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: B 47 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 50 ASN : amide:sc= -0.386 X(o=-0.41,f=-0.74) USER MOD Set 1.3: B 51 HIS : no HD1:sc= -0.0278 X(o=-0.41,f=-0.54) USER MOD Single : A 12 LYS NZ :NH3+ -168:sc= -0.0243 (180deg=-0.186) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.23) USER MOD Single : A 22 HIS : no HE2:sc= -7.27! C(o=-7.3!,f=-6.3!) USER MOD Single : A 26 MET CE :methyl 155:sc= -0.496 (180deg=-2.13) USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= -0.109 (180deg=-0.428) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc=-0.00465 K(o=-0.0046,f=-0.88) USER MOD Single : A 35 THR OG1 : rot 83:sc= 1.29 USER MOD Single : A 37 SER OG : rot -146:sc= -0.229! USER MOD Single : A 40 CYS SG : rot -148:sc= -4.31! USER MOD Single : A 45 LYS NZ :NH3+ -164:sc= -0.0687 (180deg=-0.298) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : B 12 LYS NZ :NH3+ -166:sc=-0.00167 (180deg=-0.141) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= 0.0396 X(o=0.04,f=0) USER MOD Single : B 22 HIS : no HD1:sc= -3.84 K(o=-3.8,f=-5) USER MOD Single : B 26 MET CE :methyl 143:sc= -0.207 (180deg=-0.845) USER MOD Single : B 30 LYS NZ :NH3+ -160:sc= -0.0376 (180deg=-0.31) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 35 THR OG1 : rot -63:sc= 1.22 USER MOD Single : B 37 SER OG : rot -169:sc= 1.29 USER MOD Single : B 40 CYS SG : rot 72:sc= -1.59! USER MOD Single : B 45 LYS NZ :NH3+ -161:sc= -0.0616 (180deg=-0.388) USER MOD ----------------------------------------------------------------- ATOM 150 N ILE A 11 -9.027 8.339 1.004 1.00 0.00 N ATOM 151 CA ILE A 11 -8.468 9.252 1.983 1.00 0.00 C ATOM 152 C ILE A 11 -6.946 9.205 1.919 1.00 0.00 C ATOM 153 O ILE A 11 -6.358 8.169 1.579 1.00 0.00 O ATOM 154 CB ILE A 11 -8.950 8.906 3.412 1.00 0.00 C ATOM 155 CG1 ILE A 11 -10.480 8.808 3.458 1.00 0.00 C ATOM 156 CG2 ILE A 11 -8.458 9.938 4.423 1.00 0.00 C ATOM 157 CD1 ILE A 11 -11.193 10.096 3.100 1.00 0.00 C ATOM 0 HA ILE A 11 -8.812 10.259 1.747 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.529 7.937 3.680 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.804 8.024 2.774 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.784 8.503 4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.812 9.670 5.418 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.368 9.961 4.419 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.842 10.922 4.155 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.271 9.943 3.156 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.901 10.880 3.799 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.921 10.393 2.087 1.00 0.00 H new ATOM 169 N LYS A 12 -6.324 10.329 2.244 1.00 0.00 N ATOM 170 CA LYS A 12 -4.883 10.481 2.142 1.00 0.00 C ATOM 171 C LYS A 12 -4.227 10.328 3.509 1.00 0.00 C ATOM 172 O LYS A 12 -4.438 11.136 4.411 1.00 0.00 O ATOM 173 CB LYS A 12 -4.555 11.857 1.553 1.00 0.00 C ATOM 174 CG LYS A 12 -3.069 12.161 1.465 1.00 0.00 C ATOM 175 CD LYS A 12 -2.360 11.246 0.482 1.00 0.00 C ATOM 176 CE LYS A 12 -0.873 11.546 0.427 1.00 0.00 C ATOM 177 NZ LYS A 12 -0.593 12.923 -0.059 1.00 0.00 N ATOM 0 H LYS A 12 -6.806 11.161 2.586 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.492 9.702 1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.988 11.924 0.555 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.035 12.624 2.161 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.928 13.198 1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.618 12.053 2.451 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.513 10.207 0.773 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.795 11.367 -0.510 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.442 11.419 1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.383 10.825 -0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.420 13.016 -0.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.147 13.107 -0.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.856 13.611 0.676 1.00 0.00 H new ATOM 191 N LEU A 13 -3.433 9.280 3.647 1.00 0.00 N ATOM 192 CA LEU A 13 -2.758 8.982 4.897 1.00 0.00 C ATOM 193 C LEU A 13 -1.260 9.201 4.761 1.00 0.00 C ATOM 194 O LEU A 13 -0.733 9.321 3.651 1.00 0.00 O ATOM 195 CB LEU A 13 -3.043 7.541 5.343 1.00 0.00 C ATOM 196 CG LEU A 13 -2.887 6.469 4.258 1.00 0.00 C ATOM 197 CD1 LEU A 13 -2.438 5.153 4.872 1.00 0.00 C ATOM 198 CD2 LEU A 13 -4.202 6.277 3.507 1.00 0.00 C ATOM 0 H LEU A 13 -3.239 8.615 2.899 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.144 9.661 5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.375 7.296 6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.060 7.494 5.731 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.126 6.802 3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.332 4.403 4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.480 5.293 5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.180 4.818 5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.075 5.513 2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.978 5.964 4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.494 7.217 3.038 1.00 0.00 H new ATOM 210 N GLY A 14 -0.578 9.246 5.890 1.00 0.00 N ATOM 211 CA GLY A 14 0.842 9.485 5.875 1.00 0.00 C ATOM 212 C GLY A 14 1.588 8.547 6.793 1.00 0.00 C ATOM 213 O GLY A 14 1.314 8.481 7.993 1.00 0.00 O ATOM 0 H GLY A 14 -0.984 9.121 6.817 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.217 9.370 4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.039 10.515 6.173 1.00 0.00 H new ATOM 217 N VAL A 15 2.527 7.815 6.225 1.00 0.00 N ATOM 218 CA VAL A 15 3.298 6.829 6.963 1.00 0.00 C ATOM 219 C VAL A 15 4.711 7.358 7.215 1.00 0.00 C ATOM 220 O VAL A 15 5.133 8.332 6.586 1.00 0.00 O ATOM 221 CB VAL A 15 3.375 5.493 6.175 1.00 0.00 C ATOM 222 CG1 VAL A 15 3.940 4.368 7.030 1.00 0.00 C ATOM 223 CG2 VAL A 15 2.010 5.106 5.622 1.00 0.00 C ATOM 0 H VAL A 15 2.778 7.886 5.239 1.00 0.00 H new ATOM 0 HA VAL A 15 2.802 6.645 7.916 1.00 0.00 H new ATOM 0 HB VAL A 15 4.056 5.651 5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.978 3.450 6.444 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.945 4.631 7.359 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.302 4.217 7.900 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.092 4.167 5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.305 4.986 6.445 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.655 5.888 4.950 1.00 0.00 H new ATOM 233 N TYR A 16 5.422 6.735 8.145 1.00 0.00 N ATOM 234 CA TYR A 16 6.827 7.034 8.371 1.00 0.00 C ATOM 235 C TYR A 16 7.641 5.755 8.368 1.00 0.00 C ATOM 236 O TYR A 16 7.355 4.822 9.122 1.00 0.00 O ATOM 237 CB TYR A 16 7.043 7.775 9.690 1.00 0.00 C ATOM 238 CG TYR A 16 7.035 9.275 9.545 1.00 0.00 C ATOM 239 CD1 TYR A 16 8.199 9.951 9.228 1.00 0.00 C ATOM 240 CD2 TYR A 16 5.871 10.014 9.716 1.00 0.00 C ATOM 241 CE1 TYR A 16 8.216 11.320 9.082 1.00 0.00 C ATOM 242 CE2 TYR A 16 5.877 11.389 9.573 1.00 0.00 C ATOM 243 CZ TYR A 16 7.052 12.039 9.258 1.00 0.00 C ATOM 244 OH TYR A 16 7.062 13.411 9.109 1.00 0.00 O ATOM 0 H TYR A 16 5.044 6.014 8.759 1.00 0.00 H new ATOM 0 HA TYR A 16 7.158 7.683 7.560 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.264 7.482 10.394 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.995 7.465 10.120 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.114 9.393 9.092 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.950 9.508 9.964 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.135 11.828 8.831 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.965 11.952 9.707 1.00 0.00 H new ATOM 0 HH TYR A 16 6.161 13.764 9.266 1.00 0.00 H new ATOM 254 N ILE A 17 8.637 5.715 7.499 1.00 0.00 N ATOM 255 CA ILE A 17 9.503 4.552 7.370 1.00 0.00 C ATOM 256 C ILE A 17 10.953 4.990 7.182 1.00 0.00 C ATOM 257 O ILE A 17 11.219 6.047 6.601 1.00 0.00 O ATOM 258 CB ILE A 17 9.084 3.640 6.191 1.00 0.00 C ATOM 259 CG1 ILE A 17 9.190 4.381 4.856 1.00 0.00 C ATOM 260 CG2 ILE A 17 7.669 3.113 6.398 1.00 0.00 C ATOM 261 CD1 ILE A 17 8.827 3.529 3.657 1.00 0.00 C ATOM 0 H ILE A 17 8.868 6.481 6.867 1.00 0.00 H new ATOM 0 HA ILE A 17 9.405 3.977 8.291 1.00 0.00 H new ATOM 0 HB ILE A 17 9.769 2.793 6.162 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.537 5.253 4.882 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.209 4.749 4.734 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.392 2.474 5.559 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.627 2.537 7.322 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.974 3.951 6.461 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.925 4.121 2.747 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.496 2.670 3.605 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.798 3.182 3.755 1.00 0.00 H new ATOM 273 N PRO A 18 11.901 4.184 7.683 1.00 0.00 N ATOM 274 CA PRO A 18 13.336 4.496 7.630 1.00 0.00 C ATOM 275 C PRO A 18 13.902 4.505 6.207 1.00 0.00 C ATOM 276 O PRO A 18 13.308 3.967 5.260 1.00 0.00 O ATOM 277 CB PRO A 18 13.975 3.366 8.447 1.00 0.00 C ATOM 278 CG PRO A 18 12.992 2.250 8.402 1.00 0.00 C ATOM 279 CD PRO A 18 11.640 2.901 8.361 1.00 0.00 C ATOM 0 HA PRO A 18 13.538 5.497 8.012 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.932 3.065 8.022 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.167 3.681 9.473 1.00 0.00 H new ATOM 0 HG2 PRO A 18 13.151 1.623 7.525 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.090 1.606 9.276 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.919 2.296 7.812 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.235 3.050 9.362 1.00 0.00 H new ATOM 287 N GLN A 19 15.078 5.115 6.068 1.00 0.00 N ATOM 288 CA GLN A 19 15.760 5.201 4.780 1.00 0.00 C ATOM 289 C GLN A 19 16.219 3.819 4.324 1.00 0.00 C ATOM 290 O GLN A 19 16.532 3.617 3.151 1.00 0.00 O ATOM 291 CB GLN A 19 16.953 6.153 4.863 1.00 0.00 C ATOM 292 CG GLN A 19 18.030 5.697 5.834 1.00 0.00 C ATOM 293 CD GLN A 19 19.370 5.480 5.155 1.00 0.00 C ATOM 294 OE1 GLN A 19 20.423 5.697 5.753 1.00 0.00 O ATOM 295 NE2 GLN A 19 19.338 5.033 3.907 1.00 0.00 N ATOM 0 H GLN A 19 15.580 5.559 6.837 1.00 0.00 H new ATOM 0 HA GLN A 19 15.055 5.594 4.048 1.00 0.00 H new ATOM 0 HB2 GLN A 19 17.392 6.259 3.871 1.00 0.00 H new ATOM 0 HB3 GLN A 19 16.600 7.140 5.163 1.00 0.00 H new ATOM 0 HG2 GLN A 19 18.142 6.441 6.623 1.00 0.00 H new ATOM 0 HG3 GLN A 19 17.714 4.770 6.313 1.00 0.00 H new ATOM 0 HE21 GLN A 19 18.443 4.866 3.448 1.00 0.00 H new ATOM 0 HE22 GLN A 19 20.209 4.856 3.406 1.00 0.00 H new ATOM 304 N GLU A 20 16.271 2.886 5.273 1.00 0.00 N ATOM 305 CA GLU A 20 16.491 1.470 4.974 1.00 0.00 C ATOM 306 C GLU A 20 15.474 0.995 3.943 1.00 0.00 C ATOM 307 O GLU A 20 15.793 0.237 3.024 1.00 0.00 O ATOM 308 CB GLU A 20 16.345 0.636 6.250 1.00 0.00 C ATOM 309 CG GLU A 20 17.350 0.988 7.332 1.00 0.00 C ATOM 310 CD GLU A 20 18.746 0.517 6.997 1.00 0.00 C ATOM 311 OE1 GLU A 20 19.434 1.188 6.203 1.00 0.00 O ATOM 312 OE2 GLU A 20 19.160 -0.539 7.527 1.00 0.00 O ATOM 0 H GLU A 20 16.162 3.088 6.267 1.00 0.00 H new ATOM 0 HA GLU A 20 17.498 1.347 4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 20 15.338 0.768 6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 20 16.452 -0.419 5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 20 17.359 2.068 7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 20 17.035 0.542 8.275 1.00 0.00 H new ATOM 319 N TRP A 21 14.253 1.492 4.079 1.00 0.00 N ATOM 320 CA TRP A 21 13.170 1.125 3.187 1.00 0.00 C ATOM 321 C TRP A 21 13.275 1.914 1.902 1.00 0.00 C ATOM 322 O TRP A 21 13.058 1.388 0.818 1.00 0.00 O ATOM 323 CB TRP A 21 11.821 1.434 3.819 1.00 0.00 C ATOM 324 CG TRP A 21 11.433 0.557 4.964 1.00 0.00 C ATOM 325 CD1 TRP A 21 12.233 0.028 5.939 1.00 0.00 C ATOM 326 CD2 TRP A 21 10.108 0.130 5.257 1.00 0.00 C ATOM 327 NE1 TRP A 21 11.471 -0.702 6.822 1.00 0.00 N ATOM 328 CE2 TRP A 21 10.161 -0.649 6.422 1.00 0.00 C ATOM 329 CE3 TRP A 21 8.879 0.342 4.638 1.00 0.00 C ATOM 330 CZ2 TRP A 21 9.019 -1.216 6.982 1.00 0.00 C ATOM 331 CZ3 TRP A 21 7.752 -0.216 5.189 1.00 0.00 C ATOM 332 CH2 TRP A 21 7.825 -0.984 6.351 1.00 0.00 C ATOM 0 H TRP A 21 13.989 2.156 4.807 1.00 0.00 H new ATOM 0 HA TRP A 21 13.247 0.056 2.990 1.00 0.00 H new ATOM 0 HB2 TRP A 21 11.828 2.469 4.162 1.00 0.00 H new ATOM 0 HB3 TRP A 21 11.053 1.359 3.049 1.00 0.00 H new ATOM 0 HD1 TRP A 21 13.302 0.163 6.006 1.00 0.00 H new ATOM 0 HE1 TRP A 21 11.823 -1.200 7.639 1.00 0.00 H new ATOM 0 HE3 TRP A 21 8.813 0.936 3.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 9.072 -1.815 7.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 6.794 -0.058 4.715 1.00 0.00 H new ATOM 0 HH2 TRP A 21 6.920 -1.405 6.763 1.00 0.00 H new ATOM 343 N HIS A 22 13.600 3.188 2.027 1.00 0.00 N ATOM 344 CA HIS A 22 13.721 4.036 0.853 1.00 0.00 C ATOM 345 C HIS A 22 14.797 3.516 -0.087 1.00 0.00 C ATOM 346 O HIS A 22 14.520 3.234 -1.248 1.00 0.00 O ATOM 347 CB HIS A 22 13.990 5.488 1.246 1.00 0.00 C ATOM 348 CG HIS A 22 12.736 6.231 1.583 1.00 0.00 C ATOM 349 ND1 HIS A 22 12.397 7.441 1.016 1.00 0.00 N ATOM 350 CD2 HIS A 22 11.723 5.917 2.424 1.00 0.00 C ATOM 351 CE1 HIS A 22 11.231 7.835 1.490 1.00 0.00 C ATOM 352 NE2 HIS A 22 10.800 6.928 2.349 1.00 0.00 N ATOM 0 H HIS A 22 13.783 3.654 2.916 1.00 0.00 H new ATOM 0 HA HIS A 22 12.770 4.007 0.322 1.00 0.00 H new ATOM 0 HB2 HIS A 22 14.663 5.511 2.103 1.00 0.00 H new ATOM 0 HB3 HIS A 22 14.500 5.995 0.426 1.00 0.00 H new ATOM 0 HD1 HIS A 22 12.960 7.952 0.336 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.654 5.033 3.041 1.00 0.00 H new ATOM 0 HE1 HIS A 22 10.715 8.745 1.221 1.00 0.00 H new ATOM 361 N ASP A 23 16.009 3.346 0.415 1.00 0.00 N ATOM 362 CA ASP A 23 17.105 2.878 -0.426 1.00 0.00 C ATOM 363 C ASP A 23 16.807 1.493 -1.000 1.00 0.00 C ATOM 364 O ASP A 23 16.736 1.320 -2.218 1.00 0.00 O ATOM 365 CB ASP A 23 18.420 2.846 0.355 1.00 0.00 C ATOM 366 CG ASP A 23 19.604 2.505 -0.532 1.00 0.00 C ATOM 367 OD1 ASP A 23 19.994 3.357 -1.356 1.00 0.00 O ATOM 368 OD2 ASP A 23 20.157 1.394 -0.402 1.00 0.00 O ATOM 0 H ASP A 23 16.260 3.522 1.388 1.00 0.00 H new ATOM 0 HA ASP A 23 17.206 3.582 -1.252 1.00 0.00 H new ATOM 0 HB2 ASP A 23 18.586 3.816 0.824 1.00 0.00 H new ATOM 0 HB3 ASP A 23 18.346 2.113 1.158 1.00 0.00 H new ATOM 373 N ARG A 24 16.573 0.524 -0.121 1.00 0.00 N ATOM 374 CA ARG A 24 16.465 -0.870 -0.544 1.00 0.00 C ATOM 375 C ARG A 24 15.116 -1.174 -1.174 1.00 0.00 C ATOM 376 O ARG A 24 15.052 -1.638 -2.315 1.00 0.00 O ATOM 377 CB ARG A 24 16.724 -1.826 0.628 1.00 0.00 C ATOM 378 CG ARG A 24 18.192 -1.932 1.018 1.00 0.00 C ATOM 379 CD ARG A 24 18.708 -0.653 1.654 1.00 0.00 C ATOM 380 NE ARG A 24 20.167 -0.626 1.715 1.00 0.00 N ATOM 381 CZ ARG A 24 20.899 -0.905 2.796 1.00 0.00 C ATOM 382 NH1 ARG A 24 20.330 -1.313 3.926 1.00 0.00 N ATOM 383 NH2 ARG A 24 22.218 -0.799 2.728 1.00 0.00 N ATOM 0 H ARG A 24 16.455 0.675 0.881 1.00 0.00 H new ATOM 0 HA ARG A 24 17.232 -1.026 -1.303 1.00 0.00 H new ATOM 0 HB2 ARG A 24 16.151 -1.491 1.492 1.00 0.00 H new ATOM 0 HB3 ARG A 24 16.354 -2.817 0.365 1.00 0.00 H new ATOM 0 HG2 ARG A 24 18.323 -2.761 1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 24 18.786 -2.162 0.133 1.00 0.00 H new ATOM 0 HD2 ARG A 24 18.352 0.205 1.084 1.00 0.00 H new ATOM 0 HD3 ARG A 24 18.301 -0.558 2.661 1.00 0.00 H new ATOM 0 HE ARG A 24 20.667 -0.374 0.863 1.00 0.00 H new ATOM 0 HH11 ARG A 24 19.317 -1.418 3.978 1.00 0.00 H new ATOM 0 HH12 ARG A 24 20.907 -1.521 4.741 1.00 0.00 H new ATOM 0 HH21 ARG A 24 22.662 -0.507 1.857 1.00 0.00 H new ATOM 0 HH22 ARG A 24 22.789 -1.009 3.546 1.00 0.00 H new ATOM 397 N LEU A 25 14.040 -0.906 -0.451 1.00 0.00 N ATOM 398 CA LEU A 25 12.719 -1.281 -0.925 1.00 0.00 C ATOM 399 C LEU A 25 12.329 -0.493 -2.166 1.00 0.00 C ATOM 400 O LEU A 25 11.746 -1.056 -3.085 1.00 0.00 O ATOM 401 CB LEU A 25 11.656 -1.103 0.161 1.00 0.00 C ATOM 402 CG LEU A 25 11.871 -1.936 1.428 1.00 0.00 C ATOM 403 CD1 LEU A 25 10.657 -1.851 2.337 1.00 0.00 C ATOM 404 CD2 LEU A 25 12.177 -3.387 1.077 1.00 0.00 C ATOM 0 H LEU A 25 14.054 -0.436 0.454 1.00 0.00 H new ATOM 0 HA LEU A 25 12.769 -2.338 -1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.618 -0.050 0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.683 -1.357 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 25 12.729 -1.527 1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.830 -2.450 3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.488 -0.813 2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.781 -2.230 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.326 -3.959 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.343 -3.809 0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.081 -3.432 0.470 1.00 0.00 H new ATOM 416 N MET A 26 12.634 0.806 -2.205 1.00 0.00 N ATOM 417 CA MET A 26 12.287 1.608 -3.374 1.00 0.00 C ATOM 418 C MET A 26 13.149 1.233 -4.575 1.00 0.00 C ATOM 419 O MET A 26 12.726 1.395 -5.720 1.00 0.00 O ATOM 420 CB MET A 26 12.365 3.107 -3.082 1.00 0.00 C ATOM 421 CG MET A 26 11.405 3.552 -1.987 1.00 0.00 C ATOM 422 SD MET A 26 11.432 5.336 -1.708 1.00 0.00 S ATOM 423 CE MET A 26 10.958 5.933 -3.328 1.00 0.00 C ATOM 0 H MET A 26 13.109 1.313 -1.458 1.00 0.00 H new ATOM 0 HA MET A 26 11.250 1.383 -3.622 1.00 0.00 H new ATOM 0 HB2 MET A 26 13.384 3.362 -2.790 1.00 0.00 H new ATOM 0 HB3 MET A 26 12.147 3.661 -3.995 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.393 3.247 -2.252 1.00 0.00 H new ATOM 0 HG3 MET A 26 11.659 3.041 -1.059 1.00 0.00 H new ATOM 0 HE1 MET A 26 10.505 6.920 -3.234 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.841 5.998 -3.964 1.00 0.00 H new ATOM 0 HE3 MET A 26 10.240 5.245 -3.774 1.00 0.00 H new ATOM 433 N GLU A 27 14.356 0.730 -4.325 1.00 0.00 N ATOM 434 CA GLU A 27 15.180 0.198 -5.404 1.00 0.00 C ATOM 435 C GLU A 27 14.504 -1.030 -6.008 1.00 0.00 C ATOM 436 O GLU A 27 14.440 -1.189 -7.233 1.00 0.00 O ATOM 437 CB GLU A 27 16.578 -0.162 -4.895 1.00 0.00 C ATOM 438 CG GLU A 27 17.480 -0.751 -5.964 1.00 0.00 C ATOM 439 CD GLU A 27 18.842 -1.133 -5.430 1.00 0.00 C ATOM 440 OE1 GLU A 27 18.965 -2.219 -4.826 1.00 0.00 O ATOM 441 OE2 GLU A 27 19.798 -0.352 -5.620 1.00 0.00 O ATOM 0 H GLU A 27 14.779 0.680 -3.398 1.00 0.00 H new ATOM 0 HA GLU A 27 15.287 0.964 -6.172 1.00 0.00 H new ATOM 0 HB2 GLU A 27 17.048 0.732 -4.487 1.00 0.00 H new ATOM 0 HB3 GLU A 27 16.485 -0.875 -4.076 1.00 0.00 H new ATOM 0 HG2 GLU A 27 17.002 -1.632 -6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 27 17.600 -0.029 -6.771 1.00 0.00 H new ATOM 448 N ILE A 28 13.985 -1.884 -5.136 1.00 0.00 N ATOM 449 CA ILE A 28 13.219 -3.046 -5.566 1.00 0.00 C ATOM 450 C ILE A 28 11.934 -2.591 -6.253 1.00 0.00 C ATOM 451 O ILE A 28 11.462 -3.208 -7.209 1.00 0.00 O ATOM 452 CB ILE A 28 12.872 -3.965 -4.371 1.00 0.00 C ATOM 453 CG1 ILE A 28 14.152 -4.454 -3.684 1.00 0.00 C ATOM 454 CG2 ILE A 28 12.029 -5.148 -4.829 1.00 0.00 C ATOM 455 CD1 ILE A 28 13.896 -5.267 -2.432 1.00 0.00 C ATOM 0 H ILE A 28 14.081 -1.794 -4.125 1.00 0.00 H new ATOM 0 HA ILE A 28 13.831 -3.615 -6.266 1.00 0.00 H new ATOM 0 HB ILE A 28 12.290 -3.388 -3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 28 14.724 -5.058 -4.388 1.00 0.00 H new ATOM 0 HG13 ILE A 28 14.769 -3.592 -3.428 1.00 0.00 H new ATOM 0 HG21 ILE A 28 11.796 -5.782 -3.973 1.00 0.00 H new ATOM 0 HG22 ILE A 28 11.103 -4.784 -5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 28 12.584 -5.726 -5.568 1.00 0.00 H new ATOM 0 HD11 ILE A 28 14.847 -5.579 -2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 28 13.351 -4.660 -1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 28 13.306 -6.148 -2.685 1.00 0.00 H new ATOM 467 N ALA A 29 11.385 -1.492 -5.756 1.00 0.00 N ATOM 468 CA ALA A 29 10.181 -0.900 -6.314 1.00 0.00 C ATOM 469 C ALA A 29 10.412 -0.429 -7.745 1.00 0.00 C ATOM 470 O ALA A 29 9.485 -0.381 -8.540 1.00 0.00 O ATOM 471 CB ALA A 29 9.698 0.249 -5.443 1.00 0.00 C ATOM 0 H ALA A 29 11.763 -0.987 -4.955 1.00 0.00 H new ATOM 0 HA ALA A 29 9.407 -1.668 -6.335 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.796 0.680 -5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.478 -0.121 -4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.473 1.013 -5.386 1.00 0.00 H new ATOM 477 N LYS A 30 11.651 -0.114 -8.085 1.00 0.00 N ATOM 478 CA LYS A 30 11.964 0.294 -9.448 1.00 0.00 C ATOM 479 C LYS A 30 12.036 -0.930 -10.337 1.00 0.00 C ATOM 480 O LYS A 30 11.616 -0.902 -11.492 1.00 0.00 O ATOM 481 CB LYS A 30 13.282 1.062 -9.510 1.00 0.00 C ATOM 482 CG LYS A 30 13.254 2.375 -8.748 1.00 0.00 C ATOM 483 CD LYS A 30 14.537 3.161 -8.946 1.00 0.00 C ATOM 484 CE LYS A 30 14.466 4.527 -8.280 1.00 0.00 C ATOM 485 NZ LYS A 30 13.354 5.356 -8.818 1.00 0.00 N ATOM 0 H LYS A 30 12.447 -0.132 -7.448 1.00 0.00 H new ATOM 0 HA LYS A 30 11.174 0.958 -9.798 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.078 0.435 -9.109 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.529 1.261 -10.553 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.405 2.972 -9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.107 2.177 -7.686 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.376 2.599 -8.536 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.728 3.285 -10.012 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.335 4.399 -7.205 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.411 5.050 -8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.517 6.354 -8.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.312 5.252 -9.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.454 5.042 -8.402 1.00 0.00 H new ATOM 499 N GLU A 31 12.557 -2.005 -9.774 1.00 0.00 N ATOM 500 CA GLU A 31 12.577 -3.295 -10.444 1.00 0.00 C ATOM 501 C GLU A 31 11.145 -3.778 -10.713 1.00 0.00 C ATOM 502 O GLU A 31 10.849 -4.329 -11.773 1.00 0.00 O ATOM 503 CB GLU A 31 13.348 -4.303 -9.580 1.00 0.00 C ATOM 504 CG GLU A 31 13.208 -5.757 -10.005 1.00 0.00 C ATOM 505 CD GLU A 31 13.657 -6.014 -11.428 1.00 0.00 C ATOM 506 OE1 GLU A 31 14.830 -5.730 -11.755 1.00 0.00 O ATOM 507 OE2 GLU A 31 12.835 -6.513 -12.225 1.00 0.00 O ATOM 0 H GLU A 31 12.976 -2.010 -8.844 1.00 0.00 H new ATOM 0 HA GLU A 31 13.081 -3.200 -11.406 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.405 -4.037 -9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.009 -4.208 -8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.791 -6.383 -9.329 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.166 -6.060 -9.900 1.00 0.00 H new ATOM 514 N LYS A 32 10.256 -3.536 -9.757 1.00 0.00 N ATOM 515 CA LYS A 32 8.876 -4.006 -9.850 1.00 0.00 C ATOM 516 C LYS A 32 7.956 -2.957 -10.478 1.00 0.00 C ATOM 517 O LYS A 32 6.773 -3.213 -10.694 1.00 0.00 O ATOM 518 CB LYS A 32 8.353 -4.408 -8.467 1.00 0.00 C ATOM 519 CG LYS A 32 8.504 -5.895 -8.150 1.00 0.00 C ATOM 520 CD LYS A 32 9.943 -6.370 -8.277 1.00 0.00 C ATOM 521 CE LYS A 32 10.060 -7.865 -8.013 1.00 0.00 C ATOM 522 NZ LYS A 32 11.416 -8.387 -8.332 1.00 0.00 N ATOM 0 H LYS A 32 10.466 -3.015 -8.905 1.00 0.00 H new ATOM 0 HA LYS A 32 8.874 -4.880 -10.502 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.882 -3.831 -7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.299 -4.138 -8.396 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.149 -6.086 -7.137 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.872 -6.474 -8.824 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.315 -6.145 -9.277 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.571 -5.824 -7.573 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.832 -8.066 -6.966 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.318 -8.397 -8.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.450 -9.408 -8.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.625 -8.219 -9.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.123 -7.899 -7.745 1.00 0.00 H new ATOM 536 N ASN A 33 8.518 -1.780 -10.760 1.00 0.00 N ATOM 537 CA ASN A 33 7.793 -0.687 -11.425 1.00 0.00 C ATOM 538 C ASN A 33 6.624 -0.179 -10.580 1.00 0.00 C ATOM 539 O ASN A 33 5.531 0.076 -11.086 1.00 0.00 O ATOM 540 CB ASN A 33 7.303 -1.126 -12.808 1.00 0.00 C ATOM 541 CG ASN A 33 8.447 -1.360 -13.777 1.00 0.00 C ATOM 542 OD1 ASN A 33 9.484 -0.697 -13.703 1.00 0.00 O ATOM 543 ND2 ASN A 33 8.266 -2.288 -14.701 1.00 0.00 N ATOM 0 H ASN A 33 9.487 -1.554 -10.536 1.00 0.00 H new ATOM 0 HA ASN A 33 8.493 0.139 -11.545 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.719 -2.041 -12.710 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.636 -0.365 -13.213 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.999 -2.476 -15.385 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.394 -2.816 -14.730 1.00 0.00 H new ATOM 550 N LEU A 34 6.877 -0.021 -9.292 1.00 0.00 N ATOM 551 CA LEU A 34 5.882 0.463 -8.342 1.00 0.00 C ATOM 552 C LEU A 34 6.493 1.545 -7.459 1.00 0.00 C ATOM 553 O LEU A 34 7.711 1.720 -7.436 1.00 0.00 O ATOM 554 CB LEU A 34 5.385 -0.693 -7.471 1.00 0.00 C ATOM 555 CG LEU A 34 4.631 -1.795 -8.216 1.00 0.00 C ATOM 556 CD1 LEU A 34 4.405 -2.993 -7.307 1.00 0.00 C ATOM 557 CD2 LEU A 34 3.303 -1.271 -8.738 1.00 0.00 C ATOM 0 H LEU A 34 7.783 -0.225 -8.870 1.00 0.00 H new ATOM 0 HA LEU A 34 5.040 0.882 -8.894 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.241 -1.139 -6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.733 -0.289 -6.697 1.00 0.00 H new ATOM 0 HG LEU A 34 5.237 -2.113 -9.065 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.867 -3.768 -7.853 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.367 -3.384 -6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.819 -2.687 -6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.779 -2.068 -9.266 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.693 -0.928 -7.902 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.483 -0.441 -9.421 1.00 0.00 H new ATOM 569 N THR A 35 5.654 2.283 -6.749 1.00 0.00 N ATOM 570 CA THR A 35 6.141 3.272 -5.802 1.00 0.00 C ATOM 571 C THR A 35 5.913 2.773 -4.379 1.00 0.00 C ATOM 572 O THR A 35 5.110 1.867 -4.177 1.00 0.00 O ATOM 573 CB THR A 35 5.428 4.625 -5.987 1.00 0.00 C ATOM 574 OG1 THR A 35 4.835 4.687 -7.289 1.00 0.00 O ATOM 575 CG2 THR A 35 6.401 5.783 -5.815 1.00 0.00 C ATOM 0 H THR A 35 4.638 2.216 -6.810 1.00 0.00 H new ATOM 0 HA THR A 35 7.206 3.417 -5.983 1.00 0.00 H new ATOM 0 HB THR A 35 4.653 4.709 -5.225 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.964 4.238 -7.273 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.872 6.726 -5.951 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.833 5.750 -4.815 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.196 5.703 -6.556 1.00 0.00 H new ATOM 583 N LEU A 36 6.606 3.343 -3.404 1.00 0.00 N ATOM 584 CA LEU A 36 6.469 2.907 -2.011 1.00 0.00 C ATOM 585 C LEU A 36 5.016 2.976 -1.545 1.00 0.00 C ATOM 586 O LEU A 36 4.524 2.052 -0.898 1.00 0.00 O ATOM 587 CB LEU A 36 7.386 3.722 -1.080 1.00 0.00 C ATOM 588 CG LEU A 36 7.078 5.221 -0.926 1.00 0.00 C ATOM 589 CD1 LEU A 36 7.917 5.805 0.197 1.00 0.00 C ATOM 590 CD2 LEU A 36 7.346 5.987 -2.214 1.00 0.00 C ATOM 0 H LEU A 36 7.268 4.106 -3.545 1.00 0.00 H new ATOM 0 HA LEU A 36 6.783 1.864 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.353 3.267 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.409 3.623 -1.442 1.00 0.00 H new ATOM 0 HG LEU A 36 6.018 5.320 -0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.695 6.867 0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.684 5.292 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.974 5.676 -0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.116 7.042 -2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.395 5.880 -2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.719 5.589 -3.011 1.00 0.00 H new ATOM 602 N SER A 37 4.330 4.053 -1.896 1.00 0.00 N ATOM 603 CA SER A 37 2.910 4.192 -1.597 1.00 0.00 C ATOM 604 C SER A 37 2.105 3.044 -2.212 1.00 0.00 C ATOM 605 O SER A 37 1.233 2.467 -1.560 1.00 0.00 O ATOM 606 CB SER A 37 2.406 5.533 -2.125 1.00 0.00 C ATOM 607 OG SER A 37 3.263 6.585 -1.714 1.00 0.00 O ATOM 0 H SER A 37 4.735 4.848 -2.391 1.00 0.00 H new ATOM 0 HA SER A 37 2.776 4.154 -0.516 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.352 5.505 -3.213 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.395 5.717 -1.761 1.00 0.00 H new ATOM 0 HG SER A 37 2.734 7.393 -1.551 1.00 0.00 H new ATOM 613 N ASP A 38 2.418 2.707 -3.463 1.00 0.00 N ATOM 614 CA ASP A 38 1.736 1.623 -4.163 1.00 0.00 C ATOM 615 C ASP A 38 2.020 0.292 -3.490 1.00 0.00 C ATOM 616 O ASP A 38 1.103 -0.473 -3.204 1.00 0.00 O ATOM 617 CB ASP A 38 2.173 1.547 -5.631 1.00 0.00 C ATOM 618 CG ASP A 38 1.754 2.755 -6.439 1.00 0.00 C ATOM 619 OD1 ASP A 38 0.618 2.769 -6.956 1.00 0.00 O ATOM 620 OD2 ASP A 38 2.565 3.695 -6.565 1.00 0.00 O ATOM 0 H ASP A 38 3.141 3.171 -4.012 1.00 0.00 H new ATOM 0 HA ASP A 38 0.667 1.832 -4.124 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.257 1.446 -5.676 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.750 0.650 -6.084 1.00 0.00 H new ATOM 625 N VAL A 39 3.294 0.035 -3.210 1.00 0.00 N ATOM 626 CA VAL A 39 3.710 -1.221 -2.594 1.00 0.00 C ATOM 627 C VAL A 39 3.104 -1.366 -1.204 1.00 0.00 C ATOM 628 O VAL A 39 2.716 -2.453 -0.806 1.00 0.00 O ATOM 629 CB VAL A 39 5.250 -1.325 -2.493 1.00 0.00 C ATOM 630 CG1 VAL A 39 5.669 -2.634 -1.833 1.00 0.00 C ATOM 631 CG2 VAL A 39 5.891 -1.196 -3.867 1.00 0.00 C ATOM 0 H VAL A 39 4.059 0.682 -3.401 1.00 0.00 H new ATOM 0 HA VAL A 39 3.349 -2.026 -3.235 1.00 0.00 H new ATOM 0 HB VAL A 39 5.599 -0.502 -1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.756 -2.680 -1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.250 -2.685 -0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.301 -3.473 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.974 -1.272 -3.772 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.527 -1.993 -4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.632 -0.230 -4.300 1.00 0.00 H new ATOM 641 N CYS A 40 3.012 -0.258 -0.482 1.00 0.00 N ATOM 642 CA CYS A 40 2.445 -0.255 0.862 1.00 0.00 C ATOM 643 C CYS A 40 0.943 -0.568 0.806 1.00 0.00 C ATOM 644 O CYS A 40 0.427 -1.342 1.607 1.00 0.00 O ATOM 645 CB CYS A 40 2.710 1.114 1.513 1.00 0.00 C ATOM 646 SG CYS A 40 2.959 1.070 3.297 1.00 0.00 S ATOM 0 H CYS A 40 3.325 0.657 -0.806 1.00 0.00 H new ATOM 0 HA CYS A 40 2.917 -1.029 1.467 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.591 1.556 1.049 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.870 1.773 1.294 1.00 0.00 H new ATOM 0 HG CYS A 40 2.514 2.171 3.825 1.00 0.00 H new ATOM 652 N ARG A 41 0.262 0.038 -0.158 1.00 0.00 N ATOM 653 CA ARG A 41 -1.148 -0.240 -0.444 1.00 0.00 C ATOM 654 C ARG A 41 -1.354 -1.710 -0.847 1.00 0.00 C ATOM 655 O ARG A 41 -2.258 -2.396 -0.349 1.00 0.00 O ATOM 656 CB ARG A 41 -1.610 0.720 -1.554 1.00 0.00 C ATOM 657 CG ARG A 41 -3.018 0.493 -2.095 1.00 0.00 C ATOM 658 CD ARG A 41 -3.031 -0.526 -3.224 1.00 0.00 C ATOM 659 NE ARG A 41 -4.266 -0.469 -4.004 1.00 0.00 N ATOM 660 CZ ARG A 41 -4.907 -1.539 -4.467 1.00 0.00 C ATOM 661 NH1 ARG A 41 -4.490 -2.760 -4.147 1.00 0.00 N ATOM 662 NH2 ARG A 41 -5.978 -1.390 -5.234 1.00 0.00 N ATOM 0 H ARG A 41 0.672 0.743 -0.771 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.748 -0.079 0.452 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.549 1.739 -1.173 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.908 0.648 -2.384 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.667 0.151 -1.289 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.427 1.438 -2.453 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.180 -0.349 -3.881 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.911 -1.527 -2.809 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.661 0.449 -4.206 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.676 -2.879 -3.544 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.984 -3.578 -4.504 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.311 -0.455 -5.469 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.469 -2.210 -5.589 1.00 0.00 H new ATOM 676 N LEU A 42 -0.507 -2.198 -1.745 1.00 0.00 N ATOM 677 CA LEU A 42 -0.587 -3.586 -2.185 1.00 0.00 C ATOM 678 C LEU A 42 -0.220 -4.511 -1.036 1.00 0.00 C ATOM 679 O LEU A 42 -0.641 -5.666 -0.986 1.00 0.00 O ATOM 680 CB LEU A 42 0.354 -3.830 -3.366 1.00 0.00 C ATOM 681 CG LEU A 42 0.132 -2.918 -4.571 1.00 0.00 C ATOM 682 CD1 LEU A 42 1.204 -3.158 -5.619 1.00 0.00 C ATOM 683 CD2 LEU A 42 -1.253 -3.135 -5.163 1.00 0.00 C ATOM 0 H LEU A 42 0.240 -1.657 -2.181 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.608 -3.792 -2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.381 -3.709 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.246 -4.865 -3.689 1.00 0.00 H new ATOM 0 HG LEU A 42 0.200 -1.883 -4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.033 -2.501 -6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.184 -2.949 -5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.166 -4.197 -5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.390 -2.475 -6.020 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.353 -4.172 -5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.009 -2.913 -4.410 1.00 0.00 H new ATOM 695 N ALA A 43 0.545 -3.972 -0.103 1.00 0.00 N ATOM 696 CA ALA A 43 1.003 -4.724 1.041 1.00 0.00 C ATOM 697 C ALA A 43 -0.133 -4.986 2.013 1.00 0.00 C ATOM 698 O ALA A 43 -0.245 -6.082 2.544 1.00 0.00 O ATOM 699 CB ALA A 43 2.138 -3.998 1.737 1.00 0.00 C ATOM 0 H ALA A 43 0.863 -3.003 -0.121 1.00 0.00 H new ATOM 0 HA ALA A 43 1.372 -5.686 0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.470 -4.580 2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.969 -3.871 1.043 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.793 -3.020 2.073 1.00 0.00 H new ATOM 705 N ILE A 44 -0.983 -3.984 2.240 1.00 0.00 N ATOM 706 CA ILE A 44 -2.089 -4.140 3.179 1.00 0.00 C ATOM 707 C ILE A 44 -3.089 -5.152 2.663 1.00 0.00 C ATOM 708 O ILE A 44 -3.606 -5.966 3.429 1.00 0.00 O ATOM 709 CB ILE A 44 -2.833 -2.820 3.502 1.00 0.00 C ATOM 710 CG1 ILE A 44 -2.444 -1.700 2.533 1.00 0.00 C ATOM 711 CG2 ILE A 44 -2.567 -2.411 4.940 1.00 0.00 C ATOM 712 CD1 ILE A 44 -3.143 -0.382 2.808 1.00 0.00 C ATOM 0 H ILE A 44 -0.927 -3.069 1.793 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.632 -4.487 4.106 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.902 -2.995 3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.366 -1.546 2.584 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.673 -2.017 1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.094 -1.482 5.158 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.919 -3.194 5.612 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.497 -2.263 5.084 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.816 0.362 2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.221 -0.518 2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.894 -0.041 3.813 1.00 0.00 H new ATOM 724 N LYS A 45 -3.376 -5.109 1.366 1.00 0.00 N ATOM 725 CA LYS A 45 -4.282 -6.093 0.794 1.00 0.00 C ATOM 726 C LYS A 45 -3.692 -7.501 0.919 1.00 0.00 C ATOM 727 O LYS A 45 -4.406 -8.463 1.209 1.00 0.00 O ATOM 728 CB LYS A 45 -4.617 -5.790 -0.665 1.00 0.00 C ATOM 729 CG LYS A 45 -5.874 -6.510 -1.123 1.00 0.00 C ATOM 730 CD LYS A 45 -6.135 -6.336 -2.606 1.00 0.00 C ATOM 731 CE LYS A 45 -7.474 -6.943 -2.999 1.00 0.00 C ATOM 732 NZ LYS A 45 -7.622 -8.339 -2.505 1.00 0.00 N ATOM 0 H LYS A 45 -3.005 -4.423 0.708 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.212 -6.041 1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.749 -4.715 -0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.780 -6.085 -1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.784 -7.572 -0.895 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.729 -6.135 -0.560 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.124 -5.276 -2.859 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.336 -6.808 -3.177 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.281 -6.330 -2.599 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.573 -6.931 -4.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.404 -8.804 -3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.740 -8.863 -2.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.826 -8.327 -1.485 1.00 0.00 H new ATOM 746 N GLU A 46 -2.377 -7.602 0.729 1.00 0.00 N ATOM 747 CA GLU A 46 -1.674 -8.878 0.816 1.00 0.00 C ATOM 748 C GLU A 46 -1.656 -9.346 2.265 1.00 0.00 C ATOM 749 O GLU A 46 -1.717 -10.540 2.553 1.00 0.00 O ATOM 750 CB GLU A 46 -0.239 -8.714 0.306 1.00 0.00 C ATOM 751 CG GLU A 46 0.523 -10.022 0.163 1.00 0.00 C ATOM 752 CD GLU A 46 0.172 -10.765 -1.108 1.00 0.00 C ATOM 753 OE1 GLU A 46 -0.885 -11.423 -1.152 1.00 0.00 O ATOM 754 OE2 GLU A 46 0.961 -10.697 -2.076 1.00 0.00 O ATOM 0 H GLU A 46 -1.775 -6.808 0.512 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.187 -9.618 0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.264 -8.213 -0.662 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.305 -8.062 0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.594 -9.818 0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.310 -10.658 1.022 1.00 0.00 H new ATOM 761 N TYR A 47 -1.586 -8.376 3.166 1.00 0.00 N ATOM 762 CA TYR A 47 -1.558 -8.630 4.591 1.00 0.00 C ATOM 763 C TYR A 47 -2.864 -9.273 5.031 1.00 0.00 C ATOM 764 O TYR A 47 -2.867 -10.253 5.778 1.00 0.00 O ATOM 765 CB TYR A 47 -1.331 -7.313 5.342 1.00 0.00 C ATOM 766 CG TYR A 47 -1.255 -7.445 6.848 1.00 0.00 C ATOM 767 CD1 TYR A 47 -0.062 -7.774 7.475 1.00 0.00 C ATOM 768 CD2 TYR A 47 -2.375 -7.226 7.643 1.00 0.00 C ATOM 769 CE1 TYR A 47 0.015 -7.883 8.850 1.00 0.00 C ATOM 770 CE2 TYR A 47 -2.308 -7.334 9.017 1.00 0.00 C ATOM 771 CZ TYR A 47 -1.110 -7.663 9.616 1.00 0.00 C ATOM 772 OH TYR A 47 -1.039 -7.772 10.987 1.00 0.00 O ATOM 0 H TYR A 47 -1.547 -7.386 2.923 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.741 -9.314 4.820 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.406 -6.862 4.984 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.139 -6.625 5.092 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.821 -7.948 6.878 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.314 -6.967 7.177 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.952 -8.139 9.323 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.188 -7.162 9.619 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.919 -7.585 11.376 1.00 0.00 H new ATOM 782 N LEU A 48 -3.968 -8.724 4.540 1.00 0.00 N ATOM 783 CA LEU A 48 -5.283 -9.263 4.840 1.00 0.00 C ATOM 784 C LEU A 48 -5.423 -10.652 4.243 1.00 0.00 C ATOM 785 O LEU A 48 -5.836 -11.589 4.922 1.00 0.00 O ATOM 786 CB LEU A 48 -6.380 -8.350 4.289 1.00 0.00 C ATOM 787 CG LEU A 48 -6.354 -6.910 4.803 1.00 0.00 C ATOM 788 CD1 LEU A 48 -7.470 -6.103 4.163 1.00 0.00 C ATOM 789 CD2 LEU A 48 -6.476 -6.879 6.319 1.00 0.00 C ATOM 0 H LEU A 48 -3.976 -7.905 3.932 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.391 -9.323 5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.302 -8.331 3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.349 -8.787 4.531 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.399 -6.462 4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.440 -5.080 4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.340 -6.097 3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.432 -6.552 4.411 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.455 -5.845 6.665 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.416 -7.343 6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.644 -7.426 6.762 1.00 0.00 H new ATOM 801 N ASP A 49 -5.041 -10.780 2.978 1.00 0.00 N ATOM 802 CA ASP A 49 -5.131 -12.050 2.265 1.00 0.00 C ATOM 803 C ASP A 49 -4.298 -13.134 2.947 1.00 0.00 C ATOM 804 O ASP A 49 -4.707 -14.291 3.018 1.00 0.00 O ATOM 805 CB ASP A 49 -4.675 -11.872 0.819 1.00 0.00 C ATOM 806 CG ASP A 49 -5.758 -12.241 -0.174 1.00 0.00 C ATOM 807 OD1 ASP A 49 -5.908 -13.444 -0.480 1.00 0.00 O ATOM 808 OD2 ASP A 49 -6.463 -11.332 -0.654 1.00 0.00 O ATOM 0 H ASP A 49 -4.663 -10.014 2.421 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.173 -12.369 2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.376 -10.836 0.659 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.795 -12.489 0.639 1.00 0.00 H new ATOM 813 N ASN A 50 -3.142 -12.748 3.477 1.00 0.00 N ATOM 814 CA ASN A 50 -2.235 -13.701 4.116 1.00 0.00 C ATOM 815 C ASN A 50 -2.737 -14.082 5.505 1.00 0.00 C ATOM 816 O ASN A 50 -2.565 -15.217 5.948 1.00 0.00 O ATOM 817 CB ASN A 50 -0.820 -13.117 4.214 1.00 0.00 C ATOM 818 CG ASN A 50 0.176 -14.089 4.832 1.00 0.00 C ATOM 819 OD1 ASN A 50 0.065 -15.306 4.671 1.00 0.00 O ATOM 820 ND2 ASN A 50 1.156 -13.554 5.545 1.00 0.00 N ATOM 0 H ASN A 50 -2.809 -11.784 3.478 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.204 -14.599 3.499 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.477 -12.837 3.218 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.848 -12.205 4.810 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.854 -14.155 5.984 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.213 -12.541 5.655 1.00 0.00 H new ATOM 1084 N GLY B 10 13.492 9.015 9.289 1.00 0.00 N ATOM 1085 CA GLY B 10 12.250 8.576 8.701 1.00 0.00 C ATOM 1086 C GLY B 10 11.753 9.553 7.664 1.00 0.00 C ATOM 1087 O GLY B 10 11.901 10.767 7.824 1.00 0.00 O ATOM 0 HA2 GLY B 10 12.389 7.597 8.243 1.00 0.00 H new ATOM 0 HA3 GLY B 10 11.498 8.459 9.481 1.00 0.00 H new ATOM 1091 N ILE B 11 11.178 9.028 6.598 1.00 0.00 N ATOM 1092 CA ILE B 11 10.724 9.849 5.484 1.00 0.00 C ATOM 1093 C ILE B 11 9.203 9.798 5.393 1.00 0.00 C ATOM 1094 O ILE B 11 8.585 8.839 5.856 1.00 0.00 O ATOM 1095 CB ILE B 11 11.333 9.365 4.143 1.00 0.00 C ATOM 1096 CG1 ILE B 11 12.820 9.018 4.302 1.00 0.00 C ATOM 1097 CG2 ILE B 11 11.155 10.421 3.058 1.00 0.00 C ATOM 1098 CD1 ILE B 11 13.683 10.194 4.700 1.00 0.00 C ATOM 0 H ILE B 11 11.012 8.029 6.477 1.00 0.00 H new ATOM 0 HA ILE B 11 11.054 10.872 5.664 1.00 0.00 H new ATOM 0 HB ILE B 11 10.801 8.462 3.845 1.00 0.00 H new ATOM 0 HG12 ILE B 11 12.922 8.234 5.053 1.00 0.00 H new ATOM 0 HG13 ILE B 11 13.190 8.609 3.362 1.00 0.00 H new ATOM 0 HG21 ILE B 11 11.589 10.061 2.125 1.00 0.00 H new ATOM 0 HG22 ILE B 11 10.093 10.617 2.912 1.00 0.00 H new ATOM 0 HG23 ILE B 11 11.655 11.341 3.360 1.00 0.00 H new ATOM 0 HD11 ILE B 11 14.720 9.870 4.793 1.00 0.00 H new ATOM 0 HD12 ILE B 11 13.612 10.971 3.939 1.00 0.00 H new ATOM 0 HD13 ILE B 11 13.340 10.590 5.656 1.00 0.00 H new ATOM 1110 N LYS B 12 8.607 10.810 4.779 1.00 0.00 N ATOM 1111 CA LYS B 12 7.159 10.893 4.671 1.00 0.00 C ATOM 1112 C LYS B 12 6.710 10.421 3.300 1.00 0.00 C ATOM 1113 O LYS B 12 7.191 10.899 2.273 1.00 0.00 O ATOM 1114 CB LYS B 12 6.688 12.331 4.919 1.00 0.00 C ATOM 1115 CG LYS B 12 5.199 12.554 4.703 1.00 0.00 C ATOM 1116 CD LYS B 12 4.351 11.649 5.583 1.00 0.00 C ATOM 1117 CE LYS B 12 2.886 12.041 5.528 1.00 0.00 C ATOM 1118 NZ LYS B 12 2.628 13.319 6.240 1.00 0.00 N ATOM 0 H LYS B 12 9.107 11.587 4.347 1.00 0.00 H new ATOM 0 HA LYS B 12 6.714 10.247 5.428 1.00 0.00 H new ATOM 0 HB2 LYS B 12 6.940 12.611 5.942 1.00 0.00 H new ATOM 0 HB3 LYS B 12 7.242 13.000 4.260 1.00 0.00 H new ATOM 0 HG2 LYS B 12 4.955 13.595 4.913 1.00 0.00 H new ATOM 0 HG3 LYS B 12 4.954 12.374 3.656 1.00 0.00 H new ATOM 0 HD2 LYS B 12 4.465 10.614 5.260 1.00 0.00 H new ATOM 0 HD3 LYS B 12 4.706 11.703 6.612 1.00 0.00 H new ATOM 0 HE2 LYS B 12 2.574 12.135 4.488 1.00 0.00 H new ATOM 0 HE3 LYS B 12 2.281 11.250 5.971 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 1.605 13.434 6.387 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 3.111 13.307 7.161 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 2.987 14.112 5.671 1.00 0.00 H new ATOM 1132 N LEU B 13 5.804 9.462 3.303 1.00 0.00 N ATOM 1133 CA LEU B 13 5.315 8.856 2.080 1.00 0.00 C ATOM 1134 C LEU B 13 3.798 8.809 2.082 1.00 0.00 C ATOM 1135 O LEU B 13 3.174 8.528 3.106 1.00 0.00 O ATOM 1136 CB LEU B 13 5.885 7.442 1.912 1.00 0.00 C ATOM 1137 CG LEU B 13 5.746 6.521 3.131 1.00 0.00 C ATOM 1138 CD1 LEU B 13 5.749 5.063 2.701 1.00 0.00 C ATOM 1139 CD2 LEU B 13 6.875 6.775 4.127 1.00 0.00 C ATOM 0 H LEU B 13 5.387 9.082 4.152 1.00 0.00 H new ATOM 0 HA LEU B 13 5.647 9.467 1.240 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.390 6.969 1.064 1.00 0.00 H new ATOM 0 HB3 LEU B 13 6.942 7.524 1.660 1.00 0.00 H new ATOM 0 HG LEU B 13 4.795 6.741 3.617 1.00 0.00 H new ATOM 0 HD11 LEU B 13 5.650 4.425 3.579 1.00 0.00 H new ATOM 0 HD12 LEU B 13 4.914 4.882 2.024 1.00 0.00 H new ATOM 0 HD13 LEU B 13 6.685 4.836 2.191 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.759 6.112 4.985 1.00 0.00 H new ATOM 0 HD22 LEU B 13 7.834 6.582 3.647 1.00 0.00 H new ATOM 0 HD23 LEU B 13 6.839 7.812 4.462 1.00 0.00 H new ATOM 1151 N GLY B 14 3.213 9.095 0.938 1.00 0.00 N ATOM 1152 CA GLY B 14 1.777 9.095 0.830 1.00 0.00 C ATOM 1153 C GLY B 14 1.249 7.864 0.129 1.00 0.00 C ATOM 1154 O GLY B 14 1.578 7.615 -1.031 1.00 0.00 O ATOM 0 H GLY B 14 3.709 9.328 0.078 1.00 0.00 H new ATOM 0 HA2 GLY B 14 1.341 9.156 1.827 1.00 0.00 H new ATOM 0 HA3 GLY B 14 1.457 9.984 0.287 1.00 0.00 H new ATOM 1158 N VAL B 15 0.438 7.088 0.830 1.00 0.00 N ATOM 1159 CA VAL B 15 -0.211 5.932 0.230 1.00 0.00 C ATOM 1160 C VAL B 15 -1.689 6.248 0.004 1.00 0.00 C ATOM 1161 O VAL B 15 -2.320 6.893 0.839 1.00 0.00 O ATOM 1162 CB VAL B 15 -0.051 4.651 1.099 1.00 0.00 C ATOM 1163 CG1 VAL B 15 -0.713 3.449 0.435 1.00 0.00 C ATOM 1164 CG2 VAL B 15 1.422 4.371 1.363 1.00 0.00 C ATOM 0 H VAL B 15 0.213 7.237 1.814 1.00 0.00 H new ATOM 0 HA VAL B 15 0.274 5.726 -0.724 1.00 0.00 H new ATOM 0 HB VAL B 15 -0.551 4.824 2.052 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -0.585 2.569 1.065 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -1.776 3.647 0.301 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -0.252 3.270 -0.536 1.00 0.00 H new ATOM 0 HG21 VAL B 15 1.518 3.472 1.972 1.00 0.00 H new ATOM 0 HG22 VAL B 15 1.940 4.224 0.415 1.00 0.00 H new ATOM 0 HG23 VAL B 15 1.864 5.216 1.891 1.00 0.00 H new ATOM 1174 N TYR B 16 -2.222 5.837 -1.141 1.00 0.00 N ATOM 1175 CA TYR B 16 -3.605 6.141 -1.494 1.00 0.00 C ATOM 1176 C TYR B 16 -4.416 4.853 -1.593 1.00 0.00 C ATOM 1177 O TYR B 16 -4.052 3.951 -2.349 1.00 0.00 O ATOM 1178 CB TYR B 16 -3.647 6.876 -2.838 1.00 0.00 C ATOM 1179 CG TYR B 16 -4.748 7.912 -2.971 1.00 0.00 C ATOM 1180 CD1 TYR B 16 -5.577 8.226 -1.906 1.00 0.00 C ATOM 1181 CD2 TYR B 16 -4.941 8.589 -4.170 1.00 0.00 C ATOM 1182 CE1 TYR B 16 -6.568 9.176 -2.027 1.00 0.00 C ATOM 1183 CE2 TYR B 16 -5.936 9.543 -4.300 1.00 0.00 C ATOM 1184 CZ TYR B 16 -6.743 9.833 -3.223 1.00 0.00 C ATOM 1185 OH TYR B 16 -7.730 10.787 -3.339 1.00 0.00 O ATOM 0 H TYR B 16 -1.718 5.292 -1.841 1.00 0.00 H new ATOM 0 HA TYR B 16 -4.035 6.775 -0.719 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.687 7.367 -2.996 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.764 6.140 -3.633 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.444 7.717 -0.963 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -4.304 8.367 -5.014 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -7.205 9.404 -1.185 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -6.078 10.056 -5.240 1.00 0.00 H new ATOM 0 HH TYR B 16 -7.722 11.158 -4.246 1.00 0.00 H new ATOM 1195 N ILE B 17 -5.508 4.759 -0.842 1.00 0.00 N ATOM 1196 CA ILE B 17 -6.321 3.541 -0.845 1.00 0.00 C ATOM 1197 C ILE B 17 -7.811 3.867 -0.769 1.00 0.00 C ATOM 1198 O ILE B 17 -8.194 4.910 -0.239 1.00 0.00 O ATOM 1199 CB ILE B 17 -5.953 2.583 0.315 1.00 0.00 C ATOM 1200 CG1 ILE B 17 -6.160 3.257 1.672 1.00 0.00 C ATOM 1201 CG2 ILE B 17 -4.517 2.090 0.178 1.00 0.00 C ATOM 1202 CD1 ILE B 17 -5.875 2.340 2.841 1.00 0.00 C ATOM 0 H ILE B 17 -5.850 5.499 -0.230 1.00 0.00 H new ATOM 0 HA ILE B 17 -6.106 3.039 -1.788 1.00 0.00 H new ATOM 0 HB ILE B 17 -6.619 1.722 0.258 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -5.513 4.132 1.739 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -7.188 3.614 1.740 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -4.282 1.419 1.004 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -4.404 1.557 -0.766 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -3.837 2.941 0.198 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -6.040 2.878 3.774 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -6.540 1.477 2.797 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.839 2.003 2.795 1.00 0.00 H new ATOM 1214 N PRO B 18 -8.665 2.969 -1.299 1.00 0.00 N ATOM 1215 CA PRO B 18 -10.129 3.151 -1.326 1.00 0.00 C ATOM 1216 C PRO B 18 -10.725 3.501 0.038 1.00 0.00 C ATOM 1217 O PRO B 18 -10.232 3.073 1.085 1.00 0.00 O ATOM 1218 CB PRO B 18 -10.644 1.790 -1.786 1.00 0.00 C ATOM 1219 CG PRO B 18 -9.530 1.217 -2.588 1.00 0.00 C ATOM 1220 CD PRO B 18 -8.266 1.697 -1.935 1.00 0.00 C ATOM 0 HA PRO B 18 -10.410 3.984 -1.971 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -10.890 1.152 -0.937 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -11.551 1.891 -2.383 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -9.576 0.128 -2.598 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -9.584 1.548 -3.625 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.897 0.980 -1.201 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -7.470 1.846 -2.664 1.00 0.00 H new ATOM 1228 N GLN B 19 -11.809 4.276 -0.003 1.00 0.00 N ATOM 1229 CA GLN B 19 -12.472 4.772 1.201 1.00 0.00 C ATOM 1230 C GLN B 19 -12.929 3.628 2.104 1.00 0.00 C ATOM 1231 O GLN B 19 -12.728 3.673 3.315 1.00 0.00 O ATOM 1232 CB GLN B 19 -13.670 5.655 0.827 1.00 0.00 C ATOM 1233 CG GLN B 19 -14.761 4.920 0.063 1.00 0.00 C ATOM 1234 CD GLN B 19 -15.948 5.800 -0.269 1.00 0.00 C ATOM 1235 OE1 GLN B 19 -15.983 6.444 -1.315 1.00 0.00 O ATOM 1236 NE2 GLN B 19 -16.936 5.818 0.609 1.00 0.00 N ATOM 0 H GLN B 19 -12.251 4.577 -0.872 1.00 0.00 H new ATOM 0 HA GLN B 19 -11.745 5.367 1.754 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -14.097 6.076 1.737 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -13.318 6.492 0.224 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -14.343 4.520 -0.861 1.00 0.00 H new ATOM 0 HG3 GLN B 19 -15.101 4.069 0.654 1.00 0.00 H new ATOM 0 HE21 GLN B 19 -16.867 5.269 1.466 1.00 0.00 H new ATOM 0 HE22 GLN B 19 -17.767 6.381 0.430 1.00 0.00 H new ATOM 1245 N GLU B 20 -13.537 2.608 1.507 1.00 0.00 N ATOM 1246 CA GLU B 20 -14.034 1.458 2.258 1.00 0.00 C ATOM 1247 C GLU B 20 -12.909 0.741 2.984 1.00 0.00 C ATOM 1248 O GLU B 20 -13.101 0.186 4.065 1.00 0.00 O ATOM 1249 CB GLU B 20 -14.749 0.483 1.329 1.00 0.00 C ATOM 1250 CG GLU B 20 -15.925 1.105 0.609 1.00 0.00 C ATOM 1251 CD GLU B 20 -16.910 1.758 1.558 1.00 0.00 C ATOM 1252 OE1 GLU B 20 -17.509 1.043 2.382 1.00 0.00 O ATOM 1253 OE2 GLU B 20 -17.095 2.987 1.477 1.00 0.00 O ATOM 0 H GLU B 20 -13.698 2.554 0.501 1.00 0.00 H new ATOM 0 HA GLU B 20 -14.739 1.831 3.001 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -14.039 0.104 0.594 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -15.096 -0.373 1.908 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -15.561 1.849 -0.099 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -16.439 0.338 0.029 1.00 0.00 H new ATOM 1260 N TRP B 21 -11.727 0.789 2.399 1.00 0.00 N ATOM 1261 CA TRP B 21 -10.579 0.102 2.950 1.00 0.00 C ATOM 1262 C TRP B 21 -9.958 0.972 4.036 1.00 0.00 C ATOM 1263 O TRP B 21 -9.525 0.478 5.072 1.00 0.00 O ATOM 1264 CB TRP B 21 -9.577 -0.178 1.832 1.00 0.00 C ATOM 1265 CG TRP B 21 -8.524 -1.179 2.183 1.00 0.00 C ATOM 1266 CD1 TRP B 21 -8.507 -2.026 3.255 1.00 0.00 C ATOM 1267 CD2 TRP B 21 -7.336 -1.446 1.440 1.00 0.00 C ATOM 1268 NE1 TRP B 21 -7.369 -2.794 3.226 1.00 0.00 N ATOM 1269 CE2 TRP B 21 -6.638 -2.458 2.118 1.00 0.00 C ATOM 1270 CE3 TRP B 21 -6.795 -0.924 0.264 1.00 0.00 C ATOM 1271 CZ2 TRP B 21 -5.425 -2.957 1.657 1.00 0.00 C ATOM 1272 CZ3 TRP B 21 -5.592 -1.416 -0.190 1.00 0.00 C ATOM 1273 CH2 TRP B 21 -4.919 -2.424 0.502 1.00 0.00 C ATOM 0 H TRP B 21 -11.538 1.301 1.537 1.00 0.00 H new ATOM 0 HA TRP B 21 -10.877 -0.849 3.391 1.00 0.00 H new ATOM 0 HB2 TRP B 21 -10.119 -0.531 0.955 1.00 0.00 H new ATOM 0 HB3 TRP B 21 -9.093 0.758 1.552 1.00 0.00 H new ATOM 0 HD1 TRP B 21 -9.275 -2.083 4.013 1.00 0.00 H new ATOM 0 HE1 TRP B 21 -7.111 -3.499 3.916 1.00 0.00 H new ATOM 0 HE3 TRP B 21 -7.311 -0.147 -0.281 1.00 0.00 H new ATOM 0 HZ2 TRP B 21 -4.901 -3.736 2.190 1.00 0.00 H new ATOM 0 HZ3 TRP B 21 -5.162 -1.015 -1.096 1.00 0.00 H new ATOM 0 HH2 TRP B 21 -3.979 -2.791 0.118 1.00 0.00 H new ATOM 1284 N HIS B 22 -9.956 2.275 3.789 1.00 0.00 N ATOM 1285 CA HIS B 22 -9.549 3.259 4.787 1.00 0.00 C ATOM 1286 C HIS B 22 -10.400 3.116 6.049 1.00 0.00 C ATOM 1287 O HIS B 22 -9.880 3.119 7.164 1.00 0.00 O ATOM 1288 CB HIS B 22 -9.701 4.671 4.203 1.00 0.00 C ATOM 1289 CG HIS B 22 -9.478 5.780 5.185 1.00 0.00 C ATOM 1290 ND1 HIS B 22 -10.508 6.459 5.797 1.00 0.00 N ATOM 1291 CD2 HIS B 22 -8.337 6.351 5.632 1.00 0.00 C ATOM 1292 CE1 HIS B 22 -10.013 7.400 6.575 1.00 0.00 C ATOM 1293 NE2 HIS B 22 -8.697 7.355 6.493 1.00 0.00 N ATOM 0 H HIS B 22 -10.235 2.680 2.895 1.00 0.00 H new ATOM 0 HA HIS B 22 -8.506 3.090 5.053 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -8.997 4.787 3.379 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -10.702 4.771 3.784 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -7.330 6.069 5.361 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -10.586 8.090 7.177 1.00 0.00 H new ATOM 0 HE2 HIS B 22 -8.051 7.969 6.990 1.00 0.00 H new ATOM 1302 N ASP B 23 -11.708 2.991 5.844 1.00 0.00 N ATOM 1303 CA ASP B 23 -12.672 2.862 6.935 1.00 0.00 C ATOM 1304 C ASP B 23 -12.382 1.638 7.802 1.00 0.00 C ATOM 1305 O ASP B 23 -12.253 1.744 9.023 1.00 0.00 O ATOM 1306 CB ASP B 23 -14.088 2.772 6.358 1.00 0.00 C ATOM 1307 CG ASP B 23 -15.155 2.611 7.422 1.00 0.00 C ATOM 1308 OD1 ASP B 23 -15.679 3.637 7.907 1.00 0.00 O ATOM 1309 OD2 ASP B 23 -15.496 1.455 7.757 1.00 0.00 O ATOM 0 H ASP B 23 -12.131 2.976 4.916 1.00 0.00 H new ATOM 0 HA ASP B 23 -12.586 3.744 7.570 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.295 3.671 5.778 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -14.140 1.929 5.669 1.00 0.00 H new ATOM 1314 N ARG B 24 -12.240 0.479 7.168 1.00 0.00 N ATOM 1315 CA ARG B 24 -12.069 -0.767 7.911 1.00 0.00 C ATOM 1316 C ARG B 24 -10.670 -0.868 8.504 1.00 0.00 C ATOM 1317 O ARG B 24 -10.484 -1.465 9.563 1.00 0.00 O ATOM 1318 CB ARG B 24 -12.336 -1.987 7.024 1.00 0.00 C ATOM 1319 CG ARG B 24 -13.805 -2.364 6.883 1.00 0.00 C ATOM 1320 CD ARG B 24 -14.625 -1.232 6.296 1.00 0.00 C ATOM 1321 NE ARG B 24 -15.949 -1.673 5.871 1.00 0.00 N ATOM 1322 CZ ARG B 24 -16.703 -1.024 4.989 1.00 0.00 C ATOM 1323 NH1 ARG B 24 -16.310 0.143 4.502 1.00 0.00 N ATOM 1324 NH2 ARG B 24 -17.864 -1.536 4.615 1.00 0.00 N ATOM 0 H ARG B 24 -12.240 0.375 6.153 1.00 0.00 H new ATOM 0 HA ARG B 24 -12.797 -0.756 8.722 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -11.928 -1.794 6.032 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -11.794 -2.840 7.431 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -13.894 -3.245 6.247 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -14.206 -2.634 7.860 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -14.729 -0.439 7.036 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -14.095 -0.806 5.444 1.00 0.00 H new ATOM 0 HE ARG B 24 -16.319 -2.533 6.276 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -15.424 0.549 4.803 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -16.893 0.636 3.826 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -18.178 -2.426 5.003 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -18.445 -1.041 3.939 1.00 0.00 H new ATOM 1338 N LEU B 25 -9.693 -0.275 7.829 1.00 0.00 N ATOM 1339 CA LEU B 25 -8.323 -0.276 8.321 1.00 0.00 C ATOM 1340 C LEU B 25 -8.222 0.458 9.642 1.00 0.00 C ATOM 1341 O LEU B 25 -7.693 -0.073 10.611 1.00 0.00 O ATOM 1342 CB LEU B 25 -7.377 0.365 7.307 1.00 0.00 C ATOM 1343 CG LEU B 25 -6.711 -0.615 6.340 1.00 0.00 C ATOM 1344 CD1 LEU B 25 -5.694 0.103 5.477 1.00 0.00 C ATOM 1345 CD2 LEU B 25 -6.050 -1.756 7.098 1.00 0.00 C ATOM 0 H LEU B 25 -9.824 0.211 6.942 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.030 -1.315 8.470 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.933 1.102 6.728 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -6.599 0.905 7.848 1.00 0.00 H new ATOM 0 HG LEU B 25 -7.483 -1.035 5.694 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -5.229 -0.608 4.794 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -6.191 0.885 4.903 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -4.929 0.550 6.112 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -5.583 -2.441 6.390 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -5.291 -1.355 7.770 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -6.802 -2.291 7.678 1.00 0.00 H new ATOM 1357 N MET B 26 -8.732 1.678 9.677 1.00 0.00 N ATOM 1358 CA MET B 26 -8.658 2.491 10.881 1.00 0.00 C ATOM 1359 C MET B 26 -9.508 1.921 12.010 1.00 0.00 C ATOM 1360 O MET B 26 -9.229 2.167 13.183 1.00 0.00 O ATOM 1361 CB MET B 26 -9.035 3.936 10.580 1.00 0.00 C ATOM 1362 CG MET B 26 -8.001 4.644 9.725 1.00 0.00 C ATOM 1363 SD MET B 26 -8.404 6.373 9.427 1.00 0.00 S ATOM 1364 CE MET B 26 -8.426 7.007 11.104 1.00 0.00 C ATOM 0 H MET B 26 -9.200 2.126 8.889 1.00 0.00 H new ATOM 0 HA MET B 26 -7.624 2.472 11.225 1.00 0.00 H new ATOM 0 HB2 MET B 26 -9.998 3.957 10.070 1.00 0.00 H new ATOM 0 HB3 MET B 26 -9.158 4.478 11.518 1.00 0.00 H new ATOM 0 HG2 MET B 26 -7.029 4.582 10.214 1.00 0.00 H new ATOM 0 HG3 MET B 26 -7.911 4.127 8.770 1.00 0.00 H new ATOM 0 HE1 MET B 26 -8.013 8.016 11.117 1.00 0.00 H new ATOM 0 HE2 MET B 26 -9.452 7.030 11.471 1.00 0.00 H new ATOM 0 HE3 MET B 26 -7.826 6.361 11.745 1.00 0.00 H new ATOM 1374 N GLU B 27 -10.539 1.162 11.669 1.00 0.00 N ATOM 1375 CA GLU B 27 -11.320 0.477 12.686 1.00 0.00 C ATOM 1376 C GLU B 27 -10.468 -0.607 13.350 1.00 0.00 C ATOM 1377 O GLU B 27 -10.463 -0.754 14.578 1.00 0.00 O ATOM 1378 CB GLU B 27 -12.596 -0.105 12.080 1.00 0.00 C ATOM 1379 CG GLU B 27 -13.508 -0.770 13.094 1.00 0.00 C ATOM 1380 CD GLU B 27 -14.941 -0.844 12.616 1.00 0.00 C ATOM 1381 OE1 GLU B 27 -15.205 -1.532 11.610 1.00 0.00 O ATOM 1382 OE2 GLU B 27 -15.809 -0.190 13.232 1.00 0.00 O ATOM 0 H GLU B 27 -10.850 1.007 10.710 1.00 0.00 H new ATOM 0 HA GLU B 27 -11.619 1.192 13.452 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -13.145 0.692 11.579 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -12.325 -0.834 11.316 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -13.144 -1.776 13.301 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -13.469 -0.217 14.032 1.00 0.00 H new ATOM 1389 N ILE B 28 -9.719 -1.341 12.535 1.00 0.00 N ATOM 1390 CA ILE B 28 -8.757 -2.310 13.049 1.00 0.00 C ATOM 1391 C ILE B 28 -7.647 -1.576 13.796 1.00 0.00 C ATOM 1392 O ILE B 28 -7.103 -2.063 14.790 1.00 0.00 O ATOM 1393 CB ILE B 28 -8.146 -3.160 11.909 1.00 0.00 C ATOM 1394 CG1 ILE B 28 -9.250 -3.901 11.146 1.00 0.00 C ATOM 1395 CG2 ILE B 28 -7.124 -4.146 12.458 1.00 0.00 C ATOM 1396 CD1 ILE B 28 -8.744 -4.682 9.949 1.00 0.00 C ATOM 0 H ILE B 28 -9.759 -1.284 11.517 1.00 0.00 H new ATOM 0 HA ILE B 28 -9.280 -2.984 13.727 1.00 0.00 H new ATOM 0 HB ILE B 28 -7.635 -2.490 11.218 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -9.755 -4.585 11.828 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -9.994 -3.179 10.810 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -6.708 -4.733 11.639 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -6.323 -3.600 12.957 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -7.608 -4.812 13.172 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -9.581 -5.180 9.459 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -8.265 -4.001 9.246 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -8.022 -5.428 10.280 1.00 0.00 H new ATOM 1408 N ALA B 29 -7.333 -0.382 13.307 1.00 0.00 N ATOM 1409 CA ALA B 29 -6.340 0.483 13.925 1.00 0.00 C ATOM 1410 C ALA B 29 -6.780 0.926 15.318 1.00 0.00 C ATOM 1411 O ALA B 29 -5.958 1.317 16.144 1.00 0.00 O ATOM 1412 CB ALA B 29 -6.066 1.685 13.038 1.00 0.00 C ATOM 0 H ALA B 29 -7.761 0.012 12.470 1.00 0.00 H new ATOM 0 HA ALA B 29 -5.417 -0.086 14.037 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -5.321 2.325 13.512 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -5.692 1.346 12.072 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -6.988 2.248 12.893 1.00 0.00 H new ATOM 1418 N LYS B 30 -8.079 0.848 15.584 1.00 0.00 N ATOM 1419 CA LYS B 30 -8.593 1.133 16.916 1.00 0.00 C ATOM 1420 C LYS B 30 -8.314 -0.052 17.813 1.00 0.00 C ATOM 1421 O LYS B 30 -7.837 0.097 18.936 1.00 0.00 O ATOM 1422 CB LYS B 30 -10.102 1.369 16.882 1.00 0.00 C ATOM 1423 CG LYS B 30 -10.535 2.605 16.111 1.00 0.00 C ATOM 1424 CD LYS B 30 -12.043 2.633 15.936 1.00 0.00 C ATOM 1425 CE LYS B 30 -12.540 4.015 15.548 1.00 0.00 C ATOM 1426 NZ LYS B 30 -12.375 4.992 16.654 1.00 0.00 N ATOM 0 H LYS B 30 -8.790 0.592 14.899 1.00 0.00 H new ATOM 0 HA LYS B 30 -8.103 2.031 17.291 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -10.583 0.496 16.441 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -10.466 1.450 17.906 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -10.209 3.501 16.640 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -10.051 2.618 15.134 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -12.333 1.914 15.170 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -12.523 2.321 16.864 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -11.995 4.364 14.671 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -13.592 3.957 15.268 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -13.008 5.803 16.498 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -12.612 4.536 17.558 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -11.389 5.322 16.681 1.00 0.00 H new ATOM 1440 N GLU B 31 -8.600 -1.229 17.285 1.00 0.00 N ATOM 1441 CA GLU B 31 -8.378 -2.473 18.000 1.00 0.00 C ATOM 1442 C GLU B 31 -6.906 -2.631 18.402 1.00 0.00 C ATOM 1443 O GLU B 31 -6.601 -3.048 19.516 1.00 0.00 O ATOM 1444 CB GLU B 31 -8.842 -3.653 17.133 1.00 0.00 C ATOM 1445 CG GLU B 31 -8.384 -5.024 17.617 1.00 0.00 C ATOM 1446 CD GLU B 31 -8.782 -5.330 19.048 1.00 0.00 C ATOM 1447 OE1 GLU B 31 -9.812 -4.805 19.516 1.00 0.00 O ATOM 1448 OE2 GLU B 31 -8.063 -6.117 19.703 1.00 0.00 O ATOM 0 H GLU B 31 -8.992 -1.349 16.351 1.00 0.00 H new ATOM 0 HA GLU B 31 -8.962 -2.456 18.920 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -9.931 -3.645 17.087 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -8.479 -3.503 16.116 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -8.801 -5.789 16.962 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -7.299 -5.087 17.530 1.00 0.00 H new ATOM 1455 N LYS B 32 -5.999 -2.275 17.502 1.00 0.00 N ATOM 1456 CA LYS B 32 -4.570 -2.448 17.754 1.00 0.00 C ATOM 1457 C LYS B 32 -3.915 -1.181 18.304 1.00 0.00 C ATOM 1458 O LYS B 32 -2.734 -1.185 18.641 1.00 0.00 O ATOM 1459 CB LYS B 32 -3.850 -2.905 16.482 1.00 0.00 C ATOM 1460 CG LYS B 32 -3.547 -4.397 16.448 1.00 0.00 C ATOM 1461 CD LYS B 32 -4.807 -5.238 16.573 1.00 0.00 C ATOM 1462 CE LYS B 32 -4.478 -6.720 16.634 1.00 0.00 C ATOM 1463 NZ LYS B 32 -5.699 -7.548 16.797 1.00 0.00 N ATOM 0 H LYS B 32 -6.223 -1.866 16.595 1.00 0.00 H new ATOM 0 HA LYS B 32 -4.476 -3.219 18.519 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -4.462 -2.649 15.617 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -2.916 -2.352 16.386 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -3.039 -4.642 15.516 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -2.863 -4.646 17.259 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -5.353 -4.947 17.470 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -5.462 -5.043 15.724 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -3.958 -7.015 15.723 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -3.798 -6.908 17.465 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -5.434 -8.553 16.835 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -6.182 -7.284 17.679 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -6.337 -7.388 15.992 1.00 0.00 H new ATOM 1477 N ASN B 33 -4.696 -0.101 18.390 1.00 0.00 N ATOM 1478 CA ASN B 33 -4.210 1.197 18.887 1.00 0.00 C ATOM 1479 C ASN B 33 -3.063 1.712 18.021 1.00 0.00 C ATOM 1480 O ASN B 33 -2.055 2.213 18.517 1.00 0.00 O ATOM 1481 CB ASN B 33 -3.771 1.103 20.354 1.00 0.00 C ATOM 1482 CG ASN B 33 -4.910 0.725 21.281 1.00 0.00 C ATOM 1483 OD1 ASN B 33 -5.648 1.585 21.767 1.00 0.00 O ATOM 1484 ND2 ASN B 33 -5.053 -0.565 21.539 1.00 0.00 N ATOM 0 H ASN B 33 -5.679 -0.097 18.119 1.00 0.00 H new ATOM 0 HA ASN B 33 -5.037 1.905 18.827 1.00 0.00 H new ATOM 0 HB2 ASN B 33 -2.974 0.365 20.444 1.00 0.00 H new ATOM 0 HB3 ASN B 33 -3.355 2.061 20.667 1.00 0.00 H new ATOM 0 HD21 ASN B 33 -5.796 -0.881 22.162 1.00 0.00 H new ATOM 0 HD22 ASN B 33 -4.420 -1.243 21.115 1.00 0.00 H new ATOM 1491 N LEU B 34 -3.252 1.600 16.720 1.00 0.00 N ATOM 1492 CA LEU B 34 -2.240 1.950 15.730 1.00 0.00 C ATOM 1493 C LEU B 34 -2.840 2.892 14.700 1.00 0.00 C ATOM 1494 O LEU B 34 -4.042 3.150 14.720 1.00 0.00 O ATOM 1495 CB LEU B 34 -1.710 0.693 15.034 1.00 0.00 C ATOM 1496 CG LEU B 34 -0.936 -0.274 15.930 1.00 0.00 C ATOM 1497 CD1 LEU B 34 -0.524 -1.509 15.147 1.00 0.00 C ATOM 1498 CD2 LEU B 34 0.288 0.406 16.526 1.00 0.00 C ATOM 0 H LEU B 34 -4.122 1.259 16.311 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.410 2.442 16.237 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.552 0.159 14.594 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.062 0.999 14.213 1.00 0.00 H new ATOM 0 HG LEU B 34 -1.590 -0.580 16.746 1.00 0.00 H new ATOM 0 HD11 LEU B 34 0.026 -2.187 15.800 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -1.413 -2.012 14.767 1.00 0.00 H new ATOM 0 HD13 LEU B 34 0.111 -1.215 14.311 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.824 -0.300 17.160 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.944 0.743 15.723 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.026 1.263 17.122 1.00 0.00 H new ATOM 1510 N THR B 35 -2.010 3.444 13.835 1.00 0.00 N ATOM 1511 CA THR B 35 -2.516 4.233 12.729 1.00 0.00 C ATOM 1512 C THR B 35 -2.475 3.384 11.470 1.00 0.00 C ATOM 1513 O THR B 35 -1.664 2.460 11.378 1.00 0.00 O ATOM 1514 CB THR B 35 -1.697 5.525 12.503 1.00 0.00 C ATOM 1515 OG1 THR B 35 -0.341 5.207 12.156 1.00 0.00 O ATOM 1516 CG2 THR B 35 -1.710 6.408 13.742 1.00 0.00 C ATOM 0 H THR B 35 -0.994 3.362 13.876 1.00 0.00 H new ATOM 0 HA THR B 35 -3.536 4.534 12.968 1.00 0.00 H new ATOM 0 HB THR B 35 -2.162 6.070 11.681 1.00 0.00 H new ATOM 0 HG1 THR B 35 0.086 4.737 12.902 1.00 0.00 H new ATOM 0 HG21 THR B 35 -1.126 7.309 13.553 1.00 0.00 H new ATOM 0 HG22 THR B 35 -2.737 6.685 13.981 1.00 0.00 H new ATOM 0 HG23 THR B 35 -1.276 5.864 14.581 1.00 0.00 H new ATOM 1524 N LEU B 36 -3.356 3.661 10.515 1.00 0.00 N ATOM 1525 CA LEU B 36 -3.405 2.868 9.289 1.00 0.00 C ATOM 1526 C LEU B 36 -2.065 2.944 8.560 1.00 0.00 C ATOM 1527 O LEU B 36 -1.664 2.006 7.867 1.00 0.00 O ATOM 1528 CB LEU B 36 -4.556 3.308 8.370 1.00 0.00 C ATOM 1529 CG LEU B 36 -4.349 4.609 7.587 1.00 0.00 C ATOM 1530 CD1 LEU B 36 -5.412 4.740 6.509 1.00 0.00 C ATOM 1531 CD2 LEU B 36 -4.390 5.821 8.503 1.00 0.00 C ATOM 0 H LEU B 36 -4.038 4.418 10.563 1.00 0.00 H new ATOM 0 HA LEU B 36 -3.596 1.832 9.567 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.747 2.507 7.656 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -5.455 3.415 8.977 1.00 0.00 H new ATOM 0 HG LEU B 36 -3.363 4.569 7.124 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -5.258 5.667 5.957 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -5.342 3.894 5.825 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.399 4.753 6.971 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -4.240 6.727 7.915 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -5.358 5.868 9.001 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -3.601 5.739 9.251 1.00 0.00 H new ATOM 1543 N SER B 37 -1.373 4.063 8.747 1.00 0.00 N ATOM 1544 CA SER B 37 -0.026 4.240 8.233 1.00 0.00 C ATOM 1545 C SER B 37 0.897 3.140 8.757 1.00 0.00 C ATOM 1546 O SER B 37 1.655 2.529 7.998 1.00 0.00 O ATOM 1547 CB SER B 37 0.495 5.613 8.658 1.00 0.00 C ATOM 1548 OG SER B 37 -0.427 6.636 8.314 1.00 0.00 O ATOM 0 H SER B 37 -1.732 4.869 9.258 1.00 0.00 H new ATOM 0 HA SER B 37 -0.045 4.177 7.145 1.00 0.00 H new ATOM 0 HB2 SER B 37 0.669 5.623 9.734 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.454 5.807 8.178 1.00 0.00 H new ATOM 0 HG SER B 37 -0.005 7.512 8.439 1.00 0.00 H new ATOM 1554 N ASP B 38 0.797 2.871 10.059 1.00 0.00 N ATOM 1555 CA ASP B 38 1.614 1.844 10.697 1.00 0.00 C ATOM 1556 C ASP B 38 1.271 0.474 10.149 1.00 0.00 C ATOM 1557 O ASP B 38 2.150 -0.357 9.967 1.00 0.00 O ATOM 1558 CB ASP B 38 1.422 1.833 12.218 1.00 0.00 C ATOM 1559 CG ASP B 38 1.966 3.071 12.895 1.00 0.00 C ATOM 1560 OD1 ASP B 38 3.162 3.376 12.712 1.00 0.00 O ATOM 1561 OD2 ASP B 38 1.194 3.743 13.616 1.00 0.00 O ATOM 0 H ASP B 38 0.157 3.352 10.691 1.00 0.00 H new ATOM 0 HA ASP B 38 2.655 2.081 10.476 1.00 0.00 H new ATOM 0 HB2 ASP B 38 0.360 1.741 12.443 1.00 0.00 H new ATOM 0 HB3 ASP B 38 1.914 0.953 12.634 1.00 0.00 H new ATOM 1566 N VAL B 39 -0.007 0.254 9.866 1.00 0.00 N ATOM 1567 CA VAL B 39 -0.476 -1.047 9.403 1.00 0.00 C ATOM 1568 C VAL B 39 0.150 -1.414 8.062 1.00 0.00 C ATOM 1569 O VAL B 39 0.608 -2.537 7.884 1.00 0.00 O ATOM 1570 CB VAL B 39 -2.015 -1.084 9.273 1.00 0.00 C ATOM 1571 CG1 VAL B 39 -2.489 -2.482 8.906 1.00 0.00 C ATOM 1572 CG2 VAL B 39 -2.675 -0.618 10.562 1.00 0.00 C ATOM 0 H VAL B 39 -0.738 0.960 9.949 1.00 0.00 H new ATOM 0 HA VAL B 39 -0.169 -1.776 10.153 1.00 0.00 H new ATOM 0 HB VAL B 39 -2.305 -0.402 8.474 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -3.576 -2.487 8.819 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -2.048 -2.778 7.954 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -2.184 -3.185 9.681 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -3.759 -0.652 10.449 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -2.375 -1.272 11.381 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -2.365 0.404 10.781 1.00 0.00 H new ATOM 1582 N CYS B 40 0.191 -0.468 7.133 1.00 0.00 N ATOM 1583 CA CYS B 40 0.736 -0.734 5.804 1.00 0.00 C ATOM 1584 C CYS B 40 2.247 -1.002 5.883 1.00 0.00 C ATOM 1585 O CYS B 40 2.750 -1.970 5.315 1.00 0.00 O ATOM 1586 CB CYS B 40 0.429 0.433 4.859 1.00 0.00 C ATOM 1587 SG CYS B 40 -1.221 1.142 5.069 1.00 0.00 S ATOM 0 H CYS B 40 -0.144 0.485 7.272 1.00 0.00 H new ATOM 0 HA CYS B 40 0.259 -1.628 5.403 1.00 0.00 H new ATOM 0 HB2 CYS B 40 1.171 1.216 5.014 1.00 0.00 H new ATOM 0 HB3 CYS B 40 0.537 0.091 3.830 1.00 0.00 H new ATOM 0 HG CYS B 40 -1.269 1.806 6.186 1.00 0.00 H new ATOM 1593 N ARG B 41 2.959 -0.122 6.576 1.00 0.00 N ATOM 1594 CA ARG B 41 4.371 -0.310 6.900 1.00 0.00 C ATOM 1595 C ARG B 41 4.637 -1.665 7.585 1.00 0.00 C ATOM 1596 O ARG B 41 5.539 -2.404 7.181 1.00 0.00 O ATOM 1597 CB ARG B 41 4.822 0.880 7.774 1.00 0.00 C ATOM 1598 CG ARG B 41 5.959 0.602 8.746 1.00 0.00 C ATOM 1599 CD ARG B 41 5.430 0.345 10.147 1.00 0.00 C ATOM 1600 NE ARG B 41 6.503 0.244 11.135 1.00 0.00 N ATOM 1601 CZ ARG B 41 6.322 0.349 12.452 1.00 0.00 C ATOM 1602 NH1 ARG B 41 5.119 0.628 12.941 1.00 0.00 N ATOM 1603 NH2 ARG B 41 7.353 0.196 13.277 1.00 0.00 N ATOM 0 H ARG B 41 2.571 0.751 6.933 1.00 0.00 H new ATOM 0 HA ARG B 41 4.956 -0.334 5.981 1.00 0.00 H new ATOM 0 HB2 ARG B 41 5.125 1.694 7.116 1.00 0.00 H new ATOM 0 HB3 ARG B 41 3.962 1.233 8.343 1.00 0.00 H new ATOM 0 HG2 ARG B 41 6.530 -0.262 8.405 1.00 0.00 H new ATOM 0 HG3 ARG B 41 6.643 1.450 8.762 1.00 0.00 H new ATOM 0 HD2 ARG B 41 4.753 1.150 10.431 1.00 0.00 H new ATOM 0 HD3 ARG B 41 4.848 -0.577 10.150 1.00 0.00 H new ATOM 0 HE ARG B 41 7.451 0.083 10.795 1.00 0.00 H new ATOM 0 HH11 ARG B 41 4.330 0.763 12.309 1.00 0.00 H new ATOM 0 HH12 ARG B 41 4.984 0.708 13.949 1.00 0.00 H new ATOM 0 HH21 ARG B 41 8.281 -0.001 12.902 1.00 0.00 H new ATOM 0 HH22 ARG B 41 7.216 0.276 14.285 1.00 0.00 H new ATOM 1617 N LEU B 42 3.840 -2.010 8.589 1.00 0.00 N ATOM 1618 CA LEU B 42 4.006 -3.287 9.284 1.00 0.00 C ATOM 1619 C LEU B 42 3.682 -4.437 8.350 1.00 0.00 C ATOM 1620 O LEU B 42 4.219 -5.537 8.477 1.00 0.00 O ATOM 1621 CB LEU B 42 3.102 -3.358 10.517 1.00 0.00 C ATOM 1622 CG LEU B 42 3.490 -2.428 11.667 1.00 0.00 C ATOM 1623 CD1 LEU B 42 2.437 -2.469 12.761 1.00 0.00 C ATOM 1624 CD2 LEU B 42 4.851 -2.816 12.227 1.00 0.00 C ATOM 0 H LEU B 42 3.077 -1.431 8.940 1.00 0.00 H new ATOM 0 HA LEU B 42 5.044 -3.364 9.607 1.00 0.00 H new ATOM 0 HB2 LEU B 42 2.081 -3.126 10.213 1.00 0.00 H new ATOM 0 HB3 LEU B 42 3.099 -4.384 10.886 1.00 0.00 H new ATOM 0 HG LEU B 42 3.550 -1.410 11.283 1.00 0.00 H new ATOM 0 HD11 LEU B 42 2.729 -1.802 13.572 1.00 0.00 H new ATOM 0 HD12 LEU B 42 1.478 -2.149 12.355 1.00 0.00 H new ATOM 0 HD13 LEU B 42 2.348 -3.486 13.143 1.00 0.00 H new ATOM 0 HD21 LEU B 42 5.113 -2.145 13.045 1.00 0.00 H new ATOM 0 HD22 LEU B 42 4.814 -3.841 12.597 1.00 0.00 H new ATOM 0 HD23 LEU B 42 5.603 -2.741 11.441 1.00 0.00 H new ATOM 1636 N ALA B 43 2.812 -4.164 7.398 1.00 0.00 N ATOM 1637 CA ALA B 43 2.401 -5.157 6.437 1.00 0.00 C ATOM 1638 C ALA B 43 3.506 -5.431 5.423 1.00 0.00 C ATOM 1639 O ALA B 43 3.570 -6.518 4.861 1.00 0.00 O ATOM 1640 CB ALA B 43 1.128 -4.717 5.746 1.00 0.00 C ATOM 0 H ALA B 43 2.374 -3.251 7.273 1.00 0.00 H new ATOM 0 HA ALA B 43 2.204 -6.089 6.967 1.00 0.00 H new ATOM 0 HB1 ALA B 43 0.826 -5.474 5.022 1.00 0.00 H new ATOM 0 HB2 ALA B 43 0.338 -4.588 6.486 1.00 0.00 H new ATOM 0 HB3 ALA B 43 1.301 -3.772 5.231 1.00 0.00 H new ATOM 1646 N ILE B 44 4.376 -4.446 5.188 1.00 0.00 N ATOM 1647 CA ILE B 44 5.525 -4.658 4.313 1.00 0.00 C ATOM 1648 C ILE B 44 6.495 -5.599 5.001 1.00 0.00 C ATOM 1649 O ILE B 44 7.062 -6.497 4.380 1.00 0.00 O ATOM 1650 CB ILE B 44 6.257 -3.343 3.935 1.00 0.00 C ATOM 1651 CG1 ILE B 44 5.326 -2.415 3.145 1.00 0.00 C ATOM 1652 CG2 ILE B 44 7.518 -3.646 3.131 1.00 0.00 C ATOM 1653 CD1 ILE B 44 6.037 -1.244 2.486 1.00 0.00 C ATOM 0 H ILE B 44 4.307 -3.509 5.585 1.00 0.00 H new ATOM 0 HA ILE B 44 5.152 -5.086 3.382 1.00 0.00 H new ATOM 0 HB ILE B 44 6.548 -2.835 4.855 1.00 0.00 H new ATOM 0 HG12 ILE B 44 4.816 -2.996 2.377 1.00 0.00 H new ATOM 0 HG13 ILE B 44 4.558 -2.030 3.816 1.00 0.00 H new ATOM 0 HG21 ILE B 44 8.019 -2.713 2.874 1.00 0.00 H new ATOM 0 HG22 ILE B 44 8.189 -4.266 3.726 1.00 0.00 H new ATOM 0 HG23 ILE B 44 7.248 -4.176 2.218 1.00 0.00 H new ATOM 0 HD11 ILE B 44 5.312 -0.635 1.947 1.00 0.00 H new ATOM 0 HD12 ILE B 44 6.524 -0.638 3.250 1.00 0.00 H new ATOM 0 HD13 ILE B 44 6.786 -1.619 1.788 1.00 0.00 H new ATOM 1665 N LYS B 45 6.662 -5.392 6.301 1.00 0.00 N ATOM 1666 CA LYS B 45 7.482 -6.274 7.116 1.00 0.00 C ATOM 1667 C LYS B 45 6.963 -7.711 7.038 1.00 0.00 C ATOM 1668 O LYS B 45 7.737 -8.668 6.940 1.00 0.00 O ATOM 1669 CB LYS B 45 7.496 -5.788 8.565 1.00 0.00 C ATOM 1670 CG LYS B 45 8.208 -6.729 9.521 1.00 0.00 C ATOM 1671 CD LYS B 45 8.248 -6.166 10.933 1.00 0.00 C ATOM 1672 CE LYS B 45 9.191 -4.979 11.044 1.00 0.00 C ATOM 1673 NZ LYS B 45 10.596 -5.363 10.740 1.00 0.00 N ATOM 0 H LYS B 45 6.238 -4.618 6.813 1.00 0.00 H new ATOM 0 HA LYS B 45 8.502 -6.257 6.732 1.00 0.00 H new ATOM 0 HB2 LYS B 45 7.977 -4.811 8.606 1.00 0.00 H new ATOM 0 HB3 LYS B 45 6.469 -5.651 8.902 1.00 0.00 H new ATOM 0 HG2 LYS B 45 7.701 -7.694 9.528 1.00 0.00 H new ATOM 0 HG3 LYS B 45 9.225 -6.905 9.170 1.00 0.00 H new ATOM 0 HD2 LYS B 45 7.245 -5.862 11.231 1.00 0.00 H new ATOM 0 HD3 LYS B 45 8.563 -6.946 11.626 1.00 0.00 H new ATOM 0 HE2 LYS B 45 8.871 -4.195 10.358 1.00 0.00 H new ATOM 0 HE3 LYS B 45 9.137 -4.564 12.050 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 11.243 -4.646 11.126 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 10.805 -6.286 11.172 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 10.723 -5.426 9.710 1.00 0.00 H new ATOM 1687 N GLU B 46 5.645 -7.846 7.060 1.00 0.00 N ATOM 1688 CA GLU B 46 5.006 -9.145 6.960 1.00 0.00 C ATOM 1689 C GLU B 46 5.209 -9.691 5.560 1.00 0.00 C ATOM 1690 O GLU B 46 5.513 -10.867 5.374 1.00 0.00 O ATOM 1691 CB GLU B 46 3.511 -9.020 7.271 1.00 0.00 C ATOM 1692 CG GLU B 46 2.796 -10.355 7.405 1.00 0.00 C ATOM 1693 CD GLU B 46 3.263 -11.146 8.609 1.00 0.00 C ATOM 1694 OE1 GLU B 46 4.405 -11.642 8.591 1.00 0.00 O ATOM 1695 OE2 GLU B 46 2.480 -11.291 9.570 1.00 0.00 O ATOM 0 H GLU B 46 4.996 -7.064 7.147 1.00 0.00 H new ATOM 0 HA GLU B 46 5.451 -9.829 7.682 1.00 0.00 H new ATOM 0 HB2 GLU B 46 3.388 -8.459 8.197 1.00 0.00 H new ATOM 0 HB3 GLU B 46 3.033 -8.440 6.481 1.00 0.00 H new ATOM 0 HG2 GLU B 46 1.723 -10.182 7.482 1.00 0.00 H new ATOM 0 HG3 GLU B 46 2.960 -10.943 6.502 1.00 0.00 H new ATOM 1702 N TYR B 47 5.090 -8.793 4.593 1.00 0.00 N ATOM 1703 CA TYR B 47 5.199 -9.126 3.185 1.00 0.00 C ATOM 1704 C TYR B 47 6.575 -9.704 2.872 1.00 0.00 C ATOM 1705 O TYR B 47 6.693 -10.723 2.189 1.00 0.00 O ATOM 1706 CB TYR B 47 4.946 -7.864 2.346 1.00 0.00 C ATOM 1707 CG TYR B 47 4.878 -8.099 0.855 1.00 0.00 C ATOM 1708 CD1 TYR B 47 6.020 -8.043 0.066 1.00 0.00 C ATOM 1709 CD2 TYR B 47 3.664 -8.362 0.234 1.00 0.00 C ATOM 1710 CE1 TYR B 47 5.955 -8.249 -1.297 1.00 0.00 C ATOM 1711 CE2 TYR B 47 3.591 -8.568 -1.127 1.00 0.00 C ATOM 1712 CZ TYR B 47 4.738 -8.509 -1.889 1.00 0.00 C ATOM 1713 OH TYR B 47 4.667 -8.716 -3.245 1.00 0.00 O ATOM 0 H TYR B 47 4.913 -7.804 4.768 1.00 0.00 H new ATOM 0 HA TYR B 47 4.453 -9.882 2.938 1.00 0.00 H new ATOM 0 HB2 TYR B 47 4.010 -7.410 2.671 1.00 0.00 H new ATOM 0 HB3 TYR B 47 5.738 -7.144 2.551 1.00 0.00 H new ATOM 0 HD1 TYR B 47 6.974 -7.835 0.527 1.00 0.00 H new ATOM 0 HD2 TYR B 47 2.762 -8.406 0.827 1.00 0.00 H new ATOM 0 HE1 TYR B 47 6.853 -8.207 -1.896 1.00 0.00 H new ATOM 0 HE2 TYR B 47 2.639 -8.775 -1.594 1.00 0.00 H new ATOM 0 HH TYR B 47 3.737 -8.887 -3.501 1.00 0.00 H new ATOM 1723 N LEU B 48 7.606 -9.057 3.393 1.00 0.00 N ATOM 1724 CA LEU B 48 8.977 -9.493 3.173 1.00 0.00 C ATOM 1725 C LEU B 48 9.213 -10.863 3.795 1.00 0.00 C ATOM 1726 O LEU B 48 9.874 -11.717 3.206 1.00 0.00 O ATOM 1727 CB LEU B 48 9.960 -8.477 3.766 1.00 0.00 C ATOM 1728 CG LEU B 48 9.856 -7.058 3.203 1.00 0.00 C ATOM 1729 CD1 LEU B 48 10.828 -6.132 3.916 1.00 0.00 C ATOM 1730 CD2 LEU B 48 10.118 -7.056 1.705 1.00 0.00 C ATOM 0 H LEU B 48 7.519 -8.223 3.974 1.00 0.00 H new ATOM 0 HA LEU B 48 9.143 -9.564 2.098 1.00 0.00 H new ATOM 0 HB2 LEU B 48 9.806 -8.434 4.844 1.00 0.00 H new ATOM 0 HB3 LEU B 48 10.975 -8.841 3.603 1.00 0.00 H new ATOM 0 HG LEU B 48 8.843 -6.693 3.373 1.00 0.00 H new ATOM 0 HD11 LEU B 48 10.742 -5.127 3.504 1.00 0.00 H new ATOM 0 HD12 LEU B 48 10.594 -6.109 4.980 1.00 0.00 H new ATOM 0 HD13 LEU B 48 11.846 -6.495 3.776 1.00 0.00 H new ATOM 0 HD21 LEU B 48 10.039 -6.038 1.323 1.00 0.00 H new ATOM 0 HD22 LEU B 48 11.119 -7.440 1.510 1.00 0.00 H new ATOM 0 HD23 LEU B 48 9.383 -7.688 1.206 1.00 0.00 H new ATOM 1742 N ASP B 49 8.659 -11.068 4.982 1.00 0.00 N ATOM 1743 CA ASP B 49 8.852 -12.314 5.715 1.00 0.00 C ATOM 1744 C ASP B 49 8.308 -13.520 4.951 1.00 0.00 C ATOM 1745 O ASP B 49 9.042 -14.473 4.685 1.00 0.00 O ATOM 1746 CB ASP B 49 8.199 -12.237 7.093 1.00 0.00 C ATOM 1747 CG ASP B 49 8.387 -13.517 7.885 1.00 0.00 C ATOM 1748 OD1 ASP B 49 9.465 -13.691 8.495 1.00 0.00 O ATOM 1749 OD2 ASP B 49 7.464 -14.357 7.895 1.00 0.00 O ATOM 0 H ASP B 49 8.070 -10.386 5.460 1.00 0.00 H new ATOM 0 HA ASP B 49 9.927 -12.449 5.833 1.00 0.00 H new ATOM 0 HB2 ASP B 49 8.624 -11.401 7.649 1.00 0.00 H new ATOM 0 HB3 ASP B 49 7.134 -12.035 6.978 1.00 0.00 H new ATOM 1754 N ASN B 50 7.035 -13.468 4.566 1.00 0.00 N ATOM 1755 CA ASN B 50 6.386 -14.639 3.977 1.00 0.00 C ATOM 1756 C ASN B 50 6.778 -14.832 2.514 1.00 0.00 C ATOM 1757 O ASN B 50 6.643 -15.930 1.975 1.00 0.00 O ATOM 1758 CB ASN B 50 4.856 -14.575 4.113 1.00 0.00 C ATOM 1759 CG ASN B 50 4.208 -13.482 3.281 1.00 0.00 C ATOM 1760 OD1 ASN B 50 3.908 -13.673 2.105 1.00 0.00 O ATOM 1761 ND2 ASN B 50 3.966 -12.337 3.895 1.00 0.00 N ATOM 0 H ASN B 50 6.440 -12.644 4.649 1.00 0.00 H new ATOM 0 HA ASN B 50 6.741 -15.502 4.540 1.00 0.00 H new ATOM 0 HB2 ASN B 50 4.435 -15.537 3.822 1.00 0.00 H new ATOM 0 HB3 ASN B 50 4.601 -14.419 5.161 1.00 0.00 H new ATOM 0 HD21 ASN B 50 3.515 -11.573 3.391 1.00 0.00 H new ATOM 0 HD22 ASN B 50 4.230 -12.217 4.873 1.00 0.00 H new ATOM 1768 N HIS B 51 7.292 -13.783 1.877 1.00 0.00 N ATOM 1769 CA HIS B 51 7.728 -13.883 0.483 1.00 0.00 C ATOM 1770 C HIS B 51 9.171 -14.366 0.404 1.00 0.00 C ATOM 1771 O HIS B 51 9.619 -14.860 -0.629 1.00 0.00 O ATOM 1772 CB HIS B 51 7.577 -12.541 -0.243 1.00 0.00 C ATOM 1773 CG HIS B 51 6.200 -12.298 -0.783 1.00 0.00 C ATOM 1774 ND1 HIS B 51 5.899 -12.379 -2.124 1.00 0.00 N ATOM 1775 CD2 HIS B 51 5.041 -11.972 -0.162 1.00 0.00 C ATOM 1776 CE1 HIS B 51 4.620 -12.115 -2.308 1.00 0.00 C ATOM 1777 NE2 HIS B 51 4.076 -11.865 -1.133 1.00 0.00 N ATOM 0 H HIS B 51 7.417 -12.862 2.297 1.00 0.00 H new ATOM 0 HA HIS B 51 7.087 -14.612 -0.013 1.00 0.00 H new ATOM 0 HB2 HIS B 51 7.835 -11.735 0.444 1.00 0.00 H new ATOM 0 HB3 HIS B 51 8.292 -12.500 -1.065 1.00 0.00 H new ATOM 0 HD2 HIS B 51 4.902 -11.824 0.899 1.00 0.00 H new ATOM 0 HE1 HIS B 51 4.106 -12.105 -3.258 1.00 0.00 H new ATOM 0 HE2 HIS B 51 3.097 -11.630 -0.972 1.00 0.00 H new