USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 623 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 63 TYR OH : rot -123:sc= 0.0934 USER MOD Set 1.2: A 71 HIS : no HE2:sc= -7.38! C(o=-7.3!,f=-5.8!) USER MOD Set 2.1: A 23 THR OG1 : rot -120:sc= -0.623 USER MOD Set 2.2: A 34 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00963) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 24 LYS NZ :NH3+ -148:sc= -0.395 (180deg=-1.63!) USER MOD Single : A 30 CYS SG : rot 180:sc= -1.25 USER MOD Single : A 38 GLN : amide:sc= -0.853 K(o=-0.85,f=-0.12) USER MOD Single : A 40 TYR OH : rot 180:sc= -1.81 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -1.41! X(o=-1.4!,f=-1.3) USER MOD Single : A 52 THR OG1 : rot -106:sc= 0.0805 USER MOD Single : A 56 ASN : amide:sc= -0.025 K(o=-0.025,f=-1.6) USER MOD Single : A 57 SER OG : rot -80:sc= 1.08 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -115:sc= -1.16! (180deg=-5.84!) USER MOD Single : A 73 ASN : amide:sc= -1.73! K(o=-1.7!,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.181 K(o=-0.18,f=-1.4) USER MOD Single : A 78 MET CE :methyl 163:sc= -3.02! (180deg=-3.64!) USER MOD Single : A 79 MET CE :methyl 162:sc= 0 (180deg=-0.791) USER MOD Single : A 80 HIS : no HE2:sc= -12.8! C(o=-13!,f=-17!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.289 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.398 X(o=-0.4,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 169 N ALA A 15 6.188 7.739 13.598 1.00 0.00 N ATOM 170 CA ALA A 15 5.009 6.958 13.265 1.00 0.00 C ATOM 171 C ALA A 15 4.807 6.969 11.748 1.00 0.00 C ATOM 172 O ALA A 15 4.696 8.033 11.141 1.00 0.00 O ATOM 173 CB ALA A 15 3.799 7.513 14.019 1.00 0.00 C ATOM 0 HA ALA A 15 5.136 5.920 13.573 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.914 6.927 13.769 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.981 7.455 15.092 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.638 8.553 13.734 1.00 0.00 H new ATOM 179 N LEU A 16 4.766 5.773 11.180 1.00 0.00 N ATOM 180 CA LEU A 16 4.579 5.631 9.746 1.00 0.00 C ATOM 181 C LEU A 16 3.118 5.278 9.459 1.00 0.00 C ATOM 182 O LEU A 16 2.420 4.755 10.326 1.00 0.00 O ATOM 183 CB LEU A 16 5.579 4.626 9.172 1.00 0.00 C ATOM 184 CG LEU A 16 7.040 4.825 9.581 1.00 0.00 C ATOM 185 CD1 LEU A 16 7.907 3.660 9.099 1.00 0.00 C ATOM 186 CD2 LEU A 16 7.567 6.174 9.090 1.00 0.00 C ATOM 0 H LEU A 16 4.859 4.893 11.687 1.00 0.00 H new ATOM 0 HA LEU A 16 4.785 6.574 9.240 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.271 3.625 9.473 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.518 4.664 8.084 1.00 0.00 H new ATOM 0 HG LEU A 16 7.092 4.836 10.670 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.941 3.826 9.402 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.544 2.731 9.538 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.854 3.592 8.012 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.607 6.291 9.394 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.499 6.217 8.003 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.970 6.977 9.523 1.00 0.00 H new ATOM 198 N PRO A 17 2.688 5.587 8.206 1.00 0.00 N ATOM 199 CA PRO A 17 1.323 5.308 7.794 1.00 0.00 C ATOM 200 C PRO A 17 1.124 3.814 7.531 1.00 0.00 C ATOM 201 O PRO A 17 2.093 3.073 7.373 1.00 0.00 O ATOM 202 CB PRO A 17 1.103 6.163 6.556 1.00 0.00 C ATOM 203 CG PRO A 17 2.490 6.530 6.052 1.00 0.00 C ATOM 204 CD PRO A 17 3.486 6.207 7.153 1.00 0.00 C ATOM 0 HA PRO A 17 0.593 5.552 8.566 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.544 5.615 5.797 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.525 7.056 6.795 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.727 5.971 5.147 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.535 7.588 5.795 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.264 5.532 6.797 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.985 7.107 7.512 1.00 0.00 H new ATOM 212 N VAL A 18 -0.139 3.415 7.493 1.00 0.00 N ATOM 213 CA VAL A 18 -0.478 2.023 7.253 1.00 0.00 C ATOM 214 C VAL A 18 -1.024 1.874 5.832 1.00 0.00 C ATOM 215 O VAL A 18 -2.093 2.394 5.516 1.00 0.00 O ATOM 216 CB VAL A 18 -1.453 1.529 8.323 1.00 0.00 C ATOM 217 CG1 VAL A 18 -1.924 0.105 8.021 1.00 0.00 C ATOM 218 CG2 VAL A 18 -0.827 1.615 9.717 1.00 0.00 C ATOM 0 H VAL A 18 -0.940 4.032 7.625 1.00 0.00 H new ATOM 0 HA VAL A 18 0.410 1.395 7.328 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.326 2.181 8.307 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.616 -0.222 8.797 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.427 0.086 7.054 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.065 -0.565 7.996 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.541 1.258 10.459 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.071 0.998 9.751 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.565 2.650 9.935 1.00 0.00 H new ATOM 228 N LEU A 19 -0.266 1.161 5.012 1.00 0.00 N ATOM 229 CA LEU A 19 -0.661 0.936 3.632 1.00 0.00 C ATOM 230 C LEU A 19 -1.284 -0.455 3.504 1.00 0.00 C ATOM 231 O LEU A 19 -0.595 -1.464 3.651 1.00 0.00 O ATOM 232 CB LEU A 19 0.523 1.169 2.691 1.00 0.00 C ATOM 233 CG LEU A 19 0.241 0.984 1.199 1.00 0.00 C ATOM 234 CD1 LEU A 19 -0.197 2.301 0.556 1.00 0.00 C ATOM 235 CD2 LEU A 19 1.447 0.370 0.484 1.00 0.00 C ATOM 0 H LEU A 19 0.620 0.731 5.277 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.423 1.655 3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.892 2.183 2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.327 0.490 2.975 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.587 0.283 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.391 2.141 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.105 2.658 1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.593 3.043 0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.219 0.249 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.310 1.026 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.672 -0.603 0.920 1.00 0.00 H new ATOM 247 N THR A 20 -2.580 -0.465 3.231 1.00 0.00 N ATOM 248 CA THR A 20 -3.304 -1.716 3.082 1.00 0.00 C ATOM 249 C THR A 20 -3.029 -2.331 1.708 1.00 0.00 C ATOM 250 O THR A 20 -3.246 -1.688 0.682 1.00 0.00 O ATOM 251 CB THR A 20 -4.786 -1.439 3.338 1.00 0.00 C ATOM 252 OG1 THR A 20 -4.782 -0.415 4.329 1.00 0.00 O ATOM 253 CG2 THR A 20 -5.493 -2.613 4.018 1.00 0.00 C ATOM 0 H THR A 20 -3.148 0.373 3.109 1.00 0.00 H new ATOM 0 HA THR A 20 -2.967 -2.456 3.808 1.00 0.00 H new ATOM 0 HB THR A 20 -5.281 -1.216 2.393 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.705 -0.173 4.553 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.542 -2.364 4.176 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.422 -3.497 3.384 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.019 -2.816 4.978 1.00 0.00 H new ATOM 261 N LEU A 21 -2.556 -3.568 1.732 1.00 0.00 N ATOM 262 CA LEU A 21 -2.249 -4.276 0.501 1.00 0.00 C ATOM 263 C LEU A 21 -3.144 -5.512 0.392 1.00 0.00 C ATOM 264 O LEU A 21 -3.136 -6.369 1.275 1.00 0.00 O ATOM 265 CB LEU A 21 -0.754 -4.591 0.423 1.00 0.00 C ATOM 266 CG LEU A 21 -0.366 -5.789 -0.447 1.00 0.00 C ATOM 267 CD1 LEU A 21 -0.904 -5.630 -1.870 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.148 -6.012 -0.429 1.00 0.00 C ATOM 0 H LEU A 21 -2.378 -4.098 2.585 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.465 -3.648 -0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.236 -3.710 0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.387 -4.767 1.434 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.829 -6.681 -0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.614 -6.495 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.991 -5.556 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.490 -4.726 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.397 -6.869 -1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.651 -5.124 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.476 -6.202 0.593 1.00 0.00 H new ATOM 280 N PHE A 22 -3.896 -5.565 -0.697 1.00 0.00 N ATOM 281 CA PHE A 22 -4.795 -6.682 -0.933 1.00 0.00 C ATOM 282 C PHE A 22 -4.329 -7.519 -2.126 1.00 0.00 C ATOM 283 O PHE A 22 -4.487 -7.111 -3.275 1.00 0.00 O ATOM 284 CB PHE A 22 -6.171 -6.090 -1.247 1.00 0.00 C ATOM 285 CG PHE A 22 -6.851 -5.425 -0.048 1.00 0.00 C ATOM 286 CD1 PHE A 22 -7.459 -6.189 0.898 1.00 0.00 C ATOM 287 CD2 PHE A 22 -6.846 -4.070 0.071 1.00 0.00 C ATOM 288 CE1 PHE A 22 -8.090 -5.572 2.011 1.00 0.00 C ATOM 289 CE2 PHE A 22 -7.477 -3.453 1.183 1.00 0.00 C ATOM 290 CZ PHE A 22 -8.086 -4.217 2.130 1.00 0.00 C ATOM 0 H PHE A 22 -3.901 -4.852 -1.426 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.821 -7.330 -0.057 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.065 -5.355 -2.045 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.818 -6.881 -1.626 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.462 -7.265 0.803 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.362 -3.464 -0.680 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.573 -6.179 2.763 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -7.474 -2.377 1.277 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.566 -3.748 2.976 1.00 0.00 H new ATOM 300 N THR A 23 -3.764 -8.675 -1.811 1.00 0.00 N ATOM 301 CA THR A 23 -3.273 -9.574 -2.843 1.00 0.00 C ATOM 302 C THR A 23 -4.080 -10.874 -2.845 1.00 0.00 C ATOM 303 O THR A 23 -4.857 -11.128 -1.926 1.00 0.00 O ATOM 304 CB THR A 23 -1.776 -9.788 -2.611 1.00 0.00 C ATOM 305 OG1 THR A 23 -1.478 -10.974 -3.342 1.00 0.00 O ATOM 306 CG2 THR A 23 -1.455 -10.153 -1.160 1.00 0.00 C ATOM 0 H THR A 23 -3.635 -9.010 -0.856 1.00 0.00 H new ATOM 0 HA THR A 23 -3.404 -9.145 -3.837 1.00 0.00 H new ATOM 0 HB THR A 23 -1.233 -8.884 -2.886 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.130 -11.656 -2.731 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.380 -10.294 -1.050 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.785 -9.350 -0.501 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.971 -11.076 -0.894 1.00 0.00 H new ATOM 314 N LYS A 24 -3.868 -11.662 -3.889 1.00 0.00 N ATOM 315 CA LYS A 24 -4.566 -12.929 -4.024 1.00 0.00 C ATOM 316 C LYS A 24 -3.796 -13.830 -4.991 1.00 0.00 C ATOM 317 O LYS A 24 -3.580 -13.466 -6.146 1.00 0.00 O ATOM 318 CB LYS A 24 -6.024 -12.698 -4.427 1.00 0.00 C ATOM 319 CG LYS A 24 -6.112 -11.945 -5.755 1.00 0.00 C ATOM 320 CD LYS A 24 -7.511 -12.069 -6.364 1.00 0.00 C ATOM 321 CE LYS A 24 -7.432 -12.425 -7.850 1.00 0.00 C ATOM 322 NZ LYS A 24 -8.457 -11.681 -8.616 1.00 0.00 N ATOM 0 H LYS A 24 -3.223 -11.447 -4.649 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.603 -13.447 -3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.537 -13.656 -4.513 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.535 -12.131 -3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.872 -10.893 -5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.372 -12.340 -6.451 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.076 -12.834 -5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.050 -11.130 -6.239 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.440 -12.189 -8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.578 -13.497 -7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.774 -12.257 -9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.268 -11.472 -7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.050 -10.790 -8.966 1.00 0.00 H new ATOM 385 N LEU A 29 0.915 -9.778 -10.601 1.00 0.00 N ATOM 386 CA LEU A 29 1.018 -8.354 -10.329 1.00 0.00 C ATOM 387 C LEU A 29 1.187 -8.138 -8.823 1.00 0.00 C ATOM 388 O LEU A 29 2.226 -7.659 -8.374 1.00 0.00 O ATOM 389 CB LEU A 29 -0.175 -7.606 -10.928 1.00 0.00 C ATOM 390 CG LEU A 29 -0.574 -8.009 -12.348 1.00 0.00 C ATOM 391 CD1 LEU A 29 -1.723 -7.139 -12.862 1.00 0.00 C ATOM 392 CD2 LEU A 29 0.633 -7.977 -13.288 1.00 0.00 C ATOM 0 HA LEU A 29 1.901 -7.937 -10.813 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.035 -7.752 -10.275 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.051 -6.540 -10.924 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.934 -9.037 -12.322 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.987 -7.446 -13.874 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.588 -7.256 -12.209 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.413 -6.094 -12.869 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.321 -8.268 -14.291 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.047 -6.969 -13.315 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.392 -8.671 -12.929 1.00 0.00 H new ATOM 404 N CYS A 30 0.148 -8.502 -8.086 1.00 0.00 N ATOM 405 CA CYS A 30 0.167 -8.354 -6.640 1.00 0.00 C ATOM 406 C CYS A 30 1.518 -8.854 -6.125 1.00 0.00 C ATOM 407 O CYS A 30 2.077 -8.288 -5.187 1.00 0.00 O ATOM 408 CB CYS A 30 -1.003 -9.086 -5.981 1.00 0.00 C ATOM 409 SG CYS A 30 -2.579 -8.575 -6.757 1.00 0.00 S ATOM 0 H CYS A 30 -0.713 -8.899 -8.463 1.00 0.00 H new ATOM 0 HA CYS A 30 0.045 -7.303 -6.377 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.871 -10.163 -6.081 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.026 -8.866 -4.914 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.566 -9.205 -6.191 1.00 0.00 H new ATOM 415 N ASP A 31 2.004 -9.910 -6.761 1.00 0.00 N ATOM 416 CA ASP A 31 3.278 -10.494 -6.378 1.00 0.00 C ATOM 417 C ASP A 31 4.393 -9.473 -6.616 1.00 0.00 C ATOM 418 O ASP A 31 5.251 -9.274 -5.757 1.00 0.00 O ATOM 419 CB ASP A 31 3.588 -11.737 -7.214 1.00 0.00 C ATOM 420 CG ASP A 31 5.048 -12.193 -7.177 1.00 0.00 C ATOM 421 OD1 ASP A 31 5.472 -12.654 -6.095 1.00 0.00 O ATOM 422 OD2 ASP A 31 5.708 -12.071 -8.232 1.00 0.00 O ATOM 0 H ASP A 31 1.538 -10.376 -7.539 1.00 0.00 H new ATOM 0 HA ASP A 31 3.219 -10.773 -5.326 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.958 -12.556 -6.867 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.311 -11.539 -8.249 1.00 0.00 H new ATOM 427 N GLU A 32 4.344 -8.854 -7.786 1.00 0.00 N ATOM 428 CA GLU A 32 5.340 -7.859 -8.148 1.00 0.00 C ATOM 429 C GLU A 32 5.137 -6.582 -7.329 1.00 0.00 C ATOM 430 O GLU A 32 6.093 -6.030 -6.787 1.00 0.00 O ATOM 431 CB GLU A 32 5.296 -7.560 -9.648 1.00 0.00 C ATOM 432 CG GLU A 32 6.708 -7.424 -10.221 1.00 0.00 C ATOM 433 CD GLU A 32 7.007 -8.547 -11.216 1.00 0.00 C ATOM 434 OE1 GLU A 32 7.121 -9.702 -10.752 1.00 0.00 O ATOM 435 OE2 GLU A 32 7.114 -8.225 -12.419 1.00 0.00 O ATOM 0 H GLU A 32 3.631 -9.022 -8.496 1.00 0.00 H new ATOM 0 HA GLU A 32 6.327 -8.261 -7.919 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.765 -8.358 -10.166 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.738 -6.640 -9.823 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.812 -6.458 -10.715 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.437 -7.448 -9.411 1.00 0.00 H new ATOM 442 N ALA A 33 3.886 -6.152 -7.264 1.00 0.00 N ATOM 443 CA ALA A 33 3.545 -4.951 -6.520 1.00 0.00 C ATOM 444 C ALA A 33 4.401 -4.881 -5.253 1.00 0.00 C ATOM 445 O ALA A 33 5.134 -3.915 -5.047 1.00 0.00 O ATOM 446 CB ALA A 33 2.046 -4.949 -6.212 1.00 0.00 C ATOM 0 H ALA A 33 3.096 -6.614 -7.714 1.00 0.00 H new ATOM 0 HA ALA A 33 3.757 -4.060 -7.111 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.790 -4.048 -5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.483 -4.970 -7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.796 -5.827 -5.617 1.00 0.00 H new ATOM 452 N LYS A 34 4.279 -5.918 -4.437 1.00 0.00 N ATOM 453 CA LYS A 34 5.032 -5.987 -3.196 1.00 0.00 C ATOM 454 C LYS A 34 6.491 -5.618 -3.470 1.00 0.00 C ATOM 455 O LYS A 34 7.063 -4.777 -2.777 1.00 0.00 O ATOM 456 CB LYS A 34 4.856 -7.357 -2.538 1.00 0.00 C ATOM 457 CG LYS A 34 3.472 -7.484 -1.899 1.00 0.00 C ATOM 458 CD LYS A 34 3.151 -8.945 -1.574 1.00 0.00 C ATOM 459 CE LYS A 34 1.801 -9.354 -2.165 1.00 0.00 C ATOM 460 NZ LYS A 34 1.826 -10.775 -2.579 1.00 0.00 N ATOM 0 H LYS A 34 3.670 -6.717 -4.611 1.00 0.00 H new ATOM 0 HA LYS A 34 4.649 -5.263 -2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.990 -8.142 -3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.625 -7.502 -1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.432 -6.888 -0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.717 -7.084 -2.575 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.936 -9.590 -1.969 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.137 -9.086 -0.493 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.013 -9.197 -1.429 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.567 -8.723 -3.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.926 -11.018 -3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.609 -10.928 -3.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.961 -11.378 -1.742 1.00 0.00 H new ATOM 474 N GLU A 35 7.052 -6.266 -4.480 1.00 0.00 N ATOM 475 CA GLU A 35 8.434 -6.016 -4.853 1.00 0.00 C ATOM 476 C GLU A 35 8.650 -4.526 -5.126 1.00 0.00 C ATOM 477 O GLU A 35 9.756 -4.015 -4.956 1.00 0.00 O ATOM 478 CB GLU A 35 8.835 -6.859 -6.066 1.00 0.00 C ATOM 479 CG GLU A 35 8.351 -8.302 -5.915 1.00 0.00 C ATOM 480 CD GLU A 35 9.151 -9.246 -6.815 1.00 0.00 C ATOM 481 OE1 GLU A 35 10.389 -9.273 -6.651 1.00 0.00 O ATOM 482 OE2 GLU A 35 8.505 -9.919 -7.648 1.00 0.00 O ATOM 0 H GLU A 35 6.575 -6.963 -5.051 1.00 0.00 H new ATOM 0 HA GLU A 35 9.073 -6.309 -4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.413 -6.423 -6.972 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.919 -6.845 -6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.449 -8.615 -4.876 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.293 -8.363 -6.168 1.00 0.00 H new ATOM 489 N VAL A 36 7.577 -3.872 -5.543 1.00 0.00 N ATOM 490 CA VAL A 36 7.635 -2.451 -5.841 1.00 0.00 C ATOM 491 C VAL A 36 7.554 -1.657 -4.535 1.00 0.00 C ATOM 492 O VAL A 36 7.912 -0.482 -4.496 1.00 0.00 O ATOM 493 CB VAL A 36 6.534 -2.079 -6.836 1.00 0.00 C ATOM 494 CG1 VAL A 36 6.724 -0.653 -7.356 1.00 0.00 C ATOM 495 CG2 VAL A 36 6.478 -3.081 -7.991 1.00 0.00 C ATOM 0 H VAL A 36 6.661 -4.300 -5.682 1.00 0.00 H new ATOM 0 HA VAL A 36 8.583 -2.199 -6.317 1.00 0.00 H new ATOM 0 HB VAL A 36 5.580 -2.119 -6.311 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.928 -0.414 -8.061 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.691 0.046 -6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.689 -0.574 -7.857 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.687 -2.794 -8.684 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.434 -3.087 -8.514 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.273 -4.077 -7.599 1.00 0.00 H new ATOM 505 N LEU A 37 7.079 -2.332 -3.498 1.00 0.00 N ATOM 506 CA LEU A 37 6.946 -1.705 -2.194 1.00 0.00 C ATOM 507 C LEU A 37 8.100 -2.156 -1.296 1.00 0.00 C ATOM 508 O LEU A 37 8.055 -1.970 -0.081 1.00 0.00 O ATOM 509 CB LEU A 37 5.563 -1.984 -1.604 1.00 0.00 C ATOM 510 CG LEU A 37 4.376 -1.395 -2.370 1.00 0.00 C ATOM 511 CD1 LEU A 37 3.112 -1.397 -1.508 1.00 0.00 C ATOM 512 CD2 LEU A 37 4.705 0.001 -2.903 1.00 0.00 C ATOM 0 H LEU A 37 6.782 -3.307 -3.535 1.00 0.00 H new ATOM 0 HA LEU A 37 7.016 -0.621 -2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.428 -3.064 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.540 -1.598 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 37 4.178 -2.030 -3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.284 -0.973 -2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.869 -2.420 -1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.281 -0.799 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.845 0.396 -3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.945 0.661 -2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.560 -0.059 -3.576 1.00 0.00 H new ATOM 524 N GLN A 38 9.107 -2.740 -1.929 1.00 0.00 N ATOM 525 CA GLN A 38 10.271 -3.219 -1.202 1.00 0.00 C ATOM 526 C GLN A 38 11.021 -2.045 -0.569 1.00 0.00 C ATOM 527 O GLN A 38 11.320 -2.066 0.624 1.00 0.00 O ATOM 528 CB GLN A 38 11.192 -4.030 -2.115 1.00 0.00 C ATOM 529 CG GLN A 38 11.042 -5.530 -1.853 1.00 0.00 C ATOM 530 CD GLN A 38 12.410 -6.201 -1.710 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.608 -7.103 -0.914 1.00 0.00 O ATOM 532 NE2 GLN A 38 13.340 -5.711 -2.525 1.00 0.00 N ATOM 0 H GLN A 38 9.141 -2.892 -2.937 1.00 0.00 H new ATOM 0 HA GLN A 38 9.931 -3.880 -0.405 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.958 -3.814 -3.158 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.227 -3.730 -1.952 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.459 -5.688 -0.946 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.490 -5.992 -2.671 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.107 -4.954 -3.168 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.286 -6.092 -2.507 1.00 0.00 H new ATOM 541 N PRO A 39 11.311 -1.023 -1.418 1.00 0.00 N ATOM 542 CA PRO A 39 12.021 0.157 -0.954 1.00 0.00 C ATOM 543 C PRO A 39 11.102 1.059 -0.127 1.00 0.00 C ATOM 544 O PRO A 39 11.516 2.127 0.321 1.00 0.00 O ATOM 545 CB PRO A 39 12.534 0.829 -2.217 1.00 0.00 C ATOM 546 CG PRO A 39 11.704 0.262 -3.357 1.00 0.00 C ATOM 547 CD PRO A 39 10.973 -0.964 -2.837 1.00 0.00 C ATOM 0 HA PRO A 39 12.846 -0.084 -0.284 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.425 1.912 -2.155 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.594 0.624 -2.366 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.993 1.005 -3.718 1.00 0.00 H new ATOM 0 HG3 PRO A 39 12.343 -0.003 -4.199 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.897 -0.875 -2.984 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.293 -1.866 -3.358 1.00 0.00 H new ATOM 555 N TYR A 40 9.874 0.595 0.050 1.00 0.00 N ATOM 556 CA TYR A 40 8.894 1.347 0.815 1.00 0.00 C ATOM 557 C TYR A 40 8.364 0.521 1.989 1.00 0.00 C ATOM 558 O TYR A 40 7.508 0.983 2.742 1.00 0.00 O ATOM 559 CB TYR A 40 7.741 1.640 -0.148 1.00 0.00 C ATOM 560 CG TYR A 40 8.155 2.430 -1.391 1.00 0.00 C ATOM 561 CD1 TYR A 40 8.135 3.810 -1.369 1.00 0.00 C ATOM 562 CD2 TYR A 40 8.547 1.764 -2.533 1.00 0.00 C ATOM 563 CE1 TYR A 40 8.524 4.554 -2.539 1.00 0.00 C ATOM 564 CE2 TYR A 40 8.936 2.508 -3.703 1.00 0.00 C ATOM 565 CZ TYR A 40 8.906 3.866 -3.648 1.00 0.00 C ATOM 566 OH TYR A 40 9.273 4.569 -4.753 1.00 0.00 O ATOM 0 H TYR A 40 9.535 -0.292 -0.323 1.00 0.00 H new ATOM 0 HA TYR A 40 9.340 2.255 1.222 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.294 0.697 -0.462 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.969 2.197 0.384 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.828 4.332 -0.475 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.562 0.684 -2.550 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.513 5.634 -2.536 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.245 1.999 -4.604 1.00 0.00 H new ATOM 0 HH TYR A 40 9.522 3.947 -5.468 1.00 0.00 H new ATOM 576 N LYS A 41 8.895 -0.687 2.109 1.00 0.00 N ATOM 577 CA LYS A 41 8.487 -1.581 3.179 1.00 0.00 C ATOM 578 C LYS A 41 8.719 -0.897 4.527 1.00 0.00 C ATOM 579 O LYS A 41 7.997 -1.151 5.489 1.00 0.00 O ATOM 580 CB LYS A 41 9.192 -2.933 3.045 1.00 0.00 C ATOM 581 CG LYS A 41 10.657 -2.831 3.474 1.00 0.00 C ATOM 582 CD LYS A 41 10.860 -3.410 4.876 1.00 0.00 C ATOM 583 CE LYS A 41 11.872 -2.582 5.670 1.00 0.00 C ATOM 584 NZ LYS A 41 12.840 -3.467 6.356 1.00 0.00 N ATOM 0 H LYS A 41 9.604 -1.067 1.483 1.00 0.00 H new ATOM 0 HA LYS A 41 7.420 -1.795 3.110 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.681 -3.676 3.657 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.135 -3.277 2.012 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.286 -3.365 2.762 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.972 -1.788 3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.908 -3.432 5.406 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.207 -4.441 4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.401 -1.904 5.001 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.351 -1.965 6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.520 -2.890 6.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.332 -4.097 7.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.349 -4.037 5.651 1.00 0.00 H new ATOM 598 N ASP A 42 9.731 -0.041 4.554 1.00 0.00 N ATOM 599 CA ASP A 42 10.067 0.682 5.768 1.00 0.00 C ATOM 600 C ASP A 42 9.378 2.048 5.751 1.00 0.00 C ATOM 601 O ASP A 42 9.235 2.688 6.791 1.00 0.00 O ATOM 602 CB ASP A 42 11.576 0.914 5.870 1.00 0.00 C ATOM 603 CG ASP A 42 12.011 1.850 7.000 1.00 0.00 C ATOM 604 OD1 ASP A 42 11.339 1.818 8.054 1.00 0.00 O ATOM 605 OD2 ASP A 42 13.006 2.575 6.785 1.00 0.00 O ATOM 0 H ASP A 42 10.329 0.167 3.754 1.00 0.00 H new ATOM 0 HA ASP A 42 9.735 0.086 6.618 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.068 -0.049 6.006 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.931 1.322 4.924 1.00 0.00 H new ATOM 610 N ARG A 43 8.970 2.454 4.558 1.00 0.00 N ATOM 611 CA ARG A 43 8.300 3.732 4.391 1.00 0.00 C ATOM 612 C ARG A 43 6.926 3.703 5.064 1.00 0.00 C ATOM 613 O ARG A 43 6.286 4.741 5.224 1.00 0.00 O ATOM 614 CB ARG A 43 8.127 4.075 2.910 1.00 0.00 C ATOM 615 CG ARG A 43 9.473 4.407 2.264 1.00 0.00 C ATOM 616 CD ARG A 43 9.994 5.762 2.748 1.00 0.00 C ATOM 617 NE ARG A 43 10.757 5.591 4.004 1.00 0.00 N ATOM 618 CZ ARG A 43 11.041 6.589 4.852 1.00 0.00 C ATOM 619 NH1 ARG A 43 10.627 7.835 4.583 1.00 0.00 N ATOM 620 NH2 ARG A 43 11.738 6.341 5.969 1.00 0.00 N ATOM 0 H ARG A 43 9.091 1.920 3.697 1.00 0.00 H new ATOM 0 HA ARG A 43 8.922 4.495 4.859 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.667 3.235 2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.450 4.923 2.806 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.197 3.628 2.503 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.366 4.421 1.179 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.630 6.210 1.985 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.160 6.445 2.909 1.00 0.00 H new ATOM 0 HE ARG A 43 11.087 4.655 4.239 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.096 8.024 3.733 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.843 8.595 5.228 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.052 5.393 6.174 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.954 7.101 6.614 1.00 0.00 H new ATOM 634 N PHE A 44 6.513 2.502 5.441 1.00 0.00 N ATOM 635 CA PHE A 44 5.227 2.323 6.094 1.00 0.00 C ATOM 636 C PHE A 44 4.973 0.848 6.412 1.00 0.00 C ATOM 637 O PHE A 44 5.761 -0.017 6.032 1.00 0.00 O ATOM 638 CB PHE A 44 4.157 2.812 5.115 1.00 0.00 C ATOM 639 CG PHE A 44 4.300 2.244 3.702 1.00 0.00 C ATOM 640 CD1 PHE A 44 4.158 0.908 3.489 1.00 0.00 C ATOM 641 CD2 PHE A 44 4.568 3.074 2.659 1.00 0.00 C ATOM 642 CE1 PHE A 44 4.291 0.380 2.178 1.00 0.00 C ATOM 643 CE2 PHE A 44 4.700 2.546 1.347 1.00 0.00 C ATOM 644 CZ PHE A 44 4.559 1.210 1.134 1.00 0.00 C ATOM 0 H PHE A 44 7.046 1.643 5.307 1.00 0.00 H new ATOM 0 HA PHE A 44 5.206 2.878 7.032 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.174 2.546 5.504 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.196 3.900 5.064 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.944 0.249 4.317 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.681 4.135 2.828 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.179 -0.681 2.009 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.912 3.205 0.518 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.660 0.808 0.137 1.00 0.00 H new ATOM 654 N ILE A 45 3.871 0.607 7.107 1.00 0.00 N ATOM 655 CA ILE A 45 3.504 -0.749 7.480 1.00 0.00 C ATOM 656 C ILE A 45 2.585 -1.338 6.408 1.00 0.00 C ATOM 657 O ILE A 45 1.389 -1.053 6.386 1.00 0.00 O ATOM 658 CB ILE A 45 2.902 -0.772 8.887 1.00 0.00 C ATOM 659 CG1 ILE A 45 3.958 -0.436 9.941 1.00 0.00 C ATOM 660 CG2 ILE A 45 2.217 -2.111 9.168 1.00 0.00 C ATOM 661 CD1 ILE A 45 3.315 0.188 11.182 1.00 0.00 C ATOM 0 H ILE A 45 3.221 1.327 7.421 1.00 0.00 H new ATOM 0 HA ILE A 45 4.388 -1.385 7.525 1.00 0.00 H new ATOM 0 HB ILE A 45 2.135 0.000 8.943 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.497 -1.341 10.222 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.690 0.254 9.521 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.798 -2.101 10.174 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.418 -2.270 8.444 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.946 -2.917 9.087 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.088 0.417 11.916 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.797 1.105 10.901 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.601 -0.514 11.614 1.00 0.00 H new ATOM 673 N LEU A 46 3.180 -2.148 5.545 1.00 0.00 N ATOM 674 CA LEU A 46 2.430 -2.779 4.473 1.00 0.00 C ATOM 675 C LEU A 46 1.526 -3.865 5.059 1.00 0.00 C ATOM 676 O LEU A 46 2.010 -4.890 5.538 1.00 0.00 O ATOM 677 CB LEU A 46 3.377 -3.289 3.384 1.00 0.00 C ATOM 678 CG LEU A 46 2.713 -3.923 2.160 1.00 0.00 C ATOM 679 CD1 LEU A 46 1.847 -2.904 1.417 1.00 0.00 C ATOM 680 CD2 LEU A 46 3.755 -4.567 1.243 1.00 0.00 C ATOM 0 H LEU A 46 4.173 -2.382 5.566 1.00 0.00 H new ATOM 0 HA LEU A 46 1.781 -2.053 3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.994 -2.456 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.049 -4.023 3.829 1.00 0.00 H new ATOM 0 HG LEU A 46 2.051 -4.718 2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.387 -3.380 0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.069 -2.533 2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.468 -2.072 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.257 -5.010 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.460 -3.808 0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.292 -5.342 1.790 1.00 0.00 H new ATOM 692 N GLN A 47 0.228 -3.605 5.002 1.00 0.00 N ATOM 693 CA GLN A 47 -0.748 -4.547 5.522 1.00 0.00 C ATOM 694 C GLN A 47 -1.225 -5.484 4.411 1.00 0.00 C ATOM 695 O GLN A 47 -2.033 -5.094 3.569 1.00 0.00 O ATOM 696 CB GLN A 47 -1.927 -3.815 6.167 1.00 0.00 C ATOM 697 CG GLN A 47 -2.394 -4.537 7.433 1.00 0.00 C ATOM 698 CD GLN A 47 -2.000 -6.015 7.398 1.00 0.00 C ATOM 699 OE1 GLN A 47 -2.644 -6.841 6.773 1.00 0.00 O ATOM 700 NE2 GLN A 47 -0.910 -6.301 8.104 1.00 0.00 N ATOM 0 H GLN A 47 -0.170 -2.755 4.603 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.269 -5.147 6.296 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.635 -2.794 6.413 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.751 -3.749 5.457 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.956 -4.061 8.310 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.476 -4.448 7.529 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.418 -5.561 8.604 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.566 -7.260 8.145 1.00 0.00 H new ATOM 709 N GLU A 48 -0.705 -6.702 4.444 1.00 0.00 N ATOM 710 CA GLU A 48 -1.068 -7.698 3.450 1.00 0.00 C ATOM 711 C GLU A 48 -2.377 -8.386 3.841 1.00 0.00 C ATOM 712 O GLU A 48 -2.383 -9.284 4.682 1.00 0.00 O ATOM 713 CB GLU A 48 0.054 -8.721 3.263 1.00 0.00 C ATOM 714 CG GLU A 48 0.873 -8.413 2.007 1.00 0.00 C ATOM 715 CD GLU A 48 2.337 -8.817 2.194 1.00 0.00 C ATOM 716 OE1 GLU A 48 2.591 -10.041 2.206 1.00 0.00 O ATOM 717 OE2 GLU A 48 3.168 -7.893 2.321 1.00 0.00 O ATOM 0 H GLU A 48 -0.035 -7.022 5.143 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.217 -7.192 2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.706 -8.715 4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.370 -9.722 3.188 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.451 -8.945 1.154 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.812 -7.349 1.781 1.00 0.00 H new ATOM 724 N VAL A 49 -3.455 -7.939 3.213 1.00 0.00 N ATOM 725 CA VAL A 49 -4.767 -8.500 3.485 1.00 0.00 C ATOM 726 C VAL A 49 -5.062 -9.610 2.474 1.00 0.00 C ATOM 727 O VAL A 49 -4.788 -9.459 1.284 1.00 0.00 O ATOM 728 CB VAL A 49 -5.822 -7.392 3.481 1.00 0.00 C ATOM 729 CG1 VAL A 49 -7.221 -7.965 3.716 1.00 0.00 C ATOM 730 CG2 VAL A 49 -5.489 -6.315 4.516 1.00 0.00 C ATOM 0 H VAL A 49 -3.446 -7.194 2.516 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.791 -8.949 4.478 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.813 -6.925 2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.952 -7.156 3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.460 -8.677 2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.250 -8.471 4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.254 -5.539 4.493 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.456 -6.763 5.509 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.519 -5.875 4.284 1.00 0.00 H new ATOM 740 N ASP A 50 -5.617 -10.699 2.984 1.00 0.00 N ATOM 741 CA ASP A 50 -5.952 -11.834 2.140 1.00 0.00 C ATOM 742 C ASP A 50 -7.435 -11.768 1.770 1.00 0.00 C ATOM 743 O ASP A 50 -8.297 -12.098 2.584 1.00 0.00 O ATOM 744 CB ASP A 50 -5.705 -13.155 2.870 1.00 0.00 C ATOM 745 CG ASP A 50 -4.329 -13.780 2.629 1.00 0.00 C ATOM 746 OD1 ASP A 50 -3.379 -12.995 2.418 1.00 0.00 O ATOM 747 OD2 ASP A 50 -4.258 -15.027 2.661 1.00 0.00 O ATOM 0 H ASP A 50 -5.843 -10.820 3.971 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.323 -11.791 1.251 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.830 -12.990 3.940 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.470 -13.869 2.566 1.00 0.00 H new ATOM 752 N ILE A 51 -7.687 -11.340 0.542 1.00 0.00 N ATOM 753 CA ILE A 51 -9.051 -11.227 0.054 1.00 0.00 C ATOM 754 C ILE A 51 -9.568 -12.615 -0.330 1.00 0.00 C ATOM 755 O ILE A 51 -10.776 -12.828 -0.424 1.00 0.00 O ATOM 756 CB ILE A 51 -9.132 -10.205 -1.082 1.00 0.00 C ATOM 757 CG1 ILE A 51 -8.345 -10.681 -2.305 1.00 0.00 C ATOM 758 CG2 ILE A 51 -8.674 -8.823 -0.609 1.00 0.00 C ATOM 759 CD1 ILE A 51 -8.836 -9.986 -3.576 1.00 0.00 C ATOM 0 H ILE A 51 -6.970 -11.067 -0.130 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.705 -10.848 0.839 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.175 -10.113 -1.386 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.284 -10.477 -2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.450 -11.761 -2.412 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.741 -8.115 -1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.312 -8.488 0.209 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.642 -8.880 -0.263 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.261 -10.342 -4.431 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.891 -10.212 -3.730 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.707 -8.908 -3.475 1.00 0.00 H new ATOM 771 N THR A 52 -8.627 -13.523 -0.543 1.00 0.00 N ATOM 772 CA THR A 52 -8.972 -14.885 -0.916 1.00 0.00 C ATOM 773 C THR A 52 -9.708 -15.581 0.231 1.00 0.00 C ATOM 774 O THR A 52 -10.238 -16.677 0.058 1.00 0.00 O ATOM 775 CB THR A 52 -7.686 -15.600 -1.335 1.00 0.00 C ATOM 776 OG1 THR A 52 -6.751 -15.262 -0.314 1.00 0.00 O ATOM 777 CG2 THR A 52 -7.076 -15.010 -2.609 1.00 0.00 C ATOM 0 H THR A 52 -7.626 -13.343 -0.465 1.00 0.00 H new ATOM 0 HA THR A 52 -9.661 -14.902 -1.761 1.00 0.00 H new ATOM 0 HB THR A 52 -7.894 -16.659 -1.489 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.110 -14.608 -0.661 1.00 0.00 H new ATOM 0 HG21 THR A 52 -6.166 -15.554 -2.862 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.790 -15.096 -3.428 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.837 -13.959 -2.445 1.00 0.00 H new ATOM 785 N LEU A 53 -9.716 -14.916 1.376 1.00 0.00 N ATOM 786 CA LEU A 53 -10.379 -15.457 2.551 1.00 0.00 C ATOM 787 C LEU A 53 -11.881 -15.185 2.454 1.00 0.00 C ATOM 788 O LEU A 53 -12.311 -14.309 1.706 1.00 0.00 O ATOM 789 CB LEU A 53 -9.736 -14.911 3.828 1.00 0.00 C ATOM 790 CG LEU A 53 -8.420 -15.567 4.250 1.00 0.00 C ATOM 791 CD1 LEU A 53 -7.739 -14.765 5.361 1.00 0.00 C ATOM 792 CD2 LEU A 53 -8.639 -17.028 4.649 1.00 0.00 C ATOM 0 H LEU A 53 -9.274 -14.007 1.516 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.253 -16.539 2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.560 -13.844 3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.450 -15.017 4.645 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.747 -15.565 3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.806 -15.253 5.642 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.528 -13.757 5.005 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.397 -14.713 6.228 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.688 -17.471 4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.337 -17.076 5.485 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.048 -17.579 3.802 1.00 0.00 H new ATOM 804 N PRO A 54 -12.660 -15.974 3.243 1.00 0.00 N ATOM 805 CA PRO A 54 -14.105 -15.828 3.253 1.00 0.00 C ATOM 806 C PRO A 54 -14.524 -14.578 4.030 1.00 0.00 C ATOM 807 O PRO A 54 -15.412 -13.843 3.600 1.00 0.00 O ATOM 808 CB PRO A 54 -14.626 -17.114 3.872 1.00 0.00 C ATOM 809 CG PRO A 54 -13.448 -17.731 4.608 1.00 0.00 C ATOM 810 CD PRO A 54 -12.186 -17.022 4.142 1.00 0.00 C ATOM 0 HA PRO A 54 -14.520 -15.685 2.255 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.451 -16.912 4.555 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -15.005 -17.790 3.106 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.571 -17.622 5.686 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -13.385 -18.799 4.400 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.634 -16.602 4.983 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.512 -17.709 3.629 1.00 0.00 H new ATOM 818 N GLU A 55 -13.865 -14.375 5.162 1.00 0.00 N ATOM 819 CA GLU A 55 -14.158 -13.227 6.003 1.00 0.00 C ATOM 820 C GLU A 55 -13.736 -11.934 5.302 1.00 0.00 C ATOM 821 O GLU A 55 -14.273 -10.865 5.587 1.00 0.00 O ATOM 822 CB GLU A 55 -13.478 -13.358 7.367 1.00 0.00 C ATOM 823 CG GLU A 55 -11.955 -13.332 7.224 1.00 0.00 C ATOM 824 CD GLU A 55 -11.274 -13.498 8.585 1.00 0.00 C ATOM 825 OE1 GLU A 55 -11.228 -14.654 9.059 1.00 0.00 O ATOM 826 OE2 GLU A 55 -10.815 -12.466 9.119 1.00 0.00 O ATOM 0 H GLU A 55 -13.129 -14.986 5.516 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.234 -13.191 6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.800 -12.545 8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.786 -14.289 7.843 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.635 -14.130 6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.645 -12.391 6.770 1.00 0.00 H new ATOM 833 N ASN A 56 -12.778 -12.074 4.397 1.00 0.00 N ATOM 834 CA ASN A 56 -12.278 -10.931 3.653 1.00 0.00 C ATOM 835 C ASN A 56 -12.901 -10.925 2.256 1.00 0.00 C ATOM 836 O ASN A 56 -12.516 -10.125 1.404 1.00 0.00 O ATOM 837 CB ASN A 56 -10.758 -11.000 3.493 1.00 0.00 C ATOM 838 CG ASN A 56 -10.059 -10.900 4.851 1.00 0.00 C ATOM 839 OD1 ASN A 56 -10.497 -10.208 5.754 1.00 0.00 O ATOM 840 ND2 ASN A 56 -8.949 -11.627 4.942 1.00 0.00 N ATOM 0 H ASN A 56 -12.335 -12.962 4.162 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.542 -10.028 4.204 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.482 -11.935 3.006 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.420 -10.191 2.845 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.409 -11.627 5.807 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.638 -12.185 4.147 1.00 0.00 H new ATOM 847 N SER A 57 -13.852 -11.827 2.063 1.00 0.00 N ATOM 848 CA SER A 57 -14.531 -11.936 0.783 1.00 0.00 C ATOM 849 C SER A 57 -15.032 -10.561 0.338 1.00 0.00 C ATOM 850 O SER A 57 -15.270 -10.337 -0.848 1.00 0.00 O ATOM 851 CB SER A 57 -15.695 -12.926 0.860 1.00 0.00 C ATOM 852 OG SER A 57 -16.638 -12.724 -0.189 1.00 0.00 O ATOM 0 H SER A 57 -14.168 -12.489 2.772 1.00 0.00 H new ATOM 0 HA SER A 57 -13.818 -12.311 0.048 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.309 -13.944 0.809 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.196 -12.823 1.823 1.00 0.00 H new ATOM 0 HG SER A 57 -17.232 -11.980 0.044 1.00 0.00 H new ATOM 858 N THR A 58 -15.179 -9.676 1.313 1.00 0.00 N ATOM 859 CA THR A 58 -15.648 -8.329 1.037 1.00 0.00 C ATOM 860 C THR A 58 -14.573 -7.532 0.295 1.00 0.00 C ATOM 861 O THR A 58 -14.863 -6.866 -0.698 1.00 0.00 O ATOM 862 CB THR A 58 -16.068 -7.693 2.363 1.00 0.00 C ATOM 863 OG1 THR A 58 -17.402 -8.155 2.562 1.00 0.00 O ATOM 864 CG2 THR A 58 -16.212 -6.173 2.264 1.00 0.00 C ATOM 0 H THR A 58 -14.981 -9.866 2.296 1.00 0.00 H new ATOM 0 HA THR A 58 -16.515 -8.340 0.376 1.00 0.00 H new ATOM 0 HB THR A 58 -15.335 -7.939 3.132 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.752 -7.791 3.402 1.00 0.00 H new ATOM 0 HG21 THR A 58 -16.512 -5.772 3.232 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.258 -5.736 1.970 1.00 0.00 H new ATOM 0 HG23 THR A 58 -16.969 -5.927 1.519 1.00 0.00 H new ATOM 872 N TRP A 59 -13.354 -7.626 0.805 1.00 0.00 N ATOM 873 CA TRP A 59 -12.234 -6.922 0.204 1.00 0.00 C ATOM 874 C TRP A 59 -12.026 -7.481 -1.205 1.00 0.00 C ATOM 875 O TRP A 59 -11.343 -6.869 -2.025 1.00 0.00 O ATOM 876 CB TRP A 59 -10.984 -7.029 1.080 1.00 0.00 C ATOM 877 CG TRP A 59 -10.989 -6.090 2.288 1.00 0.00 C ATOM 878 CD1 TRP A 59 -11.169 -6.406 3.578 1.00 0.00 C ATOM 879 CD2 TRP A 59 -10.796 -4.660 2.266 1.00 0.00 C ATOM 880 NE1 TRP A 59 -11.107 -5.289 4.385 1.00 0.00 N ATOM 881 CE2 TRP A 59 -10.873 -4.194 3.563 1.00 0.00 C ATOM 882 CE3 TRP A 59 -10.565 -3.790 1.187 1.00 0.00 C ATOM 883 CZ2 TRP A 59 -10.730 -2.843 3.901 1.00 0.00 C ATOM 884 CZ3 TRP A 59 -10.424 -2.443 1.542 1.00 0.00 C ATOM 885 CH2 TRP A 59 -10.498 -1.957 2.842 1.00 0.00 C ATOM 0 H TRP A 59 -13.117 -8.179 1.628 1.00 0.00 H new ATOM 0 HA TRP A 59 -12.445 -5.855 0.128 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -10.886 -8.056 1.431 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.106 -6.815 0.470 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -11.341 -7.409 3.940 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -11.213 -5.271 5.399 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -10.501 -4.133 0.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -10.795 -2.502 4.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.245 -1.731 0.750 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.377 -0.901 3.034 1.00 0.00 H new ATOM 896 N TYR A 60 -12.627 -8.638 -1.443 1.00 0.00 N ATOM 897 CA TYR A 60 -12.516 -9.286 -2.739 1.00 0.00 C ATOM 898 C TYR A 60 -13.668 -8.875 -3.658 1.00 0.00 C ATOM 899 O TYR A 60 -13.441 -8.363 -4.753 1.00 0.00 O ATOM 900 CB TYR A 60 -12.608 -10.789 -2.467 1.00 0.00 C ATOM 901 CG TYR A 60 -12.326 -11.661 -3.692 1.00 0.00 C ATOM 902 CD1 TYR A 60 -13.327 -11.904 -4.611 1.00 0.00 C ATOM 903 CD2 TYR A 60 -11.072 -12.205 -3.879 1.00 0.00 C ATOM 904 CE1 TYR A 60 -13.062 -12.724 -5.764 1.00 0.00 C ATOM 905 CE2 TYR A 60 -10.807 -13.026 -5.032 1.00 0.00 C ATOM 906 CZ TYR A 60 -11.815 -13.245 -5.918 1.00 0.00 C ATOM 907 OH TYR A 60 -11.565 -14.020 -7.007 1.00 0.00 O ATOM 0 H TYR A 60 -13.192 -9.143 -0.760 1.00 0.00 H new ATOM 0 HA TYR A 60 -11.584 -9.006 -3.230 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.902 -11.049 -1.678 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.605 -11.020 -2.091 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -14.309 -11.479 -4.465 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.289 -12.015 -3.160 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -13.836 -12.921 -6.491 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.830 -13.458 -5.189 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.633 -14.322 -6.986 1.00 0.00 H new ATOM 917 N GLU A 61 -14.880 -9.116 -3.179 1.00 0.00 N ATOM 918 CA GLU A 61 -16.068 -8.777 -3.944 1.00 0.00 C ATOM 919 C GLU A 61 -16.006 -7.319 -4.403 1.00 0.00 C ATOM 920 O GLU A 61 -16.698 -6.930 -5.342 1.00 0.00 O ATOM 921 CB GLU A 61 -17.337 -9.043 -3.132 1.00 0.00 C ATOM 922 CG GLU A 61 -17.590 -10.545 -2.984 1.00 0.00 C ATOM 923 CD GLU A 61 -18.715 -10.816 -1.983 1.00 0.00 C ATOM 924 OE1 GLU A 61 -19.886 -10.752 -2.415 1.00 0.00 O ATOM 925 OE2 GLU A 61 -18.378 -11.081 -0.809 1.00 0.00 O ATOM 0 H GLU A 61 -15.065 -9.542 -2.271 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.101 -9.414 -4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.244 -8.588 -2.146 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.191 -8.573 -3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -17.850 -10.971 -3.953 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.677 -11.040 -2.653 1.00 0.00 H new ATOM 932 N ARG A 62 -15.170 -6.552 -3.719 1.00 0.00 N ATOM 933 CA ARG A 62 -15.008 -5.145 -4.045 1.00 0.00 C ATOM 934 C ARG A 62 -13.787 -4.946 -4.946 1.00 0.00 C ATOM 935 O ARG A 62 -13.796 -4.090 -5.829 1.00 0.00 O ATOM 936 CB ARG A 62 -14.843 -4.302 -2.779 1.00 0.00 C ATOM 937 CG ARG A 62 -13.447 -4.482 -2.179 1.00 0.00 C ATOM 938 CD ARG A 62 -13.240 -3.550 -0.983 1.00 0.00 C ATOM 939 NE ARG A 62 -13.696 -2.183 -1.322 1.00 0.00 N ATOM 940 CZ ARG A 62 -14.013 -1.251 -0.414 1.00 0.00 C ATOM 941 NH1 ARG A 62 -13.927 -1.532 0.894 1.00 0.00 N ATOM 942 NH2 ARG A 62 -14.418 -0.037 -0.812 1.00 0.00 N ATOM 0 H ARG A 62 -14.597 -6.878 -2.940 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.907 -4.820 -4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.009 -3.251 -3.014 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.597 -4.588 -2.046 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.313 -5.517 -1.865 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -12.692 -4.278 -2.938 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -13.792 -3.923 -0.121 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.187 -3.532 -0.703 1.00 0.00 H new ATOM 0 HE ARG A 62 -13.774 -1.936 -2.308 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.620 -2.456 1.198 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.169 -0.822 1.585 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.485 0.178 -1.807 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.659 0.672 -0.120 1.00 0.00 H new ATOM 956 N TYR A 63 -12.766 -5.750 -4.690 1.00 0.00 N ATOM 957 CA TYR A 63 -11.540 -5.673 -5.467 1.00 0.00 C ATOM 958 C TYR A 63 -11.100 -7.061 -5.936 1.00 0.00 C ATOM 959 O TYR A 63 -10.072 -7.573 -5.493 1.00 0.00 O ATOM 960 CB TYR A 63 -10.478 -5.106 -4.523 1.00 0.00 C ATOM 961 CG TYR A 63 -10.730 -3.657 -4.101 1.00 0.00 C ATOM 962 CD1 TYR A 63 -11.118 -2.722 -5.040 1.00 0.00 C ATOM 963 CD2 TYR A 63 -10.570 -3.284 -2.782 1.00 0.00 C ATOM 964 CE1 TYR A 63 -11.356 -1.359 -4.642 1.00 0.00 C ATOM 965 CE2 TYR A 63 -10.808 -1.921 -2.385 1.00 0.00 C ATOM 966 CZ TYR A 63 -11.189 -1.025 -3.335 1.00 0.00 C ATOM 967 OH TYR A 63 -11.413 0.263 -2.959 1.00 0.00 O ATOM 0 H TYR A 63 -12.762 -6.458 -3.956 1.00 0.00 H new ATOM 0 HA TYR A 63 -11.685 -5.055 -6.353 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.429 -5.730 -3.631 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.504 -5.168 -5.009 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -11.243 -3.013 -6.073 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.266 -4.015 -2.047 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.661 -0.618 -5.366 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.687 -1.617 -1.356 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.610 0.622 -2.527 1.00 0.00 H new ATOM 977 N LYS A 64 -11.899 -7.631 -6.826 1.00 0.00 N ATOM 978 CA LYS A 64 -11.604 -8.950 -7.359 1.00 0.00 C ATOM 979 C LYS A 64 -10.971 -8.805 -8.745 1.00 0.00 C ATOM 980 O LYS A 64 -10.392 -9.755 -9.269 1.00 0.00 O ATOM 981 CB LYS A 64 -12.858 -9.826 -7.345 1.00 0.00 C ATOM 982 CG LYS A 64 -13.904 -9.302 -8.331 1.00 0.00 C ATOM 983 CD LYS A 64 -15.264 -9.961 -8.089 1.00 0.00 C ATOM 984 CE LYS A 64 -16.358 -8.908 -7.904 1.00 0.00 C ATOM 985 NZ LYS A 64 -17.265 -9.290 -6.798 1.00 0.00 N ATOM 0 H LYS A 64 -12.750 -7.204 -7.191 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.878 -9.462 -6.728 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.592 -10.851 -7.602 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.279 -9.848 -6.340 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.996 -8.221 -8.228 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.577 -9.498 -9.352 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.514 -10.607 -8.931 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.212 -10.596 -7.205 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.906 -7.939 -7.693 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.927 -8.800 -8.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.217 -9.472 -7.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.906 -10.150 -6.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.310 -8.517 -6.104 1.00 0.00 H new ATOM 999 N PHE A 65 -11.103 -7.609 -9.298 1.00 0.00 N ATOM 1000 CA PHE A 65 -10.551 -7.327 -10.612 1.00 0.00 C ATOM 1001 C PHE A 65 -9.928 -5.930 -10.658 1.00 0.00 C ATOM 1002 O PHE A 65 -9.604 -5.426 -11.732 1.00 0.00 O ATOM 1003 CB PHE A 65 -11.711 -7.388 -11.607 1.00 0.00 C ATOM 1004 CG PHE A 65 -12.978 -6.676 -11.130 1.00 0.00 C ATOM 1005 CD1 PHE A 65 -12.982 -5.325 -10.975 1.00 0.00 C ATOM 1006 CD2 PHE A 65 -14.102 -7.394 -10.860 1.00 0.00 C ATOM 1007 CE1 PHE A 65 -14.158 -4.664 -10.532 1.00 0.00 C ATOM 1008 CE2 PHE A 65 -15.278 -6.733 -10.417 1.00 0.00 C ATOM 1009 CZ PHE A 65 -15.281 -5.382 -10.262 1.00 0.00 C ATOM 0 H PHE A 65 -11.584 -6.824 -8.860 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.772 -8.051 -10.851 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -11.391 -6.945 -12.550 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.948 -8.432 -11.810 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -12.090 -4.755 -11.189 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -14.100 -8.467 -10.983 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -14.161 -3.591 -10.409 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -16.170 -7.303 -10.203 1.00 0.00 H new ATOM 0 HZ PHE A 65 -16.175 -4.879 -9.924 1.00 0.00 H new ATOM 1019 N ASP A 66 -9.781 -5.344 -9.479 1.00 0.00 N ATOM 1020 CA ASP A 66 -9.204 -4.015 -9.371 1.00 0.00 C ATOM 1021 C ASP A 66 -7.970 -4.072 -8.468 1.00 0.00 C ATOM 1022 O ASP A 66 -7.685 -3.123 -7.739 1.00 0.00 O ATOM 1023 CB ASP A 66 -10.198 -3.031 -8.751 1.00 0.00 C ATOM 1024 CG ASP A 66 -11.671 -3.351 -9.010 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -12.125 -4.395 -8.493 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -12.311 -2.545 -9.720 1.00 0.00 O ATOM 0 H ASP A 66 -10.051 -5.765 -8.590 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.942 -3.679 -10.374 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.032 -3.000 -7.674 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.986 -2.033 -9.135 1.00 0.00 H new ATOM 1031 N ILE A 67 -7.270 -5.194 -8.547 1.00 0.00 N ATOM 1032 CA ILE A 67 -6.073 -5.387 -7.746 1.00 0.00 C ATOM 1033 C ILE A 67 -4.843 -5.339 -8.655 1.00 0.00 C ATOM 1034 O ILE A 67 -4.960 -5.476 -9.872 1.00 0.00 O ATOM 1035 CB ILE A 67 -6.180 -6.672 -6.923 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -7.149 -7.661 -7.574 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -6.561 -6.366 -5.474 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -7.356 -8.891 -6.689 1.00 0.00 C ATOM 0 H ILE A 67 -7.509 -5.979 -9.153 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.966 -4.580 -7.021 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.199 -7.147 -6.904 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.107 -7.172 -7.753 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.762 -7.969 -8.545 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.630 -7.297 -4.912 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.801 -5.727 -5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.524 -5.856 -5.451 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.049 -9.577 -7.176 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.400 -9.391 -6.532 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.766 -8.583 -5.727 1.00 0.00 H new ATOM 1050 N PRO A 68 -3.661 -5.139 -8.013 1.00 0.00 N ATOM 1051 CA PRO A 68 -3.610 -4.986 -6.569 1.00 0.00 C ATOM 1052 C PRO A 68 -4.114 -3.605 -6.146 1.00 0.00 C ATOM 1053 O PRO A 68 -3.983 -2.636 -6.893 1.00 0.00 O ATOM 1054 CB PRO A 68 -2.156 -5.227 -6.198 1.00 0.00 C ATOM 1055 CG PRO A 68 -1.363 -5.046 -7.483 1.00 0.00 C ATOM 1056 CD PRO A 68 -2.346 -5.053 -8.642 1.00 0.00 C ATOM 0 HA PRO A 68 -4.261 -5.688 -6.049 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.826 -4.524 -5.433 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.017 -6.229 -5.791 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.807 -4.109 -7.460 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.633 -5.847 -7.597 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.254 -4.150 -9.245 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.169 -5.899 -9.306 1.00 0.00 H new ATOM 1064 N VAL A 69 -4.679 -3.557 -4.948 1.00 0.00 N ATOM 1065 CA VAL A 69 -5.203 -2.310 -4.417 1.00 0.00 C ATOM 1066 C VAL A 69 -4.298 -1.825 -3.282 1.00 0.00 C ATOM 1067 O VAL A 69 -3.681 -2.630 -2.588 1.00 0.00 O ATOM 1068 CB VAL A 69 -6.658 -2.497 -3.983 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -7.167 -1.266 -3.230 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -7.552 -2.814 -5.183 1.00 0.00 C ATOM 0 H VAL A 69 -4.785 -4.362 -4.330 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.204 -1.537 -5.186 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.698 -3.347 -3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.204 -1.424 -2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.555 -1.104 -2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.105 -0.392 -3.878 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.581 -2.942 -4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.504 -1.994 -5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.209 -3.732 -5.660 1.00 0.00 H new ATOM 1080 N PHE A 70 -4.249 -0.509 -3.130 1.00 0.00 N ATOM 1081 CA PHE A 70 -3.430 0.093 -2.091 1.00 0.00 C ATOM 1082 C PHE A 70 -4.177 1.234 -1.398 1.00 0.00 C ATOM 1083 O PHE A 70 -4.525 2.229 -2.032 1.00 0.00 O ATOM 1084 CB PHE A 70 -2.183 0.657 -2.776 1.00 0.00 C ATOM 1085 CG PHE A 70 -1.297 -0.406 -3.429 1.00 0.00 C ATOM 1086 CD1 PHE A 70 -1.531 -0.791 -4.712 1.00 0.00 C ATOM 1087 CD2 PHE A 70 -0.276 -0.965 -2.726 1.00 0.00 C ATOM 1088 CE1 PHE A 70 -0.708 -1.778 -5.317 1.00 0.00 C ATOM 1089 CE2 PHE A 70 0.546 -1.951 -3.331 1.00 0.00 C ATOM 1090 CZ PHE A 70 0.313 -2.337 -4.615 1.00 0.00 C ATOM 0 H PHE A 70 -4.762 0.156 -3.708 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.178 -0.652 -1.336 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.492 1.375 -3.536 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.594 1.205 -2.041 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.342 -0.347 -5.270 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.091 -0.659 -1.707 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.894 -2.085 -6.336 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.357 -2.395 -2.772 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.939 -3.087 -5.076 1.00 0.00 H new ATOM 1100 N HIS A 71 -4.401 1.052 -0.104 1.00 0.00 N ATOM 1101 CA HIS A 71 -5.100 2.054 0.682 1.00 0.00 C ATOM 1102 C HIS A 71 -4.122 2.718 1.653 1.00 0.00 C ATOM 1103 O HIS A 71 -3.533 2.049 2.501 1.00 0.00 O ATOM 1104 CB HIS A 71 -6.312 1.442 1.387 1.00 0.00 C ATOM 1105 CG HIS A 71 -7.398 0.974 0.448 1.00 0.00 C ATOM 1106 ND1 HIS A 71 -8.663 0.617 0.882 1.00 0.00 N ATOM 1107 CD2 HIS A 71 -7.395 0.810 -0.906 1.00 0.00 C ATOM 1108 CE1 HIS A 71 -9.380 0.255 -0.171 1.00 0.00 C ATOM 1109 NE2 HIS A 71 -8.592 0.375 -1.278 1.00 0.00 N ATOM 0 H HIS A 71 -4.111 0.226 0.419 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.489 2.831 0.025 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.980 0.598 1.991 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.731 2.179 2.072 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -8.988 0.630 1.849 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.560 1.002 -1.564 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.408 -0.077 -0.156 1.00 0.00 H new ATOM 1117 N LEU A 72 -3.979 4.026 1.497 1.00 0.00 N ATOM 1118 CA LEU A 72 -3.083 4.788 2.349 1.00 0.00 C ATOM 1119 C LEU A 72 -3.905 5.589 3.360 1.00 0.00 C ATOM 1120 O LEU A 72 -4.702 6.444 2.979 1.00 0.00 O ATOM 1121 CB LEU A 72 -2.141 5.648 1.503 1.00 0.00 C ATOM 1122 CG LEU A 72 -0.662 5.602 1.889 1.00 0.00 C ATOM 1123 CD1 LEU A 72 0.092 6.806 1.320 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -0.494 5.484 3.405 1.00 0.00 C ATOM 0 H LEU A 72 -4.469 4.577 0.793 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.440 4.118 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.234 5.337 0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.478 6.683 1.558 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.222 4.709 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.141 6.748 1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.015 6.803 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.342 7.726 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.567 5.453 3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.955 6.344 3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.974 4.570 3.754 1.00 0.00 H new ATOM 1136 N ASN A 73 -3.683 5.282 4.630 1.00 0.00 N ATOM 1137 CA ASN A 73 -4.394 5.962 5.699 1.00 0.00 C ATOM 1138 C ASN A 73 -5.892 5.680 5.571 1.00 0.00 C ATOM 1139 O ASN A 73 -6.700 6.606 5.514 1.00 0.00 O ATOM 1140 CB ASN A 73 -4.191 7.477 5.620 1.00 0.00 C ATOM 1141 CG ASN A 73 -2.968 7.909 6.432 1.00 0.00 C ATOM 1142 OD1 ASN A 73 -3.055 8.245 7.602 1.00 0.00 O ATOM 1143 ND2 ASN A 73 -1.827 7.881 5.749 1.00 0.00 N ATOM 0 H ASN A 73 -3.021 4.572 4.942 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.005 5.594 6.648 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -4.066 7.777 4.580 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.079 7.987 5.994 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.954 8.151 6.203 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.825 7.589 4.772 1.00 0.00 H new ATOM 1150 N GLY A 74 -6.218 4.396 5.528 1.00 0.00 N ATOM 1151 CA GLY A 74 -7.605 3.980 5.407 1.00 0.00 C ATOM 1152 C GLY A 74 -8.302 4.720 4.264 1.00 0.00 C ATOM 1153 O GLY A 74 -9.452 5.136 4.399 1.00 0.00 O ATOM 0 H GLY A 74 -5.546 3.631 5.575 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.652 2.905 5.231 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.129 4.173 6.343 1.00 0.00 H new ATOM 1157 N GLN A 75 -7.577 4.863 3.165 1.00 0.00 N ATOM 1158 CA GLN A 75 -8.111 5.547 1.999 1.00 0.00 C ATOM 1159 C GLN A 75 -7.385 5.086 0.734 1.00 0.00 C ATOM 1160 O GLN A 75 -6.168 5.230 0.625 1.00 0.00 O ATOM 1161 CB GLN A 75 -8.017 7.065 2.163 1.00 0.00 C ATOM 1162 CG GLN A 75 -8.914 7.782 1.152 1.00 0.00 C ATOM 1163 CD GLN A 75 -10.383 7.712 1.575 1.00 0.00 C ATOM 1164 OE1 GLN A 75 -10.749 7.047 2.531 1.00 0.00 O ATOM 1165 NE2 GLN A 75 -11.201 8.432 0.813 1.00 0.00 N ATOM 0 H GLN A 75 -6.624 4.517 3.057 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.166 5.290 1.903 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -8.309 7.344 3.176 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.984 7.386 2.029 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.607 8.824 1.063 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -8.793 7.329 0.168 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.829 8.966 0.028 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.201 8.450 1.014 1.00 0.00 H new ATOM 1174 N PHE A 76 -8.161 4.540 -0.190 1.00 0.00 N ATOM 1175 CA PHE A 76 -7.607 4.057 -1.444 1.00 0.00 C ATOM 1176 C PHE A 76 -6.582 5.043 -2.006 1.00 0.00 C ATOM 1177 O PHE A 76 -6.911 6.195 -2.284 1.00 0.00 O ATOM 1178 CB PHE A 76 -8.771 3.932 -2.429 1.00 0.00 C ATOM 1179 CG PHE A 76 -8.427 4.363 -3.856 1.00 0.00 C ATOM 1180 CD1 PHE A 76 -7.635 3.576 -4.632 1.00 0.00 C ATOM 1181 CD2 PHE A 76 -8.914 5.533 -4.349 1.00 0.00 C ATOM 1182 CE1 PHE A 76 -7.315 3.976 -5.956 1.00 0.00 C ATOM 1183 CE2 PHE A 76 -8.595 5.934 -5.673 1.00 0.00 C ATOM 1184 CZ PHE A 76 -7.802 5.146 -6.449 1.00 0.00 C ATOM 0 H PHE A 76 -9.170 4.421 -0.096 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.104 3.103 -1.286 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.110 2.896 -2.445 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.605 4.535 -2.069 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.249 2.646 -4.241 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.544 6.158 -3.733 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.685 3.351 -6.572 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.981 6.864 -6.064 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.559 5.450 -7.457 1.00 0.00 H new ATOM 1194 N LEU A 77 -5.359 4.555 -2.157 1.00 0.00 N ATOM 1195 CA LEU A 77 -4.284 5.380 -2.682 1.00 0.00 C ATOM 1196 C LEU A 77 -4.130 5.116 -4.181 1.00 0.00 C ATOM 1197 O LEU A 77 -3.990 6.050 -4.968 1.00 0.00 O ATOM 1198 CB LEU A 77 -2.999 5.156 -1.883 1.00 0.00 C ATOM 1199 CG LEU A 77 -1.754 4.803 -2.699 1.00 0.00 C ATOM 1200 CD1 LEU A 77 -1.140 6.054 -3.331 1.00 0.00 C ATOM 1201 CD2 LEU A 77 -0.740 4.034 -1.850 1.00 0.00 C ATOM 0 H LEU A 77 -5.089 3.599 -1.925 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.524 6.437 -2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.789 6.059 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.177 4.356 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.056 4.145 -3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.257 5.775 -3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.869 6.523 -3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.856 6.756 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.135 3.796 -2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.438 4.646 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.193 3.111 -1.489 1.00 0.00 H new ATOM 1213 N MET A 78 -4.160 3.838 -4.531 1.00 0.00 N ATOM 1214 CA MET A 78 -4.026 3.440 -5.922 1.00 0.00 C ATOM 1215 C MET A 78 -4.232 1.932 -6.083 1.00 0.00 C ATOM 1216 O MET A 78 -3.925 1.160 -5.176 1.00 0.00 O ATOM 1217 CB MET A 78 -2.634 3.822 -6.430 1.00 0.00 C ATOM 1218 CG MET A 78 -1.570 2.866 -5.886 1.00 0.00 C ATOM 1219 SD MET A 78 0.055 3.568 -6.114 1.00 0.00 S ATOM 1220 CE MET A 78 0.962 2.659 -4.873 1.00 0.00 C ATOM 0 H MET A 78 -4.275 3.065 -3.875 1.00 0.00 H new ATOM 0 HA MET A 78 -4.790 3.956 -6.504 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.623 3.802 -7.520 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.400 4.843 -6.127 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.748 2.675 -4.828 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.636 1.906 -6.398 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.031 2.742 -5.070 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.742 3.070 -3.888 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.668 1.610 -4.903 1.00 0.00 H new ATOM 1230 N MET A 79 -4.750 1.559 -7.243 1.00 0.00 N ATOM 1231 CA MET A 79 -5.002 0.158 -7.535 1.00 0.00 C ATOM 1232 C MET A 79 -4.717 -0.156 -9.005 1.00 0.00 C ATOM 1233 O MET A 79 -4.716 0.742 -9.846 1.00 0.00 O ATOM 1234 CB MET A 79 -6.459 -0.178 -7.213 1.00 0.00 C ATOM 1235 CG MET A 79 -7.413 0.773 -7.940 1.00 0.00 C ATOM 1236 SD MET A 79 -9.104 0.283 -7.645 1.00 0.00 S ATOM 1237 CE MET A 79 -9.837 1.879 -7.324 1.00 0.00 C ATOM 0 H MET A 79 -5.002 2.203 -7.993 1.00 0.00 H new ATOM 0 HA MET A 79 -4.337 -0.447 -6.919 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.672 -1.206 -7.505 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.623 -0.111 -6.137 1.00 0.00 H new ATOM 0 HG2 MET A 79 -7.256 1.794 -7.593 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.204 0.764 -9.010 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.919 1.811 -7.435 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.595 2.193 -6.309 1.00 0.00 H new ATOM 0 HE3 MET A 79 -9.445 2.609 -8.032 1.00 0.00 H new ATOM 1247 N HIS A 80 -4.483 -1.433 -9.270 1.00 0.00 N ATOM 1248 CA HIS A 80 -4.198 -1.876 -10.624 1.00 0.00 C ATOM 1249 C HIS A 80 -2.696 -1.774 -10.892 1.00 0.00 C ATOM 1250 O HIS A 80 -2.253 -1.923 -12.030 1.00 0.00 O ATOM 1251 CB HIS A 80 -5.036 -1.096 -11.639 1.00 0.00 C ATOM 1252 CG HIS A 80 -6.449 -0.819 -11.185 1.00 0.00 C ATOM 1253 ND1 HIS A 80 -7.238 0.169 -11.749 1.00 0.00 N ATOM 1254 CD2 HIS A 80 -7.207 -1.411 -10.218 1.00 0.00 C ATOM 1255 CE1 HIS A 80 -8.415 0.163 -11.140 1.00 0.00 C ATOM 1256 NE2 HIS A 80 -8.393 -0.816 -10.191 1.00 0.00 N ATOM 0 H HIS A 80 -4.485 -2.175 -8.570 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.481 -2.923 -10.735 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -4.541 -0.148 -11.852 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -5.069 -1.655 -12.574 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -6.961 0.795 -12.505 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.895 -2.226 -9.582 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.246 0.818 -11.357 1.00 0.00 H new ATOM 1264 N ARG A 81 -1.953 -1.521 -9.825 1.00 0.00 N ATOM 1265 CA ARG A 81 -0.509 -1.398 -9.930 1.00 0.00 C ATOM 1266 C ARG A 81 0.050 -0.645 -8.721 1.00 0.00 C ATOM 1267 O ARG A 81 -0.664 -0.413 -7.746 1.00 0.00 O ATOM 1268 CB ARG A 81 -0.111 -0.659 -11.210 1.00 0.00 C ATOM 1269 CG ARG A 81 0.488 -1.623 -12.236 1.00 0.00 C ATOM 1270 CD ARG A 81 0.626 -0.951 -13.604 1.00 0.00 C ATOM 1271 NE ARG A 81 1.739 -1.568 -14.360 1.00 0.00 N ATOM 1272 CZ ARG A 81 1.718 -2.818 -14.842 1.00 0.00 C ATOM 1273 NH1 ARG A 81 0.642 -3.592 -14.649 1.00 0.00 N ATOM 1274 NH2 ARG A 81 2.774 -3.293 -15.517 1.00 0.00 N ATOM 0 H ARG A 81 -2.324 -1.398 -8.883 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.092 -2.405 -9.960 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.985 -0.166 -11.636 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.612 0.122 -10.974 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.465 -1.963 -11.894 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.144 -2.506 -12.323 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.304 -1.051 -14.163 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.809 0.116 -13.478 1.00 0.00 H new ATOM 0 HE ARG A 81 2.574 -1.006 -14.524 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.161 -3.230 -14.135 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.626 -4.544 -15.016 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.593 -2.703 -15.663 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.759 -4.245 -15.884 1.00 0.00 H new ATOM 1288 N VAL A 82 1.320 -0.284 -8.823 1.00 0.00 N ATOM 1289 CA VAL A 82 1.982 0.437 -7.750 1.00 0.00 C ATOM 1290 C VAL A 82 2.681 1.671 -8.326 1.00 0.00 C ATOM 1291 O VAL A 82 3.889 1.654 -8.555 1.00 0.00 O ATOM 1292 CB VAL A 82 2.937 -0.496 -7.003 1.00 0.00 C ATOM 1293 CG1 VAL A 82 3.454 0.160 -5.721 1.00 0.00 C ATOM 1294 CG2 VAL A 82 2.267 -1.838 -6.700 1.00 0.00 C ATOM 0 H VAL A 82 1.909 -0.478 -9.633 1.00 0.00 H new ATOM 0 HA VAL A 82 1.253 0.787 -7.019 1.00 0.00 H new ATOM 0 HB VAL A 82 3.793 -0.687 -7.650 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.131 -0.524 -5.209 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.987 1.078 -5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.613 0.395 -5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.967 -2.483 -6.169 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.385 -1.673 -6.081 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.971 -2.316 -7.634 1.00 0.00 H new ATOM 1304 N ASN A 83 1.891 2.712 -8.542 1.00 0.00 N ATOM 1305 CA ASN A 83 2.418 3.951 -9.087 1.00 0.00 C ATOM 1306 C ASN A 83 3.217 4.680 -8.004 1.00 0.00 C ATOM 1307 O ASN A 83 2.729 5.637 -7.406 1.00 0.00 O ATOM 1308 CB ASN A 83 1.289 4.877 -9.544 1.00 0.00 C ATOM 1309 CG ASN A 83 0.633 4.352 -10.823 1.00 0.00 C ATOM 1310 OD1 ASN A 83 -0.430 3.754 -10.806 1.00 0.00 O ATOM 1311 ND2 ASN A 83 1.325 4.607 -11.930 1.00 0.00 N ATOM 0 H ASN A 83 0.889 2.723 -8.349 1.00 0.00 H new ATOM 0 HA ASN A 83 3.048 3.702 -9.941 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.541 4.961 -8.756 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.683 5.878 -9.718 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.972 4.297 -12.835 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.209 5.113 -11.874 1.00 0.00 H new ATOM 1318 N THR A 84 4.432 4.198 -7.785 1.00 0.00 N ATOM 1319 CA THR A 84 5.303 4.791 -6.785 1.00 0.00 C ATOM 1320 C THR A 84 5.145 6.312 -6.775 1.00 0.00 C ATOM 1321 O THR A 84 4.927 6.910 -5.722 1.00 0.00 O ATOM 1322 CB THR A 84 6.734 4.331 -7.072 1.00 0.00 C ATOM 1323 OG1 THR A 84 7.009 4.843 -8.373 1.00 0.00 O ATOM 1324 CG2 THR A 84 6.839 2.813 -7.239 1.00 0.00 C ATOM 0 H THR A 84 4.833 3.404 -8.283 1.00 0.00 H new ATOM 0 HA THR A 84 5.035 4.461 -5.781 1.00 0.00 H new ATOM 0 HB THR A 84 7.388 4.653 -6.262 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.919 4.592 -8.638 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.875 2.540 -7.441 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.506 2.322 -6.324 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.211 2.494 -8.071 1.00 0.00 H new ATOM 1332 N SER A 85 5.260 6.895 -7.959 1.00 0.00 N ATOM 1333 CA SER A 85 5.133 8.336 -8.099 1.00 0.00 C ATOM 1334 C SER A 85 4.019 8.854 -7.187 1.00 0.00 C ATOM 1335 O SER A 85 4.206 9.836 -6.469 1.00 0.00 O ATOM 1336 CB SER A 85 4.852 8.725 -9.552 1.00 0.00 C ATOM 1337 OG SER A 85 5.630 9.846 -9.965 1.00 0.00 O ATOM 0 H SER A 85 5.440 6.396 -8.830 1.00 0.00 H new ATOM 0 HA SER A 85 6.078 8.793 -7.804 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.065 7.876 -10.202 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.793 8.957 -9.667 1.00 0.00 H new ATOM 0 HG SER A 85 5.423 10.062 -10.898 1.00 0.00 H new ATOM 1343 N LYS A 86 2.885 8.171 -7.244 1.00 0.00 N ATOM 1344 CA LYS A 86 1.742 8.551 -6.432 1.00 0.00 C ATOM 1345 C LYS A 86 2.058 8.285 -4.958 1.00 0.00 C ATOM 1346 O LYS A 86 2.037 9.203 -4.140 1.00 0.00 O ATOM 1347 CB LYS A 86 0.477 7.846 -6.926 1.00 0.00 C ATOM 1348 CG LYS A 86 -0.699 8.822 -7.004 1.00 0.00 C ATOM 1349 CD LYS A 86 -1.519 8.592 -8.275 1.00 0.00 C ATOM 1350 CE LYS A 86 -2.491 7.424 -8.096 1.00 0.00 C ATOM 1351 NZ LYS A 86 -2.289 6.414 -9.159 1.00 0.00 N ATOM 0 H LYS A 86 2.734 7.357 -7.840 1.00 0.00 H new ATOM 0 HA LYS A 86 1.544 9.618 -6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.659 7.411 -7.909 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.228 7.024 -6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.337 8.699 -6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.328 9.847 -6.987 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.074 9.497 -8.523 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.851 8.389 -9.112 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.342 6.966 -7.118 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.517 7.790 -8.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.957 5.628 -9.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.453 6.851 -10.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.315 6.052 -9.114 1.00 0.00 H new ATOM 1365 N LEU A 87 2.344 7.025 -4.665 1.00 0.00 N ATOM 1366 CA LEU A 87 2.664 6.628 -3.305 1.00 0.00 C ATOM 1367 C LEU A 87 3.585 7.675 -2.675 1.00 0.00 C ATOM 1368 O LEU A 87 3.195 8.364 -1.734 1.00 0.00 O ATOM 1369 CB LEU A 87 3.239 5.210 -3.282 1.00 0.00 C ATOM 1370 CG LEU A 87 4.060 4.839 -2.046 1.00 0.00 C ATOM 1371 CD1 LEU A 87 3.208 4.918 -0.777 1.00 0.00 C ATOM 1372 CD2 LEU A 87 4.713 3.465 -2.213 1.00 0.00 C ATOM 0 H LEU A 87 2.361 6.266 -5.346 1.00 0.00 H new ATOM 0 HA LEU A 87 1.760 6.591 -2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.414 4.503 -3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.867 5.080 -4.163 1.00 0.00 H new ATOM 0 HG LEU A 87 4.864 5.567 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.816 4.649 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.832 5.934 -0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.369 4.227 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.291 3.226 -1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.940 2.710 -2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.374 3.479 -3.080 1.00 0.00 H new ATOM 1384 N GLU A 88 4.789 7.761 -3.220 1.00 0.00 N ATOM 1385 CA GLU A 88 5.769 8.713 -2.723 1.00 0.00 C ATOM 1386 C GLU A 88 5.121 10.084 -2.521 1.00 0.00 C ATOM 1387 O GLU A 88 5.224 10.670 -1.444 1.00 0.00 O ATOM 1388 CB GLU A 88 6.969 8.807 -3.667 1.00 0.00 C ATOM 1389 CG GLU A 88 7.428 7.417 -4.112 1.00 0.00 C ATOM 1390 CD GLU A 88 8.955 7.338 -4.174 1.00 0.00 C ATOM 1391 OE1 GLU A 88 9.582 7.645 -3.137 1.00 0.00 O ATOM 1392 OE2 GLU A 88 9.460 6.972 -5.257 1.00 0.00 O ATOM 0 H GLU A 88 5.109 7.188 -4.001 1.00 0.00 H new ATOM 0 HA GLU A 88 6.134 8.360 -1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.703 9.403 -4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.790 9.322 -3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.049 6.666 -3.419 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.008 7.188 -5.091 1.00 0.00 H new ATOM 1399 N LYS A 89 4.468 10.556 -3.573 1.00 0.00 N ATOM 1400 CA LYS A 89 3.804 11.847 -3.523 1.00 0.00 C ATOM 1401 C LYS A 89 2.920 11.914 -2.277 1.00 0.00 C ATOM 1402 O LYS A 89 2.834 12.955 -1.627 1.00 0.00 O ATOM 1403 CB LYS A 89 3.048 12.111 -4.828 1.00 0.00 C ATOM 1404 CG LYS A 89 2.680 13.590 -4.958 1.00 0.00 C ATOM 1405 CD LYS A 89 1.301 13.867 -4.358 1.00 0.00 C ATOM 1406 CE LYS A 89 0.854 15.302 -4.647 1.00 0.00 C ATOM 1407 NZ LYS A 89 -0.622 15.381 -4.715 1.00 0.00 N ATOM 0 H LYS A 89 4.385 10.068 -4.465 1.00 0.00 H new ATOM 0 HA LYS A 89 4.537 12.649 -3.437 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.663 11.810 -5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.144 11.503 -4.858 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.429 14.200 -4.454 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.688 13.879 -6.009 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.574 13.166 -4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.329 13.701 -3.281 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.224 15.968 -3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.286 15.641 -5.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.908 16.361 -4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.968 14.760 -5.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.028 15.077 -3.807 1.00 0.00 H new ATOM 1421 N GLN A 90 2.284 10.790 -1.979 1.00 0.00 N ATOM 1422 CA GLN A 90 1.410 10.708 -0.822 1.00 0.00 C ATOM 1423 C GLN A 90 2.235 10.689 0.466 1.00 0.00 C ATOM 1424 O GLN A 90 2.035 11.523 1.348 1.00 0.00 O ATOM 1425 CB GLN A 90 0.500 9.481 -0.908 1.00 0.00 C ATOM 1426 CG GLN A 90 -0.511 9.627 -2.047 1.00 0.00 C ATOM 1427 CD GLN A 90 -1.371 10.879 -1.859 1.00 0.00 C ATOM 1428 OE1 GLN A 90 -2.264 10.931 -1.029 1.00 0.00 O ATOM 1429 NE2 GLN A 90 -1.053 11.881 -2.673 1.00 0.00 N ATOM 0 H GLN A 90 2.357 9.928 -2.520 1.00 0.00 H new ATOM 0 HA GLN A 90 0.773 11.592 -0.809 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.103 8.587 -1.065 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.028 9.348 0.037 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.015 9.682 -3.000 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.150 8.745 -2.086 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.294 11.771 -3.345 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.568 12.760 -2.625 1.00 0.00 H new ATOM 1438 N LEU A 91 3.145 9.728 0.535 1.00 0.00 N ATOM 1439 CA LEU A 91 4.001 9.590 1.700 1.00 0.00 C ATOM 1440 C LEU A 91 4.424 10.978 2.185 1.00 0.00 C ATOM 1441 O LEU A 91 4.125 11.363 3.314 1.00 0.00 O ATOM 1442 CB LEU A 91 5.178 8.661 1.394 1.00 0.00 C ATOM 1443 CG LEU A 91 4.865 7.164 1.381 1.00 0.00 C ATOM 1444 CD1 LEU A 91 5.887 6.396 0.541 1.00 0.00 C ATOM 1445 CD2 LEU A 91 4.763 6.613 2.805 1.00 0.00 C ATOM 0 H LEU A 91 3.308 9.037 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 91 3.456 9.118 2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.588 8.935 0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.960 8.842 2.132 1.00 0.00 H new ATOM 0 HG LEU A 91 3.892 7.023 0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.640 5.334 0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.867 6.765 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.883 6.540 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.540 5.547 2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.709 6.768 3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.967 7.132 3.340 1.00 0.00 H new