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 Set 1.1: A 40 CYS SG : rot -62:sc= -13.4! USER MOD Set 1.2: B 40 CYS SG : rot -119:sc= -8.57! USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= -0.0082 (180deg=-0.14) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.17 USER MOD Single : A 19 GLN : amide:sc= -0.71 X(o=-0.71,f=-0.24) USER MOD Single : A 22 HIS : no HD1:sc= -4.51! C(o=-4.5!,f=-3.4!) USER MOD Single : A 26 MET CE :methyl -116:sc= -3.73! (180deg=-5.22!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -173:sc= 1.12 (180deg=0.803) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -76:sc= 1.27 USER MOD Single : A 37 SER OG : rot -157:sc= 1.18 USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= -0.0492 (180deg=-0.376) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 12 LYS NZ :NH3+ 155:sc= -0.104 (180deg=-0.516) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= 1.18 K(o=1.2,f=-0.15) USER MOD Single : B 22 HIS : no HE2:sc= -2.95 K(o=-2.9,f=-5.8!) USER MOD Single : B 26 MET CE :methyl -177:sc= -1.01 (180deg=-1.13) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ -156:sc= 1.22 (180deg=1.04) USER MOD Single : B 33 ASN : amide:sc= -0.0903 K(o=-0.09,f=-1.3!) USER MOD Single : B 35 THR OG1 : rot -74:sc= 1.22 USER MOD Single : B 37 SER OG : rot 180:sc= -0.024 USER MOD Single : B 45 LYS NZ :NH3+ -141:sc= 0.82 (180deg=-0.126) USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 50 ASN : amide:sc= -1.91 K(o=-1.9,f=-0.16) USER MOD Single : B 51 HIS : no HD1:sc= 0.841 K(o=0.84,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 150 N ILE A 11 -7.740 8.344 -0.752 1.00 0.00 N ATOM 151 CA ILE A 11 -7.530 9.096 0.479 1.00 0.00 C ATOM 152 C ILE A 11 -6.048 9.074 0.824 1.00 0.00 C ATOM 153 O ILE A 11 -5.396 8.036 0.680 1.00 0.00 O ATOM 154 CB ILE A 11 -8.343 8.512 1.666 1.00 0.00 C ATOM 155 CG1 ILE A 11 -9.822 8.333 1.298 1.00 0.00 C ATOM 156 CG2 ILE A 11 -8.214 9.405 2.895 1.00 0.00 C ATOM 157 CD1 ILE A 11 -10.563 9.633 1.065 1.00 0.00 C ATOM 0 HA ILE A 11 -7.875 10.117 0.314 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.930 7.530 1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.890 7.722 0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.320 7.782 2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.791 8.979 3.716 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.166 9.475 3.186 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.593 10.400 2.663 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.601 9.419 0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.529 10.238 1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.093 10.178 0.246 1.00 0.00 H new ATOM 169 N LYS A 12 -5.521 10.196 1.298 1.00 0.00 N ATOM 170 CA LYS A 12 -4.084 10.331 1.484 1.00 0.00 C ATOM 171 C LYS A 12 -3.707 10.126 2.938 1.00 0.00 C ATOM 172 O LYS A 12 -4.299 10.716 3.842 1.00 0.00 O ATOM 173 CB LYS A 12 -3.605 11.712 1.016 1.00 0.00 C ATOM 174 CG LYS A 12 -2.113 11.959 1.224 1.00 0.00 C ATOM 175 CD LYS A 12 -1.252 11.004 0.407 1.00 0.00 C ATOM 176 CE LYS A 12 -1.428 11.215 -1.091 1.00 0.00 C ATOM 177 NZ LYS A 12 -0.989 12.567 -1.532 1.00 0.00 N ATOM 0 H LYS A 12 -6.063 11.020 1.559 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.597 9.564 0.883 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.837 11.825 -0.043 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.167 12.479 1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.875 12.986 0.948 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.872 11.848 2.281 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.204 11.144 0.672 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.510 9.976 0.661 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.859 10.458 -1.631 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.476 11.073 -1.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.968 12.604 -2.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.654 13.282 -1.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.038 12.762 -1.160 1.00 0.00 H new ATOM 191 N LEU A 13 -2.725 9.270 3.142 1.00 0.00 N ATOM 192 CA LEU A 13 -2.215 8.973 4.464 1.00 0.00 C ATOM 193 C LEU A 13 -0.720 9.239 4.503 1.00 0.00 C ATOM 194 O LEU A 13 0.001 8.925 3.550 1.00 0.00 O ATOM 195 CB LEU A 13 -2.512 7.516 4.849 1.00 0.00 C ATOM 196 CG LEU A 13 -2.323 6.478 3.732 1.00 0.00 C ATOM 197 CD1 LEU A 13 -1.987 5.113 4.317 1.00 0.00 C ATOM 198 CD2 LEU A 13 -3.581 6.377 2.876 1.00 0.00 C ATOM 0 H LEU A 13 -2.258 8.760 2.393 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.713 9.619 5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.869 7.243 5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.541 7.456 5.205 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.494 6.805 3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.857 4.393 3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.065 5.181 4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.798 4.786 4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.428 5.637 2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.422 6.075 3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.793 7.346 2.425 1.00 0.00 H new ATOM 210 N GLY A 14 -0.263 9.823 5.596 1.00 0.00 N ATOM 211 CA GLY A 14 1.127 10.192 5.706 1.00 0.00 C ATOM 212 C GLY A 14 1.897 9.216 6.559 1.00 0.00 C ATOM 213 O GLY A 14 1.781 9.221 7.784 1.00 0.00 O ATOM 0 H GLY A 14 -0.833 10.048 6.411 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.572 10.236 4.712 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.206 11.191 6.135 1.00 0.00 H new ATOM 217 N VAL A 15 2.687 8.376 5.910 1.00 0.00 N ATOM 218 CA VAL A 15 3.427 7.334 6.601 1.00 0.00 C ATOM 219 C VAL A 15 4.898 7.723 6.715 1.00 0.00 C ATOM 220 O VAL A 15 5.381 8.568 5.956 1.00 0.00 O ATOM 221 CB VAL A 15 3.301 5.981 5.855 1.00 0.00 C ATOM 222 CG1 VAL A 15 3.832 4.832 6.698 1.00 0.00 C ATOM 223 CG2 VAL A 15 1.858 5.723 5.451 1.00 0.00 C ATOM 0 H VAL A 15 2.832 8.396 4.901 1.00 0.00 H new ATOM 0 HA VAL A 15 3.004 7.222 7.599 1.00 0.00 H new ATOM 0 HB VAL A 15 3.909 6.042 4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.729 3.898 6.146 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.884 5.004 6.927 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.264 4.769 7.626 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.791 4.769 4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.230 5.694 6.342 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.516 6.521 4.792 1.00 0.00 H new ATOM 233 N TYR A 16 5.595 7.125 7.674 1.00 0.00 N ATOM 234 CA TYR A 16 7.024 7.335 7.843 1.00 0.00 C ATOM 235 C TYR A 16 7.734 6.007 8.013 1.00 0.00 C ATOM 236 O TYR A 16 7.283 5.144 8.767 1.00 0.00 O ATOM 237 CB TYR A 16 7.314 8.236 9.043 1.00 0.00 C ATOM 238 CG TYR A 16 7.395 9.694 8.675 1.00 0.00 C ATOM 239 CD1 TYR A 16 6.249 10.445 8.474 1.00 0.00 C ATOM 240 CD2 TYR A 16 8.624 10.308 8.497 1.00 0.00 C ATOM 241 CE1 TYR A 16 6.327 11.770 8.108 1.00 0.00 C ATOM 242 CE2 TYR A 16 8.712 11.632 8.125 1.00 0.00 C ATOM 243 CZ TYR A 16 7.561 12.361 7.934 1.00 0.00 C ATOM 244 OH TYR A 16 7.645 13.681 7.551 1.00 0.00 O ATOM 0 H TYR A 16 5.185 6.483 8.353 1.00 0.00 H new ATOM 0 HA TYR A 16 7.396 7.830 6.946 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.534 8.098 9.791 1.00 0.00 H new ATOM 0 HB3 TYR A 16 8.254 7.930 9.502 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.281 9.985 8.606 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.529 9.739 8.652 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.425 12.345 7.958 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.678 12.094 7.984 1.00 0.00 H new ATOM 0 HH TYR A 16 8.587 13.940 7.475 1.00 0.00 H new ATOM 254 N ILE A 17 8.833 5.839 7.295 1.00 0.00 N ATOM 255 CA ILE A 17 9.580 4.594 7.331 1.00 0.00 C ATOM 256 C ILE A 17 11.077 4.870 7.422 1.00 0.00 C ATOM 257 O ILE A 17 11.549 5.916 6.961 1.00 0.00 O ATOM 258 CB ILE A 17 9.287 3.718 6.088 1.00 0.00 C ATOM 259 CG1 ILE A 17 9.734 4.422 4.807 1.00 0.00 C ATOM 260 CG2 ILE A 17 7.803 3.370 6.013 1.00 0.00 C ATOM 261 CD1 ILE A 17 9.511 3.595 3.562 1.00 0.00 C ATOM 0 H ILE A 17 9.227 6.551 6.680 1.00 0.00 H new ATOM 0 HA ILE A 17 9.259 4.048 8.218 1.00 0.00 H new ATOM 0 HB ILE A 17 9.856 2.793 6.186 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.194 5.364 4.711 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.793 4.668 4.886 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.618 2.754 5.133 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.513 2.820 6.908 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.217 4.287 5.944 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.850 4.153 2.689 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.073 2.664 3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.449 3.371 3.460 1.00 0.00 H new ATOM 273 N PRO A 18 11.829 3.949 8.055 1.00 0.00 N ATOM 274 CA PRO A 18 13.288 4.039 8.173 1.00 0.00 C ATOM 275 C PRO A 18 13.981 4.265 6.835 1.00 0.00 C ATOM 276 O PRO A 18 13.520 3.781 5.795 1.00 0.00 O ATOM 277 CB PRO A 18 13.687 2.680 8.754 1.00 0.00 C ATOM 278 CG PRO A 18 12.484 2.221 9.496 1.00 0.00 C ATOM 279 CD PRO A 18 11.302 2.752 8.736 1.00 0.00 C ATOM 0 HA PRO A 18 13.585 4.889 8.788 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.959 1.977 7.967 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.550 2.769 9.414 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.453 1.133 9.555 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.490 2.596 10.520 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.924 2.020 8.022 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.477 3.002 9.403 1.00 0.00 H new ATOM 287 N GLN A 19 15.089 4.988 6.871 1.00 0.00 N ATOM 288 CA GLN A 19 15.800 5.381 5.661 1.00 0.00 C ATOM 289 C GLN A 19 16.205 4.155 4.842 1.00 0.00 C ATOM 290 O GLN A 19 15.827 4.034 3.676 1.00 0.00 O ATOM 291 CB GLN A 19 17.030 6.218 6.035 1.00 0.00 C ATOM 292 CG GLN A 19 17.512 7.164 4.942 1.00 0.00 C ATOM 293 CD GLN A 19 18.235 6.476 3.798 1.00 0.00 C ATOM 294 OE1 GLN A 19 19.444 6.263 3.857 1.00 0.00 O ATOM 295 NE2 GLN A 19 17.510 6.156 2.739 1.00 0.00 N ATOM 0 H GLN A 19 15.520 5.318 7.734 1.00 0.00 H new ATOM 0 HA GLN A 19 15.135 5.985 5.043 1.00 0.00 H new ATOM 0 HB2 GLN A 19 16.798 6.802 6.926 1.00 0.00 H new ATOM 0 HB3 GLN A 19 17.845 5.544 6.299 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.655 7.706 4.542 1.00 0.00 H new ATOM 0 HG3 GLN A 19 18.178 7.904 5.385 1.00 0.00 H new ATOM 0 HE21 GLN A 19 16.509 6.349 2.729 1.00 0.00 H new ATOM 0 HE22 GLN A 19 17.952 5.716 1.932 1.00 0.00 H new ATOM 304 N GLU A 20 16.942 3.240 5.465 1.00 0.00 N ATOM 305 CA GLU A 20 17.447 2.048 4.780 1.00 0.00 C ATOM 306 C GLU A 20 16.319 1.201 4.186 1.00 0.00 C ATOM 307 O GLU A 20 16.504 0.535 3.168 1.00 0.00 O ATOM 308 CB GLU A 20 18.289 1.204 5.738 1.00 0.00 C ATOM 309 CG GLU A 20 19.582 1.883 6.165 1.00 0.00 C ATOM 310 CD GLU A 20 20.493 2.188 4.992 1.00 0.00 C ATOM 311 OE1 GLU A 20 20.349 3.268 4.382 1.00 0.00 O ATOM 312 OE2 GLU A 20 21.359 1.349 4.666 1.00 0.00 O ATOM 0 H GLU A 20 17.205 3.300 6.449 1.00 0.00 H new ATOM 0 HA GLU A 20 18.069 2.389 3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 20 17.698 0.975 6.625 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.527 0.254 5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.346 2.810 6.688 1.00 0.00 H new ATOM 0 HG3 GLU A 20 20.108 1.242 6.873 1.00 0.00 H new ATOM 319 N TRP A 21 15.143 1.270 4.790 1.00 0.00 N ATOM 320 CA TRP A 21 14.013 0.476 4.343 1.00 0.00 C ATOM 321 C TRP A 21 13.348 1.187 3.172 1.00 0.00 C ATOM 322 O TRP A 21 12.936 0.561 2.200 1.00 0.00 O ATOM 323 CB TRP A 21 13.039 0.271 5.516 1.00 0.00 C ATOM 324 CG TRP A 21 11.806 -0.517 5.183 1.00 0.00 C ATOM 325 CD1 TRP A 21 11.690 -1.530 4.275 1.00 0.00 C ATOM 326 CD2 TRP A 21 10.513 -0.365 5.785 1.00 0.00 C ATOM 327 NE1 TRP A 21 10.399 -1.998 4.257 1.00 0.00 N ATOM 328 CE2 TRP A 21 9.658 -1.299 5.175 1.00 0.00 C ATOM 329 CE3 TRP A 21 9.993 0.479 6.768 1.00 0.00 C ATOM 330 CZ2 TRP A 21 8.316 -1.414 5.525 1.00 0.00 C ATOM 331 CZ3 TRP A 21 8.659 0.362 7.115 1.00 0.00 C ATOM 332 CH2 TRP A 21 7.833 -0.574 6.490 1.00 0.00 C ATOM 0 H TRP A 21 14.948 1.869 5.592 1.00 0.00 H new ATOM 0 HA TRP A 21 14.339 -0.508 4.006 1.00 0.00 H new ATOM 0 HB2 TRP A 21 13.568 -0.234 6.324 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.737 1.248 5.894 1.00 0.00 H new ATOM 0 HD1 TRP A 21 12.495 -1.908 3.661 1.00 0.00 H new ATOM 0 HE1 TRP A 21 10.048 -2.745 3.658 1.00 0.00 H new ATOM 0 HE3 TRP A 21 10.623 1.212 7.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 7.677 -2.143 5.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 8.250 1.004 7.881 1.00 0.00 H new ATOM 0 HH2 TRP A 21 6.793 -0.636 6.774 1.00 0.00 H new ATOM 343 N HIS A 22 13.309 2.512 3.253 1.00 0.00 N ATOM 344 CA HIS A 22 12.844 3.346 2.148 1.00 0.00 C ATOM 345 C HIS A 22 13.754 3.153 0.935 1.00 0.00 C ATOM 346 O HIS A 22 13.291 3.094 -0.201 1.00 0.00 O ATOM 347 CB HIS A 22 12.845 4.824 2.572 1.00 0.00 C ATOM 348 CG HIS A 22 12.312 5.774 1.534 1.00 0.00 C ATOM 349 ND1 HIS A 22 13.067 6.261 0.488 1.00 0.00 N ATOM 350 CD2 HIS A 22 11.088 6.337 1.398 1.00 0.00 C ATOM 351 CE1 HIS A 22 12.329 7.079 -0.241 1.00 0.00 C ATOM 352 NE2 HIS A 22 11.126 7.142 0.285 1.00 0.00 N ATOM 0 H HIS A 22 13.596 3.037 4.079 1.00 0.00 H new ATOM 0 HA HIS A 22 11.828 3.053 1.883 1.00 0.00 H new ATOM 0 HB2 HIS A 22 12.251 4.928 3.480 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.865 5.116 2.823 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.238 6.182 2.046 1.00 0.00 H new ATOM 0 HE1 HIS A 22 12.659 7.608 -1.123 1.00 0.00 H new ATOM 0 HE2 HIS A 22 10.349 7.697 -0.074 1.00 0.00 H new ATOM 361 N ASP A 23 15.051 3.059 1.203 1.00 0.00 N ATOM 362 CA ASP A 23 16.070 2.937 0.163 1.00 0.00 C ATOM 363 C ASP A 23 15.897 1.658 -0.658 1.00 0.00 C ATOM 364 O ASP A 23 15.900 1.691 -1.890 1.00 0.00 O ATOM 365 CB ASP A 23 17.459 2.970 0.802 1.00 0.00 C ATOM 366 CG ASP A 23 18.574 2.959 -0.221 1.00 0.00 C ATOM 367 OD1 ASP A 23 18.864 4.025 -0.797 1.00 0.00 O ATOM 368 OD2 ASP A 23 19.171 1.886 -0.442 1.00 0.00 O ATOM 0 H ASP A 23 15.429 3.065 2.150 1.00 0.00 H new ATOM 0 HA ASP A 23 15.957 3.779 -0.520 1.00 0.00 H new ATOM 0 HB2 ASP A 23 17.548 3.863 1.421 1.00 0.00 H new ATOM 0 HB3 ASP A 23 17.570 2.111 1.464 1.00 0.00 H new ATOM 373 N ARG A 24 15.715 0.532 0.025 1.00 0.00 N ATOM 374 CA ARG A 24 15.565 -0.752 -0.662 1.00 0.00 C ATOM 375 C ARG A 24 14.182 -0.863 -1.271 1.00 0.00 C ATOM 376 O ARG A 24 13.993 -1.534 -2.284 1.00 0.00 O ATOM 377 CB ARG A 24 15.825 -1.932 0.288 1.00 0.00 C ATOM 378 CG ARG A 24 17.301 -2.254 0.509 1.00 0.00 C ATOM 379 CD ARG A 24 18.053 -1.080 1.110 1.00 0.00 C ATOM 380 NE ARG A 24 19.426 -1.422 1.468 1.00 0.00 N ATOM 381 CZ ARG A 24 20.280 -0.575 2.041 1.00 0.00 C ATOM 382 NH1 ARG A 24 19.929 0.685 2.255 1.00 0.00 N ATOM 383 NH2 ARG A 24 21.494 -0.991 2.381 1.00 0.00 N ATOM 0 H ARG A 24 15.668 0.479 1.043 1.00 0.00 H new ATOM 0 HA ARG A 24 16.309 -0.794 -1.457 1.00 0.00 H new ATOM 0 HB2 ARG A 24 15.366 -1.714 1.252 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.328 -2.818 -0.109 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.389 -3.118 1.168 1.00 0.00 H new ATOM 0 HG3 ARG A 24 17.758 -2.530 -0.441 1.00 0.00 H new ATOM 0 HD2 ARG A 24 18.061 -0.255 0.398 1.00 0.00 H new ATOM 0 HD3 ARG A 24 17.526 -0.730 1.997 1.00 0.00 H new ATOM 0 HE ARG A 24 19.752 -2.368 1.267 1.00 0.00 H new ATOM 0 HH11 ARG A 24 19.002 1.010 1.981 1.00 0.00 H new ATOM 0 HH12 ARG A 24 20.586 1.330 2.694 1.00 0.00 H new ATOM 0 HH21 ARG A 24 21.771 -1.957 2.203 1.00 0.00 H new ATOM 0 HH22 ARG A 24 22.150 -0.345 2.820 1.00 0.00 H new ATOM 397 N LEU A 25 13.222 -0.180 -0.663 1.00 0.00 N ATOM 398 CA LEU A 25 11.884 -0.100 -1.219 1.00 0.00 C ATOM 399 C LEU A 25 11.909 0.641 -2.550 1.00 0.00 C ATOM 400 O LEU A 25 11.175 0.294 -3.466 1.00 0.00 O ATOM 401 CB LEU A 25 10.927 0.584 -0.240 1.00 0.00 C ATOM 402 CG LEU A 25 10.331 -0.334 0.829 1.00 0.00 C ATOM 403 CD1 LEU A 25 9.372 0.439 1.717 1.00 0.00 C ATOM 404 CD2 LEU A 25 9.625 -1.522 0.189 1.00 0.00 C ATOM 0 H LEU A 25 13.347 0.325 0.214 1.00 0.00 H new ATOM 0 HA LEU A 25 11.523 -1.114 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.458 1.397 0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.112 1.034 -0.807 1.00 0.00 H new ATOM 0 HG LEU A 25 11.146 -0.714 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.957 -0.229 2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.906 1.253 2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.564 0.848 1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.209 -2.161 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.821 -1.164 -0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.339 -2.092 -0.405 1.00 0.00 H new ATOM 416 N MET A 26 12.764 1.658 -2.651 1.00 0.00 N ATOM 417 CA MET A 26 12.925 2.400 -3.899 1.00 0.00 C ATOM 418 C MET A 26 13.490 1.515 -4.999 1.00 0.00 C ATOM 419 O MET A 26 13.047 1.581 -6.146 1.00 0.00 O ATOM 420 CB MET A 26 13.832 3.617 -3.716 1.00 0.00 C ATOM 421 CG MET A 26 13.246 4.696 -2.826 1.00 0.00 C ATOM 422 SD MET A 26 14.250 6.192 -2.805 1.00 0.00 S ATOM 423 CE MET A 26 15.842 5.537 -2.305 1.00 0.00 C ATOM 0 H MET A 26 13.354 1.986 -1.886 1.00 0.00 H new ATOM 0 HA MET A 26 11.932 2.742 -4.190 1.00 0.00 H new ATOM 0 HB2 MET A 26 14.782 3.289 -3.294 1.00 0.00 H new ATOM 0 HB3 MET A 26 14.049 4.046 -4.694 1.00 0.00 H new ATOM 0 HG2 MET A 26 12.241 4.941 -3.171 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.150 4.312 -1.810 1.00 0.00 H new ATOM 0 HE1 MET A 26 16.119 5.955 -1.337 1.00 0.00 H new ATOM 0 HE2 MET A 26 15.781 4.451 -2.228 1.00 0.00 H new ATOM 0 HE3 MET A 26 16.595 5.806 -3.046 1.00 0.00 H new ATOM 433 N GLU A 27 14.475 0.693 -4.654 1.00 0.00 N ATOM 434 CA GLU A 27 15.086 -0.195 -5.635 1.00 0.00 C ATOM 435 C GLU A 27 14.064 -1.201 -6.142 1.00 0.00 C ATOM 436 O GLU A 27 13.934 -1.420 -7.350 1.00 0.00 O ATOM 437 CB GLU A 27 16.297 -0.916 -5.038 1.00 0.00 C ATOM 438 CG GLU A 27 16.922 -1.936 -5.979 1.00 0.00 C ATOM 439 CD GLU A 27 18.148 -2.600 -5.392 1.00 0.00 C ATOM 440 OE1 GLU A 27 18.024 -3.272 -4.348 1.00 0.00 O ATOM 441 OE2 GLU A 27 19.243 -2.446 -5.974 1.00 0.00 O ATOM 0 H GLU A 27 14.864 0.623 -3.714 1.00 0.00 H new ATOM 0 HA GLU A 27 15.431 0.407 -6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 27 17.050 -0.178 -4.763 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.994 -1.419 -4.120 1.00 0.00 H new ATOM 0 HG2 GLU A 27 16.183 -2.699 -6.223 1.00 0.00 H new ATOM 0 HG3 GLU A 27 17.193 -1.444 -6.913 1.00 0.00 H new ATOM 448 N ILE A 28 13.323 -1.791 -5.216 1.00 0.00 N ATOM 449 CA ILE A 28 12.260 -2.722 -5.576 1.00 0.00 C ATOM 450 C ILE A 28 11.179 -2.004 -6.386 1.00 0.00 C ATOM 451 O ILE A 28 10.604 -2.565 -7.323 1.00 0.00 O ATOM 452 CB ILE A 28 11.630 -3.369 -4.319 1.00 0.00 C ATOM 453 CG1 ILE A 28 12.694 -4.138 -3.531 1.00 0.00 C ATOM 454 CG2 ILE A 28 10.484 -4.296 -4.707 1.00 0.00 C ATOM 455 CD1 ILE A 28 12.187 -4.732 -2.233 1.00 0.00 C ATOM 0 H ILE A 28 13.436 -1.644 -4.213 1.00 0.00 H new ATOM 0 HA ILE A 28 12.701 -3.513 -6.183 1.00 0.00 H new ATOM 0 HB ILE A 28 11.229 -2.576 -3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 28 13.087 -4.939 -4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 28 13.525 -3.468 -3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 28 10.055 -4.740 -3.809 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.717 -3.726 -5.232 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.859 -5.085 -5.359 1.00 0.00 H new ATOM 0 HD11 ILE A 28 12.999 -5.261 -1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.821 -3.935 -1.586 1.00 0.00 H new ATOM 0 HD13 ILE A 28 11.376 -5.429 -2.444 1.00 0.00 H new ATOM 467 N ALA A 29 10.936 -0.747 -6.034 1.00 0.00 N ATOM 468 CA ALA A 29 9.920 0.065 -6.692 1.00 0.00 C ATOM 469 C ALA A 29 10.235 0.259 -8.171 1.00 0.00 C ATOM 470 O ALA A 29 9.344 0.211 -9.017 1.00 0.00 O ATOM 471 CB ALA A 29 9.787 1.413 -5.996 1.00 0.00 C ATOM 0 H ALA A 29 11.436 -0.264 -5.287 1.00 0.00 H new ATOM 0 HA ALA A 29 8.970 -0.465 -6.620 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.025 2.008 -6.499 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.500 1.259 -4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.741 1.938 -6.035 1.00 0.00 H new ATOM 477 N LYS A 30 11.512 0.429 -8.486 1.00 0.00 N ATOM 478 CA LYS A 30 11.923 0.689 -9.859 1.00 0.00 C ATOM 479 C LYS A 30 11.905 -0.593 -10.670 1.00 0.00 C ATOM 480 O LYS A 30 11.651 -0.576 -11.876 1.00 0.00 O ATOM 481 CB LYS A 30 13.326 1.299 -9.898 1.00 0.00 C ATOM 482 CG LYS A 30 13.402 2.704 -9.326 1.00 0.00 C ATOM 483 CD LYS A 30 14.813 3.262 -9.426 1.00 0.00 C ATOM 484 CE LYS A 30 14.881 4.696 -8.932 1.00 0.00 C ATOM 485 NZ LYS A 30 16.260 5.247 -8.995 1.00 0.00 N ATOM 0 H LYS A 30 12.278 0.392 -7.813 1.00 0.00 H new ATOM 0 HA LYS A 30 11.217 1.397 -10.293 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.008 0.654 -9.343 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.675 1.318 -10.931 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.712 3.356 -9.862 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.085 2.693 -8.283 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.493 2.642 -8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.151 3.216 -10.461 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.216 5.317 -9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.520 4.742 -7.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.258 6.227 -8.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 16.891 4.671 -8.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.597 5.228 -9.979 1.00 0.00 H new ATOM 499 N GLU A 31 12.166 -1.700 -10.001 1.00 0.00 N ATOM 500 CA GLU A 31 12.160 -2.998 -10.648 1.00 0.00 C ATOM 501 C GLU A 31 10.762 -3.349 -11.167 1.00 0.00 C ATOM 502 O GLU A 31 10.613 -3.875 -12.273 1.00 0.00 O ATOM 503 CB GLU A 31 12.655 -4.074 -9.683 1.00 0.00 C ATOM 504 CG GLU A 31 12.793 -5.445 -10.322 1.00 0.00 C ATOM 505 CD GLU A 31 13.241 -6.507 -9.342 1.00 0.00 C ATOM 506 OE1 GLU A 31 12.376 -7.101 -8.673 1.00 0.00 O ATOM 507 OE2 GLU A 31 14.459 -6.772 -9.251 1.00 0.00 O ATOM 0 H GLU A 31 12.386 -1.726 -9.005 1.00 0.00 H new ATOM 0 HA GLU A 31 12.836 -2.954 -11.502 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.621 -3.772 -9.279 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.965 -4.142 -8.842 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.836 -5.737 -10.755 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.509 -5.388 -11.142 1.00 0.00 H new ATOM 514 N LYS A 32 9.740 -3.048 -10.367 1.00 0.00 N ATOM 515 CA LYS A 32 8.362 -3.392 -10.723 1.00 0.00 C ATOM 516 C LYS A 32 7.627 -2.229 -11.393 1.00 0.00 C ATOM 517 O LYS A 32 6.481 -2.384 -11.827 1.00 0.00 O ATOM 518 CB LYS A 32 7.563 -3.847 -9.495 1.00 0.00 C ATOM 519 CG LYS A 32 7.873 -5.260 -9.018 1.00 0.00 C ATOM 520 CD LYS A 32 9.135 -5.319 -8.176 1.00 0.00 C ATOM 521 CE LYS A 32 9.391 -6.727 -7.664 1.00 0.00 C ATOM 522 NZ LYS A 32 9.812 -7.653 -8.749 1.00 0.00 N ATOM 0 H LYS A 32 9.838 -2.569 -9.472 1.00 0.00 H new ATOM 0 HA LYS A 32 8.433 -4.214 -11.436 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.754 -3.152 -8.677 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.500 -3.782 -9.726 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.032 -5.637 -8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.983 -5.917 -9.881 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.986 -4.985 -8.769 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.045 -4.634 -7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.163 -6.697 -6.895 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.486 -7.110 -7.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.860 -8.623 -8.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.122 -7.613 -9.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.748 -7.371 -9.103 1.00 0.00 H new ATOM 536 N ASN A 33 8.288 -1.073 -11.472 1.00 0.00 N ATOM 537 CA ASN A 33 7.676 0.148 -12.014 1.00 0.00 C ATOM 538 C ASN A 33 6.492 0.577 -11.155 1.00 0.00 C ATOM 539 O ASN A 33 5.428 0.936 -11.658 1.00 0.00 O ATOM 540 CB ASN A 33 7.238 -0.039 -13.472 1.00 0.00 C ATOM 541 CG ASN A 33 8.405 -0.047 -14.439 1.00 0.00 C ATOM 542 OD1 ASN A 33 8.824 1.004 -14.929 1.00 0.00 O ATOM 543 ND2 ASN A 33 8.930 -1.224 -14.737 1.00 0.00 N ATOM 0 H ASN A 33 9.254 -0.954 -11.166 1.00 0.00 H new ATOM 0 HA ASN A 33 8.431 0.933 -11.993 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.689 -0.976 -13.564 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.551 0.761 -13.746 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.709 -1.284 -15.393 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.556 -2.072 -14.311 1.00 0.00 H new ATOM 550 N LEU A 34 6.706 0.538 -9.852 1.00 0.00 N ATOM 551 CA LEU A 34 5.690 0.874 -8.863 1.00 0.00 C ATOM 552 C LEU A 34 6.275 1.851 -7.856 1.00 0.00 C ATOM 553 O LEU A 34 7.478 2.100 -7.863 1.00 0.00 O ATOM 554 CB LEU A 34 5.199 -0.386 -8.139 1.00 0.00 C ATOM 555 CG LEU A 34 4.415 -1.373 -9.005 1.00 0.00 C ATOM 556 CD1 LEU A 34 4.078 -2.624 -8.209 1.00 0.00 C ATOM 557 CD2 LEU A 34 3.145 -0.721 -9.538 1.00 0.00 C ATOM 0 H LEU A 34 7.601 0.269 -9.443 1.00 0.00 H new ATOM 0 HA LEU A 34 4.840 1.330 -9.371 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.062 -0.903 -7.718 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.570 -0.083 -7.302 1.00 0.00 H new ATOM 0 HG LEU A 34 5.037 -1.660 -9.853 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.520 -3.317 -8.839 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.999 -3.100 -7.873 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.473 -2.353 -7.344 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.599 -1.437 -10.152 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.519 -0.407 -8.703 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.408 0.148 -10.141 1.00 0.00 H new ATOM 569 N THR A 35 5.439 2.437 -7.020 1.00 0.00 N ATOM 570 CA THR A 35 5.943 3.293 -5.964 1.00 0.00 C ATOM 571 C THR A 35 5.895 2.551 -4.638 1.00 0.00 C ATOM 572 O THR A 35 5.161 1.572 -4.502 1.00 0.00 O ATOM 573 CB THR A 35 5.140 4.608 -5.840 1.00 0.00 C ATOM 574 OG1 THR A 35 3.798 4.335 -5.417 1.00 0.00 O ATOM 575 CG2 THR A 35 5.113 5.357 -7.162 1.00 0.00 C ATOM 0 H THR A 35 4.424 2.339 -7.050 1.00 0.00 H new ATOM 0 HA THR A 35 6.970 3.553 -6.220 1.00 0.00 H new ATOM 0 HB THR A 35 5.634 5.232 -5.095 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.281 3.986 -6.173 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.542 6.278 -7.047 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.132 5.598 -7.465 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.646 4.733 -7.924 1.00 0.00 H new ATOM 583 N LEU A 36 6.683 2.997 -3.669 1.00 0.00 N ATOM 584 CA LEU A 36 6.675 2.384 -2.345 1.00 0.00 C ATOM 585 C LEU A 36 5.278 2.468 -1.736 1.00 0.00 C ATOM 586 O LEU A 36 4.852 1.581 -0.999 1.00 0.00 O ATOM 587 CB LEU A 36 7.708 3.043 -1.421 1.00 0.00 C ATOM 588 CG LEU A 36 7.439 4.496 -1.023 1.00 0.00 C ATOM 589 CD1 LEU A 36 8.299 4.875 0.167 1.00 0.00 C ATOM 590 CD2 LEU A 36 7.708 5.448 -2.180 1.00 0.00 C ATOM 0 H LEU A 36 7.333 3.776 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 36 6.950 1.335 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.780 2.448 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.681 2.998 -1.910 1.00 0.00 H new ATOM 0 HG LEU A 36 6.386 4.581 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.101 5.911 0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.063 4.223 1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.351 4.764 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.507 6.471 -1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.750 5.361 -2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.060 5.194 -3.019 1.00 0.00 H new ATOM 602 N SER A 37 4.570 3.539 -2.064 1.00 0.00 N ATOM 603 CA SER A 37 3.190 3.715 -1.651 1.00 0.00 C ATOM 604 C SER A 37 2.328 2.551 -2.138 1.00 0.00 C ATOM 605 O SER A 37 1.475 2.045 -1.402 1.00 0.00 O ATOM 606 CB SER A 37 2.666 5.030 -2.206 1.00 0.00 C ATOM 607 OG SER A 37 3.573 6.084 -1.925 1.00 0.00 O ATOM 0 H SER A 37 4.938 4.308 -2.624 1.00 0.00 H new ATOM 0 HA SER A 37 3.143 3.735 -0.562 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.520 4.945 -3.283 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.693 5.254 -1.769 1.00 0.00 H new ATOM 0 HG SER A 37 3.095 6.939 -1.937 1.00 0.00 H new ATOM 613 N ASP A 38 2.572 2.120 -3.374 1.00 0.00 N ATOM 614 CA ASP A 38 1.858 0.984 -3.947 1.00 0.00 C ATOM 615 C ASP A 38 2.189 -0.283 -3.181 1.00 0.00 C ATOM 616 O ASP A 38 1.302 -1.042 -2.814 1.00 0.00 O ATOM 617 CB ASP A 38 2.209 0.788 -5.426 1.00 0.00 C ATOM 618 CG ASP A 38 1.608 1.849 -6.324 1.00 0.00 C ATOM 619 OD1 ASP A 38 0.387 1.788 -6.583 1.00 0.00 O ATOM 620 OD2 ASP A 38 2.354 2.741 -6.783 1.00 0.00 O ATOM 0 H ASP A 38 3.260 2.542 -3.998 1.00 0.00 H new ATOM 0 HA ASP A 38 0.791 1.194 -3.870 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.293 0.795 -5.540 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.861 -0.193 -5.749 1.00 0.00 H new ATOM 625 N VAL A 39 3.470 -0.485 -2.909 1.00 0.00 N ATOM 626 CA VAL A 39 3.927 -1.675 -2.195 1.00 0.00 C ATOM 627 C VAL A 39 3.357 -1.710 -0.780 1.00 0.00 C ATOM 628 O VAL A 39 3.094 -2.775 -0.238 1.00 0.00 O ATOM 629 CB VAL A 39 5.470 -1.726 -2.128 1.00 0.00 C ATOM 630 CG1 VAL A 39 5.950 -3.007 -1.459 1.00 0.00 C ATOM 631 CG2 VAL A 39 6.073 -1.586 -3.519 1.00 0.00 C ATOM 0 H VAL A 39 4.215 0.160 -3.171 1.00 0.00 H new ATOM 0 HA VAL A 39 3.569 -2.544 -2.747 1.00 0.00 H new ATOM 0 HB VAL A 39 5.807 -0.886 -1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.039 -3.014 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.556 -3.057 -0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.598 -3.868 -2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.160 -1.624 -3.450 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.721 -2.400 -4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.770 -0.633 -3.952 1.00 0.00 H new ATOM 641 N CYS A 40 3.152 -0.539 -0.196 1.00 0.00 N ATOM 642 CA CYS A 40 2.624 -0.434 1.157 1.00 0.00 C ATOM 643 C CYS A 40 1.162 -0.896 1.211 1.00 0.00 C ATOM 644 O CYS A 40 0.812 -1.782 1.987 1.00 0.00 O ATOM 645 CB CYS A 40 2.774 1.017 1.650 1.00 0.00 C ATOM 646 SG CYS A 40 2.781 1.227 3.439 1.00 0.00 S ATOM 0 H CYS A 40 3.345 0.358 -0.641 1.00 0.00 H new ATOM 0 HA CYS A 40 3.192 -1.089 1.818 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.702 1.425 1.249 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.959 1.610 1.235 1.00 0.00 H new ATOM 0 HG CYS A 40 1.644 0.828 3.927 1.00 0.00 H new ATOM 652 N ARG A 41 0.300 -0.276 0.417 1.00 0.00 N ATOM 653 CA ARG A 41 -1.085 -0.728 0.302 1.00 0.00 C ATOM 654 C ARG A 41 -1.182 -2.166 -0.234 1.00 0.00 C ATOM 655 O ARG A 41 -2.118 -2.891 0.096 1.00 0.00 O ATOM 656 CB ARG A 41 -1.906 0.249 -0.556 1.00 0.00 C ATOM 657 CG ARG A 41 -1.320 0.559 -1.928 1.00 0.00 C ATOM 658 CD ARG A 41 -1.730 -0.466 -2.977 1.00 0.00 C ATOM 659 NE ARG A 41 -3.178 -0.471 -3.200 1.00 0.00 N ATOM 660 CZ ARG A 41 -3.760 -0.844 -4.343 1.00 0.00 C ATOM 661 NH1 ARG A 41 -3.021 -1.228 -5.377 1.00 0.00 N ATOM 662 NH2 ARG A 41 -5.084 -0.824 -4.452 1.00 0.00 N ATOM 0 H ARG A 41 0.530 0.537 -0.155 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.510 -0.739 1.306 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.906 -0.163 -0.691 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.018 1.184 -0.007 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.646 1.550 -2.244 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.233 0.589 -1.858 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.219 -0.249 -3.915 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.408 -1.458 -2.660 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.780 -0.170 -2.434 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.004 -1.239 -5.301 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.470 -1.512 -6.248 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.656 -0.524 -3.663 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.528 -1.109 -5.325 1.00 0.00 H new ATOM 676 N LEU A 42 -0.223 -2.583 -1.058 1.00 0.00 N ATOM 677 CA LEU A 42 -0.174 -3.974 -1.514 1.00 0.00 C ATOM 678 C LEU A 42 0.271 -4.891 -0.382 1.00 0.00 C ATOM 679 O LEU A 42 -0.011 -6.089 -0.386 1.00 0.00 O ATOM 680 CB LEU A 42 0.760 -4.136 -2.718 1.00 0.00 C ATOM 681 CG LEU A 42 0.256 -3.520 -4.025 1.00 0.00 C ATOM 682 CD1 LEU A 42 1.277 -3.716 -5.134 1.00 0.00 C ATOM 683 CD2 LEU A 42 -1.088 -4.120 -4.420 1.00 0.00 C ATOM 0 H LEU A 42 0.522 -1.988 -1.421 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.180 -4.254 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.723 -3.688 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.935 -5.200 -2.881 1.00 0.00 H new ATOM 0 HG LEU A 42 0.118 -2.450 -3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.902 -3.272 -6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.215 -3.235 -4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.447 -4.782 -5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.428 -3.668 -5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.980 -5.196 -4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.818 -3.925 -3.635 1.00 0.00 H new ATOM 695 N ALA A 43 0.950 -4.310 0.594 1.00 0.00 N ATOM 696 CA ALA A 43 1.430 -5.050 1.744 1.00 0.00 C ATOM 697 C ALA A 43 0.264 -5.448 2.637 1.00 0.00 C ATOM 698 O ALA A 43 0.176 -6.590 3.084 1.00 0.00 O ATOM 699 CB ALA A 43 2.439 -4.228 2.519 1.00 0.00 C ATOM 0 H ALA A 43 1.182 -3.317 0.609 1.00 0.00 H new ATOM 0 HA ALA A 43 1.924 -5.957 1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.789 -4.798 3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.284 -3.988 1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.970 -3.306 2.862 1.00 0.00 H new ATOM 705 N ILE A 44 -0.649 -4.506 2.882 1.00 0.00 N ATOM 706 CA ILE A 44 -1.845 -4.805 3.660 1.00 0.00 C ATOM 707 C ILE A 44 -2.770 -5.714 2.876 1.00 0.00 C ATOM 708 O ILE A 44 -3.552 -6.456 3.455 1.00 0.00 O ATOM 709 CB ILE A 44 -2.612 -3.544 4.128 1.00 0.00 C ATOM 710 CG1 ILE A 44 -2.621 -2.465 3.048 1.00 0.00 C ATOM 711 CG2 ILE A 44 -2.015 -3.012 5.418 1.00 0.00 C ATOM 712 CD1 ILE A 44 -3.336 -1.196 3.467 1.00 0.00 C ATOM 0 H ILE A 44 -0.582 -3.542 2.556 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.501 -5.311 4.562 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.647 -3.829 4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.593 -2.222 2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.098 -2.863 2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.564 -2.126 5.735 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.082 -3.776 6.192 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.969 -2.752 5.255 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.303 -0.474 2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.374 -1.426 3.707 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.845 -0.775 4.344 1.00 0.00 H new ATOM 724 N LYS A 45 -2.681 -5.656 1.554 1.00 0.00 N ATOM 725 CA LYS A 45 -3.405 -6.594 0.714 1.00 0.00 C ATOM 726 C LYS A 45 -2.947 -8.027 1.004 1.00 0.00 C ATOM 727 O LYS A 45 -3.758 -8.948 1.081 1.00 0.00 O ATOM 728 CB LYS A 45 -3.209 -6.253 -0.765 1.00 0.00 C ATOM 729 CG LYS A 45 -3.841 -7.255 -1.718 1.00 0.00 C ATOM 730 CD LYS A 45 -3.604 -6.875 -3.168 1.00 0.00 C ATOM 731 CE LYS A 45 -4.065 -7.970 -4.117 1.00 0.00 C ATOM 732 NZ LYS A 45 -3.290 -9.228 -3.933 1.00 0.00 N ATOM 0 H LYS A 45 -2.119 -4.974 1.045 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.468 -6.517 0.942 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.630 -5.267 -0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.141 -6.191 -0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.429 -8.247 -1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.913 -7.313 -1.527 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.135 -5.950 -3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.543 -6.680 -3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.124 -8.169 -3.954 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.960 -7.626 -5.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.394 -9.827 -4.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.285 -8.999 -3.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.648 -9.738 -3.100 1.00 0.00 H new ATOM 746 N GLU A 46 -1.642 -8.193 1.184 1.00 0.00 N ATOM 747 CA GLU A 46 -1.060 -9.481 1.548 1.00 0.00 C ATOM 748 C GLU A 46 -1.460 -9.819 2.975 1.00 0.00 C ATOM 749 O GLU A 46 -1.763 -10.964 3.307 1.00 0.00 O ATOM 750 CB GLU A 46 0.470 -9.395 1.423 1.00 0.00 C ATOM 751 CG GLU A 46 1.240 -10.553 2.052 1.00 0.00 C ATOM 752 CD GLU A 46 1.191 -11.831 1.239 1.00 0.00 C ATOM 753 OE1 GLU A 46 2.059 -12.015 0.355 1.00 0.00 O ATOM 754 OE2 GLU A 46 0.312 -12.673 1.495 1.00 0.00 O ATOM 0 H GLU A 46 -0.959 -7.442 1.082 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.424 -10.264 0.883 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.729 -9.339 0.366 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.804 -8.465 1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.281 -10.257 2.184 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.836 -10.749 3.045 1.00 0.00 H new ATOM 761 N TYR A 47 -1.492 -8.784 3.801 1.00 0.00 N ATOM 762 CA TYR A 47 -1.819 -8.919 5.208 1.00 0.00 C ATOM 763 C TYR A 47 -3.248 -9.443 5.380 1.00 0.00 C ATOM 764 O TYR A 47 -3.486 -10.405 6.110 1.00 0.00 O ATOM 765 CB TYR A 47 -1.662 -7.558 5.890 1.00 0.00 C ATOM 766 CG TYR A 47 -1.615 -7.607 7.400 1.00 0.00 C ATOM 767 CD1 TYR A 47 -0.419 -7.855 8.063 1.00 0.00 C ATOM 768 CD2 TYR A 47 -2.756 -7.386 8.160 1.00 0.00 C ATOM 769 CE1 TYR A 47 -0.363 -7.882 9.441 1.00 0.00 C ATOM 770 CE2 TYR A 47 -2.707 -7.414 9.541 1.00 0.00 C ATOM 771 CZ TYR A 47 -1.510 -7.663 10.176 1.00 0.00 C ATOM 772 OH TYR A 47 -1.458 -7.689 11.551 1.00 0.00 O ATOM 0 H TYR A 47 -1.291 -7.827 3.512 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.141 -9.637 5.670 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.747 -7.089 5.527 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.490 -6.918 5.587 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.480 -8.029 7.491 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.695 -7.189 7.665 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.574 -8.074 9.942 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.603 -7.242 10.119 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.351 -7.515 11.915 1.00 0.00 H new ATOM 782 N LEU A 48 -4.190 -8.807 4.692 1.00 0.00 N ATOM 783 CA LEU A 48 -5.597 -9.186 4.765 1.00 0.00 C ATOM 784 C LEU A 48 -5.825 -10.543 4.123 1.00 0.00 C ATOM 785 O LEU A 48 -6.260 -11.483 4.782 1.00 0.00 O ATOM 786 CB LEU A 48 -6.479 -8.147 4.060 1.00 0.00 C ATOM 787 CG LEU A 48 -6.293 -6.698 4.511 1.00 0.00 C ATOM 788 CD1 LEU A 48 -7.257 -5.786 3.769 1.00 0.00 C ATOM 789 CD2 LEU A 48 -6.482 -6.574 6.013 1.00 0.00 C ATOM 0 H LEU A 48 -4.002 -8.019 4.072 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.868 -9.235 5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.286 -8.202 2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.523 -8.423 4.210 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.275 -6.390 4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.113 -4.758 4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.068 -5.852 2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.282 -6.094 3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.345 -5.535 6.312 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.487 -6.900 6.281 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.750 -7.198 6.525 1.00 0.00 H new ATOM 801 N ASP A 49 -5.486 -10.631 2.843 1.00 0.00 N ATOM 802 CA ASP A 49 -5.768 -11.807 2.020 1.00 0.00 C ATOM 803 C ASP A 49 -5.064 -13.063 2.538 1.00 0.00 C ATOM 804 O ASP A 49 -5.381 -14.181 2.131 1.00 0.00 O ATOM 805 CB ASP A 49 -5.359 -11.507 0.579 1.00 0.00 C ATOM 806 CG ASP A 49 -5.592 -12.659 -0.375 1.00 0.00 C ATOM 807 OD1 ASP A 49 -6.761 -13.028 -0.607 1.00 0.00 O ATOM 808 OD2 ASP A 49 -4.601 -13.184 -0.923 1.00 0.00 O ATOM 0 H ASP A 49 -5.004 -9.885 2.341 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.837 -12.015 2.069 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.915 -10.638 0.227 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.303 -11.239 0.559 1.00 0.00 H new ATOM 813 N ASN A 50 -4.123 -12.884 3.452 1.00 0.00 N ATOM 814 CA ASN A 50 -3.435 -14.014 4.051 1.00 0.00 C ATOM 815 C ASN A 50 -4.347 -14.731 5.042 1.00 0.00 C ATOM 816 O ASN A 50 -4.574 -15.935 4.926 1.00 0.00 O ATOM 817 CB ASN A 50 -2.167 -13.551 4.760 1.00 0.00 C ATOM 818 CG ASN A 50 -1.273 -14.705 5.164 1.00 0.00 C ATOM 819 OD1 ASN A 50 -1.372 -15.231 6.274 1.00 0.00 O ATOM 820 ND2 ASN A 50 -0.397 -15.111 4.259 1.00 0.00 N ATOM 0 H ASN A 50 -3.820 -11.972 3.793 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.163 -14.707 3.255 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.613 -12.879 4.105 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -2.439 -12.979 5.647 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.230 -15.888 4.469 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.349 -14.647 3.352 1.00 0.00 H new ATOM 1084 N GLY B 10 14.467 8.491 8.282 1.00 0.00 N ATOM 1085 CA GLY B 10 13.027 8.543 8.166 1.00 0.00 C ATOM 1086 C GLY B 10 12.594 9.369 6.976 1.00 0.00 C ATOM 1087 O GLY B 10 12.726 10.594 6.971 1.00 0.00 O ATOM 0 HA2 GLY B 10 12.632 7.531 8.070 1.00 0.00 H new ATOM 0 HA3 GLY B 10 12.603 8.966 9.077 1.00 0.00 H new ATOM 1091 N ILE B 11 12.081 8.695 5.963 1.00 0.00 N ATOM 1092 CA ILE B 11 11.690 9.355 4.725 1.00 0.00 C ATOM 1093 C ILE B 11 10.169 9.429 4.637 1.00 0.00 C ATOM 1094 O ILE B 11 9.472 8.617 5.248 1.00 0.00 O ATOM 1095 CB ILE B 11 12.249 8.596 3.492 1.00 0.00 C ATOM 1096 CG1 ILE B 11 13.728 8.247 3.695 1.00 0.00 C ATOM 1097 CG2 ILE B 11 12.079 9.415 2.217 1.00 0.00 C ATOM 1098 CD1 ILE B 11 14.619 9.459 3.855 1.00 0.00 C ATOM 0 H ILE B 11 11.924 7.687 5.971 1.00 0.00 H new ATOM 0 HA ILE B 11 12.106 10.363 4.727 1.00 0.00 H new ATOM 0 HB ILE B 11 11.679 7.673 3.387 1.00 0.00 H new ATOM 0 HG12 ILE B 11 13.826 7.615 4.578 1.00 0.00 H new ATOM 0 HG13 ILE B 11 14.075 7.661 2.844 1.00 0.00 H new ATOM 0 HG21 ILE B 11 12.480 8.858 1.370 1.00 0.00 H new ATOM 0 HG22 ILE B 11 11.020 9.615 2.051 1.00 0.00 H new ATOM 0 HG23 ILE B 11 12.615 10.359 2.317 1.00 0.00 H new ATOM 0 HD11 ILE B 11 15.651 9.136 3.995 1.00 0.00 H new ATOM 0 HD12 ILE B 11 14.551 10.081 2.962 1.00 0.00 H new ATOM 0 HD13 ILE B 11 14.298 10.034 4.723 1.00 0.00 H new ATOM 1110 N LYS B 12 9.659 10.375 3.856 1.00 0.00 N ATOM 1111 CA LYS B 12 8.225 10.587 3.750 1.00 0.00 C ATOM 1112 C LYS B 12 7.684 9.911 2.502 1.00 0.00 C ATOM 1113 O LYS B 12 8.197 10.098 1.397 1.00 0.00 O ATOM 1114 CB LYS B 12 7.906 12.088 3.699 1.00 0.00 C ATOM 1115 CG LYS B 12 6.505 12.403 3.180 1.00 0.00 C ATOM 1116 CD LYS B 12 5.424 12.090 4.204 1.00 0.00 C ATOM 1117 CE LYS B 12 5.204 13.254 5.159 1.00 0.00 C ATOM 1118 NZ LYS B 12 4.667 14.452 4.459 1.00 0.00 N ATOM 0 H LYS B 12 10.221 11.007 3.287 1.00 0.00 H new ATOM 0 HA LYS B 12 7.750 10.152 4.629 1.00 0.00 H new ATOM 0 HB2 LYS B 12 8.016 12.507 4.699 1.00 0.00 H new ATOM 0 HB3 LYS B 12 8.639 12.584 3.063 1.00 0.00 H new ATOM 0 HG2 LYS B 12 6.450 13.457 2.908 1.00 0.00 H new ATOM 0 HG3 LYS B 12 6.319 11.829 2.272 1.00 0.00 H new ATOM 0 HD2 LYS B 12 4.491 11.859 3.690 1.00 0.00 H new ATOM 0 HD3 LYS B 12 5.704 11.202 4.770 1.00 0.00 H new ATOM 0 HE2 LYS B 12 4.512 12.953 5.945 1.00 0.00 H new ATOM 0 HE3 LYS B 12 6.146 13.509 5.644 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 4.146 15.045 5.136 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 5.453 14.999 4.054 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 4.026 14.151 3.697 1.00 0.00 H new ATOM 1132 N LEU B 13 6.656 9.109 2.698 1.00 0.00 N ATOM 1133 CA LEU B 13 5.993 8.418 1.614 1.00 0.00 C ATOM 1134 C LEU B 13 4.488 8.550 1.763 1.00 0.00 C ATOM 1135 O LEU B 13 3.933 8.291 2.833 1.00 0.00 O ATOM 1136 CB LEU B 13 6.398 6.938 1.569 1.00 0.00 C ATOM 1137 CG LEU B 13 6.211 6.147 2.872 1.00 0.00 C ATOM 1138 CD1 LEU B 13 6.150 4.657 2.580 1.00 0.00 C ATOM 1139 CD2 LEU B 13 7.345 6.435 3.849 1.00 0.00 C ATOM 0 H LEU B 13 6.257 8.919 3.617 1.00 0.00 H new ATOM 0 HA LEU B 13 6.302 8.877 0.675 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.821 6.448 0.784 1.00 0.00 H new ATOM 0 HB3 LEU B 13 7.447 6.878 1.279 1.00 0.00 H new ATOM 0 HG LEU B 13 5.272 6.462 3.327 1.00 0.00 H new ATOM 0 HD11 LEU B 13 6.017 4.109 3.513 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.311 4.451 1.915 1.00 0.00 H new ATOM 0 HD13 LEU B 13 7.078 4.342 2.102 1.00 0.00 H new ATOM 0 HD21 LEU B 13 7.191 5.864 4.764 1.00 0.00 H new ATOM 0 HD22 LEU B 13 8.295 6.149 3.398 1.00 0.00 H new ATOM 0 HD23 LEU B 13 7.361 7.499 4.084 1.00 0.00 H new ATOM 1151 N GLY B 14 3.836 8.978 0.701 1.00 0.00 N ATOM 1152 CA GLY B 14 2.404 9.124 0.735 1.00 0.00 C ATOM 1153 C GLY B 14 1.709 7.996 0.010 1.00 0.00 C ATOM 1154 O GLY B 14 1.933 7.788 -1.184 1.00 0.00 O ATOM 0 H GLY B 14 4.274 9.227 -0.186 1.00 0.00 H new ATOM 0 HA2 GLY B 14 2.066 9.153 1.771 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.124 10.075 0.281 1.00 0.00 H new ATOM 1158 N VAL B 15 0.873 7.262 0.722 1.00 0.00 N ATOM 1159 CA VAL B 15 0.125 6.165 0.127 1.00 0.00 C ATOM 1160 C VAL B 15 -1.318 6.617 -0.094 1.00 0.00 C ATOM 1161 O VAL B 15 -1.781 7.549 0.567 1.00 0.00 O ATOM 1162 CB VAL B 15 0.186 4.888 1.015 1.00 0.00 C ATOM 1163 CG1 VAL B 15 -0.525 3.717 0.355 1.00 0.00 C ATOM 1164 CG2 VAL B 15 1.631 4.522 1.322 1.00 0.00 C ATOM 0 H VAL B 15 0.693 7.405 1.716 1.00 0.00 H new ATOM 0 HA VAL B 15 0.574 5.902 -0.831 1.00 0.00 H new ATOM 0 HB VAL B 15 -0.329 5.109 1.950 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -0.463 2.842 1.002 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -1.572 3.973 0.190 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -0.051 3.495 -0.601 1.00 0.00 H new ATOM 0 HG21 VAL B 15 1.655 3.627 1.944 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.164 4.331 0.390 1.00 0.00 H new ATOM 0 HG23 VAL B 15 2.110 5.345 1.852 1.00 0.00 H new ATOM 1174 N TYR B 16 -2.012 5.994 -1.038 1.00 0.00 N ATOM 1175 CA TYR B 16 -3.348 6.431 -1.413 1.00 0.00 C ATOM 1176 C TYR B 16 -4.296 5.243 -1.494 1.00 0.00 C ATOM 1177 O TYR B 16 -4.143 4.378 -2.356 1.00 0.00 O ATOM 1178 CB TYR B 16 -3.306 7.131 -2.769 1.00 0.00 C ATOM 1179 CG TYR B 16 -4.181 8.353 -2.859 1.00 0.00 C ATOM 1180 CD1 TYR B 16 -4.208 9.283 -1.835 1.00 0.00 C ATOM 1181 CD2 TYR B 16 -4.972 8.580 -3.973 1.00 0.00 C ATOM 1182 CE1 TYR B 16 -5.001 10.406 -1.913 1.00 0.00 C ATOM 1183 CE2 TYR B 16 -5.769 9.703 -4.062 1.00 0.00 C ATOM 1184 CZ TYR B 16 -5.780 10.614 -3.029 1.00 0.00 C ATOM 1185 OH TYR B 16 -6.578 11.732 -3.115 1.00 0.00 O ATOM 0 H TYR B 16 -1.671 5.185 -1.557 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.707 7.124 -0.652 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.277 7.418 -2.986 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.609 6.423 -3.541 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -3.596 9.125 -0.959 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -4.965 7.867 -4.784 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -5.012 11.120 -1.103 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -6.381 9.867 -4.937 1.00 0.00 H new ATOM 0 HH TYR B 16 -7.061 11.725 -3.968 1.00 0.00 H new ATOM 1195 N ILE B 17 -5.265 5.200 -0.591 1.00 0.00 N ATOM 1196 CA ILE B 17 -6.257 4.133 -0.583 1.00 0.00 C ATOM 1197 C ILE B 17 -7.633 4.684 -0.214 1.00 0.00 C ATOM 1198 O ILE B 17 -7.742 5.608 0.589 1.00 0.00 O ATOM 1199 CB ILE B 17 -5.863 2.980 0.369 1.00 0.00 C ATOM 1200 CG1 ILE B 17 -5.376 3.511 1.722 1.00 0.00 C ATOM 1201 CG2 ILE B 17 -4.796 2.109 -0.278 1.00 0.00 C ATOM 1202 CD1 ILE B 17 -4.956 2.418 2.681 1.00 0.00 C ATOM 0 H ILE B 17 -5.386 5.893 0.147 1.00 0.00 H new ATOM 0 HA ILE B 17 -6.298 3.722 -1.592 1.00 0.00 H new ATOM 0 HB ILE B 17 -6.751 2.376 0.553 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -4.534 4.184 1.558 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -6.170 4.100 2.180 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -4.526 1.300 0.401 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -5.183 1.689 -1.207 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -3.914 2.713 -0.492 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -4.623 2.864 3.618 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -5.802 1.758 2.874 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.140 1.843 2.243 1.00 0.00 H new ATOM 1214 N PRO B 18 -8.693 4.118 -0.816 1.00 0.00 N ATOM 1215 CA PRO B 18 -10.057 4.660 -0.749 1.00 0.00 C ATOM 1216 C PRO B 18 -10.796 4.400 0.568 1.00 0.00 C ATOM 1217 O PRO B 18 -10.236 3.853 1.525 1.00 0.00 O ATOM 1218 CB PRO B 18 -10.793 3.944 -1.894 1.00 0.00 C ATOM 1219 CG PRO B 18 -9.765 3.117 -2.602 1.00 0.00 C ATOM 1220 CD PRO B 18 -8.646 2.902 -1.630 1.00 0.00 C ATOM 0 HA PRO B 18 -10.022 5.747 -0.824 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -11.597 3.318 -1.508 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -11.248 4.664 -2.574 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -10.188 2.165 -2.923 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -9.408 3.626 -3.498 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -8.798 2.006 -1.029 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -7.687 2.789 -2.135 1.00 0.00 H new ATOM 1228 N GLN B 19 -12.066 4.805 0.584 1.00 0.00 N ATOM 1229 CA GLN B 19 -12.947 4.679 1.747 1.00 0.00 C ATOM 1230 C GLN B 19 -12.960 3.257 2.321 1.00 0.00 C ATOM 1231 O GLN B 19 -12.679 3.062 3.504 1.00 0.00 O ATOM 1232 CB GLN B 19 -14.370 5.099 1.346 1.00 0.00 C ATOM 1233 CG GLN B 19 -15.455 4.167 1.862 1.00 0.00 C ATOM 1234 CD GLN B 19 -16.810 4.424 1.238 1.00 0.00 C ATOM 1235 OE1 GLN B 19 -17.148 5.554 0.895 1.00 0.00 O ATOM 1236 NE2 GLN B 19 -17.585 3.363 1.063 1.00 0.00 N ATOM 0 H GLN B 19 -12.519 5.236 -0.222 1.00 0.00 H new ATOM 0 HA GLN B 19 -12.564 5.333 2.531 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -14.561 6.105 1.720 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -14.432 5.146 0.259 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -15.162 3.136 1.666 1.00 0.00 H new ATOM 0 HG3 GLN B 19 -15.534 4.276 2.944 1.00 0.00 H new ATOM 0 HE21 GLN B 19 -17.265 2.442 1.363 1.00 0.00 H new ATOM 0 HE22 GLN B 19 -18.502 3.467 0.628 1.00 0.00 H new ATOM 1245 N GLU B 20 -13.283 2.281 1.467 1.00 0.00 N ATOM 1246 CA GLU B 20 -13.422 0.876 1.867 1.00 0.00 C ATOM 1247 C GLU B 20 -12.240 0.404 2.704 1.00 0.00 C ATOM 1248 O GLU B 20 -12.404 -0.330 3.684 1.00 0.00 O ATOM 1249 CB GLU B 20 -13.561 0.004 0.619 1.00 0.00 C ATOM 1250 CG GLU B 20 -14.741 0.391 -0.259 1.00 0.00 C ATOM 1251 CD GLU B 20 -16.077 0.121 0.402 1.00 0.00 C ATOM 1252 OE1 GLU B 20 -16.450 0.861 1.337 1.00 0.00 O ATOM 1253 OE2 GLU B 20 -16.763 -0.835 -0.015 1.00 0.00 O ATOM 0 H GLU B 20 -13.456 2.443 0.475 1.00 0.00 H new ATOM 0 HA GLU B 20 -14.315 0.788 2.485 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -12.644 0.072 0.033 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -13.669 -1.037 0.922 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -14.671 1.450 -0.508 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -14.687 -0.161 -1.197 1.00 0.00 H new ATOM 1260 N TRP B 21 -11.066 0.901 2.363 1.00 0.00 N ATOM 1261 CA TRP B 21 -9.857 0.501 3.041 1.00 0.00 C ATOM 1262 C TRP B 21 -9.802 1.158 4.398 1.00 0.00 C ATOM 1263 O TRP B 21 -9.712 0.484 5.414 1.00 0.00 O ATOM 1264 CB TRP B 21 -8.635 0.924 2.236 1.00 0.00 C ATOM 1265 CG TRP B 21 -8.386 0.106 1.008 1.00 0.00 C ATOM 1266 CD1 TRP B 21 -9.247 -0.143 -0.024 1.00 0.00 C ATOM 1267 CD2 TRP B 21 -7.167 -0.551 0.682 1.00 0.00 C ATOM 1268 NE1 TRP B 21 -8.626 -0.921 -0.974 1.00 0.00 N ATOM 1269 CE2 TRP B 21 -7.346 -1.182 -0.560 1.00 0.00 C ATOM 1270 CE3 TRP B 21 -5.936 -0.662 1.325 1.00 0.00 C ATOM 1271 CZ2 TRP B 21 -6.333 -1.916 -1.171 1.00 0.00 C ATOM 1272 CZ3 TRP B 21 -4.934 -1.389 0.722 1.00 0.00 C ATOM 1273 CH2 TRP B 21 -5.133 -2.004 -0.512 1.00 0.00 C ATOM 0 H TRP B 21 -10.928 1.584 1.618 1.00 0.00 H new ATOM 0 HA TRP B 21 -9.858 -0.584 3.149 1.00 0.00 H new ATOM 0 HB2 TRP B 21 -8.752 1.968 1.944 1.00 0.00 H new ATOM 0 HB3 TRP B 21 -7.756 0.869 2.878 1.00 0.00 H new ATOM 0 HD1 TRP B 21 -10.263 0.217 -0.085 1.00 0.00 H new ATOM 0 HE1 TRP B 21 -9.048 -1.249 -1.843 1.00 0.00 H new ATOM 0 HE3 TRP B 21 -5.770 -0.186 2.280 1.00 0.00 H new ATOM 0 HZ2 TRP B 21 -6.486 -2.397 -2.126 1.00 0.00 H new ATOM 0 HZ3 TRP B 21 -3.977 -1.484 1.214 1.00 0.00 H new ATOM 0 HH2 TRP B 21 -4.324 -2.563 -0.960 1.00 0.00 H new ATOM 1284 N HIS B 22 -9.912 2.476 4.406 1.00 0.00 N ATOM 1285 CA HIS B 22 -9.818 3.237 5.640 1.00 0.00 C ATOM 1286 C HIS B 22 -10.879 2.798 6.637 1.00 0.00 C ATOM 1287 O HIS B 22 -10.594 2.668 7.816 1.00 0.00 O ATOM 1288 CB HIS B 22 -9.923 4.738 5.362 1.00 0.00 C ATOM 1289 CG HIS B 22 -8.655 5.326 4.814 1.00 0.00 C ATOM 1290 ND1 HIS B 22 -7.958 6.334 5.445 1.00 0.00 N ATOM 1291 CD2 HIS B 22 -7.946 5.029 3.698 1.00 0.00 C ATOM 1292 CE1 HIS B 22 -6.879 6.629 4.745 1.00 0.00 C ATOM 1293 NE2 HIS B 22 -6.848 5.854 3.679 1.00 0.00 N ATOM 0 H HIS B 22 -10.067 3.041 3.571 1.00 0.00 H new ATOM 0 HA HIS B 22 -8.841 3.039 6.081 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -10.733 4.915 4.655 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -10.187 5.255 6.285 1.00 0.00 H new ATOM 0 HD1 HIS B 22 -8.234 6.783 6.318 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -8.198 4.282 2.960 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -6.145 7.379 5.002 1.00 0.00 H new ATOM 1302 N ASP B 23 -12.084 2.531 6.156 1.00 0.00 N ATOM 1303 CA ASP B 23 -13.181 2.122 7.033 1.00 0.00 C ATOM 1304 C ASP B 23 -12.829 0.848 7.800 1.00 0.00 C ATOM 1305 O ASP B 23 -12.841 0.832 9.038 1.00 0.00 O ATOM 1306 CB ASP B 23 -14.468 1.904 6.234 1.00 0.00 C ATOM 1307 CG ASP B 23 -15.641 1.540 7.126 1.00 0.00 C ATOM 1308 OD1 ASP B 23 -16.224 2.453 7.747 1.00 0.00 O ATOM 1309 OD2 ASP B 23 -15.986 0.343 7.212 1.00 0.00 O ATOM 0 H ASP B 23 -12.331 2.589 5.168 1.00 0.00 H new ATOM 0 HA ASP B 23 -13.342 2.927 7.750 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.705 2.810 5.676 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -14.310 1.111 5.503 1.00 0.00 H new ATOM 1314 N ARG B 24 -12.462 -0.202 7.067 1.00 0.00 N ATOM 1315 CA ARG B 24 -12.200 -1.494 7.693 1.00 0.00 C ATOM 1316 C ARG B 24 -10.875 -1.461 8.450 1.00 0.00 C ATOM 1317 O ARG B 24 -10.753 -2.034 9.539 1.00 0.00 O ATOM 1318 CB ARG B 24 -12.185 -2.623 6.653 1.00 0.00 C ATOM 1319 CG ARG B 24 -13.564 -3.059 6.156 1.00 0.00 C ATOM 1320 CD ARG B 24 -14.282 -1.952 5.404 1.00 0.00 C ATOM 1321 NE ARG B 24 -15.486 -2.420 4.720 1.00 0.00 N ATOM 1322 CZ ARG B 24 -16.164 -1.688 3.837 1.00 0.00 C ATOM 1323 NH1 ARG B 24 -15.782 -0.446 3.572 1.00 0.00 N ATOM 1324 NH2 ARG B 24 -17.233 -2.185 3.233 1.00 0.00 N ATOM 0 H ARG B 24 -12.341 -0.184 6.054 1.00 0.00 H new ATOM 0 HA ARG B 24 -13.007 -1.692 8.398 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -11.592 -2.301 5.797 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -11.680 -3.488 7.084 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -13.456 -3.926 5.505 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -14.172 -3.372 7.005 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -14.551 -1.160 6.103 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -13.601 -1.515 4.673 1.00 0.00 H new ATOM 0 HE ARG B 24 -15.826 -3.358 4.930 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -14.969 -0.051 4.044 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -16.301 0.114 2.896 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -17.542 -3.134 3.443 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -17.747 -1.619 2.558 1.00 0.00 H new ATOM 1338 N LEU B 25 -9.896 -0.760 7.886 1.00 0.00 N ATOM 1339 CA LEU B 25 -8.583 -0.645 8.505 1.00 0.00 C ATOM 1340 C LEU B 25 -8.671 0.095 9.826 1.00 0.00 C ATOM 1341 O LEU B 25 -8.085 -0.330 10.811 1.00 0.00 O ATOM 1342 CB LEU B 25 -7.597 0.083 7.588 1.00 0.00 C ATOM 1343 CG LEU B 25 -7.179 -0.684 6.331 1.00 0.00 C ATOM 1344 CD1 LEU B 25 -6.200 0.139 5.508 1.00 0.00 C ATOM 1345 CD2 LEU B 25 -6.566 -2.026 6.701 1.00 0.00 C ATOM 0 H LEU B 25 -9.989 -0.263 7.000 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.222 -1.658 8.680 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -8.042 1.030 7.284 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -6.702 0.321 8.162 1.00 0.00 H new ATOM 0 HG LEU B 25 -8.069 -0.868 5.729 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -5.913 -0.421 4.618 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -6.672 1.076 5.211 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -5.313 0.352 6.104 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -6.275 -2.556 5.794 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -5.687 -1.865 7.324 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -7.296 -2.620 7.250 1.00 0.00 H new ATOM 1357 N MET B 26 -9.403 1.204 9.843 1.00 0.00 N ATOM 1358 CA MET B 26 -9.521 2.016 11.048 1.00 0.00 C ATOM 1359 C MET B 26 -10.191 1.254 12.173 1.00 0.00 C ATOM 1360 O MET B 26 -9.847 1.451 13.330 1.00 0.00 O ATOM 1361 CB MET B 26 -10.268 3.325 10.783 1.00 0.00 C ATOM 1362 CG MET B 26 -9.468 4.315 9.955 1.00 0.00 C ATOM 1363 SD MET B 26 -10.303 5.903 9.754 1.00 0.00 S ATOM 1364 CE MET B 26 -11.876 5.391 9.060 1.00 0.00 C ATOM 0 H MET B 26 -9.921 1.560 9.040 1.00 0.00 H new ATOM 0 HA MET B 26 -8.504 2.261 11.356 1.00 0.00 H new ATOM 0 HB2 MET B 26 -11.203 3.104 10.269 1.00 0.00 H new ATOM 0 HB3 MET B 26 -10.529 3.786 11.736 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.500 4.477 10.428 1.00 0.00 H new ATOM 0 HG3 MET B 26 -9.274 3.885 8.972 1.00 0.00 H new ATOM 0 HE1 MET B 26 -12.477 6.271 8.833 1.00 0.00 H new ATOM 0 HE2 MET B 26 -11.703 4.824 8.145 1.00 0.00 H new ATOM 0 HE3 MET B 26 -12.405 4.766 9.779 1.00 0.00 H new ATOM 1374 N GLU B 27 -11.134 0.381 11.846 1.00 0.00 N ATOM 1375 CA GLU B 27 -11.783 -0.422 12.876 1.00 0.00 C ATOM 1376 C GLU B 27 -10.755 -1.309 13.572 1.00 0.00 C ATOM 1377 O GLU B 27 -10.669 -1.342 14.806 1.00 0.00 O ATOM 1378 CB GLU B 27 -12.904 -1.266 12.274 1.00 0.00 C ATOM 1379 CG GLU B 27 -13.669 -2.081 13.303 1.00 0.00 C ATOM 1380 CD GLU B 27 -14.887 -2.761 12.719 1.00 0.00 C ATOM 1381 OE1 GLU B 27 -15.970 -2.139 12.715 1.00 0.00 O ATOM 1382 OE2 GLU B 27 -14.771 -3.913 12.254 1.00 0.00 O ATOM 0 H GLU B 27 -11.463 0.212 10.895 1.00 0.00 H new ATOM 0 HA GLU B 27 -12.224 0.247 13.615 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -13.600 -0.611 11.751 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -12.481 -1.941 11.530 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -13.007 -2.834 13.729 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -13.978 -1.429 14.120 1.00 0.00 H new ATOM 1389 N ILE B 28 -9.949 -1.993 12.775 1.00 0.00 N ATOM 1390 CA ILE B 28 -8.875 -2.817 13.306 1.00 0.00 C ATOM 1391 C ILE B 28 -7.851 -1.932 14.018 1.00 0.00 C ATOM 1392 O ILE B 28 -7.299 -2.295 15.058 1.00 0.00 O ATOM 1393 CB ILE B 28 -8.179 -3.614 12.181 1.00 0.00 C ATOM 1394 CG1 ILE B 28 -9.200 -4.482 11.440 1.00 0.00 C ATOM 1395 CG2 ILE B 28 -7.053 -4.469 12.745 1.00 0.00 C ATOM 1396 CD1 ILE B 28 -8.619 -5.234 10.261 1.00 0.00 C ATOM 0 H ILE B 28 -10.018 -1.994 11.757 1.00 0.00 H new ATOM 0 HA ILE B 28 -9.305 -3.526 14.014 1.00 0.00 H new ATOM 0 HB ILE B 28 -7.744 -2.909 11.473 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -9.631 -5.198 12.140 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -10.015 -3.849 11.090 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -6.576 -5.022 11.936 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -6.317 -3.828 13.229 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -7.459 -5.170 13.474 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -9.401 -5.827 9.786 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -8.214 -4.524 9.540 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -7.823 -5.894 10.607 1.00 0.00 H new ATOM 1408 N ALA B 29 -7.638 -0.753 13.449 1.00 0.00 N ATOM 1409 CA ALA B 29 -6.680 0.216 13.960 1.00 0.00 C ATOM 1410 C ALA B 29 -7.066 0.719 15.347 1.00 0.00 C ATOM 1411 O ALA B 29 -6.205 1.124 16.123 1.00 0.00 O ATOM 1412 CB ALA B 29 -6.547 1.378 12.987 1.00 0.00 C ATOM 0 H ALA B 29 -8.130 -0.440 12.612 1.00 0.00 H new ATOM 0 HA ALA B 29 -5.716 -0.284 14.055 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -5.828 2.099 13.377 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -6.202 1.007 12.022 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -7.516 1.862 12.864 1.00 0.00 H new ATOM 1418 N LYS B 30 -8.350 0.676 15.669 1.00 0.00 N ATOM 1419 CA LYS B 30 -8.804 1.124 16.979 1.00 0.00 C ATOM 1420 C LYS B 30 -8.538 0.035 17.993 1.00 0.00 C ATOM 1421 O LYS B 30 -8.008 0.288 19.073 1.00 0.00 O ATOM 1422 CB LYS B 30 -10.299 1.447 16.969 1.00 0.00 C ATOM 1423 CG LYS B 30 -10.703 2.465 15.916 1.00 0.00 C ATOM 1424 CD LYS B 30 -12.210 2.580 15.800 1.00 0.00 C ATOM 1425 CE LYS B 30 -12.610 3.294 14.520 1.00 0.00 C ATOM 1426 NZ LYS B 30 -14.082 3.326 14.350 1.00 0.00 N ATOM 0 H LYS B 30 -9.089 0.340 15.051 1.00 0.00 H new ATOM 0 HA LYS B 30 -8.260 2.032 17.240 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -10.858 0.526 16.803 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -10.586 1.822 17.951 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -10.282 3.438 16.169 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -10.284 2.178 14.952 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -12.656 1.585 15.819 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -12.603 3.122 16.660 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -12.223 4.313 14.535 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -12.155 2.792 13.666 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -14.319 3.821 13.466 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -14.448 2.353 14.311 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -14.513 3.826 15.153 1.00 0.00 H new ATOM 1440 N GLU B 31 -8.885 -1.183 17.620 1.00 0.00 N ATOM 1441 CA GLU B 31 -8.675 -2.332 18.483 1.00 0.00 C ATOM 1442 C GLU B 31 -7.182 -2.545 18.765 1.00 0.00 C ATOM 1443 O GLU B 31 -6.794 -2.918 19.873 1.00 0.00 O ATOM 1444 CB GLU B 31 -9.288 -3.579 17.847 1.00 0.00 C ATOM 1445 CG GLU B 31 -9.126 -4.834 18.684 1.00 0.00 C ATOM 1446 CD GLU B 31 -9.820 -6.027 18.074 1.00 0.00 C ATOM 1447 OE1 GLU B 31 -9.508 -6.370 16.917 1.00 0.00 O ATOM 1448 OE2 GLU B 31 -10.676 -6.635 18.752 1.00 0.00 O ATOM 0 H GLU B 31 -9.315 -1.403 16.722 1.00 0.00 H new ATOM 0 HA GLU B 31 -9.168 -2.143 19.437 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -10.350 -3.403 17.674 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -8.829 -3.742 16.872 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -8.065 -5.055 18.801 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -9.526 -4.656 19.682 1.00 0.00 H new ATOM 1455 N LYS B 32 -6.350 -2.292 17.758 1.00 0.00 N ATOM 1456 CA LYS B 32 -4.907 -2.497 17.885 1.00 0.00 C ATOM 1457 C LYS B 32 -4.161 -1.212 18.273 1.00 0.00 C ATOM 1458 O LYS B 32 -2.945 -1.235 18.481 1.00 0.00 O ATOM 1459 CB LYS B 32 -4.319 -3.058 16.584 1.00 0.00 C ATOM 1460 CG LYS B 32 -4.398 -4.577 16.453 1.00 0.00 C ATOM 1461 CD LYS B 32 -5.821 -5.080 16.244 1.00 0.00 C ATOM 1462 CE LYS B 32 -5.843 -6.593 16.075 1.00 0.00 C ATOM 1463 NZ LYS B 32 -7.213 -7.131 15.850 1.00 0.00 N ATOM 0 H LYS B 32 -6.648 -1.945 16.846 1.00 0.00 H new ATOM 0 HA LYS B 32 -4.769 -3.218 18.690 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -4.841 -2.606 15.740 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -3.275 -2.754 16.512 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -3.778 -4.897 15.616 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -3.984 -5.036 17.350 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -6.440 -4.796 17.095 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -6.253 -4.605 15.363 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -5.207 -6.869 15.234 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -5.416 -7.059 16.963 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -7.246 -8.129 16.140 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -7.897 -6.584 16.411 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -7.454 -7.056 14.841 1.00 0.00 H new ATOM 1477 N ASN B 33 -4.893 -0.098 18.353 1.00 0.00 N ATOM 1478 CA ASN B 33 -4.318 1.213 18.709 1.00 0.00 C ATOM 1479 C ASN B 33 -3.245 1.655 17.716 1.00 0.00 C ATOM 1480 O ASN B 33 -2.229 2.238 18.094 1.00 0.00 O ATOM 1481 CB ASN B 33 -3.743 1.201 20.133 1.00 0.00 C ATOM 1482 CG ASN B 33 -4.810 1.374 21.198 1.00 0.00 C ATOM 1483 OD1 ASN B 33 -5.830 2.028 20.972 1.00 0.00 O ATOM 1484 ND2 ASN B 33 -4.583 0.799 22.368 1.00 0.00 N ATOM 0 H ASN B 33 -5.897 -0.073 18.175 1.00 0.00 H new ATOM 0 HA ASN B 33 -5.134 1.934 18.667 1.00 0.00 H new ATOM 0 HB2 ASN B 33 -3.218 0.261 20.300 1.00 0.00 H new ATOM 0 HB3 ASN B 33 -3.007 1.999 20.230 1.00 0.00 H new ATOM 0 HD21 ASN B 33 -5.265 0.889 23.121 1.00 0.00 H new ATOM 0 HD22 ASN B 33 -3.726 0.266 22.516 1.00 0.00 H new ATOM 1491 N LEU B 34 -3.493 1.399 16.446 1.00 0.00 N ATOM 1492 CA LEU B 34 -2.561 1.748 15.384 1.00 0.00 C ATOM 1493 C LEU B 34 -3.221 2.702 14.402 1.00 0.00 C ATOM 1494 O LEU B 34 -4.431 2.912 14.450 1.00 0.00 O ATOM 1495 CB LEU B 34 -2.108 0.490 14.634 1.00 0.00 C ATOM 1496 CG LEU B 34 -1.228 -0.470 15.431 1.00 0.00 C ATOM 1497 CD1 LEU B 34 -0.986 -1.746 14.642 1.00 0.00 C ATOM 1498 CD2 LEU B 34 0.095 0.188 15.783 1.00 0.00 C ATOM 0 H LEU B 34 -4.345 0.944 16.118 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.694 2.230 15.836 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.993 -0.050 14.298 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.564 0.797 13.741 1.00 0.00 H new ATOM 0 HG LEU B 34 -1.746 -0.724 16.356 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -0.357 -2.420 15.224 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -1.940 -2.230 14.432 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -0.487 -1.504 13.703 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.709 -0.511 16.351 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.617 0.469 14.868 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.090 1.079 16.383 1.00 0.00 H new ATOM 1510 N THR B 35 -2.423 3.305 13.542 1.00 0.00 N ATOM 1511 CA THR B 35 -2.956 4.009 12.390 1.00 0.00 C ATOM 1512 C THR B 35 -2.663 3.179 11.157 1.00 0.00 C ATOM 1513 O THR B 35 -1.688 2.428 11.125 1.00 0.00 O ATOM 1514 CB THR B 35 -2.356 5.425 12.228 1.00 0.00 C ATOM 1515 OG1 THR B 35 -0.938 5.353 12.027 1.00 0.00 O ATOM 1516 CG2 THR B 35 -2.657 6.287 13.444 1.00 0.00 C ATOM 0 H THR B 35 -1.406 3.322 13.618 1.00 0.00 H new ATOM 0 HA THR B 35 -4.029 4.142 12.531 1.00 0.00 H new ATOM 0 HB THR B 35 -2.817 5.882 11.353 1.00 0.00 H new ATOM 0 HG1 THR B 35 -0.499 5.127 12.873 1.00 0.00 H new ATOM 0 HG21 THR B 35 -2.224 7.277 13.304 1.00 0.00 H new ATOM 0 HG22 THR B 35 -3.736 6.377 13.568 1.00 0.00 H new ATOM 0 HG23 THR B 35 -2.227 5.825 14.333 1.00 0.00 H new ATOM 1524 N LEU B 36 -3.526 3.288 10.160 1.00 0.00 N ATOM 1525 CA LEU B 36 -3.417 2.473 8.960 1.00 0.00 C ATOM 1526 C LEU B 36 -2.133 2.779 8.200 1.00 0.00 C ATOM 1527 O LEU B 36 -1.649 1.951 7.431 1.00 0.00 O ATOM 1528 CB LEU B 36 -4.661 2.648 8.084 1.00 0.00 C ATOM 1529 CG LEU B 36 -5.048 4.082 7.743 1.00 0.00 C ATOM 1530 CD1 LEU B 36 -4.356 4.552 6.472 1.00 0.00 C ATOM 1531 CD2 LEU B 36 -6.556 4.203 7.618 1.00 0.00 C ATOM 0 H LEU B 36 -4.314 3.936 10.158 1.00 0.00 H new ATOM 0 HA LEU B 36 -3.364 1.425 9.255 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.503 2.105 7.152 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -5.504 2.176 8.588 1.00 0.00 H new ATOM 0 HG LEU B 36 -4.715 4.728 8.555 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -4.652 5.578 6.255 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -3.275 4.507 6.608 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -4.644 3.908 5.641 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -6.819 5.232 7.374 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -6.910 3.541 6.828 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -7.023 3.923 8.562 1.00 0.00 H new ATOM 1543 N SER B 37 -1.593 3.972 8.418 1.00 0.00 N ATOM 1544 CA SER B 37 -0.265 4.321 7.931 1.00 0.00 C ATOM 1545 C SER B 37 0.771 3.359 8.514 1.00 0.00 C ATOM 1546 O SER B 37 1.608 2.804 7.788 1.00 0.00 O ATOM 1547 CB SER B 37 0.065 5.761 8.323 1.00 0.00 C ATOM 1548 OG SER B 37 -0.990 6.634 7.964 1.00 0.00 O ATOM 0 H SER B 37 -2.059 4.719 8.933 1.00 0.00 H new ATOM 0 HA SER B 37 -0.245 4.239 6.844 1.00 0.00 H new ATOM 0 HB2 SER B 37 0.241 5.819 9.397 1.00 0.00 H new ATOM 0 HB3 SER B 37 0.986 6.075 7.831 1.00 0.00 H new ATOM 0 HG SER B 37 -0.760 7.550 8.225 1.00 0.00 H new ATOM 1554 N ASP B 38 0.684 3.143 9.828 1.00 0.00 N ATOM 1555 CA ASP B 38 1.577 2.217 10.520 1.00 0.00 C ATOM 1556 C ASP B 38 1.350 0.809 10.007 1.00 0.00 C ATOM 1557 O ASP B 38 2.293 0.105 9.673 1.00 0.00 O ATOM 1558 CB ASP B 38 1.353 2.227 12.041 1.00 0.00 C ATOM 1559 CG ASP B 38 1.586 3.578 12.684 1.00 0.00 C ATOM 1560 OD1 ASP B 38 2.634 4.206 12.424 1.00 0.00 O ATOM 1561 OD2 ASP B 38 0.722 4.011 13.480 1.00 0.00 O ATOM 0 H ASP B 38 0.002 3.599 10.434 1.00 0.00 H new ATOM 0 HA ASP B 38 2.598 2.542 10.321 1.00 0.00 H new ATOM 0 HB2 ASP B 38 0.333 1.906 12.251 1.00 0.00 H new ATOM 0 HB3 ASP B 38 2.018 1.496 12.502 1.00 0.00 H new ATOM 1566 N VAL B 39 0.085 0.423 9.912 1.00 0.00 N ATOM 1567 CA VAL B 39 -0.274 -0.927 9.492 1.00 0.00 C ATOM 1568 C VAL B 39 0.230 -1.205 8.080 1.00 0.00 C ATOM 1569 O VAL B 39 0.636 -2.320 7.773 1.00 0.00 O ATOM 1570 CB VAL B 39 -1.803 -1.153 9.544 1.00 0.00 C ATOM 1571 CG1 VAL B 39 -2.153 -2.596 9.214 1.00 0.00 C ATOM 1572 CG2 VAL B 39 -2.355 -0.772 10.908 1.00 0.00 C ATOM 0 H VAL B 39 -0.711 1.025 10.120 1.00 0.00 H new ATOM 0 HA VAL B 39 0.202 -1.616 10.190 1.00 0.00 H new ATOM 0 HB VAL B 39 -2.263 -0.511 8.792 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -3.234 -2.727 9.258 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -1.799 -2.836 8.212 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -1.677 -3.260 9.936 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -3.432 -0.938 10.924 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -1.882 -1.384 11.676 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -2.147 0.280 11.104 1.00 0.00 H new ATOM 1582 N CYS B 40 0.236 -0.179 7.240 1.00 0.00 N ATOM 1583 CA CYS B 40 0.679 -0.326 5.862 1.00 0.00 C ATOM 1584 C CYS B 40 2.172 -0.704 5.815 1.00 0.00 C ATOM 1585 O CYS B 40 2.529 -1.785 5.339 1.00 0.00 O ATOM 1586 CB CYS B 40 0.398 0.970 5.082 1.00 0.00 C ATOM 1587 SG CYS B 40 -0.062 0.726 3.359 1.00 0.00 S ATOM 0 H CYS B 40 -0.061 0.764 7.490 1.00 0.00 H new ATOM 0 HA CYS B 40 0.121 -1.134 5.388 1.00 0.00 H new ATOM 0 HB2 CYS B 40 -0.402 1.514 5.584 1.00 0.00 H new ATOM 0 HB3 CYS B 40 1.286 1.601 5.121 1.00 0.00 H new ATOM 0 HG CYS B 40 0.807 1.312 2.591 1.00 0.00 H new ATOM 1593 N ARG B 41 3.043 0.169 6.333 1.00 0.00 N ATOM 1594 CA ARG B 41 4.479 -0.120 6.402 1.00 0.00 C ATOM 1595 C ARG B 41 4.786 -1.364 7.254 1.00 0.00 C ATOM 1596 O ARG B 41 5.718 -2.111 6.956 1.00 0.00 O ATOM 1597 CB ARG B 41 5.248 1.112 6.917 1.00 0.00 C ATOM 1598 CG ARG B 41 4.693 1.713 8.205 1.00 0.00 C ATOM 1599 CD ARG B 41 5.225 1.012 9.448 1.00 0.00 C ATOM 1600 NE ARG B 41 6.572 1.451 9.804 1.00 0.00 N ATOM 1601 CZ ARG B 41 7.561 0.631 10.153 1.00 0.00 C ATOM 1602 NH1 ARG B 41 7.402 -0.687 10.077 1.00 0.00 N ATOM 1603 NH2 ARG B 41 8.715 1.137 10.559 1.00 0.00 N ATOM 0 H ARG B 41 2.779 1.079 6.710 1.00 0.00 H new ATOM 0 HA ARG B 41 4.817 -0.346 5.391 1.00 0.00 H new ATOM 0 HB2 ARG B 41 6.289 0.832 7.081 1.00 0.00 H new ATOM 0 HB3 ARG B 41 5.242 1.878 6.142 1.00 0.00 H new ATOM 0 HG2 ARG B 41 4.950 2.771 8.250 1.00 0.00 H new ATOM 0 HG3 ARG B 41 3.605 1.650 8.193 1.00 0.00 H new ATOM 0 HD2 ARG B 41 4.552 1.201 10.284 1.00 0.00 H new ATOM 0 HD3 ARG B 41 5.230 -0.065 9.280 1.00 0.00 H new ATOM 0 HE ARG B 41 6.768 2.452 9.784 1.00 0.00 H new ATOM 0 HH11 ARG B 41 6.518 -1.076 9.750 1.00 0.00 H new ATOM 0 HH12 ARG B 41 8.164 -1.309 10.346 1.00 0.00 H new ATOM 0 HH21 ARG B 41 8.841 2.148 10.603 1.00 0.00 H new ATOM 0 HH22 ARG B 41 9.478 0.516 10.828 1.00 0.00 H new ATOM 1617 N LEU B 42 3.997 -1.603 8.299 1.00 0.00 N ATOM 1618 CA LEU B 42 4.193 -2.787 9.138 1.00 0.00 C ATOM 1619 C LEU B 42 3.872 -4.044 8.350 1.00 0.00 C ATOM 1620 O LEU B 42 4.491 -5.092 8.545 1.00 0.00 O ATOM 1621 CB LEU B 42 3.317 -2.735 10.395 1.00 0.00 C ATOM 1622 CG LEU B 42 3.770 -1.749 11.476 1.00 0.00 C ATOM 1623 CD1 LEU B 42 2.756 -1.695 12.606 1.00 0.00 C ATOM 1624 CD2 LEU B 42 5.140 -2.133 12.014 1.00 0.00 C ATOM 0 H LEU B 42 3.224 -1.002 8.584 1.00 0.00 H new ATOM 0 HA LEU B 42 5.238 -2.803 9.448 1.00 0.00 H new ATOM 0 HB2 LEU B 42 2.300 -2.478 10.097 1.00 0.00 H new ATOM 0 HB3 LEU B 42 3.279 -3.733 10.831 1.00 0.00 H new ATOM 0 HG LEU B 42 3.842 -0.759 11.025 1.00 0.00 H new ATOM 0 HD11 LEU B 42 3.094 -0.990 13.365 1.00 0.00 H new ATOM 0 HD12 LEU B 42 1.792 -1.372 12.214 1.00 0.00 H new ATOM 0 HD13 LEU B 42 2.654 -2.685 13.051 1.00 0.00 H new ATOM 0 HD21 LEU B 42 5.443 -1.420 12.781 1.00 0.00 H new ATOM 0 HD22 LEU B 42 5.094 -3.133 12.446 1.00 0.00 H new ATOM 0 HD23 LEU B 42 5.866 -2.122 11.201 1.00 0.00 H new ATOM 1636 N ALA B 43 2.909 -3.927 7.451 1.00 0.00 N ATOM 1637 CA ALA B 43 2.523 -5.033 6.604 1.00 0.00 C ATOM 1638 C ALA B 43 3.551 -5.271 5.515 1.00 0.00 C ATOM 1639 O ALA B 43 3.597 -6.349 4.949 1.00 0.00 O ATOM 1640 CB ALA B 43 1.156 -4.796 6.002 1.00 0.00 C ATOM 0 H ALA B 43 2.380 -3.070 7.292 1.00 0.00 H new ATOM 0 HA ALA B 43 2.475 -5.928 7.224 1.00 0.00 H new ATOM 0 HB1 ALA B 43 0.886 -5.641 5.368 1.00 0.00 H new ATOM 0 HB2 ALA B 43 0.420 -4.691 6.800 1.00 0.00 H new ATOM 0 HB3 ALA B 43 1.175 -3.885 5.404 1.00 0.00 H new ATOM 1646 N ILE B 44 4.366 -4.262 5.200 1.00 0.00 N ATOM 1647 CA ILE B 44 5.460 -4.461 4.253 1.00 0.00 C ATOM 1648 C ILE B 44 6.497 -5.365 4.885 1.00 0.00 C ATOM 1649 O ILE B 44 7.067 -6.243 4.235 1.00 0.00 O ATOM 1650 CB ILE B 44 6.149 -3.148 3.824 1.00 0.00 C ATOM 1651 CG1 ILE B 44 5.136 -2.137 3.292 1.00 0.00 C ATOM 1652 CG2 ILE B 44 7.199 -3.438 2.758 1.00 0.00 C ATOM 1653 CD1 ILE B 44 5.766 -0.820 2.881 1.00 0.00 C ATOM 0 H ILE B 44 4.291 -3.318 5.579 1.00 0.00 H new ATOM 0 HA ILE B 44 5.025 -4.904 3.357 1.00 0.00 H new ATOM 0 HB ILE B 44 6.629 -2.716 4.702 1.00 0.00 H new ATOM 0 HG12 ILE B 44 4.618 -2.568 2.435 1.00 0.00 H new ATOM 0 HG13 ILE B 44 4.383 -1.949 4.058 1.00 0.00 H new ATOM 0 HG21 ILE B 44 7.681 -2.507 2.460 1.00 0.00 H new ATOM 0 HG22 ILE B 44 7.947 -4.122 3.160 1.00 0.00 H new ATOM 0 HG23 ILE B 44 6.721 -3.893 1.891 1.00 0.00 H new ATOM 0 HD11 ILE B 44 4.993 -0.146 2.512 1.00 0.00 H new ATOM 0 HD12 ILE B 44 6.260 -0.369 3.741 1.00 0.00 H new ATOM 0 HD13 ILE B 44 6.499 -0.997 2.094 1.00 0.00 H new ATOM 1665 N LYS B 45 6.733 -5.142 6.171 1.00 0.00 N ATOM 1666 CA LYS B 45 7.618 -5.997 6.935 1.00 0.00 C ATOM 1667 C LYS B 45 7.139 -7.442 6.862 1.00 0.00 C ATOM 1668 O LYS B 45 7.927 -8.352 6.609 1.00 0.00 O ATOM 1669 CB LYS B 45 7.685 -5.548 8.394 1.00 0.00 C ATOM 1670 CG LYS B 45 8.461 -6.511 9.277 1.00 0.00 C ATOM 1671 CD LYS B 45 8.160 -6.295 10.746 1.00 0.00 C ATOM 1672 CE LYS B 45 8.677 -7.451 11.585 1.00 0.00 C ATOM 1673 NZ LYS B 45 8.207 -8.764 11.063 1.00 0.00 N ATOM 0 H LYS B 45 6.322 -4.375 6.703 1.00 0.00 H new ATOM 0 HA LYS B 45 8.617 -5.924 6.505 1.00 0.00 H new ATOM 0 HB2 LYS B 45 8.149 -4.563 8.444 1.00 0.00 H new ATOM 0 HB3 LYS B 45 6.672 -5.443 8.783 1.00 0.00 H new ATOM 0 HG2 LYS B 45 8.213 -7.536 9.002 1.00 0.00 H new ATOM 0 HG3 LYS B 45 9.529 -6.384 9.102 1.00 0.00 H new ATOM 0 HD2 LYS B 45 8.618 -5.365 11.081 1.00 0.00 H new ATOM 0 HD3 LYS B 45 7.084 -6.190 10.889 1.00 0.00 H new ATOM 0 HE2 LYS B 45 9.767 -7.433 11.597 1.00 0.00 H new ATOM 0 HE3 LYS B 45 8.345 -7.329 12.616 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 7.972 -9.390 11.859 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 7.362 -8.621 10.474 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 8.959 -9.199 10.491 1.00 0.00 H new ATOM 1687 N GLU B 46 5.841 -7.641 7.067 1.00 0.00 N ATOM 1688 CA GLU B 46 5.253 -8.972 7.001 1.00 0.00 C ATOM 1689 C GLU B 46 5.224 -9.469 5.567 1.00 0.00 C ATOM 1690 O GLU B 46 5.336 -10.658 5.312 1.00 0.00 O ATOM 1691 CB GLU B 46 3.840 -8.977 7.589 1.00 0.00 C ATOM 1692 CG GLU B 46 3.760 -9.544 9.000 1.00 0.00 C ATOM 1693 CD GLU B 46 4.522 -8.723 10.020 1.00 0.00 C ATOM 1694 OE1 GLU B 46 5.767 -8.802 10.057 1.00 0.00 O ATOM 1695 OE2 GLU B 46 3.878 -8.007 10.812 1.00 0.00 O ATOM 0 H GLU B 46 5.177 -6.897 7.280 1.00 0.00 H new ATOM 0 HA GLU B 46 5.873 -9.644 7.594 1.00 0.00 H new ATOM 0 HB2 GLU B 46 3.456 -7.957 7.596 1.00 0.00 H new ATOM 0 HB3 GLU B 46 3.188 -9.558 6.937 1.00 0.00 H new ATOM 0 HG2 GLU B 46 2.714 -9.605 9.301 1.00 0.00 H new ATOM 0 HG3 GLU B 46 4.151 -10.562 8.998 1.00 0.00 H new ATOM 1702 N TYR B 47 5.101 -8.546 4.631 1.00 0.00 N ATOM 1703 CA TYR B 47 5.090 -8.887 3.222 1.00 0.00 C ATOM 1704 C TYR B 47 6.413 -9.540 2.853 1.00 0.00 C ATOM 1705 O TYR B 47 6.457 -10.558 2.155 1.00 0.00 O ATOM 1706 CB TYR B 47 4.858 -7.629 2.375 1.00 0.00 C ATOM 1707 CG TYR B 47 4.819 -7.873 0.881 1.00 0.00 C ATOM 1708 CD1 TYR B 47 3.628 -8.196 0.246 1.00 0.00 C ATOM 1709 CD2 TYR B 47 5.970 -7.775 0.106 1.00 0.00 C ATOM 1710 CE1 TYR B 47 3.582 -8.416 -1.117 1.00 0.00 C ATOM 1711 CE2 TYR B 47 5.931 -7.995 -1.259 1.00 0.00 C ATOM 1712 CZ TYR B 47 4.735 -8.316 -1.864 1.00 0.00 C ATOM 1713 OH TYR B 47 4.690 -8.539 -3.219 1.00 0.00 O ATOM 0 H TYR B 47 5.007 -7.549 4.824 1.00 0.00 H new ATOM 0 HA TYR B 47 4.278 -9.587 3.024 1.00 0.00 H new ATOM 0 HB2 TYR B 47 3.917 -7.170 2.680 1.00 0.00 H new ATOM 0 HB3 TYR B 47 5.648 -6.910 2.592 1.00 0.00 H new ATOM 0 HD1 TYR B 47 2.721 -8.277 0.827 1.00 0.00 H new ATOM 0 HD2 TYR B 47 6.909 -7.523 0.577 1.00 0.00 H new ATOM 0 HE1 TYR B 47 2.646 -8.665 -1.595 1.00 0.00 H new ATOM 0 HE2 TYR B 47 6.833 -7.916 -1.848 1.00 0.00 H new ATOM 0 HH TYR B 47 5.587 -8.428 -3.599 1.00 0.00 H new ATOM 1723 N LEU B 48 7.492 -8.943 3.342 1.00 0.00 N ATOM 1724 CA LEU B 48 8.819 -9.506 3.175 1.00 0.00 C ATOM 1725 C LEU B 48 8.947 -10.780 3.997 1.00 0.00 C ATOM 1726 O LEU B 48 9.440 -11.789 3.516 1.00 0.00 O ATOM 1727 CB LEU B 48 9.890 -8.498 3.604 1.00 0.00 C ATOM 1728 CG LEU B 48 9.781 -7.113 2.962 1.00 0.00 C ATOM 1729 CD1 LEU B 48 10.906 -6.211 3.439 1.00 0.00 C ATOM 1730 CD2 LEU B 48 9.792 -7.218 1.445 1.00 0.00 C ATOM 0 H LEU B 48 7.470 -8.064 3.860 1.00 0.00 H new ATOM 0 HA LEU B 48 8.967 -9.741 2.121 1.00 0.00 H new ATOM 0 HB2 LEU B 48 9.844 -8.383 4.687 1.00 0.00 H new ATOM 0 HB3 LEU B 48 10.870 -8.913 3.369 1.00 0.00 H new ATOM 0 HG LEU B 48 8.832 -6.673 3.268 1.00 0.00 H new ATOM 0 HD11 LEU B 48 10.810 -5.231 2.971 1.00 0.00 H new ATOM 0 HD12 LEU B 48 10.851 -6.103 4.522 1.00 0.00 H new ATOM 0 HD13 LEU B 48 11.865 -6.651 3.167 1.00 0.00 H new ATOM 0 HD21 LEU B 48 9.713 -6.221 1.011 1.00 0.00 H new ATOM 0 HD22 LEU B 48 10.722 -7.684 1.119 1.00 0.00 H new ATOM 0 HD23 LEU B 48 8.948 -7.825 1.116 1.00 0.00 H new ATOM 1742 N ASP B 49 8.459 -10.723 5.227 1.00 0.00 N ATOM 1743 CA ASP B 49 8.571 -11.829 6.175 1.00 0.00 C ATOM 1744 C ASP B 49 7.867 -13.096 5.679 1.00 0.00 C ATOM 1745 O ASP B 49 8.270 -14.207 6.009 1.00 0.00 O ATOM 1746 CB ASP B 49 8.004 -11.398 7.528 1.00 0.00 C ATOM 1747 CG ASP B 49 8.162 -12.458 8.596 1.00 0.00 C ATOM 1748 OD1 ASP B 49 9.310 -12.871 8.868 1.00 0.00 O ATOM 1749 OD2 ASP B 49 7.141 -12.877 9.176 1.00 0.00 O ATOM 0 H ASP B 49 7.972 -9.908 5.600 1.00 0.00 H new ATOM 0 HA ASP B 49 9.628 -12.076 6.277 1.00 0.00 H new ATOM 0 HB2 ASP B 49 8.504 -10.485 7.852 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.947 -11.159 7.414 1.00 0.00 H new ATOM 1754 N ASN B 50 6.816 -12.926 4.889 1.00 0.00 N ATOM 1755 CA ASN B 50 6.099 -14.064 4.320 1.00 0.00 C ATOM 1756 C ASN B 50 6.874 -14.668 3.160 1.00 0.00 C ATOM 1757 O ASN B 50 6.887 -15.884 2.976 1.00 0.00 O ATOM 1758 CB ASN B 50 4.700 -13.656 3.828 1.00 0.00 C ATOM 1759 CG ASN B 50 3.690 -13.485 4.950 1.00 0.00 C ATOM 1760 OD1 ASN B 50 2.515 -13.823 4.796 1.00 0.00 O ATOM 1761 ND2 ASN B 50 4.123 -12.921 6.060 1.00 0.00 N ATOM 0 H ASN B 50 6.440 -12.015 4.627 1.00 0.00 H new ATOM 0 HA ASN B 50 5.995 -14.804 5.113 1.00 0.00 H new ATOM 0 HB2 ASN B 50 4.777 -12.721 3.273 1.00 0.00 H new ATOM 0 HB3 ASN B 50 4.334 -14.411 3.132 1.00 0.00 H new ATOM 0 HD21 ASN B 50 3.477 -12.750 6.831 1.00 0.00 H new ATOM 0 HD22 ASN B 50 5.104 -12.656 6.148 1.00 0.00 H new ATOM 1768 N HIS B 51 7.537 -13.816 2.394 1.00 0.00 N ATOM 1769 CA HIS B 51 8.175 -14.244 1.156 1.00 0.00 C ATOM 1770 C HIS B 51 9.639 -14.613 1.383 1.00 0.00 C ATOM 1771 O HIS B 51 10.091 -15.682 0.971 1.00 0.00 O ATOM 1772 CB HIS B 51 8.070 -13.139 0.096 1.00 0.00 C ATOM 1773 CG HIS B 51 6.658 -12.787 -0.295 1.00 0.00 C ATOM 1774 ND1 HIS B 51 6.357 -11.896 -1.301 1.00 0.00 N ATOM 1775 CD2 HIS B 51 5.462 -13.196 0.203 1.00 0.00 C ATOM 1776 CE1 HIS B 51 5.046 -11.773 -1.403 1.00 0.00 C ATOM 1777 NE2 HIS B 51 4.477 -12.549 -0.501 1.00 0.00 N ATOM 0 H HIS B 51 7.648 -12.825 2.606 1.00 0.00 H new ATOM 0 HA HIS B 51 7.654 -15.133 0.802 1.00 0.00 H new ATOM 0 HB2 HIS B 51 8.565 -12.243 0.472 1.00 0.00 H new ATOM 0 HB3 HIS B 51 8.614 -13.453 -0.795 1.00 0.00 H new ATOM 0 HD2 HIS B 51 5.313 -13.902 1.007 1.00 0.00 H new ATOM 0 HE1 HIS B 51 4.526 -11.142 -2.108 1.00 0.00 H new ATOM 0 HE2 HIS B 51 3.473 -12.651 -0.352 1.00 0.00 H new