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 59 GLN : amide:sc= 0.0164 K(o=0.016,f=-4.4!) USER MOD Set 1.2: A 61 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 15 TYR OH : rot 90:sc= 0.186 USER MOD Set 2.2: A 57 SER OG : rot -57:sc= 0.267! USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 172:sc= -0.0178 (180deg=-0.119) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc=-0.00528 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 36 HIS : no HE2:sc= -0.0191 X(o=-0.019,f=-0.52) USER MOD Single : A 38 ASN : amide:sc= -2.36 K(o=-2.4,f=-1.7) 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+ -152:sc= -0.464 (180deg=-1.73!) USER MOD Single : A 51 TYR OH : rot 69:sc= 0.423 USER MOD Single : A 54 GLN : amide:sc= -0.894 K(o=-0.89,f=-0.064) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -8.33! C(o=-8.3!,f=-17!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 123:sc= 0.016 USER MOD ----------------------------------------------------------------- ATOM 142 N HIS A 11 -0.695 -17.670 0.179 1.00 0.00 N ATOM 143 CA HIS A 11 -0.567 -16.216 0.163 1.00 0.00 C ATOM 144 C HIS A 11 0.817 -15.786 0.643 1.00 0.00 C ATOM 145 O HIS A 11 1.608 -16.608 1.107 1.00 0.00 O ATOM 146 CB HIS A 11 -1.645 -15.577 1.044 1.00 0.00 C ATOM 147 CG HIS A 11 -2.908 -15.248 0.309 1.00 0.00 C ATOM 148 ND1 HIS A 11 -3.841 -16.213 0.023 1.00 0.00 N ATOM 149 CD2 HIS A 11 -3.343 -14.056 -0.166 1.00 0.00 C ATOM 150 CE1 HIS A 11 -4.818 -15.594 -0.616 1.00 0.00 C ATOM 151 NE2 HIS A 11 -4.560 -14.285 -0.754 1.00 0.00 N ATOM 0 HA HIS A 11 -0.698 -15.877 -0.865 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.879 -16.255 1.865 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -1.245 -14.665 1.488 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -2.830 -13.108 -0.095 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -5.711 -16.080 -0.981 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -5.155 -13.593 -1.209 1.00 0.00 H new ATOM 159 N ILE A 12 1.102 -14.494 0.531 1.00 0.00 N ATOM 160 CA ILE A 12 2.388 -13.954 0.957 1.00 0.00 C ATOM 161 C ILE A 12 2.459 -13.862 2.477 1.00 0.00 C ATOM 162 O ILE A 12 1.453 -13.594 3.135 1.00 0.00 O ATOM 163 CB ILE A 12 2.638 -12.554 0.357 1.00 0.00 C ATOM 164 CG1 ILE A 12 3.953 -11.973 0.878 1.00 0.00 C ATOM 165 CG2 ILE A 12 1.479 -11.623 0.683 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.074 -12.017 -0.137 1.00 0.00 C ATOM 0 H ILE A 12 0.460 -13.800 0.149 1.00 0.00 H new ATOM 0 HA ILE A 12 3.157 -14.636 0.596 1.00 0.00 H new ATOM 0 HB ILE A 12 2.711 -12.651 -0.726 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.789 -10.939 1.183 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.257 -12.523 1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.670 -10.640 0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.558 -12.029 0.265 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.378 -11.533 1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.977 -11.589 0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.265 -13.051 -0.424 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.789 -11.442 -1.018 1.00 0.00 H new ATOM 178 N SER A 13 3.653 -14.075 3.029 1.00 0.00 N ATOM 179 CA SER A 13 3.847 -14.002 4.473 1.00 0.00 C ATOM 180 C SER A 13 3.322 -12.673 5.006 1.00 0.00 C ATOM 181 O SER A 13 2.624 -12.630 6.019 1.00 0.00 O ATOM 182 CB SER A 13 5.331 -14.161 4.828 1.00 0.00 C ATOM 183 OG SER A 13 5.490 -14.547 6.182 1.00 0.00 O ATOM 0 H SER A 13 4.496 -14.298 2.499 1.00 0.00 H new ATOM 0 HA SER A 13 3.291 -14.816 4.937 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.786 -14.908 4.177 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.854 -13.221 4.650 1.00 0.00 H new ATOM 0 HG SER A 13 6.444 -14.644 6.385 1.00 0.00 H new ATOM 189 N LYS A 14 3.658 -11.595 4.303 1.00 0.00 N ATOM 190 CA LYS A 14 3.222 -10.255 4.680 1.00 0.00 C ATOM 191 C LYS A 14 3.665 -9.224 3.643 1.00 0.00 C ATOM 192 O LYS A 14 4.731 -9.353 3.042 1.00 0.00 O ATOM 193 CB LYS A 14 3.779 -9.877 6.057 1.00 0.00 C ATOM 194 CG LYS A 14 5.261 -10.175 6.221 1.00 0.00 C ATOM 195 CD LYS A 14 5.744 -9.839 7.623 1.00 0.00 C ATOM 196 CE LYS A 14 6.970 -8.941 7.592 1.00 0.00 C ATOM 197 NZ LYS A 14 7.445 -8.602 8.962 1.00 0.00 N ATOM 0 H LYS A 14 4.235 -11.625 3.463 1.00 0.00 H new ATOM 0 HA LYS A 14 2.133 -10.258 4.724 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.610 -8.814 6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.222 -10.415 6.824 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.447 -11.229 6.014 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.832 -9.601 5.491 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.944 -9.345 8.175 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.980 -10.759 8.158 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.770 -9.438 7.043 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.735 -8.024 7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.282 -7.988 8.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.691 -8.105 9.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.694 -9.475 9.469 1.00 0.00 H new ATOM 211 N TYR A 15 2.846 -8.194 3.450 1.00 0.00 N ATOM 212 CA TYR A 15 3.156 -7.129 2.500 1.00 0.00 C ATOM 213 C TYR A 15 3.681 -5.912 3.250 1.00 0.00 C ATOM 214 O TYR A 15 3.373 -5.723 4.426 1.00 0.00 O ATOM 215 CB TYR A 15 1.912 -6.741 1.697 1.00 0.00 C ATOM 216 CG TYR A 15 2.017 -7.019 0.215 1.00 0.00 C ATOM 217 CD1 TYR A 15 2.538 -6.068 -0.655 1.00 0.00 C ATOM 218 CD2 TYR A 15 1.589 -8.230 -0.315 1.00 0.00 C ATOM 219 CE1 TYR A 15 2.631 -6.318 -2.010 1.00 0.00 C ATOM 220 CE2 TYR A 15 1.677 -8.486 -1.670 1.00 0.00 C ATOM 221 CZ TYR A 15 2.200 -7.528 -2.513 1.00 0.00 C ATOM 222 OH TYR A 15 2.291 -7.779 -3.863 1.00 0.00 O ATOM 0 H TYR A 15 1.960 -8.074 3.940 1.00 0.00 H new ATOM 0 HA TYR A 15 3.917 -7.491 1.808 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.053 -7.281 2.096 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.717 -5.679 1.843 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.875 -5.119 -0.265 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.181 -8.983 0.343 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.039 -5.570 -2.673 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.338 -9.431 -2.067 1.00 0.00 H new ATOM 0 HH TYR A 15 3.160 -8.186 -4.062 1.00 0.00 H new ATOM 232 N ILE A 16 4.475 -5.089 2.577 1.00 0.00 N ATOM 233 CA ILE A 16 5.032 -3.903 3.207 1.00 0.00 C ATOM 234 C ILE A 16 4.514 -2.633 2.580 1.00 0.00 C ATOM 235 O ILE A 16 4.287 -2.560 1.372 1.00 0.00 O ATOM 236 CB ILE A 16 6.579 -3.853 3.141 1.00 0.00 C ATOM 237 CG1 ILE A 16 7.160 -3.803 4.556 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.057 -2.636 2.330 1.00 0.00 C ATOM 239 CD1 ILE A 16 6.815 -2.532 5.309 1.00 0.00 C ATOM 0 H ILE A 16 4.745 -5.221 1.602 1.00 0.00 H new ATOM 0 HA ILE A 16 4.715 -3.971 4.248 1.00 0.00 H new ATOM 0 HB ILE A 16 6.930 -4.755 2.640 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.794 -4.661 5.121 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.244 -3.898 4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.147 -2.624 2.299 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.666 -2.699 1.315 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.698 -1.721 2.801 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.260 -2.566 6.304 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.205 -1.671 4.767 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.732 -2.445 5.399 1.00 0.00 H new ATOM 251 N LEU A 17 4.402 -1.616 3.404 1.00 0.00 N ATOM 252 CA LEU A 17 4.003 -0.323 2.932 1.00 0.00 C ATOM 253 C LEU A 17 4.954 0.710 3.497 1.00 0.00 C ATOM 254 O LEU A 17 4.930 1.016 4.688 1.00 0.00 O ATOM 255 CB LEU A 17 2.571 -0.016 3.344 1.00 0.00 C ATOM 256 CG LEU A 17 1.678 0.499 2.215 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.656 -0.555 1.817 1.00 0.00 C ATOM 258 CD2 LEU A 17 0.987 1.788 2.632 1.00 0.00 C ATOM 0 H LEU A 17 4.584 -1.666 4.406 1.00 0.00 H new ATOM 0 HA LEU A 17 4.042 -0.303 1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.125 -0.920 3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.588 0.726 4.143 1.00 0.00 H new ATOM 0 HG LEU A 17 2.304 0.709 1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.030 -0.169 1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.173 -1.452 1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.032 -0.800 2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.355 2.142 1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.373 1.603 3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.737 2.544 2.864 1.00 0.00 H new ATOM 270 N ARG A 18 5.774 1.262 2.623 1.00 0.00 N ATOM 271 CA ARG A 18 6.720 2.284 3.008 1.00 0.00 C ATOM 272 C ARG A 18 6.364 3.526 2.245 1.00 0.00 C ATOM 273 O ARG A 18 6.206 3.479 1.030 1.00 0.00 O ATOM 274 CB ARG A 18 8.154 1.853 2.688 1.00 0.00 C ATOM 275 CG ARG A 18 8.559 0.541 3.337 1.00 0.00 C ATOM 276 CD ARG A 18 9.521 -0.239 2.457 1.00 0.00 C ATOM 277 NE ARG A 18 10.792 -0.499 3.128 1.00 0.00 N ATOM 278 CZ ARG A 18 10.971 -1.471 4.017 1.00 0.00 C ATOM 279 NH1 ARG A 18 9.961 -2.264 4.349 1.00 0.00 N ATOM 280 NH2 ARG A 18 12.160 -1.650 4.577 1.00 0.00 N ATOM 0 H ARG A 18 5.801 1.015 1.634 1.00 0.00 H new ATOM 0 HA ARG A 18 6.671 2.460 4.083 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.264 1.762 1.607 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.840 2.635 3.013 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.026 0.739 4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.671 -0.061 3.530 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.063 -1.185 2.170 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.704 0.318 1.538 1.00 0.00 H new ATOM 0 HE ARG A 18 11.587 0.099 2.902 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.045 -2.129 3.922 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.101 -3.009 5.031 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.939 -1.041 4.326 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.295 -2.396 5.259 1.00 0.00 H new ATOM 294 N TRP A 19 6.196 4.632 2.929 1.00 0.00 N ATOM 295 CA TRP A 19 5.806 5.825 2.220 1.00 0.00 C ATOM 296 C TRP A 19 6.131 7.101 2.966 1.00 0.00 C ATOM 297 O TRP A 19 6.307 7.121 4.181 1.00 0.00 O ATOM 298 CB TRP A 19 4.308 5.740 1.900 1.00 0.00 C ATOM 299 CG TRP A 19 3.436 6.547 2.805 1.00 0.00 C ATOM 300 CD1 TRP A 19 3.273 7.897 2.785 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.603 6.050 3.855 1.00 0.00 C ATOM 302 NE1 TRP A 19 2.391 8.278 3.769 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.963 7.158 4.438 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.339 4.772 4.358 1.00 0.00 C ATOM 305 CZ2 TRP A 19 1.072 7.025 5.501 1.00 0.00 C ATOM 306 CZ3 TRP A 19 1.456 4.642 5.412 1.00 0.00 C ATOM 307 CH2 TRP A 19 0.831 5.763 5.975 1.00 0.00 C ATOM 0 H TRP A 19 6.317 4.731 3.937 1.00 0.00 H new ATOM 0 HA TRP A 19 6.388 5.872 1.300 1.00 0.00 H new ATOM 0 HB2 TRP A 19 4.149 6.070 0.873 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.997 4.697 1.951 1.00 0.00 H new ATOM 0 HD1 TRP A 19 3.764 8.570 2.098 1.00 0.00 H new ATOM 0 HE1 TRP A 19 2.102 9.236 3.969 1.00 0.00 H new ATOM 0 HE3 TRP A 19 2.817 3.903 3.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.588 7.887 5.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 1.244 3.660 5.809 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.146 5.629 6.799 1.00 0.00 H new ATOM 318 N ARG A 20 6.175 8.168 2.193 1.00 0.00 N ATOM 319 CA ARG A 20 6.440 9.492 2.697 1.00 0.00 C ATOM 320 C ARG A 20 5.880 10.496 1.708 1.00 0.00 C ATOM 321 O ARG A 20 5.729 10.185 0.527 1.00 0.00 O ATOM 322 CB ARG A 20 7.947 9.738 2.895 1.00 0.00 C ATOM 323 CG ARG A 20 8.855 8.706 2.253 1.00 0.00 C ATOM 324 CD ARG A 20 8.578 8.546 0.772 1.00 0.00 C ATOM 325 NE ARG A 20 9.754 8.838 -0.042 1.00 0.00 N ATOM 326 CZ ARG A 20 10.186 10.069 -0.305 1.00 0.00 C ATOM 327 NH1 ARG A 20 9.539 11.121 0.179 1.00 0.00 N ATOM 328 NH2 ARG A 20 11.268 10.247 -1.052 1.00 0.00 N ATOM 0 H ARG A 20 6.025 8.135 1.185 1.00 0.00 H new ATOM 0 HA ARG A 20 5.965 9.600 3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.196 10.720 2.492 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.157 9.770 3.964 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.895 8.999 2.397 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.722 7.746 2.752 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.245 7.527 0.574 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.763 9.210 0.482 1.00 0.00 H new ATOM 0 HE ARG A 20 10.275 8.053 -0.432 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.708 10.988 0.755 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.873 12.063 -0.025 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.769 9.440 -1.425 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.599 11.191 -1.254 1.00 0.00 H new ATOM 342 N PRO A 21 5.567 11.707 2.159 1.00 0.00 N ATOM 343 CA PRO A 21 5.025 12.750 1.289 1.00 0.00 C ATOM 344 C PRO A 21 5.925 12.983 0.081 1.00 0.00 C ATOM 345 O PRO A 21 7.038 13.493 0.200 1.00 0.00 O ATOM 346 CB PRO A 21 5.020 13.987 2.198 1.00 0.00 C ATOM 347 CG PRO A 21 5.930 13.619 3.312 1.00 0.00 C ATOM 348 CD PRO A 21 5.698 12.172 3.539 1.00 0.00 C ATOM 0 HA PRO A 21 4.044 12.499 0.885 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.374 14.872 1.669 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.017 14.212 2.560 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.970 13.815 3.052 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.710 14.199 4.208 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.528 11.695 4.061 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.800 11.983 4.128 1.00 0.00 H new ATOM 356 N LYS A 22 5.424 12.573 -1.076 1.00 0.00 N ATOM 357 CA LYS A 22 6.139 12.689 -2.338 1.00 0.00 C ATOM 358 C LYS A 22 6.774 14.066 -2.517 1.00 0.00 C ATOM 359 O LYS A 22 7.976 14.177 -2.759 1.00 0.00 O ATOM 360 CB LYS A 22 5.173 12.406 -3.483 1.00 0.00 C ATOM 361 CG LYS A 22 5.852 12.255 -4.836 1.00 0.00 C ATOM 362 CD LYS A 22 5.805 13.546 -5.635 1.00 0.00 C ATOM 363 CE LYS A 22 6.622 13.439 -6.910 1.00 0.00 C ATOM 364 NZ LYS A 22 6.121 12.355 -7.799 1.00 0.00 N ATOM 0 H LYS A 22 4.502 12.147 -1.165 1.00 0.00 H new ATOM 0 HA LYS A 22 6.950 11.961 -2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.619 11.494 -3.261 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.445 13.215 -3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.890 11.954 -4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.366 11.460 -5.401 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.771 13.785 -5.883 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.184 14.367 -5.026 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.590 14.389 -7.443 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.665 13.249 -6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.614 12.400 -8.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.299 11.432 -7.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.099 12.475 -7.950 1.00 0.00 H new ATOM 378 N ASN A 23 5.959 15.113 -2.417 1.00 0.00 N ATOM 379 CA ASN A 23 6.447 16.478 -2.589 1.00 0.00 C ATOM 380 C ASN A 23 6.826 17.117 -1.255 1.00 0.00 C ATOM 381 O ASN A 23 7.862 17.771 -1.145 1.00 0.00 O ATOM 382 CB ASN A 23 5.388 17.331 -3.289 1.00 0.00 C ATOM 383 CG ASN A 23 5.815 18.777 -3.438 1.00 0.00 C ATOM 384 OD1 ASN A 23 5.451 19.630 -2.630 1.00 0.00 O ATOM 385 ND2 ASN A 23 6.593 19.060 -4.477 1.00 0.00 N ATOM 0 H ASN A 23 4.961 15.043 -2.218 1.00 0.00 H new ATOM 0 HA ASN A 23 7.345 16.431 -3.205 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.182 16.913 -4.274 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.458 17.287 -2.723 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.913 20.017 -4.629 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.871 18.321 -5.122 1.00 0.00 H new ATOM 392 N SER A 24 5.980 16.930 -0.247 1.00 0.00 N ATOM 393 CA SER A 24 6.235 17.499 1.072 1.00 0.00 C ATOM 394 C SER A 24 7.390 16.782 1.762 1.00 0.00 C ATOM 395 O SER A 24 7.633 15.601 1.519 1.00 0.00 O ATOM 396 CB SER A 24 4.976 17.418 1.937 1.00 0.00 C ATOM 397 OG SER A 24 5.284 17.599 3.309 1.00 0.00 O ATOM 0 H SER A 24 5.116 16.392 -0.317 1.00 0.00 H new ATOM 0 HA SER A 24 6.510 18.546 0.941 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.263 18.178 1.618 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.495 16.450 1.794 1.00 0.00 H new ATOM 0 HG SER A 24 4.461 17.544 3.839 1.00 0.00 H new ATOM 403 N VAL A 25 8.102 17.503 2.621 1.00 0.00 N ATOM 404 CA VAL A 25 9.232 16.932 3.342 1.00 0.00 C ATOM 405 C VAL A 25 8.764 16.172 4.581 1.00 0.00 C ATOM 406 O VAL A 25 7.914 16.650 5.331 1.00 0.00 O ATOM 407 CB VAL A 25 10.244 18.021 3.757 1.00 0.00 C ATOM 408 CG1 VAL A 25 9.594 19.040 4.683 1.00 0.00 C ATOM 409 CG2 VAL A 25 11.466 17.396 4.413 1.00 0.00 C ATOM 0 H VAL A 25 7.916 18.483 2.834 1.00 0.00 H new ATOM 0 HA VAL A 25 9.726 16.237 2.663 1.00 0.00 H new ATOM 0 HB VAL A 25 10.570 18.543 2.857 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.327 19.797 4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.757 19.515 4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.232 18.538 5.580 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.167 18.180 4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.159 16.843 5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.948 16.716 3.711 1.00 0.00 H new ATOM 419 N GLY A 26 9.322 14.982 4.785 1.00 0.00 N ATOM 420 CA GLY A 26 8.947 14.174 5.930 1.00 0.00 C ATOM 421 C GLY A 26 9.773 12.909 6.044 1.00 0.00 C ATOM 422 O GLY A 26 10.863 12.819 5.480 1.00 0.00 O ATOM 0 H GLY A 26 10.027 14.564 4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.063 14.763 6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.892 13.910 5.854 1.00 0.00 H new ATOM 426 N ARG A 27 9.253 11.930 6.779 1.00 0.00 N ATOM 427 CA ARG A 27 9.950 10.664 6.970 1.00 0.00 C ATOM 428 C ARG A 27 9.155 9.508 6.373 1.00 0.00 C ATOM 429 O ARG A 27 7.964 9.642 6.087 1.00 0.00 O ATOM 430 CB ARG A 27 10.192 10.413 8.459 1.00 0.00 C ATOM 431 CG ARG A 27 8.912 10.267 9.267 1.00 0.00 C ATOM 432 CD ARG A 27 9.168 10.457 10.752 1.00 0.00 C ATOM 433 NE ARG A 27 9.859 11.713 11.031 1.00 0.00 N ATOM 434 CZ ARG A 27 10.217 12.102 12.250 1.00 0.00 C ATOM 435 NH1 ARG A 27 9.933 11.347 13.302 1.00 0.00 N ATOM 436 NH2 ARG A 27 10.857 13.253 12.419 1.00 0.00 N ATOM 0 H ARG A 27 8.351 11.990 7.252 1.00 0.00 H new ATOM 0 HA ARG A 27 10.909 10.725 6.456 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.790 9.509 8.574 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.778 11.237 8.867 1.00 0.00 H new ATOM 0 HG2 ARG A 27 8.180 10.999 8.926 1.00 0.00 H new ATOM 0 HG3 ARG A 27 8.481 9.281 9.094 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.220 10.438 11.289 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.763 9.624 11.127 1.00 0.00 H new ATOM 0 HE ARG A 27 10.079 12.326 10.246 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.438 10.464 13.177 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.210 11.649 14.236 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.074 13.839 11.613 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.132 13.551 13.355 1.00 0.00 H new ATOM 450 N TRP A 28 9.819 8.370 6.194 1.00 0.00 N ATOM 451 CA TRP A 28 9.170 7.188 5.637 1.00 0.00 C ATOM 452 C TRP A 28 8.108 6.659 6.595 1.00 0.00 C ATOM 453 O TRP A 28 8.049 7.064 7.756 1.00 0.00 O ATOM 454 CB TRP A 28 10.202 6.092 5.357 1.00 0.00 C ATOM 455 CG TRP A 28 10.880 6.237 4.031 1.00 0.00 C ATOM 456 CD1 TRP A 28 12.140 6.708 3.804 1.00 0.00 C ATOM 457 CD2 TRP A 28 10.334 5.915 2.747 1.00 0.00 C ATOM 458 NE1 TRP A 28 12.409 6.704 2.459 1.00 0.00 N ATOM 459 CE2 TRP A 28 11.316 6.220 1.788 1.00 0.00 C ATOM 460 CE3 TRP A 28 9.109 5.401 2.314 1.00 0.00 C ATOM 461 CZ2 TRP A 28 11.111 6.028 0.423 1.00 0.00 C ATOM 462 CZ3 TRP A 28 8.904 5.215 0.958 1.00 0.00 C ATOM 463 CH2 TRP A 28 9.900 5.527 0.028 1.00 0.00 C ATOM 0 H TRP A 28 10.804 8.241 6.426 1.00 0.00 H new ATOM 0 HA TRP A 28 8.692 7.474 4.700 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.955 6.103 6.145 1.00 0.00 H new ATOM 0 HB3 TRP A 28 9.710 5.120 5.400 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.826 7.036 4.571 1.00 0.00 H new ATOM 0 HE1 TRP A 28 13.281 7.011 2.028 1.00 0.00 H new ATOM 0 HE3 TRP A 28 8.335 5.153 3.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 11.880 6.266 -0.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 7.959 4.822 0.613 1.00 0.00 H new ATOM 0 HH2 TRP A 28 9.710 5.370 -1.023 1.00 0.00 H new ATOM 474 N LYS A 29 7.277 5.746 6.105 1.00 0.00 N ATOM 475 CA LYS A 29 6.224 5.157 6.925 1.00 0.00 C ATOM 476 C LYS A 29 6.227 3.645 6.769 1.00 0.00 C ATOM 477 O LYS A 29 6.774 3.124 5.800 1.00 0.00 O ATOM 478 CB LYS A 29 4.860 5.728 6.536 1.00 0.00 C ATOM 479 CG LYS A 29 4.265 6.646 7.590 1.00 0.00 C ATOM 480 CD LYS A 29 4.651 8.096 7.348 1.00 0.00 C ATOM 481 CE LYS A 29 4.157 8.996 8.470 1.00 0.00 C ATOM 482 NZ LYS A 29 3.192 10.017 7.977 1.00 0.00 N ATOM 0 H LYS A 29 7.311 5.398 5.147 1.00 0.00 H new ATOM 0 HA LYS A 29 6.415 5.404 7.969 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.959 6.278 5.600 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.170 4.905 6.351 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.179 6.552 7.585 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.607 6.337 8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.735 8.177 7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.233 8.432 6.399 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.681 8.389 9.240 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.007 9.495 8.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.879 10.611 8.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.653 10.613 7.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.369 9.542 7.555 1.00 0.00 H new ATOM 496 N GLU A 30 5.629 2.937 7.725 1.00 0.00 N ATOM 497 CA GLU A 30 5.594 1.479 7.668 1.00 0.00 C ATOM 498 C GLU A 30 4.205 0.928 7.984 1.00 0.00 C ATOM 499 O GLU A 30 3.643 1.192 9.047 1.00 0.00 O ATOM 500 CB GLU A 30 6.617 0.882 8.641 1.00 0.00 C ATOM 501 CG GLU A 30 7.760 1.825 8.990 1.00 0.00 C ATOM 502 CD GLU A 30 9.087 1.374 8.410 1.00 0.00 C ATOM 503 OE1 GLU A 30 9.090 0.839 7.281 1.00 0.00 O ATOM 504 OE2 GLU A 30 10.123 1.558 9.083 1.00 0.00 O ATOM 0 H GLU A 30 5.168 3.344 8.539 1.00 0.00 H new ATOM 0 HA GLU A 30 5.847 1.191 6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.105 0.592 9.559 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.030 -0.028 8.206 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.527 2.824 8.621 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.848 1.898 10.074 1.00 0.00 H new ATOM 511 N ALA A 31 3.670 0.142 7.053 1.00 0.00 N ATOM 512 CA ALA A 31 2.361 -0.482 7.211 1.00 0.00 C ATOM 513 C ALA A 31 2.382 -1.897 6.640 1.00 0.00 C ATOM 514 O ALA A 31 2.526 -2.083 5.432 1.00 0.00 O ATOM 515 CB ALA A 31 1.287 0.357 6.532 1.00 0.00 C ATOM 0 H ALA A 31 4.131 -0.079 6.170 1.00 0.00 H new ATOM 0 HA ALA A 31 2.125 -0.541 8.274 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.316 -0.122 6.659 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.263 1.350 6.981 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.512 0.445 5.469 1.00 0.00 H new ATOM 521 N THR A 32 2.260 -2.895 7.510 1.00 0.00 N ATOM 522 CA THR A 32 2.288 -4.287 7.071 1.00 0.00 C ATOM 523 C THR A 32 0.887 -4.870 6.914 1.00 0.00 C ATOM 524 O THR A 32 0.051 -4.769 7.814 1.00 0.00 O ATOM 525 CB THR A 32 3.088 -5.170 8.048 1.00 0.00 C ATOM 526 OG1 THR A 32 4.189 -4.431 8.588 1.00 0.00 O ATOM 527 CG2 THR A 32 3.604 -6.421 7.346 1.00 0.00 C ATOM 0 H THR A 32 2.142 -2.768 8.515 1.00 0.00 H new ATOM 0 HA THR A 32 2.778 -4.285 6.097 1.00 0.00 H new ATOM 0 HB THR A 32 2.424 -5.473 8.858 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.691 -4.999 9.209 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.166 -7.030 8.054 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.762 -6.996 6.961 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.254 -6.133 6.520 1.00 0.00 H new ATOM 535 N ILE A 33 0.653 -5.494 5.764 1.00 0.00 N ATOM 536 CA ILE A 33 -0.630 -6.121 5.464 1.00 0.00 C ATOM 537 C ILE A 33 -0.397 -7.479 4.805 1.00 0.00 C ATOM 538 O ILE A 33 0.008 -7.549 3.649 1.00 0.00 O ATOM 539 CB ILE A 33 -1.479 -5.242 4.522 1.00 0.00 C ATOM 540 CG1 ILE A 33 -0.572 -4.368 3.650 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.443 -4.379 5.324 1.00 0.00 C ATOM 542 CD1 ILE A 33 -1.318 -3.587 2.589 1.00 0.00 C ATOM 0 H ILE A 33 1.343 -5.579 5.017 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.170 -6.245 6.403 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.062 -5.893 3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.031 -3.670 4.289 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.172 -5.001 3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.034 -3.765 4.644 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.107 -5.019 5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.879 -3.734 5.998 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.611 -2.992 2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.837 -4.279 1.926 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.043 -2.928 3.065 1.00 0.00 H new ATOM 554 N PRO A 34 -0.629 -8.582 5.534 1.00 0.00 N ATOM 555 CA PRO A 34 -0.412 -9.930 5.006 1.00 0.00 C ATOM 556 C PRO A 34 -1.569 -10.447 4.153 1.00 0.00 C ATOM 557 O PRO A 34 -2.704 -10.544 4.620 1.00 0.00 O ATOM 558 CB PRO A 34 -0.266 -10.764 6.273 1.00 0.00 C ATOM 559 CG PRO A 34 -1.133 -10.076 7.274 1.00 0.00 C ATOM 560 CD PRO A 34 -1.093 -8.608 6.935 1.00 0.00 C ATOM 0 HA PRO A 34 0.446 -9.967 4.335 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.587 -11.793 6.110 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.771 -10.802 6.606 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.153 -10.457 7.231 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.770 -10.251 8.287 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.075 -8.146 7.040 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.414 -8.064 7.591 1.00 0.00 H new ATOM 568 N GLY A 35 -1.257 -10.792 2.905 1.00 0.00 N ATOM 569 CA GLY A 35 -2.256 -11.316 1.987 1.00 0.00 C ATOM 570 C GLY A 35 -3.542 -10.514 1.976 1.00 0.00 C ATOM 571 O GLY A 35 -4.625 -11.078 1.820 1.00 0.00 O ATOM 0 H GLY A 35 -0.320 -10.717 2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.839 -11.334 0.980 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.482 -12.347 2.257 1.00 0.00 H new ATOM 575 N HIS A 36 -3.423 -9.198 2.132 1.00 0.00 N ATOM 576 CA HIS A 36 -4.587 -8.318 2.134 1.00 0.00 C ATOM 577 C HIS A 36 -5.655 -8.826 3.100 1.00 0.00 C ATOM 578 O HIS A 36 -6.646 -9.429 2.686 1.00 0.00 O ATOM 579 CB HIS A 36 -5.163 -8.211 0.719 1.00 0.00 C ATOM 580 CG HIS A 36 -6.212 -7.153 0.574 1.00 0.00 C ATOM 581 ND1 HIS A 36 -7.540 -7.429 0.789 1.00 0.00 N ATOM 582 CD2 HIS A 36 -6.081 -5.848 0.234 1.00 0.00 C ATOM 583 CE1 HIS A 36 -8.184 -6.296 0.576 1.00 0.00 C ATOM 584 NE2 HIS A 36 -7.342 -5.309 0.237 1.00 0.00 N ATOM 0 H HIS A 36 -2.532 -8.718 2.259 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.270 -7.330 2.468 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.352 -8.004 0.021 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.589 -9.174 0.436 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -7.946 -8.325 1.058 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.161 -5.332 0.005 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.254 -6.179 0.664 1.00 0.00 H new ATOM 592 N LEU A 37 -5.445 -8.579 4.389 1.00 0.00 N ATOM 593 CA LEU A 37 -6.389 -9.014 5.415 1.00 0.00 C ATOM 594 C LEU A 37 -7.721 -8.279 5.283 1.00 0.00 C ATOM 595 O LEU A 37 -8.774 -8.823 5.615 1.00 0.00 O ATOM 596 CB LEU A 37 -5.817 -8.801 6.827 1.00 0.00 C ATOM 597 CG LEU A 37 -4.693 -7.763 6.960 1.00 0.00 C ATOM 598 CD1 LEU A 37 -5.095 -6.434 6.340 1.00 0.00 C ATOM 599 CD2 LEU A 37 -4.327 -7.566 8.425 1.00 0.00 C ATOM 0 H LEU A 37 -4.631 -8.081 4.749 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.559 -10.080 5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.634 -8.506 7.485 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.443 -9.758 7.192 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.823 -8.140 6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.279 -5.720 6.450 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.312 -6.577 5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.983 -6.051 6.844 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.529 -6.828 8.505 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.201 -7.216 8.975 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.989 -8.513 8.846 1.00 0.00 H new ATOM 611 N ASN A 38 -7.665 -7.043 4.797 1.00 0.00 N ATOM 612 CA ASN A 38 -8.863 -6.230 4.622 1.00 0.00 C ATOM 613 C ASN A 38 -8.555 -4.990 3.792 1.00 0.00 C ATOM 614 O ASN A 38 -7.400 -4.731 3.452 1.00 0.00 O ATOM 615 CB ASN A 38 -9.423 -5.813 5.985 1.00 0.00 C ATOM 616 CG ASN A 38 -10.823 -5.241 5.890 1.00 0.00 C ATOM 617 OD1 ASN A 38 -11.804 -5.979 5.807 1.00 0.00 O ATOM 618 ND2 ASN A 38 -10.924 -3.915 5.900 1.00 0.00 N ATOM 0 H ASN A 38 -6.800 -6.582 4.517 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.607 -6.828 4.096 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.432 -6.677 6.650 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.762 -5.072 6.434 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -11.841 -3.473 5.837 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -10.084 -3.340 5.970 1.00 0.00 H new ATOM 625 N SER A 39 -9.592 -4.220 3.473 1.00 0.00 N ATOM 626 CA SER A 39 -9.421 -3.003 2.691 1.00 0.00 C ATOM 627 C SER A 39 -8.864 -1.887 3.568 1.00 0.00 C ATOM 628 O SER A 39 -9.581 -1.311 4.388 1.00 0.00 O ATOM 629 CB SER A 39 -10.754 -2.575 2.073 1.00 0.00 C ATOM 630 OG SER A 39 -10.992 -3.246 0.847 1.00 0.00 O ATOM 0 H SER A 39 -10.555 -4.418 3.744 1.00 0.00 H new ATOM 0 HA SER A 39 -8.713 -3.203 1.887 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.565 -2.787 2.770 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.751 -1.498 1.906 1.00 0.00 H new ATOM 0 HG SER A 39 -11.851 -2.954 0.476 1.00 0.00 H new ATOM 636 N TYR A 40 -7.582 -1.589 3.392 1.00 0.00 N ATOM 637 CA TYR A 40 -6.924 -0.547 4.168 1.00 0.00 C ATOM 638 C TYR A 40 -6.479 0.596 3.263 1.00 0.00 C ATOM 639 O TYR A 40 -5.648 0.410 2.374 1.00 0.00 O ATOM 640 CB TYR A 40 -5.723 -1.128 4.922 1.00 0.00 C ATOM 641 CG TYR A 40 -4.806 -0.080 5.515 1.00 0.00 C ATOM 642 CD1 TYR A 40 -5.082 0.495 6.748 1.00 0.00 C ATOM 643 CD2 TYR A 40 -3.663 0.332 4.839 1.00 0.00 C ATOM 644 CE1 TYR A 40 -4.247 1.452 7.292 1.00 0.00 C ATOM 645 CE2 TYR A 40 -2.823 1.288 5.377 1.00 0.00 C ATOM 646 CZ TYR A 40 -3.120 1.845 6.603 1.00 0.00 C ATOM 647 OH TYR A 40 -2.285 2.797 7.143 1.00 0.00 O ATOM 0 H TYR A 40 -6.977 -2.056 2.717 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.637 -0.153 4.893 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.086 -1.773 5.722 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.148 -1.756 4.241 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.964 0.189 7.291 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.428 -0.102 3.878 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.476 1.890 8.252 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.938 1.597 4.840 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.536 2.960 6.532 1.00 0.00 H new ATOM 657 N THR A 41 -7.041 1.779 3.492 1.00 0.00 N ATOM 658 CA THR A 41 -6.705 2.951 2.692 1.00 0.00 C ATOM 659 C THR A 41 -6.065 4.043 3.545 1.00 0.00 C ATOM 660 O THR A 41 -6.461 4.263 4.690 1.00 0.00 O ATOM 661 CB THR A 41 -7.949 3.526 1.990 1.00 0.00 C ATOM 662 OG1 THR A 41 -7.689 4.862 1.542 1.00 0.00 O ATOM 663 CG2 THR A 41 -9.148 3.525 2.928 1.00 0.00 C ATOM 0 H THR A 41 -7.730 1.951 4.224 1.00 0.00 H new ATOM 0 HA THR A 41 -5.989 2.621 1.939 1.00 0.00 H new ATOM 0 HB THR A 41 -8.177 2.895 1.131 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.485 5.218 1.095 1.00 0.00 H new ATOM 0 HG21 THR A 41 -10.015 3.935 2.411 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.363 2.504 3.243 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.926 4.135 3.803 1.00 0.00 H new ATOM 671 N ILE A 42 -5.075 4.724 2.975 1.00 0.00 N ATOM 672 CA ILE A 42 -4.378 5.797 3.676 1.00 0.00 C ATOM 673 C ILE A 42 -5.104 7.126 3.495 1.00 0.00 C ATOM 674 O ILE A 42 -5.508 7.477 2.386 1.00 0.00 O ATOM 675 CB ILE A 42 -2.925 5.943 3.175 1.00 0.00 C ATOM 676 CG1 ILE A 42 -2.164 4.629 3.362 1.00 0.00 C ATOM 677 CG2 ILE A 42 -2.217 7.076 3.904 1.00 0.00 C ATOM 678 CD1 ILE A 42 -1.651 4.037 2.068 1.00 0.00 C ATOM 0 H ILE A 42 -4.737 4.551 2.028 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.364 5.533 4.733 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.950 6.183 2.112 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.322 4.799 4.033 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.819 3.906 3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.194 7.162 3.536 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.747 8.011 3.725 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.202 6.867 4.974 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.122 3.107 2.278 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.490 3.835 1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.970 4.742 1.590 1.00 0.00 H new ATOM 690 N LYS A 43 -5.269 7.860 4.591 1.00 0.00 N ATOM 691 CA LYS A 43 -5.950 9.149 4.550 1.00 0.00 C ATOM 692 C LYS A 43 -5.087 10.245 5.169 1.00 0.00 C ATOM 693 O LYS A 43 -5.527 10.966 6.066 1.00 0.00 O ATOM 694 CB LYS A 43 -7.293 9.063 5.281 1.00 0.00 C ATOM 695 CG LYS A 43 -7.268 8.147 6.494 1.00 0.00 C ATOM 696 CD LYS A 43 -7.978 6.833 6.213 1.00 0.00 C ATOM 697 CE LYS A 43 -9.337 6.780 6.890 1.00 0.00 C ATOM 698 NZ LYS A 43 -9.777 5.381 7.146 1.00 0.00 N ATOM 0 H LYS A 43 -4.941 7.585 5.517 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.128 9.403 3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.590 10.063 5.597 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.054 8.710 4.585 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.235 7.950 6.781 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.744 8.646 7.338 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.101 6.707 5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.363 6.004 6.563 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.294 7.325 7.833 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.074 7.283 6.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.708 5.389 7.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.843 4.867 6.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.087 4.908 7.764 1.00 0.00 H new ATOM 712 N GLY A 44 -3.857 10.367 4.681 1.00 0.00 N ATOM 713 CA GLY A 44 -2.950 11.380 5.190 1.00 0.00 C ATOM 714 C GLY A 44 -2.629 12.437 4.153 1.00 0.00 C ATOM 715 O GLY A 44 -1.837 13.346 4.403 1.00 0.00 O ATOM 0 H GLY A 44 -3.471 9.781 3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.394 11.855 6.065 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.026 10.905 5.519 1.00 0.00 H new ATOM 719 N LEU A 45 -3.250 12.314 2.986 1.00 0.00 N ATOM 720 CA LEU A 45 -3.039 13.259 1.895 1.00 0.00 C ATOM 721 C LEU A 45 -4.272 14.133 1.704 1.00 0.00 C ATOM 722 O LEU A 45 -5.393 13.631 1.606 1.00 0.00 O ATOM 723 CB LEU A 45 -2.704 12.509 0.599 1.00 0.00 C ATOM 724 CG LEU A 45 -2.680 10.985 0.729 1.00 0.00 C ATOM 725 CD1 LEU A 45 -4.094 10.436 0.759 1.00 0.00 C ATOM 726 CD2 LEU A 45 -1.889 10.356 -0.406 1.00 0.00 C ATOM 0 H LEU A 45 -3.908 11.565 2.770 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.197 13.903 2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.434 12.783 -0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.730 12.845 0.243 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.187 10.730 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.061 9.350 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.630 10.857 1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.609 10.706 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.887 9.272 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.348 10.619 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.864 10.725 -0.383 1.00 0.00 H new ATOM 738 N LYS A 46 -4.059 15.444 1.660 1.00 0.00 N ATOM 739 CA LYS A 46 -5.155 16.392 1.489 1.00 0.00 C ATOM 740 C LYS A 46 -5.069 17.070 0.123 1.00 0.00 C ATOM 741 O LYS A 46 -4.028 17.018 -0.526 1.00 0.00 O ATOM 742 CB LYS A 46 -5.133 17.441 2.610 1.00 0.00 C ATOM 743 CG LYS A 46 -4.368 17.012 3.855 1.00 0.00 C ATOM 744 CD LYS A 46 -3.635 18.186 4.484 1.00 0.00 C ATOM 745 CE LYS A 46 -3.683 18.127 6.003 1.00 0.00 C ATOM 746 NZ LYS A 46 -5.055 17.836 6.506 1.00 0.00 N ATOM 0 H LYS A 46 -3.138 15.875 1.740 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.096 15.845 1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.690 18.359 2.224 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.159 17.676 2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.060 16.582 4.579 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.653 16.231 3.594 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.597 18.188 4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.081 19.120 4.141 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.996 17.359 6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.340 19.076 6.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.173 18.251 7.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.757 18.247 5.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.194 16.807 6.560 1.00 0.00 H new ATOM 760 N PRO A 47 -6.163 17.707 -0.343 1.00 0.00 N ATOM 761 CA PRO A 47 -6.191 18.381 -1.644 1.00 0.00 C ATOM 762 C PRO A 47 -5.006 19.321 -1.845 1.00 0.00 C ATOM 763 O PRO A 47 -5.033 20.477 -1.422 1.00 0.00 O ATOM 764 CB PRO A 47 -7.517 19.157 -1.632 1.00 0.00 C ATOM 765 CG PRO A 47 -8.005 19.097 -0.223 1.00 0.00 C ATOM 766 CD PRO A 47 -7.458 17.821 0.341 1.00 0.00 C ATOM 0 HA PRO A 47 -6.119 17.669 -2.466 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.370 20.188 -1.952 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.239 18.710 -2.316 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.658 19.958 0.348 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.094 19.107 -0.185 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.343 17.871 1.424 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.107 16.971 0.128 1.00 0.00 H new ATOM 774 N GLY A 48 -3.963 18.808 -2.499 1.00 0.00 N ATOM 775 CA GLY A 48 -2.776 19.602 -2.754 1.00 0.00 C ATOM 776 C GLY A 48 -1.492 18.872 -2.397 1.00 0.00 C ATOM 777 O GLY A 48 -0.397 19.369 -2.663 1.00 0.00 O ATOM 0 H GLY A 48 -3.922 17.854 -2.856 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.750 19.880 -3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.834 20.528 -2.181 1.00 0.00 H new ATOM 781 N VAL A 49 -1.623 17.696 -1.785 1.00 0.00 N ATOM 782 CA VAL A 49 -0.458 16.910 -1.384 1.00 0.00 C ATOM 783 C VAL A 49 -0.431 15.530 -2.028 1.00 0.00 C ATOM 784 O VAL A 49 -1.448 14.841 -2.098 1.00 0.00 O ATOM 785 CB VAL A 49 -0.379 16.717 0.140 1.00 0.00 C ATOM 786 CG1 VAL A 49 1.018 17.056 0.639 1.00 0.00 C ATOM 787 CG2 VAL A 49 -1.437 17.545 0.853 1.00 0.00 C ATOM 0 H VAL A 49 -2.520 17.268 -1.557 1.00 0.00 H new ATOM 0 HA VAL A 49 0.398 17.490 -1.729 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.580 15.670 0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.063 16.916 1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.745 16.402 0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.249 18.094 0.398 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.357 17.389 1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.286 18.601 0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.427 17.240 0.514 1.00 0.00 H new ATOM 797 N VAL A 50 0.757 15.127 -2.461 1.00 0.00 N ATOM 798 CA VAL A 50 0.960 13.818 -3.064 1.00 0.00 C ATOM 799 C VAL A 50 1.884 12.984 -2.175 1.00 0.00 C ATOM 800 O VAL A 50 2.906 13.481 -1.700 1.00 0.00 O ATOM 801 CB VAL A 50 1.561 13.938 -4.481 1.00 0.00 C ATOM 802 CG1 VAL A 50 2.697 14.949 -4.502 1.00 0.00 C ATOM 803 CG2 VAL A 50 2.030 12.580 -4.986 1.00 0.00 C ATOM 0 H VAL A 50 1.602 15.696 -2.404 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.009 13.328 -3.152 1.00 0.00 H new ATOM 0 HB VAL A 50 0.780 14.295 -5.152 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.105 15.017 -5.510 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.321 15.925 -4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.480 14.630 -3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.450 12.689 -5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.792 12.185 -4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.185 11.893 -5.020 1.00 0.00 H new ATOM 813 N TYR A 51 1.516 11.727 -1.932 1.00 0.00 N ATOM 814 CA TYR A 51 2.320 10.854 -1.078 1.00 0.00 C ATOM 815 C TYR A 51 2.866 9.669 -1.857 1.00 0.00 C ATOM 816 O TYR A 51 2.120 8.971 -2.535 1.00 0.00 O ATOM 817 CB TYR A 51 1.487 10.347 0.099 1.00 0.00 C ATOM 818 CG TYR A 51 1.349 11.351 1.222 1.00 0.00 C ATOM 819 CD1 TYR A 51 0.642 12.533 1.043 1.00 0.00 C ATOM 820 CD2 TYR A 51 1.926 11.114 2.462 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.514 13.449 2.069 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.803 12.025 3.492 1.00 0.00 C ATOM 823 CZ TYR A 51 1.097 13.190 3.292 1.00 0.00 C ATOM 824 OH TYR A 51 0.972 14.100 4.316 1.00 0.00 O ATOM 0 H TYR A 51 0.674 11.293 -2.310 1.00 0.00 H new ATOM 0 HA TYR A 51 3.159 11.441 -0.705 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.494 10.077 -0.260 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.943 9.437 0.490 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.185 12.739 0.086 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.481 10.201 2.624 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.040 14.363 1.914 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.259 11.825 4.450 1.00 0.00 H new ATOM 0 HH TYR A 51 0.040 14.127 4.618 1.00 0.00 H new ATOM 834 N GLU A 52 4.167 9.426 -1.741 1.00 0.00 N ATOM 835 CA GLU A 52 4.781 8.302 -2.428 1.00 0.00 C ATOM 836 C GLU A 52 4.700 7.067 -1.551 1.00 0.00 C ATOM 837 O GLU A 52 5.100 7.105 -0.393 1.00 0.00 O ATOM 838 CB GLU A 52 6.239 8.618 -2.768 1.00 0.00 C ATOM 839 CG GLU A 52 6.910 7.564 -3.633 1.00 0.00 C ATOM 840 CD GLU A 52 8.393 7.822 -3.819 1.00 0.00 C ATOM 841 OE1 GLU A 52 9.167 7.548 -2.877 1.00 0.00 O ATOM 842 OE2 GLU A 52 8.781 8.298 -4.907 1.00 0.00 O ATOM 0 H GLU A 52 4.809 9.988 -1.183 1.00 0.00 H new ATOM 0 HA GLU A 52 4.245 8.116 -3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.282 9.578 -3.282 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.803 8.727 -1.842 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.769 6.583 -3.179 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.424 7.536 -4.608 1.00 0.00 H new ATOM 849 N GLY A 53 4.180 5.978 -2.105 1.00 0.00 N ATOM 850 CA GLY A 53 4.049 4.749 -1.345 1.00 0.00 C ATOM 851 C GLY A 53 4.871 3.620 -1.917 1.00 0.00 C ATOM 852 O GLY A 53 5.192 3.619 -3.106 1.00 0.00 O ATOM 0 H GLY A 53 3.847 5.924 -3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.355 4.930 -0.314 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.000 4.453 -1.319 1.00 0.00 H new ATOM 856 N GLN A 54 5.226 2.660 -1.071 1.00 0.00 N ATOM 857 CA GLN A 54 6.031 1.529 -1.517 1.00 0.00 C ATOM 858 C GLN A 54 5.451 0.200 -1.042 1.00 0.00 C ATOM 859 O GLN A 54 5.427 -0.086 0.154 1.00 0.00 O ATOM 860 CB GLN A 54 7.468 1.683 -1.016 1.00 0.00 C ATOM 861 CG GLN A 54 8.429 0.656 -1.588 1.00 0.00 C ATOM 862 CD GLN A 54 9.863 1.153 -1.638 1.00 0.00 C ATOM 863 OE1 GLN A 54 10.679 0.648 -2.410 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.181 2.147 -0.814 1.00 0.00 N ATOM 0 H GLN A 54 4.973 2.641 -0.083 1.00 0.00 H new ATOM 0 HA GLN A 54 6.023 1.523 -2.607 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.826 2.681 -1.268 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.474 1.607 0.071 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.385 -0.251 -0.985 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.108 0.386 -2.594 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.475 2.538 -0.190 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.131 2.519 -0.806 1.00 0.00 H new ATOM 873 N LEU A 55 5.002 -0.618 -1.990 1.00 0.00 N ATOM 874 CA LEU A 55 4.443 -1.924 -1.666 1.00 0.00 C ATOM 875 C LEU A 55 5.457 -3.019 -1.974 1.00 0.00 C ATOM 876 O LEU A 55 5.713 -3.336 -3.134 1.00 0.00 O ATOM 877 CB LEU A 55 3.153 -2.170 -2.452 1.00 0.00 C ATOM 878 CG LEU A 55 1.861 -1.842 -1.700 1.00 0.00 C ATOM 879 CD1 LEU A 55 0.705 -1.670 -2.672 1.00 0.00 C ATOM 880 CD2 LEU A 55 1.543 -2.926 -0.682 1.00 0.00 C ATOM 0 H LEU A 55 5.015 -0.399 -2.986 1.00 0.00 H new ATOM 0 HA LEU A 55 4.209 -1.943 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.184 -1.576 -3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.124 -3.217 -2.753 1.00 0.00 H new ATOM 0 HG LEU A 55 2.006 -0.902 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.205 -1.437 -2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.928 -0.856 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.562 -2.593 -3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.621 -2.674 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.420 -3.881 -1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.359 -3.001 0.036 1.00 0.00 H new ATOM 892 N ILE A 56 6.033 -3.588 -0.923 1.00 0.00 N ATOM 893 CA ILE A 56 7.024 -4.643 -1.069 1.00 0.00 C ATOM 894 C ILE A 56 6.533 -5.943 -0.446 1.00 0.00 C ATOM 895 O ILE A 56 6.223 -5.988 0.742 1.00 0.00 O ATOM 896 CB ILE A 56 8.363 -4.240 -0.413 1.00 0.00 C ATOM 897 CG1 ILE A 56 8.991 -3.068 -1.166 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.323 -5.417 -0.368 1.00 0.00 C ATOM 899 CD1 ILE A 56 10.174 -2.449 -0.454 1.00 0.00 C ATOM 0 H ILE A 56 5.829 -3.334 0.044 1.00 0.00 H new ATOM 0 HA ILE A 56 7.180 -4.794 -2.137 1.00 0.00 H new ATOM 0 HB ILE A 56 8.160 -3.930 0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.310 -3.410 -2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.232 -2.302 -1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.258 -5.106 0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.879 -6.226 0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.521 -5.764 -1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.566 -1.624 -1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.858 -2.076 0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.952 -3.201 -0.319 1.00 0.00 H new ATOM 911 N SER A 57 6.479 -7.002 -1.245 1.00 0.00 N ATOM 912 CA SER A 57 6.039 -8.293 -0.744 1.00 0.00 C ATOM 913 C SER A 57 7.190 -8.987 -0.030 1.00 0.00 C ATOM 914 O SER A 57 8.319 -8.981 -0.505 1.00 0.00 O ATOM 915 CB SER A 57 5.511 -9.164 -1.881 1.00 0.00 C ATOM 916 OG SER A 57 4.997 -8.368 -2.933 1.00 0.00 O ATOM 0 H SER A 57 6.732 -6.991 -2.233 1.00 0.00 H new ATOM 0 HA SER A 57 5.225 -8.135 -0.036 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.312 -9.800 -2.259 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.730 -9.825 -1.505 1.00 0.00 H new ATOM 0 HG SER A 57 4.294 -7.781 -2.585 1.00 0.00 H new ATOM 922 N ILE A 58 6.894 -9.540 1.132 1.00 0.00 N ATOM 923 CA ILE A 58 7.891 -10.222 1.952 1.00 0.00 C ATOM 924 C ILE A 58 7.546 -11.689 2.209 1.00 0.00 C ATOM 925 O ILE A 58 6.446 -12.007 2.662 1.00 0.00 O ATOM 926 CB ILE A 58 8.079 -9.525 3.312 1.00 0.00 C ATOM 927 CG1 ILE A 58 8.222 -8.015 3.125 1.00 0.00 C ATOM 928 CG2 ILE A 58 9.291 -10.097 4.032 1.00 0.00 C ATOM 929 CD1 ILE A 58 7.152 -7.217 3.835 1.00 0.00 C ATOM 0 H ILE A 58 5.958 -9.532 1.538 1.00 0.00 H new ATOM 0 HA ILE A 58 8.815 -10.175 1.376 1.00 0.00 H new ATOM 0 HB ILE A 58 7.196 -9.708 3.924 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.200 -7.702 3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.191 -7.784 2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.414 -9.596 4.992 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.147 -11.165 4.195 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.182 -9.940 3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 58 7.315 -6.154 3.660 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.172 -7.502 3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.197 -7.419 4.905 1.00 0.00 H new ATOM 941 N GLN A 59 8.513 -12.568 1.981 1.00 0.00 N ATOM 942 CA GLN A 59 8.340 -13.992 2.251 1.00 0.00 C ATOM 943 C GLN A 59 9.465 -14.472 3.153 1.00 0.00 C ATOM 944 O GLN A 59 10.269 -13.671 3.632 1.00 0.00 O ATOM 945 CB GLN A 59 8.288 -14.834 0.977 1.00 0.00 C ATOM 946 CG GLN A 59 6.890 -14.977 0.399 1.00 0.00 C ATOM 947 CD GLN A 59 6.142 -16.166 0.970 1.00 0.00 C ATOM 948 OE1 GLN A 59 5.587 -16.098 2.066 1.00 0.00 O ATOM 949 NE2 GLN A 59 6.128 -17.267 0.228 1.00 0.00 N ATOM 0 H GLN A 59 9.429 -12.320 1.608 1.00 0.00 H new ATOM 0 HA GLN A 59 7.378 -14.119 2.747 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.938 -14.383 0.227 1.00 0.00 H new ATOM 0 HB3 GLN A 59 8.687 -15.826 1.190 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.324 -14.067 0.597 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.957 -15.081 -0.684 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.602 -17.279 -0.675 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.644 -18.100 0.561 1.00 0.00 H new ATOM 958 N GLN A 60 9.517 -15.771 3.390 1.00 0.00 N ATOM 959 CA GLN A 60 10.551 -16.342 4.247 1.00 0.00 C ATOM 960 C GLN A 60 11.923 -16.246 3.587 1.00 0.00 C ATOM 961 O GLN A 60 12.940 -16.582 4.194 1.00 0.00 O ATOM 962 CB GLN A 60 10.248 -17.809 4.576 1.00 0.00 C ATOM 963 CG GLN A 60 8.784 -18.189 4.428 1.00 0.00 C ATOM 964 CD GLN A 60 8.347 -19.224 5.445 1.00 0.00 C ATOM 965 OE1 GLN A 60 7.416 -18.998 6.218 1.00 0.00 O ATOM 966 NE2 GLN A 60 9.018 -20.370 5.448 1.00 0.00 N ATOM 0 H GLN A 60 8.861 -16.450 3.005 1.00 0.00 H new ATOM 0 HA GLN A 60 10.559 -15.765 5.172 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.845 -18.447 3.925 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.564 -18.013 5.599 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.168 -17.296 4.535 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.612 -18.576 3.424 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.783 -20.515 4.789 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.768 -21.106 6.109 1.00 0.00 H new ATOM 975 N TYR A 61 11.940 -15.806 2.332 1.00 0.00 N ATOM 976 CA TYR A 61 13.184 -15.690 1.577 1.00 0.00 C ATOM 977 C TYR A 61 13.658 -14.240 1.488 1.00 0.00 C ATOM 978 O TYR A 61 14.739 -13.965 0.965 1.00 0.00 O ATOM 979 CB TYR A 61 13.000 -16.272 0.169 1.00 0.00 C ATOM 980 CG TYR A 61 11.768 -17.146 0.009 1.00 0.00 C ATOM 981 CD1 TYR A 61 11.520 -18.212 0.872 1.00 0.00 C ATOM 982 CD2 TYR A 61 10.852 -16.906 -1.007 1.00 0.00 C ATOM 983 CE1 TYR A 61 10.398 -19.005 0.725 1.00 0.00 C ATOM 984 CE2 TYR A 61 9.729 -17.695 -1.160 1.00 0.00 C ATOM 985 CZ TYR A 61 9.507 -18.743 -0.292 1.00 0.00 C ATOM 986 OH TYR A 61 8.389 -19.531 -0.441 1.00 0.00 O ATOM 0 H TYR A 61 11.106 -15.524 1.816 1.00 0.00 H new ATOM 0 HA TYR A 61 13.949 -16.257 2.107 1.00 0.00 H new ATOM 0 HB2 TYR A 61 12.944 -15.451 -0.546 1.00 0.00 H new ATOM 0 HB3 TYR A 61 13.883 -16.858 -0.087 1.00 0.00 H new ATOM 0 HD1 TYR A 61 12.217 -18.422 1.670 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.021 -16.087 -1.690 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.221 -19.826 1.404 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.028 -17.492 -1.956 1.00 0.00 H new ATOM 0 HH TYR A 61 7.864 -19.212 -1.204 1.00 0.00 H new ATOM 996 N GLY A 62 12.851 -13.317 2.002 1.00 0.00 N ATOM 997 CA GLY A 62 13.214 -11.908 1.970 1.00 0.00 C ATOM 998 C GLY A 62 13.118 -11.307 0.579 1.00 0.00 C ATOM 999 O GLY A 62 13.092 -12.034 -0.415 1.00 0.00 O ATOM 0 H GLY A 62 11.952 -13.517 2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.562 -11.354 2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.232 -11.791 2.342 1.00 0.00 H new ATOM 1003 N HIS A 63 13.065 -9.973 0.513 1.00 0.00 N ATOM 1004 CA HIS A 63 12.969 -9.252 -0.758 1.00 0.00 C ATOM 1005 C HIS A 63 11.630 -9.522 -1.439 1.00 0.00 C ATOM 1006 O HIS A 63 10.728 -8.685 -1.412 1.00 0.00 O ATOM 1007 CB HIS A 63 14.132 -9.631 -1.683 1.00 0.00 C ATOM 1008 CG HIS A 63 14.073 -8.969 -3.024 1.00 0.00 C ATOM 1009 ND1 HIS A 63 14.470 -7.665 -3.198 1.00 0.00 N ATOM 1010 CD2 HIS A 63 13.657 -9.468 -4.213 1.00 0.00 C ATOM 1011 CE1 HIS A 63 14.290 -7.400 -4.479 1.00 0.00 C ATOM 1012 NE2 HIS A 63 13.799 -8.462 -5.136 1.00 0.00 N ATOM 0 H HIS A 63 13.087 -9.367 1.333 1.00 0.00 H new ATOM 0 HA HIS A 63 13.031 -8.184 -0.547 1.00 0.00 H new ATOM 0 HB2 HIS A 63 15.072 -9.367 -1.198 1.00 0.00 H new ATOM 0 HB3 HIS A 63 14.138 -10.712 -1.821 1.00 0.00 H new ATOM 0 HD2 HIS A 63 13.285 -10.465 -4.399 1.00 0.00 H new ATOM 0 HE1 HIS A 63 14.510 -6.448 -4.940 1.00 0.00 H new ATOM 0 HE2 HIS A 63 13.575 -8.512 -6.130 1.00 0.00 H new ATOM 1020 N GLN A 64 11.511 -10.698 -2.036 1.00 0.00 N ATOM 1021 CA GLN A 64 10.287 -11.111 -2.716 1.00 0.00 C ATOM 1022 C GLN A 64 9.904 -10.170 -3.857 1.00 0.00 C ATOM 1023 O GLN A 64 10.371 -10.329 -4.985 1.00 0.00 O ATOM 1024 CB GLN A 64 9.145 -11.226 -1.722 1.00 0.00 C ATOM 1025 CG GLN A 64 8.996 -12.623 -1.171 1.00 0.00 C ATOM 1026 CD GLN A 64 10.330 -13.234 -0.780 1.00 0.00 C ATOM 1027 OE1 GLN A 64 10.768 -13.109 0.362 1.00 0.00 O ATOM 1028 NE2 GLN A 64 10.979 -13.899 -1.728 1.00 0.00 N ATOM 0 H GLN A 64 12.257 -11.393 -2.064 1.00 0.00 H new ATOM 0 HA GLN A 64 10.482 -12.088 -3.159 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.312 -10.531 -0.899 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.215 -10.929 -2.206 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.341 -12.600 -0.300 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.514 -13.256 -1.916 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.577 -13.977 -2.662 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.879 -14.332 -1.522 1.00 0.00 H new ATOM 1037 N GLU A 65 9.030 -9.209 -3.565 1.00 0.00 N ATOM 1038 CA GLU A 65 8.562 -8.265 -4.575 1.00 0.00 C ATOM 1039 C GLU A 65 8.706 -6.821 -4.112 1.00 0.00 C ATOM 1040 O GLU A 65 8.505 -6.513 -2.940 1.00 0.00 O ATOM 1041 CB GLU A 65 7.096 -8.543 -4.900 1.00 0.00 C ATOM 1042 CG GLU A 65 6.782 -8.524 -6.387 1.00 0.00 C ATOM 1043 CD GLU A 65 5.740 -7.485 -6.752 1.00 0.00 C ATOM 1044 OE1 GLU A 65 6.024 -6.278 -6.600 1.00 0.00 O ATOM 1045 OE2 GLU A 65 4.637 -7.879 -7.186 1.00 0.00 O ATOM 0 H GLU A 65 8.632 -9.064 -2.637 1.00 0.00 H new ATOM 0 HA GLU A 65 9.180 -8.400 -5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.822 -9.516 -4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.475 -7.801 -4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.697 -8.326 -6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.429 -9.509 -6.692 1.00 0.00 H new ATOM 1052 N VAL A 66 9.030 -5.935 -5.048 1.00 0.00 N ATOM 1053 CA VAL A 66 9.171 -4.518 -4.742 1.00 0.00 C ATOM 1054 C VAL A 66 8.446 -3.670 -5.780 1.00 0.00 C ATOM 1055 O VAL A 66 8.679 -3.808 -6.982 1.00 0.00 O ATOM 1056 CB VAL A 66 10.645 -4.078 -4.675 1.00 0.00 C ATOM 1057 CG1 VAL A 66 10.739 -2.574 -4.452 1.00 0.00 C ATOM 1058 CG2 VAL A 66 11.376 -4.834 -3.575 1.00 0.00 C ATOM 0 H VAL A 66 9.200 -6.174 -6.025 1.00 0.00 H new ATOM 0 HA VAL A 66 8.725 -4.367 -3.759 1.00 0.00 H new ATOM 0 HB VAL A 66 11.123 -4.314 -5.626 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.787 -2.278 -4.407 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.250 -2.053 -5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.248 -2.314 -3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.417 -4.511 -3.541 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.901 -4.629 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 66 11.335 -5.904 -3.779 1.00 0.00 H new ATOM 1068 N THR A 67 7.568 -2.795 -5.307 1.00 0.00 N ATOM 1069 CA THR A 67 6.806 -1.925 -6.189 1.00 0.00 C ATOM 1070 C THR A 67 6.749 -0.505 -5.625 1.00 0.00 C ATOM 1071 O THR A 67 6.337 -0.294 -4.484 1.00 0.00 O ATOM 1072 CB THR A 67 5.382 -2.486 -6.418 1.00 0.00 C ATOM 1073 OG1 THR A 67 5.316 -3.126 -7.697 1.00 0.00 O ATOM 1074 CG2 THR A 67 4.318 -1.396 -6.345 1.00 0.00 C ATOM 0 H THR A 67 7.367 -2.670 -4.315 1.00 0.00 H new ATOM 0 HA THR A 67 7.312 -1.888 -7.154 1.00 0.00 H new ATOM 0 HB THR A 67 5.181 -3.204 -5.623 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.414 -3.482 -7.839 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.335 -1.836 -6.512 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.344 -0.927 -5.361 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.514 -0.645 -7.110 1.00 0.00 H new ATOM 1082 N ARG A 68 7.183 0.461 -6.429 1.00 0.00 N ATOM 1083 CA ARG A 68 7.197 1.860 -6.013 1.00 0.00 C ATOM 1084 C ARG A 68 6.177 2.680 -6.797 1.00 0.00 C ATOM 1085 O ARG A 68 6.188 2.685 -8.029 1.00 0.00 O ATOM 1086 CB ARG A 68 8.598 2.453 -6.198 1.00 0.00 C ATOM 1087 CG ARG A 68 9.580 1.509 -6.881 1.00 0.00 C ATOM 1088 CD ARG A 68 10.828 2.238 -7.356 1.00 0.00 C ATOM 1089 NE ARG A 68 11.090 3.446 -6.577 1.00 0.00 N ATOM 1090 CZ ARG A 68 11.590 4.564 -7.096 1.00 0.00 C ATOM 1091 NH1 ARG A 68 11.888 4.626 -8.387 1.00 0.00 N ATOM 1092 NH2 ARG A 68 11.791 5.622 -6.323 1.00 0.00 N ATOM 0 H ARG A 68 7.530 0.300 -7.374 1.00 0.00 H new ATOM 0 HA ARG A 68 6.926 1.899 -4.958 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.520 3.368 -6.785 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.996 2.733 -5.222 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.864 0.716 -6.189 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.093 1.031 -7.731 1.00 0.00 H new ATOM 0 HD2 ARG A 68 11.686 1.569 -7.287 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.714 2.503 -8.407 1.00 0.00 H new ATOM 0 HE ARG A 68 10.878 3.431 -5.579 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.734 3.815 -8.986 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.271 5.485 -8.781 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.562 5.579 -5.330 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.174 6.479 -6.721 1.00 0.00 H new ATOM 1106 N PHE A 69 5.298 3.373 -6.078 1.00 0.00 N ATOM 1107 CA PHE A 69 4.272 4.198 -6.716 1.00 0.00 C ATOM 1108 C PHE A 69 3.778 5.310 -5.792 1.00 0.00 C ATOM 1109 O PHE A 69 3.366 5.058 -4.660 1.00 0.00 O ATOM 1110 CB PHE A 69 3.095 3.327 -7.171 1.00 0.00 C ATOM 1111 CG PHE A 69 2.309 2.719 -6.044 1.00 0.00 C ATOM 1112 CD1 PHE A 69 2.834 1.679 -5.294 1.00 0.00 C ATOM 1113 CD2 PHE A 69 1.040 3.186 -5.736 1.00 0.00 C ATOM 1114 CE1 PHE A 69 2.112 1.118 -4.258 1.00 0.00 C ATOM 1115 CE2 PHE A 69 0.312 2.627 -4.702 1.00 0.00 C ATOM 1116 CZ PHE A 69 0.849 1.592 -3.962 1.00 0.00 C ATOM 0 H PHE A 69 5.274 3.381 -5.058 1.00 0.00 H new ATOM 0 HA PHE A 69 4.728 4.671 -7.586 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.425 3.931 -7.782 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.474 2.528 -7.808 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.820 1.302 -5.522 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.615 3.996 -6.311 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.535 0.310 -3.680 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.676 2.999 -4.473 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.282 1.154 -3.153 1.00 0.00 H new ATOM 1126 N ASP A 70 3.811 6.545 -6.294 1.00 0.00 N ATOM 1127 CA ASP A 70 3.353 7.701 -5.532 1.00 0.00 C ATOM 1128 C ASP A 70 1.904 8.020 -5.889 1.00 0.00 C ATOM 1129 O ASP A 70 1.538 8.043 -7.064 1.00 0.00 O ATOM 1130 CB ASP A 70 4.243 8.915 -5.815 1.00 0.00 C ATOM 1131 CG ASP A 70 5.134 8.714 -7.025 1.00 0.00 C ATOM 1132 OD1 ASP A 70 4.665 8.964 -8.156 1.00 0.00 O ATOM 1133 OD2 ASP A 70 6.300 8.308 -6.841 1.00 0.00 O ATOM 0 H ASP A 70 4.152 6.768 -7.229 1.00 0.00 H new ATOM 0 HA ASP A 70 3.414 7.465 -4.470 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.616 9.792 -5.972 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.863 9.118 -4.942 1.00 0.00 H new ATOM 1138 N PHE A 71 1.077 8.246 -4.873 1.00 0.00 N ATOM 1139 CA PHE A 71 -0.333 8.541 -5.092 1.00 0.00 C ATOM 1140 C PHE A 71 -0.858 9.602 -4.145 1.00 0.00 C ATOM 1141 O PHE A 71 -0.267 9.887 -3.104 1.00 0.00 O ATOM 1142 CB PHE A 71 -1.182 7.296 -4.892 1.00 0.00 C ATOM 1143 CG PHE A 71 -1.290 6.893 -3.449 1.00 0.00 C ATOM 1144 CD1 PHE A 71 -0.263 6.202 -2.824 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -2.417 7.226 -2.711 1.00 0.00 C ATOM 1146 CE1 PHE A 71 -0.360 5.847 -1.492 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -2.518 6.872 -1.380 1.00 0.00 C ATOM 1148 CZ PHE A 71 -1.489 6.181 -0.769 1.00 0.00 C ATOM 0 H PHE A 71 1.359 8.230 -3.893 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.404 8.905 -6.117 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.181 7.474 -5.291 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.753 6.473 -5.464 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.622 5.938 -3.384 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.224 7.768 -3.183 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.446 5.309 -1.016 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.401 7.135 -0.817 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.567 5.903 0.272 1.00 0.00 H new ATOM 1158 N THR A 72 -2.005 10.143 -4.511 1.00 0.00 N ATOM 1159 CA THR A 72 -2.684 11.137 -3.712 1.00 0.00 C ATOM 1160 C THR A 72 -4.191 10.998 -3.897 1.00 0.00 C ATOM 1161 O THR A 72 -4.669 10.902 -5.026 1.00 0.00 O ATOM 1162 CB THR A 72 -2.243 12.562 -4.105 1.00 0.00 C ATOM 1163 OG1 THR A 72 -3.369 13.441 -4.104 1.00 0.00 O ATOM 1164 CG2 THR A 72 -1.595 12.573 -5.482 1.00 0.00 C ATOM 0 H THR A 72 -2.491 9.902 -5.375 1.00 0.00 H new ATOM 0 HA THR A 72 -2.422 10.974 -2.666 1.00 0.00 H new ATOM 0 HB THR A 72 -1.511 12.902 -3.372 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.200 14.188 -3.493 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.294 13.590 -5.734 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.718 11.925 -5.477 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.308 12.212 -6.223 1.00 0.00 H new