USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 699 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 Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -1.04 K(o=-1,f=0) USER MOD Single : A 22 HIS : no HE2:sc= -9.25! C(o=-9.3!,f=-10!) USER MOD Single : A 26 MET CE :methyl -163:sc= -0.123 (180deg=-0.6) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 158:sc= 1.09 (180deg=0.638) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -81:sc= 1.24 USER MOD Single : A 37 SER OG : rot -153:sc= 0.947 USER MOD Single : A 40 CYS SG : rot 51:sc= 1.26 USER MOD Single : A 45 LYS NZ :NH3+ 162:sc= -0.0346 (180deg=-0.284) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0.573 K(o=0.57,f=-1.4!) USER MOD Single : B 12 LYS NZ :NH3+ 162:sc= -1.27 (180deg=-1.5) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= 0.819 K(o=0.82,f=-1.6!) USER MOD Single : B 22 HIS : no HE2:sc= -5.68! C(o=-5.7!,f=-6.5!) USER MOD Single : B 26 MET CE :methyl -144:sc= -0.131 (180deg=-0.536) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 155:sc= -0.0715 (180deg=-0.557) USER MOD Single : B 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 35 THR OG1 : rot -81:sc= 1.57 USER MOD Single : B 37 SER OG : rot -133:sc= 0.201! USER MOD Single : B 40 CYS SG : rot 180:sc= -6.12! USER MOD Single : B 45 LYS NZ :NH3+ 168:sc= -0.0503 (180deg=-0.22) USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 50 ASN : amide:sc= 2.22 K(o=2.2,f=-0.12) USER MOD Single : B 51 HIS : no HD1:sc= -1.56! C(o=-1.6!,f=-9.4!) USER MOD ----------------------------------------------------------------- ATOM 150 N ILE A 11 -8.506 8.413 -0.071 1.00 0.00 N ATOM 151 CA ILE A 11 -8.115 9.305 1.014 1.00 0.00 C ATOM 152 C ILE A 11 -6.594 9.307 1.151 1.00 0.00 C ATOM 153 O ILE A 11 -5.932 8.357 0.725 1.00 0.00 O ATOM 154 CB ILE A 11 -8.761 8.867 2.357 1.00 0.00 C ATOM 155 CG1 ILE A 11 -10.255 8.588 2.178 1.00 0.00 C ATOM 156 CG2 ILE A 11 -8.558 9.925 3.438 1.00 0.00 C ATOM 157 CD1 ILE A 11 -11.054 9.809 1.775 1.00 0.00 C ATOM 0 HA ILE A 11 -8.466 10.309 0.777 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.266 7.949 2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.384 7.814 1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.657 8.192 3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.021 9.590 4.366 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.491 10.080 3.600 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.017 10.862 3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.104 9.537 1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.956 10.577 2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.678 10.193 0.826 1.00 0.00 H new ATOM 169 N LYS A 12 -6.049 10.346 1.778 1.00 0.00 N ATOM 170 CA LYS A 12 -4.607 10.531 1.865 1.00 0.00 C ATOM 171 C LYS A 12 -4.098 10.050 3.211 1.00 0.00 C ATOM 172 O LYS A 12 -4.637 10.411 4.256 1.00 0.00 O ATOM 173 CB LYS A 12 -4.254 12.013 1.691 1.00 0.00 C ATOM 174 CG LYS A 12 -2.765 12.313 1.774 1.00 0.00 C ATOM 175 CD LYS A 12 -2.024 11.794 0.557 1.00 0.00 C ATOM 176 CE LYS A 12 -0.541 12.117 0.633 1.00 0.00 C ATOM 177 NZ LYS A 12 0.130 11.972 -0.684 1.00 0.00 N ATOM 0 H LYS A 12 -6.592 11.078 2.237 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.136 9.951 1.072 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.629 12.353 0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.773 12.591 2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.614 13.389 1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.351 11.859 2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.160 10.715 0.479 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.448 12.235 -0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.411 13.137 0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.063 11.457 1.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.140 12.202 -0.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.029 10.993 -1.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.308 12.620 -1.370 1.00 0.00 H new ATOM 191 N LEU A 13 -3.071 9.224 3.170 1.00 0.00 N ATOM 192 CA LEU A 13 -2.491 8.662 4.370 1.00 0.00 C ATOM 193 C LEU A 13 -0.980 8.813 4.349 1.00 0.00 C ATOM 194 O LEU A 13 -0.326 8.459 3.368 1.00 0.00 O ATOM 195 CB LEU A 13 -2.877 7.184 4.517 1.00 0.00 C ATOM 196 CG LEU A 13 -2.624 6.296 3.292 1.00 0.00 C ATOM 197 CD1 LEU A 13 -2.491 4.844 3.718 1.00 0.00 C ATOM 198 CD2 LEU A 13 -3.758 6.437 2.281 1.00 0.00 C ATOM 0 H LEU A 13 -2.618 8.925 2.306 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.884 9.207 5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.328 6.768 5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.936 7.129 4.768 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.695 6.618 2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.312 4.222 2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.656 4.743 4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.410 4.523 4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.559 5.799 1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.698 6.138 2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.828 7.475 1.955 1.00 0.00 H new ATOM 210 N GLY A 14 -0.439 9.366 5.420 1.00 0.00 N ATOM 211 CA GLY A 14 0.990 9.545 5.518 1.00 0.00 C ATOM 212 C GLY A 14 1.623 8.533 6.447 1.00 0.00 C ATOM 213 O GLY A 14 1.262 8.449 7.620 1.00 0.00 O ATOM 0 H GLY A 14 -0.968 9.696 6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.436 9.457 4.527 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.206 10.552 5.876 1.00 0.00 H new ATOM 217 N VAL A 15 2.562 7.764 5.927 1.00 0.00 N ATOM 218 CA VAL A 15 3.242 6.750 6.718 1.00 0.00 C ATOM 219 C VAL A 15 4.681 7.190 7.001 1.00 0.00 C ATOM 220 O VAL A 15 5.292 7.883 6.189 1.00 0.00 O ATOM 221 CB VAL A 15 3.222 5.371 6.000 1.00 0.00 C ATOM 222 CG1 VAL A 15 3.891 4.301 6.846 1.00 0.00 C ATOM 223 CG2 VAL A 15 1.793 4.967 5.661 1.00 0.00 C ATOM 0 H VAL A 15 2.873 7.821 4.957 1.00 0.00 H new ATOM 0 HA VAL A 15 2.712 6.638 7.664 1.00 0.00 H new ATOM 0 HB VAL A 15 3.787 5.467 5.073 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.861 3.348 6.318 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.928 4.580 7.033 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.364 4.206 7.796 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.798 4.000 5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.207 4.897 6.578 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.350 5.715 5.003 1.00 0.00 H new ATOM 233 N TYR A 16 5.199 6.834 8.172 1.00 0.00 N ATOM 234 CA TYR A 16 6.576 7.146 8.526 1.00 0.00 C ATOM 235 C TYR A 16 7.391 5.873 8.697 1.00 0.00 C ATOM 236 O TYR A 16 7.087 5.047 9.557 1.00 0.00 O ATOM 237 CB TYR A 16 6.636 7.979 9.807 1.00 0.00 C ATOM 238 CG TYR A 16 7.019 9.413 9.557 1.00 0.00 C ATOM 239 CD1 TYR A 16 8.240 9.717 8.977 1.00 0.00 C ATOM 240 CD2 TYR A 16 6.166 10.458 9.885 1.00 0.00 C ATOM 241 CE1 TYR A 16 8.606 11.019 8.729 1.00 0.00 C ATOM 242 CE2 TYR A 16 6.526 11.771 9.641 1.00 0.00 C ATOM 243 CZ TYR A 16 7.748 12.044 9.061 1.00 0.00 C ATOM 244 OH TYR A 16 8.111 13.347 8.798 1.00 0.00 O ATOM 0 H TYR A 16 4.683 6.328 8.892 1.00 0.00 H new ATOM 0 HA TYR A 16 7.004 7.730 7.711 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.664 7.949 10.300 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.355 7.531 10.492 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.916 8.917 8.715 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.209 10.243 10.337 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.562 11.237 8.276 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.856 12.576 9.902 1.00 0.00 H new ATOM 0 HH TYR A 16 7.397 13.951 9.091 1.00 0.00 H new ATOM 254 N ILE A 17 8.418 5.709 7.866 1.00 0.00 N ATOM 255 CA ILE A 17 9.257 4.513 7.917 1.00 0.00 C ATOM 256 C ILE A 17 10.729 4.877 7.713 1.00 0.00 C ATOM 257 O ILE A 17 11.035 5.952 7.192 1.00 0.00 O ATOM 258 CB ILE A 17 8.836 3.460 6.861 1.00 0.00 C ATOM 259 CG1 ILE A 17 9.208 3.897 5.445 1.00 0.00 C ATOM 260 CG2 ILE A 17 7.347 3.187 6.944 1.00 0.00 C ATOM 261 CD1 ILE A 17 8.831 2.878 4.390 1.00 0.00 C ATOM 0 H ILE A 17 8.689 6.386 7.152 1.00 0.00 H new ATOM 0 HA ILE A 17 9.121 4.075 8.906 1.00 0.00 H new ATOM 0 HB ILE A 17 9.381 2.543 7.084 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.714 4.842 5.221 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.282 4.080 5.398 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.071 2.445 6.195 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.101 2.809 7.936 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.797 4.110 6.761 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.122 3.248 3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.346 1.939 4.591 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.754 2.713 4.412 1.00 0.00 H new ATOM 273 N PRO A 18 11.661 3.982 8.099 1.00 0.00 N ATOM 274 CA PRO A 18 13.104 4.260 8.053 1.00 0.00 C ATOM 275 C PRO A 18 13.632 4.434 6.629 1.00 0.00 C ATOM 276 O PRO A 18 13.077 3.889 5.667 1.00 0.00 O ATOM 277 CB PRO A 18 13.728 3.018 8.696 1.00 0.00 C ATOM 278 CG PRO A 18 12.716 1.943 8.515 1.00 0.00 C ATOM 279 CD PRO A 18 11.381 2.622 8.599 1.00 0.00 C ATOM 0 HA PRO A 18 13.345 5.195 8.560 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.672 2.757 8.217 1.00 0.00 H new ATOM 0 HB3 PRO A 18 13.942 3.185 9.752 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.842 1.445 7.554 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.815 1.178 9.285 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.633 2.115 7.990 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.002 2.639 9.621 1.00 0.00 H new ATOM 287 N GLN A 19 14.721 5.192 6.506 1.00 0.00 N ATOM 288 CA GLN A 19 15.349 5.435 5.211 1.00 0.00 C ATOM 289 C GLN A 19 15.918 4.134 4.654 1.00 0.00 C ATOM 290 O GLN A 19 16.039 3.966 3.443 1.00 0.00 O ATOM 291 CB GLN A 19 16.455 6.491 5.338 1.00 0.00 C ATOM 292 CG GLN A 19 17.770 5.954 5.883 1.00 0.00 C ATOM 293 CD GLN A 19 18.845 5.867 4.812 1.00 0.00 C ATOM 294 OE1 GLN A 19 19.600 6.810 4.597 1.00 0.00 O ATOM 295 NE2 GLN A 19 18.919 4.738 4.124 1.00 0.00 N ATOM 0 H GLN A 19 15.186 5.649 7.290 1.00 0.00 H new ATOM 0 HA GLN A 19 14.593 5.812 4.522 1.00 0.00 H new ATOM 0 HB2 GLN A 19 16.634 6.933 4.358 1.00 0.00 H new ATOM 0 HB3 GLN A 19 16.104 7.292 5.989 1.00 0.00 H new ATOM 0 HG2 GLN A 19 18.116 6.599 6.691 1.00 0.00 H new ATOM 0 HG3 GLN A 19 17.606 4.965 6.312 1.00 0.00 H new ATOM 0 HE21 GLN A 19 18.276 3.973 4.328 1.00 0.00 H new ATOM 0 HE22 GLN A 19 19.619 4.633 3.390 1.00 0.00 H new ATOM 304 N GLU A 20 16.278 3.225 5.561 1.00 0.00 N ATOM 305 CA GLU A 20 16.737 1.891 5.189 1.00 0.00 C ATOM 306 C GLU A 20 15.722 1.208 4.286 1.00 0.00 C ATOM 307 O GLU A 20 16.081 0.602 3.273 1.00 0.00 O ATOM 308 CB GLU A 20 16.986 1.043 6.437 1.00 0.00 C ATOM 309 CG GLU A 20 18.170 1.520 7.259 1.00 0.00 C ATOM 310 CD GLU A 20 19.467 1.466 6.478 1.00 0.00 C ATOM 311 OE1 GLU A 20 19.657 2.302 5.572 1.00 0.00 O ATOM 312 OE2 GLU A 20 20.298 0.580 6.750 1.00 0.00 O ATOM 0 H GLU A 20 16.259 3.393 6.567 1.00 0.00 H new ATOM 0 HA GLU A 20 17.675 1.993 4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 20 16.092 1.054 7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.153 0.008 6.138 1.00 0.00 H new ATOM 0 HG2 GLU A 20 17.991 2.542 7.592 1.00 0.00 H new ATOM 0 HG3 GLU A 20 18.261 0.904 8.154 1.00 0.00 H new ATOM 319 N TRP A 21 14.450 1.389 4.606 1.00 0.00 N ATOM 320 CA TRP A 21 13.393 0.799 3.814 1.00 0.00 C ATOM 321 C TRP A 21 13.259 1.555 2.509 1.00 0.00 C ATOM 322 O TRP A 21 13.095 0.956 1.461 1.00 0.00 O ATOM 323 CB TRP A 21 12.069 0.863 4.560 1.00 0.00 C ATOM 324 CG TRP A 21 11.784 -0.307 5.452 1.00 0.00 C ATOM 325 CD1 TRP A 21 12.606 -1.355 5.764 1.00 0.00 C ATOM 326 CD2 TRP A 21 10.563 -0.537 6.140 1.00 0.00 C ATOM 327 NE1 TRP A 21 11.952 -2.223 6.611 1.00 0.00 N ATOM 328 CE2 TRP A 21 10.693 -1.738 6.857 1.00 0.00 C ATOM 329 CE3 TRP A 21 9.370 0.170 6.218 1.00 0.00 C ATOM 330 CZ2 TRP A 21 9.655 -2.246 7.639 1.00 0.00 C ATOM 331 CZ3 TRP A 21 8.349 -0.327 6.986 1.00 0.00 C ATOM 332 CH2 TRP A 21 8.492 -1.520 7.690 1.00 0.00 C ATOM 0 H TRP A 21 14.130 1.937 5.405 1.00 0.00 H new ATOM 0 HA TRP A 21 13.644 -0.244 3.621 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.053 1.771 5.162 1.00 0.00 H new ATOM 0 HB3 TRP A 21 11.263 0.949 3.831 1.00 0.00 H new ATOM 0 HD1 TRP A 21 13.615 -1.483 5.401 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.341 -3.085 6.993 1.00 0.00 H new ATOM 0 HE3 TRP A 21 9.248 1.099 5.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 9.763 -3.173 8.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.417 0.216 7.046 1.00 0.00 H new ATOM 0 HH2 TRP A 21 7.669 -1.882 8.289 1.00 0.00 H new ATOM 343 N HIS A 22 13.365 2.873 2.578 1.00 0.00 N ATOM 344 CA HIS A 22 13.279 3.702 1.380 1.00 0.00 C ATOM 345 C HIS A 22 14.312 3.281 0.342 1.00 0.00 C ATOM 346 O HIS A 22 13.994 3.150 -0.836 1.00 0.00 O ATOM 347 CB HIS A 22 13.458 5.182 1.724 1.00 0.00 C ATOM 348 CG HIS A 22 12.208 5.842 2.217 1.00 0.00 C ATOM 349 ND1 HIS A 22 11.508 6.767 1.475 1.00 0.00 N ATOM 350 CD2 HIS A 22 11.533 5.713 3.385 1.00 0.00 C ATOM 351 CE1 HIS A 22 10.458 7.181 2.160 1.00 0.00 C ATOM 352 NE2 HIS A 22 10.450 6.555 3.323 1.00 0.00 N ATOM 0 H HIS A 22 13.510 3.392 3.444 1.00 0.00 H new ATOM 0 HA HIS A 22 12.285 3.559 0.956 1.00 0.00 H new ATOM 0 HB2 HIS A 22 14.233 5.278 2.485 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.813 5.711 0.839 1.00 0.00 H new ATOM 0 HD1 HIS A 22 11.762 7.084 0.539 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.797 5.068 4.210 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.731 7.907 1.827 1.00 0.00 H new ATOM 361 N ASP A 23 15.541 3.053 0.788 1.00 0.00 N ATOM 362 CA ASP A 23 16.625 2.670 -0.114 1.00 0.00 C ATOM 363 C ASP A 23 16.310 1.355 -0.832 1.00 0.00 C ATOM 364 O ASP A 23 16.314 1.289 -2.067 1.00 0.00 O ATOM 365 CB ASP A 23 17.939 2.534 0.661 1.00 0.00 C ATOM 366 CG ASP A 23 19.150 2.429 -0.250 1.00 0.00 C ATOM 367 OD1 ASP A 23 19.350 1.368 -0.875 1.00 0.00 O ATOM 368 OD2 ASP A 23 19.920 3.410 -0.325 1.00 0.00 O ATOM 0 H ASP A 23 15.814 3.126 1.768 1.00 0.00 H new ATOM 0 HA ASP A 23 16.728 3.455 -0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 23 18.058 3.395 1.319 1.00 0.00 H new ATOM 0 HB3 ASP A 23 17.891 1.650 1.297 1.00 0.00 H new ATOM 373 N ARG A 24 15.986 0.322 -0.059 1.00 0.00 N ATOM 374 CA ARG A 24 15.798 -1.013 -0.626 1.00 0.00 C ATOM 375 C ARG A 24 14.473 -1.114 -1.371 1.00 0.00 C ATOM 376 O ARG A 24 14.401 -1.731 -2.434 1.00 0.00 O ATOM 377 CB ARG A 24 15.859 -2.092 0.465 1.00 0.00 C ATOM 378 CG ARG A 24 17.259 -2.415 0.985 1.00 0.00 C ATOM 379 CD ARG A 24 17.881 -1.241 1.724 1.00 0.00 C ATOM 380 NE ARG A 24 18.997 -1.642 2.585 1.00 0.00 N ATOM 381 CZ ARG A 24 19.561 -0.834 3.488 1.00 0.00 C ATOM 382 NH1 ARG A 24 19.179 0.434 3.572 1.00 0.00 N ATOM 383 NH2 ARG A 24 20.516 -1.288 4.296 1.00 0.00 N ATOM 0 H ARG A 24 15.849 0.380 0.950 1.00 0.00 H new ATOM 0 HA ARG A 24 16.611 -1.180 -1.332 1.00 0.00 H new ATOM 0 HB2 ARG A 24 15.242 -1.772 1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.414 -3.007 0.074 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.208 -3.276 1.652 1.00 0.00 H new ATOM 0 HG3 ARG A 24 17.899 -2.697 0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 24 18.232 -0.506 1.000 1.00 0.00 H new ATOM 0 HD3 ARG A 24 17.118 -0.752 2.330 1.00 0.00 H new ATOM 0 HE ARG A 24 19.363 -2.589 2.490 1.00 0.00 H new ATOM 0 HH11 ARG A 24 18.456 0.791 2.948 1.00 0.00 H new ATOM 0 HH12 ARG A 24 19.609 1.052 4.261 1.00 0.00 H new ATOM 0 HH21 ARG A 24 20.822 -2.259 4.229 1.00 0.00 H new ATOM 0 HH22 ARG A 24 20.942 -0.665 4.983 1.00 0.00 H new ATOM 397 N LEU A 25 13.432 -0.494 -0.829 1.00 0.00 N ATOM 398 CA LEU A 25 12.117 -0.535 -1.452 1.00 0.00 C ATOM 399 C LEU A 25 12.133 0.169 -2.794 1.00 0.00 C ATOM 400 O LEU A 25 11.590 -0.342 -3.757 1.00 0.00 O ATOM 401 CB LEU A 25 11.047 0.102 -0.562 1.00 0.00 C ATOM 402 CG LEU A 25 10.737 -0.648 0.736 1.00 0.00 C ATOM 403 CD1 LEU A 25 9.687 0.101 1.539 1.00 0.00 C ATOM 404 CD2 LEU A 25 10.265 -2.064 0.440 1.00 0.00 C ATOM 0 H LEU A 25 13.473 0.041 0.038 1.00 0.00 H new ATOM 0 HA LEU A 25 11.868 -1.587 -1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.365 1.114 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.126 0.191 -1.138 1.00 0.00 H new ATOM 0 HG LEU A 25 11.652 -0.708 1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.476 -0.443 2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.057 1.097 1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.773 0.188 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.050 -2.579 1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.362 -2.027 -0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.044 -2.602 -0.100 1.00 0.00 H new ATOM 416 N MET A 26 12.753 1.343 -2.854 1.00 0.00 N ATOM 417 CA MET A 26 12.795 2.112 -4.094 1.00 0.00 C ATOM 418 C MET A 26 13.640 1.424 -5.159 1.00 0.00 C ATOM 419 O MET A 26 13.431 1.631 -6.355 1.00 0.00 O ATOM 420 CB MET A 26 13.282 3.538 -3.841 1.00 0.00 C ATOM 421 CG MET A 26 12.294 4.371 -3.038 1.00 0.00 C ATOM 422 SD MET A 26 10.698 4.566 -3.862 1.00 0.00 S ATOM 423 CE MET A 26 11.187 5.385 -5.379 1.00 0.00 C ATOM 0 H MET A 26 13.230 1.781 -2.066 1.00 0.00 H new ATOM 0 HA MET A 26 11.775 2.166 -4.476 1.00 0.00 H new ATOM 0 HB2 MET A 26 14.234 3.502 -3.311 1.00 0.00 H new ATOM 0 HB3 MET A 26 13.468 4.027 -4.797 1.00 0.00 H new ATOM 0 HG2 MET A 26 12.139 3.903 -2.066 1.00 0.00 H new ATOM 0 HG3 MET A 26 12.724 5.356 -2.853 1.00 0.00 H new ATOM 0 HE1 MET A 26 10.312 5.838 -5.846 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.920 6.160 -5.154 1.00 0.00 H new ATOM 0 HE3 MET A 26 11.626 4.657 -6.060 1.00 0.00 H new ATOM 433 N GLU A 27 14.597 0.607 -4.734 1.00 0.00 N ATOM 434 CA GLU A 27 15.348 -0.209 -5.676 1.00 0.00 C ATOM 435 C GLU A 27 14.405 -1.218 -6.325 1.00 0.00 C ATOM 436 O GLU A 27 14.357 -1.360 -7.554 1.00 0.00 O ATOM 437 CB GLU A 27 16.495 -0.941 -4.973 1.00 0.00 C ATOM 438 CG GLU A 27 17.433 -1.666 -5.927 1.00 0.00 C ATOM 439 CD GLU A 27 18.346 -0.724 -6.689 1.00 0.00 C ATOM 440 OE1 GLU A 27 17.843 0.201 -7.362 1.00 0.00 O ATOM 441 OE2 GLU A 27 19.577 -0.908 -6.623 1.00 0.00 O ATOM 0 H GLU A 27 14.867 0.494 -3.757 1.00 0.00 H new ATOM 0 HA GLU A 27 15.779 0.439 -6.439 1.00 0.00 H new ATOM 0 HB2 GLU A 27 17.069 -0.222 -4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 27 16.078 -1.662 -4.270 1.00 0.00 H new ATOM 0 HG2 GLU A 27 18.040 -2.375 -5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 27 16.843 -2.246 -6.637 1.00 0.00 H new ATOM 448 N ILE A 28 13.629 -1.893 -5.485 1.00 0.00 N ATOM 449 CA ILE A 28 12.629 -2.847 -5.954 1.00 0.00 C ATOM 450 C ILE A 28 11.533 -2.116 -6.734 1.00 0.00 C ATOM 451 O ILE A 28 10.929 -2.660 -7.662 1.00 0.00 O ATOM 452 CB ILE A 28 12.010 -3.624 -4.767 1.00 0.00 C ATOM 453 CG1 ILE A 28 13.111 -4.355 -3.989 1.00 0.00 C ATOM 454 CG2 ILE A 28 10.959 -4.611 -5.255 1.00 0.00 C ATOM 455 CD1 ILE A 28 12.620 -5.069 -2.746 1.00 0.00 C ATOM 0 H ILE A 28 13.673 -1.797 -4.470 1.00 0.00 H new ATOM 0 HA ILE A 28 13.119 -3.563 -6.613 1.00 0.00 H new ATOM 0 HB ILE A 28 11.521 -2.911 -4.103 1.00 0.00 H new ATOM 0 HG12 ILE A 28 13.586 -5.081 -4.648 1.00 0.00 H new ATOM 0 HG13 ILE A 28 13.878 -3.635 -3.703 1.00 0.00 H new ATOM 0 HG21 ILE A 28 10.538 -5.145 -4.403 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.166 -4.072 -5.773 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.419 -5.324 -5.939 1.00 0.00 H new ATOM 0 HD11 ILE A 28 13.459 -5.560 -2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 28 12.172 -4.346 -2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 28 11.876 -5.815 -3.025 1.00 0.00 H new ATOM 467 N ALA A 29 11.310 -0.867 -6.353 1.00 0.00 N ATOM 468 CA ALA A 29 10.320 -0.012 -6.987 1.00 0.00 C ATOM 469 C ALA A 29 10.678 0.248 -8.442 1.00 0.00 C ATOM 470 O ALA A 29 9.801 0.435 -9.283 1.00 0.00 O ATOM 471 CB ALA A 29 10.190 1.293 -6.220 1.00 0.00 C ATOM 0 H ALA A 29 11.815 -0.416 -5.590 1.00 0.00 H new ATOM 0 HA ALA A 29 9.358 -0.524 -6.969 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.446 1.926 -6.703 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.879 1.084 -5.196 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.152 1.806 -6.209 1.00 0.00 H new ATOM 477 N LYS A 30 11.970 0.234 -8.741 1.00 0.00 N ATOM 478 CA LYS A 30 12.419 0.389 -10.114 1.00 0.00 C ATOM 479 C LYS A 30 12.215 -0.905 -10.876 1.00 0.00 C ATOM 480 O LYS A 30 11.830 -0.894 -12.043 1.00 0.00 O ATOM 481 CB LYS A 30 13.896 0.773 -10.178 1.00 0.00 C ATOM 482 CG LYS A 30 14.180 2.223 -9.836 1.00 0.00 C ATOM 483 CD LYS A 30 15.639 2.561 -10.088 1.00 0.00 C ATOM 484 CE LYS A 30 15.951 4.014 -9.780 1.00 0.00 C ATOM 485 NZ LYS A 30 17.379 4.336 -10.047 1.00 0.00 N ATOM 0 H LYS A 30 12.718 0.118 -8.057 1.00 0.00 H new ATOM 0 HA LYS A 30 11.830 1.188 -10.565 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.455 0.134 -9.494 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.269 0.569 -11.182 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.543 2.874 -10.434 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.934 2.410 -8.791 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.271 1.918 -9.475 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.885 2.351 -11.129 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.313 4.660 -10.383 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.719 4.223 -8.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.557 5.337 -9.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 17.987 3.737 -9.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 17.593 4.160 -11.049 1.00 0.00 H new ATOM 499 N GLU A 31 12.463 -2.014 -10.201 1.00 0.00 N ATOM 500 CA GLU A 31 12.290 -3.327 -10.803 1.00 0.00 C ATOM 501 C GLU A 31 10.835 -3.552 -11.216 1.00 0.00 C ATOM 502 O GLU A 31 10.555 -4.039 -12.309 1.00 0.00 O ATOM 503 CB GLU A 31 12.702 -4.430 -9.828 1.00 0.00 C ATOM 504 CG GLU A 31 14.055 -4.214 -9.176 1.00 0.00 C ATOM 505 CD GLU A 31 14.398 -5.317 -8.194 1.00 0.00 C ATOM 506 OE1 GLU A 31 13.496 -5.767 -7.450 1.00 0.00 O ATOM 507 OE2 GLU A 31 15.570 -5.743 -8.158 1.00 0.00 O ATOM 0 H GLU A 31 12.786 -2.032 -9.234 1.00 0.00 H new ATOM 0 HA GLU A 31 12.927 -3.365 -11.687 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.945 -4.511 -9.048 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.716 -5.382 -10.359 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.824 -4.163 -9.947 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.058 -3.255 -8.659 1.00 0.00 H new ATOM 514 N LYS A 32 9.913 -3.194 -10.326 1.00 0.00 N ATOM 515 CA LYS A 32 8.491 -3.471 -10.528 1.00 0.00 C ATOM 516 C LYS A 32 7.750 -2.278 -11.130 1.00 0.00 C ATOM 517 O LYS A 32 6.563 -2.368 -11.440 1.00 0.00 O ATOM 518 CB LYS A 32 7.828 -3.884 -9.205 1.00 0.00 C ATOM 519 CG LYS A 32 8.110 -5.325 -8.778 1.00 0.00 C ATOM 520 CD LYS A 32 9.597 -5.592 -8.591 1.00 0.00 C ATOM 521 CE LYS A 32 9.860 -7.000 -8.091 1.00 0.00 C ATOM 522 NZ LYS A 32 11.314 -7.323 -8.077 1.00 0.00 N ATOM 0 H LYS A 32 10.125 -2.709 -9.454 1.00 0.00 H new ATOM 0 HA LYS A 32 8.426 -4.295 -11.239 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.168 -3.212 -8.417 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.750 -3.749 -9.296 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.586 -5.535 -7.846 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.712 -6.008 -9.528 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.115 -5.440 -9.538 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.009 -4.872 -7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.454 -7.110 -7.085 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.336 -7.714 -8.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.490 -8.102 -7.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.615 -7.609 -9.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.853 -6.485 -7.780 1.00 0.00 H new ATOM 536 N ASN A 33 8.465 -1.165 -11.284 1.00 0.00 N ATOM 537 CA ASN A 33 7.905 0.069 -11.848 1.00 0.00 C ATOM 538 C ASN A 33 6.727 0.569 -11.015 1.00 0.00 C ATOM 539 O ASN A 33 5.685 0.955 -11.543 1.00 0.00 O ATOM 540 CB ASN A 33 7.492 -0.125 -13.313 1.00 0.00 C ATOM 541 CG ASN A 33 8.688 -0.296 -14.231 1.00 0.00 C ATOM 542 OD1 ASN A 33 9.242 0.681 -14.743 1.00 0.00 O ATOM 543 ND2 ASN A 33 9.094 -1.536 -14.451 1.00 0.00 N ATOM 0 H ASN A 33 9.448 -1.090 -11.023 1.00 0.00 H new ATOM 0 HA ASN A 33 8.687 0.828 -11.818 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.847 -1.000 -13.393 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.906 0.734 -13.640 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.891 -1.711 -15.063 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.610 -2.317 -14.009 1.00 0.00 H new ATOM 550 N LEU A 34 6.930 0.570 -9.709 1.00 0.00 N ATOM 551 CA LEU A 34 5.921 0.987 -8.741 1.00 0.00 C ATOM 552 C LEU A 34 6.569 1.915 -7.728 1.00 0.00 C ATOM 553 O LEU A 34 7.784 2.058 -7.723 1.00 0.00 O ATOM 554 CB LEU A 34 5.330 -0.229 -8.019 1.00 0.00 C ATOM 555 CG LEU A 34 4.540 -1.198 -8.901 1.00 0.00 C ATOM 556 CD1 LEU A 34 4.112 -2.418 -8.103 1.00 0.00 C ATOM 557 CD2 LEU A 34 3.326 -0.507 -9.499 1.00 0.00 C ATOM 0 H LEU A 34 7.809 0.278 -9.282 1.00 0.00 H new ATOM 0 HA LEU A 34 5.115 1.502 -9.263 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.143 -0.778 -7.544 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.676 0.126 -7.222 1.00 0.00 H new ATOM 0 HG LEU A 34 5.188 -1.525 -9.714 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.551 -3.096 -8.747 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.995 -2.929 -7.719 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.482 -2.105 -7.270 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.777 -1.212 -10.123 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.679 -0.151 -8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.651 0.338 -10.106 1.00 0.00 H new ATOM 569 N THR A 35 5.774 2.573 -6.899 1.00 0.00 N ATOM 570 CA THR A 35 6.336 3.385 -5.830 1.00 0.00 C ATOM 571 C THR A 35 6.199 2.656 -4.504 1.00 0.00 C ATOM 572 O THR A 35 5.373 1.748 -4.378 1.00 0.00 O ATOM 573 CB THR A 35 5.663 4.769 -5.723 1.00 0.00 C ATOM 574 OG1 THR A 35 4.309 4.630 -5.274 1.00 0.00 O ATOM 575 CG2 THR A 35 5.686 5.484 -7.064 1.00 0.00 C ATOM 0 H THR A 35 4.755 2.563 -6.943 1.00 0.00 H new ATOM 0 HA THR A 35 7.387 3.547 -6.069 1.00 0.00 H new ATOM 0 HB THR A 35 6.222 5.362 -5.000 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.737 4.385 -6.031 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.206 6.458 -6.965 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.718 5.619 -7.387 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.150 4.889 -7.803 1.00 0.00 H new ATOM 583 N LEU A 36 7.001 3.035 -3.520 1.00 0.00 N ATOM 584 CA LEU A 36 6.962 2.382 -2.217 1.00 0.00 C ATOM 585 C LEU A 36 5.566 2.493 -1.603 1.00 0.00 C ATOM 586 O LEU A 36 5.085 1.559 -0.960 1.00 0.00 O ATOM 587 CB LEU A 36 8.024 2.967 -1.274 1.00 0.00 C ATOM 588 CG LEU A 36 7.747 4.366 -0.705 1.00 0.00 C ATOM 589 CD1 LEU A 36 8.728 4.675 0.411 1.00 0.00 C ATOM 590 CD2 LEU A 36 7.839 5.435 -1.785 1.00 0.00 C ATOM 0 H LEU A 36 7.685 3.788 -3.597 1.00 0.00 H new ATOM 0 HA LEU A 36 7.190 1.326 -2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.152 2.279 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.973 2.999 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 36 6.731 4.372 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.525 5.669 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.620 3.937 1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.745 4.641 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.637 6.413 -1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.840 5.430 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.106 5.228 -2.565 1.00 0.00 H new ATOM 602 N SER A 37 4.920 3.630 -1.835 1.00 0.00 N ATOM 603 CA SER A 37 3.552 3.858 -1.391 1.00 0.00 C ATOM 604 C SER A 37 2.622 2.774 -1.936 1.00 0.00 C ATOM 605 O SER A 37 1.785 2.228 -1.207 1.00 0.00 O ATOM 606 CB SER A 37 3.090 5.233 -1.872 1.00 0.00 C ATOM 607 OG SER A 37 4.040 6.230 -1.540 1.00 0.00 O ATOM 0 H SER A 37 5.330 4.418 -2.336 1.00 0.00 H new ATOM 0 HA SER A 37 3.520 3.820 -0.302 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.939 5.213 -2.951 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.128 5.477 -1.420 1.00 0.00 H new ATOM 0 HG SER A 37 3.589 7.096 -1.453 1.00 0.00 H new ATOM 613 N ASP A 38 2.797 2.451 -3.215 1.00 0.00 N ATOM 614 CA ASP A 38 2.003 1.413 -3.861 1.00 0.00 C ATOM 615 C ASP A 38 2.280 0.071 -3.214 1.00 0.00 C ATOM 616 O ASP A 38 1.366 -0.711 -2.967 1.00 0.00 O ATOM 617 CB ASP A 38 2.310 1.323 -5.359 1.00 0.00 C ATOM 618 CG ASP A 38 1.853 2.540 -6.133 1.00 0.00 C ATOM 619 OD1 ASP A 38 0.632 2.791 -6.184 1.00 0.00 O ATOM 620 OD2 ASP A 38 2.714 3.241 -6.709 1.00 0.00 O ATOM 0 H ASP A 38 3.484 2.895 -3.825 1.00 0.00 H new ATOM 0 HA ASP A 38 0.952 1.676 -3.739 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.384 1.194 -5.497 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.828 0.436 -5.770 1.00 0.00 H new ATOM 625 N VAL A 39 3.546 -0.173 -2.912 1.00 0.00 N ATOM 626 CA VAL A 39 3.961 -1.433 -2.319 1.00 0.00 C ATOM 627 C VAL A 39 3.318 -1.641 -0.949 1.00 0.00 C ATOM 628 O VAL A 39 2.907 -2.747 -0.623 1.00 0.00 O ATOM 629 CB VAL A 39 5.500 -1.511 -2.178 1.00 0.00 C ATOM 630 CG1 VAL A 39 5.929 -2.840 -1.571 1.00 0.00 C ATOM 631 CG2 VAL A 39 6.174 -1.302 -3.527 1.00 0.00 C ATOM 0 H VAL A 39 4.306 0.489 -3.069 1.00 0.00 H new ATOM 0 HA VAL A 39 3.627 -2.223 -2.992 1.00 0.00 H new ATOM 0 HB VAL A 39 5.814 -0.714 -1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.015 -2.866 -1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.483 -2.949 -0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.596 -3.657 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.256 -1.361 -3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.844 -2.074 -4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.905 -0.321 -3.920 1.00 0.00 H new ATOM 641 N CYS A 40 3.207 -0.575 -0.162 1.00 0.00 N ATOM 642 CA CYS A 40 2.697 -0.692 1.203 1.00 0.00 C ATOM 643 C CYS A 40 1.199 -0.998 1.234 1.00 0.00 C ATOM 644 O CYS A 40 0.778 -1.945 1.886 1.00 0.00 O ATOM 645 CB CYS A 40 3.019 0.567 2.016 1.00 0.00 C ATOM 646 SG CYS A 40 4.751 1.081 1.929 1.00 0.00 S ATOM 0 H CYS A 40 3.461 0.373 -0.441 1.00 0.00 H new ATOM 0 HA CYS A 40 3.205 -1.538 1.665 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.391 1.385 1.663 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.756 0.390 3.059 1.00 0.00 H new ATOM 0 HG CYS A 40 5.121 1.149 0.685 1.00 0.00 H new ATOM 652 N ARG A 41 0.391 -0.192 0.559 1.00 0.00 N ATOM 653 CA ARG A 41 -1.028 -0.495 0.424 1.00 0.00 C ATOM 654 C ARG A 41 -1.251 -1.872 -0.217 1.00 0.00 C ATOM 655 O ARG A 41 -2.145 -2.609 0.196 1.00 0.00 O ATOM 656 CB ARG A 41 -1.753 0.623 -0.344 1.00 0.00 C ATOM 657 CG ARG A 41 -1.130 1.004 -1.676 1.00 0.00 C ATOM 658 CD ARG A 41 -1.722 0.227 -2.840 1.00 0.00 C ATOM 659 NE ARG A 41 -1.220 0.729 -4.119 1.00 0.00 N ATOM 660 CZ ARG A 41 -1.599 0.274 -5.313 1.00 0.00 C ATOM 661 NH1 ARG A 41 -2.537 -0.657 -5.414 1.00 0.00 N ATOM 662 NH2 ARG A 41 -1.058 0.780 -6.410 1.00 0.00 N ATOM 0 H ARG A 41 0.689 0.669 0.100 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.461 -0.541 1.423 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.783 0.312 -0.519 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.791 1.510 0.288 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.271 2.071 -1.847 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.055 0.827 -1.634 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.475 -0.830 -2.739 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.809 0.304 -2.817 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.531 1.481 -4.095 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.976 -1.032 -4.573 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.820 -0.998 -6.333 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.354 1.515 -6.339 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.345 0.435 -7.326 1.00 0.00 H new ATOM 676 N LEU A 42 -0.417 -2.250 -1.182 1.00 0.00 N ATOM 677 CA LEU A 42 -0.512 -3.588 -1.768 1.00 0.00 C ATOM 678 C LEU A 42 -0.139 -4.636 -0.736 1.00 0.00 C ATOM 679 O LEU A 42 -0.661 -5.751 -0.737 1.00 0.00 O ATOM 680 CB LEU A 42 0.397 -3.723 -2.989 1.00 0.00 C ATOM 681 CG LEU A 42 -0.095 -3.008 -4.244 1.00 0.00 C ATOM 682 CD1 LEU A 42 0.939 -3.108 -5.354 1.00 0.00 C ATOM 683 CD2 LEU A 42 -1.423 -3.594 -4.699 1.00 0.00 C ATOM 0 H LEU A 42 0.320 -1.662 -1.571 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.542 -3.742 -2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.384 -3.337 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.519 -4.782 -3.217 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.243 -1.954 -4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.571 -2.593 -6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.870 -2.647 -5.026 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.118 -4.157 -5.591 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.762 -3.074 -5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.296 -4.654 -4.920 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.164 -3.474 -3.908 1.00 0.00 H new ATOM 695 N ALA A 43 0.752 -4.254 0.160 1.00 0.00 N ATOM 696 CA ALA A 43 1.195 -5.130 1.218 1.00 0.00 C ATOM 697 C ALA A 43 0.108 -5.308 2.264 1.00 0.00 C ATOM 698 O ALA A 43 0.048 -6.332 2.934 1.00 0.00 O ATOM 699 CB ALA A 43 2.462 -4.595 1.851 1.00 0.00 C ATOM 0 H ALA A 43 1.185 -3.331 0.171 1.00 0.00 H new ATOM 0 HA ALA A 43 1.410 -6.107 0.785 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.783 -5.267 2.647 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.245 -4.527 1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.271 -3.605 2.267 1.00 0.00 H new ATOM 705 N ILE A 44 -0.754 -4.301 2.401 1.00 0.00 N ATOM 706 CA ILE A 44 -1.877 -4.377 3.321 1.00 0.00 C ATOM 707 C ILE A 44 -2.841 -5.443 2.838 1.00 0.00 C ATOM 708 O ILE A 44 -3.337 -6.259 3.615 1.00 0.00 O ATOM 709 CB ILE A 44 -2.625 -3.030 3.432 1.00 0.00 C ATOM 710 CG1 ILE A 44 -1.693 -1.937 3.958 1.00 0.00 C ATOM 711 CG2 ILE A 44 -3.841 -3.168 4.336 1.00 0.00 C ATOM 712 CD1 ILE A 44 -2.347 -0.570 4.043 1.00 0.00 C ATOM 0 H ILE A 44 -0.692 -3.424 1.884 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.487 -4.625 4.308 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.963 -2.745 2.436 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.335 -2.221 4.947 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.819 -1.873 3.309 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.356 -2.209 4.402 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.518 -3.916 3.923 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.521 -3.478 5.331 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.627 0.155 4.424 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.680 -0.264 3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.204 -0.618 4.715 1.00 0.00 H new ATOM 724 N LYS A 45 -3.083 -5.430 1.536 1.00 0.00 N ATOM 725 CA LYS A 45 -3.935 -6.417 0.906 1.00 0.00 C ATOM 726 C LYS A 45 -3.375 -7.822 1.138 1.00 0.00 C ATOM 727 O LYS A 45 -4.124 -8.776 1.368 1.00 0.00 O ATOM 728 CB LYS A 45 -4.053 -6.123 -0.591 1.00 0.00 C ATOM 729 CG LYS A 45 -5.093 -6.964 -1.305 1.00 0.00 C ATOM 730 CD LYS A 45 -5.115 -6.663 -2.794 1.00 0.00 C ATOM 731 CE LYS A 45 -6.271 -7.357 -3.489 1.00 0.00 C ATOM 732 NZ LYS A 45 -7.586 -6.849 -3.017 1.00 0.00 N ATOM 0 H LYS A 45 -2.696 -4.739 0.894 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.929 -6.367 1.350 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.298 -5.069 -0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.083 -6.287 -1.061 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.880 -8.021 -1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.077 -6.771 -0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.192 -5.586 -2.947 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.175 -6.982 -3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.189 -7.208 -4.566 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.211 -8.431 -3.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.324 -7.107 -3.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.810 -7.271 -2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.545 -5.814 -2.924 1.00 0.00 H new ATOM 746 N GLU A 46 -2.050 -7.922 1.109 1.00 0.00 N ATOM 747 CA GLU A 46 -1.355 -9.177 1.361 1.00 0.00 C ATOM 748 C GLU A 46 -1.522 -9.562 2.823 1.00 0.00 C ATOM 749 O GLU A 46 -1.802 -10.710 3.153 1.00 0.00 O ATOM 750 CB GLU A 46 0.134 -9.019 1.017 1.00 0.00 C ATOM 751 CG GLU A 46 1.013 -10.202 1.412 1.00 0.00 C ATOM 752 CD GLU A 46 0.785 -11.426 0.553 1.00 0.00 C ATOM 753 OE1 GLU A 46 1.270 -11.446 -0.601 1.00 0.00 O ATOM 754 OE2 GLU A 46 0.145 -12.385 1.026 1.00 0.00 O ATOM 0 H GLU A 46 -1.430 -7.137 0.911 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.778 -9.964 0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.229 -8.857 -0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.513 -8.123 1.509 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.060 -9.907 1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.822 -10.457 2.454 1.00 0.00 H new ATOM 761 N TYR A 47 -1.393 -8.571 3.688 1.00 0.00 N ATOM 762 CA TYR A 47 -1.466 -8.781 5.122 1.00 0.00 C ATOM 763 C TYR A 47 -2.842 -9.309 5.519 1.00 0.00 C ATOM 764 O TYR A 47 -2.956 -10.304 6.244 1.00 0.00 O ATOM 765 CB TYR A 47 -1.173 -7.462 5.851 1.00 0.00 C ATOM 766 CG TYR A 47 -1.021 -7.597 7.351 1.00 0.00 C ATOM 767 CD1 TYR A 47 0.217 -7.866 7.914 1.00 0.00 C ATOM 768 CD2 TYR A 47 -2.111 -7.452 8.204 1.00 0.00 C ATOM 769 CE1 TYR A 47 0.372 -7.990 9.280 1.00 0.00 C ATOM 770 CE2 TYR A 47 -1.965 -7.574 9.575 1.00 0.00 C ATOM 771 CZ TYR A 47 -0.720 -7.843 10.106 1.00 0.00 C ATOM 772 OH TYR A 47 -0.567 -7.971 11.468 1.00 0.00 O ATOM 0 H TYR A 47 -1.235 -7.601 3.416 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.721 -9.523 5.408 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.259 -7.031 5.443 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.979 -6.758 5.642 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.077 -7.981 7.271 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.086 -7.241 7.790 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.345 -8.201 9.699 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -2.820 -7.459 10.225 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.432 -7.838 11.908 1.00 0.00 H new ATOM 782 N LEU A 48 -3.880 -8.647 5.021 1.00 0.00 N ATOM 783 CA LEU A 48 -5.253 -8.984 5.372 1.00 0.00 C ATOM 784 C LEU A 48 -5.647 -10.352 4.824 1.00 0.00 C ATOM 785 O LEU A 48 -6.025 -11.247 5.579 1.00 0.00 O ATOM 786 CB LEU A 48 -6.223 -7.924 4.833 1.00 0.00 C ATOM 787 CG LEU A 48 -5.900 -6.476 5.209 1.00 0.00 C ATOM 788 CD1 LEU A 48 -6.977 -5.538 4.684 1.00 0.00 C ATOM 789 CD2 LEU A 48 -5.744 -6.332 6.716 1.00 0.00 C ATOM 0 H LEU A 48 -3.794 -7.868 4.368 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.313 -9.013 6.460 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.248 -8.001 3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.225 -8.159 5.193 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.952 -6.203 4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.732 -4.512 4.960 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.032 -5.618 3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.939 -5.810 5.117 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.515 -5.295 6.961 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.672 -6.624 7.207 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.933 -6.974 7.061 1.00 0.00 H new ATOM 801 N ASP A 49 -5.548 -10.502 3.510 1.00 0.00 N ATOM 802 CA ASP A 49 -6.052 -11.691 2.822 1.00 0.00 C ATOM 803 C ASP A 49 -5.298 -12.960 3.219 1.00 0.00 C ATOM 804 O ASP A 49 -5.874 -14.049 3.249 1.00 0.00 O ATOM 805 CB ASP A 49 -5.976 -11.494 1.309 1.00 0.00 C ATOM 806 CG ASP A 49 -6.683 -12.595 0.542 1.00 0.00 C ATOM 807 OD1 ASP A 49 -7.929 -12.655 0.598 1.00 0.00 O ATOM 808 OD2 ASP A 49 -6.001 -13.394 -0.136 1.00 0.00 O ATOM 0 H ASP A 49 -5.121 -9.812 2.892 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.090 -11.821 3.127 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.419 -10.533 1.049 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.930 -11.457 1.003 1.00 0.00 H new ATOM 813 N ASN A 50 -4.017 -12.815 3.532 1.00 0.00 N ATOM 814 CA ASN A 50 -3.158 -13.965 3.816 1.00 0.00 C ATOM 815 C ASN A 50 -3.420 -14.511 5.219 1.00 0.00 C ATOM 816 O ASN A 50 -3.556 -15.718 5.408 1.00 0.00 O ATOM 817 CB ASN A 50 -1.688 -13.553 3.672 1.00 0.00 C ATOM 818 CG ASN A 50 -0.709 -14.715 3.641 1.00 0.00 C ATOM 819 OD1 ASN A 50 -0.923 -15.760 4.250 1.00 0.00 O ATOM 820 ND2 ASN A 50 0.385 -14.529 2.915 1.00 0.00 N ATOM 0 H ASN A 50 -3.546 -11.912 3.597 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.385 -14.756 3.101 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.574 -12.974 2.756 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.425 -12.895 4.500 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.085 -15.268 2.848 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.527 -13.647 2.423 1.00 0.00 H new ATOM 1084 N GLY B 10 14.193 8.300 9.119 1.00 0.00 N ATOM 1085 CA GLY B 10 12.832 8.142 8.642 1.00 0.00 C ATOM 1086 C GLY B 10 12.479 9.126 7.544 1.00 0.00 C ATOM 1087 O GLY B 10 12.871 10.291 7.595 1.00 0.00 O ATOM 0 HA2 GLY B 10 12.697 7.126 8.271 1.00 0.00 H new ATOM 0 HA3 GLY B 10 12.142 8.271 9.476 1.00 0.00 H new ATOM 1091 N ILE B 11 11.740 8.645 6.551 1.00 0.00 N ATOM 1092 CA ILE B 11 11.348 9.450 5.399 1.00 0.00 C ATOM 1093 C ILE B 11 9.825 9.396 5.246 1.00 0.00 C ATOM 1094 O ILE B 11 9.192 8.427 5.682 1.00 0.00 O ATOM 1095 CB ILE B 11 12.007 8.924 4.096 1.00 0.00 C ATOM 1096 CG1 ILE B 11 13.498 8.636 4.301 1.00 0.00 C ATOM 1097 CG2 ILE B 11 11.819 9.914 2.952 1.00 0.00 C ATOM 1098 CD1 ILE B 11 14.333 9.866 4.593 1.00 0.00 C ATOM 0 H ILE B 11 11.395 7.685 6.521 1.00 0.00 H new ATOM 0 HA ILE B 11 11.681 10.475 5.565 1.00 0.00 H new ATOM 0 HB ILE B 11 11.511 7.989 3.836 1.00 0.00 H new ATOM 0 HG12 ILE B 11 13.611 7.930 5.124 1.00 0.00 H new ATOM 0 HG13 ILE B 11 13.889 8.149 3.408 1.00 0.00 H new ATOM 0 HG21 ILE B 11 12.290 9.522 2.050 1.00 0.00 H new ATOM 0 HG22 ILE B 11 10.755 10.062 2.770 1.00 0.00 H new ATOM 0 HG23 ILE B 11 12.278 10.867 3.216 1.00 0.00 H new ATOM 0 HD11 ILE B 11 15.375 9.575 4.725 1.00 0.00 H new ATOM 0 HD12 ILE B 11 14.254 10.565 3.761 1.00 0.00 H new ATOM 0 HD13 ILE B 11 13.971 10.343 5.504 1.00 0.00 H new ATOM 1110 N LYS B 12 9.244 10.406 4.606 1.00 0.00 N ATOM 1111 CA LYS B 12 7.792 10.504 4.481 1.00 0.00 C ATOM 1112 C LYS B 12 7.336 10.017 3.113 1.00 0.00 C ATOM 1113 O LYS B 12 7.898 10.392 2.084 1.00 0.00 O ATOM 1114 CB LYS B 12 7.343 11.956 4.679 1.00 0.00 C ATOM 1115 CG LYS B 12 5.844 12.180 4.517 1.00 0.00 C ATOM 1116 CD LYS B 12 5.060 11.720 5.736 1.00 0.00 C ATOM 1117 CE LYS B 12 3.567 11.964 5.567 1.00 0.00 C ATOM 1118 NZ LYS B 12 2.843 11.906 6.869 1.00 0.00 N ATOM 0 H LYS B 12 9.756 11.170 4.165 1.00 0.00 H new ATOM 0 HA LYS B 12 7.341 9.875 5.249 1.00 0.00 H new ATOM 0 HB2 LYS B 12 7.641 12.283 5.675 1.00 0.00 H new ATOM 0 HB3 LYS B 12 7.872 12.587 3.965 1.00 0.00 H new ATOM 0 HG2 LYS B 12 5.653 13.239 4.343 1.00 0.00 H new ATOM 0 HG3 LYS B 12 5.491 11.643 3.636 1.00 0.00 H new ATOM 0 HD2 LYS B 12 5.239 10.658 5.905 1.00 0.00 H new ATOM 0 HD3 LYS B 12 5.418 12.248 6.620 1.00 0.00 H new ATOM 0 HE2 LYS B 12 3.408 12.939 5.107 1.00 0.00 H new ATOM 0 HE3 LYS B 12 3.152 11.219 4.888 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 1.915 12.365 6.771 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 2.710 10.913 7.148 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 3.398 12.399 7.597 1.00 0.00 H new ATOM 1132 N LEU B 13 6.325 9.166 3.121 1.00 0.00 N ATOM 1133 CA LEU B 13 5.751 8.627 1.905 1.00 0.00 C ATOM 1134 C LEU B 13 4.236 8.704 1.983 1.00 0.00 C ATOM 1135 O LEU B 13 3.673 8.842 3.071 1.00 0.00 O ATOM 1136 CB LEU B 13 6.207 7.177 1.678 1.00 0.00 C ATOM 1137 CG LEU B 13 6.086 6.238 2.887 1.00 0.00 C ATOM 1138 CD1 LEU B 13 5.990 4.791 2.429 1.00 0.00 C ATOM 1139 CD2 LEU B 13 7.281 6.406 3.824 1.00 0.00 C ATOM 0 H LEU B 13 5.879 8.830 3.975 1.00 0.00 H new ATOM 0 HA LEU B 13 6.098 9.220 1.059 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.625 6.758 0.857 1.00 0.00 H new ATOM 0 HB3 LEU B 13 7.248 7.190 1.356 1.00 0.00 H new ATOM 0 HG LEU B 13 5.177 6.500 3.428 1.00 0.00 H new ATOM 0 HD11 LEU B 13 5.905 4.139 3.298 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.112 4.667 1.795 1.00 0.00 H new ATOM 0 HD13 LEU B 13 6.885 4.528 1.864 1.00 0.00 H new ATOM 0 HD21 LEU B 13 7.175 5.731 4.674 1.00 0.00 H new ATOM 0 HD22 LEU B 13 8.200 6.171 3.287 1.00 0.00 H new ATOM 0 HD23 LEU B 13 7.322 7.435 4.181 1.00 0.00 H new ATOM 1151 N GLY B 14 3.579 8.608 0.841 1.00 0.00 N ATOM 1152 CA GLY B 14 2.141 8.742 0.811 1.00 0.00 C ATOM 1153 C GLY B 14 1.502 7.834 -0.211 1.00 0.00 C ATOM 1154 O GLY B 14 2.083 7.563 -1.263 1.00 0.00 O ATOM 0 H GLY B 14 4.015 8.440 -0.066 1.00 0.00 H new ATOM 0 HA2 GLY B 14 1.737 8.516 1.798 1.00 0.00 H new ATOM 0 HA3 GLY B 14 1.879 9.776 0.589 1.00 0.00 H new ATOM 1158 N VAL B 15 0.308 7.354 0.108 1.00 0.00 N ATOM 1159 CA VAL B 15 -0.405 6.416 -0.748 1.00 0.00 C ATOM 1160 C VAL B 15 -1.842 6.894 -0.968 1.00 0.00 C ATOM 1161 O VAL B 15 -2.314 7.801 -0.275 1.00 0.00 O ATOM 1162 CB VAL B 15 -0.437 4.997 -0.116 1.00 0.00 C ATOM 1163 CG1 VAL B 15 -0.777 3.940 -1.154 1.00 0.00 C ATOM 1164 CG2 VAL B 15 0.879 4.664 0.573 1.00 0.00 C ATOM 0 H VAL B 15 -0.191 7.602 0.962 1.00 0.00 H new ATOM 0 HA VAL B 15 0.122 6.368 -1.701 1.00 0.00 H new ATOM 0 HB VAL B 15 -1.222 4.998 0.640 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -0.792 2.958 -0.682 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -1.757 4.152 -1.582 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -0.026 3.951 -1.944 1.00 0.00 H new ATOM 0 HG21 VAL B 15 0.821 3.664 1.004 1.00 0.00 H new ATOM 0 HG22 VAL B 15 1.690 4.699 -0.155 1.00 0.00 H new ATOM 0 HG23 VAL B 15 1.069 5.390 1.364 1.00 0.00 H new ATOM 1174 N TYR B 16 -2.520 6.305 -1.948 1.00 0.00 N ATOM 1175 CA TYR B 16 -3.946 6.526 -2.151 1.00 0.00 C ATOM 1176 C TYR B 16 -4.673 5.195 -2.208 1.00 0.00 C ATOM 1177 O TYR B 16 -4.357 4.342 -3.036 1.00 0.00 O ATOM 1178 CB TYR B 16 -4.228 7.315 -3.430 1.00 0.00 C ATOM 1179 CG TYR B 16 -4.183 8.806 -3.233 1.00 0.00 C ATOM 1180 CD1 TYR B 16 -5.183 9.443 -2.522 1.00 0.00 C ATOM 1181 CD2 TYR B 16 -3.150 9.571 -3.748 1.00 0.00 C ATOM 1182 CE1 TYR B 16 -5.164 10.804 -2.324 1.00 0.00 C ATOM 1183 CE2 TYR B 16 -3.118 10.939 -3.557 1.00 0.00 C ATOM 1184 CZ TYR B 16 -4.128 11.552 -2.843 1.00 0.00 C ATOM 1185 OH TYR B 16 -4.097 12.916 -2.638 1.00 0.00 O ATOM 0 H TYR B 16 -2.098 5.664 -2.620 1.00 0.00 H new ATOM 0 HA TYR B 16 -4.308 7.114 -1.308 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -3.499 7.034 -4.190 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -5.210 7.036 -3.812 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.995 8.860 -2.114 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.359 9.092 -4.306 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -5.955 11.283 -1.766 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.307 11.525 -3.964 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.301 13.293 -3.068 1.00 0.00 H new ATOM 1195 N ILE B 17 -5.634 5.021 -1.313 1.00 0.00 N ATOM 1196 CA ILE B 17 -6.403 3.784 -1.245 1.00 0.00 C ATOM 1197 C ILE B 17 -7.883 4.076 -1.017 1.00 0.00 C ATOM 1198 O ILE B 17 -8.236 5.108 -0.435 1.00 0.00 O ATOM 1199 CB ILE B 17 -5.884 2.837 -0.135 1.00 0.00 C ATOM 1200 CG1 ILE B 17 -5.884 3.542 1.224 1.00 0.00 C ATOM 1201 CG2 ILE B 17 -4.491 2.327 -0.480 1.00 0.00 C ATOM 1202 CD1 ILE B 17 -5.382 2.679 2.361 1.00 0.00 C ATOM 0 H ILE B 17 -5.901 5.722 -0.622 1.00 0.00 H new ATOM 0 HA ILE B 17 -6.277 3.283 -2.205 1.00 0.00 H new ATOM 0 HB ILE B 17 -6.556 1.982 -0.070 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -5.265 4.436 1.159 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -6.898 3.872 1.451 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -4.141 1.663 0.310 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -4.526 1.782 -1.423 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -3.808 3.171 -0.574 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -5.412 3.248 3.290 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -6.015 1.797 2.455 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.357 2.370 2.158 1.00 0.00 H new ATOM 1214 N PRO B 18 -8.762 3.172 -1.485 1.00 0.00 N ATOM 1215 CA PRO B 18 -10.222 3.334 -1.391 1.00 0.00 C ATOM 1216 C PRO B 18 -10.717 3.524 0.044 1.00 0.00 C ATOM 1217 O PRO B 18 -10.054 3.134 1.010 1.00 0.00 O ATOM 1218 CB PRO B 18 -10.768 2.018 -1.958 1.00 0.00 C ATOM 1219 CG PRO B 18 -9.678 1.486 -2.819 1.00 0.00 C ATOM 1220 CD PRO B 18 -8.395 1.915 -2.168 1.00 0.00 C ATOM 0 HA PRO B 18 -10.552 4.226 -1.924 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -11.017 1.318 -1.160 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -11.679 2.184 -2.533 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -9.734 0.400 -2.894 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -9.753 1.880 -3.833 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -8.032 1.166 -1.464 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -7.605 2.072 -2.902 1.00 0.00 H new ATOM 1228 N GLN B 19 -11.903 4.119 0.169 1.00 0.00 N ATOM 1229 CA GLN B 19 -12.520 4.358 1.473 1.00 0.00 C ATOM 1230 C GLN B 19 -12.884 3.029 2.131 1.00 0.00 C ATOM 1231 O GLN B 19 -13.018 2.945 3.351 1.00 0.00 O ATOM 1232 CB GLN B 19 -13.763 5.250 1.318 1.00 0.00 C ATOM 1233 CG GLN B 19 -15.033 4.498 0.940 1.00 0.00 C ATOM 1234 CD GLN B 19 -15.925 4.224 2.140 1.00 0.00 C ATOM 1235 OE1 GLN B 19 -15.991 5.019 3.077 1.00 0.00 O ATOM 1236 NE2 GLN B 19 -16.598 3.087 2.136 1.00 0.00 N ATOM 0 H GLN B 19 -12.458 4.446 -0.622 1.00 0.00 H new ATOM 0 HA GLN B 19 -11.807 4.876 2.114 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -13.934 5.780 2.255 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -13.562 6.004 0.557 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -15.589 5.077 0.203 1.00 0.00 H new ATOM 0 HG3 GLN B 19 -14.765 3.553 0.467 1.00 0.00 H new ATOM 0 HE21 GLN B 19 -16.520 2.451 1.342 1.00 0.00 H new ATOM 0 HE22 GLN B 19 -17.196 2.845 2.926 1.00 0.00 H new ATOM 1245 N GLU B 20 -13.037 1.992 1.301 1.00 0.00 N ATOM 1246 CA GLU B 20 -13.257 0.632 1.783 1.00 0.00 C ATOM 1247 C GLU B 20 -12.139 0.242 2.738 1.00 0.00 C ATOM 1248 O GLU B 20 -12.371 -0.334 3.808 1.00 0.00 O ATOM 1249 CB GLU B 20 -13.297 -0.355 0.612 1.00 0.00 C ATOM 1250 CG GLU B 20 -14.366 -0.039 -0.421 1.00 0.00 C ATOM 1251 CD GLU B 20 -15.752 0.015 0.181 1.00 0.00 C ATOM 1252 OE1 GLU B 20 -16.340 -1.055 0.430 1.00 0.00 O ATOM 1253 OE2 GLU B 20 -16.255 1.131 0.416 1.00 0.00 O ATOM 0 H GLU B 20 -13.012 2.074 0.285 1.00 0.00 H new ATOM 0 HA GLU B 20 -14.214 0.597 2.303 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -12.323 -0.363 0.122 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -13.466 -1.359 1.001 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -14.140 0.917 -0.892 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -14.343 -0.795 -1.206 1.00 0.00 H new ATOM 1260 N TRP B 21 -10.937 0.651 2.377 1.00 0.00 N ATOM 1261 CA TRP B 21 -9.761 0.324 3.147 1.00 0.00 C ATOM 1262 C TRP B 21 -9.745 1.162 4.397 1.00 0.00 C ATOM 1263 O TRP B 21 -9.607 0.642 5.492 1.00 0.00 O ATOM 1264 CB TRP B 21 -8.499 0.646 2.361 1.00 0.00 C ATOM 1265 CG TRP B 21 -8.192 -0.259 1.213 1.00 0.00 C ATOM 1266 CD1 TRP B 21 -9.047 -0.780 0.285 1.00 0.00 C ATOM 1267 CD2 TRP B 21 -6.892 -0.702 0.858 1.00 0.00 C ATOM 1268 NE1 TRP B 21 -8.341 -1.531 -0.630 1.00 0.00 N ATOM 1269 CE2 TRP B 21 -7.008 -1.494 -0.295 1.00 0.00 C ATOM 1270 CE3 TRP B 21 -5.635 -0.496 1.417 1.00 0.00 C ATOM 1271 CZ2 TRP B 21 -5.895 -2.080 -0.902 1.00 0.00 C ATOM 1272 CZ3 TRP B 21 -4.543 -1.069 0.823 1.00 0.00 C ATOM 1273 CH2 TRP B 21 -4.671 -1.850 -0.324 1.00 0.00 C ATOM 0 H TRP B 21 -10.753 1.215 1.547 1.00 0.00 H new ATOM 0 HA TRP B 21 -9.788 -0.740 3.382 1.00 0.00 H new ATOM 0 HB2 TRP B 21 -8.581 1.665 1.982 1.00 0.00 H new ATOM 0 HB3 TRP B 21 -7.653 0.628 3.048 1.00 0.00 H new ATOM 0 HD1 TRP B 21 -10.116 -0.627 0.270 1.00 0.00 H new ATOM 0 HE1 TRP B 21 -8.741 -2.031 -1.424 1.00 0.00 H new ATOM 0 HE3 TRP B 21 -5.522 0.107 2.306 1.00 0.00 H new ATOM 0 HZ2 TRP B 21 -5.993 -2.689 -1.789 1.00 0.00 H new ATOM 0 HZ3 TRP B 21 -3.564 -0.913 1.251 1.00 0.00 H new ATOM 0 HH2 TRP B 21 -3.788 -2.284 -0.768 1.00 0.00 H new ATOM 1284 N HIS B 22 -9.917 2.462 4.218 1.00 0.00 N ATOM 1285 CA HIS B 22 -9.844 3.397 5.327 1.00 0.00 C ATOM 1286 C HIS B 22 -10.821 3.029 6.431 1.00 0.00 C ATOM 1287 O HIS B 22 -10.426 2.921 7.583 1.00 0.00 O ATOM 1288 CB HIS B 22 -10.081 4.831 4.855 1.00 0.00 C ATOM 1289 CG HIS B 22 -8.864 5.473 4.268 1.00 0.00 C ATOM 1290 ND1 HIS B 22 -8.094 6.390 4.952 1.00 0.00 N ATOM 1291 CD2 HIS B 22 -8.275 5.319 3.059 1.00 0.00 C ATOM 1292 CE1 HIS B 22 -7.088 6.773 4.191 1.00 0.00 C ATOM 1293 NE2 HIS B 22 -7.172 6.138 3.038 1.00 0.00 N ATOM 0 H HIS B 22 -10.108 2.893 3.314 1.00 0.00 H new ATOM 0 HA HIS B 22 -8.836 3.335 5.738 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -10.878 4.834 4.112 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -10.428 5.430 5.697 1.00 0.00 H new ATOM 0 HD1 HIS B 22 -8.275 6.721 5.900 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -8.609 4.673 2.260 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -6.324 7.486 4.465 1.00 0.00 H new ATOM 1302 N ASP B 23 -12.080 2.801 6.079 1.00 0.00 N ATOM 1303 CA ASP B 23 -13.098 2.481 7.080 1.00 0.00 C ATOM 1304 C ASP B 23 -12.741 1.221 7.868 1.00 0.00 C ATOM 1305 O ASP B 23 -12.714 1.230 9.107 1.00 0.00 O ATOM 1306 CB ASP B 23 -14.467 2.302 6.425 1.00 0.00 C ATOM 1307 CG ASP B 23 -15.541 1.956 7.438 1.00 0.00 C ATOM 1308 OD1 ASP B 23 -15.917 2.842 8.235 1.00 0.00 O ATOM 1309 OD2 ASP B 23 -16.021 0.804 7.439 1.00 0.00 O ATOM 0 H ASP B 23 -12.422 2.830 5.118 1.00 0.00 H new ATOM 0 HA ASP B 23 -13.137 3.321 7.774 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.742 3.219 5.904 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -14.409 1.514 5.674 1.00 0.00 H new ATOM 1314 N ARG B 24 -12.419 0.147 7.155 1.00 0.00 N ATOM 1315 CA ARG B 24 -12.181 -1.133 7.811 1.00 0.00 C ATOM 1316 C ARG B 24 -10.844 -1.121 8.551 1.00 0.00 C ATOM 1317 O ARG B 24 -10.723 -1.686 9.638 1.00 0.00 O ATOM 1318 CB ARG B 24 -12.220 -2.289 6.801 1.00 0.00 C ATOM 1319 CG ARG B 24 -13.625 -2.714 6.372 1.00 0.00 C ATOM 1320 CD ARG B 24 -14.359 -1.615 5.619 1.00 0.00 C ATOM 1321 NE ARG B 24 -15.549 -2.123 4.934 1.00 0.00 N ATOM 1322 CZ ARG B 24 -16.140 -1.518 3.902 1.00 0.00 C ATOM 1323 NH1 ARG B 24 -15.726 -0.322 3.495 1.00 0.00 N ATOM 1324 NH2 ARG B 24 -17.164 -2.101 3.291 1.00 0.00 N ATOM 0 H ARG B 24 -12.318 0.136 6.140 1.00 0.00 H new ATOM 0 HA ARG B 24 -12.980 -1.288 8.537 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -11.656 -1.998 5.915 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -11.711 -3.150 7.234 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -13.557 -3.600 5.741 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -14.202 -2.994 7.253 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -14.649 -0.829 6.316 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -13.686 -1.162 4.890 1.00 0.00 H new ATOM 0 HE ARG B 24 -15.953 -2.998 5.268 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -14.952 0.139 3.972 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -16.183 0.134 2.705 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -17.498 -3.010 3.611 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -17.617 -1.640 2.502 1.00 0.00 H new ATOM 1338 N LEU B 25 -9.851 -0.460 7.966 1.00 0.00 N ATOM 1339 CA LEU B 25 -8.539 -0.334 8.590 1.00 0.00 C ATOM 1340 C LEU B 25 -8.596 0.563 9.820 1.00 0.00 C ATOM 1341 O LEU B 25 -7.869 0.333 10.778 1.00 0.00 O ATOM 1342 CB LEU B 25 -7.500 0.202 7.598 1.00 0.00 C ATOM 1343 CG LEU B 25 -7.059 -0.787 6.516 1.00 0.00 C ATOM 1344 CD1 LEU B 25 -6.059 -0.133 5.574 1.00 0.00 C ATOM 1345 CD2 LEU B 25 -6.463 -2.036 7.149 1.00 0.00 C ATOM 0 H LEU B 25 -9.930 -0.002 7.058 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.235 -1.333 8.904 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.909 1.088 7.112 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -6.620 0.521 8.156 1.00 0.00 H new ATOM 0 HG LEU B 25 -7.934 -1.081 5.937 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -5.756 -0.850 4.811 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -6.520 0.732 5.097 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -5.184 0.188 6.139 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -6.155 -2.729 6.366 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -5.597 -1.761 7.752 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -7.210 -2.514 7.783 1.00 0.00 H new ATOM 1357 N MET B 26 -9.451 1.584 9.793 1.00 0.00 N ATOM 1358 CA MET B 26 -9.609 2.472 10.944 1.00 0.00 C ATOM 1359 C MET B 26 -10.088 1.699 12.158 1.00 0.00 C ATOM 1360 O MET B 26 -9.622 1.933 13.272 1.00 0.00 O ATOM 1361 CB MET B 26 -10.583 3.621 10.657 1.00 0.00 C ATOM 1362 CG MET B 26 -9.996 4.741 9.813 1.00 0.00 C ATOM 1363 SD MET B 26 -8.558 5.524 10.574 1.00 0.00 S ATOM 1364 CE MET B 26 -9.247 6.089 12.131 1.00 0.00 C ATOM 0 H MET B 26 -10.041 1.816 8.994 1.00 0.00 H new ATOM 0 HA MET B 26 -8.627 2.900 11.147 1.00 0.00 H new ATOM 0 HB2 MET B 26 -11.460 3.220 10.149 1.00 0.00 H new ATOM 0 HB3 MET B 26 -10.926 4.037 11.604 1.00 0.00 H new ATOM 0 HG2 MET B 26 -9.712 4.343 8.839 1.00 0.00 H new ATOM 0 HG3 MET B 26 -10.763 5.496 9.638 1.00 0.00 H new ATOM 0 HE1 MET B 26 -8.798 7.044 12.402 1.00 0.00 H new ATOM 0 HE2 MET B 26 -10.325 6.211 12.029 1.00 0.00 H new ATOM 0 HE3 MET B 26 -9.037 5.355 12.909 1.00 0.00 H new ATOM 1374 N GLU B 27 -11.015 0.778 11.946 1.00 0.00 N ATOM 1375 CA GLU B 27 -11.496 -0.050 13.038 1.00 0.00 C ATOM 1376 C GLU B 27 -10.373 -0.930 13.576 1.00 0.00 C ATOM 1377 O GLU B 27 -10.175 -1.024 14.787 1.00 0.00 O ATOM 1378 CB GLU B 27 -12.679 -0.903 12.593 1.00 0.00 C ATOM 1379 CG GLU B 27 -13.210 -1.802 13.690 1.00 0.00 C ATOM 1380 CD GLU B 27 -14.520 -2.449 13.322 1.00 0.00 C ATOM 1381 OE1 GLU B 27 -14.512 -3.413 12.528 1.00 0.00 O ATOM 1382 OE2 GLU B 27 -15.573 -1.989 13.818 1.00 0.00 O ATOM 0 H GLU B 27 -11.444 0.587 11.040 1.00 0.00 H new ATOM 0 HA GLU B 27 -11.834 0.607 13.839 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -13.480 -0.250 12.247 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -12.378 -1.516 11.743 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -12.475 -2.576 13.908 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -13.340 -1.219 14.602 1.00 0.00 H new ATOM 1389 N ILE B 28 -9.616 -1.535 12.671 1.00 0.00 N ATOM 1390 CA ILE B 28 -8.498 -2.393 13.056 1.00 0.00 C ATOM 1391 C ILE B 28 -7.446 -1.571 13.797 1.00 0.00 C ATOM 1392 O ILE B 28 -6.799 -2.046 14.736 1.00 0.00 O ATOM 1393 CB ILE B 28 -7.858 -3.067 11.821 1.00 0.00 C ATOM 1394 CG1 ILE B 28 -8.904 -3.896 11.071 1.00 0.00 C ATOM 1395 CG2 ILE B 28 -6.678 -3.938 12.233 1.00 0.00 C ATOM 1396 CD1 ILE B 28 -8.385 -4.514 9.791 1.00 0.00 C ATOM 0 H ILE B 28 -9.754 -1.449 11.664 1.00 0.00 H new ATOM 0 HA ILE B 28 -8.881 -3.175 13.711 1.00 0.00 H new ATOM 0 HB ILE B 28 -7.487 -2.288 11.155 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -9.265 -4.688 11.727 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -9.759 -3.261 10.837 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -6.242 -4.403 11.348 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -5.926 -3.322 12.727 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -7.020 -4.713 12.919 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -9.181 -5.086 9.314 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -8.050 -3.726 9.116 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -7.549 -5.175 10.019 1.00 0.00 H new ATOM 1408 N ALA B 29 -7.307 -0.326 13.362 1.00 0.00 N ATOM 1409 CA ALA B 29 -6.388 0.625 13.964 1.00 0.00 C ATOM 1410 C ALA B 29 -6.761 0.896 15.415 1.00 0.00 C ATOM 1411 O ALA B 29 -5.895 1.119 16.261 1.00 0.00 O ATOM 1412 CB ALA B 29 -6.387 1.918 13.160 1.00 0.00 C ATOM 0 H ALA B 29 -7.834 0.053 12.575 1.00 0.00 H new ATOM 0 HA ALA B 29 -5.385 0.199 13.952 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -5.697 2.629 13.615 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -6.073 1.710 12.137 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -7.391 2.342 13.152 1.00 0.00 H new ATOM 1418 N LYS B 30 -8.054 0.843 15.704 1.00 0.00 N ATOM 1419 CA LYS B 30 -8.546 1.098 17.047 1.00 0.00 C ATOM 1420 C LYS B 30 -8.400 -0.146 17.909 1.00 0.00 C ATOM 1421 O LYS B 30 -8.149 -0.048 19.111 1.00 0.00 O ATOM 1422 CB LYS B 30 -10.012 1.529 16.997 1.00 0.00 C ATOM 1423 CG LYS B 30 -10.238 2.795 16.183 1.00 0.00 C ATOM 1424 CD LYS B 30 -11.715 3.052 15.941 1.00 0.00 C ATOM 1425 CE LYS B 30 -11.934 4.336 15.156 1.00 0.00 C ATOM 1426 NZ LYS B 30 -13.363 4.535 14.795 1.00 0.00 N ATOM 0 H LYS B 30 -8.781 0.625 15.023 1.00 0.00 H new ATOM 0 HA LYS B 30 -7.955 1.901 17.487 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -10.607 0.721 16.572 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -10.372 1.689 18.013 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -9.802 3.646 16.706 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -9.722 2.709 15.227 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -12.147 2.213 15.396 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -12.236 3.114 16.896 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -11.588 5.185 15.746 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -11.331 4.313 14.248 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -13.466 5.422 14.261 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -13.687 3.739 14.210 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -13.936 4.584 15.661 1.00 0.00 H new ATOM 1440 N GLU B 31 -8.552 -1.308 17.284 1.00 0.00 N ATOM 1441 CA GLU B 31 -8.397 -2.583 17.977 1.00 0.00 C ATOM 1442 C GLU B 31 -6.980 -2.728 18.524 1.00 0.00 C ATOM 1443 O GLU B 31 -6.769 -2.982 19.710 1.00 0.00 O ATOM 1444 CB GLU B 31 -8.670 -3.762 17.031 1.00 0.00 C ATOM 1445 CG GLU B 31 -10.014 -3.718 16.325 1.00 0.00 C ATOM 1446 CD GLU B 31 -10.231 -4.921 15.418 1.00 0.00 C ATOM 1447 OE1 GLU B 31 -9.393 -5.164 14.519 1.00 0.00 O ATOM 1448 OE2 GLU B 31 -11.244 -5.630 15.597 1.00 0.00 O ATOM 0 H GLU B 31 -8.783 -1.394 16.294 1.00 0.00 H new ATOM 0 HA GLU B 31 -9.117 -2.595 18.795 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -7.882 -3.795 16.279 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -8.606 -4.689 17.601 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -10.811 -3.678 17.068 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -10.082 -2.804 15.735 1.00 0.00 H new ATOM 1455 N LYS B 32 -6.015 -2.559 17.632 1.00 0.00 N ATOM 1456 CA LYS B 32 -4.623 -2.879 17.915 1.00 0.00 C ATOM 1457 C LYS B 32 -3.812 -1.658 18.350 1.00 0.00 C ATOM 1458 O LYS B 32 -2.621 -1.774 18.644 1.00 0.00 O ATOM 1459 CB LYS B 32 -4.004 -3.546 16.687 1.00 0.00 C ATOM 1460 CG LYS B 32 -4.656 -4.881 16.368 1.00 0.00 C ATOM 1461 CD LYS B 32 -4.379 -5.332 14.945 1.00 0.00 C ATOM 1462 CE LYS B 32 -5.015 -6.687 14.659 1.00 0.00 C ATOM 1463 NZ LYS B 32 -6.465 -6.714 15.006 1.00 0.00 N ATOM 0 H LYS B 32 -6.174 -2.196 16.692 1.00 0.00 H new ATOM 0 HA LYS B 32 -4.599 -3.568 18.759 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -4.101 -2.882 15.828 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -2.938 -3.696 16.856 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -4.291 -5.637 17.064 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -5.733 -4.802 16.519 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -4.766 -4.591 14.245 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -3.303 -5.392 14.783 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -4.891 -6.929 13.603 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -4.493 -7.458 15.226 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -6.944 -7.442 14.439 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -6.576 -6.934 16.016 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -6.887 -5.785 14.805 1.00 0.00 H new ATOM 1477 N ASN B 33 -4.464 -0.492 18.368 1.00 0.00 N ATOM 1478 CA ASN B 33 -3.826 0.776 18.758 1.00 0.00 C ATOM 1479 C ASN B 33 -2.736 1.167 17.767 1.00 0.00 C ATOM 1480 O ASN B 33 -1.586 1.416 18.139 1.00 0.00 O ATOM 1481 CB ASN B 33 -3.247 0.708 20.178 1.00 0.00 C ATOM 1482 CG ASN B 33 -4.312 0.587 21.252 1.00 0.00 C ATOM 1483 OD1 ASN B 33 -4.870 1.588 21.703 1.00 0.00 O ATOM 1484 ND2 ASN B 33 -4.588 -0.634 21.685 1.00 0.00 N ATOM 0 H ASN B 33 -5.447 -0.397 18.114 1.00 0.00 H new ATOM 0 HA ASN B 33 -4.602 1.541 18.746 1.00 0.00 H new ATOM 0 HB2 ASN B 33 -2.571 -0.145 20.248 1.00 0.00 H new ATOM 0 HB3 ASN B 33 -2.652 1.602 20.364 1.00 0.00 H new ATOM 0 HD21 ASN B 33 -5.285 -0.770 22.418 1.00 0.00 H new ATOM 0 HD22 ASN B 33 -4.104 -1.438 21.286 1.00 0.00 H new ATOM 1491 N LEU B 34 -3.119 1.229 16.503 1.00 0.00 N ATOM 1492 CA LEU B 34 -2.208 1.543 15.411 1.00 0.00 C ATOM 1493 C LEU B 34 -2.856 2.570 14.490 1.00 0.00 C ATOM 1494 O LEU B 34 -4.034 2.875 14.633 1.00 0.00 O ATOM 1495 CB LEU B 34 -1.878 0.274 14.618 1.00 0.00 C ATOM 1496 CG LEU B 34 -1.201 -0.847 15.412 1.00 0.00 C ATOM 1497 CD1 LEU B 34 -1.074 -2.098 14.556 1.00 0.00 C ATOM 1498 CD2 LEU B 34 0.167 -0.400 15.909 1.00 0.00 C ATOM 0 H LEU B 34 -4.079 1.062 16.201 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.285 1.952 15.822 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.802 -0.115 14.190 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.230 0.546 13.785 1.00 0.00 H new ATOM 0 HG LEU B 34 -1.820 -1.080 16.278 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -0.591 -2.886 15.133 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.065 -2.430 14.247 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -0.475 -1.876 13.673 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.632 -1.210 16.471 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.796 -0.140 15.058 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.053 0.471 16.555 1.00 0.00 H new ATOM 1510 N THR B 35 -2.080 3.148 13.593 1.00 0.00 N ATOM 1511 CA THR B 35 -2.645 3.987 12.551 1.00 0.00 C ATOM 1512 C THR B 35 -2.561 3.278 11.207 1.00 0.00 C ATOM 1513 O THR B 35 -1.852 2.284 11.079 1.00 0.00 O ATOM 1514 CB THR B 35 -1.922 5.340 12.438 1.00 0.00 C ATOM 1515 OG1 THR B 35 -0.548 5.133 12.087 1.00 0.00 O ATOM 1516 CG2 THR B 35 -2.014 6.115 13.740 1.00 0.00 C ATOM 0 H THR B 35 -1.065 3.054 13.563 1.00 0.00 H new ATOM 0 HA THR B 35 -3.684 4.173 12.823 1.00 0.00 H new ATOM 0 HB THR B 35 -2.409 5.924 11.657 1.00 0.00 H new ATOM 0 HG1 THR B 35 -0.038 4.894 12.889 1.00 0.00 H new ATOM 0 HG21 THR B 35 -1.495 7.068 13.634 1.00 0.00 H new ATOM 0 HG22 THR B 35 -3.061 6.297 13.982 1.00 0.00 H new ATOM 0 HG23 THR B 35 -1.552 5.537 14.541 1.00 0.00 H new ATOM 1524 N LEU B 36 -3.282 3.775 10.217 1.00 0.00 N ATOM 1525 CA LEU B 36 -3.163 3.266 8.852 1.00 0.00 C ATOM 1526 C LEU B 36 -1.722 3.374 8.372 1.00 0.00 C ATOM 1527 O LEU B 36 -1.227 2.504 7.654 1.00 0.00 O ATOM 1528 CB LEU B 36 -4.121 4.012 7.904 1.00 0.00 C ATOM 1529 CG LEU B 36 -3.869 5.517 7.695 1.00 0.00 C ATOM 1530 CD1 LEU B 36 -4.755 6.033 6.578 1.00 0.00 C ATOM 1531 CD2 LEU B 36 -4.137 6.322 8.963 1.00 0.00 C ATOM 0 H LEU B 36 -3.958 4.531 10.328 1.00 0.00 H new ATOM 0 HA LEU B 36 -3.446 2.213 8.848 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.082 3.524 6.930 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -5.136 3.888 8.282 1.00 0.00 H new ATOM 0 HG LEU B 36 -2.818 5.641 7.433 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -4.574 7.098 6.433 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.528 5.497 5.656 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -5.801 5.875 6.841 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.947 7.378 8.771 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -5.176 6.190 9.265 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -3.480 5.974 9.760 1.00 0.00 H new ATOM 1543 N SER B 37 -1.048 4.435 8.790 1.00 0.00 N ATOM 1544 CA SER B 37 0.373 4.586 8.537 1.00 0.00 C ATOM 1545 C SER B 37 1.147 3.417 9.148 1.00 0.00 C ATOM 1546 O SER B 37 1.982 2.801 8.489 1.00 0.00 O ATOM 1547 CB SER B 37 0.859 5.912 9.118 1.00 0.00 C ATOM 1548 OG SER B 37 0.022 6.983 8.702 1.00 0.00 O ATOM 0 H SER B 37 -1.467 5.207 9.309 1.00 0.00 H new ATOM 0 HA SER B 37 0.548 4.586 7.461 1.00 0.00 H new ATOM 0 HB2 SER B 37 0.870 5.855 10.206 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.884 6.100 8.798 1.00 0.00 H new ATOM 0 HG SER B 37 0.576 7.730 8.392 1.00 0.00 H new ATOM 1554 N ASP B 38 0.836 3.100 10.401 1.00 0.00 N ATOM 1555 CA ASP B 38 1.484 1.987 11.093 1.00 0.00 C ATOM 1556 C ASP B 38 1.173 0.675 10.395 1.00 0.00 C ATOM 1557 O ASP B 38 2.077 -0.094 10.091 1.00 0.00 O ATOM 1558 CB ASP B 38 1.035 1.891 12.554 1.00 0.00 C ATOM 1559 CG ASP B 38 1.568 3.016 13.416 1.00 0.00 C ATOM 1560 OD1 ASP B 38 2.793 3.056 13.658 1.00 0.00 O ATOM 1561 OD2 ASP B 38 0.765 3.855 13.868 1.00 0.00 O ATOM 0 H ASP B 38 0.141 3.596 10.959 1.00 0.00 H new ATOM 0 HA ASP B 38 2.557 2.176 11.069 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -0.054 1.896 12.594 1.00 0.00 H new ATOM 0 HB3 ASP B 38 1.365 0.938 12.967 1.00 0.00 H new ATOM 1566 N VAL B 39 -0.101 0.443 10.113 1.00 0.00 N ATOM 1567 CA VAL B 39 -0.537 -0.812 9.512 1.00 0.00 C ATOM 1568 C VAL B 39 0.099 -1.015 8.139 1.00 0.00 C ATOM 1569 O VAL B 39 0.467 -2.129 7.788 1.00 0.00 O ATOM 1570 CB VAL B 39 -2.078 -0.876 9.381 1.00 0.00 C ATOM 1571 CG1 VAL B 39 -2.517 -2.178 8.722 1.00 0.00 C ATOM 1572 CG2 VAL B 39 -2.735 -0.722 10.744 1.00 0.00 C ATOM 0 H VAL B 39 -0.853 1.108 10.291 1.00 0.00 H new ATOM 0 HA VAL B 39 -0.211 -1.611 10.178 1.00 0.00 H new ATOM 0 HB VAL B 39 -2.398 -0.050 8.745 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -3.604 -2.197 8.642 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -2.079 -2.248 7.726 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -2.183 -3.022 9.325 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -3.818 -0.769 10.633 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -2.402 -1.525 11.401 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -2.456 0.239 11.176 1.00 0.00 H new ATOM 1582 N CYS B 40 0.264 0.067 7.387 1.00 0.00 N ATOM 1583 CA CYS B 40 0.824 -0.014 6.042 1.00 0.00 C ATOM 1584 C CYS B 40 2.285 -0.498 6.092 1.00 0.00 C ATOM 1585 O CYS B 40 2.650 -1.478 5.436 1.00 0.00 O ATOM 1586 CB CYS B 40 0.710 1.357 5.345 1.00 0.00 C ATOM 1587 SG CYS B 40 0.478 1.270 3.557 1.00 0.00 S ATOM 0 H CYS B 40 0.018 1.011 7.685 1.00 0.00 H new ATOM 0 HA CYS B 40 0.257 -0.742 5.462 1.00 0.00 H new ATOM 0 HB2 CYS B 40 -0.126 1.904 5.781 1.00 0.00 H new ATOM 0 HB3 CYS B 40 1.611 1.933 5.554 1.00 0.00 H new ATOM 0 HG CYS B 40 0.392 2.473 3.071 1.00 0.00 H new ATOM 1593 N ARG B 41 3.112 0.178 6.885 1.00 0.00 N ATOM 1594 CA ARG B 41 4.509 -0.213 7.057 1.00 0.00 C ATOM 1595 C ARG B 41 4.660 -1.550 7.794 1.00 0.00 C ATOM 1596 O ARG B 41 5.557 -2.328 7.489 1.00 0.00 O ATOM 1597 CB ARG B 41 5.301 0.902 7.754 1.00 0.00 C ATOM 1598 CG ARG B 41 4.732 1.381 9.079 1.00 0.00 C ATOM 1599 CD ARG B 41 5.323 0.635 10.263 1.00 0.00 C ATOM 1600 NE ARG B 41 4.887 1.222 11.532 1.00 0.00 N ATOM 1601 CZ ARG B 41 5.570 1.150 12.677 1.00 0.00 C ATOM 1602 NH1 ARG B 41 6.721 0.498 12.740 1.00 0.00 N ATOM 1603 NH2 ARG B 41 5.092 1.733 13.768 1.00 0.00 N ATOM 0 H ARG B 41 2.838 1.002 7.420 1.00 0.00 H new ATOM 0 HA ARG B 41 4.926 -0.362 6.061 1.00 0.00 H new ATOM 0 HB2 ARG B 41 6.319 0.550 7.922 1.00 0.00 H new ATOM 0 HB3 ARG B 41 5.366 1.754 7.078 1.00 0.00 H new ATOM 0 HG2 ARG B 41 4.926 2.448 9.191 1.00 0.00 H new ATOM 0 HG3 ARG B 41 3.650 1.253 9.075 1.00 0.00 H new ATOM 0 HD2 ARG B 41 5.024 -0.412 10.222 1.00 0.00 H new ATOM 0 HD3 ARG B 41 6.411 0.658 10.204 1.00 0.00 H new ATOM 0 HE ARG B 41 3.998 1.722 11.542 1.00 0.00 H new ATOM 0 HH11 ARG B 41 7.096 0.043 11.907 1.00 0.00 H new ATOM 0 HH12 ARG B 41 7.233 0.451 13.621 1.00 0.00 H new ATOM 0 HH21 ARG B 41 4.205 2.235 13.731 1.00 0.00 H new ATOM 0 HH22 ARG B 41 5.612 1.680 14.644 1.00 0.00 H new ATOM 1617 N LEU B 42 3.792 -1.830 8.756 1.00 0.00 N ATOM 1618 CA LEU B 42 3.849 -3.111 9.454 1.00 0.00 C ATOM 1619 C LEU B 42 3.426 -4.230 8.516 1.00 0.00 C ATOM 1620 O LEU B 42 3.808 -5.390 8.685 1.00 0.00 O ATOM 1621 CB LEU B 42 2.962 -3.099 10.698 1.00 0.00 C ATOM 1622 CG LEU B 42 3.400 -2.127 11.793 1.00 0.00 C ATOM 1623 CD1 LEU B 42 2.410 -2.142 12.949 1.00 0.00 C ATOM 1624 CD2 LEU B 42 4.795 -2.473 12.287 1.00 0.00 C ATOM 0 H LEU B 42 3.052 -1.202 9.068 1.00 0.00 H new ATOM 0 HA LEU B 42 4.876 -3.282 9.775 1.00 0.00 H new ATOM 0 HB2 LEU B 42 1.944 -2.850 10.398 1.00 0.00 H new ATOM 0 HB3 LEU B 42 2.934 -4.105 11.116 1.00 0.00 H new ATOM 0 HG LEU B 42 3.422 -1.123 11.370 1.00 0.00 H new ATOM 0 HD11 LEU B 42 2.739 -1.444 13.719 1.00 0.00 H new ATOM 0 HD12 LEU B 42 1.425 -1.847 12.588 1.00 0.00 H new ATOM 0 HD13 LEU B 42 2.356 -3.146 13.369 1.00 0.00 H new ATOM 0 HD21 LEU B 42 5.090 -1.770 13.066 1.00 0.00 H new ATOM 0 HD22 LEU B 42 4.797 -3.485 12.692 1.00 0.00 H new ATOM 0 HD23 LEU B 42 5.500 -2.412 11.458 1.00 0.00 H new ATOM 1636 N ALA B 43 2.653 -3.863 7.509 1.00 0.00 N ATOM 1637 CA ALA B 43 2.183 -4.812 6.530 1.00 0.00 C ATOM 1638 C ALA B 43 3.309 -5.241 5.602 1.00 0.00 C ATOM 1639 O ALA B 43 3.389 -6.407 5.231 1.00 0.00 O ATOM 1640 CB ALA B 43 1.030 -4.228 5.737 1.00 0.00 C ATOM 0 H ALA B 43 2.339 -2.905 7.352 1.00 0.00 H new ATOM 0 HA ALA B 43 1.827 -5.697 7.058 1.00 0.00 H new ATOM 0 HB1 ALA B 43 0.687 -4.957 5.003 1.00 0.00 H new ATOM 0 HB2 ALA B 43 0.211 -3.982 6.413 1.00 0.00 H new ATOM 0 HB3 ALA B 43 1.361 -3.325 5.224 1.00 0.00 H new ATOM 1646 N ILE B 44 4.183 -4.308 5.213 1.00 0.00 N ATOM 1647 CA ILE B 44 5.315 -4.675 4.366 1.00 0.00 C ATOM 1648 C ILE B 44 6.308 -5.499 5.150 1.00 0.00 C ATOM 1649 O ILE B 44 7.014 -6.324 4.586 1.00 0.00 O ATOM 1650 CB ILE B 44 6.041 -3.480 3.710 1.00 0.00 C ATOM 1651 CG1 ILE B 44 6.561 -2.491 4.747 1.00 0.00 C ATOM 1652 CG2 ILE B 44 5.125 -2.786 2.732 1.00 0.00 C ATOM 1653 CD1 ILE B 44 7.225 -1.276 4.132 1.00 0.00 C ATOM 0 H ILE B 44 4.130 -3.321 5.464 1.00 0.00 H new ATOM 0 HA ILE B 44 4.887 -5.256 3.549 1.00 0.00 H new ATOM 0 HB ILE B 44 6.905 -3.873 3.174 1.00 0.00 H new ATOM 0 HG12 ILE B 44 5.733 -2.165 5.376 1.00 0.00 H new ATOM 0 HG13 ILE B 44 7.275 -2.997 5.397 1.00 0.00 H new ATOM 0 HG21 ILE B 44 5.649 -1.946 2.277 1.00 0.00 H new ATOM 0 HG22 ILE B 44 4.822 -3.489 1.956 1.00 0.00 H new ATOM 0 HG23 ILE B 44 4.242 -2.422 3.256 1.00 0.00 H new ATOM 0 HD11 ILE B 44 7.573 -0.612 4.923 1.00 0.00 H new ATOM 0 HD12 ILE B 44 8.073 -1.593 3.525 1.00 0.00 H new ATOM 0 HD13 ILE B 44 6.507 -0.748 3.504 1.00 0.00 H new ATOM 1665 N LYS B 45 6.357 -5.276 6.455 1.00 0.00 N ATOM 1666 CA LYS B 45 7.151 -6.115 7.331 1.00 0.00 C ATOM 1667 C LYS B 45 6.675 -7.566 7.224 1.00 0.00 C ATOM 1668 O LYS B 45 7.475 -8.502 7.175 1.00 0.00 O ATOM 1669 CB LYS B 45 7.057 -5.619 8.775 1.00 0.00 C ATOM 1670 CG LYS B 45 7.802 -6.484 9.777 1.00 0.00 C ATOM 1671 CD LYS B 45 7.808 -5.855 11.157 1.00 0.00 C ATOM 1672 CE LYS B 45 8.453 -6.769 12.186 1.00 0.00 C ATOM 1673 NZ LYS B 45 9.814 -7.203 11.777 1.00 0.00 N ATOM 0 H LYS B 45 5.857 -4.523 6.927 1.00 0.00 H new ATOM 0 HA LYS B 45 8.196 -6.064 7.025 1.00 0.00 H new ATOM 0 HB2 LYS B 45 7.449 -4.603 8.825 1.00 0.00 H new ATOM 0 HB3 LYS B 45 6.007 -5.570 9.063 1.00 0.00 H new ATOM 0 HG2 LYS B 45 7.337 -7.468 9.827 1.00 0.00 H new ATOM 0 HG3 LYS B 45 8.828 -6.633 9.439 1.00 0.00 H new ATOM 0 HD2 LYS B 45 8.346 -4.908 11.123 1.00 0.00 H new ATOM 0 HD3 LYS B 45 6.785 -5.630 11.459 1.00 0.00 H new ATOM 0 HE2 LYS B 45 8.511 -6.251 13.143 1.00 0.00 H new ATOM 0 HE3 LYS B 45 7.823 -7.646 12.336 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 10.293 -7.651 12.584 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 9.741 -7.886 10.996 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 10.362 -6.377 11.464 1.00 0.00 H new ATOM 1687 N GLU B 46 5.358 -7.726 7.160 1.00 0.00 N ATOM 1688 CA GLU B 46 4.731 -9.027 6.990 1.00 0.00 C ATOM 1689 C GLU B 46 4.970 -9.532 5.570 1.00 0.00 C ATOM 1690 O GLU B 46 5.221 -10.715 5.341 1.00 0.00 O ATOM 1691 CB GLU B 46 3.229 -8.893 7.258 1.00 0.00 C ATOM 1692 CG GLU B 46 2.443 -10.188 7.146 1.00 0.00 C ATOM 1693 CD GLU B 46 2.671 -11.110 8.318 1.00 0.00 C ATOM 1694 OE1 GLU B 46 2.555 -10.653 9.472 1.00 0.00 O ATOM 1695 OE2 GLU B 46 2.928 -12.311 8.094 1.00 0.00 O ATOM 0 H GLU B 46 4.695 -6.953 7.225 1.00 0.00 H new ATOM 0 HA GLU B 46 5.162 -9.742 7.691 1.00 0.00 H new ATOM 0 HB2 GLU B 46 3.088 -8.484 8.259 1.00 0.00 H new ATOM 0 HB3 GLU B 46 2.812 -8.170 6.557 1.00 0.00 H new ATOM 0 HG2 GLU B 46 1.380 -9.958 7.071 1.00 0.00 H new ATOM 0 HG3 GLU B 46 2.724 -10.700 6.226 1.00 0.00 H new ATOM 1702 N TYR B 47 4.910 -8.605 4.624 1.00 0.00 N ATOM 1703 CA TYR B 47 5.077 -8.921 3.217 1.00 0.00 C ATOM 1704 C TYR B 47 6.482 -9.456 2.961 1.00 0.00 C ATOM 1705 O TYR B 47 6.668 -10.423 2.216 1.00 0.00 O ATOM 1706 CB TYR B 47 4.814 -7.669 2.367 1.00 0.00 C ATOM 1707 CG TYR B 47 4.749 -7.917 0.872 1.00 0.00 C ATOM 1708 CD1 TYR B 47 5.896 -7.891 0.087 1.00 0.00 C ATOM 1709 CD2 TYR B 47 3.533 -8.172 0.246 1.00 0.00 C ATOM 1710 CE1 TYR B 47 5.833 -8.113 -1.276 1.00 0.00 C ATOM 1711 CE2 TYR B 47 3.464 -8.395 -1.115 1.00 0.00 C ATOM 1712 CZ TYR B 47 4.614 -8.365 -1.871 1.00 0.00 C ATOM 1713 OH TYR B 47 4.548 -8.592 -3.228 1.00 0.00 O ATOM 0 H TYR B 47 4.745 -7.616 4.812 1.00 0.00 H new ATOM 0 HA TYR B 47 4.359 -9.692 2.937 1.00 0.00 H new ATOM 0 HB2 TYR B 47 3.874 -7.220 2.688 1.00 0.00 H new ATOM 0 HB3 TYR B 47 5.600 -6.940 2.566 1.00 0.00 H new ATOM 0 HD1 TYR B 47 6.852 -7.694 0.550 1.00 0.00 H new ATOM 0 HD2 TYR B 47 2.628 -8.196 0.834 1.00 0.00 H new ATOM 0 HE1 TYR B 47 6.733 -8.089 -1.872 1.00 0.00 H new ATOM 0 HE2 TYR B 47 2.512 -8.592 -1.584 1.00 0.00 H new ATOM 0 HH TYR B 47 3.617 -8.754 -3.488 1.00 0.00 H new ATOM 1723 N LEU B 48 7.464 -8.830 3.599 1.00 0.00 N ATOM 1724 CA LEU B 48 8.852 -9.239 3.462 1.00 0.00 C ATOM 1725 C LEU B 48 9.072 -10.609 4.078 1.00 0.00 C ATOM 1726 O LEU B 48 9.817 -11.410 3.544 1.00 0.00 O ATOM 1727 CB LEU B 48 9.793 -8.221 4.113 1.00 0.00 C ATOM 1728 CG LEU B 48 9.746 -6.809 3.523 1.00 0.00 C ATOM 1729 CD1 LEU B 48 10.764 -5.910 4.210 1.00 0.00 C ATOM 1730 CD2 LEU B 48 9.988 -6.847 2.021 1.00 0.00 C ATOM 0 H LEU B 48 7.321 -8.033 4.219 1.00 0.00 H new ATOM 0 HA LEU B 48 9.077 -9.289 2.397 1.00 0.00 H new ATOM 0 HB2 LEU B 48 9.556 -8.160 5.175 1.00 0.00 H new ATOM 0 HB3 LEU B 48 10.814 -8.595 4.035 1.00 0.00 H new ATOM 0 HG LEU B 48 8.752 -6.396 3.697 1.00 0.00 H new ATOM 0 HD11 LEU B 48 10.717 -4.910 3.778 1.00 0.00 H new ATOM 0 HD12 LEU B 48 10.541 -5.856 5.276 1.00 0.00 H new ATOM 0 HD13 LEU B 48 11.764 -6.319 4.069 1.00 0.00 H new ATOM 0 HD21 LEU B 48 9.951 -5.834 1.621 1.00 0.00 H new ATOM 0 HD22 LEU B 48 10.968 -7.280 1.821 1.00 0.00 H new ATOM 0 HD23 LEU B 48 9.219 -7.454 1.544 1.00 0.00 H new ATOM 1742 N ASP B 49 8.426 -10.872 5.202 1.00 0.00 N ATOM 1743 CA ASP B 49 8.561 -12.165 5.867 1.00 0.00 C ATOM 1744 C ASP B 49 8.042 -13.309 4.993 1.00 0.00 C ATOM 1745 O ASP B 49 8.702 -14.337 4.847 1.00 0.00 O ATOM 1746 CB ASP B 49 7.827 -12.168 7.207 1.00 0.00 C ATOM 1747 CG ASP B 49 7.965 -13.496 7.928 1.00 0.00 C ATOM 1748 OD1 ASP B 49 9.024 -13.735 8.548 1.00 0.00 O ATOM 1749 OD2 ASP B 49 7.018 -14.309 7.879 1.00 0.00 O ATOM 0 H ASP B 49 7.806 -10.214 5.674 1.00 0.00 H new ATOM 0 HA ASP B 49 9.625 -12.324 6.041 1.00 0.00 H new ATOM 0 HB2 ASP B 49 8.220 -11.371 7.838 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.771 -11.953 7.042 1.00 0.00 H new ATOM 1754 N ASN B 50 6.862 -13.125 4.409 1.00 0.00 N ATOM 1755 CA ASN B 50 6.207 -14.190 3.642 1.00 0.00 C ATOM 1756 C ASN B 50 6.814 -14.366 2.252 1.00 0.00 C ATOM 1757 O ASN B 50 6.987 -15.491 1.786 1.00 0.00 O ATOM 1758 CB ASN B 50 4.705 -13.917 3.518 1.00 0.00 C ATOM 1759 CG ASN B 50 3.970 -14.108 4.830 1.00 0.00 C ATOM 1760 OD1 ASN B 50 3.477 -15.196 5.125 1.00 0.00 O ATOM 1761 ND2 ASN B 50 3.898 -13.053 5.624 1.00 0.00 N ATOM 0 H ASN B 50 6.337 -12.251 4.450 1.00 0.00 H new ATOM 0 HA ASN B 50 6.367 -15.117 4.192 1.00 0.00 H new ATOM 0 HB2 ASN B 50 4.552 -12.897 3.165 1.00 0.00 H new ATOM 0 HB3 ASN B 50 4.279 -14.582 2.766 1.00 0.00 H new ATOM 0 HD21 ASN B 50 3.419 -13.122 6.522 1.00 0.00 H new ATOM 0 HD22 ASN B 50 4.322 -12.170 5.339 1.00 0.00 H new ATOM 1768 N HIS B 51 7.145 -13.267 1.591 1.00 0.00 N ATOM 1769 CA HIS B 51 7.699 -13.340 0.239 1.00 0.00 C ATOM 1770 C HIS B 51 9.216 -13.447 0.321 1.00 0.00 C ATOM 1771 O HIS B 51 9.788 -14.466 -0.061 1.00 0.00 O ATOM 1772 CB HIS B 51 7.276 -12.120 -0.593 1.00 0.00 C ATOM 1773 CG HIS B 51 5.796 -12.041 -0.836 1.00 0.00 C ATOM 1774 ND1 HIS B 51 5.219 -12.269 -2.066 1.00 0.00 N ATOM 1775 CD2 HIS B 51 4.773 -11.748 0.003 1.00 0.00 C ATOM 1776 CE1 HIS B 51 3.910 -12.121 -1.972 1.00 0.00 C ATOM 1777 NE2 HIS B 51 3.611 -11.806 -0.726 1.00 0.00 N ATOM 0 H HIS B 51 7.043 -12.322 1.960 1.00 0.00 H new ATOM 0 HA HIS B 51 7.307 -14.226 -0.261 1.00 0.00 H new ATOM 0 HB2 HIS B 51 7.601 -11.213 -0.083 1.00 0.00 H new ATOM 0 HB3 HIS B 51 7.792 -12.149 -1.553 1.00 0.00 H new ATOM 0 HD2 HIS B 51 4.857 -11.512 1.054 1.00 0.00 H new ATOM 0 HE1 HIS B 51 3.203 -12.238 -2.780 1.00 0.00 H new ATOM 0 HE2 HIS B 51 2.673 -11.634 -0.365 1.00 0.00 H new