USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 569 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 34 LYS NZ :NH3+ -137:sc= 0.641 (180deg=-1.7!) USER MOD Set 1.2: A 53 HIS :FLIP no HD1:sc= 0 F(o=-0.27,f=0.64) USER MOD Set 2.1: A 16 CYS SG : rot 79:sc= -0.49 USER MOD Set 2.2: A 19 CYS SG : rot -80:sc= 0.823 USER MOD Set 2.3: A 21 THR OG1 : rot 107:sc= 1.4 USER MOD Set 2.4: A 41 CYS SG : rot 180:sc= 0.209 USER MOD Set 2.5: A 43 HIS : no HD1:sc= 0 X(o=-0.68,f=-0.69) USER MOD Set 2.6: A 44 CYS SG : rot -64:sc= -2.63! USER MOD Set 3.1: A 11 MET CE :methyl 164:sc= -0.144 (180deg=0) USER MOD Set 3.2: A 26 THR OG1 : rot 140:sc= -0.8 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 166:sc= -2.98 (180deg=-3.54!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -158:sc= -0.0446 (180deg=-0.304) USER MOD Single : A 20 ASN : amide:sc=-0.00074 X(o=-0.00074,f=0) USER MOD Single : A 23 SER OG : rot 90:sc= -1.25 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0454 USER MOD Single : A 25 HIS : no HD1:sc= -0.542 X(o=-0.54,f=-0.43) USER MOD Single : A 27 MET CE :methyl -156:sc= -2.83 (180deg=-5.82!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -117:sc= 0.0379 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -1.78 K(o=-1.8,f=-2.7!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -140:sc= -0.718 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -3.08 K(o=-3.1,f=-3.9) USER MOD Single : A 55 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0251) USER MOD Single : A 58 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.27) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -0.991 F(o=-1.7,f=-0.99) USER MOD Single : A 61 HIS : no HD1:sc= -0.054 X(o=-0.054,f=0.0015) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 66 GLN : amide:sc= -0.0797 X(o=-0.08,f=0) USER MOD Single : A 68 MET CE :methyl -158:sc= -0.148 (180deg=-0.532) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N LYS A 9 -3.090 -19.550 -2.535 1.00 0.00 N ATOM 118 CA LYS A 9 -3.781 -20.640 -1.858 1.00 0.00 C ATOM 119 C LYS A 9 -2.845 -21.362 -0.893 1.00 0.00 C ATOM 120 O LYS A 9 -1.626 -21.205 -0.962 1.00 0.00 O ATOM 121 CB LYS A 9 -4.339 -21.632 -2.881 1.00 0.00 C ATOM 122 CG LYS A 9 -5.035 -20.966 -4.055 1.00 0.00 C ATOM 123 CD LYS A 9 -4.072 -20.712 -5.203 1.00 0.00 C ATOM 124 CE LYS A 9 -4.067 -21.868 -6.192 1.00 0.00 C ATOM 125 NZ LYS A 9 -3.455 -21.481 -7.494 1.00 0.00 N ATOM 0 HA LYS A 9 -4.606 -20.214 -1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.524 -22.252 -3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.043 -22.298 -2.382 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.854 -21.597 -4.399 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.474 -20.022 -3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.352 -19.793 -5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.066 -20.564 -4.810 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.516 -22.707 -5.767 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.089 -22.209 -6.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.470 -22.295 -8.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.995 -20.697 -7.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.472 -21.180 -7.340 1.00 0.00 H new ATOM 139 N MET A 10 -3.423 -22.154 0.004 1.00 0.00 N ATOM 140 CA MET A 10 -2.639 -22.902 0.980 1.00 0.00 C ATOM 141 C MET A 10 -3.447 -24.063 1.551 1.00 0.00 C ATOM 142 O MET A 10 -4.649 -23.940 1.782 1.00 0.00 O ATOM 143 CB MET A 10 -2.180 -21.980 2.111 1.00 0.00 C ATOM 144 CG MET A 10 -3.296 -21.124 2.689 1.00 0.00 C ATOM 145 SD MET A 10 -3.125 -20.866 4.465 1.00 0.00 S ATOM 146 CE MET A 10 -4.248 -22.110 5.097 1.00 0.00 C ATOM 0 H MET A 10 -4.431 -22.294 0.075 1.00 0.00 H new ATOM 0 HA MET A 10 -1.763 -23.307 0.473 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.747 -22.584 2.908 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.389 -21.329 1.739 1.00 0.00 H new ATOM 0 HG2 MET A 10 -3.306 -20.158 2.185 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.256 -21.599 2.486 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.074 -22.249 6.164 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.277 -21.787 4.936 1.00 0.00 H new ATOM 0 HE3 MET A 10 -4.078 -23.052 4.576 1.00 0.00 H new ATOM 156 N MET A 11 -2.778 -25.190 1.775 1.00 0.00 N ATOM 157 CA MET A 11 -3.435 -26.372 2.320 1.00 0.00 C ATOM 158 C MET A 11 -3.194 -26.485 3.822 1.00 0.00 C ATOM 159 O MET A 11 -2.112 -26.158 4.312 1.00 0.00 O ATOM 160 CB MET A 11 -2.930 -27.633 1.615 1.00 0.00 C ATOM 161 CG MET A 11 -3.939 -28.769 1.604 1.00 0.00 C ATOM 162 SD MET A 11 -3.328 -30.234 0.749 1.00 0.00 S ATOM 163 CE MET A 11 -3.970 -29.955 -0.900 1.00 0.00 C ATOM 0 H MET A 11 -1.782 -25.309 1.588 1.00 0.00 H new ATOM 0 HA MET A 11 -4.507 -26.272 2.148 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.665 -27.383 0.588 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.018 -27.973 2.106 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.195 -29.032 2.630 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.857 -28.430 1.124 1.00 0.00 H new ATOM 0 HE1 MET A 11 -3.455 -30.606 -1.606 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.038 -30.174 -0.917 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.809 -28.914 -1.182 1.00 0.00 H new ATOM 173 N ILE A 12 -4.207 -26.948 4.546 1.00 0.00 N ATOM 174 CA ILE A 12 -4.103 -27.104 5.992 1.00 0.00 C ATOM 175 C ILE A 12 -5.026 -28.210 6.493 1.00 0.00 C ATOM 176 O ILE A 12 -6.234 -28.176 6.264 1.00 0.00 O ATOM 177 CB ILE A 12 -4.446 -25.794 6.725 1.00 0.00 C ATOM 178 CG1 ILE A 12 -5.743 -25.199 6.173 1.00 0.00 C ATOM 179 CG2 ILE A 12 -3.303 -24.798 6.593 1.00 0.00 C ATOM 180 CD1 ILE A 12 -6.659 -24.648 7.243 1.00 0.00 C ATOM 0 H ILE A 12 -5.109 -27.222 4.156 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.069 -27.372 6.207 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.590 -26.015 7.783 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.498 -24.402 5.471 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.275 -25.967 5.611 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.561 -23.877 7.116 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.399 -25.222 7.029 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.130 -24.580 5.539 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.558 -24.243 6.779 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.935 -25.446 7.932 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.145 -23.857 7.790 1.00 0.00 H new ATOM 192 N ALA A 13 -4.447 -29.190 7.180 1.00 0.00 N ATOM 193 CA ALA A 13 -5.217 -30.304 7.717 1.00 0.00 C ATOM 194 C ALA A 13 -5.510 -30.105 9.200 1.00 0.00 C ATOM 195 O ALA A 13 -4.630 -29.719 9.970 1.00 0.00 O ATOM 196 CB ALA A 13 -4.475 -31.614 7.495 1.00 0.00 C ATOM 0 H ALA A 13 -3.447 -29.234 7.377 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.169 -30.344 7.188 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.062 -32.438 7.901 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.322 -31.769 6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.509 -31.575 7.998 1.00 0.00 H new ATOM 202 N PHE A 14 -6.751 -30.369 9.595 1.00 0.00 N ATOM 203 CA PHE A 14 -7.160 -30.217 10.986 1.00 0.00 C ATOM 204 C PHE A 14 -7.771 -31.510 11.518 1.00 0.00 C ATOM 205 O PHE A 14 -8.553 -32.169 10.833 1.00 0.00 O ATOM 206 CB PHE A 14 -8.165 -29.071 11.122 1.00 0.00 C ATOM 207 CG PHE A 14 -9.594 -29.531 11.177 1.00 0.00 C ATOM 208 CD1 PHE A 14 -10.312 -29.745 10.012 1.00 0.00 C ATOM 209 CD2 PHE A 14 -10.219 -29.748 12.395 1.00 0.00 C ATOM 210 CE1 PHE A 14 -11.627 -30.168 10.059 1.00 0.00 C ATOM 211 CE2 PHE A 14 -11.533 -30.172 12.448 1.00 0.00 C ATOM 212 CZ PHE A 14 -12.239 -30.381 11.279 1.00 0.00 C ATOM 0 H PHE A 14 -7.491 -30.689 8.971 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.273 -29.985 11.576 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.939 -28.505 12.026 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -8.043 -28.389 10.280 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.839 -29.579 9.055 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.673 -29.584 13.312 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.175 -30.332 9.143 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -12.008 -30.340 13.403 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.267 -30.710 11.319 1.00 0.00 H new ATOM 222 N THR A 15 -7.407 -31.868 12.746 1.00 0.00 N ATOM 223 CA THR A 15 -7.916 -33.083 13.370 1.00 0.00 C ATOM 224 C THR A 15 -9.274 -32.839 14.019 1.00 0.00 C ATOM 225 O THR A 15 -9.373 -32.152 15.036 1.00 0.00 O ATOM 226 CB THR A 15 -6.941 -33.619 14.434 1.00 0.00 C ATOM 227 OG1 THR A 15 -5.615 -33.680 13.897 1.00 0.00 O ATOM 228 CG2 THR A 15 -7.364 -35.000 14.910 1.00 0.00 C ATOM 0 H THR A 15 -6.762 -31.334 13.328 1.00 0.00 H new ATOM 0 HA THR A 15 -8.022 -33.825 12.578 1.00 0.00 H new ATOM 0 HB THR A 15 -6.957 -32.938 15.285 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.001 -34.020 14.580 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.660 -35.357 15.661 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.362 -34.945 15.345 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.374 -35.689 14.065 1.00 0.00 H new ATOM 236 N CYS A 16 -10.318 -33.407 13.425 1.00 0.00 N ATOM 237 CA CYS A 16 -11.672 -33.251 13.946 1.00 0.00 C ATOM 238 C CYS A 16 -11.832 -33.987 15.272 1.00 0.00 C ATOM 239 O CYS A 16 -11.868 -35.217 15.312 1.00 0.00 O ATOM 240 CB CYS A 16 -12.693 -33.771 12.933 1.00 0.00 C ATOM 241 SG CYS A 16 -14.357 -33.097 13.151 1.00 0.00 S ATOM 0 H CYS A 16 -10.253 -33.979 12.583 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.850 -32.189 14.117 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.345 -33.533 11.928 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -12.740 -34.858 13.006 1.00 0.00 H new ATOM 0 HG CYS A 16 -14.412 -31.904 12.639 1.00 0.00 H new ATOM 246 N LYS A 17 -11.927 -33.226 16.357 1.00 0.00 N ATOM 247 CA LYS A 17 -12.084 -33.805 17.686 1.00 0.00 C ATOM 248 C LYS A 17 -13.478 -34.398 17.861 1.00 0.00 C ATOM 249 O LYS A 17 -13.745 -35.108 18.831 1.00 0.00 O ATOM 250 CB LYS A 17 -11.831 -32.743 18.760 1.00 0.00 C ATOM 251 CG LYS A 17 -10.362 -32.402 18.944 1.00 0.00 C ATOM 252 CD LYS A 17 -10.161 -31.382 20.052 1.00 0.00 C ATOM 253 CE LYS A 17 -8.686 -31.096 20.285 1.00 0.00 C ATOM 254 NZ LYS A 17 -8.465 -29.723 20.817 1.00 0.00 N ATOM 0 H LYS A 17 -11.898 -32.207 16.342 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.352 -34.606 17.795 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.376 -31.836 18.498 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.235 -33.095 19.709 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.804 -33.309 19.177 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.959 -32.010 18.010 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.676 -30.457 19.794 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.611 -31.751 20.974 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.281 -31.826 20.985 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.141 -31.215 19.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.447 -29.567 20.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.829 -29.025 20.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.964 -29.617 21.723 1.00 0.00 H new ATOM 268 N LYS A 18 -14.364 -34.102 16.916 1.00 0.00 N ATOM 269 CA LYS A 18 -15.731 -34.608 16.964 1.00 0.00 C ATOM 270 C LYS A 18 -15.769 -36.103 16.663 1.00 0.00 C ATOM 271 O LYS A 18 -16.267 -36.895 17.464 1.00 0.00 O ATOM 272 CB LYS A 18 -16.611 -33.854 15.965 1.00 0.00 C ATOM 273 CG LYS A 18 -16.572 -32.345 16.138 1.00 0.00 C ATOM 274 CD LYS A 18 -17.191 -31.631 14.948 1.00 0.00 C ATOM 275 CE LYS A 18 -17.723 -30.260 15.336 1.00 0.00 C ATOM 276 NZ LYS A 18 -18.921 -30.358 16.214 1.00 0.00 N ATOM 0 H LYS A 18 -14.160 -33.514 16.108 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.116 -34.448 17.971 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.293 -34.104 14.953 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.640 -34.197 16.069 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.106 -32.068 17.047 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.539 -32.019 16.262 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.447 -31.524 14.159 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.002 -32.235 14.541 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.942 -29.699 15.849 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.978 -29.701 14.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -19.466 -29.474 16.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -19.516 -31.152 15.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -18.619 -30.516 17.197 1.00 0.00 H new ATOM 290 N CYS A 19 -15.239 -36.482 15.505 1.00 0.00 N ATOM 291 CA CYS A 19 -15.211 -37.883 15.099 1.00 0.00 C ATOM 292 C CYS A 19 -13.777 -38.392 15.001 1.00 0.00 C ATOM 293 O CYS A 19 -13.510 -39.404 14.354 1.00 0.00 O ATOM 294 CB CYS A 19 -15.921 -38.060 13.756 1.00 0.00 C ATOM 295 SG CYS A 19 -15.351 -36.931 12.465 1.00 0.00 S ATOM 0 H CYS A 19 -14.823 -35.839 14.831 1.00 0.00 H new ATOM 0 HA CYS A 19 -15.733 -38.466 15.857 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.780 -39.086 13.415 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -16.992 -37.917 13.902 1.00 0.00 H new ATOM 0 HG CYS A 19 -15.912 -35.769 12.626 1.00 0.00 H new ATOM 300 N ASN A 20 -12.857 -37.683 15.646 1.00 0.00 N ATOM 301 CA ASN A 20 -11.449 -38.062 15.629 1.00 0.00 C ATOM 302 C ASN A 20 -10.975 -38.333 14.205 1.00 0.00 C ATOM 303 O ASN A 20 -10.115 -39.185 13.975 1.00 0.00 O ATOM 304 CB ASN A 20 -11.222 -39.301 16.499 1.00 0.00 C ATOM 305 CG ASN A 20 -9.843 -39.322 17.128 1.00 0.00 C ATOM 306 OD1 ASN A 20 -9.608 -38.687 18.156 1.00 0.00 O ATOM 307 ND2 ASN A 20 -8.922 -40.053 16.510 1.00 0.00 N ATOM 0 H ASN A 20 -13.061 -36.843 16.187 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.870 -37.231 16.033 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -11.977 -39.333 17.285 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.355 -40.197 15.892 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.975 -40.104 16.886 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -9.162 -40.563 15.660 1.00 0.00 H new ATOM 314 N THR A 21 -11.542 -37.603 13.249 1.00 0.00 N ATOM 315 CA THR A 21 -11.179 -37.765 11.847 1.00 0.00 C ATOM 316 C THR A 21 -10.374 -36.571 11.347 1.00 0.00 C ATOM 317 O THR A 21 -10.725 -35.420 11.607 1.00 0.00 O ATOM 318 CB THR A 21 -12.427 -37.936 10.960 1.00 0.00 C ATOM 319 OG1 THR A 21 -13.254 -38.985 11.475 1.00 0.00 O ATOM 320 CG2 THR A 21 -12.031 -38.253 9.526 1.00 0.00 C ATOM 0 H THR A 21 -12.255 -36.894 13.421 1.00 0.00 H new ATOM 0 HA THR A 21 -10.569 -38.666 11.780 1.00 0.00 H new ATOM 0 HB THR A 21 -12.983 -36.999 10.968 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.049 -38.597 11.897 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.928 -38.370 8.918 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.426 -37.439 9.127 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.455 -39.178 9.504 1.00 0.00 H new ATOM 328 N ARG A 22 -9.292 -36.852 10.627 1.00 0.00 N ATOM 329 CA ARG A 22 -8.437 -35.801 10.091 1.00 0.00 C ATOM 330 C ARG A 22 -8.617 -35.671 8.581 1.00 0.00 C ATOM 331 O ARG A 22 -8.774 -36.668 7.876 1.00 0.00 O ATOM 332 CB ARG A 22 -6.971 -36.091 10.417 1.00 0.00 C ATOM 333 CG ARG A 22 -6.033 -34.943 10.080 1.00 0.00 C ATOM 334 CD ARG A 22 -4.609 -35.238 10.525 1.00 0.00 C ATOM 335 NE ARG A 22 -3.847 -35.936 9.493 1.00 0.00 N ATOM 336 CZ ARG A 22 -2.712 -36.586 9.730 1.00 0.00 C ATOM 337 NH1 ARG A 22 -2.211 -36.626 10.957 1.00 0.00 N ATOM 338 NH2 ARG A 22 -2.077 -37.197 8.738 1.00 0.00 N ATOM 0 H ARG A 22 -8.988 -37.799 10.402 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.726 -34.859 10.557 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.882 -36.322 11.479 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.655 -36.980 9.870 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.049 -34.762 9.005 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.385 -34.031 10.562 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.107 -34.304 10.777 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.630 -35.843 11.431 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.205 -35.924 8.538 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.697 -36.157 11.722 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.340 -37.125 11.136 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.460 -37.168 7.793 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.206 -37.696 8.920 1.00 0.00 H new ATOM 352 N SER A 23 -8.593 -34.436 8.091 1.00 0.00 N ATOM 353 CA SER A 23 -8.757 -34.175 6.666 1.00 0.00 C ATOM 354 C SER A 23 -8.060 -32.878 6.267 1.00 0.00 C ATOM 355 O SER A 23 -7.947 -31.949 7.067 1.00 0.00 O ATOM 356 CB SER A 23 -10.243 -34.099 6.308 1.00 0.00 C ATOM 357 OG SER A 23 -10.974 -35.133 6.945 1.00 0.00 O ATOM 0 H SER A 23 -8.461 -33.600 8.660 1.00 0.00 H new ATOM 0 HA SER A 23 -8.299 -34.997 6.116 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.643 -33.130 6.606 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.365 -34.176 5.228 1.00 0.00 H new ATOM 0 HG SER A 23 -11.288 -34.821 7.819 1.00 0.00 H new ATOM 363 N SER A 24 -7.594 -32.822 5.024 1.00 0.00 N ATOM 364 CA SER A 24 -6.904 -31.641 4.518 1.00 0.00 C ATOM 365 C SER A 24 -7.844 -30.779 3.682 1.00 0.00 C ATOM 366 O SER A 24 -8.718 -31.292 2.981 1.00 0.00 O ATOM 367 CB SER A 24 -5.691 -32.052 3.681 1.00 0.00 C ATOM 368 OG SER A 24 -5.792 -33.403 3.266 1.00 0.00 O ATOM 0 H SER A 24 -7.682 -33.581 4.348 1.00 0.00 H new ATOM 0 HA SER A 24 -6.565 -31.055 5.372 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.612 -31.405 2.807 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.780 -31.914 4.263 1.00 0.00 H new ATOM 0 HG SER A 24 -5.006 -33.641 2.731 1.00 0.00 H new ATOM 374 N HIS A 25 -7.660 -29.465 3.760 1.00 0.00 N ATOM 375 CA HIS A 25 -8.491 -28.530 3.011 1.00 0.00 C ATOM 376 C HIS A 25 -7.656 -27.372 2.472 1.00 0.00 C ATOM 377 O HIS A 25 -6.898 -26.741 3.210 1.00 0.00 O ATOM 378 CB HIS A 25 -9.617 -27.993 3.895 1.00 0.00 C ATOM 379 CG HIS A 25 -10.166 -29.009 4.848 1.00 0.00 C ATOM 380 ND1 HIS A 25 -11.301 -29.748 4.589 1.00 0.00 N ATOM 381 CD2 HIS A 25 -9.728 -29.409 6.065 1.00 0.00 C ATOM 382 CE1 HIS A 25 -11.538 -30.557 5.606 1.00 0.00 C ATOM 383 NE2 HIS A 25 -10.598 -30.372 6.515 1.00 0.00 N ATOM 0 H HIS A 25 -6.942 -29.024 4.335 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.926 -29.066 2.167 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.247 -27.138 4.461 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.425 -27.629 3.260 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.857 -29.040 6.585 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.361 -31.252 5.681 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.529 -30.864 7.406 1.00 0.00 H new ATOM 391 N THR A 26 -7.798 -27.098 1.179 1.00 0.00 N ATOM 392 CA THR A 26 -7.055 -26.018 0.540 1.00 0.00 C ATOM 393 C THR A 26 -7.946 -24.804 0.302 1.00 0.00 C ATOM 394 O THR A 26 -8.980 -24.902 -0.358 1.00 0.00 O ATOM 395 CB THR A 26 -6.451 -26.469 -0.803 1.00 0.00 C ATOM 396 OG1 THR A 26 -6.080 -27.850 -0.734 1.00 0.00 O ATOM 397 CG2 THR A 26 -5.234 -25.629 -1.158 1.00 0.00 C ATOM 0 H THR A 26 -8.421 -27.609 0.553 1.00 0.00 H new ATOM 0 HA THR A 26 -6.247 -25.745 1.219 1.00 0.00 H new ATOM 0 HB THR A 26 -7.205 -26.334 -1.579 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.309 -28.293 -1.578 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.825 -25.966 -2.110 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.526 -24.582 -1.239 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.478 -25.736 -0.380 1.00 0.00 H new ATOM 405 N MET A 27 -7.538 -23.661 0.843 1.00 0.00 N ATOM 406 CA MET A 27 -8.300 -22.427 0.686 1.00 0.00 C ATOM 407 C MET A 27 -7.377 -21.256 0.364 1.00 0.00 C ATOM 408 O MET A 27 -6.166 -21.332 0.573 1.00 0.00 O ATOM 409 CB MET A 27 -9.096 -22.130 1.958 1.00 0.00 C ATOM 410 CG MET A 27 -8.224 -21.802 3.159 1.00 0.00 C ATOM 411 SD MET A 27 -7.664 -23.275 4.034 1.00 0.00 S ATOM 412 CE MET A 27 -9.229 -23.977 4.551 1.00 0.00 C ATOM 0 H MET A 27 -6.685 -23.563 1.394 1.00 0.00 H new ATOM 0 HA MET A 27 -8.993 -22.559 -0.145 1.00 0.00 H new ATOM 0 HB2 MET A 27 -9.769 -21.293 1.769 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.719 -22.992 2.196 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.358 -21.229 2.828 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.783 -21.167 3.846 1.00 0.00 H new ATOM 0 HE1 MET A 27 -9.073 -24.611 5.424 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.922 -23.175 4.805 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.646 -24.573 3.739 1.00 0.00 H new ATOM 422 N SER A 28 -7.957 -20.174 -0.145 1.00 0.00 N ATOM 423 CA SER A 28 -7.186 -18.988 -0.499 1.00 0.00 C ATOM 424 C SER A 28 -6.493 -18.404 0.728 1.00 0.00 C ATOM 425 O SER A 28 -7.135 -18.106 1.735 1.00 0.00 O ATOM 426 CB SER A 28 -8.095 -17.934 -1.135 1.00 0.00 C ATOM 427 OG SER A 28 -7.360 -17.078 -1.993 1.00 0.00 O ATOM 0 H SER A 28 -8.958 -20.094 -0.322 1.00 0.00 H new ATOM 0 HA SER A 28 -6.423 -19.283 -1.220 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.888 -18.425 -1.699 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.577 -17.345 -0.354 1.00 0.00 H new ATOM 0 HG SER A 28 -7.963 -16.415 -2.388 1.00 0.00 H new ATOM 433 N LYS A 29 -5.177 -18.244 0.636 1.00 0.00 N ATOM 434 CA LYS A 29 -4.394 -17.695 1.736 1.00 0.00 C ATOM 435 C LYS A 29 -4.845 -16.277 2.070 1.00 0.00 C ATOM 436 O LYS A 29 -4.748 -15.840 3.217 1.00 0.00 O ATOM 437 CB LYS A 29 -2.905 -17.698 1.381 1.00 0.00 C ATOM 438 CG LYS A 29 -1.995 -17.929 2.575 1.00 0.00 C ATOM 439 CD LYS A 29 -1.353 -16.634 3.045 1.00 0.00 C ATOM 440 CE LYS A 29 -0.307 -16.140 2.058 1.00 0.00 C ATOM 441 NZ LYS A 29 0.208 -14.792 2.423 1.00 0.00 N ATOM 0 H LYS A 29 -4.630 -18.487 -0.190 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.554 -18.324 2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.719 -18.473 0.638 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.649 -16.745 0.918 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.568 -18.369 3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.218 -18.646 2.308 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.121 -15.872 3.174 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.890 -16.789 4.020 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.521 -16.848 2.022 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.739 -16.105 1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.032 -14.114 1.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.224 -14.486 3.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.241 -14.834 2.534 1.00 0.00 H new ATOM 455 N GLN A 30 -5.338 -15.564 1.063 1.00 0.00 N ATOM 456 CA GLN A 30 -5.804 -14.196 1.251 1.00 0.00 C ATOM 457 C GLN A 30 -7.085 -14.166 2.078 1.00 0.00 C ATOM 458 O GLN A 30 -7.233 -13.344 2.982 1.00 0.00 O ATOM 459 CB GLN A 30 -6.041 -13.524 -0.103 1.00 0.00 C ATOM 460 CG GLN A 30 -6.773 -12.196 -0.003 1.00 0.00 C ATOM 461 CD GLN A 30 -6.177 -11.279 1.048 1.00 0.00 C ATOM 462 OE1 GLN A 30 -5.001 -11.394 1.394 1.00 0.00 O ATOM 463 NE2 GLN A 30 -6.988 -10.360 1.560 1.00 0.00 N ATOM 0 H GLN A 30 -5.425 -15.911 0.108 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.032 -13.647 1.790 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.081 -13.364 -0.593 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.615 -14.199 -0.739 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.747 -11.697 -0.972 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.821 -12.380 0.233 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.956 -10.301 1.244 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.643 -9.714 2.270 1.00 0.00 H new ATOM 472 N ALA A 31 -8.008 -15.069 1.763 1.00 0.00 N ATOM 473 CA ALA A 31 -9.276 -15.147 2.477 1.00 0.00 C ATOM 474 C ALA A 31 -9.083 -15.725 3.875 1.00 0.00 C ATOM 475 O ALA A 31 -9.828 -15.401 4.800 1.00 0.00 O ATOM 476 CB ALA A 31 -10.275 -15.983 1.691 1.00 0.00 C ATOM 0 H ALA A 31 -7.901 -15.757 1.018 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.669 -14.136 2.581 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.217 -16.032 2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.444 -15.526 0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.881 -16.990 1.557 1.00 0.00 H new ATOM 482 N TYR A 32 -8.080 -16.584 4.022 1.00 0.00 N ATOM 483 CA TYR A 32 -7.792 -17.210 5.306 1.00 0.00 C ATOM 484 C TYR A 32 -7.037 -16.252 6.223 1.00 0.00 C ATOM 485 O TYR A 32 -7.396 -16.079 7.387 1.00 0.00 O ATOM 486 CB TYR A 32 -6.976 -18.487 5.103 1.00 0.00 C ATOM 487 CG TYR A 32 -6.500 -19.114 6.394 1.00 0.00 C ATOM 488 CD1 TYR A 32 -5.287 -18.746 6.963 1.00 0.00 C ATOM 489 CD2 TYR A 32 -7.265 -20.074 7.046 1.00 0.00 C ATOM 490 CE1 TYR A 32 -4.849 -19.317 8.142 1.00 0.00 C ATOM 491 CE2 TYR A 32 -6.835 -20.649 8.226 1.00 0.00 C ATOM 492 CZ TYR A 32 -5.626 -20.268 8.770 1.00 0.00 C ATOM 493 OH TYR A 32 -5.193 -20.838 9.945 1.00 0.00 O ATOM 0 H TYR A 32 -7.453 -16.862 3.267 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.741 -17.464 5.778 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.581 -19.212 4.558 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.112 -18.260 4.479 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.676 -18.001 6.475 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.212 -20.375 6.623 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.903 -19.020 8.570 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.442 -21.393 8.720 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.857 -21.487 10.258 1.00 0.00 H new ATOM 503 N GLU A 33 -5.991 -15.631 5.686 1.00 0.00 N ATOM 504 CA GLU A 33 -5.186 -14.690 6.456 1.00 0.00 C ATOM 505 C GLU A 33 -5.953 -13.395 6.706 1.00 0.00 C ATOM 506 O GLU A 33 -5.837 -12.786 7.770 1.00 0.00 O ATOM 507 CB GLU A 33 -3.877 -14.386 5.722 1.00 0.00 C ATOM 508 CG GLU A 33 -2.864 -15.516 5.792 1.00 0.00 C ATOM 509 CD GLU A 33 -1.433 -15.022 5.705 1.00 0.00 C ATOM 510 OE1 GLU A 33 -1.228 -13.865 5.283 1.00 0.00 O ATOM 511 OE2 GLU A 33 -0.517 -15.794 6.059 1.00 0.00 O ATOM 0 H GLU A 33 -5.682 -15.762 4.723 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.958 -15.149 7.418 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.098 -14.171 4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.433 -13.485 6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.000 -16.063 6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.052 -16.219 4.980 1.00 0.00 H new ATOM 518 N LYS A 34 -6.738 -12.978 5.718 1.00 0.00 N ATOM 519 CA LYS A 34 -7.526 -11.757 5.830 1.00 0.00 C ATOM 520 C LYS A 34 -8.972 -12.002 5.410 1.00 0.00 C ATOM 521 O LYS A 34 -9.411 -11.534 4.360 1.00 0.00 O ATOM 522 CB LYS A 34 -6.914 -10.650 4.968 1.00 0.00 C ATOM 523 CG LYS A 34 -5.450 -10.384 5.270 1.00 0.00 C ATOM 524 CD LYS A 34 -5.286 -9.353 6.374 1.00 0.00 C ATOM 525 CE LYS A 34 -4.852 -9.999 7.681 1.00 0.00 C ATOM 526 NZ LYS A 34 -5.985 -10.132 8.637 1.00 0.00 N ATOM 0 H LYS A 34 -6.845 -13.469 4.830 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.518 -11.443 6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.016 -10.921 3.917 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.480 -9.730 5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.964 -11.314 5.564 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.949 -10.034 4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.548 -8.609 6.072 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.228 -8.825 6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.431 -10.984 7.477 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.061 -9.402 8.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.668 -9.862 9.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.764 -9.509 8.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.316 -11.118 8.648 1.00 0.00 H new ATOM 540 N GLY A 35 -9.708 -12.737 6.238 1.00 0.00 N ATOM 541 CA GLY A 35 -11.097 -13.030 5.935 1.00 0.00 C ATOM 542 C GLY A 35 -11.592 -14.280 6.635 1.00 0.00 C ATOM 543 O GLY A 35 -10.883 -14.863 7.456 1.00 0.00 O ATOM 0 H GLY A 35 -9.367 -13.135 7.113 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.716 -12.183 6.230 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.213 -13.150 4.858 1.00 0.00 H new ATOM 547 N THR A 36 -12.814 -14.692 6.313 1.00 0.00 N ATOM 548 CA THR A 36 -13.405 -15.878 6.919 1.00 0.00 C ATOM 549 C THR A 36 -13.262 -17.091 6.006 1.00 0.00 C ATOM 550 O THR A 36 -13.333 -16.972 4.783 1.00 0.00 O ATOM 551 CB THR A 36 -14.897 -15.663 7.238 1.00 0.00 C ATOM 552 OG1 THR A 36 -15.089 -14.376 7.836 1.00 0.00 O ATOM 553 CG2 THR A 36 -15.412 -16.745 8.174 1.00 0.00 C ATOM 0 H THR A 36 -13.414 -14.221 5.635 1.00 0.00 H new ATOM 0 HA THR A 36 -12.865 -16.060 7.848 1.00 0.00 H new ATOM 0 HB THR A 36 -15.457 -15.717 6.304 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.748 -14.446 8.558 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.467 -16.572 8.385 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.291 -17.721 7.704 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.847 -16.719 9.106 1.00 0.00 H new ATOM 561 N VAL A 37 -13.062 -18.259 6.609 1.00 0.00 N ATOM 562 CA VAL A 37 -12.912 -19.495 5.850 1.00 0.00 C ATOM 563 C VAL A 37 -13.653 -20.645 6.520 1.00 0.00 C ATOM 564 O VAL A 37 -13.563 -20.834 7.734 1.00 0.00 O ATOM 565 CB VAL A 37 -11.428 -19.878 5.690 1.00 0.00 C ATOM 566 CG1 VAL A 37 -10.752 -18.980 4.666 1.00 0.00 C ATOM 567 CG2 VAL A 37 -10.713 -19.806 7.031 1.00 0.00 C ATOM 0 H VAL A 37 -13.000 -18.375 7.620 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.342 -19.316 4.865 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.372 -20.905 5.329 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.705 -19.266 4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.250 -19.087 3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.816 -17.942 4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.666 -20.079 6.900 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.777 -18.791 7.423 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.183 -20.496 7.732 1.00 0.00 H new ATOM 577 N LEU A 38 -14.387 -21.414 5.723 1.00 0.00 N ATOM 578 CA LEU A 38 -15.146 -22.548 6.239 1.00 0.00 C ATOM 579 C LEU A 38 -14.710 -23.845 5.565 1.00 0.00 C ATOM 580 O LEU A 38 -14.459 -23.876 4.360 1.00 0.00 O ATOM 581 CB LEU A 38 -16.644 -22.326 6.023 1.00 0.00 C ATOM 582 CG LEU A 38 -17.218 -21.028 6.592 1.00 0.00 C ATOM 583 CD1 LEU A 38 -18.250 -20.439 5.642 1.00 0.00 C ATOM 584 CD2 LEU A 38 -17.831 -21.272 7.963 1.00 0.00 C ATOM 0 H LEU A 38 -14.473 -21.273 4.716 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.948 -22.630 7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.844 -22.350 4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.183 -23.163 6.466 1.00 0.00 H new ATOM 0 HG LEU A 38 -16.404 -20.311 6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -18.648 -19.516 6.064 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -17.781 -20.227 4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -19.062 -21.152 5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -18.235 -20.337 8.353 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -18.633 -22.006 7.878 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -17.066 -21.648 8.642 1.00 0.00 H new ATOM 596 N ILE A 39 -14.626 -24.914 6.350 1.00 0.00 N ATOM 597 CA ILE A 39 -14.224 -26.215 5.828 1.00 0.00 C ATOM 598 C ILE A 39 -15.122 -27.324 6.367 1.00 0.00 C ATOM 599 O ILE A 39 -15.500 -27.316 7.538 1.00 0.00 O ATOM 600 CB ILE A 39 -12.761 -26.536 6.183 1.00 0.00 C ATOM 601 CG1 ILE A 39 -12.526 -26.357 7.684 1.00 0.00 C ATOM 602 CG2 ILE A 39 -11.815 -25.652 5.384 1.00 0.00 C ATOM 603 CD1 ILE A 39 -11.534 -27.342 8.263 1.00 0.00 C ATOM 0 H ILE A 39 -14.831 -24.905 7.349 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.323 -26.165 4.744 1.00 0.00 H new ATOM 0 HB ILE A 39 -12.560 -27.576 5.925 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.170 -25.344 7.869 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.477 -26.461 8.207 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.785 -25.891 5.647 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.968 -25.825 4.319 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.014 -24.605 5.614 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.417 -27.156 9.331 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.898 -28.358 8.110 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.571 -27.223 7.766 1.00 0.00 H new ATOM 615 N SER A 40 -15.457 -28.277 5.504 1.00 0.00 N ATOM 616 CA SER A 40 -16.312 -29.393 5.892 1.00 0.00 C ATOM 617 C SER A 40 -15.491 -30.664 6.086 1.00 0.00 C ATOM 618 O SER A 40 -14.605 -30.972 5.288 1.00 0.00 O ATOM 619 CB SER A 40 -17.393 -29.627 4.835 1.00 0.00 C ATOM 620 OG SER A 40 -17.094 -30.763 4.043 1.00 0.00 O ATOM 0 H SER A 40 -15.150 -28.299 4.532 1.00 0.00 H new ATOM 0 HA SER A 40 -16.789 -29.141 6.839 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.359 -29.763 5.322 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.479 -28.747 4.197 1.00 0.00 H new ATOM 0 HG SER A 40 -17.800 -30.892 3.376 1.00 0.00 H new ATOM 626 N CYS A 41 -15.792 -31.398 7.152 1.00 0.00 N ATOM 627 CA CYS A 41 -15.082 -32.636 7.453 1.00 0.00 C ATOM 628 C CYS A 41 -15.723 -33.819 6.734 1.00 0.00 C ATOM 629 O CYS A 41 -16.897 -34.133 6.928 1.00 0.00 O ATOM 630 CB CYS A 41 -15.070 -32.887 8.962 1.00 0.00 C ATOM 631 SG CYS A 41 -14.406 -34.500 9.436 1.00 0.00 S ATOM 0 H CYS A 41 -16.523 -31.157 7.822 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.056 -32.532 7.101 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.481 -32.107 9.445 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.088 -32.799 9.342 1.00 0.00 H new ATOM 0 HG CYS A 41 -14.436 -34.618 10.730 1.00 0.00 H new ATOM 636 N PRO A 42 -14.935 -34.490 5.881 1.00 0.00 N ATOM 637 CA PRO A 42 -15.403 -35.648 5.114 1.00 0.00 C ATOM 638 C PRO A 42 -15.651 -36.866 5.997 1.00 0.00 C ATOM 639 O PRO A 42 -14.950 -37.873 5.894 1.00 0.00 O ATOM 640 CB PRO A 42 -14.254 -35.918 4.140 1.00 0.00 C ATOM 641 CG PRO A 42 -13.048 -35.361 4.815 1.00 0.00 C ATOM 642 CD PRO A 42 -13.525 -34.170 5.599 1.00 0.00 C ATOM 0 HA PRO A 42 -16.357 -35.453 4.624 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.142 -36.985 3.946 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.428 -35.435 3.178 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.591 -36.102 5.471 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.292 -35.071 4.086 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.952 -34.037 6.517 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.429 -33.247 5.027 1.00 0.00 H new ATOM 650 N HIS A 43 -16.654 -36.768 6.864 1.00 0.00 N ATOM 651 CA HIS A 43 -16.995 -37.864 7.765 1.00 0.00 C ATOM 652 C HIS A 43 -18.260 -37.544 8.555 1.00 0.00 C ATOM 653 O HIS A 43 -19.308 -38.156 8.342 1.00 0.00 O ATOM 654 CB HIS A 43 -15.837 -38.142 8.725 1.00 0.00 C ATOM 655 CG HIS A 43 -15.948 -39.458 9.431 1.00 0.00 C ATOM 656 ND1 HIS A 43 -15.554 -40.652 8.864 1.00 0.00 N ATOM 657 CD2 HIS A 43 -16.410 -39.764 10.666 1.00 0.00 C ATOM 658 CE1 HIS A 43 -15.771 -41.635 9.719 1.00 0.00 C ATOM 659 NE2 HIS A 43 -16.289 -41.123 10.821 1.00 0.00 N ATOM 0 H HIS A 43 -17.244 -35.942 6.962 1.00 0.00 H new ATOM 0 HA HIS A 43 -17.179 -38.753 7.162 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -14.900 -38.115 8.169 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -15.791 -37.344 9.466 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -16.801 -39.069 11.394 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -15.561 -42.680 9.546 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -16.556 -41.651 11.652 1.00 0.00 H new ATOM 667 N CYS A 44 -18.156 -36.583 9.466 1.00 0.00 N ATOM 668 CA CYS A 44 -19.292 -36.184 10.289 1.00 0.00 C ATOM 669 C CYS A 44 -20.241 -35.282 9.505 1.00 0.00 C ATOM 670 O CYS A 44 -21.316 -34.925 9.987 1.00 0.00 O ATOM 671 CB CYS A 44 -18.808 -35.463 11.548 1.00 0.00 C ATOM 672 SG CYS A 44 -17.758 -34.028 11.220 1.00 0.00 S ATOM 0 H CYS A 44 -17.297 -36.066 9.653 1.00 0.00 H new ATOM 0 HA CYS A 44 -19.833 -37.085 10.580 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -19.675 -35.141 12.125 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -18.256 -36.169 12.169 1.00 0.00 H new ATOM 0 HG CYS A 44 -16.656 -34.418 10.650 1.00 0.00 H new ATOM 677 N LYS A 45 -19.835 -34.916 8.294 1.00 0.00 N ATOM 678 CA LYS A 45 -20.647 -34.055 7.442 1.00 0.00 C ATOM 679 C LYS A 45 -21.044 -32.779 8.178 1.00 0.00 C ATOM 680 O LYS A 45 -22.142 -32.683 8.726 1.00 0.00 O ATOM 681 CB LYS A 45 -21.900 -34.800 6.978 1.00 0.00 C ATOM 682 CG LYS A 45 -22.473 -34.271 5.674 1.00 0.00 C ATOM 683 CD LYS A 45 -23.728 -35.027 5.270 1.00 0.00 C ATOM 684 CE LYS A 45 -24.886 -34.729 6.211 1.00 0.00 C ATOM 685 NZ LYS A 45 -26.199 -35.076 5.602 1.00 0.00 N ATOM 0 H LYS A 45 -18.948 -35.202 7.880 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.051 -33.780 6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -21.661 -35.857 6.858 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.662 -34.732 7.754 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -22.704 -33.211 5.780 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -21.725 -34.357 4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -24.006 -34.755 4.252 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -23.525 -36.098 5.269 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -24.755 -35.290 7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -24.876 -33.672 6.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -26.962 -34.858 6.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -26.335 -34.522 4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -26.218 -36.090 5.373 1.00 0.00 H new ATOM 699 N VAL A 46 -20.143 -31.801 8.186 1.00 0.00 N ATOM 700 CA VAL A 46 -20.401 -30.530 8.852 1.00 0.00 C ATOM 701 C VAL A 46 -19.256 -29.549 8.626 1.00 0.00 C ATOM 702 O VAL A 46 -18.095 -29.946 8.526 1.00 0.00 O ATOM 703 CB VAL A 46 -20.606 -30.722 10.367 1.00 0.00 C ATOM 704 CG1 VAL A 46 -19.281 -31.025 11.051 1.00 0.00 C ATOM 705 CG2 VAL A 46 -21.260 -29.491 10.975 1.00 0.00 C ATOM 0 H VAL A 46 -19.228 -31.865 7.739 1.00 0.00 H new ATOM 0 HA VAL A 46 -21.315 -30.124 8.417 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.270 -31.572 10.522 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.445 -31.157 12.120 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.856 -31.938 10.633 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.591 -30.197 10.890 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.398 -29.643 12.045 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.623 -28.622 10.811 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -22.229 -29.324 10.505 1.00 0.00 H new ATOM 715 N ARG A 47 -19.591 -28.266 8.546 1.00 0.00 N ATOM 716 CA ARG A 47 -18.592 -27.227 8.330 1.00 0.00 C ATOM 717 C ARG A 47 -18.135 -26.628 9.657 1.00 0.00 C ATOM 718 O ARG A 47 -18.898 -26.576 10.622 1.00 0.00 O ATOM 719 CB ARG A 47 -19.155 -26.126 7.428 1.00 0.00 C ATOM 720 CG ARG A 47 -19.201 -26.508 5.958 1.00 0.00 C ATOM 721 CD ARG A 47 -20.340 -27.473 5.668 1.00 0.00 C ATOM 722 NE ARG A 47 -21.237 -26.966 4.633 1.00 0.00 N ATOM 723 CZ ARG A 47 -22.188 -27.697 4.062 1.00 0.00 C ATOM 724 NH1 ARG A 47 -22.366 -28.960 4.425 1.00 0.00 N ATOM 725 NH2 ARG A 47 -22.964 -27.164 3.127 1.00 0.00 N ATOM 0 H ARG A 47 -20.547 -27.921 8.628 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.731 -27.683 7.841 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -20.162 -25.875 7.761 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.548 -25.228 7.543 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -19.320 -25.610 5.351 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.254 -26.964 5.670 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -19.931 -28.433 5.354 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.906 -27.651 6.582 1.00 0.00 H new ATOM 0 HE ARG A 47 -21.127 -25.998 4.332 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -21.772 -29.372 5.144 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -23.097 -29.519 3.985 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.831 -26.193 2.846 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.694 -27.726 2.689 1.00 0.00 H new ATOM 739 N HIS A 48 -16.885 -26.177 9.698 1.00 0.00 N ATOM 740 CA HIS A 48 -16.326 -25.582 10.906 1.00 0.00 C ATOM 741 C HIS A 48 -15.491 -24.350 10.569 1.00 0.00 C ATOM 742 O HIS A 48 -14.905 -24.261 9.490 1.00 0.00 O ATOM 743 CB HIS A 48 -15.469 -26.604 11.655 1.00 0.00 C ATOM 744 CG HIS A 48 -15.390 -27.934 10.971 1.00 0.00 C ATOM 745 ND1 HIS A 48 -16.276 -28.961 11.217 1.00 0.00 N ATOM 746 CD2 HIS A 48 -14.523 -28.402 10.043 1.00 0.00 C ATOM 747 CE1 HIS A 48 -15.957 -30.004 10.471 1.00 0.00 C ATOM 748 NE2 HIS A 48 -14.897 -29.690 9.749 1.00 0.00 N ATOM 0 H HIS A 48 -16.240 -26.212 8.908 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.153 -25.275 11.546 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.462 -26.205 11.773 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -15.876 -26.743 12.657 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -17.056 -28.922 11.873 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.692 -27.863 9.614 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -16.475 -30.952 10.455 1.00 0.00 H new ATOM 756 N LEU A 49 -15.441 -23.403 11.499 1.00 0.00 N ATOM 757 CA LEU A 49 -14.679 -22.175 11.300 1.00 0.00 C ATOM 758 C LEU A 49 -13.210 -22.384 11.654 1.00 0.00 C ATOM 759 O LEU A 49 -12.887 -22.981 12.681 1.00 0.00 O ATOM 760 CB LEU A 49 -15.264 -21.045 12.149 1.00 0.00 C ATOM 761 CG LEU A 49 -14.414 -19.778 12.258 1.00 0.00 C ATOM 762 CD1 LEU A 49 -14.331 -19.074 10.912 1.00 0.00 C ATOM 763 CD2 LEU A 49 -14.981 -18.845 13.317 1.00 0.00 C ATOM 0 H LEU A 49 -15.919 -23.462 12.398 1.00 0.00 H new ATOM 0 HA LEU A 49 -14.745 -21.901 10.247 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -16.235 -20.772 11.736 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.441 -21.427 13.154 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.406 -20.064 12.558 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -13.722 -18.175 11.009 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.878 -19.742 10.179 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -15.333 -18.800 10.582 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -14.364 -17.949 13.381 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -16.000 -18.565 13.048 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.987 -19.351 14.282 1.00 0.00 H new ATOM 775 N ILE A 50 -12.324 -21.886 10.798 1.00 0.00 N ATOM 776 CA ILE A 50 -10.889 -22.015 11.022 1.00 0.00 C ATOM 777 C ILE A 50 -10.260 -20.664 11.344 1.00 0.00 C ATOM 778 O ILE A 50 -9.545 -20.521 12.335 1.00 0.00 O ATOM 779 CB ILE A 50 -10.180 -22.621 9.797 1.00 0.00 C ATOM 780 CG1 ILE A 50 -11.181 -22.848 8.662 1.00 0.00 C ATOM 781 CG2 ILE A 50 -9.493 -23.925 10.173 1.00 0.00 C ATOM 782 CD1 ILE A 50 -10.549 -23.391 7.399 1.00 0.00 C ATOM 0 H ILE A 50 -12.574 -21.389 9.943 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.761 -22.685 11.873 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.420 -21.920 9.452 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.951 -23.541 9.001 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.679 -21.906 8.433 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.997 -24.341 9.296 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.755 -23.736 10.952 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.235 -24.634 10.540 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.317 -23.527 6.637 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.799 -22.688 7.036 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.075 -24.349 7.612 1.00 0.00 H new ATOM 794 N ALA A 51 -10.532 -19.674 10.499 1.00 0.00 N ATOM 795 CA ALA A 51 -9.995 -18.333 10.695 1.00 0.00 C ATOM 796 C ALA A 51 -11.044 -17.271 10.384 1.00 0.00 C ATOM 797 O ALA A 51 -11.265 -16.924 9.224 1.00 0.00 O ATOM 798 CB ALA A 51 -8.760 -18.127 9.830 1.00 0.00 C ATOM 0 H ALA A 51 -11.121 -19.776 9.672 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.712 -18.231 11.743 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.370 -17.121 9.987 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.999 -18.858 10.102 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.026 -18.254 8.780 1.00 0.00 H new ATOM 804 N ASP A 52 -11.688 -16.760 11.427 1.00 0.00 N ATOM 805 CA ASP A 52 -12.714 -15.737 11.266 1.00 0.00 C ATOM 806 C ASP A 52 -12.118 -14.340 11.412 1.00 0.00 C ATOM 807 O ASP A 52 -11.700 -13.943 12.500 1.00 0.00 O ATOM 808 CB ASP A 52 -13.831 -15.937 12.291 1.00 0.00 C ATOM 809 CG ASP A 52 -14.646 -14.678 12.514 1.00 0.00 C ATOM 810 OD1 ASP A 52 -15.380 -14.275 11.588 1.00 0.00 O ATOM 811 OD2 ASP A 52 -14.550 -14.097 13.615 1.00 0.00 O ATOM 0 H ASP A 52 -11.518 -17.038 12.394 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.130 -15.832 10.263 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.490 -16.738 11.954 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.397 -16.258 13.238 1.00 0.00 H new ATOM 816 N HIS A 53 -12.080 -13.600 10.308 1.00 0.00 N ATOM 817 CA HIS A 53 -11.533 -12.248 10.314 1.00 0.00 C ATOM 818 C HIS A 53 -12.604 -11.227 9.939 1.00 0.00 C ATOM 819 O HIS A 53 -12.482 -10.041 10.249 1.00 0.00 O ATOM 820 CB HIS A 53 -10.355 -12.147 9.344 1.00 0.00 C ATOM 821 CG HIS A 53 -9.021 -12.114 10.024 1.00 0.00 C ATOM 822 ND1 HIS A 53 -8.068 -13.067 10.149 1.00 0.00 N flip ATOM 823 CD2 HIS A 53 -8.537 -11.002 10.679 1.00 0.00 C flip ATOM 824 CE1 HIS A 53 -7.035 -12.518 10.869 1.00 0.00 C flip ATOM 825 NE2 HIS A 53 -7.343 -11.271 11.176 1.00 0.00 N flip ATOM 0 H HIS A 53 -12.421 -13.913 9.399 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.183 -12.029 11.323 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.384 -12.995 8.660 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.468 -11.247 8.740 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -9.053 -10.058 10.771 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.120 -13.024 11.140 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.758 -10.625 11.707 1.00 0.00 H new ATOM 833 N LEU A 54 -13.652 -11.696 9.271 1.00 0.00 N ATOM 834 CA LEU A 54 -14.745 -10.824 8.854 1.00 0.00 C ATOM 835 C LEU A 54 -15.836 -10.771 9.918 1.00 0.00 C ATOM 836 O LEU A 54 -16.777 -9.983 9.819 1.00 0.00 O ATOM 837 CB LEU A 54 -15.333 -11.310 7.528 1.00 0.00 C ATOM 838 CG LEU A 54 -14.328 -11.584 6.408 1.00 0.00 C ATOM 839 CD1 LEU A 54 -15.041 -12.089 5.163 1.00 0.00 C ATOM 840 CD2 LEU A 54 -13.526 -10.329 6.093 1.00 0.00 C ATOM 0 H LEU A 54 -13.768 -12.674 9.007 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.345 -9.819 8.721 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.895 -12.225 7.716 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.046 -10.565 7.175 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.638 -12.357 6.746 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.310 -12.279 4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.571 -13.013 5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.754 -11.338 4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.816 -10.542 5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -14.202 -9.535 5.775 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.985 -10.010 6.984 1.00 0.00 H new ATOM 852 N LYS A 55 -15.704 -11.613 10.937 1.00 0.00 N ATOM 853 CA LYS A 55 -16.676 -11.661 12.022 1.00 0.00 C ATOM 854 C LYS A 55 -18.095 -11.778 11.477 1.00 0.00 C ATOM 855 O LYS A 55 -18.995 -11.053 11.903 1.00 0.00 O ATOM 856 CB LYS A 55 -16.555 -10.412 12.898 1.00 0.00 C ATOM 857 CG LYS A 55 -15.148 -10.164 13.414 1.00 0.00 C ATOM 858 CD LYS A 55 -15.113 -10.107 14.932 1.00 0.00 C ATOM 859 CE LYS A 55 -15.729 -8.819 15.455 1.00 0.00 C ATOM 860 NZ LYS A 55 -14.822 -7.653 15.267 1.00 0.00 N ATOM 0 H LYS A 55 -14.932 -12.272 11.034 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.465 -12.543 12.627 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.881 -9.544 12.325 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.233 -10.507 13.747 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.486 -10.956 13.063 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.769 -9.227 13.005 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.651 -10.962 15.342 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.082 -10.185 15.277 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -16.672 -8.632 14.940 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.961 -8.931 16.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.225 -6.820 15.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.891 -7.868 15.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.716 -7.456 14.251 1.00 0.00 H new ATOM 874 N ILE A 56 -18.289 -12.694 10.534 1.00 0.00 N ATOM 875 CA ILE A 56 -19.600 -12.906 9.933 1.00 0.00 C ATOM 876 C ILE A 56 -20.521 -13.668 10.879 1.00 0.00 C ATOM 877 O ILE A 56 -21.654 -13.254 11.127 1.00 0.00 O ATOM 878 CB ILE A 56 -19.492 -13.679 8.605 1.00 0.00 C ATOM 879 CG1 ILE A 56 -18.623 -12.908 7.610 1.00 0.00 C ATOM 880 CG2 ILE A 56 -20.876 -13.930 8.025 1.00 0.00 C ATOM 881 CD1 ILE A 56 -18.033 -13.778 6.523 1.00 0.00 C ATOM 0 H ILE A 56 -17.555 -13.301 10.170 1.00 0.00 H new ATOM 0 HA ILE A 56 -20.021 -11.920 9.736 1.00 0.00 H new ATOM 0 HB ILE A 56 -19.020 -14.642 8.799 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -19.222 -12.122 7.150 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -17.814 -12.417 8.151 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -20.784 -14.477 7.087 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -21.465 -14.516 8.730 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -21.372 -12.977 7.842 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -17.429 -13.165 5.854 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -17.407 -14.549 6.973 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -18.837 -14.248 5.957 1.00 0.00 H new ATOM 893 N PHE A 57 -20.027 -14.784 11.406 1.00 0.00 N ATOM 894 CA PHE A 57 -20.806 -15.604 12.326 1.00 0.00 C ATOM 895 C PHE A 57 -20.769 -15.024 13.737 1.00 0.00 C ATOM 896 O PHE A 57 -21.566 -15.401 14.596 1.00 0.00 O ATOM 897 CB PHE A 57 -20.274 -17.039 12.338 1.00 0.00 C ATOM 898 CG PHE A 57 -20.105 -17.627 10.966 1.00 0.00 C ATOM 899 CD1 PHE A 57 -21.208 -18.028 10.229 1.00 0.00 C ATOM 900 CD2 PHE A 57 -18.844 -17.778 10.413 1.00 0.00 C ATOM 901 CE1 PHE A 57 -21.055 -18.570 8.967 1.00 0.00 C ATOM 902 CE2 PHE A 57 -18.685 -18.320 9.151 1.00 0.00 C ATOM 903 CZ PHE A 57 -19.792 -18.715 8.427 1.00 0.00 C ATOM 0 H PHE A 57 -19.091 -15.141 11.212 1.00 0.00 H new ATOM 0 HA PHE A 57 -21.840 -15.610 11.982 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -19.314 -17.058 12.853 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -20.956 -17.666 12.912 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -22.198 -17.916 10.646 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.975 -17.469 10.974 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -21.922 -18.880 8.403 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.696 -18.434 8.732 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.671 -19.137 7.440 1.00 0.00 H new ATOM 913 N HIS A 58 -19.836 -14.106 13.968 1.00 0.00 N ATOM 914 CA HIS A 58 -19.693 -13.473 15.275 1.00 0.00 C ATOM 915 C HIS A 58 -20.980 -12.759 15.675 1.00 0.00 C ATOM 916 O HIS A 58 -21.266 -12.593 16.861 1.00 0.00 O ATOM 917 CB HIS A 58 -18.529 -12.483 15.260 1.00 0.00 C ATOM 918 CG HIS A 58 -18.093 -12.051 16.627 1.00 0.00 C ATOM 919 ND1 HIS A 58 -16.911 -12.462 17.205 1.00 0.00 N ATOM 920 CD2 HIS A 58 -18.689 -11.237 17.530 1.00 0.00 C ATOM 921 CE1 HIS A 58 -16.799 -11.922 18.405 1.00 0.00 C ATOM 922 NE2 HIS A 58 -17.865 -11.174 18.627 1.00 0.00 N ATOM 0 H HIS A 58 -19.168 -13.784 13.268 1.00 0.00 H new ATOM 0 HA HIS A 58 -19.487 -14.252 16.009 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -17.683 -12.937 14.744 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -18.818 -11.603 14.685 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -19.636 -10.731 17.410 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -15.976 -12.067 19.089 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -18.047 -10.637 19.475 1.00 0.00 H new ATOM 930 N ASP A 59 -21.752 -12.337 14.679 1.00 0.00 N ATOM 931 CA ASP A 59 -23.008 -11.640 14.928 1.00 0.00 C ATOM 932 C ASP A 59 -24.152 -12.632 15.112 1.00 0.00 C ATOM 933 O ASP A 59 -25.315 -12.241 15.226 1.00 0.00 O ATOM 934 CB ASP A 59 -23.324 -10.687 13.774 1.00 0.00 C ATOM 935 CG ASP A 59 -22.074 -10.181 13.082 1.00 0.00 C ATOM 936 OD1 ASP A 59 -21.578 -10.875 12.169 1.00 0.00 O ATOM 937 OD2 ASP A 59 -21.591 -9.091 13.452 1.00 0.00 O ATOM 0 H ASP A 59 -21.530 -12.466 13.692 1.00 0.00 H new ATOM 0 HA ASP A 59 -22.900 -11.063 15.846 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -23.956 -11.198 13.048 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -23.895 -9.839 14.153 1.00 0.00 H new ATOM 942 N HIS A 60 -23.816 -13.918 15.140 1.00 0.00 N ATOM 943 CA HIS A 60 -24.815 -14.966 15.311 1.00 0.00 C ATOM 944 C HIS A 60 -26.136 -14.569 14.658 1.00 0.00 C ATOM 945 O HIS A 60 -27.197 -14.653 15.278 1.00 0.00 O ATOM 946 CB HIS A 60 -25.033 -15.256 16.796 1.00 0.00 C ATOM 947 CG HIS A 60 -25.137 -14.021 17.638 1.00 0.00 C ATOM 948 ND1 HIS A 60 -26.132 -13.111 17.756 1.00 0.00 N flip ATOM 949 CD2 HIS A 60 -24.135 -13.604 18.488 1.00 0.00 C flip ATOM 950 CE1 HIS A 60 -25.717 -12.171 18.667 1.00 0.00 C flip ATOM 951 NE2 HIS A 60 -24.509 -12.492 19.094 1.00 0.00 N flip ATOM 0 H HIS A 60 -22.859 -14.259 15.046 1.00 0.00 H new ATOM 0 HA HIS A 60 -24.446 -15.868 14.824 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -25.944 -15.844 16.913 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -24.209 -15.868 17.163 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -23.191 -14.108 18.635 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -26.286 -11.309 18.983 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -23.959 -11.970 19.776 1.00 0.00 H new ATOM 959 N HIS A 61 -26.064 -14.134 13.404 1.00 0.00 N ATOM 960 CA HIS A 61 -27.254 -13.723 12.668 1.00 0.00 C ATOM 961 C HIS A 61 -27.177 -14.177 11.213 1.00 0.00 C ATOM 962 O HIS A 61 -27.969 -13.748 10.375 1.00 0.00 O ATOM 963 CB HIS A 61 -27.420 -12.205 12.732 1.00 0.00 C ATOM 964 CG HIS A 61 -28.454 -11.757 13.718 1.00 0.00 C ATOM 965 ND1 HIS A 61 -29.718 -11.345 13.350 1.00 0.00 N ATOM 966 CD2 HIS A 61 -28.407 -11.658 15.067 1.00 0.00 C ATOM 967 CE1 HIS A 61 -30.402 -11.012 14.429 1.00 0.00 C ATOM 968 NE2 HIS A 61 -29.630 -11.193 15.485 1.00 0.00 N ATOM 0 H HIS A 61 -25.194 -14.057 12.877 1.00 0.00 H new ATOM 0 HA HIS A 61 -28.119 -14.196 13.133 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -26.462 -11.754 12.992 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -27.689 -11.835 11.743 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -27.564 -11.900 15.698 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -31.420 -10.653 14.445 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -29.898 -11.016 16.453 1.00 0.00 H new ATOM 976 N VAL A 62 -26.217 -15.049 10.921 1.00 0.00 N ATOM 977 CA VAL A 62 -26.036 -15.562 9.568 1.00 0.00 C ATOM 978 C VAL A 62 -25.788 -17.066 9.579 1.00 0.00 C ATOM 979 O VAL A 62 -25.024 -17.575 10.400 1.00 0.00 O ATOM 980 CB VAL A 62 -24.862 -14.864 8.855 1.00 0.00 C ATOM 981 CG1 VAL A 62 -23.538 -15.266 9.487 1.00 0.00 C ATOM 982 CG2 VAL A 62 -24.873 -15.188 7.369 1.00 0.00 C ATOM 0 H VAL A 62 -25.553 -15.415 11.603 1.00 0.00 H new ATOM 0 HA VAL A 62 -26.957 -15.353 9.024 1.00 0.00 H new ATOM 0 HB VAL A 62 -24.979 -13.786 8.969 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -22.721 -14.763 8.970 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -23.534 -14.978 10.538 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -23.409 -16.345 9.406 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -24.037 -14.687 6.881 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -24.781 -16.265 7.231 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -25.809 -14.844 6.929 1.00 0.00 H new ATOM 992 N THR A 63 -26.438 -17.774 8.661 1.00 0.00 N ATOM 993 CA THR A 63 -26.289 -19.221 8.565 1.00 0.00 C ATOM 994 C THR A 63 -25.362 -19.603 7.417 1.00 0.00 C ATOM 995 O THR A 63 -25.098 -18.797 6.524 1.00 0.00 O ATOM 996 CB THR A 63 -27.650 -19.913 8.362 1.00 0.00 C ATOM 997 OG1 THR A 63 -27.458 -21.316 8.144 1.00 0.00 O ATOM 998 CG2 THR A 63 -28.395 -19.309 7.182 1.00 0.00 C ATOM 0 H THR A 63 -27.073 -17.369 7.973 1.00 0.00 H new ATOM 0 HA THR A 63 -25.855 -19.557 9.507 1.00 0.00 H new ATOM 0 HB THR A 63 -28.246 -19.763 9.262 1.00 0.00 H new ATOM 0 HG1 THR A 63 -28.328 -21.749 8.017 1.00 0.00 H new ATOM 0 HG21 THR A 63 -29.353 -19.814 7.059 1.00 0.00 H new ATOM 0 HG22 THR A 63 -28.565 -18.248 7.364 1.00 0.00 H new ATOM 0 HG23 THR A 63 -27.802 -19.431 6.276 1.00 0.00 H new ATOM 1006 N VAL A 64 -24.870 -20.837 7.445 1.00 0.00 N ATOM 1007 CA VAL A 64 -23.973 -21.327 6.405 1.00 0.00 C ATOM 1008 C VAL A 64 -24.601 -21.180 5.024 1.00 0.00 C ATOM 1009 O VAL A 64 -23.903 -20.956 4.035 1.00 0.00 O ATOM 1010 CB VAL A 64 -23.602 -22.804 6.634 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -22.813 -23.346 5.451 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -22.817 -22.962 7.927 1.00 0.00 C ATOM 0 H VAL A 64 -25.077 -21.516 8.177 1.00 0.00 H new ATOM 0 HA VAL A 64 -23.068 -20.721 6.456 1.00 0.00 H new ATOM 0 HB VAL A 64 -24.522 -23.382 6.722 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -22.560 -24.391 5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -23.416 -23.269 4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -21.898 -22.767 5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -22.563 -24.012 8.073 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -21.902 -22.372 7.872 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -23.422 -22.615 8.765 1.00 0.00 H new ATOM 1022 N GLU A 65 -25.923 -21.306 4.964 1.00 0.00 N ATOM 1023 CA GLU A 65 -26.644 -21.187 3.702 1.00 0.00 C ATOM 1024 C GLU A 65 -26.533 -19.772 3.143 1.00 0.00 C ATOM 1025 O GLU A 65 -26.268 -19.582 1.956 1.00 0.00 O ATOM 1026 CB GLU A 65 -28.117 -21.556 3.895 1.00 0.00 C ATOM 1027 CG GLU A 65 -29.034 -20.972 2.834 1.00 0.00 C ATOM 1028 CD GLU A 65 -30.303 -21.783 2.649 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -30.251 -22.811 1.943 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -31.346 -21.388 3.210 1.00 0.00 O ATOM 0 H GLU A 65 -26.516 -21.490 5.773 1.00 0.00 H new ATOM 0 HA GLU A 65 -26.193 -21.877 2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -28.215 -22.642 3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -28.444 -21.211 4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -29.297 -19.950 3.109 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -28.499 -20.920 1.886 1.00 0.00 H new ATOM 1037 N GLN A 66 -26.737 -18.782 4.007 1.00 0.00 N ATOM 1038 CA GLN A 66 -26.660 -17.385 3.599 1.00 0.00 C ATOM 1039 C GLN A 66 -25.255 -17.032 3.123 1.00 0.00 C ATOM 1040 O GLN A 66 -25.080 -16.204 2.228 1.00 0.00 O ATOM 1041 CB GLN A 66 -27.063 -16.470 4.758 1.00 0.00 C ATOM 1042 CG GLN A 66 -28.563 -16.242 4.859 1.00 0.00 C ATOM 1043 CD GLN A 66 -28.925 -15.193 5.891 1.00 0.00 C ATOM 1044 OE1 GLN A 66 -29.684 -15.458 6.823 1.00 0.00 O ATOM 1045 NE2 GLN A 66 -28.382 -13.992 5.730 1.00 0.00 N ATOM 0 H GLN A 66 -26.957 -18.922 4.993 1.00 0.00 H new ATOM 0 HA GLN A 66 -27.352 -17.237 2.770 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -26.706 -16.902 5.693 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -26.565 -15.508 4.641 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -28.947 -15.936 3.886 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -29.053 -17.182 5.114 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -27.758 -13.816 4.943 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -28.589 -13.246 6.394 1.00 0.00 H new ATOM 1054 N LEU A 67 -24.255 -17.666 3.727 1.00 0.00 N ATOM 1055 CA LEU A 67 -22.864 -17.419 3.366 1.00 0.00 C ATOM 1056 C LEU A 67 -22.632 -17.684 1.881 1.00 0.00 C ATOM 1057 O LEU A 67 -21.861 -16.981 1.229 1.00 0.00 O ATOM 1058 CB LEU A 67 -21.935 -18.299 4.204 1.00 0.00 C ATOM 1059 CG LEU A 67 -21.356 -17.655 5.464 1.00 0.00 C ATOM 1060 CD1 LEU A 67 -20.216 -16.714 5.107 1.00 0.00 C ATOM 1061 CD2 LEU A 67 -22.442 -16.914 6.230 1.00 0.00 C ATOM 0 H LEU A 67 -24.382 -18.355 4.469 1.00 0.00 H new ATOM 0 HA LEU A 67 -22.642 -16.371 3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -22.483 -19.195 4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.108 -18.623 3.573 1.00 0.00 H new ATOM 0 HG LEU A 67 -20.961 -18.444 6.104 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -19.816 -16.265 6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -19.428 -17.272 4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -20.585 -15.929 4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -22.013 -16.462 7.124 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -22.866 -16.135 5.597 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -23.226 -17.614 6.519 1.00 0.00 H new ATOM 1073 N MET A 68 -23.305 -18.702 1.355 1.00 0.00 N ATOM 1074 CA MET A 68 -23.174 -19.057 -0.053 1.00 0.00 C ATOM 1075 C MET A 68 -23.868 -18.028 -0.940 1.00 0.00 C ATOM 1076 O MET A 68 -23.366 -17.674 -2.007 1.00 0.00 O ATOM 1077 CB MET A 68 -23.763 -20.446 -0.308 1.00 0.00 C ATOM 1078 CG MET A 68 -23.362 -21.476 0.736 1.00 0.00 C ATOM 1079 SD MET A 68 -22.917 -23.065 0.008 1.00 0.00 S ATOM 1080 CE MET A 68 -22.409 -23.974 1.465 1.00 0.00 C ATOM 0 H MET A 68 -23.946 -19.295 1.882 1.00 0.00 H new ATOM 0 HA MET A 68 -22.113 -19.069 -0.301 1.00 0.00 H new ATOM 0 HB2 MET A 68 -24.850 -20.372 -0.335 1.00 0.00 H new ATOM 0 HB3 MET A 68 -23.443 -20.793 -1.291 1.00 0.00 H new ATOM 0 HG2 MET A 68 -22.518 -21.095 1.311 1.00 0.00 H new ATOM 0 HG3 MET A 68 -24.186 -21.619 1.435 1.00 0.00 H new ATOM 0 HE1 MET A 68 -21.757 -24.797 1.172 1.00 0.00 H new ATOM 0 HE2 MET A 68 -21.872 -23.308 2.140 1.00 0.00 H new ATOM 0 HE3 MET A 68 -23.289 -24.371 1.971 1.00 0.00 H new ATOM 1254 N ASP A 81 -16.448 -26.273 0.839 1.00 0.00 N ATOM 1255 CA ASP A 81 -15.462 -25.282 1.256 1.00 0.00 C ATOM 1256 C ASP A 81 -15.800 -23.907 0.690 1.00 0.00 C ATOM 1257 O ASP A 81 -16.104 -23.769 -0.496 1.00 0.00 O ATOM 1258 CB ASP A 81 -14.062 -25.703 0.806 1.00 0.00 C ATOM 1259 CG ASP A 81 -13.863 -25.543 -0.689 1.00 0.00 C ATOM 1260 OD1 ASP A 81 -14.668 -26.109 -1.458 1.00 0.00 O ATOM 1261 OD2 ASP A 81 -12.901 -24.854 -1.090 1.00 0.00 O ATOM 0 HA ASP A 81 -15.482 -25.222 2.344 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.319 -25.106 1.335 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.892 -26.743 1.083 1.00 0.00 H new ATOM 1266 N LEU A 82 -15.747 -22.891 1.545 1.00 0.00 N ATOM 1267 CA LEU A 82 -16.049 -21.526 1.131 1.00 0.00 C ATOM 1268 C LEU A 82 -15.057 -20.540 1.740 1.00 0.00 C ATOM 1269 O LEU A 82 -14.680 -20.665 2.905 1.00 0.00 O ATOM 1270 CB LEU A 82 -17.474 -21.151 1.540 1.00 0.00 C ATOM 1271 CG LEU A 82 -18.531 -21.227 0.437 1.00 0.00 C ATOM 1272 CD1 LEU A 82 -19.929 -21.181 1.034 1.00 0.00 C ATOM 1273 CD2 LEU A 82 -18.339 -20.098 -0.565 1.00 0.00 C ATOM 0 H LEU A 82 -15.498 -22.987 2.529 1.00 0.00 H new ATOM 0 HA LEU A 82 -15.964 -21.475 0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -17.781 -21.806 2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -17.462 -20.135 1.935 1.00 0.00 H new ATOM 0 HG LEU A 82 -18.413 -22.175 -0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -20.668 -21.236 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -20.063 -22.024 1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -20.059 -20.249 1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -19.100 -20.168 -1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -18.429 -19.139 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -17.350 -20.177 -1.017 1.00 0.00 H new ATOM 1285 N GLU A 83 -14.641 -19.559 0.945 1.00 0.00 N ATOM 1286 CA GLU A 83 -13.694 -18.551 1.408 1.00 0.00 C ATOM 1287 C GLU A 83 -14.234 -17.145 1.164 1.00 0.00 C ATOM 1288 O GLU A 83 -14.813 -16.864 0.114 1.00 0.00 O ATOM 1289 CB GLU A 83 -12.347 -18.723 0.703 1.00 0.00 C ATOM 1290 CG GLU A 83 -11.896 -20.170 0.595 1.00 0.00 C ATOM 1291 CD GLU A 83 -12.504 -20.883 -0.597 1.00 0.00 C ATOM 1292 OE1 GLU A 83 -13.153 -20.209 -1.425 1.00 0.00 O ATOM 1293 OE2 GLU A 83 -12.330 -22.115 -0.703 1.00 0.00 O ATOM 0 H GLU A 83 -14.944 -19.441 -0.022 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.554 -18.686 2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.413 -18.296 -0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.589 -18.154 1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.809 -20.203 0.518 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.167 -20.700 1.508 1.00 0.00 H new ATOM 1300 N PHE A 84 -14.039 -16.265 2.141 1.00 0.00 N ATOM 1301 CA PHE A 84 -14.507 -14.888 2.033 1.00 0.00 C ATOM 1302 C PHE A 84 -13.389 -13.906 2.368 1.00 0.00 C ATOM 1303 O PHE A 84 -12.770 -13.993 3.428 1.00 0.00 O ATOM 1304 CB PHE A 84 -15.699 -14.658 2.965 1.00 0.00 C ATOM 1305 CG PHE A 84 -16.854 -15.581 2.700 1.00 0.00 C ATOM 1306 CD1 PHE A 84 -16.842 -16.882 3.177 1.00 0.00 C ATOM 1307 CD2 PHE A 84 -17.952 -15.148 1.974 1.00 0.00 C ATOM 1308 CE1 PHE A 84 -17.903 -17.734 2.935 1.00 0.00 C ATOM 1309 CE2 PHE A 84 -19.016 -15.995 1.730 1.00 0.00 C ATOM 1310 CZ PHE A 84 -18.991 -17.290 2.210 1.00 0.00 C ATOM 0 H PHE A 84 -13.561 -16.481 3.016 1.00 0.00 H new ATOM 0 HA PHE A 84 -14.821 -14.717 1.003 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -15.373 -14.785 3.997 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -16.037 -13.627 2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -15.993 -17.234 3.745 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -17.976 -14.137 1.595 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -17.881 -18.746 3.312 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -19.867 -15.645 1.164 1.00 0.00 H new ATOM 0 HZ PHE A 84 -19.821 -17.954 2.019 1.00 0.00 H new ATOM 1320 N GLU A 85 -13.136 -12.973 1.455 1.00 0.00 N ATOM 1321 CA GLU A 85 -12.090 -11.975 1.653 1.00 0.00 C ATOM 1322 C GLU A 85 -12.692 -10.583 1.819 1.00 0.00 C ATOM 1323 O GLU A 85 -12.121 -9.725 2.492 1.00 0.00 O ATOM 1324 CB GLU A 85 -11.116 -11.985 0.474 1.00 0.00 C ATOM 1325 CG GLU A 85 -11.800 -12.060 -0.881 1.00 0.00 C ATOM 1326 CD GLU A 85 -11.220 -11.081 -1.883 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -9.985 -11.089 -2.073 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -11.999 -10.306 -2.476 1.00 0.00 O ATOM 0 H GLU A 85 -13.640 -12.887 0.572 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.548 -12.228 2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.503 -11.085 0.513 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.441 -12.835 0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.709 -13.073 -1.274 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.864 -11.860 -0.758 1.00 0.00 H new ATOM 1335 N ASP A 86 -13.847 -10.366 1.200 1.00 0.00 N ATOM 1336 CA ASP A 86 -14.527 -9.079 1.278 1.00 0.00 C ATOM 1337 C ASP A 86 -16.041 -9.265 1.316 1.00 0.00 C ATOM 1338 O ASP A 86 -16.700 -9.289 0.276 1.00 0.00 O ATOM 1339 CB ASP A 86 -14.139 -8.200 0.088 1.00 0.00 C ATOM 1340 CG ASP A 86 -14.204 -6.721 0.416 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -15.297 -6.241 0.783 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -13.161 -6.043 0.306 1.00 0.00 O ATOM 0 H ASP A 86 -14.332 -11.066 0.638 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.216 -8.587 2.200 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.129 -8.454 -0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.803 -8.413 -0.749 1.00 0.00 H new ATOM 1347 N ILE A 87 -16.585 -9.399 2.521 1.00 0.00 N ATOM 1348 CA ILE A 87 -18.021 -9.583 2.694 1.00 0.00 C ATOM 1349 C ILE A 87 -18.806 -8.493 1.973 1.00 0.00 C ATOM 1350 O ILE A 87 -18.315 -7.388 1.743 1.00 0.00 O ATOM 1351 CB ILE A 87 -18.413 -9.582 4.184 1.00 0.00 C ATOM 1352 CG1 ILE A 87 -17.783 -8.384 4.898 1.00 0.00 C ATOM 1353 CG2 ILE A 87 -17.987 -10.884 4.845 1.00 0.00 C ATOM 1354 CD1 ILE A 87 -18.239 -8.228 6.332 1.00 0.00 C ATOM 0 H ILE A 87 -16.054 -9.384 3.391 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.269 -10.552 2.262 1.00 0.00 H new ATOM 0 HB ILE A 87 -19.497 -9.497 4.260 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -16.698 -8.489 4.879 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -18.024 -7.475 4.347 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -18.271 -10.868 5.897 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -18.478 -11.721 4.349 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -16.906 -10.997 4.763 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -17.753 -7.359 6.776 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -19.320 -8.091 6.357 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -17.973 -9.121 6.897 1.00 0.00 H new ATOM 1366 N PRO A 88 -20.057 -8.809 1.607 1.00 0.00 N ATOM 1367 CA PRO A 88 -20.939 -7.869 0.908 1.00 0.00 C ATOM 1368 C PRO A 88 -21.386 -6.719 1.803 1.00 0.00 C ATOM 1369 O PRO A 88 -20.861 -6.534 2.901 1.00 0.00 O ATOM 1370 CB PRO A 88 -22.137 -8.735 0.511 1.00 0.00 C ATOM 1371 CG PRO A 88 -22.148 -9.845 1.505 1.00 0.00 C ATOM 1372 CD PRO A 88 -20.708 -10.108 1.848 1.00 0.00 C ATOM 0 HA PRO A 88 -20.441 -7.394 0.063 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -23.066 -8.165 0.544 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -22.032 -9.115 -0.505 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -22.716 -9.568 2.393 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -22.619 -10.736 1.090 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.594 -10.429 2.883 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.283 -10.893 1.222 1.00 0.00 H new ATOM 1380 N ASP A 89 -22.358 -5.949 1.327 1.00 0.00 N ATOM 1381 CA ASP A 89 -22.878 -4.817 2.085 1.00 0.00 C ATOM 1382 C ASP A 89 -24.272 -5.118 2.625 1.00 0.00 C ATOM 1383 O ASP A 89 -24.726 -4.493 3.583 1.00 0.00 O ATOM 1384 CB ASP A 89 -22.915 -3.563 1.210 1.00 0.00 C ATOM 1385 CG ASP A 89 -21.601 -3.315 0.496 1.00 0.00 C ATOM 1386 OD1 ASP A 89 -21.422 -3.848 -0.619 1.00 0.00 O ATOM 1387 OD2 ASP A 89 -20.750 -2.590 1.054 1.00 0.00 O ATOM 0 H ASP A 89 -22.802 -6.088 0.419 1.00 0.00 H new ATOM 0 HA ASP A 89 -22.212 -4.641 2.930 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -23.712 -3.661 0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -23.157 -2.699 1.829 1.00 0.00 H new ATOM 1392 N SER A 90 -24.948 -6.078 2.001 1.00 0.00 N ATOM 1393 CA SER A 90 -26.293 -6.459 2.416 1.00 0.00 C ATOM 1394 C SER A 90 -26.259 -7.223 3.736 1.00 0.00 C ATOM 1395 O SER A 90 -27.209 -7.174 4.519 1.00 0.00 O ATOM 1396 CB SER A 90 -26.959 -7.313 1.336 1.00 0.00 C ATOM 1397 OG SER A 90 -26.466 -8.642 1.360 1.00 0.00 O ATOM 0 H SER A 90 -24.586 -6.606 1.207 1.00 0.00 H new ATOM 0 HA SER A 90 -26.874 -5.548 2.559 1.00 0.00 H new ATOM 0 HB2 SER A 90 -28.038 -7.319 1.487 1.00 0.00 H new ATOM 0 HB3 SER A 90 -26.777 -6.872 0.356 1.00 0.00 H new ATOM 0 HG SER A 90 -26.909 -9.168 0.661 1.00 0.00 H new ATOM 1403 N LEU A 91 -25.160 -7.928 3.976 1.00 0.00 N ATOM 1404 CA LEU A 91 -25.000 -8.703 5.201 1.00 0.00 C ATOM 1405 C LEU A 91 -24.654 -7.797 6.378 1.00 0.00 C ATOM 1406 O LEU A 91 -25.329 -7.811 7.407 1.00 0.00 O ATOM 1407 CB LEU A 91 -23.911 -9.762 5.020 1.00 0.00 C ATOM 1408 CG LEU A 91 -24.230 -10.894 4.043 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -23.105 -11.916 4.023 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -25.550 -11.557 4.409 1.00 0.00 C ATOM 0 H LEU A 91 -24.366 -7.979 3.338 1.00 0.00 H new ATOM 0 HA LEU A 91 -25.947 -9.198 5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -23.001 -9.265 4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -23.693 -10.200 5.994 1.00 0.00 H new ATOM 0 HG LEU A 91 -24.324 -10.470 3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -23.351 -12.714 3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -22.179 -11.432 3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -22.977 -12.336 5.021 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -25.762 -12.360 3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -25.484 -11.967 5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -26.351 -10.819 4.369 1.00 0.00 H new