 0 H ARG A 73 4.736 -21.074 -24.741 1.00 0.00 H new ATOM 0 HA ARG A 73 2.131 -21.956 -25.350 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.027 -22.937 -23.182 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.706 -23.841 -23.893 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.376 -22.966 -26.044 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.430 -23.608 -24.800 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.313 -25.731 -24.797 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.953 -25.106 -25.709 1.00 0.00 H new ATOM 0 HE ARG A 73 5.066 -24.696 -27.433 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.866 -27.465 -25.601 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.433 -28.644 -26.788 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.791 -26.216 -28.954 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.518 -27.940 -28.679 1.00 0.00 H new ATOM 1143 N GLU A 74 2.563 -20.683 -22.336 1.00 0.00 N ATOM 1144 CA GLU A 74 1.857 -20.166 -21.170 1.00 0.00 C ATOM 1145 C GLU A 74 1.181 -18.836 -21.489 1.00 0.00 C ATOM 1146 O GLU A 74 0.155 -18.491 -20.902 1.00 0.00 O ATOM 1147 CB GLU A 74 2.823 -19.992 -19.996 1.00 0.00 C ATOM 1148 CG GLU A 74 2.865 -21.187 -19.060 1.00 0.00 C ATOM 1149 CD GLU A 74 2.012 -20.989 -17.822 1.00 0.00 C ATOM 1150 OE1 GLU A 74 0.779 -20.851 -17.966 1.00 0.00 O ATOM 1151 OE2 GLU A 74 2.577 -20.972 -16.709 1.00 0.00 O ATOM 0 H GLU A 74 3.573 -20.543 -22.314 1.00 0.00 H new ATOM 0 HA GLU A 74 1.088 -20.887 -20.894 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.825 -19.810 -20.385 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.536 -19.107 -19.429 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.524 -22.074 -19.594 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.896 -21.373 -18.760 1.00 0.00 H new ATOM 1158 N LYS A 75 1.765 -18.091 -22.422 1.00 0.00 N ATOM 1159 CA LYS A 75 1.221 -16.799 -22.821 1.00 0.00 C ATOM 1160 C LYS A 75 -0.113 -16.968 -23.540 1.00 0.00 C ATOM 1161 O LYS A 75 -1.033 -16.170 -23.361 1.00 0.00 O ATOM 1162 CB LYS A 75 2.211 -16.063 -23.727 1.00 0.00 C ATOM 1163 CG LYS A 75 3.590 -15.898 -23.113 1.00 0.00 C ATOM 1164 CD LYS A 75 3.867 -14.450 -22.746 1.00 0.00 C ATOM 1165 CE LYS A 75 3.069 -14.022 -21.523 1.00 0.00 C ATOM 1166 NZ LYS A 75 1.812 -13.318 -21.900 1.00 0.00 N ATOM 0 H LYS A 75 2.616 -18.361 -22.916 1.00 0.00 H new ATOM 0 HA LYS A 75 1.055 -16.209 -21.919 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.304 -16.607 -24.667 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.809 -15.079 -23.966 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.670 -16.522 -22.223 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.346 -16.247 -23.816 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.932 -14.320 -22.551 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.617 -13.806 -23.589 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.828 -14.898 -20.922 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.680 -13.367 -20.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.821 -12.356 -21.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.741 -13.265 -22.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.995 -13.840 -21.523 1.00 0.00 H new