USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 516 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 15 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 57 SER OG : rot -109:sc= -1.61! USER MOD Single : A 11 HIS : no HD1:sc=-0.00809 X(o=-0.0081,f=-0.35) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 149:sc= -0.8 (180deg=-2.3!) USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= -0.0305 (180deg=-0.201) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 36 HIS : no HD1:sc= -0.39 X(o=-0.39,f=-0.097) USER MOD Single : A 38 ASN : amide:sc= -0.41 K(o=-0.41,f=-4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -145:sc= -0.0515 (180deg=-0.261) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -2.69! C(o=-2.7!,f=-5.2!) USER MOD Single : A 59 GLN : amide:sc= -2.11! C(o=-2.1!,f=-2.1!) USER MOD Single : A 60 GLN : amide:sc= -0.025 X(o=-0.025,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.566 X(o=-0.57,f=-0.92!) USER MOD Single : A 64 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.47) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N HIS A 11 -0.577 -14.668 -2.351 1.00 0.00 N ATOM 143 CA HIS A 11 -0.614 -14.251 -0.946 1.00 0.00 C ATOM 144 C HIS A 11 0.739 -14.415 -0.257 1.00 0.00 C ATOM 145 O HIS A 11 1.051 -15.476 0.284 1.00 0.00 O ATOM 146 CB HIS A 11 -1.695 -15.017 -0.171 1.00 0.00 C ATOM 147 CG HIS A 11 -1.825 -16.459 -0.556 1.00 0.00 C ATOM 148 ND1 HIS A 11 -1.104 -17.438 0.082 1.00 0.00 N ATOM 149 CD2 HIS A 11 -2.600 -17.030 -1.510 1.00 0.00 C ATOM 150 CE1 HIS A 11 -1.454 -18.576 -0.490 1.00 0.00 C ATOM 151 NE2 HIS A 11 -2.359 -18.379 -1.462 1.00 0.00 N ATOM 0 HA HIS A 11 -0.861 -13.189 -0.943 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.473 -14.956 0.895 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -2.655 -14.524 -0.326 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -3.277 -16.520 -2.179 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -1.062 -19.543 -0.211 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -2.785 -19.095 -2.051 1.00 0.00 H new ATOM 159 N ILE A 12 1.528 -13.348 -0.272 1.00 0.00 N ATOM 160 CA ILE A 12 2.844 -13.352 0.353 1.00 0.00 C ATOM 161 C ILE A 12 2.721 -13.459 1.872 1.00 0.00 C ATOM 162 O ILE A 12 1.697 -13.084 2.445 1.00 0.00 O ATOM 163 CB ILE A 12 3.624 -12.069 -0.003 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.926 -11.978 0.794 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.762 -10.845 0.251 1.00 0.00 C ATOM 166 CD1 ILE A 12 6.122 -11.611 -0.052 1.00 0.00 C ATOM 0 H ILE A 12 1.277 -12.463 -0.713 1.00 0.00 H new ATOM 0 HA ILE A 12 3.386 -14.218 -0.026 1.00 0.00 H new ATOM 0 HB ILE A 12 3.879 -12.108 -1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.808 -11.237 1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.114 -12.936 1.280 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.323 -9.946 -0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.864 -10.899 -0.364 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.480 -10.811 1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.011 -11.564 0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.265 -12.364 -0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.954 -10.640 -0.517 1.00 0.00 H new ATOM 178 N SER A 13 3.770 -13.966 2.516 1.00 0.00 N ATOM 179 CA SER A 13 3.778 -14.112 3.966 1.00 0.00 C ATOM 180 C SER A 13 3.458 -12.783 4.641 1.00 0.00 C ATOM 181 O SER A 13 2.743 -12.740 5.643 1.00 0.00 O ATOM 182 CB SER A 13 5.137 -14.625 4.444 1.00 0.00 C ATOM 183 OG SER A 13 5.385 -15.936 3.968 1.00 0.00 O ATOM 0 H SER A 13 4.624 -14.282 2.055 1.00 0.00 H new ATOM 0 HA SER A 13 3.011 -14.837 4.239 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.924 -13.955 4.098 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.169 -14.619 5.534 1.00 0.00 H new ATOM 0 HG SER A 13 6.261 -16.239 4.286 1.00 0.00 H new ATOM 189 N LYS A 14 3.989 -11.696 4.083 1.00 0.00 N ATOM 190 CA LYS A 14 3.752 -10.366 4.631 1.00 0.00 C ATOM 191 C LYS A 14 3.958 -9.285 3.575 1.00 0.00 C ATOM 192 O LYS A 14 4.831 -9.396 2.713 1.00 0.00 O ATOM 193 CB LYS A 14 4.672 -10.097 5.824 1.00 0.00 C ATOM 194 CG LYS A 14 5.947 -10.923 5.820 1.00 0.00 C ATOM 195 CD LYS A 14 6.660 -10.853 7.161 1.00 0.00 C ATOM 196 CE LYS A 14 7.586 -9.648 7.243 1.00 0.00 C ATOM 197 NZ LYS A 14 6.836 -8.361 7.205 1.00 0.00 N ATOM 0 H LYS A 14 4.584 -11.712 3.255 1.00 0.00 H new ATOM 0 HA LYS A 14 2.715 -10.334 4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.936 -9.040 5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.124 -10.298 6.745 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.709 -11.961 5.587 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.612 -10.564 5.034 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.923 -10.801 7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.236 -11.766 7.315 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.168 -9.701 8.163 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.294 -9.679 6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.348 -7.644 7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.747 -8.040 6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.889 -8.499 7.611 1.00 0.00 H new ATOM 211 N TYR A 15 3.149 -8.239 3.661 1.00 0.00 N ATOM 212 CA TYR A 15 3.224 -7.115 2.734 1.00 0.00 C ATOM 213 C TYR A 15 3.388 -5.813 3.506 1.00 0.00 C ATOM 214 O TYR A 15 2.591 -5.513 4.385 1.00 0.00 O ATOM 215 CB TYR A 15 1.949 -7.047 1.887 1.00 0.00 C ATOM 216 CG TYR A 15 2.180 -7.152 0.396 1.00 0.00 C ATOM 217 CD1 TYR A 15 3.212 -6.458 -0.221 1.00 0.00 C ATOM 218 CD2 TYR A 15 1.356 -7.944 -0.395 1.00 0.00 C ATOM 219 CE1 TYR A 15 3.416 -6.550 -1.585 1.00 0.00 C ATOM 220 CE2 TYR A 15 1.555 -8.043 -1.758 1.00 0.00 C ATOM 221 CZ TYR A 15 2.586 -7.344 -2.348 1.00 0.00 C ATOM 222 OH TYR A 15 2.787 -7.438 -3.706 1.00 0.00 O ATOM 0 H TYR A 15 2.424 -8.144 4.372 1.00 0.00 H new ATOM 0 HA TYR A 15 4.084 -7.258 2.080 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.280 -7.850 2.196 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.438 -6.108 2.097 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.865 -5.837 0.374 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.546 -8.491 0.064 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.222 -6.002 -2.051 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.907 -8.664 -2.358 1.00 0.00 H new ATOM 0 HH TYR A 15 2.117 -8.038 -4.095 1.00 0.00 H new ATOM 232 N ILE A 16 4.408 -5.029 3.177 1.00 0.00 N ATOM 233 CA ILE A 16 4.624 -3.763 3.866 1.00 0.00 C ATOM 234 C ILE A 16 4.389 -2.595 2.930 1.00 0.00 C ATOM 235 O ILE A 16 4.839 -2.598 1.784 1.00 0.00 O ATOM 236 CB ILE A 16 6.043 -3.647 4.454 1.00 0.00 C ATOM 237 CG1 ILE A 16 6.232 -4.694 5.562 1.00 0.00 C ATOM 238 CG2 ILE A 16 6.279 -2.224 4.972 1.00 0.00 C ATOM 239 CD1 ILE A 16 7.142 -4.258 6.693 1.00 0.00 C ATOM 0 H ILE A 16 5.089 -5.243 2.449 1.00 0.00 H new ATOM 0 HA ILE A 16 3.908 -3.737 4.687 1.00 0.00 H new ATOM 0 HB ILE A 16 6.782 -3.844 3.677 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.256 -4.947 5.976 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.636 -5.604 5.119 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.284 -2.150 5.386 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.172 -1.515 4.151 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.549 -1.993 5.748 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.217 -5.059 7.429 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.133 -4.035 6.297 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.731 -3.367 7.167 1.00 0.00 H new ATOM 251 N LEU A 17 3.679 -1.598 3.431 1.00 0.00 N ATOM 252 CA LEU A 17 3.375 -0.418 2.651 1.00 0.00 C ATOM 253 C LEU A 17 4.218 0.758 3.104 1.00 0.00 C ATOM 254 O LEU A 17 4.085 1.233 4.230 1.00 0.00 O ATOM 255 CB LEU A 17 1.901 -0.065 2.780 1.00 0.00 C ATOM 256 CG LEU A 17 1.279 0.520 1.511 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.258 -0.436 0.918 1.00 0.00 C ATOM 258 CD2 LEU A 17 0.642 1.869 1.802 1.00 0.00 C ATOM 0 H LEU A 17 3.303 -1.586 4.379 1.00 0.00 H new ATOM 0 HA LEU A 17 3.604 -0.635 1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.348 -0.961 3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.781 0.651 3.593 1.00 0.00 H new ATOM 0 HG LEU A 17 2.074 0.664 0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.170 0.002 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.745 -1.378 0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.534 -0.619 1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.205 2.270 0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.137 1.749 2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.401 2.557 2.173 1.00 0.00 H new ATOM 270 N ARG A 18 5.078 1.225 2.216 1.00 0.00 N ATOM 271 CA ARG A 18 5.943 2.351 2.514 1.00 0.00 C ATOM 272 C ARG A 18 5.516 3.569 1.711 1.00 0.00 C ATOM 273 O ARG A 18 5.245 3.466 0.522 1.00 0.00 O ATOM 274 CB ARG A 18 7.397 1.992 2.209 1.00 0.00 C ATOM 275 CG ARG A 18 7.697 0.510 2.369 1.00 0.00 C ATOM 276 CD ARG A 18 8.637 0.253 3.534 1.00 0.00 C ATOM 277 NE ARG A 18 9.875 1.019 3.418 1.00 0.00 N ATOM 278 CZ ARG A 18 10.619 1.381 4.459 1.00 0.00 C ATOM 279 NH1 ARG A 18 10.256 1.040 5.688 1.00 0.00 N ATOM 280 NH2 ARG A 18 11.729 2.082 4.271 1.00 0.00 N ATOM 0 H ARG A 18 5.195 0.839 1.279 1.00 0.00 H new ATOM 0 HA ARG A 18 5.859 2.589 3.574 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.632 2.295 1.189 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.051 2.561 2.870 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.766 -0.036 2.524 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.142 0.127 1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.137 0.512 4.467 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.872 -0.810 3.582 1.00 0.00 H new ATOM 0 HE ARG A 18 10.187 1.292 2.486 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.404 0.499 5.837 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.829 1.319 6.485 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.013 2.344 3.327 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.299 2.359 5.070 1.00 0.00 H new ATOM 294 N TRP A 19 5.445 4.721 2.363 1.00 0.00 N ATOM 295 CA TRP A 19 5.042 5.945 1.682 1.00 0.00 C ATOM 296 C TRP A 19 5.457 7.186 2.465 1.00 0.00 C ATOM 297 O TRP A 19 5.546 7.164 3.695 1.00 0.00 O ATOM 298 CB TRP A 19 3.528 5.946 1.432 1.00 0.00 C ATOM 299 CG TRP A 19 2.716 6.442 2.591 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.307 7.726 2.818 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.209 5.662 3.679 1.00 0.00 C ATOM 302 NE1 TRP A 19 1.582 7.792 3.983 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.507 6.537 4.530 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.280 4.308 4.018 1.00 0.00 C ATOM 305 CZ2 TRP A 19 0.882 6.101 5.696 1.00 0.00 C ATOM 306 CZ3 TRP A 19 1.659 3.876 5.174 1.00 0.00 C ATOM 307 CH2 TRP A 19 0.969 4.770 6.002 1.00 0.00 C ATOM 0 H TRP A 19 5.659 4.835 3.354 1.00 0.00 H new ATOM 0 HA TRP A 19 5.556 5.975 0.721 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.315 6.566 0.561 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.210 4.932 1.187 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.522 8.567 2.175 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.167 8.637 4.377 1.00 0.00 H new ATOM 0 HE3 TRP A 19 2.811 3.611 3.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.348 6.788 6.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 1.706 2.831 5.444 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.496 4.402 6.900 1.00 0.00 H new ATOM 318 N ARG A 20 5.705 8.264 1.729 1.00 0.00 N ATOM 319 CA ARG A 20 6.107 9.534 2.314 1.00 0.00 C ATOM 320 C ARG A 20 5.827 10.671 1.332 1.00 0.00 C ATOM 321 O ARG A 20 5.807 10.456 0.122 1.00 0.00 O ATOM 322 CB ARG A 20 7.593 9.509 2.675 1.00 0.00 C ATOM 323 CG ARG A 20 8.511 9.527 1.464 1.00 0.00 C ATOM 324 CD ARG A 20 9.272 10.839 1.353 1.00 0.00 C ATOM 325 NE ARG A 20 10.661 10.629 0.956 1.00 0.00 N ATOM 326 CZ ARG A 20 11.567 11.600 0.895 1.00 0.00 C ATOM 327 NH1 ARG A 20 11.234 12.846 1.205 1.00 0.00 N ATOM 328 NH2 ARG A 20 12.809 11.323 0.525 1.00 0.00 N ATOM 0 H ARG A 20 5.633 8.280 0.712 1.00 0.00 H new ATOM 0 HA ARG A 20 5.530 9.698 3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.820 10.368 3.306 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.801 8.616 3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.219 8.701 1.532 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.923 9.370 0.560 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.780 11.484 0.625 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.242 11.358 2.311 1.00 0.00 H new ATOM 0 HE ARG A 20 10.953 9.683 0.711 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.279 13.062 1.492 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.933 13.588 1.157 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.069 10.366 0.287 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.505 12.067 0.478 1.00 0.00 H new ATOM 342 N PRO A 21 5.596 11.893 1.835 1.00 0.00 N ATOM 343 CA PRO A 21 5.309 13.056 0.984 1.00 0.00 C ATOM 344 C PRO A 21 6.427 13.345 -0.010 1.00 0.00 C ATOM 345 O PRO A 21 7.555 13.649 0.376 1.00 0.00 O ATOM 346 CB PRO A 21 5.172 14.203 1.990 1.00 0.00 C ATOM 347 CG PRO A 21 4.799 13.527 3.258 1.00 0.00 C ATOM 348 CD PRO A 21 5.580 12.248 3.263 1.00 0.00 C ATOM 0 HA PRO A 21 4.423 12.901 0.368 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.105 14.757 2.093 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.410 14.917 1.679 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.047 14.144 4.122 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.727 13.335 3.302 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.586 12.386 3.660 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.100 11.479 3.869 1.00 0.00 H new ATOM 356 N LYS A 22 6.101 13.244 -1.296 1.00 0.00 N ATOM 357 CA LYS A 22 7.069 13.491 -2.357 1.00 0.00 C ATOM 358 C LYS A 22 7.469 14.964 -2.402 1.00 0.00 C ATOM 359 O LYS A 22 8.607 15.297 -2.732 1.00 0.00 O ATOM 360 CB LYS A 22 6.490 13.067 -3.709 1.00 0.00 C ATOM 361 CG LYS A 22 7.542 12.852 -4.786 1.00 0.00 C ATOM 362 CD LYS A 22 7.236 13.663 -6.036 1.00 0.00 C ATOM 363 CE LYS A 22 6.616 12.799 -7.123 1.00 0.00 C ATOM 364 NZ LYS A 22 7.595 11.831 -7.690 1.00 0.00 N ATOM 0 H LYS A 22 5.170 12.992 -1.628 1.00 0.00 H new ATOM 0 HA LYS A 22 7.960 12.900 -2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.923 12.145 -3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.787 13.828 -4.048 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.522 13.133 -4.400 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.592 11.793 -5.041 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.556 14.477 -5.785 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.154 14.117 -6.410 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.764 12.256 -6.713 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.234 13.437 -7.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.264 11.508 -8.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.521 12.293 -7.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.685 11.014 -7.052 1.00 0.00 H new ATOM 378 N ASN A 23 6.524 15.840 -2.073 1.00 0.00 N ATOM 379 CA ASN A 23 6.778 17.278 -2.079 1.00 0.00 C ATOM 380 C ASN A 23 7.228 17.764 -0.705 1.00 0.00 C ATOM 381 O ASN A 23 8.162 18.558 -0.592 1.00 0.00 O ATOM 382 CB ASN A 23 5.520 18.034 -2.513 1.00 0.00 C ATOM 383 CG ASN A 23 5.650 19.533 -2.317 1.00 0.00 C ATOM 384 OD1 ASN A 23 4.810 20.161 -1.674 1.00 0.00 O ATOM 385 ND2 ASN A 23 6.707 20.113 -2.875 1.00 0.00 N ATOM 0 H ASN A 23 5.576 15.580 -1.799 1.00 0.00 H new ATOM 0 HA ASN A 23 7.580 17.475 -2.790 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.317 17.824 -3.563 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.665 17.669 -1.944 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.847 21.119 -2.779 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.379 19.553 -3.400 1.00 0.00 H new ATOM 392 N SER A 24 6.554 17.286 0.337 1.00 0.00 N ATOM 393 CA SER A 24 6.881 17.677 1.703 1.00 0.00 C ATOM 394 C SER A 24 7.847 16.686 2.341 1.00 0.00 C ATOM 395 O SER A 24 8.465 15.873 1.653 1.00 0.00 O ATOM 396 CB SER A 24 5.607 17.776 2.545 1.00 0.00 C ATOM 397 OG SER A 24 5.484 19.057 3.138 1.00 0.00 O ATOM 0 H SER A 24 5.779 16.628 0.261 1.00 0.00 H new ATOM 0 HA SER A 24 7.365 18.653 1.666 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.737 17.577 1.919 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.621 17.012 3.322 1.00 0.00 H new ATOM 0 HG SER A 24 4.661 19.094 3.669 1.00 0.00 H new ATOM 403 N VAL A 25 7.971 16.760 3.662 1.00 0.00 N ATOM 404 CA VAL A 25 8.858 15.873 4.401 1.00 0.00 C ATOM 405 C VAL A 25 8.145 15.280 5.612 1.00 0.00 C ATOM 406 O VAL A 25 7.104 15.781 6.036 1.00 0.00 O ATOM 407 CB VAL A 25 10.126 16.610 4.874 1.00 0.00 C ATOM 408 CG1 VAL A 25 11.000 16.987 3.688 1.00 0.00 C ATOM 409 CG2 VAL A 25 9.755 17.843 5.684 1.00 0.00 C ATOM 0 H VAL A 25 7.466 17.428 4.243 1.00 0.00 H new ATOM 0 HA VAL A 25 9.149 15.072 3.721 1.00 0.00 H new ATOM 0 HB VAL A 25 10.696 15.938 5.516 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.890 17.506 4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.295 16.085 3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.442 17.640 3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.663 18.351 6.010 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.162 18.519 5.067 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.174 17.544 6.556 1.00 0.00 H new ATOM 419 N GLY A 26 8.709 14.210 6.161 1.00 0.00 N ATOM 420 CA GLY A 26 8.109 13.568 7.317 1.00 0.00 C ATOM 421 C GLY A 26 8.427 12.090 7.385 1.00 0.00 C ATOM 422 O GLY A 26 7.668 11.311 7.963 1.00 0.00 O ATOM 0 H GLY A 26 9.570 13.776 5.827 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.464 14.055 8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.028 13.703 7.284 1.00 0.00 H new ATOM 426 N ARG A 27 9.554 11.704 6.791 1.00 0.00 N ATOM 427 CA ARG A 27 9.983 10.309 6.780 1.00 0.00 C ATOM 428 C ARG A 27 8.945 9.418 6.105 1.00 0.00 C ATOM 429 O ARG A 27 7.906 9.894 5.647 1.00 0.00 O ATOM 430 CB ARG A 27 10.240 9.821 8.208 1.00 0.00 C ATOM 431 CG ARG A 27 11.670 9.365 8.446 1.00 0.00 C ATOM 432 CD ARG A 27 11.803 8.609 9.758 1.00 0.00 C ATOM 433 NE ARG A 27 11.637 7.169 9.581 1.00 0.00 N ATOM 434 CZ ARG A 27 11.628 6.297 10.585 1.00 0.00 C ATOM 435 NH1 ARG A 27 11.766 6.718 11.836 1.00 0.00 N ATOM 436 NH2 ARG A 27 11.479 5.003 10.339 1.00 0.00 N ATOM 0 H ARG A 27 10.188 12.341 6.309 1.00 0.00 H new ATOM 0 HA ARG A 27 10.909 10.248 6.208 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.002 10.624 8.906 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.563 8.996 8.429 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.991 8.727 7.623 1.00 0.00 H new ATOM 0 HG3 ARG A 27 12.332 10.231 8.455 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.782 8.810 10.194 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.058 8.975 10.464 1.00 0.00 H new ATOM 0 HE ARG A 27 11.521 6.811 8.633 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.879 7.713 12.030 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.759 6.047 12.604 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.371 4.675 9.379 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.472 4.335 11.110 1.00 0.00 H new ATOM 450 N TRP A 28 9.236 8.124 6.047 1.00 0.00 N ATOM 451 CA TRP A 28 8.334 7.161 5.428 1.00 0.00 C ATOM 452 C TRP A 28 7.395 6.548 6.464 1.00 0.00 C ATOM 453 O TRP A 28 7.450 6.886 7.647 1.00 0.00 O ATOM 454 CB TRP A 28 9.133 6.050 4.742 1.00 0.00 C ATOM 455 CG TRP A 28 9.810 6.483 3.477 1.00 0.00 C ATOM 456 CD1 TRP A 28 10.804 7.409 3.351 1.00 0.00 C ATOM 457 CD2 TRP A 28 9.544 5.997 2.156 1.00 0.00 C ATOM 458 NE1 TRP A 28 11.173 7.529 2.032 1.00 0.00 N ATOM 459 CE2 TRP A 28 10.413 6.672 1.279 1.00 0.00 C ATOM 460 CE3 TRP A 28 8.654 5.057 1.630 1.00 0.00 C ATOM 461 CZ2 TRP A 28 10.419 6.435 -0.094 1.00 0.00 C ATOM 462 CZ3 TRP A 28 8.660 4.823 0.267 1.00 0.00 C ATOM 463 CH2 TRP A 28 9.537 5.509 -0.581 1.00 0.00 C ATOM 0 H TRP A 28 10.092 7.717 6.422 1.00 0.00 H new ATOM 0 HA TRP A 28 7.738 7.690 4.685 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.886 5.675 5.436 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.464 5.219 4.519 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.238 7.966 4.168 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.895 8.154 1.672 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.973 4.523 2.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 11.095 6.963 -0.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 7.976 4.099 -0.150 1.00 0.00 H new ATOM 0 HH2 TRP A 28 9.517 5.303 -1.641 1.00 0.00 H new ATOM 474 N LYS A 29 6.544 5.635 6.008 1.00 0.00 N ATOM 475 CA LYS A 29 5.599 4.951 6.880 1.00 0.00 C ATOM 476 C LYS A 29 5.440 3.509 6.421 1.00 0.00 C ATOM 477 O LYS A 29 5.438 3.243 5.224 1.00 0.00 O ATOM 478 CB LYS A 29 4.245 5.664 6.870 1.00 0.00 C ATOM 479 CG LYS A 29 3.571 5.711 8.232 1.00 0.00 C ATOM 480 CD LYS A 29 3.307 7.140 8.674 1.00 0.00 C ATOM 481 CE LYS A 29 2.751 7.190 10.088 1.00 0.00 C ATOM 482 NZ LYS A 29 1.330 6.749 10.143 1.00 0.00 N ATOM 0 H LYS A 29 6.491 5.350 5.030 1.00 0.00 H new ATOM 0 HA LYS A 29 5.982 4.965 7.900 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.383 6.682 6.507 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.584 5.161 6.164 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.630 5.162 8.193 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.201 5.212 8.968 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.232 7.714 8.625 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.603 7.610 7.988 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.353 6.555 10.737 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.831 8.206 10.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.989 6.798 11.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.750 7.370 9.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.257 5.770 9.800 1.00 0.00 H new ATOM 496 N GLU A 30 5.329 2.579 7.365 1.00 0.00 N ATOM 497 CA GLU A 30 5.197 1.168 7.014 1.00 0.00 C ATOM 498 C GLU A 30 3.899 0.563 7.539 1.00 0.00 C ATOM 499 O GLU A 30 3.538 0.741 8.702 1.00 0.00 O ATOM 500 CB GLU A 30 6.387 0.371 7.558 1.00 0.00 C ATOM 501 CG GLU A 30 7.698 1.139 7.542 1.00 0.00 C ATOM 502 CD GLU A 30 8.558 0.847 8.756 1.00 0.00 C ATOM 503 OE1 GLU A 30 8.036 0.931 9.887 1.00 0.00 O ATOM 504 OE2 GLU A 30 9.755 0.534 8.575 1.00 0.00 O ATOM 0 H GLU A 30 5.328 2.773 8.366 1.00 0.00 H new ATOM 0 HA GLU A 30 5.178 1.111 5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.169 0.063 8.581 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.503 -0.539 6.969 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.253 0.885 6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.489 2.208 7.498 1.00 0.00 H new ATOM 511 N ALA A 31 3.217 -0.174 6.667 1.00 0.00 N ATOM 512 CA ALA A 31 1.970 -0.841 7.020 1.00 0.00 C ATOM 513 C ALA A 31 1.991 -2.279 6.513 1.00 0.00 C ATOM 514 O ALA A 31 1.966 -2.524 5.308 1.00 0.00 O ATOM 515 CB ALA A 31 0.780 -0.087 6.446 1.00 0.00 C ATOM 0 H ALA A 31 3.512 -0.324 5.702 1.00 0.00 H new ATOM 0 HA ALA A 31 1.871 -0.853 8.105 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.142 -0.600 6.720 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.764 0.927 6.846 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.864 -0.047 5.360 1.00 0.00 H new ATOM 521 N THR A 32 2.062 -3.226 7.440 1.00 0.00 N ATOM 522 CA THR A 32 2.117 -4.640 7.085 1.00 0.00 C ATOM 523 C THR A 32 0.737 -5.279 7.006 1.00 0.00 C ATOM 524 O THR A 32 -0.134 -5.028 7.839 1.00 0.00 O ATOM 525 CB THR A 32 2.977 -5.447 8.074 1.00 0.00 C ATOM 526 OG1 THR A 32 4.280 -4.862 8.187 1.00 0.00 O ATOM 527 CG2 THR A 32 3.103 -6.898 7.618 1.00 0.00 C ATOM 0 H THR A 32 2.083 -3.042 8.443 1.00 0.00 H new ATOM 0 HA THR A 32 2.574 -4.670 6.096 1.00 0.00 H new ATOM 0 HB THR A 32 2.488 -5.427 9.048 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.818 -5.382 8.820 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.715 -7.452 8.331 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.112 -7.349 7.563 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.572 -6.931 6.635 1.00 0.00 H new ATOM 535 N ILE A 33 0.567 -6.128 5.999 1.00 0.00 N ATOM 536 CA ILE A 33 -0.676 -6.847 5.782 1.00 0.00 C ATOM 537 C ILE A 33 -0.378 -8.279 5.344 1.00 0.00 C ATOM 538 O ILE A 33 0.057 -8.507 4.214 1.00 0.00 O ATOM 539 CB ILE A 33 -1.553 -6.163 4.711 1.00 0.00 C ATOM 540 CG1 ILE A 33 -0.775 -5.045 4.009 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.827 -5.616 5.338 1.00 0.00 C ATOM 542 CD1 ILE A 33 -1.364 -4.641 2.676 1.00 0.00 C ATOM 0 H ILE A 33 1.291 -6.335 5.311 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.224 -6.847 6.724 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.828 -6.908 3.964 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.742 -4.172 4.661 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.255 -5.370 3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.434 -5.137 4.570 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.390 -6.433 5.789 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.570 -4.886 6.105 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.761 -3.846 2.238 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.372 -5.501 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.384 -4.285 2.822 1.00 0.00 H new ATOM 554 N PRO A 34 -0.593 -9.267 6.231 1.00 0.00 N ATOM 555 CA PRO A 34 -0.336 -10.679 5.922 1.00 0.00 C ATOM 556 C PRO A 34 -1.171 -11.177 4.747 1.00 0.00 C ATOM 557 O PRO A 34 -2.288 -11.665 4.932 1.00 0.00 O ATOM 558 CB PRO A 34 -0.734 -11.412 7.210 1.00 0.00 C ATOM 559 CG PRO A 34 -1.613 -10.456 7.941 1.00 0.00 C ATOM 560 CD PRO A 34 -1.090 -9.091 7.605 1.00 0.00 C ATOM 0 HA PRO A 34 0.700 -10.845 5.627 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.259 -12.341 6.989 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.143 -11.674 7.802 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.653 -10.565 7.632 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.579 -10.635 9.016 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.871 -8.333 7.659 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.297 -8.782 8.286 1.00 0.00 H new ATOM 568 N GLY A 35 -0.624 -11.052 3.538 1.00 0.00 N ATOM 569 CA GLY A 35 -1.335 -11.493 2.349 1.00 0.00 C ATOM 570 C GLY A 35 -2.728 -10.902 2.254 1.00 0.00 C ATOM 571 O GLY A 35 -3.686 -11.606 1.933 1.00 0.00 O ATOM 0 H GLY A 35 0.298 -10.653 3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.764 -11.214 1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.405 -12.581 2.354 1.00 0.00 H new ATOM 575 N HIS A 36 -2.838 -9.607 2.539 1.00 0.00 N ATOM 576 CA HIS A 36 -4.122 -8.912 2.492 1.00 0.00 C ATOM 577 C HIS A 36 -5.129 -9.570 3.431 1.00 0.00 C ATOM 578 O HIS A 36 -5.913 -10.425 3.016 1.00 0.00 O ATOM 579 CB HIS A 36 -4.673 -8.896 1.063 1.00 0.00 C ATOM 580 CG HIS A 36 -5.748 -7.874 0.845 1.00 0.00 C ATOM 581 ND1 HIS A 36 -5.705 -7.006 -0.217 1.00 0.00 N ATOM 582 CD2 HIS A 36 -6.864 -7.625 1.575 1.00 0.00 C ATOM 583 CE1 HIS A 36 -6.785 -6.252 -0.114 1.00 0.00 C ATOM 584 NE2 HIS A 36 -7.519 -6.591 0.958 1.00 0.00 N ATOM 0 H HIS A 36 -2.051 -9.016 2.806 1.00 0.00 H new ATOM 0 HA HIS A 36 -3.961 -7.885 2.819 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.855 -8.704 0.369 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.068 -9.883 0.824 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.176 -8.142 2.470 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -7.045 -5.463 -0.804 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -8.395 -6.162 1.256 1.00 0.00 H new ATOM 592 N LEU A 37 -5.102 -9.165 4.696 1.00 0.00 N ATOM 593 CA LEU A 37 -6.013 -9.717 5.692 1.00 0.00 C ATOM 594 C LEU A 37 -7.384 -9.049 5.603 1.00 0.00 C ATOM 595 O LEU A 37 -8.409 -9.676 5.873 1.00 0.00 O ATOM 596 CB LEU A 37 -5.429 -9.550 7.100 1.00 0.00 C ATOM 597 CG LEU A 37 -5.806 -8.253 7.821 1.00 0.00 C ATOM 598 CD1 LEU A 37 -6.201 -8.542 9.260 1.00 0.00 C ATOM 599 CD2 LEU A 37 -4.656 -7.260 7.773 1.00 0.00 C ATOM 0 H LEU A 37 -4.461 -8.458 5.055 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.137 -10.781 5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.753 -10.392 7.711 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.342 -9.605 7.033 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.661 -7.811 7.310 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.466 -7.610 9.759 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.057 -9.217 9.274 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.364 -9.007 9.781 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.944 -6.345 8.291 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.781 -7.692 8.259 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.417 -7.030 6.735 1.00 0.00 H new ATOM 611 N ASN A 38 -7.393 -7.775 5.221 1.00 0.00 N ATOM 612 CA ASN A 38 -8.636 -7.022 5.096 1.00 0.00 C ATOM 613 C ASN A 38 -8.404 -5.715 4.342 1.00 0.00 C ATOM 614 O ASN A 38 -7.330 -5.491 3.784 1.00 0.00 O ATOM 615 CB ASN A 38 -9.225 -6.730 6.478 1.00 0.00 C ATOM 616 CG ASN A 38 -8.556 -5.552 7.157 1.00 0.00 C ATOM 617 OD1 ASN A 38 -7.339 -5.535 7.341 1.00 0.00 O ATOM 618 ND2 ASN A 38 -9.351 -4.558 7.534 1.00 0.00 N ATOM 0 H ASN A 38 -6.553 -7.243 4.993 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.344 -7.628 4.531 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.292 -6.531 6.380 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.123 -7.614 7.107 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.958 -3.738 7.996 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -10.355 -4.614 7.361 1.00 0.00 H new ATOM 625 N SER A 39 -9.421 -4.858 4.327 1.00 0.00 N ATOM 626 CA SER A 39 -9.329 -3.574 3.639 1.00 0.00 C ATOM 627 C SER A 39 -8.570 -2.552 4.481 1.00 0.00 C ATOM 628 O SER A 39 -8.987 -2.210 5.587 1.00 0.00 O ATOM 629 CB SER A 39 -10.728 -3.047 3.314 1.00 0.00 C ATOM 630 OG SER A 39 -10.742 -2.379 2.065 1.00 0.00 O ATOM 0 H SER A 39 -10.317 -5.029 4.783 1.00 0.00 H new ATOM 0 HA SER A 39 -8.779 -3.728 2.711 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.437 -3.875 3.296 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.055 -2.365 4.099 1.00 0.00 H new ATOM 0 HG SER A 39 -11.647 -2.053 1.879 1.00 0.00 H new ATOM 636 N TYR A 40 -7.455 -2.068 3.943 1.00 0.00 N ATOM 637 CA TYR A 40 -6.634 -1.082 4.636 1.00 0.00 C ATOM 638 C TYR A 40 -6.765 0.288 3.976 1.00 0.00 C ATOM 639 O TYR A 40 -6.550 0.430 2.772 1.00 0.00 O ATOM 640 CB TYR A 40 -5.169 -1.525 4.640 1.00 0.00 C ATOM 641 CG TYR A 40 -4.344 -0.895 5.738 1.00 0.00 C ATOM 642 CD1 TYR A 40 -3.942 0.432 5.655 1.00 0.00 C ATOM 643 CD2 TYR A 40 -3.966 -1.628 6.858 1.00 0.00 C ATOM 644 CE1 TYR A 40 -3.187 1.012 6.656 1.00 0.00 C ATOM 645 CE2 TYR A 40 -3.211 -1.054 7.862 1.00 0.00 C ATOM 646 CZ TYR A 40 -2.823 0.266 7.757 1.00 0.00 C ATOM 647 OH TYR A 40 -2.070 0.841 8.755 1.00 0.00 O ATOM 0 H TYR A 40 -7.099 -2.343 3.028 1.00 0.00 H new ATOM 0 HA TYR A 40 -6.985 -1.005 5.665 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.127 -2.609 4.744 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.722 -1.280 3.676 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.224 1.020 4.794 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.267 -2.662 6.944 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.883 2.045 6.577 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.925 -1.636 8.726 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.901 0.180 9.459 1.00 0.00 H new ATOM 657 N THR A 41 -7.122 1.292 4.772 1.00 0.00 N ATOM 658 CA THR A 41 -7.288 2.650 4.266 1.00 0.00 C ATOM 659 C THR A 41 -6.154 3.560 4.732 1.00 0.00 C ATOM 660 O THR A 41 -5.615 3.388 5.825 1.00 0.00 O ATOM 661 CB THR A 41 -8.634 3.255 4.710 1.00 0.00 C ATOM 662 OG1 THR A 41 -8.840 4.517 4.068 1.00 0.00 O ATOM 663 CG2 THR A 41 -8.677 3.435 6.221 1.00 0.00 C ATOM 0 H THR A 41 -7.302 1.190 5.771 1.00 0.00 H new ATOM 0 HA THR A 41 -7.268 2.583 3.178 1.00 0.00 H new ATOM 0 HB THR A 41 -9.428 2.567 4.420 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.698 4.894 4.354 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.637 3.863 6.509 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.551 2.467 6.706 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.874 4.103 6.531 1.00 0.00 H new ATOM 671 N ILE A 42 -5.801 4.529 3.893 1.00 0.00 N ATOM 672 CA ILE A 42 -4.735 5.471 4.214 1.00 0.00 C ATOM 673 C ILE A 42 -5.311 6.833 4.593 1.00 0.00 C ATOM 674 O ILE A 42 -6.247 7.319 3.958 1.00 0.00 O ATOM 675 CB ILE A 42 -3.754 5.631 3.032 1.00 0.00 C ATOM 676 CG1 ILE A 42 -2.895 4.374 2.892 1.00 0.00 C ATOM 677 CG2 ILE A 42 -2.874 6.860 3.215 1.00 0.00 C ATOM 678 CD1 ILE A 42 -3.005 3.711 1.537 1.00 0.00 C ATOM 0 H ILE A 42 -6.239 4.682 2.984 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.188 5.067 5.066 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.334 5.767 2.119 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.853 4.635 3.076 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.185 3.659 3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.193 6.949 2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.500 7.750 3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.298 6.762 4.135 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.368 2.827 1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.040 3.418 1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.686 4.409 0.763 1.00 0.00 H new ATOM 690 N LYS A 43 -4.747 7.436 5.638 1.00 0.00 N ATOM 691 CA LYS A 43 -5.202 8.739 6.116 1.00 0.00 C ATOM 692 C LYS A 43 -5.331 9.737 4.970 1.00 0.00 C ATOM 693 O LYS A 43 -4.685 9.595 3.932 1.00 0.00 O ATOM 694 CB LYS A 43 -4.238 9.284 7.172 1.00 0.00 C ATOM 695 CG LYS A 43 -4.915 10.157 8.218 1.00 0.00 C ATOM 696 CD LYS A 43 -5.288 9.359 9.457 1.00 0.00 C ATOM 697 CE LYS A 43 -6.593 8.600 9.266 1.00 0.00 C ATOM 698 NZ LYS A 43 -6.396 7.128 9.355 1.00 0.00 N ATOM 0 H LYS A 43 -3.972 7.041 6.171 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.187 8.603 6.563 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.747 8.448 7.670 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.458 9.863 6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.249 10.974 8.497 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.811 10.608 7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.489 8.656 9.691 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.380 10.032 10.309 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.311 8.917 10.022 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.021 8.851 8.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.308 6.647 9.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.730 6.822 8.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.012 6.885 10.290 1.00 0.00 H new ATOM 712 N GLY A 44 -6.176 10.745 5.169 1.00 0.00 N ATOM 713 CA GLY A 44 -6.388 11.755 4.149 1.00 0.00 C ATOM 714 C GLY A 44 -5.112 12.480 3.770 1.00 0.00 C ATOM 715 O GLY A 44 -4.389 12.975 4.636 1.00 0.00 O ATOM 0 H GLY A 44 -6.719 10.880 6.022 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.812 11.286 3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.120 12.479 4.507 1.00 0.00 H new ATOM 719 N LEU A 45 -4.839 12.546 2.471 1.00 0.00 N ATOM 720 CA LEU A 45 -3.653 13.212 1.967 1.00 0.00 C ATOM 721 C LEU A 45 -3.817 14.732 2.047 1.00 0.00 C ATOM 722 O LEU A 45 -4.305 15.252 3.050 1.00 0.00 O ATOM 723 CB LEU A 45 -3.388 12.752 0.530 1.00 0.00 C ATOM 724 CG LEU A 45 -2.941 11.294 0.380 1.00 0.00 C ATOM 725 CD1 LEU A 45 -1.875 10.950 1.408 1.00 0.00 C ATOM 726 CD2 LEU A 45 -4.129 10.352 0.505 1.00 0.00 C ATOM 0 H LEU A 45 -5.432 12.141 1.746 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.794 12.945 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.297 12.898 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.623 13.396 0.095 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.510 11.171 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.572 9.910 1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.011 11.599 1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.277 11.093 2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.790 9.322 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.593 10.479 1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.857 10.579 -0.274 1.00 0.00 H new ATOM 738 N LYS A 46 -3.411 15.443 0.998 1.00 0.00 N ATOM 739 CA LYS A 46 -3.524 16.897 0.982 1.00 0.00 C ATOM 740 C LYS A 46 -3.635 17.430 -0.445 1.00 0.00 C ATOM 741 O LYS A 46 -2.890 17.011 -1.332 1.00 0.00 O ATOM 742 CB LYS A 46 -2.321 17.528 1.685 1.00 0.00 C ATOM 743 CG LYS A 46 -2.335 19.049 1.674 1.00 0.00 C ATOM 744 CD LYS A 46 -1.314 19.635 2.631 1.00 0.00 C ATOM 745 CE LYS A 46 -1.564 19.203 4.069 1.00 0.00 C ATOM 746 NZ LYS A 46 -2.974 19.440 4.487 1.00 0.00 N ATOM 0 H LYS A 46 -3.004 15.039 0.155 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.435 17.168 1.516 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.292 17.181 2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.407 17.178 1.206 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.132 19.406 0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.330 19.404 1.943 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.314 19.325 2.328 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.342 20.723 2.569 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.328 18.144 4.176 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.893 19.748 4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.998 19.712 5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.383 20.204 3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.527 18.570 4.351 1.00 0.00 H new ATOM 760 N PRO A 47 -4.574 18.365 -0.686 1.00 0.00 N ATOM 761 CA PRO A 47 -4.782 18.955 -2.012 1.00 0.00 C ATOM 762 C PRO A 47 -3.580 19.771 -2.476 1.00 0.00 C ATOM 763 O PRO A 47 -3.227 20.777 -1.859 1.00 0.00 O ATOM 764 CB PRO A 47 -6.003 19.867 -1.827 1.00 0.00 C ATOM 765 CG PRO A 47 -6.626 19.445 -0.539 1.00 0.00 C ATOM 766 CD PRO A 47 -5.506 18.919 0.310 1.00 0.00 C ATOM 0 HA PRO A 47 -4.924 18.188 -2.773 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.708 20.916 -1.795 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.703 19.758 -2.655 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.123 20.284 -0.053 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.383 18.679 -0.705 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.043 19.708 0.903 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.851 18.157 1.009 1.00 0.00 H new ATOM 774 N GLY A 48 -2.959 19.336 -3.567 1.00 0.00 N ATOM 775 CA GLY A 48 -1.808 20.041 -4.098 1.00 0.00 C ATOM 776 C GLY A 48 -0.494 19.355 -3.774 1.00 0.00 C ATOM 777 O GLY A 48 0.553 19.736 -4.296 1.00 0.00 O ATOM 0 H GLY A 48 -3.233 18.506 -4.093 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.909 20.129 -5.180 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.792 21.054 -3.696 1.00 0.00 H new ATOM 781 N VAL A 49 -0.547 18.344 -2.913 1.00 0.00 N ATOM 782 CA VAL A 49 0.653 17.610 -2.525 1.00 0.00 C ATOM 783 C VAL A 49 0.552 16.138 -2.910 1.00 0.00 C ATOM 784 O VAL A 49 -0.449 15.480 -2.624 1.00 0.00 O ATOM 785 CB VAL A 49 0.914 17.708 -1.010 1.00 0.00 C ATOM 786 CG1 VAL A 49 2.379 17.442 -0.703 1.00 0.00 C ATOM 787 CG2 VAL A 49 0.490 19.068 -0.476 1.00 0.00 C ATOM 0 H VAL A 49 -1.405 18.015 -2.471 1.00 0.00 H new ATOM 0 HA VAL A 49 1.483 18.070 -3.062 1.00 0.00 H new ATOM 0 HB VAL A 49 0.315 16.947 -0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.545 17.515 0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.646 16.442 -1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.998 18.178 -1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.683 19.115 0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.057 19.850 -0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.574 19.215 -0.659 1.00 0.00 H new ATOM 797 N VAL A 50 1.598 15.627 -3.550 1.00 0.00 N ATOM 798 CA VAL A 50 1.630 14.229 -3.965 1.00 0.00 C ATOM 799 C VAL A 50 2.446 13.396 -2.984 1.00 0.00 C ATOM 800 O VAL A 50 3.524 13.806 -2.552 1.00 0.00 O ATOM 801 CB VAL A 50 2.222 14.071 -5.382 1.00 0.00 C ATOM 802 CG1 VAL A 50 2.549 12.613 -5.675 1.00 0.00 C ATOM 803 CG2 VAL A 50 1.263 14.623 -6.425 1.00 0.00 C ATOM 0 H VAL A 50 2.434 16.159 -3.793 1.00 0.00 H new ATOM 0 HA VAL A 50 0.600 13.874 -3.977 1.00 0.00 H new ATOM 0 HB VAL A 50 3.149 14.642 -5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.965 12.528 -6.679 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.277 12.250 -4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.640 12.015 -5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.697 14.503 -7.418 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.319 14.081 -6.374 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.085 15.681 -6.232 1.00 0.00 H new ATOM 813 N TYR A 51 1.928 12.223 -2.639 1.00 0.00 N ATOM 814 CA TYR A 51 2.611 11.333 -1.710 1.00 0.00 C ATOM 815 C TYR A 51 3.221 10.150 -2.452 1.00 0.00 C ATOM 816 O TYR A 51 2.507 9.364 -3.076 1.00 0.00 O ATOM 817 CB TYR A 51 1.640 10.836 -0.640 1.00 0.00 C ATOM 818 CG TYR A 51 1.315 11.870 0.415 1.00 0.00 C ATOM 819 CD1 TYR A 51 0.577 13.005 0.100 1.00 0.00 C ATOM 820 CD2 TYR A 51 1.743 11.710 1.726 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.276 13.950 1.062 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.446 12.651 2.694 1.00 0.00 C ATOM 823 CZ TYR A 51 0.713 13.769 2.357 1.00 0.00 C ATOM 824 OH TYR A 51 0.414 14.707 3.318 1.00 0.00 O ATOM 0 H TYR A 51 1.038 11.867 -2.989 1.00 0.00 H new ATOM 0 HA TYR A 51 3.413 11.892 -1.227 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.715 10.518 -1.121 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.066 9.957 -0.156 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.233 13.151 -0.913 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.318 10.836 1.994 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.299 14.826 0.801 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.786 12.511 3.709 1.00 0.00 H new ATOM 0 HH TYR A 51 0.795 14.428 4.177 1.00 0.00 H new ATOM 834 N GLU A 52 4.540 10.024 -2.374 1.00 0.00 N ATOM 835 CA GLU A 52 5.233 8.924 -3.039 1.00 0.00 C ATOM 836 C GLU A 52 5.121 7.656 -2.204 1.00 0.00 C ATOM 837 O GLU A 52 5.238 7.700 -0.981 1.00 0.00 O ATOM 838 CB GLU A 52 6.703 9.280 -3.288 1.00 0.00 C ATOM 839 CG GLU A 52 7.544 9.356 -2.023 1.00 0.00 C ATOM 840 CD GLU A 52 9.006 9.638 -2.315 1.00 0.00 C ATOM 841 OE1 GLU A 52 9.285 10.422 -3.247 1.00 0.00 O ATOM 842 OE2 GLU A 52 9.871 9.076 -1.611 1.00 0.00 O ATOM 0 H GLU A 52 5.148 10.663 -1.862 1.00 0.00 H new ATOM 0 HA GLU A 52 4.761 8.749 -4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.138 8.537 -3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.752 10.240 -3.803 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.149 10.138 -1.374 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.460 8.416 -1.478 1.00 0.00 H new ATOM 849 N GLY A 53 4.874 6.526 -2.860 1.00 0.00 N ATOM 850 CA GLY A 53 4.733 5.283 -2.130 1.00 0.00 C ATOM 851 C GLY A 53 5.337 4.087 -2.835 1.00 0.00 C ATOM 852 O GLY A 53 5.335 4.001 -4.061 1.00 0.00 O ATOM 0 H GLY A 53 4.770 6.450 -3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.203 5.392 -1.152 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.674 5.093 -1.956 1.00 0.00 H new ATOM 856 N GLN A 54 5.838 3.156 -2.037 1.00 0.00 N ATOM 857 CA GLN A 54 6.437 1.928 -2.529 1.00 0.00 C ATOM 858 C GLN A 54 5.880 0.745 -1.735 1.00 0.00 C ATOM 859 O GLN A 54 5.511 0.898 -0.572 1.00 0.00 O ATOM 860 CB GLN A 54 7.961 2.001 -2.400 1.00 0.00 C ATOM 861 CG GLN A 54 8.621 0.661 -2.140 1.00 0.00 C ATOM 862 CD GLN A 54 10.125 0.771 -1.980 1.00 0.00 C ATOM 863 OE1 GLN A 54 10.677 0.433 -0.933 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.798 1.249 -3.021 1.00 0.00 N ATOM 0 H GLN A 54 5.839 3.234 -1.020 1.00 0.00 H new ATOM 0 HA GLN A 54 6.192 1.794 -3.583 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.373 2.426 -3.315 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.215 2.683 -1.589 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.195 0.220 -1.239 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.396 -0.016 -2.964 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.301 1.517 -3.870 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.812 1.348 -2.971 1.00 0.00 H new ATOM 873 N LEU A 55 5.808 -0.424 -2.362 1.00 0.00 N ATOM 874 CA LEU A 55 5.277 -1.608 -1.693 1.00 0.00 C ATOM 875 C LEU A 55 6.277 -2.759 -1.712 1.00 0.00 C ATOM 876 O LEU A 55 6.537 -3.350 -2.760 1.00 0.00 O ATOM 877 CB LEU A 55 3.970 -2.041 -2.360 1.00 0.00 C ATOM 878 CG LEU A 55 3.184 -3.131 -1.630 1.00 0.00 C ATOM 879 CD1 LEU A 55 2.687 -2.627 -0.285 1.00 0.00 C ATOM 880 CD2 LEU A 55 2.016 -3.603 -2.485 1.00 0.00 C ATOM 0 H LEU A 55 6.108 -0.578 -3.325 1.00 0.00 H new ATOM 0 HA LEU A 55 5.087 -1.347 -0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.330 -1.165 -2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.196 -2.394 -3.366 1.00 0.00 H new ATOM 0 HG LEU A 55 3.851 -3.975 -1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.131 -3.418 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.537 -2.334 0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.036 -1.766 -0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.466 -4.379 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.352 -2.763 -2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.393 -4.006 -3.425 1.00 0.00 H new ATOM 892 N ILE A 56 6.824 -3.083 -0.542 1.00 0.00 N ATOM 893 CA ILE A 56 7.781 -4.176 -0.427 1.00 0.00 C ATOM 894 C ILE A 56 7.094 -5.451 0.044 1.00 0.00 C ATOM 895 O ILE A 56 6.243 -5.417 0.933 1.00 0.00 O ATOM 896 CB ILE A 56 8.937 -3.846 0.540 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.708 -2.622 0.058 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.879 -5.031 0.656 1.00 0.00 C ATOM 899 CD1 ILE A 56 10.070 -1.660 1.166 1.00 0.00 C ATOM 0 H ILE A 56 6.620 -2.605 0.336 1.00 0.00 H new ATOM 0 HA ILE A 56 8.198 -4.323 -1.423 1.00 0.00 H new ATOM 0 HB ILE A 56 8.511 -3.629 1.520 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.621 -2.950 -0.439 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.110 -2.097 -0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.690 -4.785 1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.333 -5.894 1.036 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.291 -5.265 -0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.617 -0.814 0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.161 -1.302 1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.694 -2.169 1.900 1.00 0.00 H new ATOM 911 N SER A 57 7.468 -6.573 -0.557 1.00 0.00 N ATOM 912 CA SER A 57 6.892 -7.859 -0.200 1.00 0.00 C ATOM 913 C SER A 57 7.948 -8.762 0.425 1.00 0.00 C ATOM 914 O SER A 57 8.975 -9.054 -0.185 1.00 0.00 O ATOM 915 CB SER A 57 6.290 -8.528 -1.434 1.00 0.00 C ATOM 916 OG SER A 57 5.998 -7.573 -2.439 1.00 0.00 O ATOM 0 H SER A 57 8.170 -6.616 -1.296 1.00 0.00 H new ATOM 0 HA SER A 57 6.101 -7.693 0.532 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.985 -9.271 -1.825 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.379 -9.059 -1.156 1.00 0.00 H new ATOM 0 HG SER A 57 5.027 -7.462 -2.512 1.00 0.00 H new ATOM 922 N ILE A 58 7.683 -9.196 1.648 1.00 0.00 N ATOM 923 CA ILE A 58 8.606 -10.062 2.374 1.00 0.00 C ATOM 924 C ILE A 58 8.024 -11.458 2.551 1.00 0.00 C ATOM 925 O ILE A 58 6.926 -11.621 3.083 1.00 0.00 O ATOM 926 CB ILE A 58 8.951 -9.483 3.760 1.00 0.00 C ATOM 927 CG1 ILE A 58 9.430 -8.036 3.628 1.00 0.00 C ATOM 928 CG2 ILE A 58 10.010 -10.337 4.442 1.00 0.00 C ATOM 929 CD1 ILE A 58 8.576 -7.046 4.388 1.00 0.00 C ATOM 0 H ILE A 58 6.833 -8.963 2.162 1.00 0.00 H new ATOM 0 HA ILE A 58 9.516 -10.122 1.778 1.00 0.00 H new ATOM 0 HB ILE A 58 8.052 -9.493 4.376 1.00 0.00 H new ATOM 0 HG12 ILE A 58 10.457 -7.968 3.986 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.441 -7.760 2.574 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.243 -9.915 5.420 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.634 -11.353 4.565 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.912 -10.355 3.830 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.974 -6.041 4.250 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.553 -7.086 4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 58 8.585 -7.297 5.449 1.00 0.00 H new ATOM 941 N GLN A 59 8.766 -12.461 2.101 1.00 0.00 N ATOM 942 CA GLN A 59 8.325 -13.846 2.210 1.00 0.00 C ATOM 943 C GLN A 59 9.250 -14.637 3.127 1.00 0.00 C ATOM 944 O GLN A 59 10.236 -14.105 3.639 1.00 0.00 O ATOM 945 CB GLN A 59 8.271 -14.501 0.829 1.00 0.00 C ATOM 946 CG GLN A 59 8.981 -13.705 -0.255 1.00 0.00 C ATOM 947 CD GLN A 59 8.741 -14.267 -1.643 1.00 0.00 C ATOM 948 OE1 GLN A 59 8.477 -13.524 -2.588 1.00 0.00 O ATOM 949 NE2 GLN A 59 8.831 -15.585 -1.770 1.00 0.00 N ATOM 0 H GLN A 59 9.676 -12.342 1.657 1.00 0.00 H new ATOM 0 HA GLN A 59 7.324 -13.849 2.641 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.718 -15.493 0.890 1.00 0.00 H new ATOM 0 HB3 GLN A 59 7.228 -14.638 0.542 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.641 -12.670 -0.222 1.00 0.00 H new ATOM 0 HG3 GLN A 59 10.052 -13.695 -0.051 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.052 -16.162 -0.958 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.679 -16.021 -2.679 1.00 0.00 H new ATOM 958 N GLN A 60 8.927 -15.909 3.330 1.00 0.00 N ATOM 959 CA GLN A 60 9.731 -16.774 4.184 1.00 0.00 C ATOM 960 C GLN A 60 11.100 -17.033 3.562 1.00 0.00 C ATOM 961 O GLN A 60 12.016 -17.508 4.232 1.00 0.00 O ATOM 962 CB GLN A 60 9.009 -18.100 4.432 1.00 0.00 C ATOM 963 CG GLN A 60 8.440 -18.730 3.171 1.00 0.00 C ATOM 964 CD GLN A 60 7.994 -20.163 3.388 1.00 0.00 C ATOM 965 OE1 GLN A 60 6.810 -20.481 3.270 1.00 0.00 O ATOM 966 NE2 GLN A 60 8.941 -21.036 3.712 1.00 0.00 N ATOM 0 H GLN A 60 8.114 -16.364 2.915 1.00 0.00 H new ATOM 0 HA GLN A 60 9.876 -16.266 5.138 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.703 -18.800 4.896 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.199 -17.935 5.143 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.593 -18.138 2.823 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.193 -18.703 2.383 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.910 -20.729 3.799 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.700 -22.014 3.874 1.00 0.00 H new ATOM 975 N TYR A 61 11.230 -16.715 2.278 1.00 0.00 N ATOM 976 CA TYR A 61 12.486 -16.911 1.565 1.00 0.00 C ATOM 977 C TYR A 61 13.245 -15.595 1.424 1.00 0.00 C ATOM 978 O TYR A 61 14.370 -15.566 0.926 1.00 0.00 O ATOM 979 CB TYR A 61 12.225 -17.514 0.183 1.00 0.00 C ATOM 980 CG TYR A 61 12.450 -19.009 0.125 1.00 0.00 C ATOM 981 CD1 TYR A 61 11.586 -19.885 0.770 1.00 0.00 C ATOM 982 CD2 TYR A 61 13.526 -19.542 -0.571 1.00 0.00 C ATOM 983 CE1 TYR A 61 11.789 -21.251 0.722 1.00 0.00 C ATOM 984 CE2 TYR A 61 13.736 -20.907 -0.624 1.00 0.00 C ATOM 985 CZ TYR A 61 12.865 -21.758 0.024 1.00 0.00 C ATOM 986 OH TYR A 61 13.071 -23.117 -0.026 1.00 0.00 O ATOM 0 H TYR A 61 10.480 -16.320 1.710 1.00 0.00 H new ATOM 0 HA TYR A 61 13.098 -17.601 2.145 1.00 0.00 H new ATOM 0 HB2 TYR A 61 11.198 -17.297 -0.111 1.00 0.00 H new ATOM 0 HB3 TYR A 61 12.874 -17.028 -0.545 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.742 -19.492 1.318 1.00 0.00 H new ATOM 0 HD2 TYR A 61 14.210 -18.879 -1.080 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.108 -21.919 1.229 1.00 0.00 H new ATOM 0 HE2 TYR A 61 14.578 -21.306 -1.170 1.00 0.00 H new ATOM 0 HH TYR A 61 13.871 -23.307 -0.559 1.00 0.00 H new ATOM 996 N GLY A 62 12.620 -14.508 1.870 1.00 0.00 N ATOM 997 CA GLY A 62 13.248 -13.201 1.789 1.00 0.00 C ATOM 998 C GLY A 62 13.588 -12.803 0.364 1.00 0.00 C ATOM 999 O GLY A 62 14.760 -12.647 0.022 1.00 0.00 O ATOM 0 H GLY A 62 11.689 -14.510 2.286 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.582 -12.455 2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.158 -13.202 2.389 1.00 0.00 H new ATOM 1003 N HIS A 63 12.562 -12.639 -0.466 1.00 0.00 N ATOM 1004 CA HIS A 63 12.759 -12.257 -1.860 1.00 0.00 C ATOM 1005 C HIS A 63 12.758 -10.741 -2.013 1.00 0.00 C ATOM 1006 O HIS A 63 13.483 -10.189 -2.841 1.00 0.00 O ATOM 1007 CB HIS A 63 11.665 -12.866 -2.738 1.00 0.00 C ATOM 1008 CG HIS A 63 12.095 -14.117 -3.440 1.00 0.00 C ATOM 1009 ND1 HIS A 63 13.422 -14.401 -3.649 1.00 0.00 N ATOM 1010 CD2 HIS A 63 11.342 -15.119 -3.957 1.00 0.00 C ATOM 1011 CE1 HIS A 63 13.450 -15.559 -4.282 1.00 0.00 C ATOM 1012 NE2 HIS A 63 12.213 -16.034 -4.492 1.00 0.00 N ATOM 0 H HIS A 63 11.586 -12.765 -0.197 1.00 0.00 H new ATOM 0 HA HIS A 63 13.729 -12.638 -2.180 1.00 0.00 H new ATOM 0 HB2 HIS A 63 10.794 -13.085 -2.121 1.00 0.00 H new ATOM 0 HB3 HIS A 63 11.353 -12.131 -3.480 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.264 -15.184 -3.949 1.00 0.00 H new ATOM 0 HE1 HIS A 63 14.355 -16.061 -4.592 1.00 0.00 H new ATOM 0 HE2 HIS A 63 11.968 -16.907 -4.959 1.00 0.00 H new ATOM 1020 N GLN A 64 11.938 -10.076 -1.205 1.00 0.00 N ATOM 1021 CA GLN A 64 11.833 -8.622 -1.235 1.00 0.00 C ATOM 1022 C GLN A 64 11.349 -8.125 -2.596 1.00 0.00 C ATOM 1023 O GLN A 64 12.149 -7.802 -3.474 1.00 0.00 O ATOM 1024 CB GLN A 64 13.178 -7.980 -0.888 1.00 0.00 C ATOM 1025 CG GLN A 64 13.455 -7.926 0.604 1.00 0.00 C ATOM 1026 CD GLN A 64 13.497 -6.507 1.138 1.00 0.00 C ATOM 1027 OE1 GLN A 64 14.030 -5.606 0.493 1.00 0.00 O ATOM 1028 NE2 GLN A 64 12.933 -6.302 2.323 1.00 0.00 N ATOM 0 H GLN A 64 11.333 -10.525 -0.517 1.00 0.00 H new ATOM 0 HA GLN A 64 11.096 -8.329 -0.487 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.976 -8.539 -1.378 1.00 0.00 H new ATOM 0 HB3 GLN A 64 13.204 -6.968 -1.291 1.00 0.00 H new ATOM 0 HG2 GLN A 64 12.685 -8.487 1.133 1.00 0.00 H new ATOM 0 HG3 GLN A 64 14.406 -8.417 0.811 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.502 -7.079 2.824 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.931 -5.368 2.732 1.00 0.00 H new ATOM 1037 N GLU A 65 10.032 -8.052 -2.748 1.00 0.00 N ATOM 1038 CA GLU A 65 9.417 -7.579 -3.983 1.00 0.00 C ATOM 1039 C GLU A 65 9.062 -6.105 -3.835 1.00 0.00 C ATOM 1040 O GLU A 65 8.692 -5.668 -2.752 1.00 0.00 O ATOM 1041 CB GLU A 65 8.163 -8.398 -4.287 1.00 0.00 C ATOM 1042 CG GLU A 65 7.936 -8.643 -5.770 1.00 0.00 C ATOM 1043 CD GLU A 65 8.213 -10.078 -6.172 1.00 0.00 C ATOM 1044 OE1 GLU A 65 7.754 -10.994 -5.458 1.00 0.00 O ATOM 1045 OE2 GLU A 65 8.890 -10.287 -7.202 1.00 0.00 O ATOM 0 H GLU A 65 9.364 -8.317 -2.024 1.00 0.00 H new ATOM 0 HA GLU A 65 10.118 -7.698 -4.809 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.235 -9.358 -3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.295 -7.882 -3.876 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.906 -8.391 -6.023 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.578 -7.977 -6.347 1.00 0.00 H new ATOM 1052 N VAL A 66 9.200 -5.325 -4.901 1.00 0.00 N ATOM 1053 CA VAL A 66 8.905 -3.897 -4.807 1.00 0.00 C ATOM 1054 C VAL A 66 8.057 -3.375 -5.964 1.00 0.00 C ATOM 1055 O VAL A 66 8.311 -3.677 -7.130 1.00 0.00 O ATOM 1056 CB VAL A 66 10.199 -3.070 -4.728 1.00 0.00 C ATOM 1057 CG1 VAL A 66 9.881 -1.623 -4.384 1.00 0.00 C ATOM 1058 CG2 VAL A 66 11.158 -3.669 -3.710 1.00 0.00 C ATOM 0 H VAL A 66 9.506 -5.645 -5.820 1.00 0.00 H new ATOM 0 HA VAL A 66 8.325 -3.781 -3.891 1.00 0.00 H new ATOM 0 HB VAL A 66 10.685 -3.093 -5.703 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.807 -1.050 -4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.235 -1.200 -5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.373 -1.581 -3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.067 -3.069 -3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.686 -3.679 -2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 66 11.409 -4.689 -4.003 1.00 0.00 H new ATOM 1068 N THR A 67 7.067 -2.557 -5.613 1.00 0.00 N ATOM 1069 CA THR A 67 6.177 -1.934 -6.588 1.00 0.00 C ATOM 1070 C THR A 67 5.934 -0.476 -6.202 1.00 0.00 C ATOM 1071 O THR A 67 5.458 -0.192 -5.103 1.00 0.00 O ATOM 1072 CB THR A 67 4.826 -2.669 -6.676 1.00 0.00 C ATOM 1073 OG1 THR A 67 5.043 -4.081 -6.789 1.00 0.00 O ATOM 1074 CG2 THR A 67 4.018 -2.180 -7.869 1.00 0.00 C ATOM 0 H THR A 67 6.860 -2.308 -4.646 1.00 0.00 H new ATOM 0 HA THR A 67 6.659 -1.991 -7.564 1.00 0.00 H new ATOM 0 HB THR A 67 4.264 -2.458 -5.766 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.180 -4.541 -6.843 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.069 -2.714 -7.909 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.829 -1.111 -7.767 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.577 -2.364 -8.787 1.00 0.00 H new ATOM 1082 N ARG A 68 6.279 0.448 -7.093 1.00 0.00 N ATOM 1083 CA ARG A 68 6.113 1.874 -6.813 1.00 0.00 C ATOM 1084 C ARG A 68 4.761 2.395 -7.296 1.00 0.00 C ATOM 1085 O ARG A 68 4.235 1.946 -8.313 1.00 0.00 O ATOM 1086 CB ARG A 68 7.241 2.675 -7.466 1.00 0.00 C ATOM 1087 CG ARG A 68 8.600 1.997 -7.379 1.00 0.00 C ATOM 1088 CD ARG A 68 9.715 3.006 -7.158 1.00 0.00 C ATOM 1089 NE ARG A 68 10.966 2.361 -6.767 1.00 0.00 N ATOM 1090 CZ ARG A 68 11.634 2.657 -5.656 1.00 0.00 C ATOM 1091 NH1 ARG A 68 11.172 3.582 -4.826 1.00 0.00 N ATOM 1092 NH2 ARG A 68 12.765 2.024 -5.375 1.00 0.00 N ATOM 0 H ARG A 68 6.673 0.239 -8.010 1.00 0.00 H new ATOM 0 HA ARG A 68 6.153 2.002 -5.731 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.995 2.844 -8.514 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.302 3.654 -6.991 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.595 1.274 -6.563 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.789 1.440 -8.297 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.872 3.579 -8.072 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.415 3.714 -6.386 1.00 0.00 H new ATOM 0 HE ARG A 68 11.349 1.642 -7.381 1.00 0.00 H new ATOM 0 HH11 ARG A 68 10.301 4.069 -5.039 1.00 0.00 H new ATOM 0 HH12 ARG A 68 11.687 3.806 -3.975 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.122 1.311 -6.011 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.278 2.250 -4.523 1.00 0.00 H new ATOM 1106 N PHE A 69 4.210 3.356 -6.554 1.00 0.00 N ATOM 1107 CA PHE A 69 2.925 3.959 -6.897 1.00 0.00 C ATOM 1108 C PHE A 69 2.792 5.356 -6.295 1.00 0.00 C ATOM 1109 O PHE A 69 3.287 5.624 -5.201 1.00 0.00 O ATOM 1110 CB PHE A 69 1.765 3.074 -6.424 1.00 0.00 C ATOM 1111 CG PHE A 69 2.000 2.392 -5.103 1.00 0.00 C ATOM 1112 CD1 PHE A 69 2.306 3.124 -3.964 1.00 0.00 C ATOM 1113 CD2 PHE A 69 1.906 1.015 -5.001 1.00 0.00 C ATOM 1114 CE1 PHE A 69 2.514 2.493 -2.751 1.00 0.00 C ATOM 1115 CE2 PHE A 69 2.111 0.379 -3.793 1.00 0.00 C ATOM 1116 CZ PHE A 69 2.418 1.117 -2.667 1.00 0.00 C ATOM 0 H PHE A 69 4.637 3.734 -5.708 1.00 0.00 H new ATOM 0 HA PHE A 69 2.883 4.046 -7.983 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.866 3.685 -6.348 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.572 2.315 -7.182 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.383 4.200 -4.026 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.669 0.430 -5.878 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.751 3.074 -1.872 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.031 -0.696 -3.729 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.583 0.620 -1.723 1.00 0.00 H new ATOM 1126 N ASP A 70 2.102 6.236 -7.013 1.00 0.00 N ATOM 1127 CA ASP A 70 1.874 7.601 -6.553 1.00 0.00 C ATOM 1128 C ASP A 70 0.387 7.807 -6.299 1.00 0.00 C ATOM 1129 O ASP A 70 -0.443 7.417 -7.120 1.00 0.00 O ATOM 1130 CB ASP A 70 2.378 8.614 -7.585 1.00 0.00 C ATOM 1131 CG ASP A 70 3.893 8.642 -7.679 1.00 0.00 C ATOM 1132 OD1 ASP A 70 4.543 7.778 -7.053 1.00 0.00 O ATOM 1133 OD2 ASP A 70 4.427 9.529 -8.377 1.00 0.00 O ATOM 0 H ASP A 70 1.689 6.026 -7.922 1.00 0.00 H new ATOM 0 HA ASP A 70 2.427 7.758 -5.627 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.961 8.371 -8.562 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.015 9.607 -7.322 1.00 0.00 H new ATOM 1138 N PHE A 71 0.044 8.394 -5.157 1.00 0.00 N ATOM 1139 CA PHE A 71 -1.357 8.605 -4.824 1.00 0.00 C ATOM 1140 C PHE A 71 -1.581 9.912 -4.069 1.00 0.00 C ATOM 1141 O PHE A 71 -0.725 10.363 -3.306 1.00 0.00 O ATOM 1142 CB PHE A 71 -1.874 7.419 -4.003 1.00 0.00 C ATOM 1143 CG PHE A 71 -1.364 7.393 -2.588 1.00 0.00 C ATOM 1144 CD1 PHE A 71 -0.167 6.765 -2.280 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -2.083 7.994 -1.566 1.00 0.00 C ATOM 1146 CE1 PHE A 71 0.304 6.739 -0.980 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -1.617 7.972 -0.266 1.00 0.00 C ATOM 1148 CZ PHE A 71 -0.423 7.343 0.028 1.00 0.00 C ATOM 0 H PHE A 71 0.707 8.727 -4.457 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.914 8.678 -5.758 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.963 7.448 -3.986 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.587 6.492 -4.500 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.404 6.291 -3.064 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.019 8.485 -1.789 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.238 6.247 -0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.186 8.446 0.520 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.058 7.323 1.044 1.00 0.00 H new ATOM 1158 N THR A 72 -2.753 10.503 -4.289 1.00 0.00 N ATOM 1159 CA THR A 72 -3.138 11.750 -3.641 1.00 0.00 C ATOM 1160 C THR A 72 -4.634 11.743 -3.345 1.00 0.00 C ATOM 1161 O THR A 72 -5.380 10.949 -3.917 1.00 0.00 O ATOM 1162 CB THR A 72 -2.810 12.977 -4.516 1.00 0.00 C ATOM 1163 OG1 THR A 72 -3.757 13.082 -5.586 1.00 0.00 O ATOM 1164 CG2 THR A 72 -1.403 12.884 -5.087 1.00 0.00 C ATOM 0 H THR A 72 -3.461 10.130 -4.921 1.00 0.00 H new ATOM 0 HA THR A 72 -2.567 11.823 -2.715 1.00 0.00 H new ATOM 0 HB THR A 72 -2.868 13.865 -3.887 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.543 13.864 -6.136 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.200 13.763 -5.699 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.682 12.836 -4.271 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.318 11.987 -5.700 1.00 0.00 H new