USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=14 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 11 HIS : no HD1:sc= 0.602 K(o=0.15,f=-2.8) USER MOD Set 1.2: A 36 HIS : no HD1:sc= -0.449 K(o=0.15,f=-5.3!) USER MOD Set 2.1: A 15 TYR OH : rot 67:sc= 0.175 USER MOD Set 2.2: A 57 SER OG : rot -54:sc= -0.16! USER MOD Single : A 13 SER OG : rot -150:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -166:sc= 0.18 (180deg=-0.125) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 24 SER OG : rot 180:sc= -0.2 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.82! C(o=-2.8!,f=-3.4!) 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+ 160:sc= -0.66! (180deg=-1.82!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.76) USER MOD Single : A 59 GLN : amide:sc= -3.86! C(o=-3.9!,f=-2.2!) USER MOD Single : A 60 GLN : amide:sc= -0.131 K(o=-0.13,f=-0.83) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -2.58! C(o=-2.6!,f=-2.2!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -120:sc= -3.67! USER MOD ----------------------------------------------------------------- ATOM 142 N HIS A 11 -1.300 -17.001 1.007 1.00 0.00 N ATOM 143 CA HIS A 11 -0.857 -15.807 0.298 1.00 0.00 C ATOM 144 C HIS A 11 0.568 -15.436 0.695 1.00 0.00 C ATOM 145 O HIS A 11 1.307 -16.262 1.233 1.00 0.00 O ATOM 146 CB HIS A 11 -1.803 -14.638 0.586 1.00 0.00 C ATOM 147 CG HIS A 11 -3.233 -15.049 0.762 1.00 0.00 C ATOM 148 ND1 HIS A 11 -3.780 -15.223 2.011 1.00 0.00 N ATOM 149 CD2 HIS A 11 -4.178 -15.305 -0.175 1.00 0.00 C ATOM 150 CE1 HIS A 11 -5.036 -15.577 1.808 1.00 0.00 C ATOM 151 NE2 HIS A 11 -5.323 -15.641 0.500 1.00 0.00 N ATOM 0 HA HIS A 11 -0.871 -16.021 -0.771 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.468 -14.125 1.488 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -1.739 -13.920 -0.232 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -4.053 -15.254 -1.247 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -5.743 -15.788 2.597 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -6.221 -15.892 0.086 1.00 0.00 H new ATOM 159 N ILE A 12 0.947 -14.191 0.427 1.00 0.00 N ATOM 160 CA ILE A 12 2.283 -13.710 0.756 1.00 0.00 C ATOM 161 C ILE A 12 2.479 -13.634 2.265 1.00 0.00 C ATOM 162 O ILE A 12 1.531 -13.386 3.012 1.00 0.00 O ATOM 163 CB ILE A 12 2.542 -12.314 0.148 1.00 0.00 C ATOM 164 CG1 ILE A 12 3.938 -11.815 0.527 1.00 0.00 C ATOM 165 CG2 ILE A 12 1.484 -11.326 0.612 1.00 0.00 C ATOM 166 CD1 ILE A 12 4.901 -11.778 -0.639 1.00 0.00 C ATOM 0 H ILE A 12 0.347 -13.496 -0.018 1.00 0.00 H new ATOM 0 HA ILE A 12 2.991 -14.422 0.332 1.00 0.00 H new ATOM 0 HB ILE A 12 2.486 -12.397 -0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.855 -10.815 0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.347 -12.459 1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.682 -10.348 0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.500 -11.672 0.296 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.510 -11.249 1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.871 -11.415 -0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.013 -12.781 -1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.514 -11.111 -1.410 1.00 0.00 H new ATOM 178 N SER A 13 3.718 -13.840 2.708 1.00 0.00 N ATOM 179 CA SER A 13 4.039 -13.781 4.127 1.00 0.00 C ATOM 180 C SER A 13 3.604 -12.442 4.711 1.00 0.00 C ATOM 181 O SER A 13 2.913 -12.393 5.728 1.00 0.00 O ATOM 182 CB SER A 13 5.539 -13.986 4.343 1.00 0.00 C ATOM 183 OG SER A 13 5.781 -14.966 5.339 1.00 0.00 O ATOM 0 H SER A 13 4.513 -14.049 2.104 1.00 0.00 H new ATOM 0 HA SER A 13 3.500 -14.579 4.638 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.006 -14.291 3.407 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.000 -13.043 4.637 1.00 0.00 H new ATOM 0 HG SER A 13 6.624 -14.766 5.797 1.00 0.00 H new ATOM 189 N LYS A 14 4.006 -11.356 4.052 1.00 0.00 N ATOM 190 CA LYS A 14 3.648 -10.014 4.502 1.00 0.00 C ATOM 191 C LYS A 14 4.036 -8.954 3.474 1.00 0.00 C ATOM 192 O LYS A 14 5.065 -9.064 2.808 1.00 0.00 O ATOM 193 CB LYS A 14 4.321 -9.704 5.842 1.00 0.00 C ATOM 194 CG LYS A 14 5.811 -10.013 5.867 1.00 0.00 C ATOM 195 CD LYS A 14 6.435 -9.624 7.198 1.00 0.00 C ATOM 196 CE LYS A 14 7.868 -9.143 7.026 1.00 0.00 C ATOM 197 NZ LYS A 14 8.440 -8.637 8.306 1.00 0.00 N ATOM 0 H LYS A 14 4.578 -11.380 3.208 1.00 0.00 H new ATOM 0 HA LYS A 14 2.565 -9.988 4.625 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.174 -8.650 6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.827 -10.277 6.627 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.967 -11.077 5.687 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.309 -9.477 5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.840 -8.838 7.663 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.416 -10.480 7.873 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.483 -9.961 6.651 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.898 -8.352 6.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.417 -8.319 8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.868 -7.840 8.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.435 -9.399 9.014 1.00 0.00 H new ATOM 211 N TYR A 15 3.208 -7.917 3.369 1.00 0.00 N ATOM 212 CA TYR A 15 3.454 -6.815 2.445 1.00 0.00 C ATOM 213 C TYR A 15 4.008 -5.619 3.207 1.00 0.00 C ATOM 214 O TYR A 15 3.756 -5.470 4.402 1.00 0.00 O ATOM 215 CB TYR A 15 2.157 -6.407 1.738 1.00 0.00 C ATOM 216 CG TYR A 15 2.134 -6.708 0.256 1.00 0.00 C ATOM 217 CD1 TYR A 15 2.812 -5.901 -0.649 1.00 0.00 C ATOM 218 CD2 TYR A 15 1.427 -7.799 -0.240 1.00 0.00 C ATOM 219 CE1 TYR A 15 2.787 -6.169 -2.003 1.00 0.00 C ATOM 220 CE2 TYR A 15 1.399 -8.073 -1.594 1.00 0.00 C ATOM 221 CZ TYR A 15 2.079 -7.256 -2.470 1.00 0.00 C ATOM 222 OH TYR A 15 2.053 -7.526 -3.820 1.00 0.00 O ATOM 0 H TYR A 15 2.354 -7.818 3.918 1.00 0.00 H new ATOM 0 HA TYR A 15 4.177 -7.144 1.698 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.321 -6.920 2.214 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.999 -5.338 1.882 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.368 -5.049 -0.287 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.892 -8.441 0.444 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.319 -5.531 -2.693 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.846 -8.924 -1.964 1.00 0.00 H new ATOM 0 HH TYR A 15 2.950 -7.782 -4.120 1.00 0.00 H new ATOM 232 N ILE A 16 4.757 -4.765 2.520 1.00 0.00 N ATOM 233 CA ILE A 16 5.327 -3.590 3.157 1.00 0.00 C ATOM 234 C ILE A 16 4.766 -2.318 2.568 1.00 0.00 C ATOM 235 O ILE A 16 4.493 -2.231 1.370 1.00 0.00 O ATOM 236 CB ILE A 16 6.870 -3.527 3.036 1.00 0.00 C ATOM 237 CG1 ILE A 16 7.505 -3.427 4.428 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.307 -2.336 2.166 1.00 0.00 C ATOM 239 CD1 ILE A 16 7.151 -2.153 5.175 1.00 0.00 C ATOM 0 H ILE A 16 4.981 -4.865 1.530 1.00 0.00 H new ATOM 0 HA ILE A 16 5.057 -3.676 4.210 1.00 0.00 H new ATOM 0 HB ILE A 16 7.212 -4.443 2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.191 -4.285 5.023 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.589 -3.489 4.328 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.395 -2.315 2.098 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.882 -2.440 1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.954 -1.408 2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.638 -2.156 6.150 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.490 -1.290 4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.071 -2.098 5.309 1.00 0.00 H new ATOM 251 N LEU A 17 4.664 -1.315 3.411 1.00 0.00 N ATOM 252 CA LEU A 17 4.221 -0.022 2.975 1.00 0.00 C ATOM 253 C LEU A 17 5.147 1.021 3.561 1.00 0.00 C ATOM 254 O LEU A 17 5.123 1.291 4.759 1.00 0.00 O ATOM 255 CB LEU A 17 2.781 0.231 3.408 1.00 0.00 C ATOM 256 CG LEU A 17 1.825 0.605 2.273 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.722 -0.431 2.141 1.00 0.00 C ATOM 258 CD2 LEU A 17 1.234 1.987 2.509 1.00 0.00 C ATOM 0 H LEU A 17 4.884 -1.377 4.405 1.00 0.00 H new ATOM 0 HA LEU A 17 4.247 0.029 1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.403 -0.664 3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.774 1.031 4.148 1.00 0.00 H new ATOM 0 HG LEU A 17 2.389 0.626 1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.052 -0.148 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.162 -1.405 1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.160 -0.485 3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.557 2.237 1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.685 1.992 3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.037 2.723 2.553 1.00 0.00 H new ATOM 270 N ARG A 18 5.944 1.614 2.699 1.00 0.00 N ATOM 271 CA ARG A 18 6.872 2.645 3.104 1.00 0.00 C ATOM 272 C ARG A 18 6.563 3.870 2.293 1.00 0.00 C ATOM 273 O ARG A 18 6.458 3.789 1.072 1.00 0.00 O ATOM 274 CB ARG A 18 8.317 2.194 2.882 1.00 0.00 C ATOM 275 CG ARG A 18 8.824 1.239 3.940 1.00 0.00 C ATOM 276 CD ARG A 18 9.436 0.004 3.305 1.00 0.00 C ATOM 277 NE ARG A 18 10.753 0.276 2.735 1.00 0.00 N ATOM 278 CZ ARG A 18 11.772 -0.577 2.789 1.00 0.00 C ATOM 279 NH1 ARG A 18 11.625 -1.755 3.382 1.00 0.00 N ATOM 280 NH2 ARG A 18 12.939 -0.253 2.250 1.00 0.00 N ATOM 0 H ARG A 18 5.967 1.396 1.703 1.00 0.00 H new ATOM 0 HA ARG A 18 6.766 2.857 4.168 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.393 1.715 1.906 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.963 3.072 2.858 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.567 1.739 4.562 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.004 0.947 4.596 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.521 -0.784 4.053 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.773 -0.368 2.524 1.00 0.00 H new ATOM 0 HE ARG A 18 10.900 1.171 2.269 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.729 -2.008 3.798 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.408 -2.407 3.422 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.056 0.651 1.793 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.720 -0.908 2.292 1.00 0.00 H new ATOM 294 N TRP A 19 6.370 4.999 2.944 1.00 0.00 N ATOM 295 CA TRP A 19 6.019 6.174 2.182 1.00 0.00 C ATOM 296 C TRP A 19 6.255 7.488 2.911 1.00 0.00 C ATOM 297 O TRP A 19 6.346 7.552 4.136 1.00 0.00 O ATOM 298 CB TRP A 19 4.561 6.047 1.736 1.00 0.00 C ATOM 299 CG TRP A 19 3.563 6.464 2.761 1.00 0.00 C ATOM 300 CD1 TRP A 19 3.003 7.691 2.872 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.998 5.659 3.799 1.00 0.00 C ATOM 302 NE1 TRP A 19 2.129 7.720 3.933 1.00 0.00 N ATOM 303 CE2 TRP A 19 2.106 6.478 4.517 1.00 0.00 C ATOM 304 CE3 TRP A 19 3.162 4.329 4.196 1.00 0.00 C ATOM 305 CZ2 TRP A 19 1.380 6.009 5.609 1.00 0.00 C ATOM 306 CZ3 TRP A 19 2.439 3.864 5.279 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.558 4.703 5.974 1.00 0.00 C ATOM 0 H TRP A 19 6.446 5.125 3.953 1.00 0.00 H new ATOM 0 HA TRP A 19 6.686 6.214 1.321 1.00 0.00 H new ATOM 0 HB2 TRP A 19 4.415 6.649 0.839 1.00 0.00 H new ATOM 0 HB3 TRP A 19 4.368 5.011 1.460 1.00 0.00 H new ATOM 0 HD1 TRP A 19 3.212 8.527 2.221 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.588 8.530 4.236 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.841 3.677 3.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.701 6.653 6.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.555 2.838 5.594 1.00 0.00 H new ATOM 0 HH2 TRP A 19 1.008 4.310 6.816 1.00 0.00 H new ATOM 318 N ARG A 20 6.344 8.529 2.098 1.00 0.00 N ATOM 319 CA ARG A 20 6.563 9.895 2.540 1.00 0.00 C ATOM 320 C ARG A 20 6.086 10.816 1.423 1.00 0.00 C ATOM 321 O ARG A 20 5.850 10.347 0.313 1.00 0.00 O ATOM 322 CB ARG A 20 8.044 10.137 2.858 1.00 0.00 C ATOM 323 CG ARG A 20 8.876 10.534 1.650 1.00 0.00 C ATOM 324 CD ARG A 20 9.139 9.347 0.743 1.00 0.00 C ATOM 325 NE ARG A 20 10.377 9.504 -0.016 1.00 0.00 N ATOM 326 CZ ARG A 20 10.414 9.836 -1.302 1.00 0.00 C ATOM 327 NH1 ARG A 20 9.286 10.035 -1.971 1.00 0.00 N ATOM 328 NH2 ARG A 20 11.579 9.970 -1.922 1.00 0.00 N ATOM 0 H ARG A 20 6.263 8.443 1.085 1.00 0.00 H new ATOM 0 HA ARG A 20 6.008 10.092 3.457 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.120 10.920 3.613 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.465 9.231 3.295 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.359 11.313 1.091 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.824 10.956 1.983 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.193 8.438 1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.304 9.225 0.053 1.00 0.00 H new ATOM 0 HE ARG A 20 11.262 9.350 0.468 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.388 9.933 -1.498 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.317 10.290 -2.958 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.449 9.818 -1.411 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.605 10.225 -2.909 1.00 0.00 H new ATOM 342 N PRO A 21 5.910 12.119 1.675 1.00 0.00 N ATOM 343 CA PRO A 21 5.428 13.035 0.640 1.00 0.00 C ATOM 344 C PRO A 21 6.274 12.986 -0.626 1.00 0.00 C ATOM 345 O PRO A 21 7.455 13.328 -0.617 1.00 0.00 O ATOM 346 CB PRO A 21 5.536 14.401 1.296 1.00 0.00 C ATOM 347 CG PRO A 21 5.461 14.129 2.752 1.00 0.00 C ATOM 348 CD PRO A 21 6.126 12.799 2.962 1.00 0.00 C ATOM 0 HA PRO A 21 4.419 12.780 0.315 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.472 14.893 1.033 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.729 15.059 0.974 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.965 14.911 3.321 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.425 14.105 3.091 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.187 12.908 3.188 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.678 12.249 3.790 1.00 0.00 H new ATOM 356 N LYS A 22 5.636 12.548 -1.710 1.00 0.00 N ATOM 357 CA LYS A 22 6.265 12.430 -3.017 1.00 0.00 C ATOM 358 C LYS A 22 7.302 13.529 -3.249 1.00 0.00 C ATOM 359 O LYS A 22 8.452 13.246 -3.583 1.00 0.00 O ATOM 360 CB LYS A 22 5.181 12.496 -4.086 1.00 0.00 C ATOM 361 CG LYS A 22 5.706 12.537 -5.513 1.00 0.00 C ATOM 362 CD LYS A 22 6.832 11.537 -5.738 1.00 0.00 C ATOM 363 CE LYS A 22 7.541 11.781 -7.062 1.00 0.00 C ATOM 364 NZ LYS A 22 6.600 12.241 -8.121 1.00 0.00 N ATOM 0 H LYS A 22 4.657 12.263 -1.702 1.00 0.00 H new ATOM 0 HA LYS A 22 6.791 11.477 -3.068 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.528 11.630 -3.977 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.569 13.381 -3.911 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.891 12.326 -6.205 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.064 13.542 -5.739 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.551 11.607 -4.921 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.429 10.524 -5.722 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.323 12.527 -6.923 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.031 10.863 -7.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.061 12.169 -9.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.747 11.645 -8.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.333 13.230 -7.943 1.00 0.00 H new ATOM 378 N ASN A 23 6.885 14.782 -3.075 1.00 0.00 N ATOM 379 CA ASN A 23 7.783 15.919 -3.274 1.00 0.00 C ATOM 380 C ASN A 23 8.293 16.480 -1.948 1.00 0.00 C ATOM 381 O ASN A 23 9.478 16.785 -1.808 1.00 0.00 O ATOM 382 CB ASN A 23 7.074 17.022 -4.064 1.00 0.00 C ATOM 383 CG ASN A 23 7.166 16.811 -5.562 1.00 0.00 C ATOM 384 OD1 ASN A 23 6.378 16.066 -6.147 1.00 0.00 O ATOM 385 ND2 ASN A 23 8.131 17.468 -6.195 1.00 0.00 N ATOM 0 H ASN A 23 5.936 15.035 -2.798 1.00 0.00 H new ATOM 0 HA ASN A 23 8.643 15.560 -3.839 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.025 17.060 -3.769 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.512 17.987 -3.808 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.241 17.366 -7.204 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.762 18.075 -5.672 1.00 0.00 H new ATOM 392 N SER A 24 7.387 16.628 -0.985 1.00 0.00 N ATOM 393 CA SER A 24 7.738 17.168 0.326 1.00 0.00 C ATOM 394 C SER A 24 8.457 16.126 1.178 1.00 0.00 C ATOM 395 O SER A 24 8.721 15.015 0.723 1.00 0.00 O ATOM 396 CB SER A 24 6.477 17.661 1.041 1.00 0.00 C ATOM 397 OG SER A 24 6.780 18.199 2.316 1.00 0.00 O ATOM 0 H SER A 24 6.403 16.381 -1.088 1.00 0.00 H new ATOM 0 HA SER A 24 8.418 18.007 0.179 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.985 18.420 0.432 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.774 16.836 1.151 1.00 0.00 H new ATOM 0 HG SER A 24 5.955 18.506 2.746 1.00 0.00 H new ATOM 403 N VAL A 25 8.774 16.492 2.416 1.00 0.00 N ATOM 404 CA VAL A 25 9.463 15.587 3.328 1.00 0.00 C ATOM 405 C VAL A 25 8.735 15.501 4.666 1.00 0.00 C ATOM 406 O VAL A 25 8.371 16.521 5.252 1.00 0.00 O ATOM 407 CB VAL A 25 10.916 16.034 3.573 1.00 0.00 C ATOM 408 CG1 VAL A 25 11.772 15.767 2.345 1.00 0.00 C ATOM 409 CG2 VAL A 25 10.966 17.507 3.956 1.00 0.00 C ATOM 0 H VAL A 25 8.565 17.409 2.810 1.00 0.00 H new ATOM 0 HA VAL A 25 9.470 14.604 2.856 1.00 0.00 H new ATOM 0 HB VAL A 25 11.319 15.453 4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.795 16.090 2.538 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.764 14.700 2.121 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.371 16.319 1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.001 17.804 4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 25 10.543 18.107 3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.390 17.666 4.867 1.00 0.00 H new ATOM 419 N GLY A 26 8.525 14.278 5.142 1.00 0.00 N ATOM 420 CA GLY A 26 7.839 14.082 6.406 1.00 0.00 C ATOM 421 C GLY A 26 8.166 12.746 7.043 1.00 0.00 C ATOM 422 O GLY A 26 7.312 12.137 7.690 1.00 0.00 O ATOM 0 H GLY A 26 8.817 13.419 4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.112 14.884 7.092 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.763 14.151 6.246 1.00 0.00 H new ATOM 426 N ARG A 27 9.405 12.294 6.858 1.00 0.00 N ATOM 427 CA ARG A 27 9.858 11.022 7.415 1.00 0.00 C ATOM 428 C ARG A 27 9.112 9.848 6.782 1.00 0.00 C ATOM 429 O ARG A 27 7.905 9.914 6.553 1.00 0.00 O ATOM 430 CB ARG A 27 9.675 11.013 8.939 1.00 0.00 C ATOM 431 CG ARG A 27 9.677 9.622 9.556 1.00 0.00 C ATOM 432 CD ARG A 27 11.047 9.254 10.103 1.00 0.00 C ATOM 433 NE ARG A 27 11.024 9.067 11.551 1.00 0.00 N ATOM 434 CZ ARG A 27 10.891 7.883 12.142 1.00 0.00 C ATOM 435 NH1 ARG A 27 10.777 6.780 11.412 1.00 0.00 N ATOM 436 NH2 ARG A 27 10.873 7.798 13.464 1.00 0.00 N ATOM 0 H ARG A 27 10.116 12.793 6.324 1.00 0.00 H new ATOM 0 HA ARG A 27 10.918 10.910 7.187 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.472 11.602 9.393 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.735 11.506 9.184 1.00 0.00 H new ATOM 0 HG2 ARG A 27 8.941 9.578 10.358 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.375 8.890 8.806 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.395 8.339 9.624 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.761 10.037 9.850 1.00 0.00 H new ATOM 0 HE ARG A 27 11.115 9.892 12.144 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.791 6.839 10.394 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.675 5.874 11.869 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.961 8.642 14.031 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.771 6.889 13.915 1.00 0.00 H new ATOM 450 N TRP A 28 9.844 8.772 6.507 1.00 0.00 N ATOM 451 CA TRP A 28 9.257 7.579 5.906 1.00 0.00 C ATOM 452 C TRP A 28 8.167 7.001 6.806 1.00 0.00 C ATOM 453 O TRP A 28 8.053 7.372 7.975 1.00 0.00 O ATOM 454 CB TRP A 28 10.336 6.518 5.667 1.00 0.00 C ATOM 455 CG TRP A 28 11.113 6.710 4.397 1.00 0.00 C ATOM 456 CD1 TRP A 28 12.414 7.110 4.288 1.00 0.00 C ATOM 457 CD2 TRP A 28 10.644 6.502 3.059 1.00 0.00 C ATOM 458 NE1 TRP A 28 12.784 7.162 2.967 1.00 0.00 N ATOM 459 CE2 TRP A 28 11.715 6.794 2.192 1.00 0.00 C ATOM 460 CE3 TRP A 28 9.423 6.098 2.508 1.00 0.00 C ATOM 461 CZ2 TRP A 28 11.601 6.693 0.807 1.00 0.00 C ATOM 462 CZ3 TRP A 28 9.313 5.999 1.132 1.00 0.00 C ATOM 463 CH2 TRP A 28 10.396 6.296 0.295 1.00 0.00 C ATOM 0 H TRP A 28 10.845 8.702 6.691 1.00 0.00 H new ATOM 0 HA TRP A 28 8.814 7.865 4.952 1.00 0.00 H new ATOM 0 HB2 TRP A 28 11.029 6.524 6.509 1.00 0.00 H new ATOM 0 HB3 TRP A 28 9.866 5.535 5.648 1.00 0.00 H new ATOM 0 HD1 TRP A 28 13.059 7.351 5.120 1.00 0.00 H new ATOM 0 HE1 TRP A 28 13.704 7.431 2.619 1.00 0.00 H new ATOM 0 HE3 TRP A 28 8.582 5.868 3.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.435 6.920 0.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 8.375 5.687 0.696 1.00 0.00 H new ATOM 0 HH2 TRP A 28 10.278 6.210 -0.775 1.00 0.00 H new ATOM 474 N LYS A 29 7.379 6.080 6.259 1.00 0.00 N ATOM 475 CA LYS A 29 6.310 5.437 7.018 1.00 0.00 C ATOM 476 C LYS A 29 6.375 3.930 6.814 1.00 0.00 C ATOM 477 O LYS A 29 6.966 3.471 5.840 1.00 0.00 O ATOM 478 CB LYS A 29 4.946 5.973 6.583 1.00 0.00 C ATOM 479 CG LYS A 29 4.810 7.482 6.719 1.00 0.00 C ATOM 480 CD LYS A 29 3.959 7.859 7.920 1.00 0.00 C ATOM 481 CE LYS A 29 2.646 8.494 7.495 1.00 0.00 C ATOM 482 NZ LYS A 29 2.270 9.634 8.375 1.00 0.00 N ATOM 0 H LYS A 29 7.460 5.762 5.293 1.00 0.00 H new ATOM 0 HA LYS A 29 6.442 5.662 8.076 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.770 5.693 5.544 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.170 5.492 7.178 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.799 7.930 6.818 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.364 7.891 5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.758 6.970 8.518 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.511 8.552 8.555 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.728 8.842 6.465 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.856 7.743 7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.369 10.040 8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.167 9.298 9.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.011 10.362 8.335 1.00 0.00 H new ATOM 496 N GLU A 30 5.786 3.159 7.729 1.00 0.00 N ATOM 497 CA GLU A 30 5.818 1.702 7.612 1.00 0.00 C ATOM 498 C GLU A 30 4.472 1.058 7.959 1.00 0.00 C ATOM 499 O GLU A 30 3.896 1.308 9.019 1.00 0.00 O ATOM 500 CB GLU A 30 6.942 1.122 8.485 1.00 0.00 C ATOM 501 CG GLU A 30 6.528 0.778 9.909 1.00 0.00 C ATOM 502 CD GLU A 30 6.696 1.942 10.867 1.00 0.00 C ATOM 503 OE1 GLU A 30 6.741 3.097 10.397 1.00 0.00 O ATOM 504 OE2 GLU A 30 6.783 1.696 12.090 1.00 0.00 O ATOM 0 H GLU A 30 5.289 3.512 8.547 1.00 0.00 H new ATOM 0 HA GLU A 30 6.020 1.465 6.568 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.328 0.222 8.006 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.761 1.840 8.523 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.486 0.458 9.912 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.122 -0.065 10.261 1.00 0.00 H new ATOM 511 N ALA A 31 3.990 0.216 7.046 1.00 0.00 N ATOM 512 CA ALA A 31 2.729 -0.496 7.228 1.00 0.00 C ATOM 513 C ALA A 31 2.827 -1.906 6.650 1.00 0.00 C ATOM 514 O ALA A 31 3.126 -2.076 5.468 1.00 0.00 O ATOM 515 CB ALA A 31 1.584 0.267 6.578 1.00 0.00 C ATOM 0 H ALA A 31 4.460 0.010 6.165 1.00 0.00 H new ATOM 0 HA ALA A 31 2.527 -0.572 8.296 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.653 -0.280 6.725 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.500 1.254 7.032 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.778 0.374 5.511 1.00 0.00 H new ATOM 521 N THR A 32 2.584 -2.916 7.480 1.00 0.00 N ATOM 522 CA THR A 32 2.661 -4.301 7.023 1.00 0.00 C ATOM 523 C THR A 32 1.278 -4.932 6.900 1.00 0.00 C ATOM 524 O THR A 32 0.533 -5.018 7.876 1.00 0.00 O ATOM 525 CB THR A 32 3.518 -5.164 7.968 1.00 0.00 C ATOM 526 OG1 THR A 32 4.637 -4.406 8.445 1.00 0.00 O ATOM 527 CG2 THR A 32 4.012 -6.418 7.257 1.00 0.00 C ATOM 0 H THR A 32 2.335 -2.805 8.463 1.00 0.00 H new ATOM 0 HA THR A 32 3.130 -4.271 6.039 1.00 0.00 H new ATOM 0 HB THR A 32 2.898 -5.465 8.813 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.176 -4.961 9.046 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.615 -7.012 7.944 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.158 -7.007 6.922 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.617 -6.134 6.396 1.00 0.00 H new ATOM 535 N ILE A 33 0.948 -5.382 5.693 1.00 0.00 N ATOM 536 CA ILE A 33 -0.339 -6.019 5.434 1.00 0.00 C ATOM 537 C ILE A 33 -0.138 -7.425 4.869 1.00 0.00 C ATOM 538 O ILE A 33 0.259 -7.583 3.716 1.00 0.00 O ATOM 539 CB ILE A 33 -1.196 -5.206 4.439 1.00 0.00 C ATOM 540 CG1 ILE A 33 -0.495 -3.899 4.054 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.567 -4.926 5.026 1.00 0.00 C ATOM 542 CD1 ILE A 33 -0.583 -2.809 5.101 1.00 0.00 C ATOM 0 H ILE A 33 1.556 -5.317 4.877 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.863 -6.068 6.389 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.322 -5.799 3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.556 -4.110 3.854 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.928 -3.529 3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.158 -4.352 4.312 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.071 -5.869 5.240 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.458 -4.356 5.948 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.061 -1.921 4.746 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.629 -2.565 5.286 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.122 -3.155 6.026 1.00 0.00 H new ATOM 554 N PRO A 34 -0.407 -8.470 5.671 1.00 0.00 N ATOM 555 CA PRO A 34 -0.245 -9.858 5.230 1.00 0.00 C ATOM 556 C PRO A 34 -1.323 -10.283 4.241 1.00 0.00 C ATOM 557 O PRO A 34 -2.492 -10.423 4.602 1.00 0.00 O ATOM 558 CB PRO A 34 -0.360 -10.656 6.527 1.00 0.00 C ATOM 559 CG PRO A 34 -1.209 -9.813 7.414 1.00 0.00 C ATOM 560 CD PRO A 34 -0.885 -8.385 7.065 1.00 0.00 C ATOM 0 HA PRO A 34 0.696 -10.011 4.702 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.815 -11.631 6.353 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.620 -10.836 6.970 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.267 -10.023 7.256 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.997 -10.016 8.464 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.761 -7.742 7.150 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.122 -7.973 7.726 1.00 0.00 H new ATOM 568 N GLY A 35 -0.921 -10.487 2.990 1.00 0.00 N ATOM 569 CA GLY A 35 -1.863 -10.897 1.964 1.00 0.00 C ATOM 570 C GLY A 35 -2.945 -9.863 1.723 1.00 0.00 C ATOM 571 O GLY A 35 -2.653 -8.723 1.362 1.00 0.00 O ATOM 0 H GLY A 35 0.041 -10.376 2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.325 -11.079 1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.325 -11.840 2.255 1.00 0.00 H new ATOM 575 N HIS A 36 -4.196 -10.265 1.917 1.00 0.00 N ATOM 576 CA HIS A 36 -5.327 -9.367 1.715 1.00 0.00 C ATOM 577 C HIS A 36 -6.427 -9.634 2.743 1.00 0.00 C ATOM 578 O HIS A 36 -7.510 -10.117 2.411 1.00 0.00 O ATOM 579 CB HIS A 36 -5.869 -9.514 0.287 1.00 0.00 C ATOM 580 CG HIS A 36 -6.336 -10.900 -0.053 1.00 0.00 C ATOM 581 ND1 HIS A 36 -7.546 -11.114 -0.666 1.00 0.00 N ATOM 582 CD2 HIS A 36 -5.728 -12.094 0.155 1.00 0.00 C ATOM 583 CE1 HIS A 36 -7.649 -12.422 -0.818 1.00 0.00 C ATOM 584 NE2 HIS A 36 -6.571 -13.058 -0.335 1.00 0.00 N ATOM 0 H HIS A 36 -4.453 -11.207 2.214 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.983 -8.342 1.854 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.698 -8.820 0.152 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.090 -9.222 -0.417 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -4.765 -12.255 0.617 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -8.494 -12.917 -1.273 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -6.410 -14.065 -0.333 1.00 0.00 H new ATOM 592 N LEU A 37 -6.136 -9.313 4.000 1.00 0.00 N ATOM 593 CA LEU A 37 -7.090 -9.517 5.085 1.00 0.00 C ATOM 594 C LEU A 37 -8.311 -8.619 4.913 1.00 0.00 C ATOM 595 O LEU A 37 -9.426 -8.996 5.272 1.00 0.00 O ATOM 596 CB LEU A 37 -6.425 -9.238 6.438 1.00 0.00 C ATOM 597 CG LEU A 37 -5.701 -7.893 6.543 1.00 0.00 C ATOM 598 CD1 LEU A 37 -5.785 -7.350 7.962 1.00 0.00 C ATOM 599 CD2 LEU A 37 -4.248 -8.029 6.114 1.00 0.00 C ATOM 0 H LEU A 37 -5.246 -8.910 4.293 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.418 -10.556 5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.187 -9.284 7.216 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.710 -10.034 6.645 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.193 -7.189 5.872 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.265 -6.394 8.017 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.831 -7.211 8.237 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.320 -8.056 8.650 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.752 -7.062 6.196 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.745 -8.751 6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.204 -8.372 5.080 1.00 0.00 H new ATOM 611 N ASN A 38 -8.091 -7.433 4.353 1.00 0.00 N ATOM 612 CA ASN A 38 -9.170 -6.478 4.122 1.00 0.00 C ATOM 613 C ASN A 38 -8.661 -5.269 3.348 1.00 0.00 C ATOM 614 O ASN A 38 -7.519 -5.251 2.887 1.00 0.00 O ATOM 615 CB ASN A 38 -9.783 -6.029 5.451 1.00 0.00 C ATOM 616 CG ASN A 38 -8.733 -5.678 6.486 1.00 0.00 C ATOM 617 OD1 ASN A 38 -8.655 -6.304 7.544 1.00 0.00 O ATOM 618 ND2 ASN A 38 -7.920 -4.672 6.188 1.00 0.00 N ATOM 0 H ASN A 38 -7.172 -7.110 4.050 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.940 -6.973 3.529 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.422 -5.163 5.278 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.421 -6.823 5.840 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.195 -4.390 6.847 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.020 -4.181 5.300 1.00 0.00 H new ATOM 625 N SER A 39 -9.513 -4.259 3.212 1.00 0.00 N ATOM 626 CA SER A 39 -9.145 -3.044 2.496 1.00 0.00 C ATOM 627 C SER A 39 -8.420 -2.068 3.416 1.00 0.00 C ATOM 628 O SER A 39 -9.038 -1.428 4.267 1.00 0.00 O ATOM 629 CB SER A 39 -10.391 -2.377 1.909 1.00 0.00 C ATOM 630 OG SER A 39 -10.813 -3.033 0.725 1.00 0.00 O ATOM 0 H SER A 39 -10.461 -4.258 3.587 1.00 0.00 H new ATOM 0 HA SER A 39 -8.471 -3.320 1.685 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.196 -2.393 2.644 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.179 -1.330 1.692 1.00 0.00 H new ATOM 0 HG SER A 39 -11.611 -2.588 0.371 1.00 0.00 H new ATOM 636 N TYR A 40 -7.108 -1.956 3.238 1.00 0.00 N ATOM 637 CA TYR A 40 -6.299 -1.054 4.048 1.00 0.00 C ATOM 638 C TYR A 40 -6.149 0.296 3.355 1.00 0.00 C ATOM 639 O TYR A 40 -5.436 0.418 2.359 1.00 0.00 O ATOM 640 CB TYR A 40 -4.921 -1.664 4.315 1.00 0.00 C ATOM 641 CG TYR A 40 -4.024 -0.793 5.167 1.00 0.00 C ATOM 642 CD1 TYR A 40 -4.064 -0.864 6.554 1.00 0.00 C ATOM 643 CD2 TYR A 40 -3.133 0.101 4.583 1.00 0.00 C ATOM 644 CE1 TYR A 40 -3.245 -0.070 7.334 1.00 0.00 C ATOM 645 CE2 TYR A 40 -2.311 0.898 5.356 1.00 0.00 C ATOM 646 CZ TYR A 40 -2.371 0.809 6.730 1.00 0.00 C ATOM 647 OH TYR A 40 -1.553 1.601 7.503 1.00 0.00 O ATOM 0 H TYR A 40 -6.582 -2.480 2.539 1.00 0.00 H new ATOM 0 HA TYR A 40 -6.805 -0.903 5.001 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.050 -2.628 4.807 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.428 -1.856 3.362 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.747 -1.552 7.031 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.083 0.173 3.507 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.289 -0.138 8.411 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.625 1.587 4.886 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.998 2.162 6.923 1.00 0.00 H new ATOM 657 N THR A 41 -6.830 1.306 3.886 1.00 0.00 N ATOM 658 CA THR A 41 -6.778 2.645 3.315 1.00 0.00 C ATOM 659 C THR A 41 -5.955 3.587 4.186 1.00 0.00 C ATOM 660 O THR A 41 -6.032 3.540 5.415 1.00 0.00 O ATOM 661 CB THR A 41 -8.190 3.235 3.130 1.00 0.00 C ATOM 662 OG1 THR A 41 -8.537 4.045 4.259 1.00 0.00 O ATOM 663 CG2 THR A 41 -9.223 2.131 2.957 1.00 0.00 C ATOM 0 H THR A 41 -7.424 1.222 4.711 1.00 0.00 H new ATOM 0 HA THR A 41 -6.302 2.551 2.339 1.00 0.00 H new ATOM 0 HB THR A 41 -8.184 3.850 2.230 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.435 4.417 4.131 1.00 0.00 H new ATOM 0 HG21 THR A 41 -10.211 2.574 2.828 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.975 1.535 2.078 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.224 1.492 3.840 1.00 0.00 H new ATOM 671 N ILE A 42 -5.170 4.445 3.541 1.00 0.00 N ATOM 672 CA ILE A 42 -4.333 5.404 4.252 1.00 0.00 C ATOM 673 C ILE A 42 -4.980 6.783 4.268 1.00 0.00 C ATOM 674 O ILE A 42 -5.413 7.286 3.230 1.00 0.00 O ATOM 675 CB ILE A 42 -2.934 5.513 3.612 1.00 0.00 C ATOM 676 CG1 ILE A 42 -2.299 4.128 3.482 1.00 0.00 C ATOM 677 CG2 ILE A 42 -2.045 6.436 4.432 1.00 0.00 C ATOM 678 CD1 ILE A 42 -2.023 3.724 2.050 1.00 0.00 C ATOM 0 H ILE A 42 -5.097 4.495 2.525 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.228 5.040 5.274 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.040 5.938 2.614 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.364 4.111 4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.958 3.390 3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.062 6.502 3.967 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.493 7.429 4.475 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.943 6.040 5.442 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.573 2.731 2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.958 3.709 1.490 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.339 4.441 1.595 1.00 0.00 H new ATOM 690 N LYS A 43 -5.044 7.392 5.448 1.00 0.00 N ATOM 691 CA LYS A 43 -5.642 8.713 5.588 1.00 0.00 C ATOM 692 C LYS A 43 -4.639 9.719 6.147 1.00 0.00 C ATOM 693 O LYS A 43 -4.701 10.096 7.318 1.00 0.00 O ATOM 694 CB LYS A 43 -6.880 8.643 6.483 1.00 0.00 C ATOM 695 CG LYS A 43 -8.183 8.574 5.703 1.00 0.00 C ATOM 696 CD LYS A 43 -8.695 7.146 5.598 1.00 0.00 C ATOM 697 CE LYS A 43 -10.059 6.994 6.250 1.00 0.00 C ATOM 698 NZ LYS A 43 -9.977 7.074 7.734 1.00 0.00 N ATOM 0 H LYS A 43 -4.690 6.993 6.317 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.941 9.053 4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.804 7.768 7.128 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.900 9.518 7.133 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.934 9.196 6.191 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.032 8.982 4.704 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.758 6.857 4.549 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.986 6.468 6.073 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.727 7.773 5.881 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.495 6.037 5.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.928 6.966 8.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.360 6.316 8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.585 7.997 8.011 1.00 0.00 H new ATOM 712 N GLY A 44 -3.722 10.152 5.289 1.00 0.00 N ATOM 713 CA GLY A 44 -2.709 11.119 5.680 1.00 0.00 C ATOM 714 C GLY A 44 -2.281 11.972 4.505 1.00 0.00 C ATOM 715 O GLY A 44 -1.293 12.704 4.575 1.00 0.00 O ATOM 0 H GLY A 44 -3.661 9.847 4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.099 11.757 6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.843 10.597 6.088 1.00 0.00 H new ATOM 719 N LEU A 45 -3.037 11.860 3.419 1.00 0.00 N ATOM 720 CA LEU A 45 -2.770 12.599 2.192 1.00 0.00 C ATOM 721 C LEU A 45 -4.003 13.389 1.790 1.00 0.00 C ATOM 722 O LEU A 45 -4.819 13.739 2.639 1.00 0.00 O ATOM 723 CB LEU A 45 -2.399 11.638 1.051 1.00 0.00 C ATOM 724 CG LEU A 45 -1.601 10.393 1.450 1.00 0.00 C ATOM 725 CD1 LEU A 45 -2.449 9.451 2.283 1.00 0.00 C ATOM 726 CD2 LEU A 45 -1.092 9.682 0.210 1.00 0.00 C ATOM 0 H LEU A 45 -3.854 11.252 3.365 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.936 13.276 2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.318 11.314 0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.823 12.192 0.310 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.750 10.709 2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.860 8.575 2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.778 9.961 3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.320 9.139 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.526 8.798 0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.937 9.382 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.447 10.354 -0.356 1.00 0.00 H new ATOM 738 N LYS A 46 -4.139 13.636 0.484 1.00 0.00 N ATOM 739 CA LYS A 46 -5.278 14.351 -0.068 1.00 0.00 C ATOM 740 C LYS A 46 -4.947 14.894 -1.451 1.00 0.00 C ATOM 741 O LYS A 46 -3.776 15.009 -1.809 1.00 0.00 O ATOM 742 CB LYS A 46 -5.699 15.507 0.837 1.00 0.00 C ATOM 743 CG LYS A 46 -4.567 16.461 1.181 1.00 0.00 C ATOM 744 CD LYS A 46 -4.561 16.808 2.662 1.00 0.00 C ATOM 745 CE LYS A 46 -4.164 18.258 2.895 1.00 0.00 C ATOM 746 NZ LYS A 46 -4.571 19.139 1.766 1.00 0.00 N ATOM 0 H LYS A 46 -3.458 13.343 -0.216 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.104 13.643 -0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.497 16.066 0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.113 15.101 1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.613 16.009 0.908 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.667 17.373 0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.551 16.629 3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.868 16.151 3.188 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.623 18.615 3.817 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.084 18.320 3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.598 20.127 2.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.885 19.048 0.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.514 18.859 1.429 1.00 0.00 H new ATOM 760 N PRO A 47 -5.975 15.249 -2.246 1.00 0.00 N ATOM 761 CA PRO A 47 -5.779 15.794 -3.591 1.00 0.00 C ATOM 762 C PRO A 47 -4.854 17.009 -3.590 1.00 0.00 C ATOM 763 O PRO A 47 -4.461 17.505 -4.646 1.00 0.00 O ATOM 764 CB PRO A 47 -7.193 16.173 -4.052 1.00 0.00 C ATOM 765 CG PRO A 47 -8.036 16.154 -2.821 1.00 0.00 C ATOM 766 CD PRO A 47 -7.402 15.158 -1.897 1.00 0.00 C ATOM 0 HA PRO A 47 -5.297 15.075 -4.254 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.202 17.158 -4.518 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.566 15.466 -4.793 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.076 17.141 -2.361 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.062 15.870 -3.056 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.579 15.408 -0.851 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.794 14.153 -2.056 1.00 0.00 H new ATOM 774 N GLY A 48 -4.492 17.468 -2.392 1.00 0.00 N ATOM 775 CA GLY A 48 -3.598 18.602 -2.264 1.00 0.00 C ATOM 776 C GLY A 48 -2.142 18.175 -2.223 1.00 0.00 C ATOM 777 O GLY A 48 -1.302 18.748 -2.918 1.00 0.00 O ATOM 0 H GLY A 48 -4.805 17.071 -1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.753 19.282 -3.101 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.840 19.154 -1.356 1.00 0.00 H new ATOM 781 N VAL A 49 -1.842 17.158 -1.412 1.00 0.00 N ATOM 782 CA VAL A 49 -0.476 16.651 -1.294 1.00 0.00 C ATOM 783 C VAL A 49 -0.358 15.238 -1.832 1.00 0.00 C ATOM 784 O VAL A 49 -1.194 14.383 -1.547 1.00 0.00 O ATOM 785 CB VAL A 49 0.034 16.623 0.156 1.00 0.00 C ATOM 786 CG1 VAL A 49 1.269 17.499 0.298 1.00 0.00 C ATOM 787 CG2 VAL A 49 -1.061 17.021 1.137 1.00 0.00 C ATOM 0 H VAL A 49 -2.524 16.672 -0.830 1.00 0.00 H new ATOM 0 HA VAL A 49 0.128 17.345 -1.878 1.00 0.00 H new ATOM 0 HB VAL A 49 0.319 15.600 0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.619 17.470 1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.054 17.131 -0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.020 18.525 0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.668 16.991 2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.403 18.031 0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.897 16.327 1.051 1.00 0.00 H new ATOM 797 N VAL A 50 0.707 14.992 -2.578 1.00 0.00 N ATOM 798 CA VAL A 50 0.958 13.674 -3.124 1.00 0.00 C ATOM 799 C VAL A 50 2.041 12.972 -2.317 1.00 0.00 C ATOM 800 O VAL A 50 3.176 13.439 -2.255 1.00 0.00 O ATOM 801 CB VAL A 50 1.380 13.741 -4.607 1.00 0.00 C ATOM 802 CG1 VAL A 50 2.517 14.730 -4.804 1.00 0.00 C ATOM 803 CG2 VAL A 50 1.770 12.361 -5.115 1.00 0.00 C ATOM 0 H VAL A 50 1.410 15.691 -2.818 1.00 0.00 H new ATOM 0 HA VAL A 50 0.027 13.110 -3.062 1.00 0.00 H new ATOM 0 HB VAL A 50 0.527 14.091 -5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.796 14.759 -5.857 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.195 15.722 -4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.376 14.420 -4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.064 12.429 -6.162 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.605 11.979 -4.527 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.920 11.685 -5.020 1.00 0.00 H new ATOM 813 N TYR A 51 1.688 11.855 -1.693 1.00 0.00 N ATOM 814 CA TYR A 51 2.645 11.104 -0.895 1.00 0.00 C ATOM 815 C TYR A 51 3.137 9.892 -1.666 1.00 0.00 C ATOM 816 O TYR A 51 2.338 9.080 -2.129 1.00 0.00 O ATOM 817 CB TYR A 51 2.025 10.661 0.428 1.00 0.00 C ATOM 818 CG TYR A 51 1.737 11.805 1.372 1.00 0.00 C ATOM 819 CD1 TYR A 51 0.708 12.703 1.116 1.00 0.00 C ATOM 820 CD2 TYR A 51 2.499 11.989 2.517 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.448 13.751 1.978 1.00 0.00 C ATOM 822 CE2 TYR A 51 2.246 13.035 3.382 1.00 0.00 C ATOM 823 CZ TYR A 51 1.220 13.914 3.109 1.00 0.00 C ATOM 824 OH TYR A 51 0.965 14.960 3.967 1.00 0.00 O ATOM 0 H TYR A 51 0.751 11.452 -1.724 1.00 0.00 H new ATOM 0 HA TYR A 51 3.490 11.758 -0.678 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.097 10.126 0.224 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.698 9.957 0.918 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.103 12.580 0.230 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.304 11.302 2.735 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.357 14.440 1.767 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.849 13.164 4.268 1.00 0.00 H new ATOM 0 HH TYR A 51 1.598 14.931 4.715 1.00 0.00 H new ATOM 834 N GLU A 52 4.448 9.765 -1.797 1.00 0.00 N ATOM 835 CA GLU A 52 5.016 8.639 -2.511 1.00 0.00 C ATOM 836 C GLU A 52 5.005 7.414 -1.615 1.00 0.00 C ATOM 837 O GLU A 52 5.496 7.459 -0.493 1.00 0.00 O ATOM 838 CB GLU A 52 6.442 8.968 -2.967 1.00 0.00 C ATOM 839 CG GLU A 52 7.279 7.748 -3.298 1.00 0.00 C ATOM 840 CD GLU A 52 8.064 7.909 -4.585 1.00 0.00 C ATOM 841 OE1 GLU A 52 8.566 9.025 -4.839 1.00 0.00 O ATOM 842 OE2 GLU A 52 8.179 6.920 -5.338 1.00 0.00 O ATOM 0 H GLU A 52 5.131 10.423 -1.421 1.00 0.00 H new ATOM 0 HA GLU A 52 4.417 8.431 -3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.392 9.611 -3.845 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.941 9.537 -2.183 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.970 7.553 -2.478 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.628 6.877 -3.381 1.00 0.00 H new ATOM 849 N GLY A 53 4.431 6.331 -2.121 1.00 0.00 N ATOM 850 CA GLY A 53 4.340 5.106 -1.349 1.00 0.00 C ATOM 851 C GLY A 53 5.132 3.972 -1.946 1.00 0.00 C ATOM 852 O GLY A 53 5.461 3.990 -3.131 1.00 0.00 O ATOM 0 H GLY A 53 4.025 6.278 -3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.694 5.295 -0.336 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.294 4.809 -1.271 1.00 0.00 H new ATOM 856 N GLN A 54 5.445 2.980 -1.121 1.00 0.00 N ATOM 857 CA GLN A 54 6.213 1.835 -1.587 1.00 0.00 C ATOM 858 C GLN A 54 5.600 0.518 -1.126 1.00 0.00 C ATOM 859 O GLN A 54 5.581 0.212 0.066 1.00 0.00 O ATOM 860 CB GLN A 54 7.658 1.934 -1.100 1.00 0.00 C ATOM 861 CG GLN A 54 8.554 0.829 -1.635 1.00 0.00 C ATOM 862 CD GLN A 54 9.956 1.314 -1.949 1.00 0.00 C ATOM 863 OE1 GLN A 54 10.566 0.891 -2.931 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.479 2.205 -1.113 1.00 0.00 N ATOM 0 H GLN A 54 5.182 2.946 -0.136 1.00 0.00 H new ATOM 0 HA GLN A 54 6.195 1.850 -2.677 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.068 2.899 -1.397 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.669 1.905 -0.010 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.608 0.024 -0.902 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.108 0.410 -2.537 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.939 2.530 -0.311 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.420 2.564 -1.274 1.00 0.00 H new ATOM 873 N LEU A 55 5.123 -0.271 -2.085 1.00 0.00 N ATOM 874 CA LEU A 55 4.537 -1.567 -1.780 1.00 0.00 C ATOM 875 C LEU A 55 5.540 -2.675 -2.078 1.00 0.00 C ATOM 876 O LEU A 55 5.806 -2.987 -3.238 1.00 0.00 O ATOM 877 CB LEU A 55 3.266 -1.781 -2.586 1.00 0.00 C ATOM 878 CG LEU A 55 1.986 -1.740 -1.757 1.00 0.00 C ATOM 879 CD1 LEU A 55 2.012 -2.793 -0.662 1.00 0.00 C ATOM 880 CD2 LEU A 55 1.781 -0.363 -1.155 1.00 0.00 C ATOM 0 H LEU A 55 5.132 -0.034 -3.077 1.00 0.00 H new ATOM 0 HA LEU A 55 4.282 -1.593 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.208 -1.017 -3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.328 -2.745 -3.092 1.00 0.00 H new ATOM 0 HG LEU A 55 1.151 -1.958 -2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.088 -2.742 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.106 -3.782 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.861 -2.611 -0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.863 -0.356 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.626 -0.118 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.707 0.376 -1.953 1.00 0.00 H new ATOM 892 N ILE A 56 6.103 -3.258 -1.026 1.00 0.00 N ATOM 893 CA ILE A 56 7.085 -4.320 -1.186 1.00 0.00 C ATOM 894 C ILE A 56 6.592 -5.635 -0.602 1.00 0.00 C ATOM 895 O ILE A 56 6.328 -5.733 0.595 1.00 0.00 O ATOM 896 CB ILE A 56 8.426 -3.952 -0.518 1.00 0.00 C ATOM 897 CG1 ILE A 56 8.982 -2.663 -1.118 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.432 -5.083 -0.669 1.00 0.00 C ATOM 899 CD1 ILE A 56 10.011 -1.985 -0.241 1.00 0.00 C ATOM 0 H ILE A 56 5.896 -3.014 -0.058 1.00 0.00 H new ATOM 0 HA ILE A 56 7.235 -4.440 -2.259 1.00 0.00 H new ATOM 0 HB ILE A 56 8.246 -3.794 0.545 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.431 -2.886 -2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.159 -1.972 -1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.370 -4.802 -0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.040 -5.984 -0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.608 -5.275 -1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.363 -1.076 -0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.560 -1.731 0.718 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.852 -2.659 -0.079 1.00 0.00 H new ATOM 911 N SER A 57 6.493 -6.656 -1.445 1.00 0.00 N ATOM 912 CA SER A 57 6.054 -7.962 -0.990 1.00 0.00 C ATOM 913 C SER A 57 7.222 -8.703 -0.360 1.00 0.00 C ATOM 914 O SER A 57 8.347 -8.649 -0.853 1.00 0.00 O ATOM 915 CB SER A 57 5.469 -8.780 -2.140 1.00 0.00 C ATOM 916 OG SER A 57 4.863 -7.942 -3.104 1.00 0.00 O ATOM 0 H SER A 57 6.710 -6.602 -2.440 1.00 0.00 H new ATOM 0 HA SER A 57 5.269 -7.822 -0.247 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.257 -9.369 -2.609 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.733 -9.484 -1.752 1.00 0.00 H new ATOM 0 HG SER A 57 4.207 -7.360 -2.666 1.00 0.00 H new ATOM 922 N ILE A 58 6.946 -9.365 0.747 1.00 0.00 N ATOM 923 CA ILE A 58 7.968 -10.108 1.477 1.00 0.00 C ATOM 924 C ILE A 58 7.669 -11.604 1.539 1.00 0.00 C ATOM 925 O ILE A 58 6.567 -12.013 1.916 1.00 0.00 O ATOM 926 CB ILE A 58 8.148 -9.550 2.904 1.00 0.00 C ATOM 927 CG1 ILE A 58 8.913 -8.230 2.844 1.00 0.00 C ATOM 928 CG2 ILE A 58 8.879 -10.549 3.794 1.00 0.00 C ATOM 929 CD1 ILE A 58 8.040 -7.014 3.066 1.00 0.00 C ATOM 0 H ILE A 58 6.017 -9.406 1.167 1.00 0.00 H new ATOM 0 HA ILE A 58 8.897 -9.978 0.922 1.00 0.00 H new ATOM 0 HB ILE A 58 7.163 -9.376 3.338 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.702 -8.243 3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.399 -8.145 1.872 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.992 -10.130 4.794 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.305 -11.474 3.851 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.863 -10.758 3.374 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.650 -6.113 3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.266 -6.977 2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.574 -7.075 4.049 1.00 0.00 H new ATOM 941 N GLN A 59 8.671 -12.411 1.198 1.00 0.00 N ATOM 942 CA GLN A 59 8.543 -13.864 1.238 1.00 0.00 C ATOM 943 C GLN A 59 8.788 -14.371 2.654 1.00 0.00 C ATOM 944 O GLN A 59 8.996 -13.582 3.575 1.00 0.00 O ATOM 945 CB GLN A 59 9.541 -14.517 0.279 1.00 0.00 C ATOM 946 CG GLN A 59 8.900 -15.451 -0.736 1.00 0.00 C ATOM 947 CD GLN A 59 8.083 -16.553 -0.089 1.00 0.00 C ATOM 948 OE1 GLN A 59 6.858 -16.466 -0.005 1.00 0.00 O ATOM 949 NE2 GLN A 59 8.761 -17.596 0.372 1.00 0.00 N ATOM 0 H GLN A 59 9.585 -12.080 0.889 1.00 0.00 H new ATOM 0 HA GLN A 59 7.532 -14.129 0.929 1.00 0.00 H new ATOM 0 HB2 GLN A 59 10.083 -13.735 -0.253 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.275 -15.076 0.859 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.259 -14.872 -1.401 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.679 -15.898 -1.354 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.776 -17.625 0.280 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.267 -18.369 0.818 1.00 0.00 H new ATOM 958 N GLN A 60 8.772 -15.687 2.822 1.00 0.00 N ATOM 959 CA GLN A 60 9.005 -16.284 4.130 1.00 0.00 C ATOM 960 C GLN A 60 10.396 -15.914 4.639 1.00 0.00 C ATOM 961 O GLN A 60 10.617 -15.792 5.845 1.00 0.00 O ATOM 962 CB GLN A 60 8.858 -17.806 4.057 1.00 0.00 C ATOM 963 CG GLN A 60 9.969 -18.488 3.274 1.00 0.00 C ATOM 964 CD GLN A 60 10.374 -19.819 3.878 1.00 0.00 C ATOM 965 OE1 GLN A 60 10.434 -19.969 5.098 1.00 0.00 O ATOM 966 NE2 GLN A 60 10.657 -20.796 3.022 1.00 0.00 N ATOM 0 H GLN A 60 8.601 -16.358 2.073 1.00 0.00 H new ATOM 0 HA GLN A 60 8.261 -15.896 4.825 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.838 -18.210 5.069 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.900 -18.049 3.598 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.641 -18.644 2.246 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.838 -17.831 3.235 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.594 -20.628 2.018 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.937 -21.713 3.369 1.00 0.00 H new ATOM 975 N TYR A 61 11.328 -15.727 3.706 1.00 0.00 N ATOM 976 CA TYR A 61 12.696 -15.362 4.050 1.00 0.00 C ATOM 977 C TYR A 61 12.948 -13.877 3.791 1.00 0.00 C ATOM 978 O TYR A 61 14.021 -13.357 4.100 1.00 0.00 O ATOM 979 CB TYR A 61 13.695 -16.207 3.255 1.00 0.00 C ATOM 980 CG TYR A 61 13.299 -16.437 1.812 1.00 0.00 C ATOM 981 CD1 TYR A 61 13.274 -15.388 0.900 1.00 0.00 C ATOM 982 CD2 TYR A 61 12.952 -17.704 1.361 1.00 0.00 C ATOM 983 CE1 TYR A 61 12.915 -15.596 -0.418 1.00 0.00 C ATOM 984 CE2 TYR A 61 12.593 -17.920 0.044 1.00 0.00 C ATOM 985 CZ TYR A 61 12.575 -16.863 -0.841 1.00 0.00 C ATOM 986 OH TYR A 61 12.218 -17.074 -2.153 1.00 0.00 O ATOM 0 H TYR A 61 11.158 -15.823 2.705 1.00 0.00 H new ATOM 0 HA TYR A 61 12.836 -15.557 5.113 1.00 0.00 H new ATOM 0 HB2 TYR A 61 14.669 -15.718 3.280 1.00 0.00 H new ATOM 0 HB3 TYR A 61 13.811 -17.173 3.747 1.00 0.00 H new ATOM 0 HD1 TYR A 61 13.540 -14.394 1.227 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.963 -18.535 2.051 1.00 0.00 H new ATOM 0 HE1 TYR A 61 12.901 -14.770 -1.113 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.328 -18.912 -0.290 1.00 0.00 H new ATOM 0 HH TYR A 61 12.009 -18.022 -2.287 1.00 0.00 H new ATOM 996 N GLY A 62 11.953 -13.200 3.223 1.00 0.00 N ATOM 997 CA GLY A 62 12.086 -11.782 2.934 1.00 0.00 C ATOM 998 C GLY A 62 12.281 -11.502 1.454 1.00 0.00 C ATOM 999 O GLY A 62 12.729 -12.373 0.709 1.00 0.00 O ATOM 0 H GLY A 62 11.057 -13.608 2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.196 -11.259 3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.932 -11.380 3.490 1.00 0.00 H new ATOM 1003 N HIS A 63 11.944 -10.281 1.033 1.00 0.00 N ATOM 1004 CA HIS A 63 12.082 -9.872 -0.366 1.00 0.00 C ATOM 1005 C HIS A 63 11.136 -10.656 -1.270 1.00 0.00 C ATOM 1006 O HIS A 63 11.007 -11.874 -1.142 1.00 0.00 O ATOM 1007 CB HIS A 63 13.524 -10.059 -0.841 1.00 0.00 C ATOM 1008 CG HIS A 63 14.447 -8.964 -0.404 1.00 0.00 C ATOM 1009 ND1 HIS A 63 15.470 -9.202 0.483 1.00 0.00 N ATOM 1010 CD2 HIS A 63 14.460 -7.656 -0.754 1.00 0.00 C ATOM 1011 CE1 HIS A 63 16.079 -8.041 0.651 1.00 0.00 C ATOM 1012 NE2 HIS A 63 15.502 -7.075 -0.078 1.00 0.00 N ATOM 0 H HIS A 63 11.572 -9.555 1.645 1.00 0.00 H new ATOM 0 HA HIS A 63 11.819 -8.816 -0.426 1.00 0.00 H new ATOM 0 HB2 HIS A 63 13.900 -11.011 -0.466 1.00 0.00 H new ATOM 0 HB3 HIS A 63 13.534 -10.118 -1.929 1.00 0.00 H new ATOM 0 HD2 HIS A 63 13.780 -7.165 -1.435 1.00 0.00 H new ATOM 0 HE1 HIS A 63 16.933 -7.890 1.294 1.00 0.00 H new ATOM 0 HE2 HIS A 63 15.784 -6.096 -0.121 1.00 0.00 H new ATOM 1020 N GLN A 64 10.479 -9.953 -2.191 1.00 0.00 N ATOM 1021 CA GLN A 64 9.548 -10.593 -3.117 1.00 0.00 C ATOM 1022 C GLN A 64 9.175 -9.670 -4.272 1.00 0.00 C ATOM 1023 O GLN A 64 9.350 -10.019 -5.440 1.00 0.00 O ATOM 1024 CB GLN A 64 8.275 -11.023 -2.389 1.00 0.00 C ATOM 1025 CG GLN A 64 8.213 -12.505 -2.082 1.00 0.00 C ATOM 1026 CD GLN A 64 8.669 -13.363 -3.248 1.00 0.00 C ATOM 1027 OE1 GLN A 64 7.894 -13.656 -4.158 1.00 0.00 O ATOM 1028 NE2 GLN A 64 9.932 -13.772 -3.223 1.00 0.00 N ATOM 0 H GLN A 64 10.574 -8.945 -2.315 1.00 0.00 H new ATOM 0 HA GLN A 64 10.054 -11.469 -3.523 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.196 -10.465 -1.456 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.412 -10.752 -2.997 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.836 -12.719 -1.213 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.191 -12.774 -1.815 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.539 -13.505 -2.448 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.295 -14.353 -3.979 1.00 0.00 H new ATOM 1037 N GLU A 65 8.630 -8.505 -3.937 1.00 0.00 N ATOM 1038 CA GLU A 65 8.194 -7.544 -4.944 1.00 0.00 C ATOM 1039 C GLU A 65 8.408 -6.107 -4.476 1.00 0.00 C ATOM 1040 O GLU A 65 8.252 -5.809 -3.298 1.00 0.00 O ATOM 1041 CB GLU A 65 6.713 -7.771 -5.235 1.00 0.00 C ATOM 1042 CG GLU A 65 6.321 -7.514 -6.683 1.00 0.00 C ATOM 1043 CD GLU A 65 6.358 -8.771 -7.530 1.00 0.00 C ATOM 1044 OE1 GLU A 65 5.937 -9.837 -7.032 1.00 0.00 O ATOM 1045 OE2 GLU A 65 6.806 -8.690 -8.694 1.00 0.00 O ATOM 0 H GLU A 65 8.480 -8.203 -2.974 1.00 0.00 H new ATOM 0 HA GLU A 65 8.788 -7.694 -5.846 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.456 -8.798 -4.976 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.122 -7.122 -4.589 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.318 -7.089 -6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.995 -6.772 -7.111 1.00 0.00 H new ATOM 1052 N VAL A 66 8.758 -5.216 -5.402 1.00 0.00 N ATOM 1053 CA VAL A 66 8.973 -3.810 -5.062 1.00 0.00 C ATOM 1054 C VAL A 66 8.302 -2.874 -6.068 1.00 0.00 C ATOM 1055 O VAL A 66 8.600 -2.916 -7.262 1.00 0.00 O ATOM 1056 CB VAL A 66 10.469 -3.458 -4.985 1.00 0.00 C ATOM 1057 CG1 VAL A 66 10.647 -1.989 -4.632 1.00 0.00 C ATOM 1058 CG2 VAL A 66 11.179 -4.348 -3.975 1.00 0.00 C ATOM 0 H VAL A 66 8.898 -5.440 -6.387 1.00 0.00 H new ATOM 0 HA VAL A 66 8.521 -3.669 -4.080 1.00 0.00 H new ATOM 0 HB VAL A 66 10.918 -3.634 -5.962 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.710 -1.753 -4.581 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.175 -1.371 -5.396 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.184 -1.788 -3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.236 -4.083 -3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.733 -4.208 -2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 66 11.078 -5.391 -4.275 1.00 0.00 H new ATOM 1068 N THR A 67 7.405 -2.023 -5.574 1.00 0.00 N ATOM 1069 CA THR A 67 6.703 -1.065 -6.427 1.00 0.00 C ATOM 1070 C THR A 67 6.598 0.303 -5.752 1.00 0.00 C ATOM 1071 O THR A 67 6.044 0.422 -4.661 1.00 0.00 O ATOM 1072 CB THR A 67 5.290 -1.560 -6.785 1.00 0.00 C ATOM 1073 OG1 THR A 67 4.919 -2.645 -5.927 1.00 0.00 O ATOM 1074 CG2 THR A 67 5.227 -2.013 -8.236 1.00 0.00 C ATOM 0 H THR A 67 7.147 -1.977 -4.588 1.00 0.00 H new ATOM 0 HA THR A 67 7.288 -0.970 -7.342 1.00 0.00 H new ATOM 0 HB THR A 67 4.594 -0.733 -6.647 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.018 -2.953 -6.160 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.219 -2.358 -8.466 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.482 -1.179 -8.889 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.934 -2.827 -8.394 1.00 0.00 H new ATOM 1082 N ARG A 68 7.133 1.333 -6.405 1.00 0.00 N ATOM 1083 CA ARG A 68 7.096 2.689 -5.858 1.00 0.00 C ATOM 1084 C ARG A 68 6.136 3.576 -6.649 1.00 0.00 C ATOM 1085 O ARG A 68 6.290 3.748 -7.858 1.00 0.00 O ATOM 1086 CB ARG A 68 8.499 3.300 -5.865 1.00 0.00 C ATOM 1087 CG ARG A 68 9.580 2.350 -6.358 1.00 0.00 C ATOM 1088 CD ARG A 68 9.956 2.630 -7.804 1.00 0.00 C ATOM 1089 NE ARG A 68 9.007 2.036 -8.743 1.00 0.00 N ATOM 1090 CZ ARG A 68 8.502 2.682 -9.789 1.00 0.00 C ATOM 1091 NH1 ARG A 68 8.857 3.936 -10.037 1.00 0.00 N ATOM 1092 NH2 ARG A 68 7.638 2.072 -10.592 1.00 0.00 N ATOM 0 H ARG A 68 7.596 1.256 -7.311 1.00 0.00 H new ATOM 0 HA ARG A 68 6.736 2.629 -4.831 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.495 4.189 -6.495 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.748 3.626 -4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.464 2.445 -5.727 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.231 1.322 -6.265 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.999 3.707 -7.965 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.954 2.238 -8.001 1.00 0.00 H new ATOM 0 HE ARG A 68 8.716 1.071 -8.587 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.521 4.409 -9.424 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.466 4.427 -10.841 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.362 1.108 -10.406 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.250 2.568 -11.395 1.00 0.00 H new ATOM 1106 N PHE A 69 5.142 4.133 -5.956 1.00 0.00 N ATOM 1107 CA PHE A 69 4.147 5.001 -6.591 1.00 0.00 C ATOM 1108 C PHE A 69 3.578 6.021 -5.605 1.00 0.00 C ATOM 1109 O PHE A 69 3.164 5.663 -4.503 1.00 0.00 O ATOM 1110 CB PHE A 69 2.997 4.164 -7.161 1.00 0.00 C ATOM 1111 CG PHE A 69 3.375 3.331 -8.353 1.00 0.00 C ATOM 1112 CD1 PHE A 69 3.469 3.900 -9.612 1.00 0.00 C ATOM 1113 CD2 PHE A 69 3.631 1.975 -8.212 1.00 0.00 C ATOM 1114 CE1 PHE A 69 3.813 3.133 -10.709 1.00 0.00 C ATOM 1115 CE2 PHE A 69 3.975 1.204 -9.306 1.00 0.00 C ATOM 1116 CZ PHE A 69 4.065 1.783 -10.557 1.00 0.00 C ATOM 0 H PHE A 69 5.004 3.999 -4.954 1.00 0.00 H new ATOM 0 HA PHE A 69 4.652 5.537 -7.395 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.617 3.507 -6.378 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.181 4.830 -7.441 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.271 4.954 -9.738 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.561 1.517 -7.237 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.885 3.589 -11.685 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.173 0.150 -9.183 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.332 1.182 -11.414 1.00 0.00 H new ATOM 1126 N ASP A 70 3.541 7.289 -6.019 1.00 0.00 N ATOM 1127 CA ASP A 70 3.005 8.355 -5.183 1.00 0.00 C ATOM 1128 C ASP A 70 1.527 8.568 -5.490 1.00 0.00 C ATOM 1129 O ASP A 70 1.112 8.518 -6.648 1.00 0.00 O ATOM 1130 CB ASP A 70 3.779 9.649 -5.428 1.00 0.00 C ATOM 1131 CG ASP A 70 3.859 10.004 -6.900 1.00 0.00 C ATOM 1132 OD1 ASP A 70 2.864 10.535 -7.437 1.00 0.00 O ATOM 1133 OD2 ASP A 70 4.915 9.749 -7.516 1.00 0.00 O ATOM 0 H ASP A 70 3.878 7.599 -6.931 1.00 0.00 H new ATOM 0 HA ASP A 70 3.111 8.070 -4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.300 10.464 -4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.787 9.548 -5.026 1.00 0.00 H new ATOM 1138 N PHE A 71 0.730 8.775 -4.446 1.00 0.00 N ATOM 1139 CA PHE A 71 -0.706 8.960 -4.610 1.00 0.00 C ATOM 1140 C PHE A 71 -1.256 10.024 -3.658 1.00 0.00 C ATOM 1141 O PHE A 71 -0.614 10.380 -2.670 1.00 0.00 O ATOM 1142 CB PHE A 71 -1.411 7.624 -4.378 1.00 0.00 C ATOM 1143 CG PHE A 71 -1.346 7.148 -2.953 1.00 0.00 C ATOM 1144 CD1 PHE A 71 -0.190 6.568 -2.448 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -2.444 7.279 -2.118 1.00 0.00 C ATOM 1146 CE1 PHE A 71 -0.134 6.129 -1.140 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -2.391 6.840 -0.808 1.00 0.00 C ATOM 1148 CZ PHE A 71 -1.235 6.263 -0.319 1.00 0.00 C ATOM 0 H PHE A 71 1.054 8.819 -3.480 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.895 9.310 -5.625 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.456 7.718 -4.673 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.964 6.869 -5.025 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.675 6.459 -3.085 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.351 7.729 -2.494 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.772 5.681 -0.759 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.253 6.948 -0.167 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.193 5.918 0.703 1.00 0.00 H new ATOM 1158 N THR A 72 -2.449 10.531 -3.974 1.00 0.00 N ATOM 1159 CA THR A 72 -3.100 11.562 -3.160 1.00 0.00 C ATOM 1160 C THR A 72 -4.620 11.403 -3.192 1.00 0.00 C ATOM 1161 O THR A 72 -5.185 11.198 -4.268 1.00 0.00 O ATOM 1162 CB THR A 72 -2.745 12.972 -3.670 1.00 0.00 C ATOM 1163 OG1 THR A 72 -3.938 13.684 -4.000 1.00 0.00 O ATOM 1164 CG2 THR A 72 -1.848 12.907 -4.897 1.00 0.00 C ATOM 0 H THR A 72 -2.987 10.243 -4.791 1.00 0.00 H new ATOM 0 HA THR A 72 -2.740 11.441 -2.138 1.00 0.00 H new ATOM 0 HB THR A 72 -2.209 13.489 -2.874 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.918 13.934 -4.947 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.616 13.918 -5.232 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.924 12.387 -4.645 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.361 12.369 -5.695 1.00 0.00 H new