USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 482 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 : B 16 CYS SG : rot 180:sc= 0 USER MOD Single : B 19 TYR OH : rot 180:sc=-0.00376 USER MOD Single : B 22 ASN : amide:sc= -1.44 X(o=-1.4,f=-1.6!) USER MOD Single : B 30 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.225) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ 127:sc= -0.011 (180deg=-0.21) USER MOD Single : B 39 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ 176:sc= 0.391 (180deg=0.335) USER MOD Single : B 49 ASN : amide:sc= -0.15 K(o=-0.15,f=-2.7) USER MOD Single : B 72 SER OG : rot 180:sc= 0 USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 138 N CYS B 16 12.793 -0.192 -0.626 1.00 0.00 N ATOM 139 CA CYS B 16 13.867 0.368 -1.440 1.00 0.00 C ATOM 140 C CYS B 16 13.836 1.894 -1.434 1.00 0.00 C ATOM 141 O CYS B 16 14.604 2.529 -2.156 1.00 0.00 O ATOM 142 CB CYS B 16 13.772 -0.162 -2.872 1.00 0.00 C ATOM 143 SG CYS B 16 14.193 -1.924 -2.916 1.00 0.00 S ATOM 0 HA CYS B 16 14.817 0.055 -1.006 1.00 0.00 H new ATOM 0 HB2 CYS B 16 12.763 -0.012 -3.257 1.00 0.00 H new ATOM 0 HB3 CYS B 16 14.447 0.397 -3.520 1.00 0.00 H new ATOM 0 HG CYS B 16 14.106 -2.361 -4.137 1.00 0.00 H new ATOM 149 N ARG B 17 12.953 2.492 -0.627 1.00 0.00 N ATOM 150 CA ARG B 17 12.815 3.944 -0.588 1.00 0.00 C ATOM 151 C ARG B 17 13.764 4.562 0.432 1.00 0.00 C ATOM 152 O ARG B 17 14.174 3.907 1.391 1.00 0.00 O ATOM 153 CB ARG B 17 11.358 4.350 -0.317 1.00 0.00 C ATOM 154 CG ARG B 17 10.483 3.908 -1.492 1.00 0.00 C ATOM 155 CD ARG B 17 9.044 4.410 -1.345 1.00 0.00 C ATOM 156 NE ARG B 17 8.238 3.952 -2.481 1.00 0.00 N ATOM 157 CZ ARG B 17 7.033 3.383 -2.379 1.00 0.00 C ATOM 158 NH1 ARG B 17 6.454 3.217 -1.194 1.00 0.00 N ATOM 159 NH2 ARG B 17 6.403 2.980 -3.478 1.00 0.00 N ATOM 0 H ARG B 17 12.327 1.991 0.004 1.00 0.00 H new ATOM 0 HA ARG B 17 13.091 4.333 -1.568 1.00 0.00 H new ATOM 0 HB2 ARG B 17 11.006 3.890 0.607 1.00 0.00 H new ATOM 0 HB3 ARG B 17 11.288 5.429 -0.183 1.00 0.00 H new ATOM 0 HG2 ARG B 17 10.907 4.284 -2.423 1.00 0.00 H new ATOM 0 HG3 ARG B 17 10.484 2.820 -1.558 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.615 4.044 -0.412 1.00 0.00 H new ATOM 0 HD3 ARG B 17 9.033 5.499 -1.295 1.00 0.00 H new ATOM 0 HE ARG B 17 8.625 4.077 -3.417 1.00 0.00 H new ATOM 0 HH11 ARG B 17 6.930 3.526 -0.346 1.00 0.00 H new ATOM 0 HH12 ARG B 17 5.534 2.781 -1.133 1.00 0.00 H new ATOM 0 HH21 ARG B 17 6.840 3.106 -4.391 1.00 0.00 H new ATOM 0 HH22 ARG B 17 5.483 2.545 -3.408 1.00 0.00 H new ATOM 173 N ILE B 18 14.107 5.832 0.216 1.00 0.00 N ATOM 174 CA ILE B 18 14.970 6.591 1.115 1.00 0.00 C ATOM 175 C ILE B 18 14.287 7.902 1.489 1.00 0.00 C ATOM 176 O ILE B 18 13.155 8.158 1.083 1.00 0.00 O ATOM 177 CB ILE B 18 16.332 6.848 0.451 1.00 0.00 C ATOM 178 CG1 ILE B 18 16.205 7.850 -0.704 1.00 0.00 C ATOM 179 CG2 ILE B 18 16.940 5.540 -0.048 1.00 0.00 C ATOM 180 CD1 ILE B 18 17.562 8.493 -1.002 1.00 0.00 C ATOM 0 H ILE B 18 13.790 6.365 -0.594 1.00 0.00 H new ATOM 0 HA ILE B 18 15.144 6.017 2.025 1.00 0.00 H new ATOM 0 HB ILE B 18 16.994 7.279 1.202 1.00 0.00 H new ATOM 0 HG12 ILE B 18 15.832 7.344 -1.594 1.00 0.00 H new ATOM 0 HG13 ILE B 18 15.478 8.621 -0.447 1.00 0.00 H new ATOM 0 HG21 ILE B 18 17.904 5.742 -0.515 1.00 0.00 H new ATOM 0 HG22 ILE B 18 17.079 4.860 0.792 1.00 0.00 H new ATOM 0 HG23 ILE B 18 16.272 5.083 -0.778 1.00 0.00 H new ATOM 0 HD11 ILE B 18 17.456 9.201 -1.824 1.00 0.00 H new ATOM 0 HD12 ILE B 18 17.919 9.016 -0.115 1.00 0.00 H new ATOM 0 HD13 ILE B 18 18.278 7.719 -1.280 1.00 0.00 H new ATOM 192 N TYR B 19 14.985 8.732 2.267 1.00 0.00 N ATOM 193 CA TYR B 19 14.471 10.008 2.735 1.00 0.00 C ATOM 194 C TYR B 19 15.531 11.105 2.787 1.00 0.00 C ATOM 195 O TYR B 19 16.712 10.818 2.974 1.00 0.00 O ATOM 196 CB TYR B 19 13.690 9.838 4.045 1.00 0.00 C ATOM 197 CG TYR B 19 13.693 11.053 4.943 1.00 0.00 C ATOM 198 CD1 TYR B 19 12.623 11.961 4.914 1.00 0.00 C ATOM 199 CD2 TYR B 19 14.769 11.258 5.816 1.00 0.00 C ATOM 200 CE1 TYR B 19 12.636 13.083 5.762 1.00 0.00 C ATOM 201 CE2 TYR B 19 14.787 12.374 6.664 1.00 0.00 C ATOM 202 CZ TYR B 19 13.723 13.295 6.632 1.00 0.00 C ATOM 203 OH TYR B 19 13.757 14.384 7.449 1.00 0.00 O ATOM 0 H TYR B 19 15.931 8.530 2.589 1.00 0.00 H new ATOM 0 HA TYR B 19 13.760 10.364 1.989 1.00 0.00 H new ATOM 0 HB2 TYR B 19 12.658 9.582 3.806 1.00 0.00 H new ATOM 0 HB3 TYR B 19 14.109 8.995 4.595 1.00 0.00 H new ATOM 0 HD1 TYR B 19 11.793 11.799 4.243 1.00 0.00 H new ATOM 0 HD2 TYR B 19 15.588 10.554 5.836 1.00 0.00 H new ATOM 0 HE1 TYR B 19 11.813 13.782 5.746 1.00 0.00 H new ATOM 0 HE2 TYR B 19 15.615 12.527 7.340 1.00 0.00 H new ATOM 0 HH TYR B 19 14.580 14.368 7.981 1.00 0.00 H new ATOM 213 N VAL B 20 15.109 12.362 2.620 1.00 0.00 N ATOM 214 CA VAL B 20 16.036 13.484 2.578 1.00 0.00 C ATOM 215 C VAL B 20 15.433 14.699 3.270 1.00 0.00 C ATOM 216 O VAL B 20 14.604 15.399 2.692 1.00 0.00 O ATOM 217 CB VAL B 20 16.388 13.814 1.120 1.00 0.00 C ATOM 218 CG1 VAL B 20 17.361 14.992 1.074 1.00 0.00 C ATOM 219 CG2 VAL B 20 17.030 12.614 0.423 1.00 0.00 C ATOM 0 H VAL B 20 14.129 12.623 2.512 1.00 0.00 H new ATOM 0 HA VAL B 20 16.948 13.209 3.107 1.00 0.00 H new ATOM 0 HB VAL B 20 15.464 14.070 0.602 1.00 0.00 H new ATOM 0 HG11 VAL B 20 17.607 15.221 0.037 1.00 0.00 H new ATOM 0 HG12 VAL B 20 16.899 15.863 1.538 1.00 0.00 H new ATOM 0 HG13 VAL B 20 18.272 14.733 1.614 1.00 0.00 H new ATOM 0 HG21 VAL B 20 17.269 12.877 -0.608 1.00 0.00 H new ATOM 0 HG22 VAL B 20 17.944 12.335 0.947 1.00 0.00 H new ATOM 0 HG23 VAL B 20 16.336 11.774 0.432 1.00 0.00 H new ATOM 229 N GLY B 21 15.856 14.947 4.512 1.00 0.00 N ATOM 230 CA GLY B 21 15.505 16.165 5.229 1.00 0.00 C ATOM 231 C GLY B 21 16.580 17.225 5.010 1.00 0.00 C ATOM 232 O GLY B 21 17.665 16.919 4.520 1.00 0.00 O ATOM 0 H GLY B 21 16.449 14.309 5.043 1.00 0.00 H new ATOM 0 HA2 GLY B 21 14.540 16.536 4.883 1.00 0.00 H new ATOM 0 HA3 GLY B 21 15.402 15.954 6.293 1.00 0.00 H new ATOM 236 N ASN B 22 16.276 18.473 5.376 1.00 0.00 N ATOM 237 CA ASN B 22 17.179 19.600 5.169 1.00 0.00 C ATOM 238 C ASN B 22 17.577 19.713 3.690 1.00 0.00 C ATOM 239 O ASN B 22 18.670 20.181 3.375 1.00 0.00 O ATOM 240 CB ASN B 22 18.402 19.460 6.079 1.00 0.00 C ATOM 241 CG ASN B 22 19.206 20.751 6.133 1.00 0.00 C ATOM 242 OD1 ASN B 22 18.663 21.841 5.986 1.00 0.00 O ATOM 243 ND2 ASN B 22 20.513 20.637 6.348 1.00 0.00 N ATOM 0 H ASN B 22 15.396 18.727 5.824 1.00 0.00 H new ATOM 0 HA ASN B 22 16.666 20.524 5.434 1.00 0.00 H new ATOM 0 HB2 ASN B 22 18.080 19.188 7.084 1.00 0.00 H new ATOM 0 HB3 ASN B 22 19.036 18.650 5.717 1.00 0.00 H new ATOM 0 HD21 ASN B 22 21.097 21.472 6.395 1.00 0.00 H new ATOM 0 HD22 ASN B 22 20.932 19.714 6.466 1.00 0.00 H new ATOM 250 N LEU B 23 16.690 19.278 2.788 1.00 0.00 N ATOM 251 CA LEU B 23 16.936 19.323 1.352 1.00 0.00 C ATOM 252 C LEU B 23 17.238 20.767 0.926 1.00 0.00 C ATOM 253 O LEU B 23 16.381 21.637 1.073 1.00 0.00 O ATOM 254 CB LEU B 23 15.702 18.780 0.623 1.00 0.00 C ATOM 255 CG LEU B 23 15.884 18.782 -0.899 1.00 0.00 C ATOM 256 CD1 LEU B 23 16.812 17.645 -1.325 1.00 0.00 C ATOM 257 CD2 LEU B 23 14.526 18.572 -1.567 1.00 0.00 C ATOM 0 H LEU B 23 15.782 18.886 3.039 1.00 0.00 H new ATOM 0 HA LEU B 23 17.798 18.707 1.095 1.00 0.00 H new ATOM 0 HB2 LEU B 23 15.499 17.764 0.962 1.00 0.00 H new ATOM 0 HB3 LEU B 23 14.832 19.383 0.884 1.00 0.00 H new ATOM 0 HG LEU B 23 16.317 19.737 -1.198 1.00 0.00 H new ATOM 0 HD11 LEU B 23 16.932 17.659 -2.408 1.00 0.00 H new ATOM 0 HD12 LEU B 23 17.785 17.773 -0.851 1.00 0.00 H new ATOM 0 HD13 LEU B 23 16.382 16.691 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU B 23 14.649 18.573 -2.650 1.00 0.00 H new ATOM 0 HD22 LEU B 23 14.108 17.616 -1.250 1.00 0.00 H new ATOM 0 HD23 LEU B 23 13.850 19.377 -1.278 1.00 0.00 H new ATOM 366 N LYS B 30 15.788 17.750 -12.330 1.00 0.00 N ATOM 367 CA LYS B 30 16.389 16.784 -13.237 1.00 0.00 C ATOM 368 C LYS B 30 17.664 16.193 -12.639 1.00 0.00 C ATOM 369 O LYS B 30 17.971 15.026 -12.868 1.00 0.00 O ATOM 370 CB LYS B 30 16.670 17.474 -14.577 1.00 0.00 C ATOM 371 CG LYS B 30 17.293 16.519 -15.601 1.00 0.00 C ATOM 372 CD LYS B 30 16.330 15.376 -15.928 1.00 0.00 C ATOM 373 CE LYS B 30 16.982 14.382 -16.883 1.00 0.00 C ATOM 374 NZ LYS B 30 17.336 15.015 -18.168 1.00 0.00 N ATOM 0 HA LYS B 30 15.699 15.955 -13.398 1.00 0.00 H new ATOM 0 HB2 LYS B 30 15.740 17.877 -14.978 1.00 0.00 H new ATOM 0 HB3 LYS B 30 17.340 18.318 -14.415 1.00 0.00 H new ATOM 0 HG2 LYS B 30 17.540 17.065 -16.512 1.00 0.00 H new ATOM 0 HG3 LYS B 30 18.226 16.114 -15.208 1.00 0.00 H new ATOM 0 HD2 LYS B 30 16.036 14.867 -15.010 1.00 0.00 H new ATOM 0 HD3 LYS B 30 15.421 15.776 -16.376 1.00 0.00 H new ATOM 0 HE2 LYS B 30 17.879 13.968 -16.422 1.00 0.00 H new ATOM 0 HE3 LYS B 30 16.302 13.549 -17.062 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 17.586 14.280 -18.860 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 16.525 15.561 -18.521 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 18.148 15.650 -18.030 1.00 0.00 H new ATOM 388 N ASP B 31 18.407 16.988 -11.866 1.00 0.00 N ATOM 389 CA ASP B 31 19.590 16.480 -11.183 1.00 0.00 C ATOM 390 C ASP B 31 19.196 15.413 -10.169 1.00 0.00 C ATOM 391 O ASP B 31 20.009 14.563 -9.810 1.00 0.00 O ATOM 392 CB ASP B 31 20.345 17.628 -10.504 1.00 0.00 C ATOM 393 CG ASP B 31 20.906 18.642 -11.500 1.00 0.00 C ATOM 394 OD1 ASP B 31 20.747 18.424 -12.721 1.00 0.00 O ATOM 395 OD2 ASP B 31 21.500 19.637 -11.024 1.00 0.00 O ATOM 0 H ASP B 31 18.210 17.975 -11.701 1.00 0.00 H new ATOM 0 HA ASP B 31 20.253 16.024 -11.918 1.00 0.00 H new ATOM 0 HB2 ASP B 31 19.675 18.138 -9.812 1.00 0.00 H new ATOM 0 HB3 ASP B 31 21.163 17.218 -9.911 1.00 0.00 H new ATOM 400 N ILE B 32 17.939 15.465 -9.709 1.00 0.00 N ATOM 401 CA ILE B 32 17.410 14.526 -8.732 1.00 0.00 C ATOM 402 C ILE B 32 17.257 13.130 -9.343 1.00 0.00 C ATOM 403 O ILE B 32 17.110 12.150 -8.609 1.00 0.00 O ATOM 404 CB ILE B 32 16.068 15.059 -8.208 1.00 0.00 C ATOM 405 CG1 ILE B 32 15.575 14.182 -7.050 1.00 0.00 C ATOM 406 CG2 ILE B 32 15.016 15.080 -9.323 1.00 0.00 C ATOM 407 CD1 ILE B 32 14.470 14.886 -6.264 1.00 0.00 C ATOM 0 H ILE B 32 17.263 16.167 -10.011 1.00 0.00 H new ATOM 0 HA ILE B 32 18.107 14.434 -7.899 1.00 0.00 H new ATOM 0 HB ILE B 32 16.219 16.079 -7.855 1.00 0.00 H new ATOM 0 HG12 ILE B 32 15.203 13.234 -7.439 1.00 0.00 H new ATOM 0 HG13 ILE B 32 16.407 13.949 -6.386 1.00 0.00 H new ATOM 0 HG21 ILE B 32 14.074 15.461 -8.928 1.00 0.00 H new ATOM 0 HG22 ILE B 32 15.357 15.725 -10.133 1.00 0.00 H new ATOM 0 HG23 ILE B 32 14.868 14.069 -9.702 1.00 0.00 H new ATOM 0 HD11 ILE B 32 14.138 14.244 -5.449 1.00 0.00 H new ATOM 0 HD12 ILE B 32 14.853 15.821 -5.856 1.00 0.00 H new ATOM 0 HD13 ILE B 32 13.630 15.096 -6.926 1.00 0.00 H new ATOM 419 N GLU B 33 17.290 13.020 -10.678 1.00 0.00 N ATOM 420 CA GLU B 33 17.172 11.726 -11.335 1.00 0.00 C ATOM 421 C GLU B 33 18.345 11.474 -12.285 1.00 0.00 C ATOM 422 O GLU B 33 18.359 10.461 -12.981 1.00 0.00 O ATOM 423 CB GLU B 33 15.817 11.613 -12.044 1.00 0.00 C ATOM 424 CG GLU B 33 15.677 12.622 -13.182 1.00 0.00 C ATOM 425 CD GLU B 33 14.341 12.464 -13.908 1.00 0.00 C ATOM 426 OE1 GLU B 33 14.076 13.289 -14.809 1.00 0.00 O ATOM 427 OE2 GLU B 33 13.594 11.520 -13.564 1.00 0.00 O ATOM 0 H GLU B 33 17.397 13.810 -11.314 1.00 0.00 H new ATOM 0 HA GLU B 33 17.215 10.945 -10.576 1.00 0.00 H new ATOM 0 HB2 GLU B 33 15.698 10.604 -12.438 1.00 0.00 H new ATOM 0 HB3 GLU B 33 15.016 11.769 -11.321 1.00 0.00 H new ATOM 0 HG2 GLU B 33 15.759 13.634 -12.785 1.00 0.00 H new ATOM 0 HG3 GLU B 33 16.495 12.490 -13.890 1.00 0.00 H new ATOM 434 N ASP B 34 19.326 12.382 -12.321 1.00 0.00 N ATOM 435 CA ASP B 34 20.560 12.154 -13.064 1.00 0.00 C ATOM 436 C ASP B 34 21.715 11.639 -12.212 1.00 0.00 C ATOM 437 O ASP B 34 22.212 10.535 -12.444 1.00 0.00 O ATOM 438 CB ASP B 34 20.963 13.402 -13.860 1.00 0.00 C ATOM 439 CG ASP B 34 20.120 13.589 -15.121 1.00 0.00 C ATOM 440 OD1 ASP B 34 19.271 12.713 -15.395 1.00 0.00 O ATOM 441 OD2 ASP B 34 20.341 14.616 -15.804 1.00 0.00 O ATOM 0 H ASP B 34 19.285 13.282 -11.842 1.00 0.00 H new ATOM 0 HA ASP B 34 20.338 11.348 -13.764 1.00 0.00 H new ATOM 0 HB2 ASP B 34 20.862 14.282 -13.225 1.00 0.00 H new ATOM 0 HB3 ASP B 34 22.015 13.328 -14.137 1.00 0.00 H new ATOM 446 N VAL B 35 22.156 12.423 -11.222 1.00 0.00 N ATOM 447 CA VAL B 35 23.357 12.072 -10.475 1.00 0.00 C ATOM 448 C VAL B 35 23.123 10.931 -9.491 1.00 0.00 C ATOM 449 O VAL B 35 23.962 10.041 -9.366 1.00 0.00 O ATOM 450 CB VAL B 35 23.951 13.317 -9.804 1.00 0.00 C ATOM 451 CG1 VAL B 35 23.187 13.700 -8.533 1.00 0.00 C ATOM 452 CG2 VAL B 35 25.407 13.053 -9.431 1.00 0.00 C ATOM 0 H VAL B 35 21.705 13.289 -10.927 1.00 0.00 H new ATOM 0 HA VAL B 35 24.092 11.693 -11.185 1.00 0.00 H new ATOM 0 HB VAL B 35 23.875 14.139 -10.516 1.00 0.00 H new ATOM 0 HG11 VAL B 35 23.640 14.586 -8.089 1.00 0.00 H new ATOM 0 HG12 VAL B 35 22.147 13.911 -8.783 1.00 0.00 H new ATOM 0 HG13 VAL B 35 23.229 12.876 -7.821 1.00 0.00 H new ATOM 0 HG21 VAL B 35 25.827 13.939 -8.954 1.00 0.00 H new ATOM 0 HG22 VAL B 35 25.459 12.211 -8.741 1.00 0.00 H new ATOM 0 HG23 VAL B 35 25.977 12.821 -10.331 1.00 0.00 H new ATOM 462 N PHE B 36 21.987 10.943 -8.791 1.00 0.00 N ATOM 463 CA PHE B 36 21.694 9.906 -7.817 1.00 0.00 C ATOM 464 C PHE B 36 21.288 8.623 -8.548 1.00 0.00 C ATOM 465 O PHE B 36 21.384 7.533 -7.985 1.00 0.00 O ATOM 466 CB PHE B 36 20.580 10.395 -6.897 1.00 0.00 C ATOM 467 CG PHE B 36 20.879 11.726 -6.246 1.00 0.00 C ATOM 468 CD1 PHE B 36 21.920 11.828 -5.308 1.00 0.00 C ATOM 469 CD2 PHE B 36 20.125 12.857 -6.582 1.00 0.00 C ATOM 470 CE1 PHE B 36 22.206 13.067 -4.716 1.00 0.00 C ATOM 471 CE2 PHE B 36 20.408 14.094 -5.988 1.00 0.00 C ATOM 472 CZ PHE B 36 21.447 14.199 -5.053 1.00 0.00 C ATOM 0 H PHE B 36 21.264 11.656 -8.884 1.00 0.00 H new ATOM 0 HA PHE B 36 22.575 9.688 -7.213 1.00 0.00 H new ATOM 0 HB2 PHE B 36 19.656 10.479 -7.470 1.00 0.00 H new ATOM 0 HB3 PHE B 36 20.407 9.650 -6.120 1.00 0.00 H new ATOM 0 HD1 PHE B 36 22.498 10.955 -5.044 1.00 0.00 H new ATOM 0 HD2 PHE B 36 19.323 12.776 -7.301 1.00 0.00 H new ATOM 0 HE1 PHE B 36 23.011 13.150 -4.000 1.00 0.00 H new ATOM 0 HE2 PHE B 36 19.826 14.965 -6.250 1.00 0.00 H new ATOM 0 HZ PHE B 36 21.664 15.151 -4.592 1.00 0.00 H new ATOM 482 N SER B 37 20.843 8.750 -9.802 1.00 0.00 N ATOM 483 CA SER B 37 20.523 7.593 -10.619 1.00 0.00 C ATOM 484 C SER B 37 21.805 6.881 -11.043 1.00 0.00 C ATOM 485 O SER B 37 21.807 5.665 -11.227 1.00 0.00 O ATOM 486 CB SER B 37 19.718 8.040 -11.838 1.00 0.00 C ATOM 487 OG SER B 37 19.438 6.931 -12.664 1.00 0.00 O ATOM 0 H SER B 37 20.699 9.646 -10.267 1.00 0.00 H new ATOM 0 HA SER B 37 19.922 6.891 -10.041 1.00 0.00 H new ATOM 0 HB2 SER B 37 18.788 8.509 -11.518 1.00 0.00 H new ATOM 0 HB3 SER B 37 20.277 8.789 -12.398 1.00 0.00 H new ATOM 0 HG SER B 37 18.920 7.225 -13.442 1.00 0.00 H new ATOM 493 N LYS B 38 22.902 7.631 -11.193 1.00 0.00 N ATOM 494 CA LYS B 38 24.198 7.028 -11.470 1.00 0.00 C ATOM 495 C LYS B 38 24.726 6.339 -10.207 1.00 0.00 C ATOM 496 O LYS B 38 25.476 5.370 -10.295 1.00 0.00 O ATOM 497 CB LYS B 38 25.163 8.106 -11.968 1.00 0.00 C ATOM 498 CG LYS B 38 26.501 7.478 -12.366 1.00 0.00 C ATOM 499 CD LYS B 38 27.407 8.515 -13.033 1.00 0.00 C ATOM 500 CE LYS B 38 27.793 9.631 -12.060 1.00 0.00 C ATOM 501 NZ LYS B 38 28.611 9.114 -10.947 1.00 0.00 N ATOM 0 H LYS B 38 22.913 8.649 -11.127 1.00 0.00 H new ATOM 0 HA LYS B 38 24.102 6.272 -12.249 1.00 0.00 H new ATOM 0 HB2 LYS B 38 24.729 8.626 -12.822 1.00 0.00 H new ATOM 0 HB3 LYS B 38 25.321 8.851 -11.188 1.00 0.00 H new ATOM 0 HG2 LYS B 38 26.994 7.071 -11.483 1.00 0.00 H new ATOM 0 HG3 LYS B 38 26.329 6.645 -13.048 1.00 0.00 H new ATOM 0 HD2 LYS B 38 28.308 8.027 -13.405 1.00 0.00 H new ATOM 0 HD3 LYS B 38 26.897 8.943 -13.896 1.00 0.00 H new ATOM 0 HE2 LYS B 38 28.347 10.405 -12.592 1.00 0.00 H new ATOM 0 HE3 LYS B 38 26.892 10.099 -11.664 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 29.486 9.672 -10.871 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 28.075 9.187 -10.059 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 28.850 8.118 -11.126 1.00 0.00 H new ATOM 515 N TYR B 39 24.332 6.844 -9.030 1.00 0.00 N ATOM 516 CA TYR B 39 24.720 6.245 -7.756 1.00 0.00 C ATOM 517 C TYR B 39 23.932 5.007 -7.322 1.00 0.00 C ATOM 518 O TYR B 39 24.425 4.240 -6.496 1.00 0.00 O ATOM 519 CB TYR B 39 24.731 7.300 -6.644 1.00 0.00 C ATOM 520 CG TYR B 39 26.027 8.072 -6.525 1.00 0.00 C ATOM 521 CD1 TYR B 39 26.459 8.909 -7.560 1.00 0.00 C ATOM 522 CD2 TYR B 39 26.792 7.943 -5.359 1.00 0.00 C ATOM 523 CE1 TYR B 39 27.656 9.629 -7.428 1.00 0.00 C ATOM 524 CE2 TYR B 39 27.990 8.655 -5.218 1.00 0.00 C ATOM 525 CZ TYR B 39 28.428 9.507 -6.252 1.00 0.00 C ATOM 526 OH TYR B 39 29.588 10.206 -6.120 1.00 0.00 O ATOM 0 H TYR B 39 23.742 7.671 -8.939 1.00 0.00 H new ATOM 0 HA TYR B 39 25.727 5.868 -7.934 1.00 0.00 H new ATOM 0 HB2 TYR B 39 23.918 8.004 -6.821 1.00 0.00 H new ATOM 0 HB3 TYR B 39 24.526 6.809 -5.693 1.00 0.00 H new ATOM 0 HD1 TYR B 39 25.871 9.001 -8.461 1.00 0.00 H new ATOM 0 HD2 TYR B 39 26.457 7.292 -4.565 1.00 0.00 H new ATOM 0 HE1 TYR B 39 27.987 10.277 -8.226 1.00 0.00 H new ATOM 0 HE2 TYR B 39 28.578 8.551 -4.318 1.00 0.00 H new ATOM 0 HH TYR B 39 29.993 10.007 -5.250 1.00 0.00 H new ATOM 536 N GLY B 40 22.724 4.792 -7.855 1.00 0.00 N ATOM 537 CA GLY B 40 21.910 3.673 -7.386 1.00 0.00 C ATOM 538 C GLY B 40 20.764 3.280 -8.320 1.00 0.00 C ATOM 539 O GLY B 40 19.811 2.638 -7.876 1.00 0.00 O ATOM 0 H GLY B 40 22.301 5.360 -8.589 1.00 0.00 H new ATOM 0 HA2 GLY B 40 22.556 2.807 -7.242 1.00 0.00 H new ATOM 0 HA3 GLY B 40 21.495 3.927 -6.411 1.00 0.00 H new ATOM 543 N ALA B 41 20.843 3.655 -9.600 1.00 0.00 N ATOM 544 CA ALA B 41 19.864 3.252 -10.604 1.00 0.00 C ATOM 545 C ALA B 41 18.426 3.487 -10.114 1.00 0.00 C ATOM 546 O ALA B 41 17.583 2.594 -10.197 1.00 0.00 O ATOM 547 CB ALA B 41 20.106 1.793 -11.002 1.00 0.00 C ATOM 0 H ALA B 41 21.589 4.247 -9.966 1.00 0.00 H new ATOM 0 HA ALA B 41 19.990 3.873 -11.491 1.00 0.00 H new ATOM 0 HB1 ALA B 41 19.374 1.494 -11.752 1.00 0.00 H new ATOM 0 HB2 ALA B 41 21.110 1.690 -11.414 1.00 0.00 H new ATOM 0 HB3 ALA B 41 20.007 1.155 -10.124 1.00 0.00 H new ATOM 553 N ILE B 42 18.160 4.693 -9.597 1.00 0.00 N ATOM 554 CA ILE B 42 16.847 5.069 -9.084 1.00 0.00 C ATOM 555 C ILE B 42 15.746 4.717 -10.085 1.00 0.00 C ATOM 556 O ILE B 42 15.892 4.946 -11.285 1.00 0.00 O ATOM 557 CB ILE B 42 16.841 6.571 -8.781 1.00 0.00 C ATOM 558 CG1 ILE B 42 17.711 6.835 -7.550 1.00 0.00 C ATOM 559 CG2 ILE B 42 15.417 7.085 -8.539 1.00 0.00 C ATOM 560 CD1 ILE B 42 17.996 8.328 -7.403 1.00 0.00 C ATOM 0 H ILE B 42 18.856 5.435 -9.525 1.00 0.00 H new ATOM 0 HA ILE B 42 16.648 4.512 -8.169 1.00 0.00 H new ATOM 0 HB ILE B 42 17.243 7.104 -9.643 1.00 0.00 H new ATOM 0 HG12 ILE B 42 17.208 6.466 -6.656 1.00 0.00 H new ATOM 0 HG13 ILE B 42 18.649 6.287 -7.637 1.00 0.00 H new ATOM 0 HG21 ILE B 42 15.447 8.154 -8.327 1.00 0.00 H new ATOM 0 HG22 ILE B 42 14.811 6.908 -9.427 1.00 0.00 H new ATOM 0 HG23 ILE B 42 14.980 6.559 -7.691 1.00 0.00 H new ATOM 0 HD11 ILE B 42 18.616 8.495 -6.522 1.00 0.00 H new ATOM 0 HD12 ILE B 42 18.520 8.687 -8.289 1.00 0.00 H new ATOM 0 HD13 ILE B 42 17.056 8.869 -7.293 1.00 0.00 H new ATOM 572 N ARG B 43 14.640 4.163 -9.578 1.00 0.00 N ATOM 573 CA ARG B 43 13.498 3.787 -10.397 1.00 0.00 C ATOM 574 C ARG B 43 12.402 4.844 -10.347 1.00 0.00 C ATOM 575 O ARG B 43 11.693 5.029 -11.335 1.00 0.00 O ATOM 576 CB ARG B 43 12.948 2.441 -9.913 1.00 0.00 C ATOM 577 CG ARG B 43 13.943 1.317 -10.198 1.00 0.00 C ATOM 578 CD ARG B 43 13.356 -0.018 -9.730 1.00 0.00 C ATOM 579 NE ARG B 43 13.276 -0.086 -8.268 1.00 0.00 N ATOM 580 CZ ARG B 43 12.141 -0.034 -7.564 1.00 0.00 C ATOM 581 NH1 ARG B 43 10.963 0.105 -8.166 1.00 0.00 N ATOM 582 NH2 ARG B 43 12.186 -0.122 -6.239 1.00 0.00 N ATOM 0 H ARG B 43 14.518 3.965 -8.585 1.00 0.00 H new ATOM 0 HA ARG B 43 13.831 3.703 -11.432 1.00 0.00 H new ATOM 0 HB2 ARG B 43 12.743 2.490 -8.844 1.00 0.00 H new ATOM 0 HB3 ARG B 43 12.001 2.230 -10.410 1.00 0.00 H new ATOM 0 HG2 ARG B 43 14.164 1.275 -11.264 1.00 0.00 H new ATOM 0 HG3 ARG B 43 14.885 1.512 -9.685 1.00 0.00 H new ATOM 0 HD2 ARG B 43 12.361 -0.149 -10.156 1.00 0.00 H new ATOM 0 HD3 ARG B 43 13.972 -0.837 -10.100 1.00 0.00 H new ATOM 0 HE ARG B 43 14.150 -0.180 -7.750 1.00 0.00 H new ATOM 0 HH11 ARG B 43 10.915 0.174 -9.183 1.00 0.00 H new ATOM 0 HH12 ARG B 43 10.108 0.143 -7.611 1.00 0.00 H new ATOM 0 HH21 ARG B 43 13.083 -0.229 -5.765 1.00 0.00 H new ATOM 0 HH22 ARG B 43 11.324 -0.083 -5.696 1.00 0.00 H new ATOM 596 N ASP B 44 12.263 5.532 -9.211 1.00 0.00 N ATOM 597 CA ASP B 44 11.219 6.533 -9.013 1.00 0.00 C ATOM 598 C ASP B 44 11.624 7.671 -8.076 1.00 0.00 C ATOM 599 O ASP B 44 12.521 7.518 -7.244 1.00 0.00 O ATOM 600 CB ASP B 44 9.916 5.871 -8.539 1.00 0.00 C ATOM 601 CG ASP B 44 9.138 5.230 -9.685 1.00 0.00 C ATOM 602 OD1 ASP B 44 8.641 4.102 -9.474 1.00 0.00 O ATOM 603 OD2 ASP B 44 9.045 5.868 -10.757 1.00 0.00 O ATOM 0 H ASP B 44 12.873 5.408 -8.403 1.00 0.00 H new ATOM 0 HA ASP B 44 11.055 6.994 -9.987 1.00 0.00 H new ATOM 0 HB2 ASP B 44 10.148 5.112 -7.792 1.00 0.00 H new ATOM 0 HB3 ASP B 44 9.289 6.617 -8.051 1.00 0.00 H new ATOM 608 N ILE B 45 10.951 8.815 -8.217 1.00 0.00 N ATOM 609 CA ILE B 45 11.184 9.992 -7.392 1.00 0.00 C ATOM 610 C ILE B 45 9.855 10.446 -6.789 1.00 0.00 C ATOM 611 O ILE B 45 8.797 10.218 -7.378 1.00 0.00 O ATOM 612 CB ILE B 45 11.849 11.099 -8.232 1.00 0.00 C ATOM 613 CG1 ILE B 45 13.315 10.748 -8.525 1.00 0.00 C ATOM 614 CG2 ILE B 45 11.822 12.435 -7.488 1.00 0.00 C ATOM 615 CD1 ILE B 45 13.453 9.981 -9.842 1.00 0.00 C ATOM 0 H ILE B 45 10.221 8.947 -8.917 1.00 0.00 H new ATOM 0 HA ILE B 45 11.865 9.756 -6.575 1.00 0.00 H new ATOM 0 HB ILE B 45 11.289 11.181 -9.164 1.00 0.00 H new ATOM 0 HG12 ILE B 45 13.907 11.662 -8.571 1.00 0.00 H new ATOM 0 HG13 ILE B 45 13.717 10.148 -7.709 1.00 0.00 H new ATOM 0 HG21 ILE B 45 12.297 13.202 -8.100 1.00 0.00 H new ATOM 0 HG22 ILE B 45 10.789 12.719 -7.287 1.00 0.00 H new ATOM 0 HG23 ILE B 45 12.361 12.338 -6.546 1.00 0.00 H new ATOM 0 HD11 ILE B 45 14.503 9.748 -10.019 1.00 0.00 H new ATOM 0 HD12 ILE B 45 12.881 9.055 -9.786 1.00 0.00 H new ATOM 0 HD13 ILE B 45 13.074 10.593 -10.661 1.00 0.00 H new ATOM 627 N ASP B 46 9.904 11.088 -5.619 1.00 0.00 N ATOM 628 CA ASP B 46 8.707 11.513 -4.915 1.00 0.00 C ATOM 629 C ASP B 46 9.006 12.791 -4.133 1.00 0.00 C ATOM 630 O ASP B 46 8.681 12.897 -2.949 1.00 0.00 O ATOM 631 CB ASP B 46 8.259 10.387 -3.984 1.00 0.00 C ATOM 632 CG ASP B 46 6.885 10.653 -3.370 1.00 0.00 C ATOM 633 OD1 ASP B 46 6.517 9.899 -2.446 1.00 0.00 O ATOM 634 OD2 ASP B 46 6.216 11.608 -3.828 1.00 0.00 O ATOM 0 H ASP B 46 10.774 11.324 -5.141 1.00 0.00 H new ATOM 0 HA ASP B 46 7.903 11.727 -5.619 1.00 0.00 H new ATOM 0 HB2 ASP B 46 8.231 9.449 -4.539 1.00 0.00 H new ATOM 0 HB3 ASP B 46 8.993 10.264 -3.187 1.00 0.00 H new ATOM 639 N LEU B 47 9.635 13.765 -4.795 1.00 0.00 N ATOM 640 CA LEU B 47 9.934 15.052 -4.182 1.00 0.00 C ATOM 641 C LEU B 47 8.642 15.835 -3.938 1.00 0.00 C ATOM 642 O LEU B 47 8.001 16.287 -4.882 1.00 0.00 O ATOM 643 CB LEU B 47 10.891 15.826 -5.097 1.00 0.00 C ATOM 644 CG LEU B 47 11.108 17.271 -4.619 1.00 0.00 C ATOM 645 CD1 LEU B 47 11.784 17.290 -3.250 1.00 0.00 C ATOM 646 CD2 LEU B 47 11.994 18.005 -5.622 1.00 0.00 C ATOM 0 H LEU B 47 9.947 13.681 -5.762 1.00 0.00 H new ATOM 0 HA LEU B 47 10.414 14.902 -3.215 1.00 0.00 H new ATOM 0 HB2 LEU B 47 11.850 15.310 -5.137 1.00 0.00 H new ATOM 0 HB3 LEU B 47 10.493 15.836 -6.112 1.00 0.00 H new ATOM 0 HG LEU B 47 10.138 17.762 -4.540 1.00 0.00 H new ATOM 0 HD11 LEU B 47 11.929 18.322 -2.930 1.00 0.00 H new ATOM 0 HD12 LEU B 47 11.156 16.770 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU B 47 12.751 16.791 -3.315 1.00 0.00 H new ATOM 0 HD21 LEU B 47 12.151 19.030 -5.287 1.00 0.00 H new ATOM 0 HD22 LEU B 47 12.956 17.497 -5.698 1.00 0.00 H new ATOM 0 HD23 LEU B 47 11.509 18.012 -6.598 1.00 0.00 H new ATOM 658 N LYS B 48 8.272 15.991 -2.667 1.00 0.00 N ATOM 659 CA LYS B 48 7.123 16.790 -2.265 1.00 0.00 C ATOM 660 C LYS B 48 7.605 18.200 -1.934 1.00 0.00 C ATOM 661 O LYS B 48 8.717 18.370 -1.436 1.00 0.00 O ATOM 662 CB LYS B 48 6.455 16.139 -1.053 1.00 0.00 C ATOM 663 CG LYS B 48 6.236 14.639 -1.274 1.00 0.00 C ATOM 664 CD LYS B 48 5.395 14.066 -0.128 1.00 0.00 C ATOM 665 CE LYS B 48 5.474 12.537 -0.121 1.00 0.00 C ATOM 666 NZ LYS B 48 4.952 11.954 -1.370 1.00 0.00 N ATOM 0 H LYS B 48 8.767 15.562 -1.885 1.00 0.00 H new ATOM 0 HA LYS B 48 6.390 16.846 -3.070 1.00 0.00 H new ATOM 0 HB2 LYS B 48 7.074 16.291 -0.169 1.00 0.00 H new ATOM 0 HB3 LYS B 48 5.498 16.623 -0.859 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.733 14.471 -2.226 1.00 0.00 H new ATOM 0 HG3 LYS B 48 7.196 14.125 -1.326 1.00 0.00 H new ATOM 0 HD2 LYS B 48 5.751 14.459 0.824 1.00 0.00 H new ATOM 0 HD3 LYS B 48 4.358 14.382 -0.236 1.00 0.00 H new ATOM 0 HE2 LYS B 48 6.510 12.228 0.019 1.00 0.00 H new ATOM 0 HE3 LYS B 48 4.908 12.148 0.725 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 5.085 10.923 -1.354 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 3.939 12.171 -1.457 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 5.463 12.356 -2.181 1.00 0.00 H new ATOM 680 N ASN B 49 6.777 19.212 -2.206 1.00 0.00 N ATOM 681 CA ASN B 49 7.155 20.604 -1.969 1.00 0.00 C ATOM 682 C ASN B 49 5.940 21.514 -1.763 1.00 0.00 C ATOM 683 O ASN B 49 6.083 22.735 -1.777 1.00 0.00 O ATOM 684 CB ASN B 49 8.029 21.110 -3.126 1.00 0.00 C ATOM 685 CG ASN B 49 7.398 20.873 -4.492 1.00 0.00 C ATOM 686 OD1 ASN B 49 6.222 20.546 -4.598 1.00 0.00 O ATOM 687 ND2 ASN B 49 8.182 21.037 -5.549 1.00 0.00 N ATOM 0 H ASN B 49 5.840 19.091 -2.591 1.00 0.00 H new ATOM 0 HA ASN B 49 7.728 20.638 -1.042 1.00 0.00 H new ATOM 0 HB2 ASN B 49 8.213 22.176 -2.996 1.00 0.00 H new ATOM 0 HB3 ASN B 49 8.998 20.612 -3.088 1.00 0.00 H new ATOM 0 HD21 ASN B 49 7.810 20.890 -6.487 1.00 0.00 H new ATOM 0 HD22 ASN B 49 9.157 21.310 -5.424 1.00 0.00 H new ATOM 770 N PRO B 55 10.256 20.935 1.933 1.00 0.00 N ATOM 771 CA PRO B 55 10.642 20.057 0.840 1.00 0.00 C ATOM 772 C PRO B 55 11.425 18.842 1.327 1.00 0.00 C ATOM 773 O PRO B 55 12.384 18.974 2.090 1.00 0.00 O ATOM 774 CB PRO B 55 11.480 20.918 -0.106 1.00 0.00 C ATOM 775 CG PRO B 55 11.051 22.352 0.207 1.00 0.00 C ATOM 776 CD PRO B 55 10.682 22.301 1.690 1.00 0.00 C ATOM 0 HA PRO B 55 9.763 19.648 0.341 1.00 0.00 H new ATOM 0 HB2 PRO B 55 12.547 20.775 0.067 1.00 0.00 H new ATOM 0 HB3 PRO B 55 11.289 20.664 -1.149 1.00 0.00 H new ATOM 0 HG2 PRO B 55 11.857 23.062 0.018 1.00 0.00 H new ATOM 0 HG3 PRO B 55 10.204 22.660 -0.406 1.00 0.00 H new ATOM 0 HD2 PRO B 55 11.534 22.564 2.316 1.00 0.00 H new ATOM 0 HD3 PRO B 55 9.886 23.008 1.922 1.00 0.00 H new ATOM 784 N PHE B 56 11.010 17.654 0.879 1.00 0.00 N ATOM 785 CA PHE B 56 11.665 16.397 1.208 1.00 0.00 C ATOM 786 C PHE B 56 11.132 15.386 0.192 1.00 0.00 C ATOM 787 O PHE B 56 10.158 15.662 -0.510 1.00 0.00 O ATOM 788 CB PHE B 56 11.270 15.996 2.636 1.00 0.00 C ATOM 789 CG PHE B 56 9.913 15.336 2.770 1.00 0.00 C ATOM 790 CD1 PHE B 56 9.834 14.015 3.226 1.00 0.00 C ATOM 791 CD2 PHE B 56 8.740 16.041 2.459 1.00 0.00 C ATOM 792 CE1 PHE B 56 8.585 13.400 3.388 1.00 0.00 C ATOM 793 CE2 PHE B 56 7.492 15.421 2.605 1.00 0.00 C ATOM 794 CZ PHE B 56 7.414 14.097 3.069 1.00 0.00 C ATOM 0 H PHE B 56 10.199 17.543 0.270 1.00 0.00 H new ATOM 0 HA PHE B 56 12.753 16.457 1.167 1.00 0.00 H new ATOM 0 HB2 PHE B 56 12.027 15.316 3.028 1.00 0.00 H new ATOM 0 HB3 PHE B 56 11.286 16.887 3.264 1.00 0.00 H new ATOM 0 HD1 PHE B 56 10.737 13.469 3.453 1.00 0.00 H new ATOM 0 HD2 PHE B 56 8.799 17.060 2.107 1.00 0.00 H new ATOM 0 HE1 PHE B 56 8.526 12.388 3.759 1.00 0.00 H new ATOM 0 HE2 PHE B 56 6.589 15.961 2.361 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.452 13.618 3.179 1.00 0.00 H new ATOM 804 N ALA B 57 11.764 14.210 0.100 1.00 0.00 N ATOM 805 CA ALA B 57 11.439 13.268 -0.959 1.00 0.00 C ATOM 806 C ALA B 57 11.521 11.818 -0.490 1.00 0.00 C ATOM 807 O ALA B 57 12.152 11.513 0.521 1.00 0.00 O ATOM 808 CB ALA B 57 12.394 13.499 -2.132 1.00 0.00 C ATOM 0 H ALA B 57 12.493 13.897 0.741 1.00 0.00 H new ATOM 0 HA ALA B 57 10.408 13.441 -1.267 1.00 0.00 H new ATOM 0 HB1 ALA B 57 12.161 12.799 -2.934 1.00 0.00 H new ATOM 0 HB2 ALA B 57 12.281 14.520 -2.498 1.00 0.00 H new ATOM 0 HB3 ALA B 57 13.421 13.344 -1.801 1.00 0.00 H new ATOM 814 N PHE B 58 10.871 10.932 -1.254 1.00 0.00 N ATOM 815 CA PHE B 58 10.920 9.492 -1.056 1.00 0.00 C ATOM 816 C PHE B 58 11.483 8.748 -2.265 1.00 0.00 C ATOM 817 O PHE B 58 10.801 7.915 -2.863 1.00 0.00 O ATOM 818 CB PHE B 58 9.570 8.940 -0.607 1.00 0.00 C ATOM 819 CG PHE B 58 9.236 9.243 0.833 1.00 0.00 C ATOM 820 CD1 PHE B 58 9.979 8.657 1.864 1.00 0.00 C ATOM 821 CD2 PHE B 58 8.177 10.106 1.133 1.00 0.00 C ATOM 822 CE1 PHE B 58 9.668 8.942 3.198 1.00 0.00 C ATOM 823 CE2 PHE B 58 7.869 10.400 2.466 1.00 0.00 C ATOM 824 CZ PHE B 58 8.614 9.813 3.501 1.00 0.00 C ATOM 0 H PHE B 58 10.286 11.210 -2.042 1.00 0.00 H new ATOM 0 HA PHE B 58 11.624 9.311 -0.244 1.00 0.00 H new ATOM 0 HB2 PHE B 58 8.789 9.352 -1.246 1.00 0.00 H new ATOM 0 HB3 PHE B 58 9.563 7.860 -0.752 1.00 0.00 H new ATOM 0 HD1 PHE B 58 10.792 7.985 1.630 1.00 0.00 H new ATOM 0 HD2 PHE B 58 7.597 10.546 0.335 1.00 0.00 H new ATOM 0 HE1 PHE B 58 10.241 8.490 3.994 1.00 0.00 H new ATOM 0 HE2 PHE B 58 7.060 11.077 2.698 1.00 0.00 H new ATOM 0 HZ PHE B 58 8.374 10.033 4.531 1.00 0.00 H new ATOM 834 N VAL B 59 12.732 9.059 -2.622 1.00 0.00 N ATOM 835 CA VAL B 59 13.376 8.471 -3.789 1.00 0.00 C ATOM 836 C VAL B 59 13.397 6.954 -3.633 1.00 0.00 C ATOM 837 O VAL B 59 13.577 6.447 -2.528 1.00 0.00 O ATOM 838 CB VAL B 59 14.788 9.043 -3.924 1.00 0.00 C ATOM 839 CG1 VAL B 59 15.538 8.356 -5.059 1.00 0.00 C ATOM 840 CG2 VAL B 59 14.715 10.543 -4.220 1.00 0.00 C ATOM 0 H VAL B 59 13.317 9.720 -2.112 1.00 0.00 H new ATOM 0 HA VAL B 59 12.824 8.713 -4.697 1.00 0.00 H new ATOM 0 HB VAL B 59 15.316 8.872 -2.986 1.00 0.00 H new ATOM 0 HG11 VAL B 59 16.540 8.776 -5.140 1.00 0.00 H new ATOM 0 HG12 VAL B 59 15.608 7.288 -4.855 1.00 0.00 H new ATOM 0 HG13 VAL B 59 15.003 8.512 -5.996 1.00 0.00 H new ATOM 0 HG21 VAL B 59 15.724 10.945 -4.315 1.00 0.00 H new ATOM 0 HG22 VAL B 59 14.171 10.704 -5.151 1.00 0.00 H new ATOM 0 HG23 VAL B 59 14.198 11.050 -3.405 1.00 0.00 H new ATOM 850 N GLU B 60 13.216 6.225 -4.737 1.00 0.00 N ATOM 851 CA GLU B 60 13.113 4.772 -4.697 1.00 0.00 C ATOM 852 C GLU B 60 14.203 4.124 -5.546 1.00 0.00 C ATOM 853 O GLU B 60 14.287 4.356 -6.753 1.00 0.00 O ATOM 854 CB GLU B 60 11.712 4.359 -5.147 1.00 0.00 C ATOM 855 CG GLU B 60 11.556 2.840 -5.086 1.00 0.00 C ATOM 856 CD GLU B 60 10.088 2.407 -5.191 1.00 0.00 C ATOM 857 OE1 GLU B 60 9.868 1.185 -5.349 1.00 0.00 O ATOM 858 OE2 GLU B 60 9.208 3.292 -5.116 1.00 0.00 O ATOM 0 H GLU B 60 13.138 6.624 -5.672 1.00 0.00 H new ATOM 0 HA GLU B 60 13.266 4.421 -3.677 1.00 0.00 H new ATOM 0 HB2 GLU B 60 10.965 4.833 -4.511 1.00 0.00 H new ATOM 0 HB3 GLU B 60 11.533 4.708 -6.164 1.00 0.00 H new ATOM 0 HG2 GLU B 60 12.127 2.384 -5.895 1.00 0.00 H new ATOM 0 HG3 GLU B 60 11.977 2.470 -4.151 1.00 0.00 H new ATOM 865 N PHE B 61 15.035 3.304 -4.896 1.00 0.00 N ATOM 866 CA PHE B 61 16.203 2.688 -5.508 1.00 0.00 C ATOM 867 C PHE B 61 15.983 1.313 -6.135 1.00 0.00 C ATOM 868 O PHE B 61 14.962 0.668 -5.903 1.00 0.00 O ATOM 869 CB PHE B 61 17.363 2.673 -4.512 1.00 0.00 C ATOM 870 CG PHE B 61 18.048 4.013 -4.373 1.00 0.00 C ATOM 871 CD1 PHE B 61 17.358 5.106 -3.833 1.00 0.00 C ATOM 872 CD2 PHE B 61 19.381 4.164 -4.783 1.00 0.00 C ATOM 873 CE1 PHE B 61 17.983 6.349 -3.729 1.00 0.00 C ATOM 874 CE2 PHE B 61 20.013 5.410 -4.668 1.00 0.00 C ATOM 875 CZ PHE B 61 19.310 6.504 -4.150 1.00 0.00 C ATOM 0 H PHE B 61 14.909 3.050 -3.916 1.00 0.00 H new ATOM 0 HA PHE B 61 16.446 3.318 -6.364 1.00 0.00 H new ATOM 0 HB2 PHE B 61 16.991 2.360 -3.536 1.00 0.00 H new ATOM 0 HB3 PHE B 61 18.095 1.930 -4.828 1.00 0.00 H new ATOM 0 HD1 PHE B 61 16.339 4.986 -3.496 1.00 0.00 H new ATOM 0 HD2 PHE B 61 19.920 3.320 -5.187 1.00 0.00 H new ATOM 0 HE1 PHE B 61 17.443 7.192 -3.324 1.00 0.00 H new ATOM 0 HE2 PHE B 61 21.041 5.526 -4.979 1.00 0.00 H new ATOM 0 HZ PHE B 61 19.791 7.468 -4.075 1.00 0.00 H new ATOM 885 N GLU B 62 16.953 0.864 -6.934 1.00 0.00 N ATOM 886 CA GLU B 62 16.950 -0.479 -7.500 1.00 0.00 C ATOM 887 C GLU B 62 17.224 -1.513 -6.405 1.00 0.00 C ATOM 888 O GLU B 62 16.676 -2.614 -6.437 1.00 0.00 O ATOM 889 CB GLU B 62 18.012 -0.549 -8.605 1.00 0.00 C ATOM 890 CG GLU B 62 18.314 -1.991 -9.049 1.00 0.00 C ATOM 891 CD GLU B 62 17.119 -2.673 -9.719 1.00 0.00 C ATOM 892 OE1 GLU B 62 17.269 -3.865 -10.071 1.00 0.00 O ATOM 893 OE2 GLU B 62 16.070 -2.004 -9.877 1.00 0.00 O ATOM 0 H GLU B 62 17.761 1.424 -7.205 1.00 0.00 H new ATOM 0 HA GLU B 62 15.973 -0.703 -7.929 1.00 0.00 H new ATOM 0 HB2 GLU B 62 17.674 0.028 -9.465 1.00 0.00 H new ATOM 0 HB3 GLU B 62 18.931 -0.083 -8.250 1.00 0.00 H new ATOM 0 HG2 GLU B 62 19.156 -1.983 -9.741 1.00 0.00 H new ATOM 0 HG3 GLU B 62 18.620 -2.576 -8.182 1.00 0.00 H new ATOM 900 N ASP B 63 18.074 -1.149 -5.440 1.00 0.00 N ATOM 901 CA ASP B 63 18.426 -1.981 -4.296 1.00 0.00 C ATOM 902 C ASP B 63 18.751 -1.146 -3.059 1.00 0.00 C ATOM 903 O ASP B 63 19.263 -0.037 -3.185 1.00 0.00 O ATOM 904 CB ASP B 63 19.589 -2.921 -4.647 1.00 0.00 C ATOM 905 CG ASP B 63 19.142 -4.142 -5.449 1.00 0.00 C ATOM 906 OD1 ASP B 63 18.079 -4.706 -5.106 1.00 0.00 O ATOM 907 OD2 ASP B 63 19.875 -4.501 -6.398 1.00 0.00 O ATOM 0 H ASP B 63 18.545 -0.244 -5.437 1.00 0.00 H new ATOM 0 HA ASP B 63 17.553 -2.587 -4.052 1.00 0.00 H new ATOM 0 HB2 ASP B 63 20.336 -2.370 -5.219 1.00 0.00 H new ATOM 0 HB3 ASP B 63 20.072 -3.253 -3.728 1.00 0.00 H new ATOM 912 N PRO B 64 18.460 -1.666 -1.860 1.00 0.00 N ATOM 913 CA PRO B 64 18.713 -0.971 -0.609 1.00 0.00 C ATOM 914 C PRO B 64 20.212 -0.902 -0.311 1.00 0.00 C ATOM 915 O PRO B 64 20.637 -0.098 0.518 1.00 0.00 O ATOM 916 CB PRO B 64 17.987 -1.792 0.455 1.00 0.00 C ATOM 917 CG PRO B 64 17.934 -3.202 -0.129 1.00 0.00 C ATOM 918 CD PRO B 64 17.859 -2.967 -1.635 1.00 0.00 C ATOM 0 HA PRO B 64 18.362 0.060 -0.641 1.00 0.00 H new ATOM 0 HB2 PRO B 64 18.522 -1.774 1.405 1.00 0.00 H new ATOM 0 HB3 PRO B 64 16.987 -1.402 0.645 1.00 0.00 H new ATOM 0 HG2 PRO B 64 18.817 -3.781 0.142 1.00 0.00 H new ATOM 0 HG3 PRO B 64 17.067 -3.753 0.234 1.00 0.00 H new ATOM 0 HD2 PRO B 64 18.394 -3.745 -2.180 1.00 0.00 H new ATOM 0 HD3 PRO B 64 16.826 -2.987 -1.983 1.00 0.00 H new ATOM 926 N ARG B 65 21.014 -1.742 -0.978 1.00 0.00 N ATOM 927 CA ARG B 65 22.457 -1.770 -0.777 1.00 0.00 C ATOM 928 C ARG B 65 23.149 -0.612 -1.499 1.00 0.00 C ATOM 929 O ARG B 65 24.318 -0.336 -1.242 1.00 0.00 O ATOM 930 CB ARG B 65 23.019 -3.114 -1.250 1.00 0.00 C ATOM 931 CG ARG B 65 22.396 -4.293 -0.496 1.00 0.00 C ATOM 932 CD ARG B 65 22.566 -4.153 1.021 1.00 0.00 C ATOM 933 NE ARG B 65 23.977 -3.987 1.394 1.00 0.00 N ATOM 934 CZ ARG B 65 24.814 -4.997 1.640 1.00 0.00 C ATOM 935 NH1 ARG B 65 24.402 -6.262 1.544 1.00 0.00 N ATOM 936 NH2 ARG B 65 26.070 -4.742 1.985 1.00 0.00 N ATOM 0 H ARG B 65 20.677 -2.415 -1.667 1.00 0.00 H new ATOM 0 HA ARG B 65 22.655 -1.652 0.288 1.00 0.00 H new ATOM 0 HB2 ARG B 65 22.835 -3.228 -2.318 1.00 0.00 H new ATOM 0 HB3 ARG B 65 24.100 -3.125 -1.110 1.00 0.00 H new ATOM 0 HG2 ARG B 65 21.335 -4.360 -0.738 1.00 0.00 H new ATOM 0 HG3 ARG B 65 22.858 -5.222 -0.829 1.00 0.00 H new ATOM 0 HD2 ARG B 65 21.992 -3.296 1.374 1.00 0.00 H new ATOM 0 HD3 ARG B 65 22.159 -5.035 1.516 1.00 0.00 H new ATOM 0 HE ARG B 65 24.341 -3.037 1.470 1.00 0.00 H new ATOM 0 HH11 ARG B 65 23.438 -6.466 1.280 1.00 0.00 H new ATOM 0 HH12 ARG B 65 25.051 -7.026 1.734 1.00 0.00 H new ATOM 0 HH21 ARG B 65 26.392 -3.777 2.061 1.00 0.00 H new ATOM 0 HH22 ARG B 65 26.713 -5.511 2.174 1.00 0.00 H new ATOM 950 N ASP B 66 22.432 0.063 -2.398 1.00 0.00 N ATOM 951 CA ASP B 66 22.978 1.215 -3.103 1.00 0.00 C ATOM 952 C ASP B 66 23.011 2.461 -2.221 1.00 0.00 C ATOM 953 O ASP B 66 23.610 3.472 -2.586 1.00 0.00 O ATOM 954 CB ASP B 66 22.192 1.463 -4.392 1.00 0.00 C ATOM 955 CG ASP B 66 22.378 0.336 -5.413 1.00 0.00 C ATOM 956 OD1 ASP B 66 21.686 0.395 -6.452 1.00 0.00 O ATOM 957 OD2 ASP B 66 23.202 -0.567 -5.147 1.00 0.00 O ATOM 0 H ASP B 66 21.472 -0.171 -2.653 1.00 0.00 H new ATOM 0 HA ASP B 66 24.012 0.991 -3.364 1.00 0.00 H new ATOM 0 HB2 ASP B 66 21.133 1.564 -4.155 1.00 0.00 H new ATOM 0 HB3 ASP B 66 22.512 2.407 -4.834 1.00 0.00 H new ATOM 962 N ALA B 67 22.363 2.389 -1.053 1.00 0.00 N ATOM 963 CA ALA B 67 22.320 3.497 -0.111 1.00 0.00 C ATOM 964 C ALA B 67 23.681 3.704 0.559 1.00 0.00 C ATOM 965 O ALA B 67 23.898 4.713 1.225 1.00 0.00 O ATOM 966 CB ALA B 67 21.244 3.210 0.941 1.00 0.00 C ATOM 0 H ALA B 67 21.857 1.560 -0.741 1.00 0.00 H new ATOM 0 HA ALA B 67 22.077 4.414 -0.648 1.00 0.00 H new ATOM 0 HB1 ALA B 67 21.202 4.034 1.653 1.00 0.00 H new ATOM 0 HB2 ALA B 67 20.276 3.104 0.452 1.00 0.00 H new ATOM 0 HB3 ALA B 67 21.487 2.287 1.468 1.00 0.00 H new ATOM 972 N GLU B 68 24.606 2.755 0.384 1.00 0.00 N ATOM 973 CA GLU B 68 25.928 2.846 0.990 1.00 0.00 C ATOM 974 C GLU B 68 26.739 3.983 0.369 1.00 0.00 C ATOM 975 O GLU B 68 27.729 4.425 0.954 1.00 0.00 O ATOM 976 CB GLU B 68 26.660 1.515 0.825 1.00 0.00 C ATOM 977 CG GLU B 68 25.913 0.398 1.564 1.00 0.00 C ATOM 978 CD GLU B 68 26.614 -0.951 1.414 1.00 0.00 C ATOM 979 OE1 GLU B 68 27.660 -0.999 0.727 1.00 0.00 O ATOM 980 OE2 GLU B 68 26.092 -1.932 1.995 1.00 0.00 O ATOM 0 H GLU B 68 24.458 1.915 -0.175 1.00 0.00 H new ATOM 0 HA GLU B 68 25.811 3.063 2.052 1.00 0.00 H new ATOM 0 HB2 GLU B 68 26.743 1.267 -0.233 1.00 0.00 H new ATOM 0 HB3 GLU B 68 27.675 1.601 1.213 1.00 0.00 H new ATOM 0 HG2 GLU B 68 25.835 0.651 2.621 1.00 0.00 H new ATOM 0 HG3 GLU B 68 24.896 0.324 1.178 1.00 0.00 H new ATOM 987 N ASP B 69 26.321 4.455 -0.809 1.00 0.00 N ATOM 988 CA ASP B 69 26.978 5.553 -1.507 1.00 0.00 C ATOM 989 C ASP B 69 26.021 6.704 -1.815 1.00 0.00 C ATOM 990 O ASP B 69 26.412 7.867 -1.759 1.00 0.00 O ATOM 991 CB ASP B 69 27.617 5.033 -2.800 1.00 0.00 C ATOM 992 CG ASP B 69 28.820 4.122 -2.563 1.00 0.00 C ATOM 993 OD1 ASP B 69 29.215 3.446 -3.539 1.00 0.00 O ATOM 994 OD2 ASP B 69 29.337 4.104 -1.424 1.00 0.00 O ATOM 0 H ASP B 69 25.512 4.081 -1.304 1.00 0.00 H new ATOM 0 HA ASP B 69 27.749 5.949 -0.846 1.00 0.00 H new ATOM 0 HB2 ASP B 69 26.867 4.488 -3.373 1.00 0.00 H new ATOM 0 HB3 ASP B 69 27.929 5.882 -3.409 1.00 0.00 H new ATOM 999 N ALA B 70 24.767 6.379 -2.137 1.00 0.00 N ATOM 1000 CA ALA B 70 23.778 7.362 -2.543 1.00 0.00 C ATOM 1001 C ALA B 70 23.090 8.023 -1.347 1.00 0.00 C ATOM 1002 O ALA B 70 22.348 8.987 -1.531 1.00 0.00 O ATOM 1003 CB ALA B 70 22.738 6.679 -3.424 1.00 0.00 C ATOM 0 H ALA B 70 24.415 5.422 -2.121 1.00 0.00 H new ATOM 0 HA ALA B 70 24.291 8.151 -3.093 1.00 0.00 H new ATOM 0 HB1 ALA B 70 21.990 7.408 -3.735 1.00 0.00 H new ATOM 0 HB2 ALA B 70 23.225 6.261 -4.305 1.00 0.00 H new ATOM 0 HB3 ALA B 70 22.254 5.879 -2.863 1.00 0.00 H new ATOM 1009 N VAL B 71 23.322 7.520 -0.132 1.00 0.00 N ATOM 1010 CA VAL B 71 22.643 8.029 1.054 1.00 0.00 C ATOM 1011 C VAL B 71 23.636 8.278 2.185 1.00 0.00 C ATOM 1012 O VAL B 71 23.595 9.325 2.826 1.00 0.00 O ATOM 1013 CB VAL B 71 21.549 7.039 1.488 1.00 0.00 C ATOM 1014 CG1 VAL B 71 20.759 7.568 2.684 1.00 0.00 C ATOM 1015 CG2 VAL B 71 20.576 6.778 0.337 1.00 0.00 C ATOM 0 H VAL B 71 23.976 6.760 0.053 1.00 0.00 H new ATOM 0 HA VAL B 71 22.177 8.984 0.812 1.00 0.00 H new ATOM 0 HB VAL B 71 22.048 6.113 1.773 1.00 0.00 H new ATOM 0 HG11 VAL B 71 19.994 6.843 2.964 1.00 0.00 H new ATOM 0 HG12 VAL B 71 21.434 7.726 3.525 1.00 0.00 H new ATOM 0 HG13 VAL B 71 20.284 8.512 2.417 1.00 0.00 H new ATOM 0 HG21 VAL B 71 19.809 6.075 0.662 1.00 0.00 H new ATOM 0 HG22 VAL B 71 20.107 7.715 0.038 1.00 0.00 H new ATOM 0 HG23 VAL B 71 21.118 6.357 -0.510 1.00 0.00 H new ATOM 1025 N SER B 72 24.530 7.321 2.434 1.00 0.00 N ATOM 1026 CA SER B 72 25.514 7.447 3.500 1.00 0.00 C ATOM 1027 C SER B 72 26.552 8.518 3.163 1.00 0.00 C ATOM 1028 O SER B 72 27.291 8.968 4.037 1.00 0.00 O ATOM 1029 CB SER B 72 26.182 6.089 3.717 1.00 0.00 C ATOM 1030 OG SER B 72 27.142 6.172 4.748 1.00 0.00 O ATOM 0 H SER B 72 24.590 6.449 1.908 1.00 0.00 H new ATOM 0 HA SER B 72 25.016 7.758 4.418 1.00 0.00 H new ATOM 0 HB2 SER B 72 25.429 5.343 3.972 1.00 0.00 H new ATOM 0 HB3 SER B 72 26.658 5.759 2.794 1.00 0.00 H new ATOM 0 HG SER B 72 27.560 5.295 4.877 1.00 0.00 H new ATOM 1036 N GLY B 73 26.611 8.932 1.890 1.00 0.00 N ATOM 1037 CA GLY B 73 27.585 9.911 1.429 1.00 0.00 C ATOM 1038 C GLY B 73 27.192 11.349 1.784 1.00 0.00 C ATOM 1039 O GLY B 73 27.973 12.270 1.546 1.00 0.00 O ATOM 0 H GLY B 73 25.984 8.595 1.159 1.00 0.00 H new ATOM 0 HA2 GLY B 73 28.557 9.685 1.868 1.00 0.00 H new ATOM 0 HA3 GLY B 73 27.696 9.825 0.348 1.00 0.00 H new ATOM 1043 N ARG B 74 25.992 11.555 2.344 1.00 0.00 N ATOM 1044 CA ARG B 74 25.512 12.895 2.680 1.00 0.00 C ATOM 1045 C ARG B 74 24.798 12.922 4.033 1.00 0.00 C ATOM 1046 O ARG B 74 24.235 13.949 4.405 1.00 0.00 O ATOM 1047 CB ARG B 74 24.585 13.408 1.575 1.00 0.00 C ATOM 1048 CG ARG B 74 25.292 13.419 0.218 1.00 0.00 C ATOM 1049 CD ARG B 74 24.407 14.083 -0.841 1.00 0.00 C ATOM 1050 NE ARG B 74 23.076 13.457 -0.912 1.00 0.00 N ATOM 1051 CZ ARG B 74 22.846 12.221 -1.359 1.00 0.00 C ATOM 1052 NH1 ARG B 74 23.841 11.467 -1.819 1.00 0.00 N ATOM 1053 NH2 ARG B 74 21.610 11.729 -1.351 1.00 0.00 N ATOM 0 H ARG B 74 25.338 10.807 2.573 1.00 0.00 H new ATOM 0 HA ARG B 74 26.379 13.551 2.758 1.00 0.00 H new ATOM 0 HB2 ARG B 74 23.697 12.778 1.520 1.00 0.00 H new ATOM 0 HB3 ARG B 74 24.246 14.415 1.819 1.00 0.00 H new ATOM 0 HG2 ARG B 74 26.238 13.955 0.298 1.00 0.00 H new ATOM 0 HG3 ARG B 74 25.528 12.399 -0.084 1.00 0.00 H new ATOM 0 HD2 ARG B 74 24.298 15.143 -0.611 1.00 0.00 H new ATOM 0 HD3 ARG B 74 24.893 14.016 -1.815 1.00 0.00 H new ATOM 0 HE ARG B 74 22.275 14.006 -0.598 1.00 0.00 H new ATOM 0 HH11 ARG B 74 24.793 11.832 -1.833 1.00 0.00 H new ATOM 0 HH12 ARG B 74 23.652 10.524 -2.158 1.00 0.00 H new ATOM 0 HH21 ARG B 74 20.837 12.297 -1.003 1.00 0.00 H new ATOM 0 HH22 ARG B 74 21.435 10.784 -1.693 1.00 0.00 H new ATOM 1067 N ASP B 75 24.811 11.808 4.766 1.00 0.00 N ATOM 1068 CA ASP B 75 24.145 11.729 6.055 1.00 0.00 C ATOM 1069 C ASP B 75 24.830 12.627 7.092 1.00 0.00 C ATOM 1070 O ASP B 75 26.029 12.484 7.337 1.00 0.00 O ATOM 1071 CB ASP B 75 24.101 10.265 6.512 1.00 0.00 C ATOM 1072 CG ASP B 75 23.562 10.107 7.934 1.00 0.00 C ATOM 1073 OD1 ASP B 75 23.876 9.064 8.547 1.00 0.00 O ATOM 1074 OD2 ASP B 75 22.846 11.025 8.394 1.00 0.00 O ATOM 0 H ASP B 75 25.279 10.947 4.482 1.00 0.00 H new ATOM 0 HA ASP B 75 23.123 12.095 5.954 1.00 0.00 H new ATOM 0 HB2 ASP B 75 23.477 9.693 5.826 1.00 0.00 H new ATOM 0 HB3 ASP B 75 25.104 9.842 6.459 1.00 0.00 H new ATOM 1079 N GLY B 76 24.073 13.549 7.698 1.00 0.00 N ATOM 1080 CA GLY B 76 24.598 14.427 8.732 1.00 0.00 C ATOM 1081 C GLY B 76 25.663 15.368 8.181 1.00 0.00 C ATOM 1082 O GLY B 76 26.617 15.693 8.886 1.00 0.00 O ATOM 0 H GLY B 76 23.088 13.701 7.483 1.00 0.00 H new ATOM 0 HA2 GLY B 76 23.784 15.010 9.163 1.00 0.00 H new ATOM 0 HA3 GLY B 76 25.022 13.828 9.538 1.00 0.00 H new ATOM 1086 N TYR B 77 25.517 15.809 6.928 1.00 0.00 N ATOM 1087 CA TYR B 77 26.540 16.596 6.267 1.00 0.00 C ATOM 1088 C TYR B 77 26.584 18.042 6.740 1.00 0.00 C ATOM 1089 O TYR B 77 25.543 18.665 6.923 1.00 0.00 O ATOM 1090 CB TYR B 77 26.438 16.477 4.746 1.00 0.00 C ATOM 1091 CG TYR B 77 27.279 17.494 4.002 1.00 0.00 C ATOM 1092 CD1 TYR B 77 28.671 17.323 3.927 1.00 0.00 C ATOM 1093 CD2 TYR B 77 26.671 18.599 3.390 1.00 0.00 C ATOM 1094 CE1 TYR B 77 29.459 18.264 3.246 1.00 0.00 C ATOM 1095 CE2 TYR B 77 27.453 19.543 2.708 1.00 0.00 C ATOM 1096 CZ TYR B 77 28.849 19.377 2.633 1.00 0.00 C ATOM 1097 OH TYR B 77 29.611 20.289 1.966 1.00 0.00 O ATOM 0 H TYR B 77 24.692 15.628 6.356 1.00 0.00 H new ATOM 0 HA TYR B 77 27.499 16.171 6.561 1.00 0.00 H new ATOM 0 HB2 TYR B 77 26.745 15.475 4.447 1.00 0.00 H new ATOM 0 HB3 TYR B 77 25.395 16.593 4.450 1.00 0.00 H new ATOM 0 HD1 TYR B 77 29.135 16.467 4.394 1.00 0.00 H new ATOM 0 HD2 TYR B 77 25.600 18.724 3.444 1.00 0.00 H new ATOM 0 HE1 TYR B 77 30.530 18.136 3.192 1.00 0.00 H new ATOM 0 HE2 TYR B 77 26.984 20.397 2.241 1.00 0.00 H new ATOM 0 HH TYR B 77 29.035 20.993 1.602 1.00 0.00 H new ATOM 1107 N ASP B 78 27.793 18.560 6.938 1.00 0.00 N ATOM 1108 CA ASP B 78 28.037 19.907 7.429 1.00 0.00 C ATOM 1109 C ASP B 78 27.577 20.973 6.430 1.00 0.00 C ATOM 1110 O ASP B 78 28.389 21.519 5.677 1.00 0.00 O ATOM 1111 CB ASP B 78 29.523 20.054 7.771 1.00 0.00 C ATOM 1112 CG ASP B 78 29.888 21.476 8.197 1.00 0.00 C ATOM 1113 OD1 ASP B 78 31.082 21.818 8.071 1.00 0.00 O ATOM 1114 OD2 ASP B 78 28.975 22.205 8.643 1.00 0.00 O ATOM 0 H ASP B 78 28.650 18.038 6.756 1.00 0.00 H new ATOM 0 HA ASP B 78 27.446 20.065 8.331 1.00 0.00 H new ATOM 0 HB2 ASP B 78 29.778 19.361 8.573 1.00 0.00 H new ATOM 0 HB3 ASP B 78 30.121 19.773 6.904 1.00 0.00 H new ATOM 1119 N TYR B 79 26.274 21.265 6.426 1.00 0.00 N ATOM 1120 CA TYR B 79 25.688 22.284 5.573 1.00 0.00 C ATOM 1121 C TYR B 79 25.818 23.644 6.261 1.00 0.00 C ATOM 1122 O TYR B 79 26.356 23.746 7.363 1.00 0.00 O ATOM 1123 CB TYR B 79 24.220 21.929 5.350 1.00 0.00 C ATOM 1124 CG TYR B 79 23.518 22.808 4.347 1.00 0.00 C ATOM 1125 CD1 TYR B 79 23.813 22.672 2.985 1.00 0.00 C ATOM 1126 CD2 TYR B 79 22.583 23.757 4.778 1.00 0.00 C ATOM 1127 CE1 TYR B 79 23.177 23.492 2.042 1.00 0.00 C ATOM 1128 CE2 TYR B 79 21.938 24.581 3.845 1.00 0.00 C ATOM 1129 CZ TYR B 79 22.234 24.451 2.472 1.00 0.00 C ATOM 1130 OH TYR B 79 21.613 25.251 1.560 1.00 0.00 O ATOM 0 H TYR B 79 25.596 20.792 7.023 1.00 0.00 H new ATOM 0 HA TYR B 79 26.199 22.333 4.611 1.00 0.00 H new ATOM 0 HB2 TYR B 79 24.155 20.893 5.017 1.00 0.00 H new ATOM 0 HB3 TYR B 79 23.694 21.992 6.303 1.00 0.00 H new ATOM 0 HD1 TYR B 79 24.532 21.934 2.660 1.00 0.00 H new ATOM 0 HD2 TYR B 79 22.359 23.854 5.830 1.00 0.00 H new ATOM 0 HE1 TYR B 79 23.407 23.391 0.992 1.00 0.00 H new ATOM 0 HE2 TYR B 79 21.217 25.313 4.177 1.00 0.00 H new ATOM 0 HH TYR B 79 20.994 25.854 2.022 1.00 0.00 H new ATOM 1140 N ASP B 80 25.324 24.689 5.603 1.00 0.00 N ATOM 1141 CA ASP B 80 25.365 26.043 6.117 1.00 0.00 C ATOM 1142 C ASP B 80 24.495 26.221 7.364 1.00 0.00 C ATOM 1143 O ASP B 80 23.306 26.519 7.260 1.00 0.00 O ATOM 1144 CB ASP B 80 24.959 27.017 5.012 1.00 0.00 C ATOM 1145 CG ASP B 80 26.000 27.102 3.892 1.00 0.00 C ATOM 1146 OD1 ASP B 80 27.047 26.424 4.011 1.00 0.00 O ATOM 1147 OD2 ASP B 80 25.730 27.851 2.929 1.00 0.00 O ATOM 0 H ASP B 80 24.880 24.612 4.688 1.00 0.00 H new ATOM 0 HA ASP B 80 26.387 26.257 6.429 1.00 0.00 H new ATOM 0 HB2 ASP B 80 24.003 26.706 4.592 1.00 0.00 H new ATOM 0 HB3 ASP B 80 24.811 28.008 5.442 1.00 0.00 H new ATOM 1152 N GLY B 81 25.098 26.038 8.542 1.00 0.00 N ATOM 1153 CA GLY B 81 24.420 26.222 9.816 1.00 0.00 C ATOM 1154 C GLY B 81 23.533 25.030 10.182 1.00 0.00 C ATOM 1155 O GLY B 81 22.933 25.026 11.256 1.00 0.00 O ATOM 0 H GLY B 81 26.074 25.757 8.633 1.00 0.00 H new ATOM 0 HA2 GLY B 81 25.161 26.374 10.600 1.00 0.00 H new ATOM 0 HA3 GLY B 81 23.811 27.125 9.773 1.00 0.00 H new ATOM 1159 N TYR B 82 23.451 24.023 9.309 1.00 0.00 N ATOM 1160 CA TYR B 82 22.621 22.846 9.533 1.00 0.00 C ATOM 1161 C TYR B 82 23.300 21.538 9.126 1.00 0.00 C ATOM 1162 O TYR B 82 24.409 21.546 8.602 1.00 0.00 O ATOM 1163 CB TYR B 82 21.273 23.019 8.830 1.00 0.00 C ATOM 1164 CG TYR B 82 20.381 24.057 9.468 1.00 0.00 C ATOM 1165 CD1 TYR B 82 19.405 23.672 10.401 1.00 0.00 C ATOM 1166 CD2 TYR B 82 20.536 25.406 9.125 1.00 0.00 C ATOM 1167 CE1 TYR B 82 18.575 24.638 10.987 1.00 0.00 C ATOM 1168 CE2 TYR B 82 19.713 26.379 9.710 1.00 0.00 C ATOM 1169 CZ TYR B 82 18.725 25.997 10.641 1.00 0.00 C ATOM 1170 OH TYR B 82 17.919 26.940 11.207 1.00 0.00 O ATOM 0 H TYR B 82 23.961 24.005 8.426 1.00 0.00 H new ATOM 0 HA TYR B 82 22.459 22.766 10.608 1.00 0.00 H new ATOM 0 HB2 TYR B 82 21.449 23.294 7.790 1.00 0.00 H new ATOM 0 HB3 TYR B 82 20.752 22.061 8.822 1.00 0.00 H new ATOM 0 HD1 TYR B 82 19.294 22.631 10.667 1.00 0.00 H new ATOM 0 HD2 TYR B 82 21.290 25.697 8.409 1.00 0.00 H new ATOM 0 HE1 TYR B 82 17.822 24.342 11.702 1.00 0.00 H new ATOM 0 HE2 TYR B 82 19.836 27.420 9.448 1.00 0.00 H new ATOM 0 HH TYR B 82 18.157 27.825 10.859 1.00 0.00 H new ATOM 1180 N ARG B 83 22.624 20.413 9.367 1.00 0.00 N ATOM 1181 CA ARG B 83 23.087 19.096 8.983 1.00 0.00 C ATOM 1182 C ARG B 83 22.017 18.409 8.142 1.00 0.00 C ATOM 1183 O ARG B 83 20.829 18.520 8.435 1.00 0.00 O ATOM 1184 CB ARG B 83 23.377 18.301 10.249 1.00 0.00 C ATOM 1185 CG ARG B 83 24.559 18.864 11.039 1.00 0.00 C ATOM 1186 CD ARG B 83 25.841 18.818 10.208 1.00 0.00 C ATOM 1187 NE ARG B 83 27.001 19.254 10.995 1.00 0.00 N ATOM 1188 CZ ARG B 83 28.129 18.548 11.132 1.00 0.00 C ATOM 1189 NH1 ARG B 83 28.272 17.360 10.551 1.00 0.00 N ATOM 1190 NH2 ARG B 83 29.130 19.034 11.859 1.00 0.00 N ATOM 0 H ARG B 83 21.723 20.401 9.844 1.00 0.00 H new ATOM 0 HA ARG B 83 23.997 19.165 8.387 1.00 0.00 H new ATOM 0 HB2 ARG B 83 22.490 18.297 10.883 1.00 0.00 H new ATOM 0 HB3 ARG B 83 23.583 17.264 9.983 1.00 0.00 H new ATOM 0 HG2 ARG B 83 24.348 19.892 11.333 1.00 0.00 H new ATOM 0 HG3 ARG B 83 24.695 18.291 11.956 1.00 0.00 H new ATOM 0 HD2 ARG B 83 26.006 17.804 9.845 1.00 0.00 H new ATOM 0 HD3 ARG B 83 25.732 19.457 9.332 1.00 0.00 H new ATOM 0 HE ARG B 83 26.943 20.155 11.469 1.00 0.00 H new ATOM 0 HH11 ARG B 83 27.514 16.972 9.989 1.00 0.00 H new ATOM 0 HH12 ARG B 83 29.140 16.837 10.667 1.00 0.00 H new ATOM 0 HH21 ARG B 83 29.037 19.944 12.311 1.00 0.00 H new ATOM 0 HH22 ARG B 83 29.991 18.497 11.965 1.00 0.00 H new ATOM 1204 N LEU B 84 22.439 17.696 7.098 1.00 0.00 N ATOM 1205 CA LEU B 84 21.533 16.941 6.246 1.00 0.00 C ATOM 1206 C LEU B 84 20.917 15.776 7.022 1.00 0.00 C ATOM 1207 O LEU B 84 21.520 15.262 7.963 1.00 0.00 O ATOM 1208 CB LEU B 84 22.298 16.403 5.030 1.00 0.00 C ATOM 1209 CG LEU B 84 22.388 17.400 3.867 1.00 0.00 C ATOM 1210 CD1 LEU B 84 21.011 17.631 3.243 1.00 0.00 C ATOM 1211 CD2 LEU B 84 22.966 18.739 4.317 1.00 0.00 C ATOM 0 H LEU B 84 23.419 17.628 6.823 1.00 0.00 H new ATOM 0 HA LEU B 84 20.733 17.602 5.912 1.00 0.00 H new ATOM 0 HB2 LEU B 84 23.306 16.127 5.339 1.00 0.00 H new ATOM 0 HB3 LEU B 84 21.812 15.493 4.680 1.00 0.00 H new ATOM 0 HG LEU B 84 23.056 16.964 3.125 1.00 0.00 H new ATOM 0 HD11 LEU B 84 21.099 18.341 2.421 1.00 0.00 H new ATOM 0 HD12 LEU B 84 20.619 16.686 2.866 1.00 0.00 H new ATOM 0 HD13 LEU B 84 20.332 18.031 3.997 1.00 0.00 H new ATOM 0 HD21 LEU B 84 23.014 19.419 3.466 1.00 0.00 H new ATOM 0 HD22 LEU B 84 22.329 19.169 5.090 1.00 0.00 H new ATOM 0 HD23 LEU B 84 23.968 18.587 4.717 1.00 0.00 H new ATOM 1223 N ARG B 85 19.712 15.360 6.617 1.00 0.00 N ATOM 1224 CA ARG B 85 19.063 14.161 7.135 1.00 0.00 C ATOM 1225 C ARG B 85 18.839 13.165 6.004 1.00 0.00 C ATOM 1226 O ARG B 85 17.741 12.635 5.846 1.00 0.00 O ATOM 1227 CB ARG B 85 17.747 14.490 7.855 1.00 0.00 C ATOM 1228 CG ARG B 85 17.949 15.207 9.187 1.00 0.00 C ATOM 1229 CD ARG B 85 18.200 16.702 8.987 1.00 0.00 C ATOM 1230 NE ARG B 85 18.133 17.415 10.267 1.00 0.00 N ATOM 1231 CZ ARG B 85 19.112 17.431 11.170 1.00 0.00 C ATOM 1232 NH1 ARG B 85 20.257 16.784 10.954 1.00 0.00 N ATOM 1233 NH2 ARG B 85 18.944 18.102 12.308 1.00 0.00 N ATOM 0 H ARG B 85 19.160 15.853 5.915 1.00 0.00 H new ATOM 0 HA ARG B 85 19.722 13.710 7.876 1.00 0.00 H new ATOM 0 HB2 ARG B 85 17.132 15.112 7.205 1.00 0.00 H new ATOM 0 HB3 ARG B 85 17.195 13.566 8.028 1.00 0.00 H new ATOM 0 HG2 ARG B 85 17.069 15.066 9.814 1.00 0.00 H new ATOM 0 HG3 ARG B 85 18.792 14.763 9.716 1.00 0.00 H new ATOM 0 HD2 ARG B 85 19.179 16.854 8.531 1.00 0.00 H new ATOM 0 HD3 ARG B 85 17.461 17.111 8.298 1.00 0.00 H new ATOM 0 HE ARG B 85 17.280 17.933 10.480 1.00 0.00 H new ATOM 0 HH11 ARG B 85 20.394 16.266 10.086 1.00 0.00 H new ATOM 0 HH12 ARG B 85 20.996 16.807 11.657 1.00 0.00 H new ATOM 0 HH21 ARG B 85 18.070 18.599 12.483 1.00 0.00 H new ATOM 0 HH22 ARG B 85 19.689 18.119 13.005 1.00 0.00 H new ATOM 1247 N VAL B 86 19.882 12.921 5.211 1.00 0.00 N ATOM 1248 CA VAL B 86 19.829 11.956 4.125 1.00 0.00 C ATOM 1249 C VAL B 86 19.920 10.562 4.736 1.00 0.00 C ATOM 1250 O VAL B 86 21.011 10.055 4.993 1.00 0.00 O ATOM 1251 CB VAL B 86 20.980 12.231 3.149 1.00 0.00 C ATOM 1252 CG1 VAL B 86 21.045 11.148 2.075 1.00 0.00 C ATOM 1253 CG2 VAL B 86 20.772 13.577 2.461 1.00 0.00 C ATOM 0 H VAL B 86 20.784 13.388 5.307 1.00 0.00 H new ATOM 0 HA VAL B 86 18.898 12.034 3.563 1.00 0.00 H new ATOM 0 HB VAL B 86 21.909 12.238 3.719 1.00 0.00 H new ATOM 0 HG11 VAL B 86 21.868 11.361 1.393 1.00 0.00 H new ATOM 0 HG12 VAL B 86 21.206 10.178 2.546 1.00 0.00 H new ATOM 0 HG13 VAL B 86 20.108 11.130 1.519 1.00 0.00 H new ATOM 0 HG21 VAL B 86 21.594 13.763 1.770 1.00 0.00 H new ATOM 0 HG22 VAL B 86 19.831 13.563 1.910 1.00 0.00 H new ATOM 0 HG23 VAL B 86 20.742 14.368 3.210 1.00 0.00 H new ATOM 1263 N GLU B 87 18.764 9.937 4.969 1.00 0.00 N ATOM 1264 CA GLU B 87 18.704 8.591 5.519 1.00 0.00 C ATOM 1265 C GLU B 87 17.414 7.893 5.105 1.00 0.00 C ATOM 1266 O GLU B 87 16.438 8.548 4.753 1.00 0.00 O ATOM 1267 CB GLU B 87 18.826 8.643 7.047 1.00 0.00 C ATOM 1268 CG GLU B 87 17.656 9.420 7.664 1.00 0.00 C ATOM 1269 CD GLU B 87 17.704 9.409 9.193 1.00 0.00 C ATOM 1270 OE1 GLU B 87 18.650 8.802 9.745 1.00 0.00 O ATOM 1271 OE2 GLU B 87 16.787 10.012 9.794 1.00 0.00 O ATOM 0 H GLU B 87 17.851 10.351 4.781 1.00 0.00 H new ATOM 0 HA GLU B 87 19.539 8.015 5.120 1.00 0.00 H new ATOM 0 HB2 GLU B 87 18.847 7.630 7.449 1.00 0.00 H new ATOM 0 HB3 GLU B 87 19.768 9.116 7.325 1.00 0.00 H new ATOM 0 HG2 GLU B 87 17.677 10.450 7.308 1.00 0.00 H new ATOM 0 HG3 GLU B 87 16.715 8.986 7.328 1.00 0.00 H new ATOM 1278 N PHE B 88 17.404 6.558 5.148 1.00 0.00 N ATOM 1279 CA PHE B 88 16.213 5.784 4.829 1.00 0.00 C ATOM 1280 C PHE B 88 15.281 5.556 6.019 1.00 0.00 C ATOM 1281 O PHE B 88 15.751 5.413 7.148 1.00 0.00 O ATOM 1282 CB PHE B 88 16.579 4.480 4.118 1.00 0.00 C ATOM 1283 CG PHE B 88 17.792 3.788 4.696 1.00 0.00 C ATOM 1284 CD1 PHE B 88 19.050 3.959 4.103 1.00 0.00 C ATOM 1285 CD2 PHE B 88 17.659 2.973 5.829 1.00 0.00 C ATOM 1286 CE1 PHE B 88 20.175 3.316 4.640 1.00 0.00 C ATOM 1287 CE2 PHE B 88 18.781 2.329 6.368 1.00 0.00 C ATOM 1288 CZ PHE B 88 20.040 2.502 5.774 1.00 0.00 C ATOM 0 H PHE B 88 18.214 5.993 5.403 1.00 0.00 H new ATOM 0 HA PHE B 88 15.632 6.394 4.137 1.00 0.00 H new ATOM 0 HB2 PHE B 88 15.728 3.800 4.165 1.00 0.00 H new ATOM 0 HB3 PHE B 88 16.761 4.691 3.064 1.00 0.00 H new ATOM 0 HD1 PHE B 88 19.154 4.587 3.231 1.00 0.00 H new ATOM 0 HD2 PHE B 88 16.690 2.841 6.287 1.00 0.00 H new ATOM 0 HE1 PHE B 88 21.144 3.448 4.181 1.00 0.00 H new ATOM 0 HE2 PHE B 88 18.676 1.700 7.240 1.00 0.00 H new ATOM 0 HZ PHE B 88 20.906 2.008 6.190 1.00 0.00 H new ATOM 1298 N PRO B 89 13.961 5.520 5.782 1.00 0.00 N ATOM 1299 CA PRO B 89 12.970 5.220 6.799 1.00 0.00 C ATOM 1300 C PRO B 89 13.069 3.758 7.237 1.00 0.00 C ATOM 1301 O PRO B 89 12.882 3.511 8.451 1.00 0.00 O ATOM 1302 CB PRO B 89 11.612 5.519 6.158 1.00 0.00 C ATOM 1303 CG PRO B 89 11.865 5.419 4.654 1.00 0.00 C ATOM 1304 CD PRO B 89 13.346 5.765 4.492 1.00 0.00 C ATOM 0 HA PRO B 89 13.120 5.818 7.698 1.00 0.00 H new ATOM 0 HB2 PRO B 89 10.855 4.804 6.481 1.00 0.00 H new ATOM 0 HB3 PRO B 89 11.253 6.510 6.435 1.00 0.00 H new ATOM 0 HG2 PRO B 89 11.648 4.418 4.280 1.00 0.00 H new ATOM 0 HG3 PRO B 89 11.232 6.111 4.098 1.00 0.00 H new ATOM 0 HD2 PRO B 89 13.807 5.151 3.718 1.00 0.00 H new ATOM 0 HD3 PRO B 89 13.472 6.805 4.192 1.00 0.00 H new