USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=20 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+ -174:sc= 0 (180deg=-0.0552) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= -2.01! K(o=-2!,f=-1.4) USER MOD Single : A 26 MET CE :methyl -161:sc= -0.151 (180deg=-0.703) USER MOD Single : A 30 LYS NZ :NH3+ 167:sc= -0.0118 (180deg=-0.175) USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= 1.14 (180deg=1.03) USER MOD Single : A 33 ASN : amide:sc= -1.59! K(o=-1.6!,f=-0.0054) USER MOD Single : A 35 THR OG1 : rot -75:sc= 1.54 USER MOD Single : A 37 SER OG : rot -139:sc= 0.59! USER MOD Single : A 40 CYS SG : rot 180:sc= -2.14 USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= 1 (180deg=0.887) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 1.9 K(o=1.9,f=-0.33) USER MOD Single : B 12 LYS NZ :NH3+ -168:sc= -0.0162 (180deg=-0.151) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= -0.424 X(o=-0.42,f=0) USER MOD Single : B 22 HIS : no HD1:sc= -9.67! C(o=-9.7!,f=-6.1!) USER MOD Single : B 26 MET CE :methyl -137:sc= -0.287 (180deg=-1.67) USER MOD Single : B 30 LYS NZ :NH3+ 169:sc= -0.0186 (180deg=-0.203) USER MOD Single : B 32 LYS NZ :NH3+ -153:sc= 1.26 (180deg=1.08) USER MOD Single : B 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 35 THR OG1 : rot -83:sc= 1.29 USER MOD Single : B 37 SER OG : rot -151:sc= 0.956 USER MOD Single : B 40 CYS SG : rot 51:sc= -2.05! USER MOD Single : B 45 LYS NZ :NH3+ 177:sc= -0.0831 (180deg=-0.0989) USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 50 ASN : amide:sc= -0.642 K(o=-0.64,f=-3.6!) USER MOD Single : B 51 HIS : no HD1:sc= -0.0219 X(o=-0.022,f=-0.069) USER MOD ----------------------------------------------------------------- ATOM 150 N ILE A 11 -8.282 8.255 0.057 1.00 0.00 N ATOM 151 CA ILE A 11 -7.806 9.268 0.990 1.00 0.00 C ATOM 152 C ILE A 11 -6.293 9.186 1.096 1.00 0.00 C ATOM 153 O ILE A 11 -5.718 8.104 0.952 1.00 0.00 O ATOM 154 CB ILE A 11 -8.448 9.108 2.401 1.00 0.00 C ATOM 155 CG1 ILE A 11 -9.977 9.179 2.326 1.00 0.00 C ATOM 156 CG2 ILE A 11 -7.935 10.172 3.363 1.00 0.00 C ATOM 157 CD1 ILE A 11 -10.639 7.873 1.933 1.00 0.00 C ATOM 0 HA ILE A 11 -8.101 10.245 0.606 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.159 8.126 2.775 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.363 9.492 3.296 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.259 9.948 1.607 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.401 10.035 4.339 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.853 10.083 3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.184 11.161 2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.720 8.008 1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.284 7.567 0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.390 7.104 2.664 1.00 0.00 H new ATOM 169 N LYS A 12 -5.654 10.319 1.344 1.00 0.00 N ATOM 170 CA LYS A 12 -4.206 10.391 1.359 1.00 0.00 C ATOM 171 C LYS A 12 -3.699 10.371 2.787 1.00 0.00 C ATOM 172 O LYS A 12 -4.142 11.145 3.636 1.00 0.00 O ATOM 173 CB LYS A 12 -3.738 11.655 0.626 1.00 0.00 C ATOM 174 CG LYS A 12 -2.226 11.828 0.540 1.00 0.00 C ATOM 175 CD LYS A 12 -1.671 12.592 1.733 1.00 0.00 C ATOM 176 CE LYS A 12 -2.306 13.967 1.860 1.00 0.00 C ATOM 177 NZ LYS A 12 -1.993 14.845 0.697 1.00 0.00 N ATOM 0 H LYS A 12 -6.121 11.205 1.538 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.797 9.524 0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.145 11.642 -0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.160 12.525 1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.752 10.848 0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.973 12.357 -0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.849 12.023 2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.591 12.697 1.628 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.387 13.859 1.950 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.956 14.443 2.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.361 15.801 0.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.963 14.890 0.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.437 14.457 -0.160 1.00 0.00 H new ATOM 191 N LEU A 13 -2.777 9.467 3.038 1.00 0.00 N ATOM 192 CA LEU A 13 -2.246 9.253 4.364 1.00 0.00 C ATOM 193 C LEU A 13 -0.742 9.451 4.373 1.00 0.00 C ATOM 194 O LEU A 13 -0.069 9.230 3.362 1.00 0.00 O ATOM 195 CB LEU A 13 -2.606 7.845 4.860 1.00 0.00 C ATOM 196 CG LEU A 13 -2.595 6.741 3.791 1.00 0.00 C ATOM 197 CD1 LEU A 13 -2.322 5.388 4.429 1.00 0.00 C ATOM 198 CD2 LEU A 13 -3.928 6.707 3.041 1.00 0.00 C ATOM 0 H LEU A 13 -2.374 8.859 2.325 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.692 9.984 5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.908 7.568 5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.598 7.880 5.310 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.799 6.961 3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.317 4.617 3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.353 5.409 4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.100 5.167 5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.902 5.919 2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.737 6.510 3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.097 7.668 2.555 1.00 0.00 H new ATOM 210 N GLY A 14 -0.225 9.879 5.512 1.00 0.00 N ATOM 211 CA GLY A 14 1.195 10.100 5.651 1.00 0.00 C ATOM 212 C GLY A 14 1.862 8.975 6.406 1.00 0.00 C ATOM 213 O GLY A 14 1.637 8.800 7.602 1.00 0.00 O ATOM 0 H GLY A 14 -0.771 10.079 6.350 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.647 10.195 4.664 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.368 11.041 6.172 1.00 0.00 H new ATOM 217 N VAL A 15 2.674 8.208 5.701 1.00 0.00 N ATOM 218 CA VAL A 15 3.355 7.064 6.288 1.00 0.00 C ATOM 219 C VAL A 15 4.819 7.403 6.547 1.00 0.00 C ATOM 220 O VAL A 15 5.448 8.106 5.758 1.00 0.00 O ATOM 221 CB VAL A 15 3.266 5.825 5.366 1.00 0.00 C ATOM 222 CG1 VAL A 15 3.853 4.593 6.040 1.00 0.00 C ATOM 223 CG2 VAL A 15 1.826 5.570 4.945 1.00 0.00 C ATOM 0 H VAL A 15 2.880 8.357 4.713 1.00 0.00 H new ATOM 0 HA VAL A 15 2.861 6.828 7.231 1.00 0.00 H new ATOM 0 HB VAL A 15 3.856 6.031 4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.776 3.739 5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.901 4.773 6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.303 4.383 6.957 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.786 4.694 4.297 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.214 5.395 5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.445 6.438 4.406 1.00 0.00 H new ATOM 233 N TYR A 16 5.341 6.925 7.664 1.00 0.00 N ATOM 234 CA TYR A 16 6.733 7.147 8.020 1.00 0.00 C ATOM 235 C TYR A 16 7.457 5.820 8.172 1.00 0.00 C ATOM 236 O TYR A 16 7.048 4.980 8.976 1.00 0.00 O ATOM 237 CB TYR A 16 6.829 7.923 9.332 1.00 0.00 C ATOM 238 CG TYR A 16 7.479 9.277 9.189 1.00 0.00 C ATOM 239 CD1 TYR A 16 8.587 9.443 8.380 1.00 0.00 C ATOM 240 CD2 TYR A 16 6.980 10.385 9.859 1.00 0.00 C ATOM 241 CE1 TYR A 16 9.190 10.672 8.235 1.00 0.00 C ATOM 242 CE2 TYR A 16 7.577 11.623 9.725 1.00 0.00 C ATOM 243 CZ TYR A 16 8.681 11.764 8.911 1.00 0.00 C ATOM 244 OH TYR A 16 9.279 12.997 8.783 1.00 0.00 O ATOM 0 H TYR A 16 4.817 6.376 8.345 1.00 0.00 H new ATOM 0 HA TYR A 16 7.200 7.725 7.223 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.827 8.052 9.742 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.395 7.332 10.053 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.988 8.591 7.851 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.113 10.278 10.494 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.055 10.782 7.597 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.181 12.477 10.255 1.00 0.00 H new ATOM 0 HH TYR A 16 8.793 13.654 9.325 1.00 0.00 H new ATOM 254 N ILE A 17 8.517 5.619 7.395 1.00 0.00 N ATOM 255 CA ILE A 17 9.301 4.394 7.497 1.00 0.00 C ATOM 256 C ILE A 17 10.793 4.691 7.376 1.00 0.00 C ATOM 257 O ILE A 17 11.193 5.642 6.702 1.00 0.00 O ATOM 258 CB ILE A 17 8.890 3.331 6.450 1.00 0.00 C ATOM 259 CG1 ILE A 17 9.273 3.736 5.026 1.00 0.00 C ATOM 260 CG2 ILE A 17 7.399 3.063 6.523 1.00 0.00 C ATOM 261 CD1 ILE A 17 8.881 2.687 4.002 1.00 0.00 C ATOM 0 H ILE A 17 8.850 6.282 6.695 1.00 0.00 H new ATOM 0 HA ILE A 17 9.093 3.979 8.483 1.00 0.00 H new ATOM 0 HB ILE A 17 9.439 2.421 6.693 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.790 4.681 4.777 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.349 3.905 4.976 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.127 2.313 5.780 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.143 2.698 7.518 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.853 3.985 6.324 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.175 3.022 3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.385 1.748 4.232 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.802 2.536 4.030 1.00 0.00 H new ATOM 273 N PRO A 18 11.629 3.871 8.040 1.00 0.00 N ATOM 274 CA PRO A 18 13.085 4.076 8.117 1.00 0.00 C ATOM 275 C PRO A 18 13.784 4.100 6.756 1.00 0.00 C ATOM 276 O PRO A 18 13.269 3.602 5.752 1.00 0.00 O ATOM 277 CB PRO A 18 13.575 2.876 8.939 1.00 0.00 C ATOM 278 CG PRO A 18 12.378 2.412 9.689 1.00 0.00 C ATOM 279 CD PRO A 18 11.210 2.672 8.786 1.00 0.00 C ATOM 0 HA PRO A 18 13.314 5.048 8.553 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.967 2.089 8.294 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.379 3.163 9.617 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.456 1.353 9.934 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.273 2.950 10.631 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.018 1.830 8.121 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.294 2.847 9.351 1.00 0.00 H new ATOM 287 N GLN A 19 14.985 4.681 6.754 1.00 0.00 N ATOM 288 CA GLN A 19 15.792 4.827 5.541 1.00 0.00 C ATOM 289 C GLN A 19 16.199 3.469 4.975 1.00 0.00 C ATOM 290 O GLN A 19 16.382 3.330 3.766 1.00 0.00 O ATOM 291 CB GLN A 19 17.043 5.666 5.823 1.00 0.00 C ATOM 292 CG GLN A 19 17.961 5.066 6.872 1.00 0.00 C ATOM 293 CD GLN A 19 19.219 5.886 7.086 1.00 0.00 C ATOM 294 OE1 GLN A 19 19.237 6.819 7.889 1.00 0.00 O ATOM 295 NE2 GLN A 19 20.282 5.535 6.378 1.00 0.00 N ATOM 0 H GLN A 19 15.425 5.063 7.591 1.00 0.00 H new ATOM 0 HA GLN A 19 15.177 5.338 4.800 1.00 0.00 H new ATOM 0 HB2 GLN A 19 17.601 5.792 4.895 1.00 0.00 H new ATOM 0 HB3 GLN A 19 16.736 6.660 6.148 1.00 0.00 H new ATOM 0 HG2 GLN A 19 17.422 4.982 7.816 1.00 0.00 H new ATOM 0 HG3 GLN A 19 18.238 4.055 6.572 1.00 0.00 H new ATOM 0 HE21 GLN A 19 20.224 4.755 5.723 1.00 0.00 H new ATOM 0 HE22 GLN A 19 21.159 6.045 6.488 1.00 0.00 H new ATOM 304 N GLU A 20 16.351 2.481 5.859 1.00 0.00 N ATOM 305 CA GLU A 20 16.640 1.104 5.452 1.00 0.00 C ATOM 306 C GLU A 20 15.561 0.620 4.498 1.00 0.00 C ATOM 307 O GLU A 20 15.828 -0.050 3.494 1.00 0.00 O ATOM 308 CB GLU A 20 16.675 0.192 6.681 1.00 0.00 C ATOM 309 CG GLU A 20 17.622 0.667 7.768 1.00 0.00 C ATOM 310 CD GLU A 20 17.416 -0.076 9.069 1.00 0.00 C ATOM 311 OE1 GLU A 20 16.557 0.353 9.866 1.00 0.00 O ATOM 312 OE2 GLU A 20 18.112 -1.085 9.305 1.00 0.00 O ATOM 0 H GLU A 20 16.278 2.610 6.868 1.00 0.00 H new ATOM 0 HA GLU A 20 17.610 1.076 4.955 1.00 0.00 H new ATOM 0 HB2 GLU A 20 15.670 0.117 7.095 1.00 0.00 H new ATOM 0 HB3 GLU A 20 16.967 -0.811 6.370 1.00 0.00 H new ATOM 0 HG2 GLU A 20 18.651 0.534 7.435 1.00 0.00 H new ATOM 0 HG3 GLU A 20 17.476 1.734 7.934 1.00 0.00 H new ATOM 319 N TRP A 21 14.343 1.037 4.791 1.00 0.00 N ATOM 320 CA TRP A 21 13.187 0.633 4.029 1.00 0.00 C ATOM 321 C TRP A 21 13.131 1.413 2.741 1.00 0.00 C ATOM 322 O TRP A 21 13.043 0.838 1.671 1.00 0.00 O ATOM 323 CB TRP A 21 11.912 0.928 4.802 1.00 0.00 C ATOM 324 CG TRP A 21 11.644 0.049 5.973 1.00 0.00 C ATOM 325 CD1 TRP A 21 12.535 -0.509 6.845 1.00 0.00 C ATOM 326 CD2 TRP A 21 10.353 -0.336 6.408 1.00 0.00 C ATOM 327 NE1 TRP A 21 11.857 -1.231 7.803 1.00 0.00 N ATOM 328 CE2 TRP A 21 10.507 -1.137 7.549 1.00 0.00 C ATOM 329 CE3 TRP A 21 9.076 -0.077 5.925 1.00 0.00 C ATOM 330 CZ2 TRP A 21 9.410 -1.677 8.221 1.00 0.00 C ATOM 331 CZ3 TRP A 21 7.999 -0.603 6.583 1.00 0.00 C ATOM 332 CH2 TRP A 21 8.166 -1.394 7.717 1.00 0.00 C ATOM 0 H TRP A 21 14.132 1.666 5.566 1.00 0.00 H new ATOM 0 HA TRP A 21 13.267 -0.436 3.833 1.00 0.00 H new ATOM 0 HB2 TRP A 21 11.951 1.961 5.149 1.00 0.00 H new ATOM 0 HB3 TRP A 21 11.068 0.854 4.116 1.00 0.00 H new ATOM 0 HD1 TRP A 21 13.608 -0.401 6.792 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.284 -1.748 8.572 1.00 0.00 H new ATOM 0 HE3 TRP A 21 8.936 0.531 5.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 9.535 -2.291 9.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.003 -0.402 6.217 1.00 0.00 H new ATOM 0 HH2 TRP A 21 7.294 -1.795 8.212 1.00 0.00 H new ATOM 343 N HIS A 22 13.202 2.730 2.856 1.00 0.00 N ATOM 344 CA HIS A 22 13.087 3.603 1.697 1.00 0.00 C ATOM 345 C HIS A 22 14.087 3.203 0.616 1.00 0.00 C ATOM 346 O HIS A 22 13.739 3.119 -0.556 1.00 0.00 O ATOM 347 CB HIS A 22 13.306 5.061 2.101 1.00 0.00 C ATOM 348 CG HIS A 22 12.843 6.044 1.071 1.00 0.00 C ATOM 349 ND1 HIS A 22 13.671 6.587 0.115 1.00 0.00 N ATOM 350 CD2 HIS A 22 11.623 6.590 0.861 1.00 0.00 C ATOM 351 CE1 HIS A 22 12.982 7.425 -0.637 1.00 0.00 C ATOM 352 NE2 HIS A 22 11.735 7.447 -0.206 1.00 0.00 N ATOM 0 H HIS A 22 13.339 3.219 3.741 1.00 0.00 H new ATOM 0 HA HIS A 22 12.080 3.498 1.293 1.00 0.00 H new ATOM 0 HB2 HIS A 22 12.781 5.253 3.037 1.00 0.00 H new ATOM 0 HB3 HIS A 22 14.367 5.221 2.293 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.726 6.389 1.428 1.00 0.00 H new ATOM 0 HE1 HIS A 22 13.373 7.997 -1.466 1.00 0.00 H new ATOM 0 HE2 HIS A 22 10.980 8.008 -0.600 1.00 0.00 H new ATOM 361 N ASP A 23 15.323 2.941 1.023 1.00 0.00 N ATOM 362 CA ASP A 23 16.374 2.557 0.084 1.00 0.00 C ATOM 363 C ASP A 23 16.068 1.227 -0.615 1.00 0.00 C ATOM 364 O ASP A 23 16.104 1.142 -1.850 1.00 0.00 O ATOM 365 CB ASP A 23 17.720 2.473 0.800 1.00 0.00 C ATOM 366 CG ASP A 23 18.844 2.106 -0.141 1.00 0.00 C ATOM 367 OD1 ASP A 23 19.303 2.987 -0.901 1.00 0.00 O ATOM 368 OD2 ASP A 23 19.274 0.937 -0.126 1.00 0.00 O ATOM 0 H ASP A 23 15.624 2.987 1.997 1.00 0.00 H new ATOM 0 HA ASP A 23 16.418 3.329 -0.684 1.00 0.00 H new ATOM 0 HB2 ASP A 23 17.940 3.431 1.270 1.00 0.00 H new ATOM 0 HB3 ASP A 23 17.660 1.733 1.598 1.00 0.00 H new ATOM 373 N ARG A 24 15.739 0.199 0.167 1.00 0.00 N ATOM 374 CA ARG A 24 15.540 -1.146 -0.386 1.00 0.00 C ATOM 375 C ARG A 24 14.219 -1.238 -1.142 1.00 0.00 C ATOM 376 O ARG A 24 14.120 -1.923 -2.164 1.00 0.00 O ATOM 377 CB ARG A 24 15.566 -2.204 0.726 1.00 0.00 C ATOM 378 CG ARG A 24 16.959 -2.643 1.174 1.00 0.00 C ATOM 379 CD ARG A 24 17.819 -1.475 1.624 1.00 0.00 C ATOM 380 NE ARG A 24 18.887 -1.893 2.532 1.00 0.00 N ATOM 381 CZ ARG A 24 19.915 -1.124 2.888 1.00 0.00 C ATOM 382 NH1 ARG A 24 20.128 0.045 2.301 1.00 0.00 N ATOM 383 NH2 ARG A 24 20.757 -1.540 3.820 1.00 0.00 N ATOM 0 H ARG A 24 15.605 0.267 1.176 1.00 0.00 H new ATOM 0 HA ARG A 24 16.358 -1.337 -1.080 1.00 0.00 H new ATOM 0 HB2 ARG A 24 15.030 -1.812 1.591 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.019 -3.082 0.383 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.866 -3.358 1.992 1.00 0.00 H new ATOM 0 HG3 ARG A 24 17.455 -3.160 0.353 1.00 0.00 H new ATOM 0 HD2 ARG A 24 18.256 -0.990 0.751 1.00 0.00 H new ATOM 0 HD3 ARG A 24 17.192 -0.734 2.120 1.00 0.00 H new ATOM 0 HE ARG A 24 18.842 -2.836 2.918 1.00 0.00 H new ATOM 0 HH11 ARG A 24 19.500 0.368 1.565 1.00 0.00 H new ATOM 0 HH12 ARG A 24 20.920 0.622 2.585 1.00 0.00 H new ATOM 0 HH21 ARG A 24 20.618 -2.448 4.264 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.545 -0.953 4.094 1.00 0.00 H new ATOM 397 N LEU A 25 13.214 -0.541 -0.638 1.00 0.00 N ATOM 398 CA LEU A 25 11.899 -0.522 -1.257 1.00 0.00 C ATOM 399 C LEU A 25 11.951 0.164 -2.609 1.00 0.00 C ATOM 400 O LEU A 25 11.452 -0.373 -3.584 1.00 0.00 O ATOM 401 CB LEU A 25 10.873 0.171 -0.351 1.00 0.00 C ATOM 402 CG LEU A 25 10.051 -0.758 0.551 1.00 0.00 C ATOM 403 CD1 LEU A 25 9.251 -1.739 -0.289 1.00 0.00 C ATOM 404 CD2 LEU A 25 10.947 -1.506 1.530 1.00 0.00 C ATOM 0 H LEU A 25 13.286 0.025 0.208 1.00 0.00 H new ATOM 0 HA LEU A 25 11.585 -1.556 -1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.398 0.889 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.187 0.740 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 25 9.360 -0.144 1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.673 -2.391 0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.574 -1.190 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.931 -2.340 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.337 -2.157 2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.669 -2.107 0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.477 -0.790 2.158 1.00 0.00 H new ATOM 416 N MET A 26 12.566 1.344 -2.668 1.00 0.00 N ATOM 417 CA MET A 26 12.662 2.091 -3.920 1.00 0.00 C ATOM 418 C MET A 26 13.480 1.340 -4.962 1.00 0.00 C ATOM 419 O MET A 26 13.273 1.516 -6.162 1.00 0.00 O ATOM 420 CB MET A 26 13.247 3.482 -3.685 1.00 0.00 C ATOM 421 CG MET A 26 12.332 4.391 -2.882 1.00 0.00 C ATOM 422 SD MET A 26 10.776 4.750 -3.726 1.00 0.00 S ATOM 423 CE MET A 26 11.366 5.568 -5.208 1.00 0.00 C ATOM 0 H MET A 26 13.003 1.801 -1.868 1.00 0.00 H new ATOM 0 HA MET A 26 11.649 2.202 -4.307 1.00 0.00 H new ATOM 0 HB2 MET A 26 14.199 3.385 -3.164 1.00 0.00 H new ATOM 0 HB3 MET A 26 13.457 3.948 -4.648 1.00 0.00 H new ATOM 0 HG2 MET A 26 12.118 3.924 -1.920 1.00 0.00 H new ATOM 0 HG3 MET A 26 12.850 5.327 -2.674 1.00 0.00 H new ATOM 0 HE1 MET A 26 10.553 6.139 -5.657 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.183 6.242 -4.951 1.00 0.00 H new ATOM 0 HE3 MET A 26 11.721 4.822 -5.919 1.00 0.00 H new ATOM 433 N GLU A 27 14.401 0.498 -4.508 1.00 0.00 N ATOM 434 CA GLU A 27 15.163 -0.347 -5.419 1.00 0.00 C ATOM 435 C GLU A 27 14.214 -1.303 -6.145 1.00 0.00 C ATOM 436 O GLU A 27 14.168 -1.348 -7.380 1.00 0.00 O ATOM 437 CB GLU A 27 16.224 -1.136 -4.642 1.00 0.00 C ATOM 438 CG GLU A 27 17.103 -2.020 -5.510 1.00 0.00 C ATOM 439 CD GLU A 27 18.027 -1.227 -6.412 1.00 0.00 C ATOM 440 OE1 GLU A 27 19.139 -0.878 -5.966 1.00 0.00 O ATOM 441 OE2 GLU A 27 17.651 -0.952 -7.569 1.00 0.00 O ATOM 0 H GLU A 27 14.637 0.383 -3.522 1.00 0.00 H new ATOM 0 HA GLU A 27 15.668 0.279 -6.155 1.00 0.00 H new ATOM 0 HB2 GLU A 27 16.857 -0.434 -4.099 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.726 -1.757 -3.898 1.00 0.00 H new ATOM 0 HG2 GLU A 27 17.699 -2.672 -4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 27 16.471 -2.664 -6.121 1.00 0.00 H new ATOM 448 N ILE A 28 13.431 -2.039 -5.367 1.00 0.00 N ATOM 449 CA ILE A 28 12.448 -2.964 -5.921 1.00 0.00 C ATOM 450 C ILE A 28 11.358 -2.194 -6.672 1.00 0.00 C ATOM 451 O ILE A 28 10.829 -2.660 -7.685 1.00 0.00 O ATOM 452 CB ILE A 28 11.802 -3.822 -4.812 1.00 0.00 C ATOM 453 CG1 ILE A 28 12.888 -4.530 -3.994 1.00 0.00 C ATOM 454 CG2 ILE A 28 10.842 -4.843 -5.412 1.00 0.00 C ATOM 455 CD1 ILE A 28 12.350 -5.311 -2.814 1.00 0.00 C ATOM 0 H ILE A 28 13.457 -2.014 -4.348 1.00 0.00 H new ATOM 0 HA ILE A 28 12.968 -3.626 -6.613 1.00 0.00 H new ATOM 0 HB ILE A 28 11.235 -3.165 -4.152 1.00 0.00 H new ATOM 0 HG12 ILE A 28 13.438 -5.208 -4.647 1.00 0.00 H new ATOM 0 HG13 ILE A 28 13.600 -3.788 -3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 28 10.397 -5.437 -4.614 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.055 -4.324 -5.960 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.386 -5.498 -6.092 1.00 0.00 H new ATOM 0 HD11 ILE A 28 13.176 -5.784 -2.284 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.825 -4.635 -2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 28 11.661 -6.077 -3.169 1.00 0.00 H new ATOM 467 N ALA A 29 11.056 -1.004 -6.173 1.00 0.00 N ATOM 468 CA ALA A 29 10.015 -0.157 -6.736 1.00 0.00 C ATOM 469 C ALA A 29 10.336 0.232 -8.170 1.00 0.00 C ATOM 470 O ALA A 29 9.451 0.291 -9.015 1.00 0.00 O ATOM 471 CB ALA A 29 9.822 1.082 -5.878 1.00 0.00 C ATOM 0 H ALA A 29 11.527 -0.598 -5.365 1.00 0.00 H new ATOM 0 HA ALA A 29 9.085 -0.726 -6.746 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.040 1.706 -6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.532 0.785 -4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.755 1.645 -5.837 1.00 0.00 H new ATOM 477 N LYS A 30 11.606 0.456 -8.461 1.00 0.00 N ATOM 478 CA LYS A 30 11.996 0.832 -9.807 1.00 0.00 C ATOM 479 C LYS A 30 12.014 -0.391 -10.702 1.00 0.00 C ATOM 480 O LYS A 30 11.700 -0.309 -11.887 1.00 0.00 O ATOM 481 CB LYS A 30 13.364 1.518 -9.817 1.00 0.00 C ATOM 482 CG LYS A 30 13.342 2.925 -9.238 1.00 0.00 C ATOM 483 CD LYS A 30 12.336 3.805 -9.967 1.00 0.00 C ATOM 484 CE LYS A 30 12.382 5.242 -9.478 1.00 0.00 C ATOM 485 NZ LYS A 30 13.671 5.899 -9.814 1.00 0.00 N ATOM 0 H LYS A 30 12.374 0.385 -7.794 1.00 0.00 H new ATOM 0 HA LYS A 30 11.263 1.543 -10.188 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.070 0.911 -9.250 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.732 1.561 -10.842 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.090 2.881 -8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.336 3.367 -9.311 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.540 3.779 -11.037 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.332 3.405 -9.824 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.561 5.804 -9.923 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.234 5.263 -8.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.587 6.925 -9.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.423 5.522 -9.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.908 5.711 -10.809 1.00 0.00 H new ATOM 499 N GLU A 31 12.356 -1.527 -10.123 1.00 0.00 N ATOM 500 CA GLU A 31 12.338 -2.784 -10.852 1.00 0.00 C ATOM 501 C GLU A 31 10.912 -3.098 -11.317 1.00 0.00 C ATOM 502 O GLU A 31 10.678 -3.355 -12.495 1.00 0.00 O ATOM 503 CB GLU A 31 12.882 -3.913 -9.968 1.00 0.00 C ATOM 504 CG GLU A 31 13.654 -4.992 -10.721 1.00 0.00 C ATOM 505 CD GLU A 31 12.792 -5.833 -11.640 1.00 0.00 C ATOM 506 OE1 GLU A 31 12.183 -6.809 -11.160 1.00 0.00 O ATOM 507 OE2 GLU A 31 12.727 -5.532 -12.848 1.00 0.00 O ATOM 0 H GLU A 31 12.650 -1.606 -9.150 1.00 0.00 H new ATOM 0 HA GLU A 31 12.977 -2.698 -11.731 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.534 -3.481 -9.209 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.048 -4.380 -9.443 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.441 -4.519 -11.309 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.144 -5.645 -9.999 1.00 0.00 H new ATOM 514 N LYS A 32 9.955 -3.019 -10.393 1.00 0.00 N ATOM 515 CA LYS A 32 8.571 -3.385 -10.681 1.00 0.00 C ATOM 516 C LYS A 32 7.760 -2.218 -11.252 1.00 0.00 C ATOM 517 O LYS A 32 6.603 -2.393 -11.635 1.00 0.00 O ATOM 518 CB LYS A 32 7.890 -3.885 -9.405 1.00 0.00 C ATOM 519 CG LYS A 32 8.597 -5.053 -8.737 1.00 0.00 C ATOM 520 CD LYS A 32 9.120 -6.038 -9.760 1.00 0.00 C ATOM 521 CE LYS A 32 9.702 -7.281 -9.107 1.00 0.00 C ATOM 522 NZ LYS A 32 10.254 -8.223 -10.114 1.00 0.00 N ATOM 0 H LYS A 32 10.115 -2.704 -9.436 1.00 0.00 H new ATOM 0 HA LYS A 32 8.602 -4.171 -11.435 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.824 -3.061 -8.695 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.869 -4.182 -9.644 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.423 -4.682 -8.131 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.908 -5.559 -8.061 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.312 -6.326 -10.432 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.885 -5.556 -10.369 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.488 -6.992 -8.410 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.929 -7.782 -8.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.423 -9.147 -9.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.576 -8.334 -10.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.150 -7.848 -10.485 1.00 0.00 H new ATOM 536 N ASN A 33 8.376 -1.034 -11.304 1.00 0.00 N ATOM 537 CA ASN A 33 7.722 0.179 -11.823 1.00 0.00 C ATOM 538 C ASN A 33 6.547 0.582 -10.935 1.00 0.00 C ATOM 539 O ASN A 33 5.462 0.910 -11.420 1.00 0.00 O ATOM 540 CB ASN A 33 7.241 -0.007 -13.272 1.00 0.00 C ATOM 541 CG ASN A 33 8.362 0.026 -14.299 1.00 0.00 C ATOM 542 OD1 ASN A 33 8.162 0.463 -15.432 1.00 0.00 O ATOM 543 ND2 ASN A 33 9.543 -0.436 -13.921 1.00 0.00 N ATOM 0 H ASN A 33 9.335 -0.885 -10.991 1.00 0.00 H new ATOM 0 HA ASN A 33 8.467 0.974 -11.814 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.716 -0.959 -13.351 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.520 0.776 -13.509 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.324 -0.437 -14.577 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.672 -0.791 -12.973 1.00 0.00 H new ATOM 550 N LEU A 34 6.787 0.561 -9.634 1.00 0.00 N ATOM 551 CA LEU A 34 5.772 0.865 -8.636 1.00 0.00 C ATOM 552 C LEU A 34 6.310 1.903 -7.660 1.00 0.00 C ATOM 553 O LEU A 34 7.505 2.183 -7.646 1.00 0.00 O ATOM 554 CB LEU A 34 5.391 -0.408 -7.870 1.00 0.00 C ATOM 555 CG LEU A 34 4.768 -1.525 -8.710 1.00 0.00 C ATOM 556 CD1 LEU A 34 4.586 -2.781 -7.871 1.00 0.00 C ATOM 557 CD2 LEU A 34 3.435 -1.074 -9.283 1.00 0.00 C ATOM 0 H LEU A 34 7.698 0.331 -9.237 1.00 0.00 H new ATOM 0 HA LEU A 34 4.888 1.259 -9.137 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.285 -0.799 -7.384 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.690 -0.139 -7.080 1.00 0.00 H new ATOM 0 HG LEU A 34 5.441 -1.755 -9.536 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.142 -3.566 -8.483 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.555 -3.114 -7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.930 -2.563 -7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.004 -1.879 -9.878 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.756 -0.821 -8.469 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.588 -0.198 -9.914 1.00 0.00 H new ATOM 569 N THR A 35 5.430 2.488 -6.864 1.00 0.00 N ATOM 570 CA THR A 35 5.857 3.411 -5.829 1.00 0.00 C ATOM 571 C THR A 35 5.769 2.737 -4.465 1.00 0.00 C ATOM 572 O THR A 35 5.029 1.768 -4.302 1.00 0.00 O ATOM 573 CB THR A 35 4.995 4.691 -5.814 1.00 0.00 C ATOM 574 OG1 THR A 35 3.615 4.356 -5.600 1.00 0.00 O ATOM 575 CG2 THR A 35 5.143 5.467 -7.114 1.00 0.00 C ATOM 0 H THR A 35 4.422 2.341 -6.915 1.00 0.00 H new ATOM 0 HA THR A 35 6.887 3.693 -6.046 1.00 0.00 H new ATOM 0 HB THR A 35 5.344 5.322 -4.997 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.239 3.976 -6.422 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.524 6.364 -7.075 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.186 5.751 -7.251 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.824 4.843 -7.949 1.00 0.00 H new ATOM 583 N LEU A 36 6.531 3.232 -3.498 1.00 0.00 N ATOM 584 CA LEU A 36 6.433 2.748 -2.121 1.00 0.00 C ATOM 585 C LEU A 36 5.023 2.968 -1.584 1.00 0.00 C ATOM 586 O LEU A 36 4.557 2.232 -0.719 1.00 0.00 O ATOM 587 CB LEU A 36 7.488 3.416 -1.218 1.00 0.00 C ATOM 588 CG LEU A 36 7.326 4.921 -0.939 1.00 0.00 C ATOM 589 CD1 LEU A 36 8.368 5.370 0.072 1.00 0.00 C ATOM 590 CD2 LEU A 36 7.453 5.751 -2.209 1.00 0.00 C ATOM 0 H LEU A 36 7.224 3.967 -3.638 1.00 0.00 H new ATOM 0 HA LEU A 36 6.637 1.677 -2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.493 2.894 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.467 3.260 -1.671 1.00 0.00 H new ATOM 0 HG LEU A 36 6.325 5.078 -0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.250 6.436 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.237 4.815 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.365 5.182 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.332 6.807 -1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.436 5.590 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.682 5.451 -2.918 1.00 0.00 H new ATOM 602 N SER A 37 4.348 3.980 -2.113 1.00 0.00 N ATOM 603 CA SER A 37 2.935 4.175 -1.850 1.00 0.00 C ATOM 604 C SER A 37 2.137 2.960 -2.327 1.00 0.00 C ATOM 605 O SER A 37 1.323 2.404 -1.587 1.00 0.00 O ATOM 606 CB SER A 37 2.458 5.447 -2.548 1.00 0.00 C ATOM 607 OG SER A 37 3.312 6.538 -2.244 1.00 0.00 O ATOM 0 H SER A 37 4.762 4.680 -2.729 1.00 0.00 H new ATOM 0 HA SER A 37 2.777 4.283 -0.777 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.433 5.288 -3.626 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.440 5.678 -2.236 1.00 0.00 H new ATOM 0 HG SER A 37 2.773 7.341 -2.087 1.00 0.00 H new ATOM 613 N ASP A 38 2.407 2.529 -3.558 1.00 0.00 N ATOM 614 CA ASP A 38 1.740 1.361 -4.125 1.00 0.00 C ATOM 615 C ASP A 38 2.089 0.113 -3.334 1.00 0.00 C ATOM 616 O ASP A 38 1.211 -0.651 -2.949 1.00 0.00 O ATOM 617 CB ASP A 38 2.126 1.148 -5.595 1.00 0.00 C ATOM 618 CG ASP A 38 1.493 2.154 -6.534 1.00 0.00 C ATOM 619 OD1 ASP A 38 0.247 2.213 -6.596 1.00 0.00 O ATOM 620 OD2 ASP A 38 2.240 2.887 -7.220 1.00 0.00 O ATOM 0 H ASP A 38 3.083 2.972 -4.181 1.00 0.00 H new ATOM 0 HA ASP A 38 0.667 1.545 -4.070 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.210 1.205 -5.690 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.832 0.143 -5.899 1.00 0.00 H new ATOM 625 N VAL A 39 3.373 -0.073 -3.065 1.00 0.00 N ATOM 626 CA VAL A 39 3.844 -1.262 -2.363 1.00 0.00 C ATOM 627 C VAL A 39 3.284 -1.320 -0.942 1.00 0.00 C ATOM 628 O VAL A 39 3.089 -2.394 -0.394 1.00 0.00 O ATOM 629 CB VAL A 39 5.389 -1.312 -2.312 1.00 0.00 C ATOM 630 CG1 VAL A 39 5.878 -2.577 -1.621 1.00 0.00 C ATOM 631 CG2 VAL A 39 5.973 -1.217 -3.714 1.00 0.00 C ATOM 0 H VAL A 39 4.110 0.584 -3.322 1.00 0.00 H new ATOM 0 HA VAL A 39 3.485 -2.126 -2.922 1.00 0.00 H new ATOM 0 HB VAL A 39 5.731 -0.456 -1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.968 -2.583 -1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.496 -2.605 -0.600 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.521 -3.451 -2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.061 -1.254 -3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.612 -2.051 -4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.665 -0.278 -4.174 1.00 0.00 H new ATOM 641 N CYS A 40 3.014 -0.161 -0.360 1.00 0.00 N ATOM 642 CA CYS A 40 2.492 -0.090 1.000 1.00 0.00 C ATOM 643 C CYS A 40 1.048 -0.608 1.060 1.00 0.00 C ATOM 644 O CYS A 40 0.720 -1.463 1.882 1.00 0.00 O ATOM 645 CB CYS A 40 2.594 1.361 1.507 1.00 0.00 C ATOM 646 SG CYS A 40 2.749 1.538 3.298 1.00 0.00 S ATOM 0 H CYS A 40 3.147 0.746 -0.808 1.00 0.00 H new ATOM 0 HA CYS A 40 3.087 -0.731 1.650 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.455 1.835 1.035 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.710 1.907 1.179 1.00 0.00 H new ATOM 0 HG CYS A 40 2.829 2.799 3.604 1.00 0.00 H new ATOM 652 N ARG A 41 0.181 -0.097 0.192 1.00 0.00 N ATOM 653 CA ARG A 41 -1.182 -0.601 0.102 1.00 0.00 C ATOM 654 C ARG A 41 -1.210 -2.037 -0.430 1.00 0.00 C ATOM 655 O ARG A 41 -2.079 -2.825 -0.064 1.00 0.00 O ATOM 656 CB ARG A 41 -2.059 0.344 -0.734 1.00 0.00 C ATOM 657 CG ARG A 41 -1.500 0.718 -2.098 1.00 0.00 C ATOM 658 CD ARG A 41 -1.908 -0.270 -3.178 1.00 0.00 C ATOM 659 NE ARG A 41 -1.468 0.179 -4.498 1.00 0.00 N ATOM 660 CZ ARG A 41 -1.950 -0.282 -5.655 1.00 0.00 C ATOM 661 NH1 ARG A 41 -2.911 -1.197 -5.673 1.00 0.00 N ATOM 662 NH2 ARG A 41 -1.484 0.197 -6.800 1.00 0.00 N ATOM 0 H ARG A 41 0.397 0.661 -0.455 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.603 -0.630 1.107 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.034 -0.123 -0.875 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.223 1.259 -0.164 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.848 1.715 -2.370 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.412 0.764 -2.043 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.478 -1.248 -2.961 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.991 -0.390 -3.174 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.742 0.894 -4.538 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.290 -1.556 -4.797 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.271 -1.541 -6.563 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.760 0.915 -6.795 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.850 -0.153 -7.686 1.00 0.00 H new ATOM 676 N LEU A 42 -0.249 -2.386 -1.282 1.00 0.00 N ATOM 677 CA LEU A 42 -0.121 -3.764 -1.756 1.00 0.00 C ATOM 678 C LEU A 42 0.387 -4.661 -0.637 1.00 0.00 C ATOM 679 O LEU A 42 0.194 -5.878 -0.654 1.00 0.00 O ATOM 680 CB LEU A 42 0.820 -3.848 -2.960 1.00 0.00 C ATOM 681 CG LEU A 42 0.297 -3.191 -4.237 1.00 0.00 C ATOM 682 CD1 LEU A 42 1.346 -3.248 -5.335 1.00 0.00 C ATOM 683 CD2 LEU A 42 -0.985 -3.867 -4.695 1.00 0.00 C ATOM 0 H LEU A 42 0.447 -1.741 -1.656 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.108 -4.105 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.769 -3.383 -2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.026 -4.898 -3.168 1.00 0.00 H new ATOM 0 HG LEU A 42 0.080 -2.145 -4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.955 -2.775 -6.236 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.243 -2.722 -5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.593 -4.288 -5.549 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.344 -3.387 -5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.790 -4.921 -4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.742 -3.778 -3.915 1.00 0.00 H new ATOM 695 N ALA A 43 1.017 -4.044 0.346 1.00 0.00 N ATOM 696 CA ALA A 43 1.540 -4.761 1.487 1.00 0.00 C ATOM 697 C ALA A 43 0.399 -5.265 2.352 1.00 0.00 C ATOM 698 O ALA A 43 0.342 -6.447 2.693 1.00 0.00 O ATOM 699 CB ALA A 43 2.465 -3.872 2.291 1.00 0.00 C ATOM 0 H ALA A 43 1.178 -3.037 0.373 1.00 0.00 H new ATOM 0 HA ALA A 43 2.113 -5.617 1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.850 -4.427 3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.296 -3.550 1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.916 -2.999 2.643 1.00 0.00 H new ATOM 705 N ILE A 44 -0.525 -4.368 2.691 1.00 0.00 N ATOM 706 CA ILE A 44 -1.687 -4.750 3.479 1.00 0.00 C ATOM 707 C ILE A 44 -2.625 -5.615 2.665 1.00 0.00 C ATOM 708 O ILE A 44 -3.422 -6.352 3.221 1.00 0.00 O ATOM 709 CB ILE A 44 -2.457 -3.551 4.065 1.00 0.00 C ATOM 710 CG1 ILE A 44 -2.446 -2.361 3.109 1.00 0.00 C ATOM 711 CG2 ILE A 44 -1.882 -3.173 5.417 1.00 0.00 C ATOM 712 CD1 ILE A 44 -3.159 -1.146 3.664 1.00 0.00 C ATOM 0 H ILE A 44 -0.490 -3.382 2.434 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.299 -5.318 4.325 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.498 -3.845 4.201 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.414 -2.096 2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.916 -2.653 2.170 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.433 -2.325 5.822 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.967 -4.020 6.098 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.832 -2.903 5.303 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.116 -0.335 2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.200 -1.396 3.867 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.675 -0.831 4.588 1.00 0.00 H new ATOM 724 N LYS A 45 -2.529 -5.522 1.349 1.00 0.00 N ATOM 725 CA LYS A 45 -3.236 -6.440 0.474 1.00 0.00 C ATOM 726 C LYS A 45 -2.843 -7.880 0.812 1.00 0.00 C ATOM 727 O LYS A 45 -3.702 -8.743 1.031 1.00 0.00 O ATOM 728 CB LYS A 45 -2.927 -6.102 -0.994 1.00 0.00 C ATOM 729 CG LYS A 45 -2.960 -7.287 -1.953 1.00 0.00 C ATOM 730 CD LYS A 45 -4.360 -7.838 -2.151 1.00 0.00 C ATOM 731 CE LYS A 45 -4.341 -9.035 -3.089 1.00 0.00 C ATOM 732 NZ LYS A 45 -3.517 -10.152 -2.551 1.00 0.00 N ATOM 0 H LYS A 45 -1.969 -4.821 0.864 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.311 -6.339 0.623 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.645 -5.357 -1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.940 -5.641 -1.044 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.554 -6.981 -2.917 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.313 -8.077 -1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.780 -8.131 -1.189 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.007 -7.061 -2.558 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.361 -9.383 -3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.949 -8.729 -4.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.626 -10.988 -3.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.517 -9.867 -2.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.832 -10.383 -1.587 1.00 0.00 H new ATOM 746 N GLU A 46 -1.541 -8.117 0.894 1.00 0.00 N ATOM 747 CA GLU A 46 -1.023 -9.431 1.230 1.00 0.00 C ATOM 748 C GLU A 46 -1.303 -9.717 2.699 1.00 0.00 C ATOM 749 O GLU A 46 -1.633 -10.840 3.085 1.00 0.00 O ATOM 750 CB GLU A 46 0.482 -9.478 0.952 1.00 0.00 C ATOM 751 CG GLU A 46 1.084 -10.869 1.023 1.00 0.00 C ATOM 752 CD GLU A 46 0.486 -11.813 0.001 1.00 0.00 C ATOM 753 OE1 GLU A 46 0.673 -11.581 -1.211 1.00 0.00 O ATOM 754 OE2 GLU A 46 -0.178 -12.785 0.403 1.00 0.00 O ATOM 0 H GLU A 46 -0.823 -7.411 0.731 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.512 -10.190 0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.670 -9.063 -0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.993 -8.836 1.670 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.161 -10.804 0.866 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.932 -11.277 2.022 1.00 0.00 H new ATOM 761 N TYR A 47 -1.212 -8.669 3.502 1.00 0.00 N ATOM 762 CA TYR A 47 -1.426 -8.768 4.935 1.00 0.00 C ATOM 763 C TYR A 47 -2.846 -9.247 5.234 1.00 0.00 C ATOM 764 O TYR A 47 -3.058 -10.099 6.098 1.00 0.00 O ATOM 765 CB TYR A 47 -1.181 -7.406 5.585 1.00 0.00 C ATOM 766 CG TYR A 47 -1.286 -7.395 7.091 1.00 0.00 C ATOM 767 CD1 TYR A 47 -0.198 -7.741 7.880 1.00 0.00 C ATOM 768 CD2 TYR A 47 -2.465 -7.026 7.725 1.00 0.00 C ATOM 769 CE1 TYR A 47 -0.282 -7.723 9.259 1.00 0.00 C ATOM 770 CE2 TYR A 47 -2.559 -7.003 9.102 1.00 0.00 C ATOM 771 CZ TYR A 47 -1.465 -7.352 9.865 1.00 0.00 C ATOM 772 OH TYR A 47 -1.556 -7.332 11.237 1.00 0.00 O ATOM 0 H TYR A 47 -0.988 -7.728 3.179 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.726 -9.495 5.347 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.188 -7.057 5.302 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.897 -6.692 5.180 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.730 -8.029 7.408 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.324 -6.752 7.130 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.573 -7.998 9.859 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.484 -6.713 9.579 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.456 -7.047 11.501 1.00 0.00 H new ATOM 782 N LEU A 48 -3.811 -8.706 4.494 1.00 0.00 N ATOM 783 CA LEU A 48 -5.212 -9.051 4.677 1.00 0.00 C ATOM 784 C LEU A 48 -5.451 -10.512 4.359 1.00 0.00 C ATOM 785 O LEU A 48 -6.026 -11.235 5.165 1.00 0.00 O ATOM 786 CB LEU A 48 -6.118 -8.187 3.790 1.00 0.00 C ATOM 787 CG LEU A 48 -6.131 -6.692 4.109 1.00 0.00 C ATOM 788 CD1 LEU A 48 -7.091 -5.958 3.186 1.00 0.00 C ATOM 789 CD2 LEU A 48 -6.499 -6.454 5.565 1.00 0.00 C ATOM 0 H LEU A 48 -3.642 -8.022 3.757 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.458 -8.863 5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.808 -8.315 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.138 -8.565 3.867 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.128 -6.299 3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.087 -4.895 3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.778 -6.096 2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.097 -6.356 3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.502 -5.383 5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.490 -6.864 5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.769 -6.944 6.210 1.00 0.00 H new ATOM 801 N ASP A 49 -4.984 -10.942 3.195 1.00 0.00 N ATOM 802 CA ASP A 49 -5.238 -12.302 2.723 1.00 0.00 C ATOM 803 C ASP A 49 -4.681 -13.367 3.663 1.00 0.00 C ATOM 804 O ASP A 49 -5.295 -14.417 3.848 1.00 0.00 O ATOM 805 CB ASP A 49 -4.664 -12.499 1.323 1.00 0.00 C ATOM 806 CG ASP A 49 -5.523 -11.859 0.255 1.00 0.00 C ATOM 807 OD1 ASP A 49 -6.762 -11.934 0.358 1.00 0.00 O ATOM 808 OD2 ASP A 49 -4.965 -11.297 -0.709 1.00 0.00 O ATOM 0 H ASP A 49 -4.427 -10.372 2.558 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.321 -12.424 2.698 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.661 -12.075 1.281 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.569 -13.565 1.119 1.00 0.00 H new ATOM 813 N ASN A 50 -3.524 -13.104 4.256 1.00 0.00 N ATOM 814 CA ASN A 50 -2.881 -14.099 5.110 1.00 0.00 C ATOM 815 C ASN A 50 -3.509 -14.189 6.497 1.00 0.00 C ATOM 816 O ASN A 50 -3.465 -15.246 7.122 1.00 0.00 O ATOM 817 CB ASN A 50 -1.383 -13.829 5.226 1.00 0.00 C ATOM 818 CG ASN A 50 -0.648 -14.200 3.956 1.00 0.00 C ATOM 819 OD1 ASN A 50 -0.189 -15.331 3.794 1.00 0.00 O ATOM 820 ND2 ASN A 50 -0.546 -13.255 3.042 1.00 0.00 N ATOM 0 H ASN A 50 -3.016 -12.224 4.165 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.037 -15.063 4.627 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.219 -12.774 5.446 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.974 -14.397 6.062 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.072 -13.448 2.160 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.941 -12.331 3.217 1.00 0.00 H new ATOM 1084 N GLY B 10 14.150 7.615 9.238 1.00 0.00 N ATOM 1085 CA GLY B 10 12.878 7.272 8.647 1.00 0.00 C ATOM 1086 C GLY B 10 12.452 8.298 7.618 1.00 0.00 C ATOM 1087 O GLY B 10 12.778 9.481 7.738 1.00 0.00 O ATOM 0 HA2 GLY B 10 12.946 6.291 8.178 1.00 0.00 H new ATOM 0 HA3 GLY B 10 12.120 7.201 9.427 1.00 0.00 H new ATOM 1091 N ILE B 11 11.750 7.839 6.598 1.00 0.00 N ATOM 1092 CA ILE B 11 11.336 8.692 5.492 1.00 0.00 C ATOM 1093 C ILE B 11 9.814 8.711 5.405 1.00 0.00 C ATOM 1094 O ILE B 11 9.159 7.729 5.762 1.00 0.00 O ATOM 1095 CB ILE B 11 11.938 8.212 4.137 1.00 0.00 C ATOM 1096 CG1 ILE B 11 13.471 8.281 4.145 1.00 0.00 C ATOM 1097 CG2 ILE B 11 11.402 9.035 2.972 1.00 0.00 C ATOM 1098 CD1 ILE B 11 14.145 7.166 4.921 1.00 0.00 C ATOM 0 H ILE B 11 11.450 6.868 6.510 1.00 0.00 H new ATOM 0 HA ILE B 11 11.710 9.698 5.683 1.00 0.00 H new ATOM 0 HB ILE B 11 11.634 7.173 4.009 1.00 0.00 H new ATOM 0 HG12 ILE B 11 13.829 8.258 3.116 1.00 0.00 H new ATOM 0 HG13 ILE B 11 13.777 9.238 4.568 1.00 0.00 H new ATOM 0 HG21 ILE B 11 11.840 8.676 2.041 1.00 0.00 H new ATOM 0 HG22 ILE B 11 10.318 8.935 2.925 1.00 0.00 H new ATOM 0 HG23 ILE B 11 11.664 10.083 3.116 1.00 0.00 H new ATOM 0 HD11 ILE B 11 15.227 7.292 4.874 1.00 0.00 H new ATOM 0 HD12 ILE B 11 13.820 7.199 5.961 1.00 0.00 H new ATOM 0 HD13 ILE B 11 13.873 6.204 4.486 1.00 0.00 H new ATOM 1110 N LYS B 12 9.256 9.817 4.928 1.00 0.00 N ATOM 1111 CA LYS B 12 7.812 9.972 4.862 1.00 0.00 C ATOM 1112 C LYS B 12 7.325 9.708 3.442 1.00 0.00 C ATOM 1113 O LYS B 12 7.861 10.246 2.471 1.00 0.00 O ATOM 1114 CB LYS B 12 7.412 11.384 5.306 1.00 0.00 C ATOM 1115 CG LYS B 12 6.235 11.428 6.277 1.00 0.00 C ATOM 1116 CD LYS B 12 4.948 10.912 5.650 1.00 0.00 C ATOM 1117 CE LYS B 12 4.495 11.782 4.488 1.00 0.00 C ATOM 1118 NZ LYS B 12 4.148 13.159 4.925 1.00 0.00 N ATOM 0 H LYS B 12 9.783 10.619 4.582 1.00 0.00 H new ATOM 0 HA LYS B 12 7.347 9.250 5.534 1.00 0.00 H new ATOM 0 HB2 LYS B 12 8.272 11.862 5.774 1.00 0.00 H new ATOM 0 HB3 LYS B 12 7.162 11.972 4.423 1.00 0.00 H new ATOM 0 HG2 LYS B 12 6.472 10.832 7.158 1.00 0.00 H new ATOM 0 HG3 LYS B 12 6.085 12.453 6.617 1.00 0.00 H new ATOM 0 HD2 LYS B 12 5.098 9.890 5.302 1.00 0.00 H new ATOM 0 HD3 LYS B 12 4.164 10.879 6.406 1.00 0.00 H new ATOM 0 HE2 LYS B 12 5.286 11.828 3.740 1.00 0.00 H new ATOM 0 HE3 LYS B 12 3.629 11.325 4.009 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 3.657 13.654 4.154 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 3.527 13.113 5.758 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 5.017 13.675 5.169 1.00 0.00 H new ATOM 1132 N LEU B 13 6.316 8.862 3.333 1.00 0.00 N ATOM 1133 CA LEU B 13 5.776 8.454 2.048 1.00 0.00 C ATOM 1134 C LEU B 13 4.265 8.633 2.021 1.00 0.00 C ATOM 1135 O LEU B 13 3.584 8.365 3.008 1.00 0.00 O ATOM 1136 CB LEU B 13 6.139 6.990 1.762 1.00 0.00 C ATOM 1137 CG LEU B 13 5.969 6.020 2.943 1.00 0.00 C ATOM 1138 CD1 LEU B 13 5.679 4.612 2.442 1.00 0.00 C ATOM 1139 CD2 LEU B 13 7.220 6.012 3.821 1.00 0.00 C ATOM 0 H LEU B 13 5.847 8.438 4.134 1.00 0.00 H new ATOM 0 HA LEU B 13 6.213 9.085 1.274 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.524 6.637 0.934 1.00 0.00 H new ATOM 0 HB3 LEU B 13 7.176 6.950 1.429 1.00 0.00 H new ATOM 0 HG LEU B 13 5.124 6.362 3.541 1.00 0.00 H new ATOM 0 HD11 LEU B 13 5.562 3.940 3.292 1.00 0.00 H new ATOM 0 HD12 LEU B 13 4.761 4.617 1.854 1.00 0.00 H new ATOM 0 HD13 LEU B 13 6.506 4.269 1.820 1.00 0.00 H new ATOM 0 HD21 LEU B 13 7.078 5.319 4.650 1.00 0.00 H new ATOM 0 HD22 LEU B 13 8.079 5.697 3.228 1.00 0.00 H new ATOM 0 HD23 LEU B 13 7.397 7.014 4.212 1.00 0.00 H new ATOM 1151 N GLY B 14 3.746 9.102 0.898 1.00 0.00 N ATOM 1152 CA GLY B 14 2.321 9.305 0.780 1.00 0.00 C ATOM 1153 C GLY B 14 1.654 8.231 -0.054 1.00 0.00 C ATOM 1154 O GLY B 14 1.977 8.059 -1.230 1.00 0.00 O ATOM 0 H GLY B 14 4.286 9.345 0.068 1.00 0.00 H new ATOM 0 HA2 GLY B 14 1.875 9.319 1.774 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.131 10.280 0.332 1.00 0.00 H new ATOM 1158 N VAL B 15 0.735 7.498 0.552 1.00 0.00 N ATOM 1159 CA VAL B 15 0.030 6.434 -0.150 1.00 0.00 C ATOM 1160 C VAL B 15 -1.436 6.824 -0.358 1.00 0.00 C ATOM 1161 O VAL B 15 -2.010 7.539 0.461 1.00 0.00 O ATOM 1162 CB VAL B 15 0.117 5.089 0.623 1.00 0.00 C ATOM 1163 CG1 VAL B 15 -0.502 3.957 -0.181 1.00 0.00 C ATOM 1164 CG2 VAL B 15 1.560 4.768 0.977 1.00 0.00 C ATOM 0 H VAL B 15 0.459 7.618 1.526 1.00 0.00 H new ATOM 0 HA VAL B 15 0.510 6.297 -1.119 1.00 0.00 H new ATOM 0 HB VAL B 15 -0.450 5.194 1.548 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -0.428 3.027 0.383 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -1.551 4.180 -0.376 1.00 0.00 H new ATOM 0 HG13 VAL B 15 0.028 3.851 -1.127 1.00 0.00 H new ATOM 0 HG21 VAL B 15 1.600 3.823 1.518 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.150 4.689 0.064 1.00 0.00 H new ATOM 0 HG23 VAL B 15 1.966 5.562 1.604 1.00 0.00 H new ATOM 1174 N TYR B 16 -2.016 6.400 -1.475 1.00 0.00 N ATOM 1175 CA TYR B 16 -3.444 6.588 -1.718 1.00 0.00 C ATOM 1176 C TYR B 16 -4.169 5.258 -1.644 1.00 0.00 C ATOM 1177 O TYR B 16 -3.811 4.313 -2.350 1.00 0.00 O ATOM 1178 CB TYR B 16 -3.709 7.220 -3.082 1.00 0.00 C ATOM 1179 CG TYR B 16 -4.026 8.687 -3.006 1.00 0.00 C ATOM 1180 CD1 TYR B 16 -5.236 9.103 -2.487 1.00 0.00 C ATOM 1181 CD2 TYR B 16 -3.129 9.650 -3.442 1.00 0.00 C ATOM 1182 CE1 TYR B 16 -5.556 10.435 -2.396 1.00 0.00 C ATOM 1183 CE2 TYR B 16 -3.439 10.994 -3.361 1.00 0.00 C ATOM 1184 CZ TYR B 16 -4.655 11.382 -2.832 1.00 0.00 C ATOM 1185 OH TYR B 16 -4.972 12.720 -2.749 1.00 0.00 O ATOM 0 H TYR B 16 -1.520 5.923 -2.228 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.815 7.262 -0.946 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.835 7.077 -3.717 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -4.539 6.700 -3.560 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.946 8.365 -2.145 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.176 9.346 -3.850 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -6.508 10.739 -1.985 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.736 11.736 -3.709 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.228 13.255 -3.097 1.00 0.00 H new ATOM 1195 N ILE B 17 -5.187 5.178 -0.794 1.00 0.00 N ATOM 1196 CA ILE B 17 -5.944 3.942 -0.650 1.00 0.00 C ATOM 1197 C ILE B 17 -7.440 4.225 -0.494 1.00 0.00 C ATOM 1198 O ILE B 17 -7.832 5.279 0.020 1.00 0.00 O ATOM 1199 CB ILE B 17 -5.447 3.083 0.539 1.00 0.00 C ATOM 1200 CG1 ILE B 17 -5.769 3.733 1.886 1.00 0.00 C ATOM 1201 CG2 ILE B 17 -3.950 2.821 0.429 1.00 0.00 C ATOM 1202 CD1 ILE B 17 -5.352 2.882 3.066 1.00 0.00 C ATOM 0 H ILE B 17 -5.504 5.945 -0.201 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.781 3.373 -1.566 1.00 0.00 H new ATOM 0 HB ILE B 17 -5.978 2.132 0.491 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -5.268 4.699 1.946 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -6.840 3.925 1.944 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -3.623 2.216 1.275 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.741 2.290 -0.499 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -3.413 3.770 0.433 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -5.606 3.396 3.993 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -5.873 1.925 3.027 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.276 2.711 3.029 1.00 0.00 H new ATOM 1214 N PRO B 18 -8.283 3.281 -0.952 1.00 0.00 N ATOM 1215 CA PRO B 18 -9.750 3.424 -0.961 1.00 0.00 C ATOM 1216 C PRO B 18 -10.357 3.586 0.432 1.00 0.00 C ATOM 1217 O PRO B 18 -9.788 3.153 1.441 1.00 0.00 O ATOM 1218 CB PRO B 18 -10.237 2.115 -1.594 1.00 0.00 C ATOM 1219 CG PRO B 18 -9.059 1.574 -2.324 1.00 0.00 C ATOM 1220 CD PRO B 18 -7.865 1.988 -1.521 1.00 0.00 C ATOM 0 HA PRO B 18 -10.049 4.324 -1.499 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -10.585 1.415 -0.834 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -11.073 2.292 -2.271 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -9.116 0.489 -2.411 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -9.008 1.973 -3.337 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.630 1.262 -0.743 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -6.975 2.089 -2.143 1.00 0.00 H new ATOM 1228 N GLN B 19 -11.540 4.196 0.467 1.00 0.00 N ATOM 1229 CA GLN B 19 -12.220 4.495 1.721 1.00 0.00 C ATOM 1230 C GLN B 19 -12.756 3.213 2.345 1.00 0.00 C ATOM 1231 O GLN B 19 -12.970 3.143 3.552 1.00 0.00 O ATOM 1232 CB GLN B 19 -13.361 5.495 1.494 1.00 0.00 C ATOM 1233 CG GLN B 19 -14.620 4.869 0.916 1.00 0.00 C ATOM 1234 CD GLN B 19 -15.791 4.930 1.881 1.00 0.00 C ATOM 1235 OE1 GLN B 19 -16.590 5.871 1.855 1.00 0.00 O ATOM 1236 NE2 GLN B 19 -15.887 3.945 2.760 1.00 0.00 N ATOM 0 H GLN B 19 -12.048 4.494 -0.366 1.00 0.00 H new ATOM 0 HA GLN B 19 -11.501 4.946 2.405 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -13.607 5.973 2.442 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -13.015 6.280 0.822 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -14.887 5.382 -0.008 1.00 0.00 H new ATOM 0 HG3 GLN B 19 -14.420 3.829 0.657 1.00 0.00 H new ATOM 0 HE21 GLN B 19 -15.207 3.184 2.750 1.00 0.00 H new ATOM 0 HE22 GLN B 19 -16.641 3.946 3.447 1.00 0.00 H new ATOM 1245 N GLU B 20 -12.993 2.210 1.503 1.00 0.00 N ATOM 1246 CA GLU B 20 -13.380 0.878 1.959 1.00 0.00 C ATOM 1247 C GLU B 20 -12.347 0.344 2.950 1.00 0.00 C ATOM 1248 O GLU B 20 -12.686 -0.337 3.923 1.00 0.00 O ATOM 1249 CB GLU B 20 -13.514 -0.087 0.773 1.00 0.00 C ATOM 1250 CG GLU B 20 -14.461 0.392 -0.323 1.00 0.00 C ATOM 1251 CD GLU B 20 -13.779 1.271 -1.359 1.00 0.00 C ATOM 1252 OE1 GLU B 20 -13.535 2.463 -1.077 1.00 0.00 O ATOM 1253 OE2 GLU B 20 -13.488 0.767 -2.465 1.00 0.00 O ATOM 0 H GLU B 20 -12.922 2.297 0.489 1.00 0.00 H new ATOM 0 HA GLU B 20 -14.348 0.953 2.454 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -12.527 -0.250 0.339 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -13.863 -1.051 1.142 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -14.898 -0.474 -0.821 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -15.282 0.947 0.131 1.00 0.00 H new ATOM 1260 N TRP B 21 -11.093 0.719 2.725 1.00 0.00 N ATOM 1261 CA TRP B 21 -10.011 0.324 3.606 1.00 0.00 C ATOM 1262 C TRP B 21 -10.011 1.201 4.839 1.00 0.00 C ATOM 1263 O TRP B 21 -9.850 0.716 5.946 1.00 0.00 O ATOM 1264 CB TRP B 21 -8.660 0.476 2.920 1.00 0.00 C ATOM 1265 CG TRP B 21 -8.308 -0.596 1.941 1.00 0.00 C ATOM 1266 CD1 TRP B 21 -9.091 -1.602 1.456 1.00 0.00 C ATOM 1267 CD2 TRP B 21 -7.035 -0.748 1.332 1.00 0.00 C ATOM 1268 NE1 TRP B 21 -8.366 -2.369 0.570 1.00 0.00 N ATOM 1269 CE2 TRP B 21 -7.094 -1.859 0.478 1.00 0.00 C ATOM 1270 CE3 TRP B 21 -5.849 -0.036 1.436 1.00 0.00 C ATOM 1271 CZ2 TRP B 21 -5.992 -2.268 -0.276 1.00 0.00 C ATOM 1272 CZ3 TRP B 21 -4.766 -0.436 0.700 1.00 0.00 C ATOM 1273 CH2 TRP B 21 -4.834 -1.538 -0.147 1.00 0.00 C ATOM 0 H TRP B 21 -10.804 1.298 1.936 1.00 0.00 H new ATOM 0 HA TRP B 21 -10.166 -0.721 3.873 1.00 0.00 H new ATOM 0 HB2 TRP B 21 -8.641 1.435 2.403 1.00 0.00 H new ATOM 0 HB3 TRP B 21 -7.886 0.512 3.686 1.00 0.00 H new ATOM 0 HD1 TRP B 21 -10.123 -1.772 1.726 1.00 0.00 H new ATOM 0 HE1 TRP B 21 -8.717 -3.183 0.065 1.00 0.00 H new ATOM 0 HE3 TRP B 21 -5.781 0.822 2.088 1.00 0.00 H new ATOM 0 HZ2 TRP B 21 -6.047 -3.123 -0.934 1.00 0.00 H new ATOM 0 HZ3 TRP B 21 -3.840 0.115 0.778 1.00 0.00 H new ATOM 0 HH2 TRP B 21 -3.961 -1.825 -0.714 1.00 0.00 H new ATOM 1284 N HIS B 22 -10.194 2.501 4.643 1.00 0.00 N ATOM 1285 CA HIS B 22 -10.247 3.429 5.768 1.00 0.00 C ATOM 1286 C HIS B 22 -11.318 2.993 6.757 1.00 0.00 C ATOM 1287 O HIS B 22 -11.111 3.035 7.963 1.00 0.00 O ATOM 1288 CB HIS B 22 -10.515 4.860 5.295 1.00 0.00 C ATOM 1289 CG HIS B 22 -9.364 5.483 4.567 1.00 0.00 C ATOM 1290 ND1 HIS B 22 -8.574 6.470 5.113 1.00 0.00 N ATOM 1291 CD2 HIS B 22 -8.874 5.259 3.327 1.00 0.00 C ATOM 1292 CE1 HIS B 22 -7.653 6.827 4.242 1.00 0.00 C ATOM 1293 NE2 HIS B 22 -7.811 6.107 3.147 1.00 0.00 N ATOM 0 H HIS B 22 -10.307 2.934 3.726 1.00 0.00 H new ATOM 0 HA HIS B 22 -9.276 3.415 6.263 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -11.388 4.859 4.642 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -10.763 5.477 6.158 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -9.250 4.544 2.610 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -6.896 7.582 4.397 1.00 0.00 H new ATOM 0 HE2 HIS B 22 -7.237 6.171 2.306 1.00 0.00 H new ATOM 1302 N ASP B 23 -12.448 2.552 6.230 1.00 0.00 N ATOM 1303 CA ASP B 23 -13.544 2.062 7.055 1.00 0.00 C ATOM 1304 C ASP B 23 -13.101 0.873 7.918 1.00 0.00 C ATOM 1305 O ASP B 23 -12.994 0.982 9.149 1.00 0.00 O ATOM 1306 CB ASP B 23 -14.710 1.648 6.155 1.00 0.00 C ATOM 1307 CG ASP B 23 -15.997 1.432 6.921 1.00 0.00 C ATOM 1308 OD1 ASP B 23 -16.171 0.354 7.517 1.00 0.00 O ATOM 1309 OD2 ASP B 23 -16.854 2.341 6.904 1.00 0.00 O ATOM 0 H ASP B 23 -12.633 2.523 5.227 1.00 0.00 H new ATOM 0 HA ASP B 23 -13.859 2.863 7.724 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.868 2.416 5.398 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -14.448 0.730 5.629 1.00 0.00 H new ATOM 1314 N ARG B 24 -12.772 -0.239 7.264 1.00 0.00 N ATOM 1315 CA ARG B 24 -12.507 -1.490 7.973 1.00 0.00 C ATOM 1316 C ARG B 24 -11.165 -1.453 8.703 1.00 0.00 C ATOM 1317 O ARG B 24 -11.086 -1.779 9.887 1.00 0.00 O ATOM 1318 CB ARG B 24 -12.523 -2.684 7.006 1.00 0.00 C ATOM 1319 CG ARG B 24 -13.911 -3.226 6.677 1.00 0.00 C ATOM 1320 CD ARG B 24 -14.733 -2.263 5.835 1.00 0.00 C ATOM 1321 NE ARG B 24 -15.984 -2.873 5.382 1.00 0.00 N ATOM 1322 CZ ARG B 24 -16.980 -2.207 4.801 1.00 0.00 C ATOM 1323 NH1 ARG B 24 -16.884 -0.898 4.593 1.00 0.00 N ATOM 1324 NH2 ARG B 24 -18.075 -2.853 4.421 1.00 0.00 N ATOM 0 H ARG B 24 -12.683 -0.300 6.250 1.00 0.00 H new ATOM 0 HA ARG B 24 -13.302 -1.609 8.710 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -12.035 -2.387 6.077 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -11.927 -3.489 7.436 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -13.810 -4.172 6.145 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -14.443 -3.437 7.604 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -14.954 -1.368 6.417 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -14.149 -1.945 4.971 1.00 0.00 H new ATOM 0 HE ARG B 24 -16.101 -3.877 5.521 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -16.043 -0.396 4.879 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -17.651 -0.395 4.147 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -18.153 -3.858 4.574 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -18.839 -2.344 3.976 1.00 0.00 H new ATOM 1338 N LEU B 25 -10.126 -1.036 7.996 1.00 0.00 N ATOM 1339 CA LEU B 25 -8.769 -1.066 8.526 1.00 0.00 C ATOM 1340 C LEU B 25 -8.601 -0.101 9.693 1.00 0.00 C ATOM 1341 O LEU B 25 -8.014 -0.462 10.708 1.00 0.00 O ATOM 1342 CB LEU B 25 -7.736 -0.750 7.433 1.00 0.00 C ATOM 1343 CG LEU B 25 -7.395 -1.899 6.468 1.00 0.00 C ATOM 1344 CD1 LEU B 25 -6.782 -3.065 7.228 1.00 0.00 C ATOM 1345 CD2 LEU B 25 -8.618 -2.357 5.681 1.00 0.00 C ATOM 0 H LEU B 25 -10.197 -0.670 7.047 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.594 -2.078 8.890 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -8.104 0.092 6.847 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -6.815 -0.424 7.916 1.00 0.00 H new ATOM 0 HG LEU B 25 -6.666 -1.523 5.751 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -6.546 -3.870 6.532 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -5.869 -2.736 7.725 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -7.491 -3.426 7.973 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -8.336 -3.169 5.011 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -9.385 -2.706 6.372 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -9.008 -1.523 5.097 1.00 0.00 H new ATOM 1357 N MET B 26 -9.109 1.124 9.561 1.00 0.00 N ATOM 1358 CA MET B 26 -8.959 2.105 10.629 1.00 0.00 C ATOM 1359 C MET B 26 -9.718 1.703 11.877 1.00 0.00 C ATOM 1360 O MET B 26 -9.300 2.036 12.984 1.00 0.00 O ATOM 1361 CB MET B 26 -9.371 3.505 10.183 1.00 0.00 C ATOM 1362 CG MET B 26 -8.329 4.190 9.320 1.00 0.00 C ATOM 1363 SD MET B 26 -6.795 4.502 10.215 1.00 0.00 S ATOM 1364 CE MET B 26 -7.367 5.579 11.526 1.00 0.00 C ATOM 0 H MET B 26 -9.618 1.454 8.741 1.00 0.00 H new ATOM 0 HA MET B 26 -7.897 2.130 10.873 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.307 3.441 9.629 1.00 0.00 H new ATOM 0 HB3 MET B 26 -9.563 4.118 11.064 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.119 3.571 8.448 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.730 5.134 8.951 1.00 0.00 H new ATOM 0 HE1 MET B 26 -6.661 6.399 11.658 1.00 0.00 H new ATOM 0 HE2 MET B 26 -8.346 5.982 11.265 1.00 0.00 H new ATOM 0 HE3 MET B 26 -7.443 5.013 12.454 1.00 0.00 H new ATOM 1374 N GLU B 27 -10.826 0.987 11.722 1.00 0.00 N ATOM 1375 CA GLU B 27 -11.529 0.486 12.891 1.00 0.00 C ATOM 1376 C GLU B 27 -10.645 -0.527 13.620 1.00 0.00 C ATOM 1377 O GLU B 27 -10.582 -0.554 14.855 1.00 0.00 O ATOM 1378 CB GLU B 27 -12.864 -0.142 12.495 1.00 0.00 C ATOM 1379 CG GLU B 27 -13.809 -0.332 13.669 1.00 0.00 C ATOM 1380 CD GLU B 27 -14.036 0.959 14.431 1.00 0.00 C ATOM 1381 OE1 GLU B 27 -14.339 1.988 13.793 1.00 0.00 O ATOM 1382 OE2 GLU B 27 -13.895 0.960 15.671 1.00 0.00 O ATOM 0 H GLU B 27 -11.246 0.747 10.824 1.00 0.00 H new ATOM 0 HA GLU B 27 -11.744 1.318 13.561 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -13.346 0.487 11.747 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -12.678 -1.109 12.026 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -14.764 -0.712 13.307 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -13.402 -1.084 14.344 1.00 0.00 H new ATOM 1389 N ILE B 28 -9.928 -1.328 12.843 1.00 0.00 N ATOM 1390 CA ILE B 28 -8.970 -2.275 13.394 1.00 0.00 C ATOM 1391 C ILE B 28 -7.819 -1.515 14.049 1.00 0.00 C ATOM 1392 O ILE B 28 -7.297 -1.913 15.094 1.00 0.00 O ATOM 1393 CB ILE B 28 -8.413 -3.213 12.300 1.00 0.00 C ATOM 1394 CG1 ILE B 28 -9.548 -4.019 11.659 1.00 0.00 C ATOM 1395 CG2 ILE B 28 -7.353 -4.145 12.874 1.00 0.00 C ATOM 1396 CD1 ILE B 28 -9.097 -4.891 10.506 1.00 0.00 C ATOM 0 H ILE B 28 -9.993 -1.340 11.825 1.00 0.00 H new ATOM 0 HA ILE B 28 -9.485 -2.886 14.136 1.00 0.00 H new ATOM 0 HB ILE B 28 -7.945 -2.600 11.530 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -10.010 -4.648 12.420 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -10.316 -3.331 11.305 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -6.975 -4.796 12.086 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -6.532 -3.555 13.282 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -7.792 -4.752 13.666 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -9.953 -5.432 10.102 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -8.661 -4.266 9.726 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -8.351 -5.604 10.859 1.00 0.00 H new ATOM 1408 N ALA B 29 -7.449 -0.406 13.420 1.00 0.00 N ATOM 1409 CA ALA B 29 -6.374 0.450 13.898 1.00 0.00 C ATOM 1410 C ALA B 29 -6.698 1.045 15.265 1.00 0.00 C ATOM 1411 O ALA B 29 -5.800 1.357 16.043 1.00 0.00 O ATOM 1412 CB ALA B 29 -6.092 1.549 12.884 1.00 0.00 C ATOM 0 H ALA B 29 -7.889 -0.075 12.561 1.00 0.00 H new ATOM 0 HA ALA B 29 -5.479 -0.162 14.014 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -5.286 2.184 13.251 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -5.798 1.101 11.935 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -6.990 2.150 12.739 1.00 0.00 H new ATOM 1418 N LYS B 30 -7.981 1.168 15.575 1.00 0.00 N ATOM 1419 CA LYS B 30 -8.395 1.695 16.868 1.00 0.00 C ATOM 1420 C LYS B 30 -8.242 0.615 17.915 1.00 0.00 C ATOM 1421 O LYS B 30 -7.749 0.857 19.014 1.00 0.00 O ATOM 1422 CB LYS B 30 -9.857 2.148 16.837 1.00 0.00 C ATOM 1423 CG LYS B 30 -10.185 3.100 15.703 1.00 0.00 C ATOM 1424 CD LYS B 30 -9.391 4.388 15.798 1.00 0.00 C ATOM 1425 CE LYS B 30 -9.663 5.295 14.610 1.00 0.00 C ATOM 1426 NZ LYS B 30 -11.105 5.635 14.482 1.00 0.00 N ATOM 0 H LYS B 30 -8.749 0.912 14.954 1.00 0.00 H new ATOM 0 HA LYS B 30 -7.768 2.554 17.105 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -10.497 1.269 16.756 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -10.097 2.631 17.784 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -9.976 2.614 14.750 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -11.251 3.329 15.718 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -9.647 4.908 16.721 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -8.327 4.158 15.846 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -9.083 6.212 14.715 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -9.324 4.806 13.697 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -11.222 6.395 13.782 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -11.634 4.795 14.172 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -11.470 5.953 15.403 1.00 0.00 H new ATOM 1440 N GLU B 31 -8.659 -0.583 17.545 1.00 0.00 N ATOM 1441 CA GLU B 31 -8.580 -1.733 18.425 1.00 0.00 C ATOM 1442 C GLU B 31 -7.119 -2.042 18.773 1.00 0.00 C ATOM 1443 O GLU B 31 -6.771 -2.235 19.936 1.00 0.00 O ATOM 1444 CB GLU B 31 -9.234 -2.943 17.745 1.00 0.00 C ATOM 1445 CG GLU B 31 -9.909 -3.923 18.697 1.00 0.00 C ATOM 1446 CD GLU B 31 -8.959 -4.519 19.714 1.00 0.00 C ATOM 1447 OE1 GLU B 31 -8.111 -5.348 19.326 1.00 0.00 O ATOM 1448 OE2 GLU B 31 -9.050 -4.148 20.901 1.00 0.00 O ATOM 0 H GLU B 31 -9.060 -0.785 16.629 1.00 0.00 H new ATOM 0 HA GLU B 31 -9.111 -1.511 19.351 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -9.974 -2.584 17.030 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -8.473 -3.477 17.175 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -10.717 -3.412 19.220 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -10.362 -4.728 18.118 1.00 0.00 H new ATOM 1455 N LYS B 32 -6.264 -2.046 17.758 1.00 0.00 N ATOM 1456 CA LYS B 32 -4.882 -2.499 17.908 1.00 0.00 C ATOM 1457 C LYS B 32 -3.913 -1.363 18.246 1.00 0.00 C ATOM 1458 O LYS B 32 -2.717 -1.603 18.427 1.00 0.00 O ATOM 1459 CB LYS B 32 -4.427 -3.226 16.641 1.00 0.00 C ATOM 1460 CG LYS B 32 -5.172 -4.532 16.393 1.00 0.00 C ATOM 1461 CD LYS B 32 -4.949 -5.520 17.530 1.00 0.00 C ATOM 1462 CE LYS B 32 -5.678 -6.839 17.293 1.00 0.00 C ATOM 1463 NZ LYS B 32 -7.157 -6.678 17.297 1.00 0.00 N ATOM 0 H LYS B 32 -6.503 -1.739 16.815 1.00 0.00 H new ATOM 0 HA LYS B 32 -4.864 -3.186 18.754 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -4.567 -2.568 15.783 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -3.359 -3.433 16.713 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -6.238 -4.331 16.287 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -4.836 -4.972 15.454 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -3.881 -5.711 17.640 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -5.292 -5.079 18.466 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -5.363 -7.258 16.337 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -5.391 -7.553 18.064 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -7.603 -7.571 17.589 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -7.422 -5.925 17.963 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -7.481 -6.425 16.342 1.00 0.00 H new ATOM 1477 N ASN B 33 -4.434 -0.134 18.315 1.00 0.00 N ATOM 1478 CA ASN B 33 -3.635 1.051 18.674 1.00 0.00 C ATOM 1479 C ASN B 33 -2.608 1.383 17.594 1.00 0.00 C ATOM 1480 O ASN B 33 -1.419 1.555 17.874 1.00 0.00 O ATOM 1481 CB ASN B 33 -2.924 0.863 20.022 1.00 0.00 C ATOM 1482 CG ASN B 33 -3.885 0.728 21.185 1.00 0.00 C ATOM 1483 OD1 ASN B 33 -4.289 -0.378 21.554 1.00 0.00 O ATOM 1484 ND2 ASN B 33 -4.246 1.853 21.778 1.00 0.00 N ATOM 0 H ASN B 33 -5.415 0.071 18.126 1.00 0.00 H new ATOM 0 HA ASN B 33 -4.332 1.884 18.760 1.00 0.00 H new ATOM 0 HB2 ASN B 33 -2.294 -0.025 19.973 1.00 0.00 H new ATOM 0 HB3 ASN B 33 -2.264 1.712 20.200 1.00 0.00 H new ATOM 0 HD21 ASN B 33 -4.883 1.828 22.574 1.00 0.00 H new ATOM 0 HD22 ASN B 33 -3.887 2.746 21.439 1.00 0.00 H new ATOM 1491 N LEU B 34 -3.085 1.488 16.366 1.00 0.00 N ATOM 1492 CA LEU B 34 -2.242 1.761 15.210 1.00 0.00 C ATOM 1493 C LEU B 34 -2.887 2.831 14.339 1.00 0.00 C ATOM 1494 O LEU B 34 -4.049 3.187 14.541 1.00 0.00 O ATOM 1495 CB LEU B 34 -2.048 0.484 14.382 1.00 0.00 C ATOM 1496 CG LEU B 34 -1.323 -0.663 15.090 1.00 0.00 C ATOM 1497 CD1 LEU B 34 -1.367 -1.922 14.241 1.00 0.00 C ATOM 1498 CD2 LEU B 34 0.119 -0.279 15.384 1.00 0.00 C ATOM 0 H LEU B 34 -4.074 1.386 16.139 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.272 2.112 15.562 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.027 0.128 14.063 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.492 0.739 13.480 1.00 0.00 H new ATOM 0 HG LEU B 34 -1.831 -0.860 16.034 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -0.847 -2.728 14.759 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.404 -2.210 14.071 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -0.881 -1.733 13.284 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.620 -1.106 15.888 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.634 -0.057 14.449 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.137 0.602 16.026 1.00 0.00 H new ATOM 1510 N THR B 35 -2.130 3.373 13.400 1.00 0.00 N ATOM 1511 CA THR B 35 -2.707 4.224 12.371 1.00 0.00 C ATOM 1512 C THR B 35 -2.778 3.447 11.068 1.00 0.00 C ATOM 1513 O THR B 35 -2.127 2.409 10.941 1.00 0.00 O ATOM 1514 CB THR B 35 -1.885 5.509 12.137 1.00 0.00 C ATOM 1515 OG1 THR B 35 -0.556 5.176 11.718 1.00 0.00 O ATOM 1516 CG2 THR B 35 -1.826 6.358 13.394 1.00 0.00 C ATOM 0 H THR B 35 -1.121 3.241 13.328 1.00 0.00 H new ATOM 0 HA THR B 35 -3.699 4.521 12.711 1.00 0.00 H new ATOM 0 HB THR B 35 -2.379 6.085 11.354 1.00 0.00 H new ATOM 0 HG1 THR B 35 -0.004 4.984 12.504 1.00 0.00 H new ATOM 0 HG21 THR B 35 -1.240 7.256 13.199 1.00 0.00 H new ATOM 0 HG22 THR B 35 -2.836 6.640 13.690 1.00 0.00 H new ATOM 0 HG23 THR B 35 -1.359 5.788 14.197 1.00 0.00 H new ATOM 1524 N LEU B 36 -3.553 3.925 10.107 1.00 0.00 N ATOM 1525 CA LEU B 36 -3.602 3.284 8.798 1.00 0.00 C ATOM 1526 C LEU B 36 -2.199 3.209 8.201 1.00 0.00 C ATOM 1527 O LEU B 36 -1.814 2.195 7.616 1.00 0.00 O ATOM 1528 CB LEU B 36 -4.557 4.023 7.843 1.00 0.00 C ATOM 1529 CG LEU B 36 -4.156 5.445 7.414 1.00 0.00 C ATOM 1530 CD1 LEU B 36 -5.090 5.932 6.324 1.00 0.00 C ATOM 1531 CD2 LEU B 36 -4.183 6.421 8.583 1.00 0.00 C ATOM 0 H LEU B 36 -4.151 4.745 10.204 1.00 0.00 H new ATOM 0 HA LEU B 36 -3.988 2.273 8.930 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.672 3.418 6.944 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -5.537 4.076 8.318 1.00 0.00 H new ATOM 0 HG LEU B 36 -3.133 5.402 7.040 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -4.803 6.939 6.022 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -5.026 5.264 5.465 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.113 5.943 6.700 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.893 7.413 8.236 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -5.189 6.462 9.000 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -3.486 6.088 9.351 1.00 0.00 H new ATOM 1543 N SER B 37 -1.436 4.279 8.392 1.00 0.00 N ATOM 1544 CA SER B 37 -0.050 4.333 7.959 1.00 0.00 C ATOM 1545 C SER B 37 0.752 3.182 8.563 1.00 0.00 C ATOM 1546 O SER B 37 1.533 2.525 7.871 1.00 0.00 O ATOM 1547 CB SER B 37 0.555 5.672 8.375 1.00 0.00 C ATOM 1548 OG SER B 37 -0.273 6.747 7.965 1.00 0.00 O ATOM 0 H SER B 37 -1.762 5.130 8.850 1.00 0.00 H new ATOM 0 HA SER B 37 -0.013 4.236 6.874 1.00 0.00 H new ATOM 0 HB2 SER B 37 0.683 5.698 9.457 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.546 5.781 7.934 1.00 0.00 H new ATOM 0 HG SER B 37 0.278 7.541 7.804 1.00 0.00 H new ATOM 1554 N ASP B 38 0.534 2.926 9.853 1.00 0.00 N ATOM 1555 CA ASP B 38 1.232 1.851 10.550 1.00 0.00 C ATOM 1556 C ASP B 38 0.858 0.505 9.963 1.00 0.00 C ATOM 1557 O ASP B 38 1.725 -0.319 9.694 1.00 0.00 O ATOM 1558 CB ASP B 38 0.913 1.834 12.050 1.00 0.00 C ATOM 1559 CG ASP B 38 1.476 3.020 12.801 1.00 0.00 C ATOM 1560 OD1 ASP B 38 2.701 3.239 12.744 1.00 0.00 O ATOM 1561 OD2 ASP B 38 0.689 3.737 13.454 1.00 0.00 O ATOM 0 H ASP B 38 -0.121 3.449 10.434 1.00 0.00 H new ATOM 0 HA ASP B 38 2.298 2.037 10.421 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -0.169 1.810 12.183 1.00 0.00 H new ATOM 0 HB3 ASP B 38 1.308 0.917 12.487 1.00 0.00 H new ATOM 1566 N VAL B 39 -0.432 0.300 9.741 1.00 0.00 N ATOM 1567 CA VAL B 39 -0.935 -0.988 9.280 1.00 0.00 C ATOM 1568 C VAL B 39 -0.355 -1.350 7.916 1.00 0.00 C ATOM 1569 O VAL B 39 0.058 -2.490 7.699 1.00 0.00 O ATOM 1570 CB VAL B 39 -2.478 -0.995 9.202 1.00 0.00 C ATOM 1571 CG1 VAL B 39 -2.998 -2.358 8.764 1.00 0.00 C ATOM 1572 CG2 VAL B 39 -3.085 -0.604 10.542 1.00 0.00 C ATOM 0 H VAL B 39 -1.152 1.010 9.873 1.00 0.00 H new ATOM 0 HA VAL B 39 -0.617 -1.733 10.009 1.00 0.00 H new ATOM 0 HB VAL B 39 -2.778 -0.260 8.455 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -4.087 -2.334 8.718 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -2.598 -2.601 7.780 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -2.682 -3.116 9.481 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -4.172 -0.615 10.466 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -2.767 -1.313 11.306 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -2.750 0.397 10.815 1.00 0.00 H new ATOM 1582 N CYS B 40 -0.287 -0.375 7.014 1.00 0.00 N ATOM 1583 CA CYS B 40 0.221 -0.624 5.670 1.00 0.00 C ATOM 1584 C CYS B 40 1.694 -1.042 5.719 1.00 0.00 C ATOM 1585 O CYS B 40 2.059 -2.120 5.251 1.00 0.00 O ATOM 1586 CB CYS B 40 0.038 0.615 4.785 1.00 0.00 C ATOM 1587 SG CYS B 40 -1.621 1.334 4.838 1.00 0.00 S ATOM 0 H CYS B 40 -0.575 0.588 7.188 1.00 0.00 H new ATOM 0 HA CYS B 40 -0.352 -1.442 5.233 1.00 0.00 H new ATOM 0 HB2 CYS B 40 0.759 1.373 5.089 1.00 0.00 H new ATOM 0 HB3 CYS B 40 0.272 0.348 3.754 1.00 0.00 H new ATOM 0 HG CYS B 40 -1.974 1.519 6.075 1.00 0.00 H new ATOM 1593 N ARG B 41 2.536 -0.196 6.304 1.00 0.00 N ATOM 1594 CA ARG B 41 3.958 -0.499 6.430 1.00 0.00 C ATOM 1595 C ARG B 41 4.229 -1.751 7.275 1.00 0.00 C ATOM 1596 O ARG B 41 5.164 -2.492 6.991 1.00 0.00 O ATOM 1597 CB ARG B 41 4.725 0.712 6.971 1.00 0.00 C ATOM 1598 CG ARG B 41 4.241 1.245 8.311 1.00 0.00 C ATOM 1599 CD ARG B 41 4.949 0.590 9.484 1.00 0.00 C ATOM 1600 NE ARG B 41 4.576 1.220 10.751 1.00 0.00 N ATOM 1601 CZ ARG B 41 5.232 1.060 11.900 1.00 0.00 C ATOM 1602 NH1 ARG B 41 6.314 0.291 11.963 1.00 0.00 N ATOM 1603 NH2 ARG B 41 4.808 1.681 12.989 1.00 0.00 N ATOM 0 H ARG B 41 2.259 0.703 6.698 1.00 0.00 H new ATOM 0 HA ARG B 41 4.323 -0.722 5.427 1.00 0.00 H new ATOM 0 HB2 ARG B 41 5.777 0.442 7.065 1.00 0.00 H new ATOM 0 HB3 ARG B 41 4.666 1.516 6.237 1.00 0.00 H new ATOM 0 HG2 ARG B 41 4.401 2.323 8.349 1.00 0.00 H new ATOM 0 HG3 ARG B 41 3.167 1.078 8.399 1.00 0.00 H new ATOM 0 HD2 ARG B 41 4.699 -0.471 9.516 1.00 0.00 H new ATOM 0 HD3 ARG B 41 6.028 0.659 9.345 1.00 0.00 H new ATOM 0 HE ARG B 41 3.755 1.825 10.755 1.00 0.00 H new ATOM 0 HH11 ARG B 41 6.651 -0.185 11.126 1.00 0.00 H new ATOM 0 HH12 ARG B 41 6.807 0.176 12.848 1.00 0.00 H new ATOM 0 HH21 ARG B 41 3.983 2.279 12.947 1.00 0.00 H new ATOM 0 HH22 ARG B 41 5.307 1.562 13.871 1.00 0.00 H new ATOM 1617 N LEU B 42 3.415 -2.012 8.290 1.00 0.00 N ATOM 1618 CA LEU B 42 3.609 -3.214 9.101 1.00 0.00 C ATOM 1619 C LEU B 42 3.341 -4.449 8.260 1.00 0.00 C ATOM 1620 O LEU B 42 3.970 -5.494 8.436 1.00 0.00 O ATOM 1621 CB LEU B 42 2.703 -3.210 10.332 1.00 0.00 C ATOM 1622 CG LEU B 42 3.133 -2.254 11.447 1.00 0.00 C ATOM 1623 CD1 LEU B 42 2.124 -2.268 12.581 1.00 0.00 C ATOM 1624 CD2 LEU B 42 4.514 -2.629 11.962 1.00 0.00 C ATOM 0 H LEU B 42 2.630 -1.424 8.570 1.00 0.00 H new ATOM 0 HA LEU B 42 4.642 -3.226 9.448 1.00 0.00 H new ATOM 0 HB2 LEU B 42 1.692 -2.949 10.020 1.00 0.00 H new ATOM 0 HB3 LEU B 42 2.661 -4.221 10.737 1.00 0.00 H new ATOM 0 HG LEU B 42 3.176 -1.245 11.038 1.00 0.00 H new ATOM 0 HD11 LEU B 42 2.447 -1.582 13.364 1.00 0.00 H new ATOM 0 HD12 LEU B 42 1.150 -1.956 12.205 1.00 0.00 H new ATOM 0 HD13 LEU B 42 2.050 -3.276 12.989 1.00 0.00 H new ATOM 0 HD21 LEU B 42 4.806 -1.940 12.755 1.00 0.00 H new ATOM 0 HD22 LEU B 42 4.492 -3.646 12.355 1.00 0.00 H new ATOM 0 HD23 LEU B 42 5.235 -2.570 11.146 1.00 0.00 H new ATOM 1636 N ALA B 43 2.427 -4.305 7.320 1.00 0.00 N ATOM 1637 CA ALA B 43 2.130 -5.365 6.388 1.00 0.00 C ATOM 1638 C ALA B 43 3.259 -5.513 5.372 1.00 0.00 C ATOM 1639 O ALA B 43 3.410 -6.564 4.763 1.00 0.00 O ATOM 1640 CB ALA B 43 0.816 -5.094 5.692 1.00 0.00 C ATOM 0 H ALA B 43 1.876 -3.457 7.185 1.00 0.00 H new ATOM 0 HA ALA B 43 2.042 -6.302 6.938 1.00 0.00 H new ATOM 0 HB1 ALA B 43 0.602 -5.901 4.991 1.00 0.00 H new ATOM 0 HB2 ALA B 43 0.018 -5.035 6.432 1.00 0.00 H new ATOM 0 HB3 ALA B 43 0.879 -4.150 5.151 1.00 0.00 H new ATOM 1646 N ILE B 44 4.043 -4.449 5.190 1.00 0.00 N ATOM 1647 CA ILE B 44 5.229 -4.509 4.341 1.00 0.00 C ATOM 1648 C ILE B 44 6.253 -5.419 4.986 1.00 0.00 C ATOM 1649 O ILE B 44 6.893 -6.231 4.323 1.00 0.00 O ATOM 1650 CB ILE B 44 5.873 -3.119 4.108 1.00 0.00 C ATOM 1651 CG1 ILE B 44 4.915 -2.190 3.361 1.00 0.00 C ATOM 1652 CG2 ILE B 44 7.184 -3.256 3.338 1.00 0.00 C ATOM 1653 CD1 ILE B 44 5.493 -0.810 3.105 1.00 0.00 C ATOM 0 H ILE B 44 3.877 -3.539 5.619 1.00 0.00 H new ATOM 0 HA ILE B 44 4.913 -4.891 3.370 1.00 0.00 H new ATOM 0 HB ILE B 44 6.085 -2.680 5.083 1.00 0.00 H new ATOM 0 HG12 ILE B 44 4.647 -2.646 2.408 1.00 0.00 H new ATOM 0 HG13 ILE B 44 3.995 -2.090 3.937 1.00 0.00 H new ATOM 0 HG21 ILE B 44 7.621 -2.269 3.184 1.00 0.00 H new ATOM 0 HG22 ILE B 44 7.877 -3.875 3.907 1.00 0.00 H new ATOM 0 HG23 ILE B 44 6.991 -3.722 2.372 1.00 0.00 H new ATOM 0 HD11 ILE B 44 4.762 -0.202 2.572 1.00 0.00 H new ATOM 0 HD12 ILE B 44 5.735 -0.335 4.056 1.00 0.00 H new ATOM 0 HD13 ILE B 44 6.397 -0.900 2.503 1.00 0.00 H new ATOM 1665 N LYS B 45 6.392 -5.279 6.297 1.00 0.00 N ATOM 1666 CA LYS B 45 7.285 -6.127 7.060 1.00 0.00 C ATOM 1667 C LYS B 45 6.894 -7.589 6.884 1.00 0.00 C ATOM 1668 O LYS B 45 7.753 -8.455 6.736 1.00 0.00 O ATOM 1669 CB LYS B 45 7.256 -5.739 8.538 1.00 0.00 C ATOM 1670 CG LYS B 45 8.202 -6.553 9.404 1.00 0.00 C ATOM 1671 CD LYS B 45 9.656 -6.314 9.027 1.00 0.00 C ATOM 1672 CE LYS B 45 10.601 -7.133 9.894 1.00 0.00 C ATOM 1673 NZ LYS B 45 10.456 -8.596 9.663 1.00 0.00 N ATOM 0 H LYS B 45 5.894 -4.583 6.852 1.00 0.00 H new ATOM 0 HA LYS B 45 8.301 -5.990 6.690 1.00 0.00 H new ATOM 0 HB2 LYS B 45 7.510 -4.683 8.632 1.00 0.00 H new ATOM 0 HB3 LYS B 45 6.240 -5.857 8.915 1.00 0.00 H new ATOM 0 HG2 LYS B 45 8.050 -6.294 10.452 1.00 0.00 H new ATOM 0 HG3 LYS B 45 7.969 -7.613 9.301 1.00 0.00 H new ATOM 0 HD2 LYS B 45 9.808 -6.571 7.979 1.00 0.00 H new ATOM 0 HD3 LYS B 45 9.890 -5.255 9.132 1.00 0.00 H new ATOM 0 HE2 LYS B 45 11.629 -6.835 9.688 1.00 0.00 H new ATOM 0 HE3 LYS B 45 10.410 -6.913 10.944 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 11.154 -9.109 10.238 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 9.498 -8.897 9.933 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 10.614 -8.806 8.657 1.00 0.00 H new ATOM 1687 N GLU B 46 5.591 -7.849 6.881 1.00 0.00 N ATOM 1688 CA GLU B 46 5.072 -9.191 6.658 1.00 0.00 C ATOM 1689 C GLU B 46 5.298 -9.602 5.207 1.00 0.00 C ATOM 1690 O GLU B 46 5.643 -10.741 4.912 1.00 0.00 O ATOM 1691 CB GLU B 46 3.577 -9.229 6.992 1.00 0.00 C ATOM 1692 CG GLU B 46 2.928 -10.584 6.770 1.00 0.00 C ATOM 1693 CD GLU B 46 3.501 -11.661 7.665 1.00 0.00 C ATOM 1694 OE1 GLU B 46 3.026 -11.802 8.809 1.00 0.00 O ATOM 1695 OE2 GLU B 46 4.417 -12.384 7.228 1.00 0.00 O ATOM 0 H GLU B 46 4.872 -7.142 7.032 1.00 0.00 H new ATOM 0 HA GLU B 46 5.598 -9.892 7.306 1.00 0.00 H new ATOM 0 HB2 GLU B 46 3.441 -8.939 8.034 1.00 0.00 H new ATOM 0 HB3 GLU B 46 3.060 -8.486 6.384 1.00 0.00 H new ATOM 0 HG2 GLU B 46 1.856 -10.502 6.948 1.00 0.00 H new ATOM 0 HG3 GLU B 46 3.056 -10.877 5.728 1.00 0.00 H new ATOM 1702 N TYR B 47 5.127 -8.641 4.311 1.00 0.00 N ATOM 1703 CA TYR B 47 5.262 -8.873 2.885 1.00 0.00 C ATOM 1704 C TYR B 47 6.688 -9.316 2.562 1.00 0.00 C ATOM 1705 O TYR B 47 6.904 -10.249 1.785 1.00 0.00 O ATOM 1706 CB TYR B 47 4.916 -7.590 2.123 1.00 0.00 C ATOM 1707 CG TYR B 47 4.603 -7.798 0.658 1.00 0.00 C ATOM 1708 CD1 TYR B 47 3.383 -8.330 0.266 1.00 0.00 C ATOM 1709 CD2 TYR B 47 5.519 -7.455 -0.327 1.00 0.00 C ATOM 1710 CE1 TYR B 47 3.083 -8.518 -1.067 1.00 0.00 C ATOM 1711 CE2 TYR B 47 5.224 -7.638 -1.666 1.00 0.00 C ATOM 1712 CZ TYR B 47 4.004 -8.170 -2.029 1.00 0.00 C ATOM 1713 OH TYR B 47 3.705 -8.359 -3.359 1.00 0.00 O ATOM 0 H TYR B 47 4.891 -7.679 4.555 1.00 0.00 H new ATOM 0 HA TYR B 47 4.576 -9.663 2.579 1.00 0.00 H new ATOM 0 HB2 TYR B 47 4.058 -7.118 2.602 1.00 0.00 H new ATOM 0 HB3 TYR B 47 5.751 -6.895 2.208 1.00 0.00 H new ATOM 0 HD1 TYR B 47 2.656 -8.601 1.017 1.00 0.00 H new ATOM 0 HD2 TYR B 47 6.475 -7.040 -0.044 1.00 0.00 H new ATOM 0 HE1 TYR B 47 2.130 -8.936 -1.355 1.00 0.00 H new ATOM 0 HE2 TYR B 47 5.945 -7.366 -2.423 1.00 0.00 H new ATOM 0 HH TYR B 47 4.459 -8.062 -3.909 1.00 0.00 H new ATOM 1723 N LEU B 48 7.650 -8.635 3.173 1.00 0.00 N ATOM 1724 CA LEU B 48 9.059 -8.976 3.023 1.00 0.00 C ATOM 1725 C LEU B 48 9.370 -10.298 3.712 1.00 0.00 C ATOM 1726 O LEU B 48 9.849 -11.240 3.082 1.00 0.00 O ATOM 1727 CB LEU B 48 9.948 -7.876 3.619 1.00 0.00 C ATOM 1728 CG LEU B 48 9.690 -6.462 3.097 1.00 0.00 C ATOM 1729 CD1 LEU B 48 10.638 -5.474 3.755 1.00 0.00 C ATOM 1730 CD2 LEU B 48 9.829 -6.406 1.582 1.00 0.00 C ATOM 0 H LEU B 48 7.477 -7.836 3.783 1.00 0.00 H new ATOM 0 HA LEU B 48 9.266 -9.069 1.957 1.00 0.00 H new ATOM 0 HB2 LEU B 48 9.816 -7.874 4.701 1.00 0.00 H new ATOM 0 HB3 LEU B 48 10.990 -8.131 3.425 1.00 0.00 H new ATOM 0 HG LEU B 48 8.667 -6.187 3.352 1.00 0.00 H new ATOM 0 HD11 LEU B 48 10.442 -4.472 3.373 1.00 0.00 H new ATOM 0 HD12 LEU B 48 10.486 -5.487 4.834 1.00 0.00 H new ATOM 0 HD13 LEU B 48 11.668 -5.753 3.530 1.00 0.00 H new ATOM 0 HD21 LEU B 48 9.641 -5.389 1.237 1.00 0.00 H new ATOM 0 HD22 LEU B 48 10.838 -6.705 1.298 1.00 0.00 H new ATOM 0 HD23 LEU B 48 9.108 -7.084 1.125 1.00 0.00 H new ATOM 1742 N ASP B 49 9.060 -10.356 5.007 1.00 0.00 N ATOM 1743 CA ASP B 49 9.435 -11.480 5.868 1.00 0.00 C ATOM 1744 C ASP B 49 8.772 -12.789 5.443 1.00 0.00 C ATOM 1745 O ASP B 49 9.182 -13.868 5.873 1.00 0.00 O ATOM 1746 CB ASP B 49 9.069 -11.154 7.315 1.00 0.00 C ATOM 1747 CG ASP B 49 9.629 -12.154 8.308 1.00 0.00 C ATOM 1748 OD1 ASP B 49 10.831 -12.067 8.628 1.00 0.00 O ATOM 1749 OD2 ASP B 49 8.863 -13.023 8.776 1.00 0.00 O ATOM 0 H ASP B 49 8.540 -9.624 5.491 1.00 0.00 H new ATOM 0 HA ASP B 49 10.511 -11.623 5.774 1.00 0.00 H new ATOM 0 HB2 ASP B 49 9.439 -10.159 7.562 1.00 0.00 H new ATOM 0 HB3 ASP B 49 7.984 -11.124 7.411 1.00 0.00 H new ATOM 1754 N ASN B 50 7.769 -12.696 4.583 1.00 0.00 N ATOM 1755 CA ASN B 50 7.057 -13.875 4.120 1.00 0.00 C ATOM 1756 C ASN B 50 7.972 -14.714 3.239 1.00 0.00 C ATOM 1757 O ASN B 50 8.238 -15.872 3.544 1.00 0.00 O ATOM 1758 CB ASN B 50 5.795 -13.453 3.350 1.00 0.00 C ATOM 1759 CG ASN B 50 4.927 -14.615 2.882 1.00 0.00 C ATOM 1760 OD1 ASN B 50 5.414 -15.683 2.510 1.00 0.00 O ATOM 1761 ND2 ASN B 50 3.620 -14.406 2.897 1.00 0.00 N ATOM 0 H ASN B 50 7.431 -11.817 4.192 1.00 0.00 H new ATOM 0 HA ASN B 50 6.753 -14.477 4.976 1.00 0.00 H new ATOM 0 HB2 ASN B 50 5.196 -12.801 3.986 1.00 0.00 H new ATOM 0 HB3 ASN B 50 6.093 -12.865 2.482 1.00 0.00 H new ATOM 0 HD21 ASN B 50 2.982 -15.142 2.594 1.00 0.00 H new ATOM 0 HD22 ASN B 50 3.251 -13.509 3.211 1.00 0.00 H new ATOM 1768 N HIS B 51 8.479 -14.124 2.165 1.00 0.00 N ATOM 1769 CA HIS B 51 9.371 -14.852 1.267 1.00 0.00 C ATOM 1770 C HIS B 51 10.836 -14.598 1.608 1.00 0.00 C ATOM 1771 O HIS B 51 11.715 -15.336 1.165 1.00 0.00 O ATOM 1772 CB HIS B 51 9.089 -14.513 -0.205 1.00 0.00 C ATOM 1773 CG HIS B 51 9.238 -13.064 -0.557 1.00 0.00 C ATOM 1774 ND1 HIS B 51 8.186 -12.175 -0.540 1.00 0.00 N ATOM 1775 CD2 HIS B 51 10.320 -12.354 -0.945 1.00 0.00 C ATOM 1776 CE1 HIS B 51 8.616 -10.981 -0.903 1.00 0.00 C ATOM 1777 NE2 HIS B 51 9.909 -11.062 -1.155 1.00 0.00 N ATOM 0 H HIS B 51 8.293 -13.158 1.895 1.00 0.00 H new ATOM 0 HA HIS B 51 9.172 -15.914 1.410 1.00 0.00 H new ATOM 0 HB2 HIS B 51 9.763 -15.096 -0.833 1.00 0.00 H new ATOM 0 HB3 HIS B 51 8.074 -14.829 -0.448 1.00 0.00 H new ATOM 0 HD2 HIS B 51 11.324 -12.734 -1.067 1.00 0.00 H new ATOM 0 HE1 HIS B 51 8.012 -10.089 -0.981 1.00 0.00 H new ATOM 0 HE2 HIS B 51 10.505 -10.291 -1.456 1.00 0.00 H new