USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 412 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 44 ASN : amide:sc= -0.207 X(o=-0.21,f=-0.53) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -81:sc= 0.013 USER MOD Single : A 27 GLN : amide:sc= -0.0396 X(o=-0.04,f=-0.36) USER MOD Single : A 35 SER OG : rot 11:sc= 0.23! USER MOD Single : A 47 MET CE :methyl 162:sc= 0 (180deg=-0.0485) USER MOD Single : A 57 CYS SG : rot 5:sc= -0.826 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.175 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 209 N GLY A 17 8.022 1.367 3.538 1.00 0.00 N ATOM 210 CA GLY A 17 7.284 2.006 4.613 1.00 0.00 C ATOM 211 C GLY A 17 6.076 1.199 5.046 1.00 0.00 C ATOM 212 O GLY A 17 6.206 0.041 5.446 1.00 0.00 O ATOM 0 HA2 GLY A 17 7.945 2.151 5.467 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.959 2.995 4.289 1.00 0.00 H new ATOM 216 N ILE A 18 4.899 1.811 4.969 1.00 0.00 N ATOM 217 CA ILE A 18 3.664 1.142 5.357 1.00 0.00 C ATOM 218 C ILE A 18 3.031 0.424 4.170 1.00 0.00 C ATOM 219 O ILE A 18 2.948 0.972 3.070 1.00 0.00 O ATOM 220 CB ILE A 18 2.645 2.136 5.944 1.00 0.00 C ATOM 221 CG1 ILE A 18 3.218 2.810 7.193 1.00 0.00 C ATOM 222 CG2 ILE A 18 1.339 1.427 6.269 1.00 0.00 C ATOM 223 CD1 ILE A 18 2.452 4.042 7.619 1.00 0.00 C ATOM 0 H ILE A 18 4.775 2.769 4.641 1.00 0.00 H new ATOM 0 HA ILE A 18 3.928 0.412 6.122 1.00 0.00 H new ATOM 0 HB ILE A 18 2.441 2.906 5.200 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.222 2.093 8.014 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.256 3.084 7.004 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.629 2.143 6.683 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.926 0.991 5.360 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.525 0.638 6.998 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.914 4.468 8.510 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.469 4.777 6.815 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.420 3.770 7.840 1.00 0.00 H new ATOM 235 N THR A 19 2.583 -0.807 4.399 1.00 0.00 N ATOM 236 CA THR A 19 1.957 -1.600 3.349 1.00 0.00 C ATOM 237 C THR A 19 0.537 -1.999 3.735 1.00 0.00 C ATOM 238 O THR A 19 0.241 -2.217 4.909 1.00 0.00 O ATOM 239 CB THR A 19 2.771 -2.872 3.045 1.00 0.00 C ATOM 240 OG1 THR A 19 2.759 -3.745 4.180 1.00 0.00 O ATOM 241 CG2 THR A 19 4.206 -2.523 2.683 1.00 0.00 C ATOM 0 H THR A 19 2.642 -1.276 5.303 1.00 0.00 H new ATOM 0 HA THR A 19 1.926 -0.975 2.456 1.00 0.00 H new ATOM 0 HB THR A 19 2.311 -3.376 2.195 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.277 -4.552 3.978 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.761 -3.437 2.473 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.213 -1.883 1.801 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.674 -1.998 3.516 1.00 0.00 H new ATOM 249 N ALA A 20 -0.337 -2.094 2.738 1.00 0.00 N ATOM 250 CA ALA A 20 -1.726 -2.470 2.974 1.00 0.00 C ATOM 251 C ALA A 20 -2.255 -3.351 1.846 1.00 0.00 C ATOM 252 O ALA A 20 -1.685 -3.390 0.756 1.00 0.00 O ATOM 253 CB ALA A 20 -2.590 -1.228 3.125 1.00 0.00 C ATOM 0 H ALA A 20 -0.108 -1.916 1.760 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.769 -3.044 3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.624 -1.523 3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.233 -0.637 3.968 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.533 -0.632 2.214 1.00 0.00 H new ATOM 259 N VAL A 21 -3.348 -4.057 2.117 1.00 0.00 N ATOM 260 CA VAL A 21 -3.954 -4.937 1.125 1.00 0.00 C ATOM 261 C VAL A 21 -5.403 -4.547 0.857 1.00 0.00 C ATOM 262 O VAL A 21 -6.218 -4.476 1.776 1.00 0.00 O ATOM 263 CB VAL A 21 -3.905 -6.409 1.576 1.00 0.00 C ATOM 264 CG1 VAL A 21 -4.922 -6.664 2.678 1.00 0.00 C ATOM 265 CG2 VAL A 21 -4.144 -7.336 0.394 1.00 0.00 C ATOM 0 H VAL A 21 -3.832 -4.037 3.015 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.375 -4.826 0.208 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.912 -6.616 1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.873 -7.709 2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.700 -6.025 3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.923 -6.441 2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.106 -8.372 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.124 -7.130 -0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.374 -7.171 -0.359 1.00 0.00 H new ATOM 275 N ALA A 22 -5.718 -4.295 -0.410 1.00 0.00 N ATOM 276 CA ALA A 22 -7.070 -3.915 -0.800 1.00 0.00 C ATOM 277 C ALA A 22 -8.063 -5.032 -0.498 1.00 0.00 C ATOM 278 O ALA A 22 -7.723 -6.214 -0.562 1.00 0.00 O ATOM 279 CB ALA A 22 -7.111 -3.555 -2.277 1.00 0.00 C ATOM 0 H ALA A 22 -5.055 -4.347 -1.183 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.358 -3.041 -0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.127 -3.273 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.438 -2.719 -2.467 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.798 -4.414 -2.870 1.00 0.00 H new ATOM 285 N LEU A 23 -9.292 -4.651 -0.167 1.00 0.00 N ATOM 286 CA LEU A 23 -10.336 -5.621 0.146 1.00 0.00 C ATOM 287 C LEU A 23 -11.355 -5.708 -0.986 1.00 0.00 C ATOM 288 O LEU A 23 -11.879 -6.783 -1.281 1.00 0.00 O ATOM 289 CB LEU A 23 -11.037 -5.242 1.451 1.00 0.00 C ATOM 290 CG LEU A 23 -10.130 -5.029 2.663 1.00 0.00 C ATOM 291 CD1 LEU A 23 -10.899 -4.367 3.796 1.00 0.00 C ATOM 292 CD2 LEU A 23 -9.533 -6.351 3.122 1.00 0.00 C ATOM 0 H LEU A 23 -9.590 -3.677 -0.108 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.867 -6.598 0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.605 -4.327 1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.757 -6.024 1.694 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.315 -4.368 2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.237 -4.224 4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.277 -3.400 3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.735 -5.002 4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.890 -6.180 3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.335 -7.036 3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.946 -6.785 2.313 1.00 0.00 H new ATOM 304 N TYR A 24 -11.630 -4.572 -1.616 1.00 0.00 N ATOM 305 CA TYR A 24 -12.586 -4.520 -2.715 1.00 0.00 C ATOM 306 C TYR A 24 -12.050 -3.673 -3.865 1.00 0.00 C ATOM 307 O TYR A 24 -11.168 -2.835 -3.674 1.00 0.00 O ATOM 308 CB TYR A 24 -13.922 -3.954 -2.230 1.00 0.00 C ATOM 309 CG TYR A 24 -14.314 -4.427 -0.849 1.00 0.00 C ATOM 310 CD1 TYR A 24 -13.760 -3.851 0.288 1.00 0.00 C ATOM 311 CD2 TYR A 24 -15.239 -5.450 -0.680 1.00 0.00 C ATOM 312 CE1 TYR A 24 -14.115 -4.280 1.552 1.00 0.00 C ATOM 313 CE2 TYR A 24 -15.600 -5.885 0.581 1.00 0.00 C ATOM 314 CZ TYR A 24 -15.036 -5.297 1.693 1.00 0.00 C ATOM 315 OH TYR A 24 -15.392 -5.729 2.950 1.00 0.00 O ATOM 0 H TYR A 24 -11.204 -3.674 -1.384 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.739 -5.537 -3.077 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -13.867 -2.865 -2.230 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -14.704 -4.234 -2.936 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.039 -3.054 0.181 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -15.683 -5.913 -1.549 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -13.674 -3.822 2.425 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -16.320 -6.682 0.695 1.00 0.00 H new ATOM 0 HH TYR A 24 -16.051 -6.450 2.874 1.00 0.00 H new ATOM 325 N ASP A 25 -12.589 -3.897 -5.058 1.00 0.00 N ATOM 326 CA ASP A 25 -12.167 -3.154 -6.240 1.00 0.00 C ATOM 327 C ASP A 25 -12.578 -1.689 -6.136 1.00 0.00 C ATOM 328 O ASP A 25 -13.666 -1.371 -5.657 1.00 0.00 O ATOM 329 CB ASP A 25 -12.767 -3.777 -7.501 1.00 0.00 C ATOM 330 CG ASP A 25 -14.195 -3.330 -7.744 1.00 0.00 C ATOM 331 OD1 ASP A 25 -15.053 -3.584 -6.872 1.00 0.00 O ATOM 332 OD2 ASP A 25 -14.455 -2.727 -8.806 1.00 0.00 O ATOM 0 H ASP A 25 -13.319 -4.587 -5.233 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.080 -3.204 -6.302 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.154 -3.510 -8.362 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.739 -4.863 -7.415 1.00 0.00 H new ATOM 337 N TYR A 26 -11.699 -0.800 -6.587 1.00 0.00 N ATOM 338 CA TYR A 26 -11.969 0.632 -6.541 1.00 0.00 C ATOM 339 C TYR A 26 -11.645 1.290 -7.879 1.00 0.00 C ATOM 340 O TYR A 26 -10.798 0.808 -8.631 1.00 0.00 O ATOM 341 CB TYR A 26 -11.156 1.291 -5.426 1.00 0.00 C ATOM 342 CG TYR A 26 -11.760 2.579 -4.915 1.00 0.00 C ATOM 343 CD1 TYR A 26 -11.558 3.778 -5.586 1.00 0.00 C ATOM 344 CD2 TYR A 26 -12.534 2.596 -3.761 1.00 0.00 C ATOM 345 CE1 TYR A 26 -12.108 4.958 -5.122 1.00 0.00 C ATOM 346 CE2 TYR A 26 -13.089 3.770 -3.291 1.00 0.00 C ATOM 347 CZ TYR A 26 -12.873 4.948 -3.974 1.00 0.00 C ATOM 348 OH TYR A 26 -13.424 6.121 -3.510 1.00 0.00 O ATOM 0 H TYR A 26 -10.794 -1.046 -6.988 1.00 0.00 H new ATOM 0 HA TYR A 26 -13.031 0.769 -6.336 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.059 0.591 -4.596 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.149 1.492 -5.792 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.961 3.789 -6.486 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.704 1.675 -3.223 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.940 5.882 -5.655 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.689 3.765 -2.393 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.748 6.624 -3.009 1.00 0.00 H new ATOM 358 N GLN A 27 -12.325 2.395 -8.167 1.00 0.00 N ATOM 359 CA GLN A 27 -12.110 3.120 -9.414 1.00 0.00 C ATOM 360 C GLN A 27 -11.950 4.615 -9.154 1.00 0.00 C ATOM 361 O GLN A 27 -12.934 5.338 -9.007 1.00 0.00 O ATOM 362 CB GLN A 27 -13.275 2.880 -10.376 1.00 0.00 C ATOM 363 CG GLN A 27 -13.415 1.431 -10.812 1.00 0.00 C ATOM 364 CD GLN A 27 -12.293 0.986 -11.729 1.00 0.00 C ATOM 365 OE1 GLN A 27 -11.910 1.703 -12.654 1.00 0.00 O ATOM 366 NE2 GLN A 27 -11.757 -0.203 -11.477 1.00 0.00 N ATOM 0 H GLN A 27 -13.029 2.808 -7.555 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.191 2.748 -9.867 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.202 3.198 -9.898 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.141 3.505 -11.259 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.434 0.791 -9.930 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -14.369 1.300 -11.322 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.105 -0.765 -10.700 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.998 -0.554 -12.061 1.00 0.00 H new ATOM 375 N ALA A 28 -10.702 5.070 -9.098 1.00 0.00 N ATOM 376 CA ALA A 28 -10.413 6.478 -8.857 1.00 0.00 C ATOM 377 C ALA A 28 -11.450 7.374 -9.527 1.00 0.00 C ATOM 378 O ALA A 28 -11.518 7.452 -10.753 1.00 0.00 O ATOM 379 CB ALA A 28 -9.017 6.823 -9.354 1.00 0.00 C ATOM 0 H ALA A 28 -9.876 4.484 -9.216 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.459 6.653 -7.782 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.815 7.878 -9.168 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.282 6.214 -8.827 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.952 6.625 -10.424 1.00 0.00 H new ATOM 385 N ALA A 29 -12.257 8.047 -8.713 1.00 0.00 N ATOM 386 CA ALA A 29 -13.290 8.938 -9.227 1.00 0.00 C ATOM 387 C ALA A 29 -12.700 9.968 -10.184 1.00 0.00 C ATOM 388 O ALA A 29 -13.282 10.267 -11.226 1.00 0.00 O ATOM 389 CB ALA A 29 -14.007 9.632 -8.078 1.00 0.00 C ATOM 0 H ALA A 29 -12.215 7.992 -7.695 1.00 0.00 H new ATOM 0 HA ALA A 29 -14.011 8.337 -9.781 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.776 10.294 -8.476 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.470 8.885 -7.434 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.289 10.215 -7.500 1.00 0.00 H new ATOM 395 N GLY A 30 -11.540 10.509 -9.823 1.00 0.00 N ATOM 396 CA GLY A 30 -10.891 11.500 -10.661 1.00 0.00 C ATOM 397 C GLY A 30 -10.198 12.579 -9.852 1.00 0.00 C ATOM 398 O GLY A 30 -9.292 13.250 -10.347 1.00 0.00 O ATOM 0 H GLY A 30 -11.038 10.278 -8.965 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.161 11.007 -11.303 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.632 11.960 -11.315 1.00 0.00 H new ATOM 402 N ASP A 31 -10.624 12.746 -8.605 1.00 0.00 N ATOM 403 CA ASP A 31 -10.038 13.751 -7.726 1.00 0.00 C ATOM 404 C ASP A 31 -8.678 13.293 -7.206 1.00 0.00 C ATOM 405 O ASP A 31 -8.508 13.056 -6.010 1.00 0.00 O ATOM 406 CB ASP A 31 -10.975 14.042 -6.552 1.00 0.00 C ATOM 407 CG ASP A 31 -12.345 14.505 -7.006 1.00 0.00 C ATOM 408 OD1 ASP A 31 -13.096 13.678 -7.564 1.00 0.00 O ATOM 409 OD2 ASP A 31 -12.666 15.695 -6.803 1.00 0.00 O ATOM 0 H ASP A 31 -11.373 12.199 -8.180 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.897 14.665 -8.304 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.081 13.143 -5.944 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.529 14.806 -5.916 1.00 0.00 H new ATOM 414 N ASP A 32 -7.716 13.169 -8.113 1.00 0.00 N ATOM 415 CA ASP A 32 -6.371 12.739 -7.747 1.00 0.00 C ATOM 416 C ASP A 32 -6.408 11.398 -7.022 1.00 0.00 C ATOM 417 O ASP A 32 -5.519 11.084 -6.231 1.00 0.00 O ATOM 418 CB ASP A 32 -5.699 13.792 -6.864 1.00 0.00 C ATOM 419 CG ASP A 32 -4.956 14.837 -7.672 1.00 0.00 C ATOM 420 OD1 ASP A 32 -5.621 15.719 -8.255 1.00 0.00 O ATOM 421 OD2 ASP A 32 -3.710 14.774 -7.721 1.00 0.00 O ATOM 0 H ASP A 32 -7.842 13.360 -9.107 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.792 12.621 -8.663 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.454 14.282 -6.249 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.003 13.301 -6.184 1.00 0.00 H new ATOM 426 N GLU A 33 -7.444 10.611 -7.297 1.00 0.00 N ATOM 427 CA GLU A 33 -7.597 9.304 -6.669 1.00 0.00 C ATOM 428 C GLU A 33 -6.907 8.220 -7.492 1.00 0.00 C ATOM 429 O GLU A 33 -6.568 8.432 -8.657 1.00 0.00 O ATOM 430 CB GLU A 33 -9.080 8.965 -6.501 1.00 0.00 C ATOM 431 CG GLU A 33 -9.811 9.890 -5.542 1.00 0.00 C ATOM 432 CD GLU A 33 -11.315 9.852 -5.729 1.00 0.00 C ATOM 433 OE1 GLU A 33 -11.889 8.744 -5.692 1.00 0.00 O ATOM 434 OE2 GLU A 33 -11.918 10.930 -5.911 1.00 0.00 O ATOM 0 H GLU A 33 -8.189 10.856 -7.950 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.127 9.345 -5.687 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.566 9.008 -7.475 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.171 7.939 -6.144 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.569 9.610 -4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.456 10.911 -5.686 1.00 0.00 H new ATOM 441 N ILE A 34 -6.701 7.060 -6.878 1.00 0.00 N ATOM 442 CA ILE A 34 -6.051 5.943 -7.554 1.00 0.00 C ATOM 443 C ILE A 34 -6.983 4.740 -7.646 1.00 0.00 C ATOM 444 O ILE A 34 -7.882 4.573 -6.822 1.00 0.00 O ATOM 445 CB ILE A 34 -4.758 5.523 -6.831 1.00 0.00 C ATOM 446 CG1 ILE A 34 -5.056 5.167 -5.373 1.00 0.00 C ATOM 447 CG2 ILE A 34 -3.722 6.634 -6.909 1.00 0.00 C ATOM 448 CD1 ILE A 34 -3.941 4.398 -4.699 1.00 0.00 C ATOM 0 H ILE A 34 -6.974 6.869 -5.914 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.801 6.284 -8.559 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.353 4.640 -7.326 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.243 6.084 -4.814 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.971 4.576 -5.331 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.814 6.322 -6.393 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.492 6.844 -7.953 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.117 7.533 -6.436 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.221 4.180 -3.668 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.768 3.464 -5.234 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.029 4.995 -4.709 1.00 0.00 H new ATOM 460 N SER A 35 -6.761 3.902 -8.654 1.00 0.00 N ATOM 461 CA SER A 35 -7.582 2.714 -8.856 1.00 0.00 C ATOM 462 C SER A 35 -6.745 1.446 -8.722 1.00 0.00 C ATOM 463 O SER A 35 -5.700 1.308 -9.358 1.00 0.00 O ATOM 464 CB SER A 35 -8.248 2.756 -10.233 1.00 0.00 C ATOM 465 OG SER A 35 -7.337 2.382 -11.252 1.00 0.00 O ATOM 0 H SER A 35 -6.019 4.024 -9.343 1.00 0.00 H new ATOM 0 HA SER A 35 -8.354 2.702 -8.087 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.107 2.086 -10.245 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.624 3.760 -10.428 1.00 0.00 H new ATOM 0 HG SER A 35 -6.530 2.003 -10.846 1.00 0.00 H new ATOM 471 N PHE A 36 -7.212 0.522 -7.889 1.00 0.00 N ATOM 472 CA PHE A 36 -6.506 -0.735 -7.669 1.00 0.00 C ATOM 473 C PHE A 36 -7.490 -1.893 -7.525 1.00 0.00 C ATOM 474 O PHE A 36 -8.616 -1.711 -7.060 1.00 0.00 O ATOM 475 CB PHE A 36 -5.628 -0.640 -6.420 1.00 0.00 C ATOM 476 CG PHE A 36 -6.252 0.151 -5.307 1.00 0.00 C ATOM 477 CD1 PHE A 36 -7.413 -0.290 -4.692 1.00 0.00 C ATOM 478 CD2 PHE A 36 -5.678 1.336 -4.875 1.00 0.00 C ATOM 479 CE1 PHE A 36 -7.989 0.437 -3.668 1.00 0.00 C ATOM 480 CE2 PHE A 36 -6.250 2.067 -3.851 1.00 0.00 C ATOM 481 CZ PHE A 36 -7.407 1.616 -3.246 1.00 0.00 C ATOM 0 H PHE A 36 -8.076 0.620 -7.355 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.873 -0.924 -8.536 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.410 -1.646 -6.062 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.675 -0.184 -6.689 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.872 -1.212 -5.017 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.773 1.693 -5.344 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.894 0.083 -3.198 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.793 2.989 -3.524 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.855 2.184 -2.445 1.00 0.00 H new ATOM 491 N ASP A 37 -7.058 -3.083 -7.929 1.00 0.00 N ATOM 492 CA ASP A 37 -7.899 -4.271 -7.845 1.00 0.00 C ATOM 493 C ASP A 37 -7.962 -4.792 -6.413 1.00 0.00 C ATOM 494 O ASP A 37 -7.124 -4.468 -5.571 1.00 0.00 O ATOM 495 CB ASP A 37 -7.370 -5.363 -8.776 1.00 0.00 C ATOM 496 CG ASP A 37 -7.973 -5.282 -10.164 1.00 0.00 C ATOM 497 OD1 ASP A 37 -7.465 -4.492 -10.987 1.00 0.00 O ATOM 498 OD2 ASP A 37 -8.953 -6.010 -10.428 1.00 0.00 O ATOM 0 H ASP A 37 -6.130 -3.250 -8.318 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.907 -3.996 -8.157 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.286 -5.280 -8.849 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.587 -6.340 -8.345 1.00 0.00 H new ATOM 503 N PRO A 38 -8.979 -5.618 -6.128 1.00 0.00 N ATOM 504 CA PRO A 38 -9.176 -6.202 -4.797 1.00 0.00 C ATOM 505 C PRO A 38 -8.111 -7.237 -4.455 1.00 0.00 C ATOM 506 O PRO A 38 -7.644 -7.973 -5.325 1.00 0.00 O ATOM 507 CB PRO A 38 -10.552 -6.865 -4.901 1.00 0.00 C ATOM 508 CG PRO A 38 -10.725 -7.154 -6.352 1.00 0.00 C ATOM 509 CD PRO A 38 -10.015 -6.048 -7.082 1.00 0.00 C ATOM 0 HA PRO A 38 -9.107 -5.452 -4.009 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.597 -7.778 -4.307 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.338 -6.206 -4.532 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.303 -8.125 -6.609 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.781 -7.184 -6.621 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.579 -6.399 -8.017 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.693 -5.232 -7.333 1.00 0.00 H new ATOM 517 N ASP A 39 -7.731 -7.289 -3.183 1.00 0.00 N ATOM 518 CA ASP A 39 -6.721 -8.236 -2.725 1.00 0.00 C ATOM 519 C ASP A 39 -5.359 -7.915 -3.334 1.00 0.00 C ATOM 520 O ASP A 39 -4.560 -8.813 -3.599 1.00 0.00 O ATOM 521 CB ASP A 39 -7.130 -9.665 -3.085 1.00 0.00 C ATOM 522 CG ASP A 39 -8.501 -10.027 -2.549 1.00 0.00 C ATOM 523 OD1 ASP A 39 -9.507 -9.637 -3.178 1.00 0.00 O ATOM 524 OD2 ASP A 39 -8.569 -10.702 -1.500 1.00 0.00 O ATOM 0 H ASP A 39 -8.107 -6.687 -2.451 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.644 -8.151 -1.641 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.125 -9.779 -4.169 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.392 -10.362 -2.688 1.00 0.00 H new ATOM 529 N ASP A 40 -5.103 -6.631 -3.553 1.00 0.00 N ATOM 530 CA ASP A 40 -3.838 -6.191 -4.130 1.00 0.00 C ATOM 531 C ASP A 40 -2.864 -5.758 -3.039 1.00 0.00 C ATOM 532 O ASP A 40 -3.215 -5.719 -1.860 1.00 0.00 O ATOM 533 CB ASP A 40 -4.073 -5.038 -5.108 1.00 0.00 C ATOM 534 CG ASP A 40 -4.381 -5.523 -6.511 1.00 0.00 C ATOM 535 OD1 ASP A 40 -5.169 -6.482 -6.648 1.00 0.00 O ATOM 536 OD2 ASP A 40 -3.836 -4.942 -7.472 1.00 0.00 O ATOM 0 H ASP A 40 -5.755 -5.876 -3.340 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.401 -7.032 -4.669 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.899 -4.424 -4.749 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.189 -4.401 -5.133 1.00 0.00 H new ATOM 541 N ILE A 41 -1.639 -5.435 -3.441 1.00 0.00 N ATOM 542 CA ILE A 41 -0.615 -5.006 -2.498 1.00 0.00 C ATOM 543 C ILE A 41 -0.194 -3.564 -2.761 1.00 0.00 C ATOM 544 O ILE A 41 0.085 -3.186 -3.899 1.00 0.00 O ATOM 545 CB ILE A 41 0.629 -5.912 -2.566 1.00 0.00 C ATOM 546 CG1 ILE A 41 0.244 -7.365 -2.282 1.00 0.00 C ATOM 547 CG2 ILE A 41 1.686 -5.436 -1.581 1.00 0.00 C ATOM 548 CD1 ILE A 41 -0.428 -7.562 -0.942 1.00 0.00 C ATOM 0 H ILE A 41 -1.332 -5.463 -4.413 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.053 -5.078 -1.503 1.00 0.00 H new ATOM 0 HB ILE A 41 1.047 -5.856 -3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.424 -7.716 -3.069 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.140 -7.984 -2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.559 -6.086 -1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.977 -4.414 -1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.280 -5.466 -0.570 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.673 -8.616 -0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.246 -7.243 -0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.342 -6.970 -0.903 1.00 0.00 H new ATOM 560 N ILE A 42 -0.150 -2.763 -1.701 1.00 0.00 N ATOM 561 CA ILE A 42 0.239 -1.363 -1.818 1.00 0.00 C ATOM 562 C ILE A 42 1.397 -1.035 -0.882 1.00 0.00 C ATOM 563 O ILE A 42 1.483 -1.562 0.228 1.00 0.00 O ATOM 564 CB ILE A 42 -0.940 -0.423 -1.506 1.00 0.00 C ATOM 565 CG1 ILE A 42 -2.007 -0.528 -2.598 1.00 0.00 C ATOM 566 CG2 ILE A 42 -0.452 1.011 -1.370 1.00 0.00 C ATOM 567 CD1 ILE A 42 -3.034 -1.607 -2.338 1.00 0.00 C ATOM 0 H ILE A 42 -0.379 -3.060 -0.752 1.00 0.00 H new ATOM 0 HA ILE A 42 0.553 -1.208 -2.850 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.386 -0.725 -0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.516 0.432 -2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.520 -0.724 -3.553 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.297 1.663 -1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.275 1.073 -0.560 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.016 1.326 -2.303 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.758 -1.624 -3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.537 -2.575 -2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.548 -1.401 -1.399 1.00 0.00 H new ATOM 579 N THR A 43 2.288 -0.159 -1.336 1.00 0.00 N ATOM 580 CA THR A 43 3.442 0.241 -0.540 1.00 0.00 C ATOM 581 C THR A 43 3.606 1.756 -0.533 1.00 0.00 C ATOM 582 O THR A 43 3.051 2.454 -1.381 1.00 0.00 O ATOM 583 CB THR A 43 4.738 -0.403 -1.067 1.00 0.00 C ATOM 584 OG1 THR A 43 5.095 0.175 -2.328 1.00 0.00 O ATOM 585 CG2 THR A 43 4.571 -1.907 -1.223 1.00 0.00 C ATOM 0 H THR A 43 2.232 0.287 -2.251 1.00 0.00 H new ATOM 0 HA THR A 43 3.261 -0.106 0.477 1.00 0.00 H new ATOM 0 HB THR A 43 5.531 -0.214 -0.343 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.921 -0.239 -2.655 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.499 -2.339 -1.596 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.328 -2.348 -0.256 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.766 -2.112 -1.928 1.00 0.00 H new ATOM 593 N ASN A 44 4.374 2.259 0.428 1.00 0.00 N ATOM 594 CA ASN A 44 4.612 3.693 0.545 1.00 0.00 C ATOM 595 C ASN A 44 3.324 4.431 0.895 1.00 0.00 C ATOM 596 O ASN A 44 3.029 5.486 0.333 1.00 0.00 O ATOM 597 CB ASN A 44 5.189 4.243 -0.761 1.00 0.00 C ATOM 598 CG ASN A 44 6.341 3.406 -1.283 1.00 0.00 C ATOM 599 OD1 ASN A 44 6.422 3.116 -2.476 1.00 0.00 O ATOM 600 ND2 ASN A 44 7.239 3.012 -0.387 1.00 0.00 N ATOM 0 H ASN A 44 4.842 1.695 1.137 1.00 0.00 H new ATOM 0 HA ASN A 44 5.331 3.853 1.348 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.402 4.283 -1.514 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.530 5.266 -0.602 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.036 2.446 -0.678 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.132 3.276 0.592 1.00 0.00 H new ATOM 607 N ILE A 45 2.562 3.870 1.828 1.00 0.00 N ATOM 608 CA ILE A 45 1.307 4.476 2.254 1.00 0.00 C ATOM 609 C ILE A 45 1.555 5.643 3.204 1.00 0.00 C ATOM 610 O ILE A 45 2.187 5.483 4.247 1.00 0.00 O ATOM 611 CB ILE A 45 0.394 3.449 2.950 1.00 0.00 C ATOM 612 CG1 ILE A 45 -0.119 2.422 1.937 1.00 0.00 C ATOM 613 CG2 ILE A 45 -0.769 4.152 3.634 1.00 0.00 C ATOM 614 CD1 ILE A 45 -0.816 1.241 2.575 1.00 0.00 C ATOM 0 H ILE A 45 2.792 2.997 2.303 1.00 0.00 H new ATOM 0 HA ILE A 45 0.811 4.841 1.354 1.00 0.00 H new ATOM 0 HB ILE A 45 0.974 2.925 3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.809 2.914 1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.719 2.061 1.342 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.405 3.413 4.121 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.385 4.849 4.379 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.351 4.699 2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.153 0.554 1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.123 0.725 3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.675 1.591 3.147 1.00 0.00 H new ATOM 626 N GLU A 46 1.050 6.816 2.835 1.00 0.00 N ATOM 627 CA GLU A 46 1.216 8.011 3.655 1.00 0.00 C ATOM 628 C GLU A 46 -0.075 8.347 4.395 1.00 0.00 C ATOM 629 O GLU A 46 -1.155 8.363 3.805 1.00 0.00 O ATOM 630 CB GLU A 46 1.643 9.197 2.787 1.00 0.00 C ATOM 631 CG GLU A 46 2.523 10.199 3.516 1.00 0.00 C ATOM 632 CD GLU A 46 2.790 11.445 2.696 1.00 0.00 C ATOM 633 OE1 GLU A 46 1.831 11.985 2.105 1.00 0.00 O ATOM 634 OE2 GLU A 46 3.959 11.882 2.645 1.00 0.00 O ATOM 0 H GLU A 46 0.523 6.965 1.974 1.00 0.00 H new ATOM 0 HA GLU A 46 1.994 7.810 4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.178 8.823 1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.752 9.707 2.420 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.045 10.481 4.454 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.471 9.726 3.771 1.00 0.00 H new ATOM 641 N MET A 47 0.045 8.613 5.691 1.00 0.00 N ATOM 642 CA MET A 47 -1.112 8.949 6.512 1.00 0.00 C ATOM 643 C MET A 47 -1.336 10.458 6.545 1.00 0.00 C ATOM 644 O MET A 47 -0.649 11.182 7.265 1.00 0.00 O ATOM 645 CB MET A 47 -0.926 8.419 7.935 1.00 0.00 C ATOM 646 CG MET A 47 -0.732 6.913 8.002 1.00 0.00 C ATOM 647 SD MET A 47 -1.058 6.243 9.644 1.00 0.00 S ATOM 648 CE MET A 47 -1.480 4.549 9.240 1.00 0.00 C ATOM 0 H MET A 47 0.932 8.602 6.195 1.00 0.00 H new ATOM 0 HA MET A 47 -1.989 8.479 6.068 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.063 8.909 8.386 1.00 0.00 H new ATOM 0 HB3 MET A 47 -1.796 8.692 8.532 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.393 6.433 7.280 1.00 0.00 H new ATOM 0 HG3 MET A 47 0.290 6.669 7.710 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.396 3.930 10.133 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.503 4.508 8.865 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.798 4.177 8.475 1.00 0.00 H new ATOM 658 N ILE A 48 -2.302 10.925 5.760 1.00 0.00 N ATOM 659 CA ILE A 48 -2.616 12.347 5.700 1.00 0.00 C ATOM 660 C ILE A 48 -3.924 12.652 6.421 1.00 0.00 C ATOM 661 O ILE A 48 -3.948 13.404 7.396 1.00 0.00 O ATOM 662 CB ILE A 48 -2.718 12.840 4.245 1.00 0.00 C ATOM 663 CG1 ILE A 48 -1.394 12.612 3.512 1.00 0.00 C ATOM 664 CG2 ILE A 48 -3.101 14.312 4.210 1.00 0.00 C ATOM 665 CD1 ILE A 48 -1.470 12.889 2.027 1.00 0.00 C ATOM 0 H ILE A 48 -2.880 10.339 5.157 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.799 12.872 6.196 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.496 12.269 3.738 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.629 13.250 3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.076 11.581 3.665 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.169 14.646 3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.065 14.449 4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.343 14.898 4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.496 12.707 1.573 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.211 12.232 1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.757 13.928 1.865 1.00 0.00 H new ATOM 677 N ASP A 49 -5.012 12.062 5.936 1.00 0.00 N ATOM 678 CA ASP A 49 -6.325 12.268 6.536 1.00 0.00 C ATOM 679 C ASP A 49 -6.759 11.039 7.329 1.00 0.00 C ATOM 680 O ASP A 49 -6.167 9.967 7.204 1.00 0.00 O ATOM 681 CB ASP A 49 -7.359 12.583 5.455 1.00 0.00 C ATOM 682 CG ASP A 49 -7.449 14.067 5.154 1.00 0.00 C ATOM 683 OD1 ASP A 49 -8.119 14.788 5.923 1.00 0.00 O ATOM 684 OD2 ASP A 49 -6.848 14.506 4.152 1.00 0.00 O ATOM 0 H ASP A 49 -5.010 11.438 5.129 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.256 13.114 7.220 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.102 12.045 4.543 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.336 12.220 5.774 1.00 0.00 H new ATOM 689 N ASP A 50 -7.794 11.203 8.144 1.00 0.00 N ATOM 690 CA ASP A 50 -8.308 10.107 8.958 1.00 0.00 C ATOM 691 C ASP A 50 -9.278 9.243 8.157 1.00 0.00 C ATOM 692 O ASP A 50 -10.183 8.626 8.717 1.00 0.00 O ATOM 693 CB ASP A 50 -9.003 10.652 10.207 1.00 0.00 C ATOM 694 CG ASP A 50 -8.943 9.685 11.372 1.00 0.00 C ATOM 695 OD1 ASP A 50 -8.000 8.867 11.416 1.00 0.00 O ATOM 696 OD2 ASP A 50 -9.840 9.744 12.240 1.00 0.00 O ATOM 0 H ASP A 50 -8.294 12.084 8.259 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.464 9.488 9.263 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.537 11.594 10.496 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.045 10.870 9.973 1.00 0.00 H new ATOM 701 N GLY A 51 -9.082 9.206 6.843 1.00 0.00 N ATOM 702 CA GLY A 51 -9.947 8.416 5.986 1.00 0.00 C ATOM 703 C GLY A 51 -9.310 8.106 4.646 1.00 0.00 C ATOM 704 O GLY A 51 -9.555 7.048 4.065 1.00 0.00 O ATOM 0 H GLY A 51 -8.340 9.709 6.356 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.198 7.483 6.490 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.882 8.953 5.825 1.00 0.00 H new ATOM 708 N TRP A 52 -8.493 9.029 4.154 1.00 0.00 N ATOM 709 CA TRP A 52 -7.820 8.849 2.872 1.00 0.00 C ATOM 710 C TRP A 52 -6.306 8.826 3.051 1.00 0.00 C ATOM 711 O TRP A 52 -5.765 9.501 3.927 1.00 0.00 O ATOM 712 CB TRP A 52 -8.215 9.965 1.904 1.00 0.00 C ATOM 713 CG TRP A 52 -9.679 9.983 1.585 1.00 0.00 C ATOM 714 CD1 TRP A 52 -10.687 10.440 2.386 1.00 0.00 C ATOM 715 CD2 TRP A 52 -10.300 9.522 0.380 1.00 0.00 C ATOM 716 NE1 TRP A 52 -11.896 10.292 1.751 1.00 0.00 N ATOM 717 CE2 TRP A 52 -11.686 9.732 0.518 1.00 0.00 C ATOM 718 CE3 TRP A 52 -9.819 8.956 -0.804 1.00 0.00 C ATOM 719 CZ2 TRP A 52 -12.593 9.392 -0.482 1.00 0.00 C ATOM 720 CZ3 TRP A 52 -10.721 8.619 -1.795 1.00 0.00 C ATOM 721 CH2 TRP A 52 -12.095 8.839 -1.630 1.00 0.00 C ATOM 0 H TRP A 52 -8.280 9.910 4.622 1.00 0.00 H new ATOM 0 HA TRP A 52 -8.133 7.891 2.457 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -7.932 10.926 2.334 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.650 9.851 0.979 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -10.553 10.856 3.373 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -12.803 10.556 2.135 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.762 8.785 -0.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -13.653 9.559 -0.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.361 8.178 -2.713 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -12.774 8.567 -2.424 1.00 0.00 H new ATOM 732 N TRP A 53 -5.628 8.048 2.216 1.00 0.00 N ATOM 733 CA TRP A 53 -4.175 7.939 2.282 1.00 0.00 C ATOM 734 C TRP A 53 -3.559 8.010 0.889 1.00 0.00 C ATOM 735 O TRP A 53 -4.246 7.814 -0.114 1.00 0.00 O ATOM 736 CB TRP A 53 -3.772 6.631 2.965 1.00 0.00 C ATOM 737 CG TRP A 53 -4.193 6.557 4.402 1.00 0.00 C ATOM 738 CD1 TRP A 53 -4.297 7.597 5.280 1.00 0.00 C ATOM 739 CD2 TRP A 53 -4.563 5.379 5.126 1.00 0.00 C ATOM 740 NE1 TRP A 53 -4.710 7.137 6.507 1.00 0.00 N ATOM 741 CE2 TRP A 53 -4.882 5.780 6.438 1.00 0.00 C ATOM 742 CE3 TRP A 53 -4.660 4.025 4.794 1.00 0.00 C ATOM 743 CZ2 TRP A 53 -5.287 4.874 7.415 1.00 0.00 C ATOM 744 CZ3 TRP A 53 -5.062 3.128 5.764 1.00 0.00 C ATOM 745 CH2 TRP A 53 -5.373 3.555 7.062 1.00 0.00 C ATOM 0 H TRP A 53 -6.061 7.483 1.485 1.00 0.00 H new ATOM 0 HA TRP A 53 -3.799 8.778 2.868 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.212 5.795 2.421 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.690 6.516 2.904 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.086 8.630 5.045 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -4.864 7.713 7.335 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.425 3.686 3.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.525 5.201 8.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.138 2.079 5.518 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.687 2.829 7.798 1.00 0.00 H new ATOM 756 N ARG A 54 -2.261 8.292 0.834 1.00 0.00 N ATOM 757 CA ARG A 54 -1.554 8.390 -0.437 1.00 0.00 C ATOM 758 C ARG A 54 -0.434 7.357 -0.517 1.00 0.00 C ATOM 759 O ARG A 54 0.511 7.388 0.270 1.00 0.00 O ATOM 760 CB ARG A 54 -0.980 9.796 -0.619 1.00 0.00 C ATOM 761 CG ARG A 54 -1.957 10.777 -1.246 1.00 0.00 C ATOM 762 CD ARG A 54 -1.255 12.044 -1.707 1.00 0.00 C ATOM 763 NE ARG A 54 -2.203 13.084 -2.099 1.00 0.00 N ATOM 764 CZ ARG A 54 -1.851 14.201 -2.725 1.00 0.00 C ATOM 765 NH1 ARG A 54 -0.580 14.423 -3.029 1.00 0.00 N ATOM 766 NH2 ARG A 54 -2.772 15.100 -3.049 1.00 0.00 N ATOM 0 H ARG A 54 -1.678 8.457 1.655 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.267 8.190 -1.237 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.666 10.179 0.352 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.088 9.737 -1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.454 10.306 -2.094 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.733 11.032 -0.524 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.618 12.418 -0.905 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.603 11.811 -2.549 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.189 12.945 -1.880 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.131 13.735 -2.782 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.313 15.282 -3.510 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.751 14.933 -2.817 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.501 15.958 -3.530 1.00 0.00 H new ATOM 780 N GLY A 55 -0.548 6.441 -1.474 1.00 0.00 N ATOM 781 CA GLY A 55 0.462 5.411 -1.639 1.00 0.00 C ATOM 782 C GLY A 55 0.715 5.076 -3.095 1.00 0.00 C ATOM 783 O GLY A 55 -0.068 5.444 -3.971 1.00 0.00 O ATOM 0 H GLY A 55 -1.321 6.394 -2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.393 5.742 -1.178 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.148 4.510 -1.111 1.00 0.00 H new ATOM 787 N VAL A 56 1.815 4.376 -3.357 1.00 0.00 N ATOM 788 CA VAL A 56 2.171 3.991 -4.718 1.00 0.00 C ATOM 789 C VAL A 56 1.649 2.598 -5.049 1.00 0.00 C ATOM 790 O VAL A 56 2.199 1.594 -4.597 1.00 0.00 O ATOM 791 CB VAL A 56 3.696 4.019 -4.928 1.00 0.00 C ATOM 792 CG1 VAL A 56 4.048 3.587 -6.343 1.00 0.00 C ATOM 793 CG2 VAL A 56 4.249 5.405 -4.632 1.00 0.00 C ATOM 0 H VAL A 56 2.475 4.064 -2.644 1.00 0.00 H new ATOM 0 HA VAL A 56 1.707 4.718 -5.385 1.00 0.00 H new ATOM 0 HB VAL A 56 4.154 3.314 -4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.130 3.613 -6.473 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.686 2.573 -6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.580 4.265 -7.057 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.328 5.407 -4.786 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.786 6.132 -5.300 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.029 5.671 -3.598 1.00 0.00 H new ATOM 803 N CYS A 57 0.584 2.545 -5.842 1.00 0.00 N ATOM 804 CA CYS A 57 -0.014 1.274 -6.235 1.00 0.00 C ATOM 805 C CYS A 57 0.094 1.065 -7.742 1.00 0.00 C ATOM 806 O CYS A 57 -0.109 1.993 -8.525 1.00 0.00 O ATOM 807 CB CYS A 57 -1.480 1.221 -5.804 1.00 0.00 C ATOM 808 SG CYS A 57 -2.627 1.949 -6.998 1.00 0.00 S ATOM 0 H CYS A 57 0.117 3.367 -6.225 1.00 0.00 H new ATOM 0 HA CYS A 57 0.533 0.474 -5.736 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.760 0.181 -5.634 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.587 1.740 -4.851 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.976 2.300 -8.067 1.00 0.00 H new ATOM 814 N LYS A 58 0.417 -0.160 -8.143 1.00 0.00 N ATOM 815 CA LYS A 58 0.553 -0.493 -9.556 1.00 0.00 C ATOM 816 C LYS A 58 1.245 0.635 -10.316 1.00 0.00 C ATOM 817 O LYS A 58 1.065 0.784 -11.524 1.00 0.00 O ATOM 818 CB LYS A 58 -0.821 -0.768 -10.171 1.00 0.00 C ATOM 819 CG LYS A 58 -1.472 -2.041 -9.659 1.00 0.00 C ATOM 820 CD LYS A 58 -1.120 -3.236 -10.528 1.00 0.00 C ATOM 821 CE LYS A 58 -2.138 -4.356 -10.377 1.00 0.00 C ATOM 822 NZ LYS A 58 -1.531 -5.694 -10.617 1.00 0.00 N ATOM 0 H LYS A 58 0.590 -0.940 -7.508 1.00 0.00 H new ATOM 0 HA LYS A 58 1.166 -1.391 -9.635 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.479 0.076 -9.962 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.719 -0.832 -11.254 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.151 -2.228 -8.634 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.554 -1.913 -9.636 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.071 -2.926 -11.572 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.130 -3.604 -10.258 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.565 -4.326 -9.375 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.958 -4.198 -11.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.257 -6.430 -10.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.146 -5.732 -11.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.765 -5.856 -9.932 1.00 0.00 H new ATOM 836 N GLY A 59 2.038 1.426 -9.600 1.00 0.00 N ATOM 837 CA GLY A 59 2.746 2.528 -10.224 1.00 0.00 C ATOM 838 C GLY A 59 1.911 3.791 -10.287 1.00 0.00 C ATOM 839 O GLY A 59 2.005 4.559 -11.246 1.00 0.00 O ATOM 0 H GLY A 59 2.203 1.323 -8.599 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.662 2.729 -9.668 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.042 2.241 -11.233 1.00 0.00 H new ATOM 843 N ARG A 60 1.090 4.008 -9.265 1.00 0.00 N ATOM 844 CA ARG A 60 0.232 5.186 -9.210 1.00 0.00 C ATOM 845 C ARG A 60 0.150 5.732 -7.788 1.00 0.00 C ATOM 846 O ARG A 60 -0.159 5.000 -6.847 1.00 0.00 O ATOM 847 CB ARG A 60 -1.170 4.846 -9.719 1.00 0.00 C ATOM 848 CG ARG A 60 -1.348 5.075 -11.211 1.00 0.00 C ATOM 849 CD ARG A 60 -1.873 6.472 -11.502 1.00 0.00 C ATOM 850 NE ARG A 60 -2.044 6.706 -12.933 1.00 0.00 N ATOM 851 CZ ARG A 60 -3.057 6.219 -13.642 1.00 0.00 C ATOM 852 NH1 ARG A 60 -3.985 5.477 -13.054 1.00 0.00 N ATOM 853 NH2 ARG A 60 -3.143 6.476 -14.941 1.00 0.00 N ATOM 0 H ARG A 60 1.001 3.384 -8.463 1.00 0.00 H new ATOM 0 HA ARG A 60 0.668 5.953 -9.851 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.387 3.802 -9.492 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.900 5.448 -9.178 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.394 4.931 -11.719 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.039 4.334 -11.614 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.828 6.613 -10.995 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.183 7.211 -11.094 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.348 7.275 -13.415 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.922 5.279 -12.055 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.762 5.104 -13.600 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.431 7.048 -15.396 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.921 6.102 -15.485 1.00 0.00 H new ATOM 867 N TYR A 61 0.428 7.023 -7.639 1.00 0.00 N ATOM 868 CA TYR A 61 0.389 7.667 -6.331 1.00 0.00 C ATOM 869 C TYR A 61 -0.735 8.697 -6.265 1.00 0.00 C ATOM 870 O TYR A 61 -0.669 9.746 -6.903 1.00 0.00 O ATOM 871 CB TYR A 61 1.729 8.338 -6.030 1.00 0.00 C ATOM 872 CG TYR A 61 1.714 9.187 -4.778 1.00 0.00 C ATOM 873 CD1 TYR A 61 1.938 8.622 -3.529 1.00 0.00 C ATOM 874 CD2 TYR A 61 1.475 10.554 -4.846 1.00 0.00 C ATOM 875 CE1 TYR A 61 1.924 9.394 -2.383 1.00 0.00 C ATOM 876 CE2 TYR A 61 1.460 11.334 -3.705 1.00 0.00 C ATOM 877 CZ TYR A 61 1.685 10.749 -2.476 1.00 0.00 C ATOM 878 OH TYR A 61 1.671 11.521 -1.337 1.00 0.00 O ATOM 0 H TYR A 61 0.683 7.644 -8.407 1.00 0.00 H new ATOM 0 HA TYR A 61 0.199 6.899 -5.581 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.496 7.570 -5.929 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.012 8.961 -6.878 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.126 7.561 -3.452 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.298 11.015 -5.807 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.099 8.939 -1.420 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.273 12.395 -3.775 1.00 0.00 H new ATOM 0 HH TYR A 61 1.490 12.454 -1.576 1.00 0.00 H new ATOM 888 N GLY A 62 -1.767 8.388 -5.486 1.00 0.00 N ATOM 889 CA GLY A 62 -2.891 9.296 -5.349 1.00 0.00 C ATOM 890 C GLY A 62 -3.680 9.054 -4.078 1.00 0.00 C ATOM 891 O GLY A 62 -3.285 8.246 -3.237 1.00 0.00 O ATOM 0 H GLY A 62 -1.845 7.525 -4.947 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.527 10.323 -5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.551 9.185 -6.209 1.00 0.00 H new ATOM 895 N LEU A 63 -4.798 9.757 -3.935 1.00 0.00 N ATOM 896 CA LEU A 63 -5.645 9.616 -2.755 1.00 0.00 C ATOM 897 C LEU A 63 -6.517 8.369 -2.856 1.00 0.00 C ATOM 898 O LEU A 63 -7.008 8.028 -3.933 1.00 0.00 O ATOM 899 CB LEU A 63 -6.524 10.856 -2.583 1.00 0.00 C ATOM 900 CG LEU A 63 -5.902 12.019 -1.809 1.00 0.00 C ATOM 901 CD1 LEU A 63 -6.464 13.345 -2.296 1.00 0.00 C ATOM 902 CD2 LEU A 63 -6.140 11.852 -0.315 1.00 0.00 C ATOM 0 H LEU A 63 -5.139 10.430 -4.621 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.998 9.514 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.808 11.215 -3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.442 10.558 -2.076 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.827 12.017 -1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.010 14.161 -1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.242 13.467 -3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.544 13.359 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.691 12.688 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.212 11.828 -0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.688 10.920 0.023 1.00 0.00 H new ATOM 914 N PHE A 64 -6.709 7.694 -1.728 1.00 0.00 N ATOM 915 CA PHE A 64 -7.524 6.486 -1.689 1.00 0.00 C ATOM 916 C PHE A 64 -8.084 6.252 -0.289 1.00 0.00 C ATOM 917 O PHE A 64 -7.444 6.548 0.720 1.00 0.00 O ATOM 918 CB PHE A 64 -6.699 5.274 -2.130 1.00 0.00 C ATOM 919 CG PHE A 64 -5.644 4.875 -1.138 1.00 0.00 C ATOM 920 CD1 PHE A 64 -5.987 4.211 0.029 1.00 0.00 C ATOM 921 CD2 PHE A 64 -4.309 5.163 -1.373 1.00 0.00 C ATOM 922 CE1 PHE A 64 -5.017 3.844 0.943 1.00 0.00 C ATOM 923 CE2 PHE A 64 -3.336 4.798 -0.463 1.00 0.00 C ATOM 924 CZ PHE A 64 -3.690 4.136 0.696 1.00 0.00 C ATOM 0 H PHE A 64 -6.311 7.963 -0.828 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.359 6.619 -2.377 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.368 4.430 -2.296 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.223 5.496 -3.085 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.023 3.978 0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.026 5.679 -2.279 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.297 3.329 1.850 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.299 5.030 -0.658 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.931 3.847 1.408 1.00 0.00 H new ATOM 934 N PRO A 65 -9.308 5.708 -0.225 1.00 0.00 N ATOM 935 CA PRO A 65 -9.982 5.422 1.045 1.00 0.00 C ATOM 936 C PRO A 65 -9.326 4.274 1.804 1.00 0.00 C ATOM 937 O PRO A 65 -9.134 3.187 1.260 1.00 0.00 O ATOM 938 CB PRO A 65 -11.400 5.037 0.615 1.00 0.00 C ATOM 939 CG PRO A 65 -11.250 4.533 -0.779 1.00 0.00 C ATOM 940 CD PRO A 65 -10.129 5.329 -1.388 1.00 0.00 C ATOM 0 HA PRO A 65 -9.944 6.272 1.727 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.818 4.272 1.270 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.072 5.894 0.656 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.021 3.467 -0.786 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.173 4.664 -1.343 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.560 4.738 -2.106 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.501 6.205 -1.920 1.00 0.00 H new ATOM 948 N ALA A 66 -8.984 4.523 3.064 1.00 0.00 N ATOM 949 CA ALA A 66 -8.351 3.509 3.898 1.00 0.00 C ATOM 950 C ALA A 66 -9.339 2.407 4.268 1.00 0.00 C ATOM 951 O ALA A 66 -8.975 1.426 4.914 1.00 0.00 O ATOM 952 CB ALA A 66 -7.772 4.145 5.154 1.00 0.00 C ATOM 0 H ALA A 66 -9.135 5.418 3.529 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.541 3.057 3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.302 3.376 5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.028 4.891 4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.571 4.624 5.721 1.00 0.00 H new ATOM 958 N ASN A 67 -10.590 2.577 3.853 1.00 0.00 N ATOM 959 CA ASN A 67 -11.631 1.597 4.142 1.00 0.00 C ATOM 960 C ASN A 67 -11.591 0.449 3.139 1.00 0.00 C ATOM 961 O ASN A 67 -11.736 -0.717 3.507 1.00 0.00 O ATOM 962 CB ASN A 67 -13.008 2.263 4.118 1.00 0.00 C ATOM 963 CG ASN A 67 -13.036 3.564 4.897 1.00 0.00 C ATOM 964 OD1 ASN A 67 -12.498 3.650 6.002 1.00 0.00 O ATOM 965 ND2 ASN A 67 -13.664 4.584 4.324 1.00 0.00 N ATOM 0 H ASN A 67 -10.908 3.384 3.316 1.00 0.00 H new ATOM 0 HA ASN A 67 -11.448 1.192 5.137 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.297 2.455 3.085 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.747 1.578 4.534 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.715 5.484 4.801 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.095 4.467 3.407 1.00 0.00 H new ATOM 972 N TYR A 68 -11.391 0.787 1.870 1.00 0.00 N ATOM 973 CA TYR A 68 -11.334 -0.215 0.812 1.00 0.00 C ATOM 974 C TYR A 68 -10.050 -1.035 0.908 1.00 0.00 C ATOM 975 O TYR A 68 -9.813 -1.935 0.102 1.00 0.00 O ATOM 976 CB TYR A 68 -11.423 0.456 -0.560 1.00 0.00 C ATOM 977 CG TYR A 68 -12.839 0.752 -0.998 1.00 0.00 C ATOM 978 CD1 TYR A 68 -13.504 1.885 -0.547 1.00 0.00 C ATOM 979 CD2 TYR A 68 -13.512 -0.102 -1.864 1.00 0.00 C ATOM 980 CE1 TYR A 68 -14.799 2.159 -0.944 1.00 0.00 C ATOM 981 CE2 TYR A 68 -14.806 0.165 -2.267 1.00 0.00 C ATOM 982 CZ TYR A 68 -15.445 1.297 -1.805 1.00 0.00 C ATOM 983 OH TYR A 68 -16.734 1.566 -2.203 1.00 0.00 O ATOM 0 H TYR A 68 -11.266 1.747 1.549 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.183 -0.887 0.936 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.856 1.387 -0.537 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.949 -0.187 -1.301 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -13.000 2.564 0.126 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -13.015 -0.989 -2.228 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -15.302 3.043 -0.582 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -15.315 -0.509 -2.940 1.00 0.00 H new ATOM 0 HH TYR A 68 -17.043 0.861 -2.810 1.00 0.00 H new ATOM 993 N VAL A 69 -9.225 -0.717 1.900 1.00 0.00 N ATOM 994 CA VAL A 69 -7.967 -1.423 2.104 1.00 0.00 C ATOM 995 C VAL A 69 -7.745 -1.736 3.580 1.00 0.00 C ATOM 996 O VAL A 69 -8.390 -1.155 4.451 1.00 0.00 O ATOM 997 CB VAL A 69 -6.772 -0.605 1.579 1.00 0.00 C ATOM 998 CG1 VAL A 69 -7.035 -0.127 0.159 1.00 0.00 C ATOM 999 CG2 VAL A 69 -6.485 0.570 2.502 1.00 0.00 C ATOM 0 H VAL A 69 -9.406 0.026 2.575 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.034 -2.356 1.544 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.892 -1.248 1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.180 0.449 -0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.188 -0.988 -0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.926 0.501 0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.638 1.137 2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.362 1.216 2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.250 0.200 3.500 1.00 0.00 H new ATOM 1009 N GLU A 70 -6.828 -2.659 3.852 1.00 0.00 N ATOM 1010 CA GLU A 70 -6.521 -3.050 5.223 1.00 0.00 C ATOM 1011 C GLU A 70 -5.022 -2.956 5.494 1.00 0.00 C ATOM 1012 O GLU A 70 -4.205 -3.393 4.682 1.00 0.00 O ATOM 1013 CB GLU A 70 -7.011 -4.474 5.493 1.00 0.00 C ATOM 1014 CG GLU A 70 -6.764 -4.943 6.917 1.00 0.00 C ATOM 1015 CD GLU A 70 -7.368 -4.014 7.951 1.00 0.00 C ATOM 1016 OE1 GLU A 70 -8.416 -3.401 7.657 1.00 0.00 O ATOM 1017 OE2 GLU A 70 -6.794 -3.898 9.054 1.00 0.00 O ATOM 0 H GLU A 70 -6.285 -3.150 3.142 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.037 -2.363 5.893 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.079 -4.528 5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.515 -5.157 4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.181 -5.942 7.044 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.690 -5.022 7.088 1.00 0.00 H new ATOM 1024 N LEU A 71 -4.669 -2.382 6.638 1.00 0.00 N ATOM 1025 CA LEU A 71 -3.268 -2.230 7.017 1.00 0.00 C ATOM 1026 C LEU A 71 -2.647 -3.580 7.359 1.00 0.00 C ATOM 1027 O LEU A 71 -3.191 -4.340 8.161 1.00 0.00 O ATOM 1028 CB LEU A 71 -3.143 -1.281 8.210 1.00 0.00 C ATOM 1029 CG LEU A 71 -3.366 0.202 7.915 1.00 0.00 C ATOM 1030 CD1 LEU A 71 -3.730 0.951 9.187 1.00 0.00 C ATOM 1031 CD2 LEU A 71 -2.129 0.811 7.271 1.00 0.00 C ATOM 0 H LEU A 71 -5.333 -2.014 7.320 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.730 -1.809 6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.859 -1.591 8.971 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.149 -1.400 8.640 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.197 0.291 7.215 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.885 2.005 8.957 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.645 0.533 9.606 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.921 0.853 9.911 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.307 1.867 7.068 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.280 0.709 7.946 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.913 0.294 6.336 1.00 0.00 H new ATOM 1043 N ARG A 72 -1.503 -3.871 6.748 1.00 0.00 N ATOM 1044 CA ARG A 72 -0.807 -5.129 6.988 1.00 0.00 C ATOM 1045 C ARG A 72 0.224 -4.976 8.103 1.00 0.00 C ATOM 1046 O ARG A 72 0.511 -3.864 8.546 1.00 0.00 O ATOM 1047 CB ARG A 72 -0.121 -5.610 5.708 1.00 0.00 C ATOM 1048 CG ARG A 72 -1.015 -6.464 4.823 1.00 0.00 C ATOM 1049 CD ARG A 72 -0.204 -7.457 4.005 1.00 0.00 C ATOM 1050 NE ARG A 72 0.003 -8.714 4.720 1.00 0.00 N ATOM 1051 CZ ARG A 72 -0.977 -9.558 5.021 1.00 0.00 C ATOM 1052 NH1 ARG A 72 -2.226 -9.281 4.672 1.00 0.00 N ATOM 1053 NH2 ARG A 72 -0.709 -10.682 5.674 1.00 0.00 N ATOM 0 H ARG A 72 -1.039 -3.252 6.083 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.545 -5.870 7.297 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.218 -4.744 5.140 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.767 -6.184 5.975 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.734 -7.002 5.441 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.587 -5.821 4.154 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.716 -7.655 3.064 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.762 -7.018 3.756 1.00 0.00 H new ATOM 0 HE ARG A 72 0.952 -8.957 5.004 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.436 -8.418 4.171 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.977 -9.931 4.905 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.250 -10.898 5.945 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.462 -11.330 5.905 1.00 0.00 H new