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= 0.126 USER MOD Single : A 22 ASN : amide:sc= 0.268 X(o=0.27,f=0) 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= 0.14 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.82) USER MOD Single : A 36 LYS NZ :NH3+ -156:sc= -0.0509 (180deg=-0.818) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0597 USER MOD Single : A 60 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.359) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0104 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 168 N PHE A 14 10.157 1.174 -21.628 1.00 0.00 N ATOM 169 CA PHE A 14 10.530 0.248 -20.564 1.00 0.00 C ATOM 170 C PHE A 14 9.344 -0.623 -20.161 1.00 0.00 C ATOM 171 O PHE A 14 8.209 -0.372 -20.569 1.00 0.00 O ATOM 172 CB PHE A 14 11.049 1.018 -19.348 1.00 0.00 C ATOM 173 CG PHE A 14 12.142 1.994 -19.679 1.00 0.00 C ATOM 174 CD1 PHE A 14 13.345 1.554 -20.208 1.00 0.00 C ATOM 175 CD2 PHE A 14 11.968 3.351 -19.459 1.00 0.00 C ATOM 176 CE1 PHE A 14 14.353 2.449 -20.514 1.00 0.00 C ATOM 177 CE2 PHE A 14 12.972 4.250 -19.762 1.00 0.00 C ATOM 178 CZ PHE A 14 14.166 3.799 -20.289 1.00 0.00 C ATOM 0 HA PHE A 14 11.322 -0.399 -20.940 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.220 1.555 -18.887 1.00 0.00 H new ATOM 0 HB3 PHE A 14 11.419 0.308 -18.609 1.00 0.00 H new ATOM 0 HD1 PHE A 14 13.497 0.499 -20.383 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.037 3.710 -19.046 1.00 0.00 H new ATOM 0 HE1 PHE A 14 15.285 2.093 -20.928 1.00 0.00 H new ATOM 0 HE2 PHE A 14 12.823 5.305 -19.587 1.00 0.00 H new ATOM 0 HZ PHE A 14 14.952 4.501 -20.525 1.00 0.00 H new ATOM 188 N ILE A 15 9.615 -1.646 -19.357 1.00 0.00 N ATOM 189 CA ILE A 15 8.571 -2.553 -18.898 1.00 0.00 C ATOM 190 C ILE A 15 8.694 -2.821 -17.402 1.00 0.00 C ATOM 191 O ILE A 15 9.787 -3.070 -16.892 1.00 0.00 O ATOM 192 CB ILE A 15 8.618 -3.894 -19.654 1.00 0.00 C ATOM 193 CG1 ILE A 15 7.496 -4.816 -19.172 1.00 0.00 C ATOM 194 CG2 ILE A 15 9.974 -4.559 -19.468 1.00 0.00 C ATOM 195 CD1 ILE A 15 7.348 -6.072 -20.001 1.00 0.00 C ATOM 0 H ILE A 15 10.548 -1.867 -19.010 1.00 0.00 H new ATOM 0 HA ILE A 15 7.618 -2.065 -19.100 1.00 0.00 H new ATOM 0 HB ILE A 15 8.472 -3.701 -20.717 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.686 -5.095 -18.136 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.554 -4.267 -19.187 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.992 -5.506 -20.008 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.756 -3.905 -19.855 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.147 -4.743 -18.408 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.534 -6.678 -19.602 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.127 -5.802 -21.034 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.276 -6.643 -19.966 1.00 0.00 H new ATOM 207 N THR A 16 7.565 -2.770 -16.702 1.00 0.00 N ATOM 208 CA THR A 16 7.546 -3.008 -15.264 1.00 0.00 C ATOM 209 C THR A 16 8.040 -4.411 -14.932 1.00 0.00 C ATOM 210 O THR A 16 7.692 -5.378 -15.608 1.00 0.00 O ATOM 211 CB THR A 16 6.132 -2.823 -14.683 1.00 0.00 C ATOM 212 OG1 THR A 16 5.239 -2.364 -15.704 1.00 0.00 O ATOM 213 CG2 THR A 16 6.146 -1.829 -13.531 1.00 0.00 C ATOM 0 H THR A 16 6.652 -2.566 -17.108 1.00 0.00 H new ATOM 0 HA THR A 16 8.215 -2.275 -14.814 1.00 0.00 H new ATOM 0 HB THR A 16 5.789 -3.787 -14.307 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.342 -2.251 -15.327 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.136 -1.715 -13.137 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.804 -2.195 -12.743 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.508 -0.864 -13.887 1.00 0.00 H new ATOM 221 N GLY A 17 8.854 -4.515 -13.886 1.00 0.00 N ATOM 222 CA GLY A 17 9.382 -5.805 -13.482 1.00 0.00 C ATOM 223 C GLY A 17 8.292 -6.833 -13.255 1.00 0.00 C ATOM 224 O GLY A 17 8.255 -7.868 -13.920 1.00 0.00 O ATOM 0 H GLY A 17 9.157 -3.729 -13.311 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.067 -6.170 -14.248 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.961 -5.686 -12.566 1.00 0.00 H new ATOM 228 N VAL A 18 7.400 -6.548 -12.311 1.00 0.00 N ATOM 229 CA VAL A 18 6.303 -7.456 -11.997 1.00 0.00 C ATOM 230 C VAL A 18 5.535 -7.846 -13.255 1.00 0.00 C ATOM 231 O VAL A 18 4.979 -8.941 -13.341 1.00 0.00 O ATOM 232 CB VAL A 18 5.326 -6.827 -10.986 1.00 0.00 C ATOM 233 CG1 VAL A 18 4.645 -5.607 -11.589 1.00 0.00 C ATOM 234 CG2 VAL A 18 4.297 -7.851 -10.531 1.00 0.00 C ATOM 0 H VAL A 18 7.416 -5.696 -11.751 1.00 0.00 H new ATOM 0 HA VAL A 18 6.747 -8.348 -11.555 1.00 0.00 H new ATOM 0 HB VAL A 18 5.893 -6.503 -10.113 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.959 -5.176 -10.860 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.398 -4.867 -11.860 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.090 -5.903 -12.479 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.615 -7.389 -9.817 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.733 -8.208 -11.393 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.805 -8.691 -10.057 1.00 0.00 H new ATOM 244 N ARG A 19 5.508 -6.942 -14.229 1.00 0.00 N ATOM 245 CA ARG A 19 4.807 -7.191 -15.483 1.00 0.00 C ATOM 246 C ARG A 19 5.542 -8.234 -16.319 1.00 0.00 C ATOM 247 O ARG A 19 4.931 -9.159 -16.853 1.00 0.00 O ATOM 248 CB ARG A 19 4.665 -5.892 -16.279 1.00 0.00 C ATOM 249 CG ARG A 19 3.250 -5.337 -16.291 1.00 0.00 C ATOM 250 CD ARG A 19 2.967 -4.560 -17.567 1.00 0.00 C ATOM 251 NE ARG A 19 2.230 -3.327 -17.305 1.00 0.00 N ATOM 252 CZ ARG A 19 0.948 -3.296 -16.958 1.00 0.00 C ATOM 253 NH1 ARG A 19 0.265 -4.426 -16.832 1.00 0.00 N ATOM 254 NH2 ARG A 19 0.347 -2.134 -16.737 1.00 0.00 N ATOM 0 H ARG A 19 5.963 -6.031 -14.174 1.00 0.00 H new ATOM 0 HA ARG A 19 3.815 -7.574 -15.245 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.336 -5.143 -15.859 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.986 -6.068 -17.306 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.536 -6.155 -16.196 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.106 -4.687 -15.428 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.908 -4.321 -18.062 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.395 -5.185 -18.253 1.00 0.00 H new ATOM 0 HE ARG A 19 2.727 -2.441 -17.393 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.724 -5.321 -17.002 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.719 -4.400 -16.565 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.869 -1.263 -16.833 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.637 -2.111 -16.471 1.00 0.00 H new ATOM 268 N ALA A 20 6.857 -8.079 -16.427 1.00 0.00 N ATOM 269 CA ALA A 20 7.676 -9.008 -17.196 1.00 0.00 C ATOM 270 C ALA A 20 7.735 -10.374 -16.523 1.00 0.00 C ATOM 271 O ALA A 20 7.820 -11.404 -17.193 1.00 0.00 O ATOM 272 CB ALA A 20 9.078 -8.447 -17.381 1.00 0.00 C ATOM 0 H ALA A 20 7.379 -7.318 -15.991 1.00 0.00 H new ATOM 0 HA ALA A 20 7.215 -9.135 -18.176 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.679 -9.151 -17.957 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.023 -7.497 -17.913 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.539 -8.290 -16.406 1.00 0.00 H new ATOM 278 N ILE A 21 7.690 -10.377 -15.195 1.00 0.00 N ATOM 279 CA ILE A 21 7.738 -11.618 -14.432 1.00 0.00 C ATOM 280 C ILE A 21 6.431 -12.394 -14.561 1.00 0.00 C ATOM 281 O ILE A 21 6.408 -13.616 -14.429 1.00 0.00 O ATOM 282 CB ILE A 21 8.019 -11.352 -12.941 1.00 0.00 C ATOM 283 CG1 ILE A 21 9.341 -10.600 -12.776 1.00 0.00 C ATOM 284 CG2 ILE A 21 8.047 -12.660 -12.166 1.00 0.00 C ATOM 285 CD1 ILE A 21 9.497 -9.942 -11.422 1.00 0.00 C ATOM 0 H ILE A 21 7.620 -9.534 -14.625 1.00 0.00 H new ATOM 0 HA ILE A 21 8.553 -12.212 -14.847 1.00 0.00 H new ATOM 0 HB ILE A 21 7.217 -10.732 -12.540 1.00 0.00 H new ATOM 0 HG12 ILE A 21 10.167 -11.295 -12.931 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.416 -9.838 -13.552 1.00 0.00 H new ATOM 0 HG21 ILE A 21 8.247 -12.455 -11.114 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.083 -13.160 -12.262 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.831 -13.303 -12.566 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.457 -9.427 -11.376 1.00 0.00 H new ATOM 0 HD12 ILE A 21 8.692 -9.222 -11.272 1.00 0.00 H new ATOM 0 HD13 ILE A 21 9.455 -10.702 -10.641 1.00 0.00 H new ATOM 297 N ASN A 22 5.345 -11.673 -14.821 1.00 0.00 N ATOM 298 CA ASN A 22 4.034 -12.293 -14.969 1.00 0.00 C ATOM 299 C ASN A 22 3.762 -12.649 -16.427 1.00 0.00 C ATOM 300 O ASN A 22 2.993 -13.564 -16.720 1.00 0.00 O ATOM 301 CB ASN A 22 2.941 -11.357 -14.448 1.00 0.00 C ATOM 302 CG ASN A 22 2.504 -11.706 -13.039 1.00 0.00 C ATOM 303 OD1 ASN A 22 1.656 -12.575 -12.837 1.00 0.00 O ATOM 304 ND2 ASN A 22 3.082 -11.027 -12.055 1.00 0.00 N ATOM 0 H ASN A 22 5.347 -10.659 -14.933 1.00 0.00 H new ATOM 0 HA ASN A 22 4.026 -13.211 -14.382 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.306 -10.330 -14.468 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.080 -11.402 -15.114 1.00 0.00 H new ATOM 0 HD21 ASN A 22 2.828 -11.218 -11.086 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.780 -10.315 -12.268 1.00 0.00 H new ATOM 311 N GLU A 23 4.399 -11.919 -17.337 1.00 0.00 N ATOM 312 CA GLU A 23 4.225 -12.158 -18.765 1.00 0.00 C ATOM 313 C GLU A 23 5.214 -13.206 -19.266 1.00 0.00 C ATOM 314 O GLU A 23 4.820 -14.244 -19.798 1.00 0.00 O ATOM 315 CB GLU A 23 4.406 -10.855 -19.548 1.00 0.00 C ATOM 316 CG GLU A 23 3.304 -9.838 -19.300 1.00 0.00 C ATOM 317 CD GLU A 23 3.732 -8.422 -19.633 1.00 0.00 C ATOM 318 OE1 GLU A 23 4.823 -8.011 -19.185 1.00 0.00 O ATOM 319 OE2 GLU A 23 2.976 -7.725 -20.341 1.00 0.00 O ATOM 0 H GLU A 23 5.040 -11.158 -17.111 1.00 0.00 H new ATOM 0 HA GLU A 23 3.214 -12.533 -18.924 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.365 -10.411 -19.282 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.445 -11.083 -20.613 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.431 -10.100 -19.898 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.000 -9.885 -18.254 1.00 0.00 H new ATOM 326 N PHE A 24 6.502 -12.927 -19.092 1.00 0.00 N ATOM 327 CA PHE A 24 7.549 -13.845 -19.527 1.00 0.00 C ATOM 328 C PHE A 24 7.642 -15.046 -18.591 1.00 0.00 C ATOM 329 O PHE A 24 8.241 -16.067 -18.932 1.00 0.00 O ATOM 330 CB PHE A 24 8.897 -13.123 -19.585 1.00 0.00 C ATOM 331 CG PHE A 24 8.949 -12.034 -20.619 1.00 0.00 C ATOM 332 CD1 PHE A 24 8.357 -10.805 -20.379 1.00 0.00 C ATOM 333 CD2 PHE A 24 9.592 -12.240 -21.829 1.00 0.00 C ATOM 334 CE1 PHE A 24 8.404 -9.802 -21.329 1.00 0.00 C ATOM 335 CE2 PHE A 24 9.642 -11.241 -22.782 1.00 0.00 C ATOM 336 CZ PHE A 24 9.048 -10.019 -22.531 1.00 0.00 C ATOM 0 H PHE A 24 6.846 -12.073 -18.653 1.00 0.00 H new ATOM 0 HA PHE A 24 7.293 -14.203 -20.524 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.113 -12.695 -18.606 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.681 -13.850 -19.795 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.854 -10.629 -19.440 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.060 -13.193 -22.029 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.937 -8.849 -21.131 1.00 0.00 H new ATOM 0 HE2 PHE A 24 10.145 -11.415 -23.722 1.00 0.00 H new ATOM 0 HZ PHE A 24 9.087 -9.235 -23.273 1.00 0.00 H new ATOM 346 N CYS A 25 7.047 -14.916 -17.410 1.00 0.00 N ATOM 347 CA CYS A 25 7.064 -15.990 -16.423 1.00 0.00 C ATOM 348 C CYS A 25 8.495 -16.368 -16.055 1.00 0.00 C ATOM 349 O CYS A 25 8.914 -17.512 -16.239 1.00 0.00 O ATOM 350 CB CYS A 25 6.322 -17.215 -16.960 1.00 0.00 C ATOM 351 SG CYS A 25 4.526 -17.133 -16.769 1.00 0.00 S ATOM 0 H CYS A 25 6.547 -14.078 -17.113 1.00 0.00 H new ATOM 0 HA CYS A 25 6.560 -15.633 -15.525 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.559 -17.335 -18.017 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.691 -18.103 -16.447 1.00 0.00 H new ATOM 0 HG CYS A 25 3.988 -18.212 -17.255 1.00 0.00 H new ATOM 357 N LEU A 26 9.242 -15.400 -15.536 1.00 0.00 N ATOM 358 CA LEU A 26 10.628 -15.630 -15.144 1.00 0.00 C ATOM 359 C LEU A 26 10.764 -15.671 -13.625 1.00 0.00 C ATOM 360 O LEU A 26 9.768 -15.692 -12.902 1.00 0.00 O ATOM 361 CB LEU A 26 11.530 -14.537 -15.719 1.00 0.00 C ATOM 362 CG LEU A 26 11.325 -14.207 -17.198 1.00 0.00 C ATOM 363 CD1 LEU A 26 11.869 -12.823 -17.516 1.00 0.00 C ATOM 364 CD2 LEU A 26 11.990 -15.258 -18.076 1.00 0.00 C ATOM 0 H LEU A 26 8.911 -14.448 -15.377 1.00 0.00 H new ATOM 0 HA LEU A 26 10.938 -16.595 -15.545 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.378 -13.626 -15.140 1.00 0.00 H new ATOM 0 HB3 LEU A 26 12.568 -14.837 -15.575 1.00 0.00 H new ATOM 0 HG LEU A 26 10.255 -14.212 -17.407 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.714 -12.605 -18.573 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.348 -12.080 -16.912 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.935 -12.791 -17.291 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.834 -15.007 -19.125 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.059 -15.285 -17.864 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.554 -16.235 -17.868 1.00 0.00 H new ATOM 376 N LYS A 27 12.004 -15.680 -13.147 1.00 0.00 N ATOM 377 CA LYS A 27 12.272 -15.714 -11.715 1.00 0.00 C ATOM 378 C LYS A 27 12.446 -14.304 -11.160 1.00 0.00 C ATOM 379 O LYS A 27 12.901 -13.401 -11.863 1.00 0.00 O ATOM 380 CB LYS A 27 13.526 -16.543 -11.429 1.00 0.00 C ATOM 381 CG LYS A 27 13.236 -17.867 -10.743 1.00 0.00 C ATOM 382 CD LYS A 27 13.671 -19.046 -11.598 1.00 0.00 C ATOM 383 CE LYS A 27 12.777 -19.209 -12.818 1.00 0.00 C ATOM 384 NZ LYS A 27 11.547 -19.986 -12.504 1.00 0.00 N ATOM 0 H LYS A 27 12.840 -15.664 -13.732 1.00 0.00 H new ATOM 0 HA LYS A 27 11.417 -16.177 -11.222 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.046 -16.736 -12.367 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.202 -15.960 -10.804 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.753 -17.902 -9.784 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.169 -17.943 -10.533 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.703 -18.904 -11.918 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.645 -19.958 -11.002 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.499 -18.226 -13.198 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.332 -19.712 -13.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.964 -20.075 -13.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.812 -20.933 -12.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.004 -19.494 -11.766 1.00 0.00 H new ATOM 398 N SER A 28 12.081 -14.121 -9.894 1.00 0.00 N ATOM 399 CA SER A 28 12.195 -12.820 -9.246 1.00 0.00 C ATOM 400 C SER A 28 13.649 -12.360 -9.203 1.00 0.00 C ATOM 401 O SER A 28 13.940 -11.172 -9.344 1.00 0.00 O ATOM 402 CB SER A 28 11.625 -12.882 -7.827 1.00 0.00 C ATOM 403 OG SER A 28 10.871 -14.065 -7.632 1.00 0.00 O ATOM 0 H SER A 28 11.704 -14.858 -9.298 1.00 0.00 H new ATOM 0 HA SER A 28 11.622 -12.099 -9.829 1.00 0.00 H new ATOM 0 HB2 SER A 28 12.439 -12.842 -7.103 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.995 -12.011 -7.647 1.00 0.00 H new ATOM 0 HG SER A 28 10.519 -14.082 -6.717 1.00 0.00 H new ATOM 409 N SER A 29 14.558 -13.309 -9.006 1.00 0.00 N ATOM 410 CA SER A 29 15.982 -13.002 -8.940 1.00 0.00 C ATOM 411 C SER A 29 16.541 -12.715 -10.330 1.00 0.00 C ATOM 412 O SER A 29 17.431 -11.880 -10.493 1.00 0.00 O ATOM 413 CB SER A 29 16.746 -14.162 -8.300 1.00 0.00 C ATOM 414 OG SER A 29 17.182 -13.828 -6.993 1.00 0.00 O ATOM 0 H SER A 29 14.334 -14.297 -8.889 1.00 0.00 H new ATOM 0 HA SER A 29 16.108 -12.110 -8.326 1.00 0.00 H new ATOM 0 HB2 SER A 29 16.107 -15.044 -8.259 1.00 0.00 H new ATOM 0 HB3 SER A 29 17.606 -14.420 -8.918 1.00 0.00 H new ATOM 0 HG SER A 29 17.666 -14.587 -6.606 1.00 0.00 H new ATOM 420 N ASP A 30 16.012 -13.414 -11.329 1.00 0.00 N ATOM 421 CA ASP A 30 16.457 -13.235 -12.706 1.00 0.00 C ATOM 422 C ASP A 30 16.392 -11.765 -13.111 1.00 0.00 C ATOM 423 O ASP A 30 17.380 -11.195 -13.577 1.00 0.00 O ATOM 424 CB ASP A 30 15.600 -14.076 -13.654 1.00 0.00 C ATOM 425 CG ASP A 30 16.110 -15.498 -13.787 1.00 0.00 C ATOM 426 OD1 ASP A 30 17.144 -15.818 -13.164 1.00 0.00 O ATOM 427 OD2 ASP A 30 15.473 -16.290 -14.512 1.00 0.00 O ATOM 0 H ASP A 30 15.275 -14.109 -11.211 1.00 0.00 H new ATOM 0 HA ASP A 30 17.493 -13.567 -12.774 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.572 -14.094 -13.291 1.00 0.00 H new ATOM 0 HB3 ASP A 30 15.582 -13.606 -14.637 1.00 0.00 H new ATOM 432 N LEU A 31 15.225 -11.158 -12.932 1.00 0.00 N ATOM 433 CA LEU A 31 15.031 -9.755 -13.280 1.00 0.00 C ATOM 434 C LEU A 31 16.107 -8.882 -12.642 1.00 0.00 C ATOM 435 O LEU A 31 16.677 -8.008 -13.295 1.00 0.00 O ATOM 436 CB LEU A 31 13.645 -9.285 -12.832 1.00 0.00 C ATOM 437 CG LEU A 31 12.503 -9.526 -13.820 1.00 0.00 C ATOM 438 CD1 LEU A 31 12.641 -8.613 -15.028 1.00 0.00 C ATOM 439 CD2 LEU A 31 12.471 -10.984 -14.252 1.00 0.00 C ATOM 0 H LEU A 31 14.398 -11.615 -12.548 1.00 0.00 H new ATOM 0 HA LEU A 31 15.108 -9.661 -14.363 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.399 -9.784 -11.895 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.696 -8.217 -12.620 1.00 0.00 H new ATOM 0 HG LEU A 31 11.562 -9.295 -13.321 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.820 -8.799 -15.720 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.614 -7.573 -14.703 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.589 -8.812 -15.528 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.652 -11.137 -14.955 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.415 -11.242 -14.732 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.323 -11.619 -13.379 1.00 0.00 H new ATOM 451 N GLU A 32 16.381 -9.128 -11.365 1.00 0.00 N ATOM 452 CA GLU A 32 17.390 -8.364 -10.641 1.00 0.00 C ATOM 453 C GLU A 32 18.732 -8.412 -11.366 1.00 0.00 C ATOM 454 O GLU A 32 19.494 -7.445 -11.345 1.00 0.00 O ATOM 455 CB GLU A 32 17.547 -8.906 -9.218 1.00 0.00 C ATOM 456 CG GLU A 32 16.246 -8.944 -8.434 1.00 0.00 C ATOM 457 CD GLU A 32 16.362 -8.274 -7.079 1.00 0.00 C ATOM 458 OE1 GLU A 32 17.338 -8.563 -6.356 1.00 0.00 O ATOM 459 OE2 GLU A 32 15.476 -7.462 -6.740 1.00 0.00 O ATOM 0 H GLU A 32 15.919 -9.849 -10.811 1.00 0.00 H new ATOM 0 HA GLU A 32 17.059 -7.326 -10.593 1.00 0.00 H new ATOM 0 HB2 GLU A 32 17.962 -9.913 -9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 32 18.267 -8.289 -8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 32 15.463 -8.453 -9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 32 15.939 -9.981 -8.297 1.00 0.00 H new ATOM 466 N GLN A 33 19.014 -9.543 -12.004 1.00 0.00 N ATOM 467 CA GLN A 33 20.264 -9.717 -12.734 1.00 0.00 C ATOM 468 C GLN A 33 20.420 -8.646 -13.809 1.00 0.00 C ATOM 469 O GLN A 33 21.532 -8.209 -14.108 1.00 0.00 O ATOM 470 CB GLN A 33 20.318 -11.107 -13.370 1.00 0.00 C ATOM 471 CG GLN A 33 21.731 -11.642 -13.544 1.00 0.00 C ATOM 472 CD GLN A 33 21.987 -12.891 -12.724 1.00 0.00 C ATOM 473 OE1 GLN A 33 21.107 -13.739 -12.573 1.00 0.00 O ATOM 474 NE2 GLN A 33 23.196 -13.011 -12.189 1.00 0.00 N ATOM 0 H GLN A 33 18.394 -10.352 -12.030 1.00 0.00 H new ATOM 0 HA GLN A 33 21.086 -9.617 -12.026 1.00 0.00 H new ATOM 0 HB2 GLN A 33 19.749 -11.802 -12.753 1.00 0.00 H new ATOM 0 HB3 GLN A 33 19.829 -11.071 -14.344 1.00 0.00 H new ATOM 0 HG2 GLN A 33 21.905 -11.861 -14.597 1.00 0.00 H new ATOM 0 HG3 GLN A 33 22.445 -10.871 -13.257 1.00 0.00 H new ATOM 0 HE21 GLN A 33 23.895 -12.284 -12.340 1.00 0.00 H new ATOM 0 HE22 GLN A 33 23.426 -13.831 -11.627 1.00 0.00 H new ATOM 483 N LEU A 34 19.300 -8.228 -14.388 1.00 0.00 N ATOM 484 CA LEU A 34 19.312 -7.208 -15.431 1.00 0.00 C ATOM 485 C LEU A 34 19.623 -5.835 -14.845 1.00 0.00 C ATOM 486 O LEU A 34 19.639 -5.657 -13.627 1.00 0.00 O ATOM 487 CB LEU A 34 17.964 -7.173 -16.153 1.00 0.00 C ATOM 488 CG LEU A 34 17.507 -8.488 -16.786 1.00 0.00 C ATOM 489 CD1 LEU A 34 16.041 -8.410 -17.182 1.00 0.00 C ATOM 490 CD2 LEU A 34 18.370 -8.827 -17.993 1.00 0.00 C ATOM 0 H LEU A 34 18.372 -8.580 -14.153 1.00 0.00 H new ATOM 0 HA LEU A 34 20.094 -7.464 -16.146 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.202 -6.851 -15.443 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.013 -6.414 -16.934 1.00 0.00 H new ATOM 0 HG LEU A 34 17.620 -9.282 -16.048 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.735 -9.355 -17.631 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.435 -8.215 -16.297 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.901 -7.604 -17.903 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.031 -9.766 -18.431 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.289 -8.031 -18.733 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.409 -8.927 -17.680 1.00 0.00 H new ATOM 502 N ARG A 35 19.868 -4.866 -15.721 1.00 0.00 N ATOM 503 CA ARG A 35 20.178 -3.507 -15.291 1.00 0.00 C ATOM 504 C ARG A 35 18.948 -2.833 -14.691 1.00 0.00 C ATOM 505 O ARG A 35 17.989 -2.525 -15.397 1.00 0.00 O ATOM 506 CB ARG A 35 20.701 -2.683 -16.470 1.00 0.00 C ATOM 507 CG ARG A 35 21.478 -1.446 -16.051 1.00 0.00 C ATOM 508 CD ARG A 35 21.920 -0.631 -17.256 1.00 0.00 C ATOM 509 NE ARG A 35 23.219 0.001 -17.042 1.00 0.00 N ATOM 510 CZ ARG A 35 23.389 1.106 -16.324 1.00 0.00 C ATOM 511 NH1 ARG A 35 22.348 1.697 -15.754 1.00 0.00 N ATOM 512 NH2 ARG A 35 24.602 1.622 -16.175 1.00 0.00 N ATOM 0 H ARG A 35 19.858 -4.996 -16.733 1.00 0.00 H new ATOM 0 HA ARG A 35 20.951 -3.562 -14.524 1.00 0.00 H new ATOM 0 HB2 ARG A 35 21.342 -3.313 -17.087 1.00 0.00 H new ATOM 0 HB3 ARG A 35 19.859 -2.379 -17.092 1.00 0.00 H new ATOM 0 HG2 ARG A 35 20.858 -0.829 -15.400 1.00 0.00 H new ATOM 0 HG3 ARG A 35 22.352 -1.743 -15.471 1.00 0.00 H new ATOM 0 HD2 ARG A 35 21.971 -1.278 -18.132 1.00 0.00 H new ATOM 0 HD3 ARG A 35 21.175 0.135 -17.469 1.00 0.00 H new ATOM 0 HE ARG A 35 24.040 -0.429 -17.467 1.00 0.00 H new ATOM 0 HH11 ARG A 35 21.414 1.303 -15.866 1.00 0.00 H new ATOM 0 HH12 ARG A 35 22.481 2.545 -15.203 1.00 0.00 H new ATOM 0 HH21 ARG A 35 25.406 1.170 -16.612 1.00 0.00 H new ATOM 0 HH22 ARG A 35 24.731 2.470 -15.624 1.00 0.00 H new ATOM 526 N LYS A 36 18.984 -2.608 -13.382 1.00 0.00 N ATOM 527 CA LYS A 36 17.873 -1.970 -12.685 1.00 0.00 C ATOM 528 C LYS A 36 17.691 -0.530 -13.155 1.00 0.00 C ATOM 529 O LYS A 36 18.408 0.370 -12.719 1.00 0.00 O ATOM 530 CB LYS A 36 18.110 -1.998 -11.173 1.00 0.00 C ATOM 531 CG LYS A 36 17.362 -3.111 -10.461 1.00 0.00 C ATOM 532 CD LYS A 36 18.013 -4.463 -10.702 1.00 0.00 C ATOM 533 CE LYS A 36 19.028 -4.794 -9.618 1.00 0.00 C ATOM 534 NZ LYS A 36 20.369 -4.222 -9.921 1.00 0.00 N ATOM 0 H LYS A 36 19.770 -2.858 -12.782 1.00 0.00 H new ATOM 0 HA LYS A 36 16.964 -2.526 -12.915 1.00 0.00 H new ATOM 0 HB2 LYS A 36 19.177 -2.110 -10.983 1.00 0.00 H new ATOM 0 HB3 LYS A 36 17.809 -1.040 -10.749 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.334 -2.905 -9.391 1.00 0.00 H new ATOM 0 HG3 LYS A 36 16.329 -3.136 -10.808 1.00 0.00 H new ATOM 0 HD2 LYS A 36 17.246 -5.237 -10.732 1.00 0.00 H new ATOM 0 HD3 LYS A 36 18.505 -4.463 -11.675 1.00 0.00 H new ATOM 0 HE2 LYS A 36 18.676 -4.408 -8.661 1.00 0.00 H new ATOM 0 HE3 LYS A 36 19.110 -5.876 -9.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 21.100 -4.771 -9.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 20.540 -4.263 -10.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 20.404 -3.232 -9.604 1.00 0.00 H new ATOM 782 N VAL A 51 11.685 -0.558 -13.416 1.00 0.00 N ATOM 783 CA VAL A 51 11.419 -1.017 -14.774 1.00 0.00 C ATOM 784 C VAL A 51 12.663 -1.640 -15.396 1.00 0.00 C ATOM 785 O VAL A 51 13.772 -1.483 -14.884 1.00 0.00 O ATOM 786 CB VAL A 51 10.933 0.137 -15.671 1.00 0.00 C ATOM 787 CG1 VAL A 51 9.697 0.792 -15.075 1.00 0.00 C ATOM 788 CG2 VAL A 51 12.042 1.157 -15.875 1.00 0.00 C ATOM 0 HA VAL A 51 10.634 -1.770 -14.706 1.00 0.00 H new ATOM 0 HB VAL A 51 10.664 -0.272 -16.645 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.368 1.605 -15.722 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.900 0.053 -14.987 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.935 1.188 -14.088 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.681 1.965 -16.511 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.345 1.563 -14.910 1.00 0.00 H new ATOM 0 HG23 VAL A 51 12.896 0.675 -16.350 1.00 0.00 H new ATOM 798 N TYR A 52 12.473 -2.348 -16.504 1.00 0.00 N ATOM 799 CA TYR A 52 13.580 -2.998 -17.196 1.00 0.00 C ATOM 800 C TYR A 52 13.489 -2.770 -18.702 1.00 0.00 C ATOM 801 O TYR A 52 12.496 -2.241 -19.204 1.00 0.00 O ATOM 802 CB TYR A 52 13.587 -4.497 -16.896 1.00 0.00 C ATOM 803 CG TYR A 52 13.776 -4.820 -15.431 1.00 0.00 C ATOM 804 CD1 TYR A 52 14.970 -4.526 -14.783 1.00 0.00 C ATOM 805 CD2 TYR A 52 12.761 -5.419 -14.695 1.00 0.00 C ATOM 806 CE1 TYR A 52 15.147 -4.821 -13.445 1.00 0.00 C ATOM 807 CE2 TYR A 52 12.929 -5.715 -13.356 1.00 0.00 C ATOM 808 CZ TYR A 52 14.124 -5.415 -12.736 1.00 0.00 C ATOM 809 OH TYR A 52 14.296 -5.708 -11.402 1.00 0.00 O ATOM 0 H TYR A 52 11.562 -2.486 -16.942 1.00 0.00 H new ATOM 0 HA TYR A 52 14.510 -2.558 -16.835 1.00 0.00 H new ATOM 0 HB2 TYR A 52 12.647 -4.932 -17.237 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.384 -4.970 -17.470 1.00 0.00 H new ATOM 0 HD1 TYR A 52 15.773 -4.059 -15.335 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.825 -5.657 -15.178 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.082 -4.588 -12.957 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.129 -6.179 -12.798 1.00 0.00 H new ATOM 0 HH TYR A 52 13.481 -6.122 -11.050 1.00 0.00 H new ATOM 819 N LEU A 53 14.533 -3.173 -19.418 1.00 0.00 N ATOM 820 CA LEU A 53 14.573 -3.014 -20.868 1.00 0.00 C ATOM 821 C LEU A 53 13.834 -4.155 -21.561 1.00 0.00 C ATOM 822 O LEU A 53 14.159 -5.326 -21.367 1.00 0.00 O ATOM 823 CB LEU A 53 16.022 -2.960 -21.355 1.00 0.00 C ATOM 824 CG LEU A 53 16.455 -1.658 -22.030 1.00 0.00 C ATOM 825 CD1 LEU A 53 15.692 -1.452 -23.330 1.00 0.00 C ATOM 826 CD2 LEU A 53 16.246 -0.477 -21.094 1.00 0.00 C ATOM 0 H LEU A 53 15.363 -3.612 -19.019 1.00 0.00 H new ATOM 0 HA LEU A 53 14.076 -2.077 -21.120 1.00 0.00 H new ATOM 0 HB2 LEU A 53 16.678 -3.140 -20.503 1.00 0.00 H new ATOM 0 HB3 LEU A 53 16.179 -3.779 -22.056 1.00 0.00 H new ATOM 0 HG LEU A 53 17.518 -1.727 -22.263 1.00 0.00 H new ATOM 0 HD11 LEU A 53 16.013 -0.521 -23.797 1.00 0.00 H new ATOM 0 HD12 LEU A 53 15.892 -2.284 -24.005 1.00 0.00 H new ATOM 0 HD13 LEU A 53 14.623 -1.404 -23.121 1.00 0.00 H new ATOM 0 HD21 LEU A 53 16.560 0.441 -21.591 1.00 0.00 H new ATOM 0 HD22 LEU A 53 15.191 -0.404 -20.830 1.00 0.00 H new ATOM 0 HD23 LEU A 53 16.838 -0.620 -20.190 1.00 0.00 H new ATOM 838 N ARG A 54 12.841 -3.803 -22.372 1.00 0.00 N ATOM 839 CA ARG A 54 12.057 -4.797 -23.095 1.00 0.00 C ATOM 840 C ARG A 54 12.966 -5.750 -23.867 1.00 0.00 C ATOM 841 O ARG A 54 12.737 -6.959 -23.891 1.00 0.00 O ATOM 842 CB ARG A 54 11.085 -4.111 -24.056 1.00 0.00 C ATOM 843 CG ARG A 54 9.740 -4.810 -24.165 1.00 0.00 C ATOM 844 CD ARG A 54 9.738 -5.842 -25.281 1.00 0.00 C ATOM 845 NE ARG A 54 9.069 -5.349 -26.482 1.00 0.00 N ATOM 846 CZ ARG A 54 7.753 -5.202 -26.583 1.00 0.00 C ATOM 847 NH1 ARG A 54 6.968 -5.509 -25.560 1.00 0.00 N ATOM 848 NH2 ARG A 54 7.219 -4.747 -27.709 1.00 0.00 N ATOM 0 H ARG A 54 12.561 -2.838 -22.545 1.00 0.00 H new ATOM 0 HA ARG A 54 11.489 -5.375 -22.366 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.926 -3.084 -23.726 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.540 -4.061 -25.045 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.503 -5.296 -23.218 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.959 -4.072 -24.349 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.765 -6.115 -25.524 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.241 -6.748 -24.935 1.00 0.00 H new ATOM 0 HE ARG A 54 9.644 -5.104 -27.288 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.374 -5.859 -24.692 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.958 -5.395 -25.640 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.819 -4.510 -28.499 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.208 -4.635 -27.785 1.00 0.00 H new ATOM 862 N SER A 55 13.996 -5.195 -24.498 1.00 0.00 N ATOM 863 CA SER A 55 14.936 -5.994 -25.274 1.00 0.00 C ATOM 864 C SER A 55 15.661 -6.999 -24.384 1.00 0.00 C ATOM 865 O SER A 55 15.840 -8.159 -24.756 1.00 0.00 O ATOM 866 CB SER A 55 15.953 -5.089 -25.972 1.00 0.00 C ATOM 867 OG SER A 55 15.399 -3.812 -26.239 1.00 0.00 O ATOM 0 H SER A 55 14.200 -4.196 -24.487 1.00 0.00 H new ATOM 0 HA SER A 55 14.371 -6.543 -26.027 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.839 -4.981 -25.346 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.276 -5.551 -26.905 1.00 0.00 H new ATOM 0 HG SER A 55 16.069 -3.251 -26.684 1.00 0.00 H new ATOM 873 N ASP A 56 16.075 -6.545 -23.206 1.00 0.00 N ATOM 874 CA ASP A 56 16.779 -7.403 -22.260 1.00 0.00 C ATOM 875 C ASP A 56 15.893 -8.562 -21.814 1.00 0.00 C ATOM 876 O ASP A 56 16.273 -9.728 -21.928 1.00 0.00 O ATOM 877 CB ASP A 56 17.232 -6.594 -21.044 1.00 0.00 C ATOM 878 CG ASP A 56 18.676 -6.145 -21.153 1.00 0.00 C ATOM 879 OD1 ASP A 56 18.966 -5.277 -22.002 1.00 0.00 O ATOM 880 OD2 ASP A 56 19.516 -6.662 -20.387 1.00 0.00 O ATOM 0 H ASP A 56 15.935 -5.588 -22.883 1.00 0.00 H new ATOM 0 HA ASP A 56 17.656 -7.812 -22.762 1.00 0.00 H new ATOM 0 HB2 ASP A 56 16.590 -5.720 -20.933 1.00 0.00 H new ATOM 0 HB3 ASP A 56 17.109 -7.196 -20.144 1.00 0.00 H new ATOM 885 N VAL A 57 14.710 -8.234 -21.304 1.00 0.00 N ATOM 886 CA VAL A 57 13.770 -9.247 -20.841 1.00 0.00 C ATOM 887 C VAL A 57 13.507 -10.289 -21.922 1.00 0.00 C ATOM 888 O VAL A 57 13.389 -11.480 -21.635 1.00 0.00 O ATOM 889 CB VAL A 57 12.430 -8.617 -20.415 1.00 0.00 C ATOM 890 CG1 VAL A 57 11.470 -9.687 -19.919 1.00 0.00 C ATOM 891 CG2 VAL A 57 12.656 -7.556 -19.349 1.00 0.00 C ATOM 0 H VAL A 57 14.380 -7.274 -21.201 1.00 0.00 H new ATOM 0 HA VAL A 57 14.227 -9.731 -19.978 1.00 0.00 H new ATOM 0 HB VAL A 57 11.982 -8.136 -21.285 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.529 -9.223 -19.623 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.284 -10.407 -20.716 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.907 -10.199 -19.062 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.699 -7.121 -19.060 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.127 -8.011 -18.477 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.304 -6.775 -19.745 1.00 0.00 H new ATOM 901 N GLU A 58 13.418 -9.833 -23.168 1.00 0.00 N ATOM 902 CA GLU A 58 13.170 -10.726 -24.293 1.00 0.00 C ATOM 903 C GLU A 58 14.170 -11.879 -24.303 1.00 0.00 C ATOM 904 O GLU A 58 13.801 -13.033 -24.515 1.00 0.00 O ATOM 905 CB GLU A 58 13.249 -9.956 -25.612 1.00 0.00 C ATOM 906 CG GLU A 58 12.944 -10.807 -26.833 1.00 0.00 C ATOM 907 CD GLU A 58 13.405 -10.161 -28.125 1.00 0.00 C ATOM 908 OE1 GLU A 58 13.804 -8.978 -28.088 1.00 0.00 O ATOM 909 OE2 GLU A 58 13.366 -10.838 -29.174 1.00 0.00 O ATOM 0 H GLU A 58 13.514 -8.850 -23.423 1.00 0.00 H new ATOM 0 HA GLU A 58 12.167 -11.138 -24.182 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.549 -9.121 -25.578 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.248 -9.531 -25.716 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.427 -11.778 -26.724 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.871 -10.989 -26.885 1.00 0.00 H new ATOM 916 N ALA A 59 15.439 -11.556 -24.074 1.00 0.00 N ATOM 917 CA ALA A 59 16.492 -12.563 -24.055 1.00 0.00 C ATOM 918 C ALA A 59 16.481 -13.346 -22.747 1.00 0.00 C ATOM 919 O ALA A 59 16.802 -14.534 -22.719 1.00 0.00 O ATOM 920 CB ALA A 59 17.850 -11.910 -24.270 1.00 0.00 C ATOM 0 H ALA A 59 15.762 -10.604 -23.899 1.00 0.00 H new ATOM 0 HA ALA A 59 16.304 -13.264 -24.868 1.00 0.00 H new ATOM 0 HB1 ALA A 59 18.628 -12.674 -24.253 1.00 0.00 H new ATOM 0 HB2 ALA A 59 17.861 -11.402 -25.234 1.00 0.00 H new ATOM 0 HB3 ALA A 59 18.035 -11.186 -23.476 1.00 0.00 H new ATOM 926 N LYS A 60 16.109 -12.672 -21.663 1.00 0.00 N ATOM 927 CA LYS A 60 16.055 -13.304 -20.350 1.00 0.00 C ATOM 928 C LYS A 60 15.147 -14.530 -20.374 1.00 0.00 C ATOM 929 O LYS A 60 15.315 -15.453 -19.577 1.00 0.00 O ATOM 930 CB LYS A 60 15.556 -12.307 -19.302 1.00 0.00 C ATOM 931 CG LYS A 60 15.407 -12.907 -17.914 1.00 0.00 C ATOM 932 CD LYS A 60 16.751 -13.310 -17.333 1.00 0.00 C ATOM 933 CE LYS A 60 17.520 -12.103 -16.818 1.00 0.00 C ATOM 934 NZ LYS A 60 18.945 -12.432 -16.536 1.00 0.00 N ATOM 0 H LYS A 60 15.841 -11.688 -21.668 1.00 0.00 H new ATOM 0 HA LYS A 60 17.063 -13.625 -20.086 1.00 0.00 H new ATOM 0 HB2 LYS A 60 16.249 -11.467 -19.253 1.00 0.00 H new ATOM 0 HB3 LYS A 60 14.593 -11.908 -19.622 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.926 -12.185 -17.254 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.754 -13.779 -17.962 1.00 0.00 H new ATOM 0 HD2 LYS A 60 16.599 -14.020 -16.520 1.00 0.00 H new ATOM 0 HD3 LYS A 60 17.340 -13.820 -18.095 1.00 0.00 H new ATOM 0 HE2 LYS A 60 17.471 -11.300 -17.554 1.00 0.00 H new ATOM 0 HE3 LYS A 60 17.046 -11.731 -15.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 19.491 -11.553 -16.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 19.007 -12.981 -15.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 19.334 -12.992 -17.321 1.00 0.00 H new ATOM 948 N SER A 61 14.186 -14.532 -21.292 1.00 0.00 N ATOM 949 CA SER A 61 13.251 -15.643 -21.418 1.00 0.00 C ATOM 950 C SER A 61 13.861 -16.778 -22.235 1.00 0.00 C ATOM 951 O SER A 61 13.493 -17.942 -22.075 1.00 0.00 O ATOM 952 CB SER A 61 11.950 -15.172 -22.070 1.00 0.00 C ATOM 953 OG SER A 61 11.887 -15.570 -23.428 1.00 0.00 O ATOM 0 H SER A 61 14.035 -13.776 -21.960 1.00 0.00 H new ATOM 0 HA SER A 61 13.033 -16.016 -20.417 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.098 -15.583 -21.528 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.878 -14.087 -22.002 1.00 0.00 H new ATOM 0 HG SER A 61 11.045 -15.258 -23.822 1.00 0.00 H new ATOM 959 N LEU A 62 14.796 -16.429 -23.113 1.00 0.00 N ATOM 960 CA LEU A 62 15.459 -17.417 -23.957 1.00 0.00 C ATOM 961 C LEU A 62 16.609 -18.086 -23.212 1.00 0.00 C ATOM 962 O LEU A 62 16.894 -19.264 -23.421 1.00 0.00 O ATOM 963 CB LEU A 62 15.979 -16.757 -25.236 1.00 0.00 C ATOM 964 CG LEU A 62 15.019 -15.790 -25.929 1.00 0.00 C ATOM 965 CD1 LEU A 62 15.613 -15.297 -27.240 1.00 0.00 C ATOM 966 CD2 LEU A 62 13.672 -16.454 -26.169 1.00 0.00 C ATOM 0 H LEU A 62 15.112 -15.470 -23.259 1.00 0.00 H new ATOM 0 HA LEU A 62 14.729 -18.182 -24.221 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.896 -16.218 -24.996 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.246 -17.542 -25.944 1.00 0.00 H new ATOM 0 HG LEU A 62 14.866 -14.931 -25.276 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.916 -14.610 -27.720 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.553 -14.782 -27.043 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.796 -16.146 -27.898 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.002 -15.750 -26.663 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.806 -17.332 -26.801 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.240 -16.757 -25.215 1.00 0.00 H new ATOM 978 N GLU A 63 17.265 -17.325 -22.341 1.00 0.00 N ATOM 979 CA GLU A 63 18.384 -17.846 -21.564 1.00 0.00 C ATOM 980 C GLU A 63 17.892 -18.776 -20.458 1.00 0.00 C ATOM 981 O GLU A 63 18.624 -19.654 -20.000 1.00 0.00 O ATOM 982 CB GLU A 63 19.191 -16.696 -20.957 1.00 0.00 C ATOM 983 CG GLU A 63 18.502 -16.022 -19.783 1.00 0.00 C ATOM 984 CD GLU A 63 19.074 -16.452 -18.446 1.00 0.00 C ATOM 985 OE1 GLU A 63 19.136 -17.673 -18.192 1.00 0.00 O ATOM 986 OE2 GLU A 63 19.459 -15.567 -17.654 1.00 0.00 O ATOM 0 H GLU A 63 17.041 -16.347 -22.156 1.00 0.00 H new ATOM 0 HA GLU A 63 19.026 -18.416 -22.236 1.00 0.00 H new ATOM 0 HB2 GLU A 63 20.159 -17.076 -20.630 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.385 -15.952 -21.730 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.596 -14.941 -19.883 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.437 -16.253 -19.810 1.00 0.00 H new ATOM 993 N VAL A 64 16.649 -18.576 -20.035 1.00 0.00 N ATOM 994 CA VAL A 64 16.058 -19.396 -18.983 1.00 0.00 C ATOM 995 C VAL A 64 15.330 -20.600 -19.570 1.00 0.00 C ATOM 996 O VAL A 64 15.805 -21.732 -19.473 1.00 0.00 O ATOM 997 CB VAL A 64 15.072 -18.582 -18.124 1.00 0.00 C ATOM 998 CG1 VAL A 64 14.426 -19.468 -17.070 1.00 0.00 C ATOM 999 CG2 VAL A 64 15.779 -17.400 -17.479 1.00 0.00 C ATOM 0 H VAL A 64 16.031 -17.853 -20.404 1.00 0.00 H new ATOM 0 HA VAL A 64 16.877 -19.742 -18.352 1.00 0.00 H new ATOM 0 HB VAL A 64 14.285 -18.196 -18.771 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.733 -18.876 -16.473 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.884 -20.278 -17.558 1.00 0.00 H new ATOM 0 HG13 VAL A 64 15.198 -19.885 -16.423 1.00 0.00 H new ATOM 0 HG21 VAL A 64 15.068 -16.836 -16.876 1.00 0.00 H new ATOM 0 HG22 VAL A 64 16.587 -17.762 -16.843 1.00 0.00 H new ATOM 0 HG23 VAL A 64 16.189 -16.754 -18.255 1.00 0.00 H new ATOM 1009 N TRP A 65 14.177 -20.349 -20.177 1.00 0.00 N ATOM 1010 CA TRP A 65 13.383 -21.414 -20.780 1.00 0.00 C ATOM 1011 C TRP A 65 14.169 -22.125 -21.876 1.00 0.00 C ATOM 1012 O TRP A 65 13.916 -23.291 -22.177 1.00 0.00 O ATOM 1013 CB TRP A 65 12.083 -20.846 -21.354 1.00 0.00 C ATOM 1014 CG TRP A 65 11.013 -20.651 -20.323 1.00 0.00 C ATOM 1015 CD1 TRP A 65 10.710 -19.493 -19.666 1.00 0.00 C ATOM 1016 CD2 TRP A 65 10.108 -21.644 -19.830 1.00 0.00 C ATOM 1017 NE1 TRP A 65 9.670 -19.707 -18.793 1.00 0.00 N ATOM 1018 CE2 TRP A 65 9.282 -21.018 -18.876 1.00 0.00 C ATOM 1019 CE3 TRP A 65 9.912 -23.001 -20.102 1.00 0.00 C ATOM 1020 CZ2 TRP A 65 8.279 -21.703 -18.195 1.00 0.00 C ATOM 1021 CZ3 TRP A 65 8.917 -23.680 -19.425 1.00 0.00 C ATOM 1022 CH2 TRP A 65 8.110 -23.031 -18.481 1.00 0.00 C ATOM 0 H TRP A 65 13.770 -19.418 -20.265 1.00 0.00 H new ATOM 0 HA TRP A 65 13.143 -22.139 -20.003 1.00 0.00 H new ATOM 0 HB2 TRP A 65 12.293 -19.890 -21.834 1.00 0.00 H new ATOM 0 HB3 TRP A 65 11.713 -21.517 -22.129 1.00 0.00 H new ATOM 0 HD1 TRP A 65 11.213 -18.548 -19.811 1.00 0.00 H new ATOM 0 HE1 TRP A 65 9.255 -19.004 -18.182 1.00 0.00 H new ATOM 0 HE3 TRP A 65 10.528 -23.510 -20.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 7.656 -21.204 -17.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 8.759 -24.729 -19.627 1.00 0.00 H new ATOM 0 HH2 TRP A 65 7.340 -23.589 -17.969 1.00 0.00 H new ATOM 1033 N GLY A 66 15.125 -21.416 -22.469 1.00 0.00 N ATOM 1034 CA GLY A 66 15.933 -21.997 -23.525 1.00 0.00 C ATOM 1035 C GLY A 66 15.587 -21.442 -24.892 1.00 0.00 C ATOM 1036 O GLY A 66 16.473 -21.179 -25.705 1.00 0.00 O ATOM 0 H GLY A 66 15.354 -20.450 -22.237 1.00 0.00 H new ATOM 0 HA2 GLY A 66 16.986 -21.810 -23.317 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.796 -23.078 -23.530 1.00 0.00 H new ATOM 1040 N SER A 67 14.294 -21.265 -25.147 1.00 0.00 N ATOM 1041 CA SER A 67 13.833 -20.743 -26.428 1.00 0.00 C ATOM 1042 C SER A 67 12.506 -20.008 -26.269 1.00 0.00 C ATOM 1043 O SER A 67 11.779 -20.191 -25.292 1.00 0.00 O ATOM 1044 CB SER A 67 13.680 -21.880 -27.441 1.00 0.00 C ATOM 1045 OG SER A 67 13.619 -23.138 -26.791 1.00 0.00 O ATOM 0 H SER A 67 13.548 -21.475 -24.484 1.00 0.00 H new ATOM 0 HA SER A 67 14.579 -20.037 -26.794 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.776 -21.727 -28.030 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.519 -21.867 -28.137 1.00 0.00 H new ATOM 0 HG SER A 67 13.520 -23.847 -27.460 1.00 0.00 H new ATOM 1051 N PRO A 68 12.181 -19.155 -27.252 1.00 0.00 N ATOM 1052 CA PRO A 68 10.941 -18.374 -27.245 1.00 0.00 C ATOM 1053 C PRO A 68 9.707 -19.244 -27.460 1.00 0.00 C ATOM 1054 O PRO A 68 8.590 -18.844 -27.134 1.00 0.00 O ATOM 1055 CB PRO A 68 11.123 -17.407 -28.417 1.00 0.00 C ATOM 1056 CG PRO A 68 12.078 -18.096 -29.331 1.00 0.00 C ATOM 1057 CD PRO A 68 13.000 -18.887 -28.446 1.00 0.00 C ATOM 0 HA PRO A 68 10.777 -17.879 -26.288 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.175 -17.205 -28.915 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.518 -16.448 -28.082 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.550 -18.748 -30.027 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.635 -17.375 -29.929 1.00 0.00 H new ATOM 0 HD2 PRO A 68 13.324 -19.810 -28.926 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.900 -18.324 -28.198 1.00 0.00 H new ATOM 1065 N GLU A 69 9.917 -20.437 -28.009 1.00 0.00 N ATOM 1066 CA GLU A 69 8.821 -21.362 -28.266 1.00 0.00 C ATOM 1067 C GLU A 69 8.325 -21.993 -26.968 1.00 0.00 C ATOM 1068 O GLU A 69 7.162 -22.380 -26.859 1.00 0.00 O ATOM 1069 CB GLU A 69 9.265 -22.456 -29.240 1.00 0.00 C ATOM 1070 CG GLU A 69 9.503 -21.952 -30.654 1.00 0.00 C ATOM 1071 CD GLU A 69 10.811 -22.451 -31.238 1.00 0.00 C ATOM 1072 OE1 GLU A 69 10.976 -23.683 -31.358 1.00 0.00 O ATOM 1073 OE2 GLU A 69 11.668 -21.608 -31.577 1.00 0.00 O ATOM 0 H GLU A 69 10.836 -20.784 -28.284 1.00 0.00 H new ATOM 0 HA GLU A 69 8.002 -20.798 -28.712 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.182 -22.913 -28.867 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.506 -23.238 -29.265 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.679 -22.270 -31.293 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.502 -20.862 -30.652 1.00 0.00 H new ATOM 1080 N ALA A 70 9.216 -22.093 -25.988 1.00 0.00 N ATOM 1081 CA ALA A 70 8.869 -22.675 -24.697 1.00 0.00 C ATOM 1082 C ALA A 70 7.925 -21.764 -23.920 1.00 0.00 C ATOM 1083 O ALA A 70 6.921 -22.218 -23.370 1.00 0.00 O ATOM 1084 CB ALA A 70 10.128 -22.948 -23.886 1.00 0.00 C ATOM 0 H ALA A 70 10.183 -21.779 -26.063 1.00 0.00 H new ATOM 0 HA ALA A 70 8.354 -23.619 -24.878 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.854 -23.382 -22.924 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.767 -23.644 -24.430 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.665 -22.014 -23.722 1.00 0.00 H new ATOM 1090 N LEU A 71 8.252 -20.478 -23.878 1.00 0.00 N ATOM 1091 CA LEU A 71 7.433 -19.502 -23.168 1.00 0.00 C ATOM 1092 C LEU A 71 6.096 -19.298 -23.872 1.00 0.00 C ATOM 1093 O LEU A 71 5.054 -19.186 -23.227 1.00 0.00 O ATOM 1094 CB LEU A 71 8.173 -18.168 -23.057 1.00 0.00 C ATOM 1095 CG LEU A 71 7.338 -16.972 -22.600 1.00 0.00 C ATOM 1096 CD1 LEU A 71 6.802 -17.202 -21.195 1.00 0.00 C ATOM 1097 CD2 LEU A 71 8.161 -15.694 -22.656 1.00 0.00 C ATOM 0 H LEU A 71 9.079 -20.086 -24.328 1.00 0.00 H new ATOM 0 HA LEU A 71 7.240 -19.887 -22.167 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.003 -18.293 -22.361 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.605 -17.933 -24.030 1.00 0.00 H new ATOM 0 HG LEU A 71 6.491 -16.864 -23.277 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.210 -16.341 -20.886 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.176 -18.094 -21.186 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.635 -17.336 -20.505 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.550 -14.853 -22.327 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.028 -15.790 -22.002 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.496 -15.521 -23.679 1.00 0.00 H new ATOM 1109 N ALA A 72 6.133 -19.251 -25.200 1.00 0.00 N ATOM 1110 CA ALA A 72 4.924 -19.065 -25.993 1.00 0.00 C ATOM 1111 C ALA A 72 3.860 -20.092 -25.621 1.00 0.00 C ATOM 1112 O ALA A 72 2.663 -19.831 -25.742 1.00 0.00 O ATOM 1113 CB ALA A 72 5.248 -19.151 -27.477 1.00 0.00 C ATOM 0 H ALA A 72 6.988 -19.339 -25.749 1.00 0.00 H new ATOM 0 HA ALA A 72 4.526 -18.074 -25.776 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.336 -19.010 -28.057 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.967 -18.375 -27.738 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.673 -20.130 -27.701 1.00 0.00 H new ATOM 1119 N ARG A 73 4.304 -21.260 -25.168 1.00 0.00 N ATOM 1120 CA ARG A 73 3.389 -22.327 -24.780 1.00 0.00 C ATOM 1121 C ARG A 73 2.519 -21.895 -23.604 1.00 0.00 C ATOM 1122 O ARG A 73 1.355 -22.284 -23.505 1.00 0.00 O ATOM 1123 CB ARG A 73 4.171 -23.590 -24.414 1.00 0.00 C ATOM 1124 CG ARG A 73 5.103 -24.070 -25.515 1.00 0.00 C ATOM 1125 CD ARG A 73 4.649 -25.404 -26.086 1.00 0.00 C ATOM 1126 NE ARG A 73 5.101 -26.530 -25.271 1.00 0.00 N ATOM 1127 CZ ARG A 73 4.987 -27.799 -25.645 1.00 0.00 C ATOM 1128 NH1 ARG A 73 4.440 -28.104 -26.814 1.00 0.00 N ATOM 1129 NH2 ARG A 73 5.422 -28.768 -24.849 1.00 0.00 N ATOM 0 H ARG A 73 5.292 -21.491 -25.061 1.00 0.00 H new ATOM 0 HA ARG A 73 2.741 -22.543 -25.629 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.755 -23.398 -23.514 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.467 -24.386 -24.173 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.141 -23.326 -26.311 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.114 -24.167 -25.121 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.561 -25.418 -26.153 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.032 -25.514 -27.100 1.00 0.00 H new ATOM 0 HE ARG A 73 5.527 -26.330 -24.366 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.105 -27.363 -27.429 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.354 -29.080 -27.098 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.844 -28.538 -23.949 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.334 -29.743 -25.137 1.00 0.00 H new ATOM 1143 N GLU A 74 3.092 -21.091 -22.714 1.00 0.00 N ATOM 1144 CA GLU A 74 2.368 -20.608 -21.544 1.00 0.00 C ATOM 1145 C GLU A 74 1.645 -19.300 -21.852 1.00 0.00 C ATOM 1146 O GLU A 74 0.553 -19.045 -21.342 1.00 0.00 O ATOM 1147 CB GLU A 74 3.328 -20.408 -20.369 1.00 0.00 C ATOM 1148 CG GLU A 74 3.859 -21.708 -19.789 1.00 0.00 C ATOM 1149 CD GLU A 74 3.111 -22.141 -18.543 1.00 0.00 C ATOM 1150 OE1 GLU A 74 1.957 -22.600 -18.673 1.00 0.00 O ATOM 1151 OE2 GLU A 74 3.680 -22.020 -17.438 1.00 0.00 O ATOM 0 H GLU A 74 4.055 -20.761 -22.781 1.00 0.00 H new ATOM 0 HA GLU A 74 1.625 -21.358 -21.274 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.168 -19.796 -20.697 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.817 -19.852 -19.584 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.788 -22.493 -20.542 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.916 -21.590 -19.551 1.00 0.00 H new ATOM 1158 N LYS A 75 2.261 -18.474 -22.690 1.00 0.00 N ATOM 1159 CA LYS A 75 1.678 -17.192 -23.068 1.00 0.00 C ATOM 1160 C LYS A 75 0.258 -17.374 -23.593 1.00 0.00 C ATOM 1161 O LYS A 75 -0.618 -16.545 -23.346 1.00 0.00 O ATOM 1162 CB LYS A 75 2.543 -16.509 -24.131 1.00 0.00 C ATOM 1163 CG LYS A 75 3.945 -16.177 -23.652 1.00 0.00 C ATOM 1164 CD LYS A 75 4.427 -14.850 -24.215 1.00 0.00 C ATOM 1165 CE LYS A 75 4.246 -13.721 -23.213 1.00 0.00 C ATOM 1166 NZ LYS A 75 4.088 -12.401 -23.886 1.00 0.00 N ATOM 0 H LYS A 75 3.165 -18.669 -23.121 1.00 0.00 H new ATOM 0 HA LYS A 75 1.640 -16.562 -22.179 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.610 -17.158 -25.004 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.051 -15.591 -24.453 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.959 -16.138 -22.563 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.630 -16.970 -23.951 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.479 -14.930 -24.488 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.877 -14.620 -25.128 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.370 -13.921 -22.595 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.106 -13.687 -22.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.967 -11.658 -23.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.934 -12.198 -24.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.252 -12.424 -24.504 1.00 0.00 H new