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 Set 1.1: A 40 CYS SG : rot 180:sc= -7.35! USER MOD Set 1.2: B 40 CYS SG : rot -5:sc= -4.12! USER MOD Set 2.1: A 50 ASN : amide:sc= 0.179 K(o=2.6,f=1.4!) USER MOD Set 2.2: B 50 ASN : amide:sc= 2.47 K(o=2.6,f=-1.2) USER MOD Single : A 12 LYS NZ :NH3+ -167:sc=-0.00717 (180deg=-0.126) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.0966 USER MOD Single : A 19 GLN : amide:sc= 0.527 K(o=0.53,f=-0.6) USER MOD Single : A 22 HIS : no HD1:sc= -0.765 K(o=-0.76,f=-0.23) USER MOD Single : A 26 MET CE :methyl -146:sc= -0.143 (180deg=-0.587) USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= -0.164 (180deg=-0.611) USER MOD Single : A 32 LYS NZ :NH3+ 156:sc= 1.23 (180deg=1.17) USER MOD Single : A 33 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.48) USER MOD Single : A 35 THR OG1 : rot -33:sc= 0.901 USER MOD Single : A 37 SER OG : rot -134:sc= 0.975 USER MOD Single : A 45 LYS NZ :NH3+ 159:sc= 1.2 (180deg=0.908) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.109) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.023) USER MOD Single : B 22 HIS : no HD1:sc= -3.76! C(o=-3.8!,f=-4.6!) USER MOD Single : B 26 MET CE :methyl -159:sc= -0.199 (180deg=-0.845) USER MOD Single : B 30 LYS NZ :NH3+ 163:sc= 1.03 (180deg=0.483) USER MOD Single : B 32 LYS NZ :NH3+ 158:sc= 1.17 (180deg=0.642) USER MOD Single : B 33 ASN : amide:sc=-0.00969 X(o=-0.0097,f=-0.075) USER MOD Single : B 35 THR OG1 : rot -71:sc= 1.2 USER MOD Single : B 37 SER OG : rot 180:sc= -0.566 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 HIS : no HE2:sc= -2.08! C(o=-2.1!,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 150 N ILE A 11 -7.805 7.938 -0.366 1.00 0.00 N ATOM 151 CA ILE A 11 -7.658 8.829 0.772 1.00 0.00 C ATOM 152 C ILE A 11 -6.191 8.847 1.189 1.00 0.00 C ATOM 153 O ILE A 11 -5.464 7.881 0.929 1.00 0.00 O ATOM 154 CB ILE A 11 -8.554 8.382 1.957 1.00 0.00 C ATOM 155 CG1 ILE A 11 -9.987 8.117 1.484 1.00 0.00 C ATOM 156 CG2 ILE A 11 -8.555 9.431 3.062 1.00 0.00 C ATOM 157 CD1 ILE A 11 -10.689 9.349 0.948 1.00 0.00 C ATOM 0 HA ILE A 11 -7.977 9.831 0.486 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.141 7.456 2.357 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.968 7.353 0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.565 7.712 2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.190 9.095 3.882 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.538 9.576 3.427 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.938 10.373 2.669 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.698 9.084 0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.740 10.107 1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.134 9.742 0.096 1.00 0.00 H new ATOM 169 N LYS A 12 -5.769 9.917 1.853 1.00 0.00 N ATOM 170 CA LYS A 12 -4.357 10.172 2.085 1.00 0.00 C ATOM 171 C LYS A 12 -3.927 9.753 3.480 1.00 0.00 C ATOM 172 O LYS A 12 -4.587 10.054 4.476 1.00 0.00 O ATOM 173 CB LYS A 12 -4.074 11.664 1.874 1.00 0.00 C ATOM 174 CG LYS A 12 -2.678 12.113 2.282 1.00 0.00 C ATOM 175 CD LYS A 12 -1.596 11.371 1.518 1.00 0.00 C ATOM 176 CE LYS A 12 -0.236 12.007 1.742 1.00 0.00 C ATOM 177 NZ LYS A 12 -0.108 13.309 1.030 1.00 0.00 N ATOM 0 H LYS A 12 -6.392 10.625 2.242 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.782 9.576 1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.224 11.902 0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.806 12.242 2.439 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.576 13.184 2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.543 11.951 3.351 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.571 10.329 1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.831 11.373 0.454 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.078 12.160 2.810 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.544 11.327 1.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.889 13.604 1.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.446 13.205 0.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.678 14.029 1.518 1.00 0.00 H new ATOM 191 N LEU A 13 -2.819 9.035 3.525 1.00 0.00 N ATOM 192 CA LEU A 13 -2.201 8.622 4.766 1.00 0.00 C ATOM 193 C LEU A 13 -0.718 8.966 4.735 1.00 0.00 C ATOM 194 O LEU A 13 -0.043 8.746 3.724 1.00 0.00 O ATOM 195 CB LEU A 13 -2.399 7.118 5.008 1.00 0.00 C ATOM 196 CG LEU A 13 -2.154 6.205 3.799 1.00 0.00 C ATOM 197 CD1 LEU A 13 -1.784 4.803 4.256 1.00 0.00 C ATOM 198 CD2 LEU A 13 -3.392 6.145 2.912 1.00 0.00 C ATOM 0 H LEU A 13 -2.321 8.721 2.692 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.678 9.156 5.588 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.732 6.809 5.813 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.418 6.958 5.359 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.327 6.621 3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.614 4.170 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.876 4.844 4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.596 4.389 4.853 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.198 5.493 2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.232 5.753 3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.633 7.146 2.555 1.00 0.00 H new ATOM 210 N GLY A 14 -0.225 9.523 5.828 1.00 0.00 N ATOM 211 CA GLY A 14 1.151 9.954 5.889 1.00 0.00 C ATOM 212 C GLY A 14 2.000 8.985 6.673 1.00 0.00 C ATOM 213 O GLY A 14 1.880 8.893 7.896 1.00 0.00 O ATOM 0 H GLY A 14 -0.760 9.685 6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.548 10.052 4.878 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.204 10.941 6.349 1.00 0.00 H new ATOM 217 N VAL A 15 2.860 8.267 5.979 1.00 0.00 N ATOM 218 CA VAL A 15 3.656 7.226 6.601 1.00 0.00 C ATOM 219 C VAL A 15 5.092 7.701 6.798 1.00 0.00 C ATOM 220 O VAL A 15 5.608 8.493 6.003 1.00 0.00 O ATOM 221 CB VAL A 15 3.657 5.939 5.742 1.00 0.00 C ATOM 222 CG1 VAL A 15 4.249 4.768 6.510 1.00 0.00 C ATOM 223 CG2 VAL A 15 2.254 5.610 5.252 1.00 0.00 C ATOM 0 H VAL A 15 3.026 8.386 4.980 1.00 0.00 H new ATOM 0 HA VAL A 15 3.210 7.002 7.570 1.00 0.00 H new ATOM 0 HB VAL A 15 4.286 6.121 4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.237 3.877 5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.276 4.999 6.791 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.659 4.586 7.408 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.282 4.701 4.651 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.596 5.459 6.108 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.878 6.434 4.646 1.00 0.00 H new ATOM 233 N TYR A 16 5.716 7.237 7.872 1.00 0.00 N ATOM 234 CA TYR A 16 7.123 7.508 8.120 1.00 0.00 C ATOM 235 C TYR A 16 7.868 6.214 8.378 1.00 0.00 C ATOM 236 O TYR A 16 7.554 5.474 9.313 1.00 0.00 O ATOM 237 CB TYR A 16 7.309 8.461 9.298 1.00 0.00 C ATOM 238 CG TYR A 16 7.386 9.908 8.879 1.00 0.00 C ATOM 239 CD1 TYR A 16 8.506 10.375 8.215 1.00 0.00 C ATOM 240 CD2 TYR A 16 6.351 10.800 9.131 1.00 0.00 C ATOM 241 CE1 TYR A 16 8.602 11.683 7.811 1.00 0.00 C ATOM 242 CE2 TYR A 16 6.440 12.121 8.729 1.00 0.00 C ATOM 243 CZ TYR A 16 7.571 12.557 8.068 1.00 0.00 C ATOM 244 OH TYR A 16 7.671 13.868 7.658 1.00 0.00 O ATOM 0 H TYR A 16 5.266 6.668 8.589 1.00 0.00 H new ATOM 0 HA TYR A 16 7.531 7.988 7.231 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.481 8.334 9.995 1.00 0.00 H new ATOM 0 HB3 TYR A 16 8.220 8.195 9.833 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.321 9.697 8.010 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.466 10.458 9.647 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.485 12.026 7.292 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.630 12.806 8.931 1.00 0.00 H new ATOM 0 HH TYR A 16 6.860 14.354 7.915 1.00 0.00 H new ATOM 254 N ILE A 17 8.850 5.942 7.538 1.00 0.00 N ATOM 255 CA ILE A 17 9.604 4.706 7.623 1.00 0.00 C ATOM 256 C ILE A 17 11.100 4.991 7.634 1.00 0.00 C ATOM 257 O ILE A 17 11.525 6.079 7.247 1.00 0.00 O ATOM 258 CB ILE A 17 9.270 3.767 6.446 1.00 0.00 C ATOM 259 CG1 ILE A 17 9.729 4.381 5.118 1.00 0.00 C ATOM 260 CG2 ILE A 17 7.772 3.479 6.411 1.00 0.00 C ATOM 261 CD1 ILE A 17 9.433 3.515 3.912 1.00 0.00 C ATOM 0 H ILE A 17 9.145 6.564 6.786 1.00 0.00 H new ATOM 0 HA ILE A 17 9.323 4.214 8.554 1.00 0.00 H new ATOM 0 HB ILE A 17 9.803 2.827 6.590 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.243 5.348 4.988 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.802 4.567 5.166 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.549 2.815 5.576 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.471 3.002 7.344 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.225 4.414 6.288 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.786 4.015 3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.941 2.557 4.019 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.358 3.349 3.838 1.00 0.00 H new ATOM 273 N PRO A 18 11.914 4.025 8.088 1.00 0.00 N ATOM 274 CA PRO A 18 13.373 4.166 8.119 1.00 0.00 C ATOM 275 C PRO A 18 13.969 4.488 6.747 1.00 0.00 C ATOM 276 O PRO A 18 13.374 4.185 5.707 1.00 0.00 O ATOM 277 CB PRO A 18 13.858 2.794 8.600 1.00 0.00 C ATOM 278 CG PRO A 18 12.700 2.212 9.331 1.00 0.00 C ATOM 279 CD PRO A 18 11.477 2.725 8.631 1.00 0.00 C ATOM 0 HA PRO A 18 13.679 4.993 8.759 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.153 2.163 7.761 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.728 2.888 9.250 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.733 1.123 9.313 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.707 2.514 10.378 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.153 2.048 7.841 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.638 2.838 9.318 1.00 0.00 H new ATOM 287 N GLN A 19 15.148 5.096 6.751 1.00 0.00 N ATOM 288 CA GLN A 19 15.839 5.435 5.513 1.00 0.00 C ATOM 289 C GLN A 19 16.133 4.176 4.706 1.00 0.00 C ATOM 290 O GLN A 19 15.802 4.098 3.523 1.00 0.00 O ATOM 291 CB GLN A 19 17.147 6.179 5.808 1.00 0.00 C ATOM 292 CG GLN A 19 17.976 6.466 4.562 1.00 0.00 C ATOM 293 CD GLN A 19 17.257 7.356 3.567 1.00 0.00 C ATOM 294 OE1 GLN A 19 17.371 8.577 3.614 1.00 0.00 O ATOM 295 NE2 GLN A 19 16.513 6.747 2.656 1.00 0.00 N ATOM 0 H GLN A 19 15.647 5.365 7.599 1.00 0.00 H new ATOM 0 HA GLN A 19 15.188 6.087 4.930 1.00 0.00 H new ATOM 0 HB2 GLN A 19 16.916 7.121 6.306 1.00 0.00 H new ATOM 0 HB3 GLN A 19 17.743 5.588 6.504 1.00 0.00 H new ATOM 0 HG2 GLN A 19 18.912 6.941 4.856 1.00 0.00 H new ATOM 0 HG3 GLN A 19 18.234 5.524 4.079 1.00 0.00 H new ATOM 0 HE21 GLN A 19 16.444 5.729 2.651 1.00 0.00 H new ATOM 0 HE22 GLN A 19 16.009 7.296 1.960 1.00 0.00 H new ATOM 304 N GLU A 20 16.742 3.195 5.363 1.00 0.00 N ATOM 305 CA GLU A 20 17.090 1.925 4.730 1.00 0.00 C ATOM 306 C GLU A 20 15.851 1.206 4.206 1.00 0.00 C ATOM 307 O GLU A 20 15.938 0.359 3.322 1.00 0.00 O ATOM 308 CB GLU A 20 17.840 1.041 5.723 1.00 0.00 C ATOM 309 CG GLU A 20 19.152 1.648 6.187 1.00 0.00 C ATOM 310 CD GLU A 20 20.186 1.730 5.080 1.00 0.00 C ATOM 311 OE1 GLU A 20 20.125 2.676 4.268 1.00 0.00 O ATOM 312 OE2 GLU A 20 21.069 0.847 5.026 1.00 0.00 O ATOM 0 H GLU A 20 17.008 3.256 6.346 1.00 0.00 H new ATOM 0 HA GLU A 20 17.735 2.134 3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 20 17.205 0.858 6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.037 0.073 5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 20 18.966 2.648 6.579 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.552 1.053 7.008 1.00 0.00 H new ATOM 319 N TRP A 21 14.695 1.580 4.727 1.00 0.00 N ATOM 320 CA TRP A 21 13.441 0.972 4.327 1.00 0.00 C ATOM 321 C TRP A 21 12.970 1.616 3.031 1.00 0.00 C ATOM 322 O TRP A 21 12.693 0.931 2.049 1.00 0.00 O ATOM 323 CB TRP A 21 12.410 1.198 5.428 1.00 0.00 C ATOM 324 CG TRP A 21 11.659 -0.023 5.850 1.00 0.00 C ATOM 325 CD1 TRP A 21 12.173 -1.159 6.397 1.00 0.00 C ATOM 326 CD2 TRP A 21 10.249 -0.202 5.800 1.00 0.00 C ATOM 327 NE1 TRP A 21 11.159 -2.038 6.693 1.00 0.00 N ATOM 328 CE2 TRP A 21 9.965 -1.471 6.330 1.00 0.00 C ATOM 329 CE3 TRP A 21 9.200 0.592 5.354 1.00 0.00 C ATOM 330 CZ2 TRP A 21 8.662 -1.954 6.431 1.00 0.00 C ATOM 331 CZ3 TRP A 21 7.916 0.118 5.451 1.00 0.00 C ATOM 332 CH2 TRP A 21 7.653 -1.141 5.983 1.00 0.00 C ATOM 0 H TRP A 21 14.601 2.309 5.434 1.00 0.00 H new ATOM 0 HA TRP A 21 13.571 -0.099 4.169 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.916 1.614 6.299 1.00 0.00 H new ATOM 0 HB3 TRP A 21 11.695 1.947 5.087 1.00 0.00 H new ATOM 0 HD1 TRP A 21 13.223 -1.342 6.572 1.00 0.00 H new ATOM 0 HE1 TRP A 21 11.276 -2.960 7.113 1.00 0.00 H new ATOM 0 HE3 TRP A 21 9.393 1.569 4.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 8.455 -2.930 6.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.096 0.732 5.109 1.00 0.00 H new ATOM 0 HH2 TRP A 21 6.631 -1.485 6.044 1.00 0.00 H new ATOM 343 N HIS A 22 12.921 2.946 3.029 1.00 0.00 N ATOM 344 CA HIS A 22 12.564 3.708 1.836 1.00 0.00 C ATOM 345 C HIS A 22 13.530 3.375 0.704 1.00 0.00 C ATOM 346 O HIS A 22 13.140 3.291 -0.458 1.00 0.00 O ATOM 347 CB HIS A 22 12.614 5.213 2.137 1.00 0.00 C ATOM 348 CG HIS A 22 12.065 6.085 1.041 1.00 0.00 C ATOM 349 ND1 HIS A 22 12.779 6.439 -0.086 1.00 0.00 N ATOM 350 CD2 HIS A 22 10.858 6.685 0.913 1.00 0.00 C ATOM 351 CE1 HIS A 22 12.033 7.210 -0.854 1.00 0.00 C ATOM 352 NE2 HIS A 22 10.866 7.374 -0.272 1.00 0.00 N ATOM 0 H HIS A 22 13.126 3.521 3.846 1.00 0.00 H new ATOM 0 HA HIS A 22 11.551 3.441 1.535 1.00 0.00 H new ATOM 0 HB2 HIS A 22 12.055 5.407 3.053 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.648 5.499 2.328 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.039 6.631 1.615 1.00 0.00 H new ATOM 0 HE1 HIS A 22 12.331 7.635 -1.801 1.00 0.00 H new ATOM 0 HE2 HIS A 22 10.092 7.925 -0.642 1.00 0.00 H new ATOM 361 N ASP A 23 14.788 3.184 1.076 1.00 0.00 N ATOM 362 CA ASP A 23 15.862 2.893 0.132 1.00 0.00 C ATOM 363 C ASP A 23 15.636 1.574 -0.615 1.00 0.00 C ATOM 364 O ASP A 23 15.577 1.552 -1.848 1.00 0.00 O ATOM 365 CB ASP A 23 17.193 2.849 0.886 1.00 0.00 C ATOM 366 CG ASP A 23 18.367 2.518 -0.005 1.00 0.00 C ATOM 367 OD1 ASP A 23 18.620 1.319 -0.235 1.00 0.00 O ATOM 368 OD2 ASP A 23 19.059 3.454 -0.458 1.00 0.00 O ATOM 0 H ASP A 23 15.096 3.227 2.048 1.00 0.00 H new ATOM 0 HA ASP A 23 15.878 3.685 -0.617 1.00 0.00 H new ATOM 0 HB2 ASP A 23 17.366 3.814 1.362 1.00 0.00 H new ATOM 0 HB3 ASP A 23 17.128 2.108 1.683 1.00 0.00 H new ATOM 373 N ARG A 24 15.478 0.477 0.128 1.00 0.00 N ATOM 374 CA ARG A 24 15.392 -0.849 -0.486 1.00 0.00 C ATOM 375 C ARG A 24 14.040 -1.039 -1.155 1.00 0.00 C ATOM 376 O ARG A 24 13.940 -1.695 -2.193 1.00 0.00 O ATOM 377 CB ARG A 24 15.593 -1.961 0.552 1.00 0.00 C ATOM 378 CG ARG A 24 16.795 -1.780 1.472 1.00 0.00 C ATOM 379 CD ARG A 24 18.127 -1.815 0.734 1.00 0.00 C ATOM 380 NE ARG A 24 19.245 -1.936 1.677 1.00 0.00 N ATOM 381 CZ ARG A 24 19.802 -0.919 2.348 1.00 0.00 C ATOM 382 NH1 ARG A 24 19.505 0.346 2.059 1.00 0.00 N ATOM 383 NH2 ARG A 24 20.702 -1.173 3.288 1.00 0.00 N ATOM 0 H ARG A 24 15.408 0.479 1.146 1.00 0.00 H new ATOM 0 HA ARG A 24 16.186 -0.913 -1.230 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.694 -2.031 1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.697 -2.911 0.028 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.703 -0.829 1.997 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.786 -2.564 2.229 1.00 0.00 H new ATOM 0 HD2 ARG A 24 18.140 -2.654 0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 24 18.243 -0.908 0.141 1.00 0.00 H new ATOM 0 HE ARG A 24 19.628 -2.868 1.834 1.00 0.00 H new ATOM 0 HH11 ARG A 24 18.841 0.557 1.314 1.00 0.00 H new ATOM 0 HH12 ARG A 24 19.941 1.105 2.583 1.00 0.00 H new ATOM 0 HH21 ARG A 24 20.965 -2.136 3.495 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.131 -0.405 3.804 1.00 0.00 H new ATOM 397 N LEU A 25 13.003 -0.458 -0.567 1.00 0.00 N ATOM 398 CA LEU A 25 11.663 -0.568 -1.119 1.00 0.00 C ATOM 399 C LEU A 25 11.587 0.113 -2.478 1.00 0.00 C ATOM 400 O LEU A 25 11.061 -0.457 -3.429 1.00 0.00 O ATOM 401 CB LEU A 25 10.627 0.029 -0.161 1.00 0.00 C ATOM 402 CG LEU A 25 9.968 -0.971 0.805 1.00 0.00 C ATOM 403 CD1 LEU A 25 9.155 -1.998 0.035 1.00 0.00 C ATOM 404 CD2 LEU A 25 11.009 -1.665 1.672 1.00 0.00 C ATOM 0 H LEU A 25 13.065 0.092 0.290 1.00 0.00 H new ATOM 0 HA LEU A 25 11.436 -1.626 -1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.108 0.812 0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.845 0.508 -0.751 1.00 0.00 H new ATOM 0 HG LEU A 25 9.299 -0.412 1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.696 -2.697 0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.376 -1.492 -0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.808 -2.543 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.514 -2.366 2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.710 -2.206 1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.550 -0.921 2.257 1.00 0.00 H new ATOM 416 N MET A 26 12.122 1.327 -2.572 1.00 0.00 N ATOM 417 CA MET A 26 12.124 2.055 -3.837 1.00 0.00 C ATOM 418 C MET A 26 12.991 1.374 -4.886 1.00 0.00 C ATOM 419 O MET A 26 12.729 1.496 -6.080 1.00 0.00 O ATOM 420 CB MET A 26 12.570 3.501 -3.641 1.00 0.00 C ATOM 421 CG MET A 26 11.516 4.367 -2.974 1.00 0.00 C ATOM 422 SD MET A 26 9.974 4.444 -3.911 1.00 0.00 S ATOM 423 CE MET A 26 10.549 5.093 -5.479 1.00 0.00 C ATOM 0 H MET A 26 12.556 1.824 -1.794 1.00 0.00 H new ATOM 0 HA MET A 26 11.097 2.053 -4.202 1.00 0.00 H new ATOM 0 HB2 MET A 26 13.478 3.516 -3.038 1.00 0.00 H new ATOM 0 HB3 MET A 26 12.824 3.931 -4.610 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.310 3.977 -1.977 1.00 0.00 H new ATOM 0 HG3 MET A 26 11.909 5.376 -2.847 1.00 0.00 H new ATOM 0 HE1 MET A 26 9.781 5.736 -5.910 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.460 5.671 -5.322 1.00 0.00 H new ATOM 0 HE3 MET A 26 10.756 4.268 -6.160 1.00 0.00 H new ATOM 433 N GLU A 27 14.019 0.660 -4.449 1.00 0.00 N ATOM 434 CA GLU A 27 14.873 -0.075 -5.375 1.00 0.00 C ATOM 435 C GLU A 27 14.062 -1.174 -6.056 1.00 0.00 C ATOM 436 O GLU A 27 14.015 -1.269 -7.289 1.00 0.00 O ATOM 437 CB GLU A 27 16.067 -0.686 -4.638 1.00 0.00 C ATOM 438 CG GLU A 27 17.138 -1.228 -5.570 1.00 0.00 C ATOM 439 CD GLU A 27 17.866 -0.127 -6.312 1.00 0.00 C ATOM 440 OE1 GLU A 27 18.805 0.459 -5.731 1.00 0.00 O ATOM 441 OE2 GLU A 27 17.507 0.170 -7.467 1.00 0.00 O ATOM 0 H GLU A 27 14.282 0.573 -3.467 1.00 0.00 H new ATOM 0 HA GLU A 27 15.251 0.616 -6.128 1.00 0.00 H new ATOM 0 HB2 GLU A 27 16.509 0.070 -3.989 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.714 -1.492 -3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 27 17.856 -1.811 -4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 27 16.680 -1.907 -6.290 1.00 0.00 H new ATOM 448 N ILE A 28 13.398 -1.983 -5.240 1.00 0.00 N ATOM 449 CA ILE A 28 12.526 -3.035 -5.745 1.00 0.00 C ATOM 450 C ILE A 28 11.377 -2.414 -6.535 1.00 0.00 C ATOM 451 O ILE A 28 10.889 -2.981 -7.514 1.00 0.00 O ATOM 452 CB ILE A 28 11.955 -3.895 -4.594 1.00 0.00 C ATOM 453 CG1 ILE A 28 13.094 -4.474 -3.751 1.00 0.00 C ATOM 454 CG2 ILE A 28 11.077 -5.014 -5.143 1.00 0.00 C ATOM 455 CD1 ILE A 28 12.627 -5.262 -2.544 1.00 0.00 C ATOM 0 H ILE A 28 13.447 -1.930 -4.223 1.00 0.00 H new ATOM 0 HA ILE A 28 13.117 -3.682 -6.393 1.00 0.00 H new ATOM 0 HB ILE A 28 11.339 -3.258 -3.959 1.00 0.00 H new ATOM 0 HG12 ILE A 28 13.706 -5.121 -4.380 1.00 0.00 H new ATOM 0 HG13 ILE A 28 13.734 -3.659 -3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 28 10.685 -5.607 -4.317 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.249 -4.584 -5.706 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.669 -5.652 -5.799 1.00 0.00 H new ATOM 0 HD11 ILE A 28 13.492 -5.639 -1.999 1.00 0.00 H new ATOM 0 HD12 ILE A 28 12.041 -4.615 -1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 28 12.012 -6.100 -2.872 1.00 0.00 H new ATOM 467 N ALA A 29 10.965 -1.229 -6.097 1.00 0.00 N ATOM 468 CA ALA A 29 9.911 -0.478 -6.757 1.00 0.00 C ATOM 469 C ALA A 29 10.313 -0.074 -8.175 1.00 0.00 C ATOM 470 O ALA A 29 9.465 0.063 -9.046 1.00 0.00 O ATOM 471 CB ALA A 29 9.542 0.746 -5.935 1.00 0.00 C ATOM 0 H ALA A 29 11.354 -0.765 -5.276 1.00 0.00 H new ATOM 0 HA ALA A 29 9.038 -1.125 -6.836 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.751 1.299 -6.441 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.193 0.432 -4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.417 1.386 -5.822 1.00 0.00 H new ATOM 477 N LYS A 30 11.609 0.079 -8.417 1.00 0.00 N ATOM 478 CA LYS A 30 12.087 0.450 -9.744 1.00 0.00 C ATOM 479 C LYS A 30 12.018 -0.760 -10.656 1.00 0.00 C ATOM 480 O LYS A 30 11.698 -0.654 -11.839 1.00 0.00 O ATOM 481 CB LYS A 30 13.532 0.954 -9.689 1.00 0.00 C ATOM 482 CG LYS A 30 13.733 2.222 -8.877 1.00 0.00 C ATOM 483 CD LYS A 30 13.045 3.417 -9.509 1.00 0.00 C ATOM 484 CE LYS A 30 13.466 4.711 -8.834 1.00 0.00 C ATOM 485 NZ LYS A 30 14.933 4.952 -8.950 1.00 0.00 N ATOM 0 H LYS A 30 12.342 -0.047 -7.719 1.00 0.00 H new ATOM 0 HA LYS A 30 11.455 1.252 -10.126 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.161 0.168 -9.271 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.879 1.132 -10.707 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.346 2.072 -7.869 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.799 2.426 -8.782 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.288 3.461 -10.571 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.964 3.299 -9.435 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.925 5.545 -9.281 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.187 4.678 -7.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.129 5.966 -8.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.433 4.411 -8.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.262 4.647 -9.888 1.00 0.00 H new ATOM 499 N GLU A 31 12.318 -1.910 -10.081 1.00 0.00 N ATOM 500 CA GLU A 31 12.213 -3.178 -10.785 1.00 0.00 C ATOM 501 C GLU A 31 10.754 -3.468 -11.174 1.00 0.00 C ATOM 502 O GLU A 31 10.480 -4.060 -12.219 1.00 0.00 O ATOM 503 CB GLU A 31 12.771 -4.294 -9.900 1.00 0.00 C ATOM 504 CG GLU A 31 12.853 -5.653 -10.568 1.00 0.00 C ATOM 505 CD GLU A 31 13.449 -6.697 -9.650 1.00 0.00 C ATOM 506 OE1 GLU A 31 12.716 -7.211 -8.778 1.00 0.00 O ATOM 507 OE2 GLU A 31 14.659 -6.992 -9.777 1.00 0.00 O ATOM 0 H GLU A 31 12.640 -1.993 -9.117 1.00 0.00 H new ATOM 0 HA GLU A 31 12.795 -3.126 -11.705 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.768 -4.009 -9.565 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.148 -4.379 -9.010 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.856 -5.967 -10.876 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.457 -5.577 -11.472 1.00 0.00 H new ATOM 514 N LYS A 32 9.825 -3.039 -10.326 1.00 0.00 N ATOM 515 CA LYS A 32 8.399 -3.307 -10.535 1.00 0.00 C ATOM 516 C LYS A 32 7.671 -2.145 -11.224 1.00 0.00 C ATOM 517 O LYS A 32 6.483 -2.249 -11.536 1.00 0.00 O ATOM 518 CB LYS A 32 7.722 -3.632 -9.197 1.00 0.00 C ATOM 519 CG LYS A 32 7.697 -5.118 -8.846 1.00 0.00 C ATOM 520 CD LYS A 32 9.069 -5.764 -8.964 1.00 0.00 C ATOM 521 CE LYS A 32 9.022 -7.237 -8.587 1.00 0.00 C ATOM 522 NZ LYS A 32 10.234 -7.966 -9.043 1.00 0.00 N ATOM 0 H LYS A 32 10.031 -2.502 -9.484 1.00 0.00 H new ATOM 0 HA LYS A 32 8.332 -4.166 -11.202 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.238 -3.092 -8.403 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.698 -3.260 -9.222 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.326 -5.242 -7.829 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.998 -5.633 -9.505 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.436 -5.660 -9.985 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.775 -5.243 -8.317 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.927 -7.332 -7.505 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.136 -7.696 -9.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.373 -8.811 -8.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.114 -8.252 -10.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.064 -7.345 -8.959 1.00 0.00 H new ATOM 536 N ASN A 33 8.394 -1.044 -11.448 1.00 0.00 N ATOM 537 CA ASN A 33 7.834 0.165 -12.075 1.00 0.00 C ATOM 538 C ASN A 33 6.711 0.746 -11.203 1.00 0.00 C ATOM 539 O ASN A 33 5.691 1.232 -11.688 1.00 0.00 O ATOM 540 CB ASN A 33 7.341 -0.143 -13.501 1.00 0.00 C ATOM 541 CG ASN A 33 7.057 1.107 -14.321 1.00 0.00 C ATOM 542 OD1 ASN A 33 5.926 1.595 -14.372 1.00 0.00 O ATOM 543 ND2 ASN A 33 8.081 1.625 -14.983 1.00 0.00 N ATOM 0 H ASN A 33 9.381 -0.962 -11.202 1.00 0.00 H new ATOM 0 HA ASN A 33 8.619 0.917 -12.154 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.090 -0.744 -14.015 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.434 -0.745 -13.443 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.948 2.456 -15.560 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.003 1.193 -14.916 1.00 0.00 H new ATOM 550 N LEU A 34 6.934 0.693 -9.903 1.00 0.00 N ATOM 551 CA LEU A 34 5.975 1.151 -8.907 1.00 0.00 C ATOM 552 C LEU A 34 6.672 2.066 -7.910 1.00 0.00 C ATOM 553 O LEU A 34 7.892 2.210 -7.945 1.00 0.00 O ATOM 554 CB LEU A 34 5.363 -0.045 -8.171 1.00 0.00 C ATOM 555 CG LEU A 34 4.501 -0.971 -9.028 1.00 0.00 C ATOM 556 CD1 LEU A 34 4.096 -2.204 -8.236 1.00 0.00 C ATOM 557 CD2 LEU A 34 3.266 -0.236 -9.531 1.00 0.00 C ATOM 0 H LEU A 34 7.797 0.326 -9.501 1.00 0.00 H new ATOM 0 HA LEU A 34 5.178 1.700 -9.409 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.170 -0.631 -7.732 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.756 0.329 -7.347 1.00 0.00 H new ATOM 0 HG LEU A 34 5.089 -1.289 -9.889 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.483 -2.853 -8.861 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.989 -2.743 -7.920 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.526 -1.901 -7.358 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.664 -0.911 -10.140 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.677 0.110 -8.681 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.572 0.620 -10.133 1.00 0.00 H new ATOM 569 N THR A 35 5.904 2.728 -7.066 1.00 0.00 N ATOM 570 CA THR A 35 6.481 3.488 -5.971 1.00 0.00 C ATOM 571 C THR A 35 6.274 2.730 -4.662 1.00 0.00 C ATOM 572 O THR A 35 5.429 1.834 -4.605 1.00 0.00 O ATOM 573 CB THR A 35 5.878 4.904 -5.863 1.00 0.00 C ATOM 574 OG1 THR A 35 4.449 4.838 -5.746 1.00 0.00 O ATOM 575 CG2 THR A 35 6.252 5.744 -7.075 1.00 0.00 C ATOM 0 H THR A 35 4.886 2.756 -7.116 1.00 0.00 H new ATOM 0 HA THR A 35 7.546 3.606 -6.171 1.00 0.00 H new ATOM 0 HB THR A 35 6.287 5.373 -4.968 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.114 4.070 -6.255 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.816 6.738 -6.977 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.337 5.828 -7.139 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.871 5.268 -7.979 1.00 0.00 H new ATOM 583 N LEU A 36 7.033 3.059 -3.623 1.00 0.00 N ATOM 584 CA LEU A 36 6.916 2.349 -2.347 1.00 0.00 C ATOM 585 C LEU A 36 5.498 2.454 -1.790 1.00 0.00 C ATOM 586 O LEU A 36 5.014 1.541 -1.124 1.00 0.00 O ATOM 587 CB LEU A 36 7.932 2.875 -1.324 1.00 0.00 C ATOM 588 CG LEU A 36 7.572 4.185 -0.615 1.00 0.00 C ATOM 589 CD1 LEU A 36 8.525 4.419 0.541 1.00 0.00 C ATOM 590 CD2 LEU A 36 7.619 5.365 -1.575 1.00 0.00 C ATOM 0 H LEU A 36 7.730 3.804 -3.634 1.00 0.00 H new ATOM 0 HA LEU A 36 7.135 1.298 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.082 2.107 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.887 3.013 -1.831 1.00 0.00 H new ATOM 0 HG LEU A 36 6.553 4.100 -0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.266 5.351 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.449 3.593 1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.546 4.481 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.359 6.279 -1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.624 5.459 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.908 5.203 -2.385 1.00 0.00 H new ATOM 602 N SER A 37 4.840 3.568 -2.084 1.00 0.00 N ATOM 603 CA SER A 37 3.454 3.775 -1.693 1.00 0.00 C ATOM 604 C SER A 37 2.568 2.659 -2.242 1.00 0.00 C ATOM 605 O SER A 37 1.688 2.147 -1.546 1.00 0.00 O ATOM 606 CB SER A 37 2.976 5.131 -2.208 1.00 0.00 C ATOM 607 OG SER A 37 3.850 6.170 -1.795 1.00 0.00 O ATOM 0 H SER A 37 5.250 4.348 -2.597 1.00 0.00 H new ATOM 0 HA SER A 37 3.387 3.758 -0.605 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.918 5.111 -3.296 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.970 5.330 -1.839 1.00 0.00 H new ATOM 0 HG SER A 37 3.325 6.921 -1.448 1.00 0.00 H new ATOM 613 N ASP A 38 2.823 2.270 -3.488 1.00 0.00 N ATOM 614 CA ASP A 38 2.069 1.201 -4.127 1.00 0.00 C ATOM 615 C ASP A 38 2.353 -0.117 -3.428 1.00 0.00 C ATOM 616 O ASP A 38 1.445 -0.902 -3.168 1.00 0.00 O ATOM 617 CB ASP A 38 2.435 1.075 -5.610 1.00 0.00 C ATOM 618 CG ASP A 38 2.222 2.357 -6.390 1.00 0.00 C ATOM 619 OD1 ASP A 38 1.068 2.824 -6.482 1.00 0.00 O ATOM 620 OD2 ASP A 38 3.210 2.898 -6.934 1.00 0.00 O ATOM 0 H ASP A 38 3.549 2.682 -4.075 1.00 0.00 H new ATOM 0 HA ASP A 38 1.009 1.443 -4.050 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.479 0.775 -5.695 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.838 0.281 -6.059 1.00 0.00 H new ATOM 625 N VAL A 39 3.622 -0.340 -3.107 1.00 0.00 N ATOM 626 CA VAL A 39 4.052 -1.572 -2.457 1.00 0.00 C ATOM 627 C VAL A 39 3.455 -1.687 -1.057 1.00 0.00 C ATOM 628 O VAL A 39 3.109 -2.776 -0.608 1.00 0.00 O ATOM 629 CB VAL A 39 5.592 -1.652 -2.363 1.00 0.00 C ATOM 630 CG1 VAL A 39 6.033 -2.985 -1.777 1.00 0.00 C ATOM 631 CG2 VAL A 39 6.229 -1.432 -3.729 1.00 0.00 C ATOM 0 H VAL A 39 4.376 0.322 -3.288 1.00 0.00 H new ATOM 0 HA VAL A 39 3.694 -2.399 -3.070 1.00 0.00 H new ATOM 0 HB VAL A 39 5.929 -0.859 -1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.121 -3.016 -1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.615 -3.099 -0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.679 -3.797 -2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.314 -1.493 -3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.879 -2.198 -4.421 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.951 -0.448 -4.106 1.00 0.00 H new ATOM 641 N CYS A 40 3.334 -0.559 -0.375 1.00 0.00 N ATOM 642 CA CYS A 40 2.757 -0.526 0.962 1.00 0.00 C ATOM 643 C CYS A 40 1.278 -0.914 0.890 1.00 0.00 C ATOM 644 O CYS A 40 0.811 -1.783 1.626 1.00 0.00 O ATOM 645 CB CYS A 40 2.945 0.882 1.561 1.00 0.00 C ATOM 646 SG CYS A 40 3.140 0.928 3.350 1.00 0.00 S ATOM 0 H CYS A 40 3.629 0.352 -0.727 1.00 0.00 H new ATOM 0 HA CYS A 40 3.261 -1.243 1.610 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.821 1.341 1.103 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.085 1.494 1.288 1.00 0.00 H new ATOM 0 HG CYS A 40 3.291 2.159 3.739 1.00 0.00 H new ATOM 652 N ARG A 41 0.551 -0.241 0.013 1.00 0.00 N ATOM 653 CA ARG A 41 -0.817 -0.621 -0.351 1.00 0.00 C ATOM 654 C ARG A 41 -0.916 -2.114 -0.695 1.00 0.00 C ATOM 655 O ARG A 41 -1.814 -2.809 -0.220 1.00 0.00 O ATOM 656 CB ARG A 41 -1.267 0.240 -1.548 1.00 0.00 C ATOM 657 CG ARG A 41 -2.658 -0.069 -2.089 1.00 0.00 C ATOM 658 CD ARG A 41 -2.631 -1.124 -3.186 1.00 0.00 C ATOM 659 NE ARG A 41 -3.980 -1.502 -3.607 1.00 0.00 N ATOM 660 CZ ARG A 41 -4.256 -2.207 -4.703 1.00 0.00 C ATOM 661 NH1 ARG A 41 -3.298 -2.523 -5.565 1.00 0.00 N ATOM 662 NH2 ARG A 41 -5.508 -2.555 -4.957 1.00 0.00 N ATOM 0 H ARG A 41 0.889 0.590 -0.473 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.472 -0.445 0.503 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.235 1.289 -1.252 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.546 0.115 -2.355 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.294 -0.413 -1.273 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.105 0.846 -2.479 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.076 -0.743 -4.043 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.101 -2.007 -2.829 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.762 -1.206 -3.022 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.338 -2.226 -5.392 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.522 -3.063 -6.401 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.253 -2.283 -4.316 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.727 -3.095 -5.794 1.00 0.00 H new ATOM 676 N LEU A 42 0.011 -2.606 -1.503 1.00 0.00 N ATOM 677 CA LEU A 42 0.024 -4.017 -1.887 1.00 0.00 C ATOM 678 C LEU A 42 0.318 -4.907 -0.689 1.00 0.00 C ATOM 679 O LEU A 42 -0.087 -6.071 -0.649 1.00 0.00 O ATOM 680 CB LEU A 42 1.072 -4.268 -2.972 1.00 0.00 C ATOM 681 CG LEU A 42 0.769 -3.637 -4.328 1.00 0.00 C ATOM 682 CD1 LEU A 42 1.945 -3.819 -5.274 1.00 0.00 C ATOM 683 CD2 LEU A 42 -0.486 -4.249 -4.925 1.00 0.00 C ATOM 0 H LEU A 42 0.766 -2.052 -1.908 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.965 -4.262 -2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.033 -3.891 -2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.182 -5.344 -3.107 1.00 0.00 H new ATOM 0 HG LEU A 42 0.603 -2.569 -4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.712 -3.363 -6.236 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.829 -3.342 -4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.138 -4.883 -5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.690 -3.790 -5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.341 -5.321 -5.056 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.329 -4.076 -4.256 1.00 0.00 H new ATOM 695 N ALA A 43 1.007 -4.346 0.288 1.00 0.00 N ATOM 696 CA ALA A 43 1.414 -5.084 1.464 1.00 0.00 C ATOM 697 C ALA A 43 0.216 -5.417 2.344 1.00 0.00 C ATOM 698 O ALA A 43 0.037 -6.564 2.746 1.00 0.00 O ATOM 699 CB ALA A 43 2.444 -4.290 2.242 1.00 0.00 C ATOM 0 H ALA A 43 1.298 -3.368 0.286 1.00 0.00 H new ATOM 0 HA ALA A 43 1.862 -6.025 1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.745 -4.852 3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.315 -4.109 1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.013 -3.337 2.548 1.00 0.00 H new ATOM 705 N ILE A 44 -0.616 -4.416 2.632 1.00 0.00 N ATOM 706 CA ILE A 44 -1.799 -4.638 3.457 1.00 0.00 C ATOM 707 C ILE A 44 -2.816 -5.482 2.722 1.00 0.00 C ATOM 708 O ILE A 44 -3.590 -6.208 3.341 1.00 0.00 O ATOM 709 CB ILE A 44 -2.473 -3.334 3.934 1.00 0.00 C ATOM 710 CG1 ILE A 44 -2.373 -2.235 2.876 1.00 0.00 C ATOM 711 CG2 ILE A 44 -1.877 -2.878 5.253 1.00 0.00 C ATOM 712 CD1 ILE A 44 -3.030 -0.936 3.298 1.00 0.00 C ATOM 0 H ILE A 44 -0.494 -3.456 2.310 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.442 -5.162 4.344 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.532 -3.540 4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.322 -2.048 2.655 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.836 -2.585 1.953 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.365 -1.957 5.574 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.028 -3.650 6.007 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.809 -2.698 5.127 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.923 -0.199 2.502 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.088 -1.110 3.492 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.552 -0.564 4.204 1.00 0.00 H new ATOM 724 N LYS A 45 -2.813 -5.395 1.400 1.00 0.00 N ATOM 725 CA LYS A 45 -3.695 -6.220 0.599 1.00 0.00 C ATOM 726 C LYS A 45 -3.417 -7.698 0.860 1.00 0.00 C ATOM 727 O LYS A 45 -4.336 -8.470 1.134 1.00 0.00 O ATOM 728 CB LYS A 45 -3.555 -5.897 -0.890 1.00 0.00 C ATOM 729 CG LYS A 45 -4.511 -6.687 -1.773 1.00 0.00 C ATOM 730 CD LYS A 45 -5.948 -6.547 -1.295 1.00 0.00 C ATOM 731 CE LYS A 45 -6.922 -7.316 -2.175 1.00 0.00 C ATOM 732 NZ LYS A 45 -6.607 -8.771 -2.239 1.00 0.00 N ATOM 0 H LYS A 45 -2.214 -4.766 0.866 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.723 -6.001 0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.729 -4.832 -1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.531 -6.100 -1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.432 -6.337 -2.802 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.226 -7.739 -1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.025 -6.907 -0.269 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.225 -5.493 -1.284 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.934 -7.183 -1.793 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.904 -6.899 -3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.455 -9.297 -2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.845 -8.931 -2.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.302 -9.102 -1.301 1.00 0.00 H new ATOM 746 N GLU A 46 -2.148 -8.086 0.796 1.00 0.00 N ATOM 747 CA GLU A 46 -1.776 -9.465 1.063 1.00 0.00 C ATOM 748 C GLU A 46 -1.846 -9.732 2.559 1.00 0.00 C ATOM 749 O GLU A 46 -2.063 -10.859 2.985 1.00 0.00 O ATOM 750 CB GLU A 46 -0.378 -9.785 0.520 1.00 0.00 C ATOM 751 CG GLU A 46 -0.037 -11.266 0.592 1.00 0.00 C ATOM 752 CD GLU A 46 1.268 -11.614 -0.091 1.00 0.00 C ATOM 753 OE1 GLU A 46 1.340 -11.505 -1.334 1.00 0.00 O ATOM 754 OE2 GLU A 46 2.224 -12.011 0.601 1.00 0.00 O ATOM 0 H GLU A 46 -1.369 -7.470 0.564 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.481 -10.118 0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.312 -9.452 -0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.363 -9.219 1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.016 -11.569 1.638 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.843 -11.840 0.134 1.00 0.00 H new ATOM 761 N TYR A 47 -1.687 -8.676 3.349 1.00 0.00 N ATOM 762 CA TYR A 47 -1.781 -8.780 4.795 1.00 0.00 C ATOM 763 C TYR A 47 -3.177 -9.247 5.188 1.00 0.00 C ATOM 764 O TYR A 47 -3.333 -10.124 6.039 1.00 0.00 O ATOM 765 CB TYR A 47 -1.466 -7.428 5.449 1.00 0.00 C ATOM 766 CG TYR A 47 -1.559 -7.425 6.961 1.00 0.00 C ATOM 767 CD1 TYR A 47 -0.462 -7.763 7.743 1.00 0.00 C ATOM 768 CD2 TYR A 47 -2.743 -7.081 7.605 1.00 0.00 C ATOM 769 CE1 TYR A 47 -0.543 -7.760 9.121 1.00 0.00 C ATOM 770 CE2 TYR A 47 -2.829 -7.076 8.983 1.00 0.00 C ATOM 771 CZ TYR A 47 -1.727 -7.416 9.736 1.00 0.00 C ATOM 772 OH TYR A 47 -1.811 -7.412 11.109 1.00 0.00 O ATOM 0 H TYR A 47 -1.492 -7.735 3.007 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.051 -9.510 5.146 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.460 -7.124 5.159 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.152 -6.679 5.054 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.469 -8.032 7.266 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.609 -6.814 7.018 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.319 -8.026 9.715 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.756 -6.807 9.468 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.714 -7.145 11.381 1.00 0.00 H new ATOM 782 N LEU A 48 -4.183 -8.660 4.550 1.00 0.00 N ATOM 783 CA LEU A 48 -5.570 -9.027 4.793 1.00 0.00 C ATOM 784 C LEU A 48 -5.825 -10.458 4.346 1.00 0.00 C ATOM 785 O LEU A 48 -6.317 -11.276 5.115 1.00 0.00 O ATOM 786 CB LEU A 48 -6.518 -8.080 4.049 1.00 0.00 C ATOM 787 CG LEU A 48 -6.408 -6.603 4.430 1.00 0.00 C ATOM 788 CD1 LEU A 48 -7.355 -5.765 3.585 1.00 0.00 C ATOM 789 CD2 LEU A 48 -6.707 -6.410 5.907 1.00 0.00 C ATOM 0 H LEU A 48 -4.061 -7.923 3.856 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.759 -8.947 5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.333 -8.176 2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.543 -8.407 4.226 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.387 -6.273 4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.264 -4.716 3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.100 -5.879 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.380 -6.098 3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.624 -5.353 6.160 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.718 -6.756 6.122 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.994 -6.982 6.500 1.00 0.00 H new ATOM 801 N ASP A 49 -5.459 -10.748 3.104 1.00 0.00 N ATOM 802 CA ASP A 49 -5.653 -12.076 2.516 1.00 0.00 C ATOM 803 C ASP A 49 -4.902 -13.163 3.288 1.00 0.00 C ATOM 804 O ASP A 49 -5.288 -14.332 3.271 1.00 0.00 O ATOM 805 CB ASP A 49 -5.191 -12.066 1.057 1.00 0.00 C ATOM 806 CG ASP A 49 -6.232 -11.505 0.104 1.00 0.00 C ATOM 807 OD1 ASP A 49 -6.398 -10.266 0.039 1.00 0.00 O ATOM 808 OD2 ASP A 49 -6.886 -12.307 -0.591 1.00 0.00 O ATOM 0 H ASP A 49 -5.021 -10.076 2.475 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.716 -12.309 2.571 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.278 -11.476 0.976 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.941 -13.083 0.755 1.00 0.00 H new ATOM 813 N ASN A 50 -3.812 -12.777 3.936 1.00 0.00 N ATOM 814 CA ASN A 50 -2.989 -13.717 4.694 1.00 0.00 C ATOM 815 C ASN A 50 -3.542 -13.915 6.106 1.00 0.00 C ATOM 816 O ASN A 50 -3.594 -15.036 6.610 1.00 0.00 O ATOM 817 CB ASN A 50 -1.545 -13.206 4.759 1.00 0.00 C ATOM 818 CG ASN A 50 -0.542 -14.254 5.219 1.00 0.00 C ATOM 819 OD1 ASN A 50 -0.860 -15.155 5.992 1.00 0.00 O ATOM 820 ND2 ASN A 50 0.685 -14.138 4.736 1.00 0.00 N ATOM 0 H ASN A 50 -3.473 -11.815 3.954 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.008 -14.681 4.185 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.253 -12.845 3.773 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.502 -12.353 5.436 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.404 -14.810 5.003 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.911 -13.376 4.096 1.00 0.00 H new ATOM 1084 N GLY B 10 14.024 8.330 9.117 1.00 0.00 N ATOM 1085 CA GLY B 10 12.609 8.592 8.981 1.00 0.00 C ATOM 1086 C GLY B 10 12.303 9.419 7.751 1.00 0.00 C ATOM 1087 O GLY B 10 12.564 10.622 7.722 1.00 0.00 O ATOM 0 HA2 GLY B 10 12.069 7.647 8.927 1.00 0.00 H new ATOM 0 HA3 GLY B 10 12.250 9.114 9.868 1.00 0.00 H new ATOM 1091 N ILE B 11 11.759 8.769 6.736 1.00 0.00 N ATOM 1092 CA ILE B 11 11.444 9.421 5.473 1.00 0.00 C ATOM 1093 C ILE B 11 9.929 9.509 5.304 1.00 0.00 C ATOM 1094 O ILE B 11 9.197 8.654 5.807 1.00 0.00 O ATOM 1095 CB ILE B 11 12.063 8.653 4.277 1.00 0.00 C ATOM 1096 CG1 ILE B 11 13.551 8.379 4.519 1.00 0.00 C ATOM 1097 CG2 ILE B 11 11.877 9.427 2.976 1.00 0.00 C ATOM 1098 CD1 ILE B 11 14.373 9.633 4.736 1.00 0.00 C ATOM 0 H ILE B 11 11.523 7.777 6.762 1.00 0.00 H new ATOM 0 HA ILE B 11 11.870 10.424 5.490 1.00 0.00 H new ATOM 0 HB ILE B 11 11.542 7.699 4.189 1.00 0.00 H new ATOM 0 HG12 ILE B 11 13.655 7.731 5.390 1.00 0.00 H new ATOM 0 HG13 ILE B 11 13.955 7.834 3.666 1.00 0.00 H new ATOM 0 HG21 ILE B 11 12.320 8.867 2.153 1.00 0.00 H new ATOM 0 HG22 ILE B 11 10.813 9.570 2.787 1.00 0.00 H new ATOM 0 HG23 ILE B 11 12.365 10.398 3.058 1.00 0.00 H new ATOM 0 HD11 ILE B 11 15.415 9.361 4.901 1.00 0.00 H new ATOM 0 HD12 ILE B 11 14.300 10.273 3.857 1.00 0.00 H new ATOM 0 HD13 ILE B 11 13.996 10.169 5.607 1.00 0.00 H new ATOM 1110 N LYS B 12 9.467 10.525 4.585 1.00 0.00 N ATOM 1111 CA LYS B 12 8.041 10.787 4.453 1.00 0.00 C ATOM 1112 C LYS B 12 7.510 10.250 3.136 1.00 0.00 C ATOM 1113 O LYS B 12 7.987 10.608 2.057 1.00 0.00 O ATOM 1114 CB LYS B 12 7.770 12.293 4.548 1.00 0.00 C ATOM 1115 CG LYS B 12 6.365 12.700 4.123 1.00 0.00 C ATOM 1116 CD LYS B 12 5.297 12.167 5.066 1.00 0.00 C ATOM 1117 CE LYS B 12 3.899 12.391 4.504 1.00 0.00 C ATOM 1118 NZ LYS B 12 3.647 13.819 4.169 1.00 0.00 N ATOM 0 H LYS B 12 10.063 11.183 4.083 1.00 0.00 H new ATOM 0 HA LYS B 12 7.526 10.276 5.266 1.00 0.00 H new ATOM 0 HB2 LYS B 12 7.935 12.617 5.576 1.00 0.00 H new ATOM 0 HB3 LYS B 12 8.493 12.821 3.927 1.00 0.00 H new ATOM 0 HG2 LYS B 12 6.301 13.787 4.083 1.00 0.00 H new ATOM 0 HG3 LYS B 12 6.172 12.332 3.115 1.00 0.00 H new ATOM 0 HD2 LYS B 12 5.457 11.102 5.235 1.00 0.00 H new ATOM 0 HD3 LYS B 12 5.385 12.660 6.034 1.00 0.00 H new ATOM 0 HE2 LYS B 12 3.767 11.782 3.610 1.00 0.00 H new ATOM 0 HE3 LYS B 12 3.159 12.055 5.231 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 2.642 13.949 3.936 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 3.893 14.416 4.985 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 4.230 14.092 3.352 1.00 0.00 H new ATOM 1132 N LEU B 13 6.521 9.381 3.245 1.00 0.00 N ATOM 1133 CA LEU B 13 5.891 8.775 2.092 1.00 0.00 C ATOM 1134 C LEU B 13 4.381 8.881 2.205 1.00 0.00 C ATOM 1135 O LEU B 13 3.802 8.599 3.256 1.00 0.00 O ATOM 1136 CB LEU B 13 6.308 7.305 1.960 1.00 0.00 C ATOM 1137 CG LEU B 13 6.100 6.445 3.213 1.00 0.00 C ATOM 1138 CD1 LEU B 13 5.936 4.981 2.837 1.00 0.00 C ATOM 1139 CD2 LEU B 13 7.272 6.609 4.174 1.00 0.00 C ATOM 0 H LEU B 13 6.133 9.077 4.138 1.00 0.00 H new ATOM 0 HA LEU B 13 6.218 9.309 1.200 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.749 6.859 1.138 1.00 0.00 H new ATOM 0 HB3 LEU B 13 7.362 7.268 1.686 1.00 0.00 H new ATOM 0 HG LEU B 13 5.190 6.782 3.709 1.00 0.00 H new ATOM 0 HD11 LEU B 13 5.790 4.388 3.740 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.071 4.868 2.184 1.00 0.00 H new ATOM 0 HD13 LEU B 13 6.830 4.636 2.317 1.00 0.00 H new ATOM 0 HD21 LEU B 13 7.107 5.992 5.057 1.00 0.00 H new ATOM 0 HD22 LEU B 13 8.193 6.299 3.681 1.00 0.00 H new ATOM 0 HD23 LEU B 13 7.355 7.654 4.472 1.00 0.00 H new ATOM 1151 N GLY B 14 3.748 9.319 1.134 1.00 0.00 N ATOM 1152 CA GLY B 14 2.310 9.393 1.113 1.00 0.00 C ATOM 1153 C GLY B 14 1.708 8.265 0.307 1.00 0.00 C ATOM 1154 O GLY B 14 2.018 8.107 -0.875 1.00 0.00 O ATOM 0 H GLY B 14 4.207 9.625 0.276 1.00 0.00 H new ATOM 0 HA2 GLY B 14 1.928 9.357 2.133 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.000 10.349 0.691 1.00 0.00 H new ATOM 1158 N VAL B 15 0.876 7.461 0.944 1.00 0.00 N ATOM 1159 CA VAL B 15 0.196 6.374 0.260 1.00 0.00 C ATOM 1160 C VAL B 15 -1.263 6.763 0.035 1.00 0.00 C ATOM 1161 O VAL B 15 -1.810 7.580 0.780 1.00 0.00 O ATOM 1162 CB VAL B 15 0.303 5.045 1.063 1.00 0.00 C ATOM 1163 CG1 VAL B 15 -0.347 3.890 0.318 1.00 0.00 C ATOM 1164 CG2 VAL B 15 1.759 4.725 1.366 1.00 0.00 C ATOM 0 H VAL B 15 0.654 7.540 1.936 1.00 0.00 H new ATOM 0 HA VAL B 15 0.677 6.203 -0.703 1.00 0.00 H new ATOM 0 HB VAL B 15 -0.233 5.180 2.002 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -0.254 2.978 0.908 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -1.402 4.110 0.155 1.00 0.00 H new ATOM 0 HG13 VAL B 15 0.148 3.753 -0.643 1.00 0.00 H new ATOM 0 HG21 VAL B 15 1.817 3.793 1.928 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.311 4.621 0.432 1.00 0.00 H new ATOM 0 HG23 VAL B 15 2.194 5.532 1.956 1.00 0.00 H new ATOM 1174 N TYR B 16 -1.872 6.229 -1.016 1.00 0.00 N ATOM 1175 CA TYR B 16 -3.264 6.521 -1.321 1.00 0.00 C ATOM 1176 C TYR B 16 -4.059 5.247 -1.509 1.00 0.00 C ATOM 1177 O TYR B 16 -3.841 4.505 -2.469 1.00 0.00 O ATOM 1178 CB TYR B 16 -3.384 7.380 -2.574 1.00 0.00 C ATOM 1179 CG TYR B 16 -3.346 8.856 -2.288 1.00 0.00 C ATOM 1180 CD1 TYR B 16 -4.416 9.469 -1.658 1.00 0.00 C ATOM 1181 CD2 TYR B 16 -2.254 9.634 -2.639 1.00 0.00 C ATOM 1182 CE1 TYR B 16 -4.405 10.816 -1.383 1.00 0.00 C ATOM 1183 CE2 TYR B 16 -2.233 10.988 -2.368 1.00 0.00 C ATOM 1184 CZ TYR B 16 -3.311 11.576 -1.739 1.00 0.00 C ATOM 1185 OH TYR B 16 -3.292 12.925 -1.466 1.00 0.00 O ATOM 0 H TYR B 16 -1.422 5.590 -1.672 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.670 7.072 -0.473 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.573 7.128 -3.258 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -4.317 7.139 -3.083 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.275 8.878 -1.377 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -1.409 9.176 -3.131 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -5.249 11.276 -0.891 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -1.377 11.584 -2.647 1.00 0.00 H new ATOM 0 HH TYR B 16 -2.448 13.311 -1.781 1.00 0.00 H new ATOM 1195 N ILE B 17 -4.991 4.999 -0.602 1.00 0.00 N ATOM 1196 CA ILE B 17 -5.788 3.783 -0.660 1.00 0.00 C ATOM 1197 C ILE B 17 -7.273 4.081 -0.458 1.00 0.00 C ATOM 1198 O ILE B 17 -7.636 5.099 0.142 1.00 0.00 O ATOM 1199 CB ILE B 17 -5.316 2.727 0.366 1.00 0.00 C ATOM 1200 CG1 ILE B 17 -5.539 3.199 1.804 1.00 0.00 C ATOM 1201 CG2 ILE B 17 -3.849 2.393 0.141 1.00 0.00 C ATOM 1202 CD1 ILE B 17 -5.098 2.182 2.834 1.00 0.00 C ATOM 0 H ILE B 17 -5.213 5.618 0.178 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.646 3.368 -1.658 1.00 0.00 H new ATOM 0 HB ILE B 17 -5.914 1.828 0.216 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -4.995 4.130 1.964 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -6.597 3.420 1.949 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -3.529 1.648 0.870 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.716 1.996 -0.865 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -3.248 3.295 0.257 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -5.281 2.574 3.834 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -5.661 1.258 2.698 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.034 1.980 2.713 1.00 0.00 H new ATOM 1214 N PRO B 18 -8.146 3.196 -0.974 1.00 0.00 N ATOM 1215 CA PRO B 18 -9.604 3.373 -0.936 1.00 0.00 C ATOM 1216 C PRO B 18 -10.175 3.458 0.478 1.00 0.00 C ATOM 1217 O PRO B 18 -9.576 2.987 1.455 1.00 0.00 O ATOM 1218 CB PRO B 18 -10.140 2.118 -1.637 1.00 0.00 C ATOM 1219 CG PRO B 18 -9.003 1.616 -2.450 1.00 0.00 C ATOM 1220 CD PRO B 18 -7.772 1.946 -1.661 1.00 0.00 C ATOM 0 HA PRO B 18 -9.891 4.313 -1.408 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -10.468 1.371 -0.914 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -11.000 2.353 -2.264 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -9.085 0.542 -2.619 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -8.981 2.092 -3.430 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.522 1.156 -0.953 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -6.904 2.083 -2.306 1.00 0.00 H new ATOM 1228 N GLN B 19 -11.359 4.055 0.571 1.00 0.00 N ATOM 1229 CA GLN B 19 -12.042 4.221 1.847 1.00 0.00 C ATOM 1230 C GLN B 19 -12.535 2.874 2.356 1.00 0.00 C ATOM 1231 O GLN B 19 -12.794 2.713 3.544 1.00 0.00 O ATOM 1232 CB GLN B 19 -13.213 5.198 1.705 1.00 0.00 C ATOM 1233 CG GLN B 19 -14.380 4.643 0.900 1.00 0.00 C ATOM 1234 CD GLN B 19 -15.598 4.319 1.758 1.00 0.00 C ATOM 1235 OE1 GLN B 19 -16.733 4.473 1.316 1.00 0.00 O ATOM 1236 NE2 GLN B 19 -15.378 3.847 2.976 1.00 0.00 N ATOM 0 H GLN B 19 -11.867 4.434 -0.228 1.00 0.00 H new ATOM 0 HA GLN B 19 -11.337 4.632 2.569 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -13.567 5.474 2.698 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -12.857 6.111 1.229 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -14.663 5.367 0.136 1.00 0.00 H new ATOM 0 HG3 GLN B 19 -14.059 3.740 0.380 1.00 0.00 H new ATOM 0 HE21 GLN B 19 -14.422 3.731 3.313 1.00 0.00 H new ATOM 0 HE22 GLN B 19 -16.164 3.600 3.577 1.00 0.00 H new ATOM 1245 N GLU B 20 -12.690 1.925 1.437 1.00 0.00 N ATOM 1246 CA GLU B 20 -12.999 0.538 1.790 1.00 0.00 C ATOM 1247 C GLU B 20 -12.025 0.036 2.855 1.00 0.00 C ATOM 1248 O GLU B 20 -12.419 -0.571 3.856 1.00 0.00 O ATOM 1249 CB GLU B 20 -12.899 -0.357 0.552 1.00 0.00 C ATOM 1250 CG GLU B 20 -13.612 0.198 -0.669 1.00 0.00 C ATOM 1251 CD GLU B 20 -15.100 0.374 -0.452 1.00 0.00 C ATOM 1252 OE1 GLU B 20 -15.507 1.440 0.049 1.00 0.00 O ATOM 1253 OE2 GLU B 20 -15.867 -0.550 -0.793 1.00 0.00 O ATOM 0 H GLU B 20 -12.606 2.091 0.434 1.00 0.00 H new ATOM 0 HA GLU B 20 -14.015 0.500 2.182 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -11.847 -0.508 0.309 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -13.315 -1.336 0.789 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -13.172 1.159 -0.935 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -13.450 -0.471 -1.514 1.00 0.00 H new ATOM 1260 N TRP B 21 -10.750 0.346 2.653 1.00 0.00 N ATOM 1261 CA TRP B 21 -9.713 -0.041 3.590 1.00 0.00 C ATOM 1262 C TRP B 21 -9.725 0.874 4.798 1.00 0.00 C ATOM 1263 O TRP B 21 -9.451 0.443 5.906 1.00 0.00 O ATOM 1264 CB TRP B 21 -8.342 0.022 2.927 1.00 0.00 C ATOM 1265 CG TRP B 21 -8.088 -1.091 1.965 1.00 0.00 C ATOM 1266 CD1 TRP B 21 -8.936 -2.098 1.626 1.00 0.00 C ATOM 1267 CD2 TRP B 21 -6.887 -1.309 1.236 1.00 0.00 C ATOM 1268 NE1 TRP B 21 -8.329 -2.939 0.722 1.00 0.00 N ATOM 1269 CE2 TRP B 21 -7.067 -2.471 0.465 1.00 0.00 C ATOM 1270 CE3 TRP B 21 -5.679 -0.630 1.159 1.00 0.00 C ATOM 1271 CZ2 TRP B 21 -6.069 -2.963 -0.371 1.00 0.00 C ATOM 1272 CZ3 TRP B 21 -4.695 -1.115 0.338 1.00 0.00 C ATOM 1273 CH2 TRP B 21 -4.890 -2.269 -0.418 1.00 0.00 C ATOM 0 H TRP B 21 -10.413 0.867 1.843 1.00 0.00 H new ATOM 0 HA TRP B 21 -9.911 -1.064 3.909 1.00 0.00 H new ATOM 0 HB2 TRP B 21 -8.245 0.973 2.403 1.00 0.00 H new ATOM 0 HB3 TRP B 21 -7.574 0.005 3.700 1.00 0.00 H new ATOM 0 HD1 TRP B 21 -9.938 -2.220 2.010 1.00 0.00 H new ATOM 0 HE1 TRP B 21 -8.749 -3.773 0.311 1.00 0.00 H new ATOM 0 HE3 TRP B 21 -5.517 0.267 1.738 1.00 0.00 H new ATOM 0 HZ2 TRP B 21 -6.219 -3.856 -0.959 1.00 0.00 H new ATOM 0 HZ3 TRP B 21 -3.751 -0.593 0.276 1.00 0.00 H new ATOM 0 HH2 TRP B 21 -4.093 -2.624 -1.055 1.00 0.00 H new ATOM 1284 N HIS B 22 -10.059 2.135 4.590 1.00 0.00 N ATOM 1285 CA HIS B 22 -10.164 3.064 5.707 1.00 0.00 C ATOM 1286 C HIS B 22 -11.229 2.596 6.694 1.00 0.00 C ATOM 1287 O HIS B 22 -11.052 2.700 7.901 1.00 0.00 O ATOM 1288 CB HIS B 22 -10.461 4.482 5.220 1.00 0.00 C ATOM 1289 CG HIS B 22 -9.243 5.213 4.743 1.00 0.00 C ATOM 1290 ND1 HIS B 22 -8.657 6.233 5.455 1.00 0.00 N ATOM 1291 CD2 HIS B 22 -8.491 5.059 3.626 1.00 0.00 C ATOM 1292 CE1 HIS B 22 -7.603 6.679 4.804 1.00 0.00 C ATOM 1293 NE2 HIS B 22 -7.476 5.980 3.689 1.00 0.00 N ATOM 0 H HIS B 22 -10.260 2.537 3.674 1.00 0.00 H new ATOM 0 HA HIS B 22 -9.203 3.084 6.221 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -11.189 4.435 4.410 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -10.922 5.048 6.030 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -8.659 4.344 2.834 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -6.953 7.479 5.126 1.00 0.00 H new ATOM 0 HE2 HIS B 22 -6.744 6.105 2.990 1.00 0.00 H new ATOM 1302 N ASP B 23 -12.323 2.060 6.175 1.00 0.00 N ATOM 1303 CA ASP B 23 -13.383 1.505 7.010 1.00 0.00 C ATOM 1304 C ASP B 23 -12.854 0.357 7.868 1.00 0.00 C ATOM 1305 O ASP B 23 -12.828 0.441 9.101 1.00 0.00 O ATOM 1306 CB ASP B 23 -14.541 1.007 6.136 1.00 0.00 C ATOM 1307 CG ASP B 23 -15.694 0.435 6.944 1.00 0.00 C ATOM 1308 OD1 ASP B 23 -15.583 -0.708 7.434 1.00 0.00 O ATOM 1309 OD2 ASP B 23 -16.734 1.115 7.068 1.00 0.00 O ATOM 0 H ASP B 23 -12.503 1.996 5.173 1.00 0.00 H new ATOM 0 HA ASP B 23 -13.744 2.295 7.669 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.907 1.831 5.524 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -14.170 0.243 5.452 1.00 0.00 H new ATOM 1314 N ARG B 24 -12.371 -0.690 7.204 1.00 0.00 N ATOM 1315 CA ARG B 24 -12.021 -1.926 7.895 1.00 0.00 C ATOM 1316 C ARG B 24 -10.749 -1.751 8.714 1.00 0.00 C ATOM 1317 O ARG B 24 -10.714 -2.053 9.907 1.00 0.00 O ATOM 1318 CB ARG B 24 -11.789 -3.065 6.896 1.00 0.00 C ATOM 1319 CG ARG B 24 -12.772 -3.122 5.739 1.00 0.00 C ATOM 1320 CD ARG B 24 -14.209 -3.283 6.200 1.00 0.00 C ATOM 1321 NE ARG B 24 -15.074 -3.640 5.075 1.00 0.00 N ATOM 1322 CZ ARG B 24 -16.258 -3.087 4.800 1.00 0.00 C ATOM 1323 NH1 ARG B 24 -16.793 -2.158 5.587 1.00 0.00 N ATOM 1324 NH2 ARG B 24 -16.910 -3.470 3.714 1.00 0.00 N ATOM 0 H ARG B 24 -12.214 -0.707 6.196 1.00 0.00 H new ATOM 0 HA ARG B 24 -12.856 -2.171 8.552 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -10.781 -2.972 6.491 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -11.830 -4.012 7.434 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -12.684 -2.211 5.148 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -12.509 -3.953 5.085 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -14.266 -4.054 6.968 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -14.557 -2.355 6.653 1.00 0.00 H new ATOM 0 HE ARG B 24 -14.745 -4.374 4.448 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -16.297 -1.852 6.424 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -17.699 -1.752 5.354 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -16.507 -4.178 3.101 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -17.815 -3.057 3.490 1.00 0.00 H new ATOM 1338 N LEU B 25 -9.715 -1.244 8.059 1.00 0.00 N ATOM 1339 CA LEU B 25 -8.394 -1.152 8.658 1.00 0.00 C ATOM 1340 C LEU B 25 -8.384 -0.187 9.831 1.00 0.00 C ATOM 1341 O LEU B 25 -7.819 -0.497 10.872 1.00 0.00 O ATOM 1342 CB LEU B 25 -7.344 -0.730 7.618 1.00 0.00 C ATOM 1343 CG LEU B 25 -6.840 -1.839 6.676 1.00 0.00 C ATOM 1344 CD1 LEU B 25 -6.097 -2.908 7.463 1.00 0.00 C ATOM 1345 CD2 LEU B 25 -7.981 -2.472 5.888 1.00 0.00 C ATOM 0 H LEU B 25 -9.768 -0.888 7.105 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.137 -2.144 9.029 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.765 0.071 7.011 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -6.487 -0.312 8.146 1.00 0.00 H new ATOM 0 HG LEU B 25 -6.157 -1.376 5.964 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -5.748 -3.684 6.782 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -5.243 -2.459 7.970 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -6.767 -3.348 8.201 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -7.585 -3.250 5.235 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -8.701 -2.911 6.579 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -8.474 -1.709 5.286 1.00 0.00 H new ATOM 1357 N MET B 26 -9.004 0.980 9.674 1.00 0.00 N ATOM 1358 CA MET B 26 -9.016 1.964 10.748 1.00 0.00 C ATOM 1359 C MET B 26 -9.824 1.488 11.951 1.00 0.00 C ATOM 1360 O MET B 26 -9.518 1.854 13.081 1.00 0.00 O ATOM 1361 CB MET B 26 -9.519 3.321 10.265 1.00 0.00 C ATOM 1362 CG MET B 26 -8.569 4.000 9.291 1.00 0.00 C ATOM 1363 SD MET B 26 -6.975 4.408 10.034 1.00 0.00 S ATOM 1364 CE MET B 26 -7.482 5.483 11.376 1.00 0.00 C ATOM 0 H MET B 26 -9.497 1.263 8.827 1.00 0.00 H new ATOM 0 HA MET B 26 -7.982 2.083 11.070 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.489 3.192 9.786 1.00 0.00 H new ATOM 0 HB3 MET B 26 -9.673 3.972 11.126 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.408 3.347 8.433 1.00 0.00 H new ATOM 0 HG3 MET B 26 -9.033 4.912 8.915 1.00 0.00 H new ATOM 0 HE1 MET B 26 -6.639 6.100 11.686 1.00 0.00 H new ATOM 0 HE2 MET B 26 -8.297 6.124 11.040 1.00 0.00 H new ATOM 0 HE3 MET B 26 -7.819 4.879 12.219 1.00 0.00 H new ATOM 1374 N GLU B 27 -10.851 0.675 11.726 1.00 0.00 N ATOM 1375 CA GLU B 27 -11.606 0.125 12.845 1.00 0.00 C ATOM 1376 C GLU B 27 -10.716 -0.825 13.651 1.00 0.00 C ATOM 1377 O GLU B 27 -10.737 -0.840 14.892 1.00 0.00 O ATOM 1378 CB GLU B 27 -12.859 -0.595 12.354 1.00 0.00 C ATOM 1379 CG GLU B 27 -13.987 -0.592 13.373 1.00 0.00 C ATOM 1380 CD GLU B 27 -14.474 0.811 13.687 1.00 0.00 C ATOM 1381 OE1 GLU B 27 -13.915 1.454 14.599 1.00 0.00 O ATOM 1382 OE2 GLU B 27 -15.416 1.283 13.017 1.00 0.00 O ATOM 0 H GLU B 27 -11.174 0.388 10.802 1.00 0.00 H new ATOM 0 HA GLU B 27 -11.925 0.944 13.490 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -13.206 -0.122 11.435 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -12.605 -1.625 12.105 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -14.818 -1.187 12.994 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -13.646 -1.070 14.291 1.00 0.00 H new ATOM 1389 N ILE B 28 -9.910 -1.600 12.938 1.00 0.00 N ATOM 1390 CA ILE B 28 -8.914 -2.449 13.576 1.00 0.00 C ATOM 1391 C ILE B 28 -7.866 -1.569 14.247 1.00 0.00 C ATOM 1392 O ILE B 28 -7.349 -1.883 15.319 1.00 0.00 O ATOM 1393 CB ILE B 28 -8.232 -3.389 12.555 1.00 0.00 C ATOM 1394 CG1 ILE B 28 -9.281 -4.255 11.852 1.00 0.00 C ATOM 1395 CG2 ILE B 28 -7.190 -4.263 13.242 1.00 0.00 C ATOM 1396 CD1 ILE B 28 -8.714 -5.130 10.751 1.00 0.00 C ATOM 0 H ILE B 28 -9.926 -1.658 11.920 1.00 0.00 H new ATOM 0 HA ILE B 28 -9.415 -3.072 14.317 1.00 0.00 H new ATOM 0 HB ILE B 28 -7.725 -2.780 11.807 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -9.770 -4.889 12.592 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -10.049 -3.607 11.429 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -6.722 -4.917 12.507 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -6.430 -3.631 13.701 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -7.672 -4.867 14.011 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -9.517 -5.714 10.300 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -8.250 -4.502 9.990 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -7.967 -5.804 11.170 1.00 0.00 H new ATOM 1408 N ALA B 29 -7.583 -0.446 13.598 1.00 0.00 N ATOM 1409 CA ALA B 29 -6.640 0.543 14.098 1.00 0.00 C ATOM 1410 C ALA B 29 -7.130 1.184 15.397 1.00 0.00 C ATOM 1411 O ALA B 29 -6.351 1.794 16.123 1.00 0.00 O ATOM 1412 CB ALA B 29 -6.384 1.601 13.038 1.00 0.00 C ATOM 0 H ALA B 29 -8.005 -0.196 12.704 1.00 0.00 H new ATOM 0 HA ALA B 29 -5.703 0.033 14.323 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -5.677 2.337 13.422 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -5.970 1.130 12.147 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -7.321 2.096 12.784 1.00 0.00 H new ATOM 1418 N LYS B 30 -8.418 1.038 15.696 1.00 0.00 N ATOM 1419 CA LYS B 30 -8.943 1.503 16.975 1.00 0.00 C ATOM 1420 C LYS B 30 -8.572 0.489 18.034 1.00 0.00 C ATOM 1421 O LYS B 30 -8.003 0.820 19.072 1.00 0.00 O ATOM 1422 CB LYS B 30 -10.470 1.619 16.961 1.00 0.00 C ATOM 1423 CG LYS B 30 -11.062 2.199 15.692 1.00 0.00 C ATOM 1424 CD LYS B 30 -10.785 3.681 15.538 1.00 0.00 C ATOM 1425 CE LYS B 30 -11.507 4.231 14.321 1.00 0.00 C ATOM 1426 NZ LYS B 30 -12.972 3.993 14.401 1.00 0.00 N ATOM 0 H LYS B 30 -9.108 0.608 15.080 1.00 0.00 H new ATOM 0 HA LYS B 30 -8.521 2.488 17.175 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -10.895 0.628 17.121 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -10.779 2.238 17.803 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -10.657 1.667 14.831 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -12.139 2.033 15.691 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -11.110 4.213 16.432 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -9.713 3.849 15.439 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -11.316 5.301 14.236 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -11.110 3.764 13.420 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -13.462 4.613 13.725 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -13.175 3.000 14.170 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -13.305 4.199 15.364 1.00 0.00 H new ATOM 1440 N GLU B 31 -8.884 -0.763 17.729 1.00 0.00 N ATOM 1441 CA GLU B 31 -8.605 -1.872 18.629 1.00 0.00 C ATOM 1442 C GLU B 31 -7.107 -1.979 18.916 1.00 0.00 C ATOM 1443 O GLU B 31 -6.701 -2.266 20.040 1.00 0.00 O ATOM 1444 CB GLU B 31 -9.115 -3.177 18.017 1.00 0.00 C ATOM 1445 CG GLU B 31 -9.012 -4.370 18.948 1.00 0.00 C ATOM 1446 CD GLU B 31 -9.430 -5.656 18.278 1.00 0.00 C ATOM 1447 OE1 GLU B 31 -10.644 -5.903 18.162 1.00 0.00 O ATOM 1448 OE2 GLU B 31 -8.540 -6.426 17.861 1.00 0.00 O ATOM 0 H GLU B 31 -9.335 -1.037 16.856 1.00 0.00 H new ATOM 0 HA GLU B 31 -9.121 -1.689 19.572 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -10.156 -3.047 17.722 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -8.550 -3.387 17.109 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -7.985 -4.464 19.302 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -9.637 -4.199 19.824 1.00 0.00 H new ATOM 1455 N LYS B 32 -6.293 -1.726 17.897 1.00 0.00 N ATOM 1456 CA LYS B 32 -4.841 -1.842 18.017 1.00 0.00 C ATOM 1457 C LYS B 32 -4.198 -0.512 18.423 1.00 0.00 C ATOM 1458 O LYS B 32 -3.042 -0.473 18.845 1.00 0.00 O ATOM 1459 CB LYS B 32 -4.242 -2.322 16.691 1.00 0.00 C ATOM 1460 CG LYS B 32 -4.014 -3.828 16.594 1.00 0.00 C ATOM 1461 CD LYS B 32 -5.264 -4.638 16.916 1.00 0.00 C ATOM 1462 CE LYS B 32 -5.065 -6.108 16.572 1.00 0.00 C ATOM 1463 NZ LYS B 32 -6.080 -6.985 17.217 1.00 0.00 N ATOM 0 H LYS B 32 -6.615 -1.438 16.973 1.00 0.00 H new ATOM 0 HA LYS B 32 -4.631 -2.570 18.801 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -4.903 -2.017 15.880 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -3.290 -1.815 16.535 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -3.676 -4.075 15.588 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -3.215 -4.114 17.278 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -5.504 -4.538 17.975 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -6.112 -4.242 16.358 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -5.114 -6.235 15.491 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -4.068 -6.420 16.885 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -6.151 -7.879 16.690 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -5.795 -7.183 18.198 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -7.004 -6.507 17.214 1.00 0.00 H new ATOM 1477 N ASN B 33 -4.978 0.564 18.303 1.00 0.00 N ATOM 1478 CA ASN B 33 -4.526 1.925 18.610 1.00 0.00 C ATOM 1479 C ASN B 33 -3.358 2.323 17.701 1.00 0.00 C ATOM 1480 O ASN B 33 -2.295 2.740 18.156 1.00 0.00 O ATOM 1481 CB ASN B 33 -4.149 2.055 20.094 1.00 0.00 C ATOM 1482 CG ASN B 33 -4.046 3.500 20.551 1.00 0.00 C ATOM 1483 OD1 ASN B 33 -2.960 4.078 20.604 1.00 0.00 O ATOM 1484 ND2 ASN B 33 -5.183 4.094 20.881 1.00 0.00 N ATOM 0 H ASN B 33 -5.947 0.517 17.988 1.00 0.00 H new ATOM 0 HA ASN B 33 -5.350 2.613 18.418 1.00 0.00 H new ATOM 0 HB2 ASN B 33 -4.894 1.539 20.700 1.00 0.00 H new ATOM 0 HB3 ASN B 33 -3.196 1.555 20.267 1.00 0.00 H new ATOM 0 HD21 ASN B 33 -5.179 5.065 21.193 1.00 0.00 H new ATOM 0 HD22 ASN B 33 -6.062 3.580 20.823 1.00 0.00 H new ATOM 1491 N LEU B 34 -3.593 2.196 16.404 1.00 0.00 N ATOM 1492 CA LEU B 34 -2.586 2.457 15.382 1.00 0.00 C ATOM 1493 C LEU B 34 -3.200 3.279 14.257 1.00 0.00 C ATOM 1494 O LEU B 34 -4.411 3.480 14.225 1.00 0.00 O ATOM 1495 CB LEU B 34 -2.042 1.140 14.816 1.00 0.00 C ATOM 1496 CG LEU B 34 -1.284 0.258 15.810 1.00 0.00 C ATOM 1497 CD1 LEU B 34 -0.894 -1.064 15.163 1.00 0.00 C ATOM 1498 CD2 LEU B 34 -0.051 0.982 16.326 1.00 0.00 C ATOM 0 H LEU B 34 -4.495 1.907 16.026 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.764 3.011 15.835 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.876 0.567 14.411 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.379 1.370 13.982 1.00 0.00 H new ATOM 0 HG LEU B 34 -1.940 0.046 16.654 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -0.356 -1.678 15.885 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -1.792 -1.589 14.838 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -0.254 -0.873 14.301 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.478 0.342 17.032 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.607 1.221 15.490 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.352 1.903 16.826 1.00 0.00 H new ATOM 1510 N THR B 35 -2.369 3.792 13.363 1.00 0.00 N ATOM 1511 CA THR B 35 -2.876 4.431 12.161 1.00 0.00 C ATOM 1512 C THR B 35 -2.686 3.491 10.978 1.00 0.00 C ATOM 1513 O THR B 35 -1.833 2.603 11.025 1.00 0.00 O ATOM 1514 CB THR B 35 -2.174 5.778 11.867 1.00 0.00 C ATOM 1515 OG1 THR B 35 -0.779 5.576 11.602 1.00 0.00 O ATOM 1516 CG2 THR B 35 -2.333 6.745 13.031 1.00 0.00 C ATOM 0 H THR B 35 -1.352 3.779 13.446 1.00 0.00 H new ATOM 0 HA THR B 35 -3.933 4.644 12.320 1.00 0.00 H new ATOM 0 HB THR B 35 -2.648 6.208 10.985 1.00 0.00 H new ATOM 0 HG1 THR B 35 -0.322 5.323 12.431 1.00 0.00 H new ATOM 0 HG21 THR B 35 -1.830 7.683 12.796 1.00 0.00 H new ATOM 0 HG22 THR B 35 -3.392 6.935 13.204 1.00 0.00 H new ATOM 0 HG23 THR B 35 -1.891 6.311 13.928 1.00 0.00 H new ATOM 1524 N LEU B 36 -3.483 3.661 9.935 1.00 0.00 N ATOM 1525 CA LEU B 36 -3.365 2.821 8.748 1.00 0.00 C ATOM 1526 C LEU B 36 -1.980 2.962 8.127 1.00 0.00 C ATOM 1527 O LEU B 36 -1.466 2.032 7.509 1.00 0.00 O ATOM 1528 CB LEU B 36 -4.452 3.158 7.722 1.00 0.00 C ATOM 1529 CG LEU B 36 -4.280 4.474 6.957 1.00 0.00 C ATOM 1530 CD1 LEU B 36 -5.216 4.503 5.766 1.00 0.00 C ATOM 1531 CD2 LEU B 36 -4.541 5.680 7.852 1.00 0.00 C ATOM 0 H LEU B 36 -4.216 4.369 9.883 1.00 0.00 H new ATOM 0 HA LEU B 36 -3.503 1.784 9.055 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.502 2.345 6.997 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -5.412 3.185 8.237 1.00 0.00 H new ATOM 0 HG LEU B 36 -3.247 4.530 6.613 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -5.089 5.441 5.226 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.987 3.669 5.103 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.247 4.420 6.111 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -4.410 6.596 7.276 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -5.561 5.635 8.235 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -3.840 5.673 8.686 1.00 0.00 H new ATOM 1543 N SER B 37 -1.383 4.131 8.308 1.00 0.00 N ATOM 1544 CA SER B 37 -0.014 4.377 7.888 1.00 0.00 C ATOM 1545 C SER B 37 0.932 3.370 8.547 1.00 0.00 C ATOM 1546 O SER B 37 1.826 2.820 7.900 1.00 0.00 O ATOM 1547 CB SER B 37 0.372 5.805 8.262 1.00 0.00 C ATOM 1548 OG SER B 37 -0.634 6.715 7.848 1.00 0.00 O ATOM 0 H SER B 37 -1.834 4.933 8.749 1.00 0.00 H new ATOM 0 HA SER B 37 0.066 4.255 6.808 1.00 0.00 H new ATOM 0 HB2 SER B 37 0.516 5.879 9.340 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.322 6.066 7.795 1.00 0.00 H new ATOM 0 HG SER B 37 -0.373 7.626 8.096 1.00 0.00 H new ATOM 1554 N ASP B 38 0.702 3.112 9.835 1.00 0.00 N ATOM 1555 CA ASP B 38 1.476 2.117 10.572 1.00 0.00 C ATOM 1556 C ASP B 38 1.215 0.737 9.997 1.00 0.00 C ATOM 1557 O ASP B 38 2.141 -0.019 9.728 1.00 0.00 O ATOM 1558 CB ASP B 38 1.103 2.093 12.063 1.00 0.00 C ATOM 1559 CG ASP B 38 1.449 3.366 12.804 1.00 0.00 C ATOM 1560 OD1 ASP B 38 2.652 3.638 13.000 1.00 0.00 O ATOM 1561 OD2 ASP B 38 0.516 4.080 13.231 1.00 0.00 O ATOM 0 H ASP B 38 -0.016 3.580 10.389 1.00 0.00 H new ATOM 0 HA ASP B 38 2.527 2.388 10.476 1.00 0.00 H new ATOM 0 HB2 ASP B 38 0.033 1.910 12.156 1.00 0.00 H new ATOM 0 HB3 ASP B 38 1.612 1.256 12.541 1.00 0.00 H new ATOM 1566 N VAL B 39 -0.060 0.435 9.790 1.00 0.00 N ATOM 1567 CA VAL B 39 -0.482 -0.889 9.343 1.00 0.00 C ATOM 1568 C VAL B 39 0.070 -1.210 7.954 1.00 0.00 C ATOM 1569 O VAL B 39 0.478 -2.338 7.693 1.00 0.00 O ATOM 1570 CB VAL B 39 -2.024 -1.006 9.320 1.00 0.00 C ATOM 1571 CG1 VAL B 39 -2.456 -2.417 8.945 1.00 0.00 C ATOM 1572 CG2 VAL B 39 -2.613 -0.605 10.669 1.00 0.00 C ATOM 0 H VAL B 39 -0.827 1.094 9.925 1.00 0.00 H new ATOM 0 HA VAL B 39 -0.081 -1.608 10.057 1.00 0.00 H new ATOM 0 HB VAL B 39 -2.404 -0.322 8.561 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -3.544 -2.474 8.936 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -2.071 -2.664 7.956 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -2.062 -3.124 9.675 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -3.699 -0.694 10.633 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -2.221 -1.261 11.447 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -2.341 0.426 10.893 1.00 0.00 H new ATOM 1582 N CYS B 40 0.101 -0.212 7.078 1.00 0.00 N ATOM 1583 CA CYS B 40 0.596 -0.398 5.719 1.00 0.00 C ATOM 1584 C CYS B 40 2.090 -0.769 5.762 1.00 0.00 C ATOM 1585 O CYS B 40 2.523 -1.761 5.172 1.00 0.00 O ATOM 1586 CB CYS B 40 0.352 0.887 4.903 1.00 0.00 C ATOM 1587 SG CYS B 40 -0.021 0.623 3.162 1.00 0.00 S ATOM 0 H CYS B 40 -0.212 0.736 7.285 1.00 0.00 H new ATOM 0 HA CYS B 40 0.061 -1.213 5.232 1.00 0.00 H new ATOM 0 HB2 CYS B 40 -0.473 1.436 5.357 1.00 0.00 H new ATOM 0 HB3 CYS B 40 1.236 1.520 4.978 1.00 0.00 H new ATOM 0 HG CYS B 40 0.082 -0.643 2.883 1.00 0.00 H new ATOM 1593 N ARG B 41 2.858 0.044 6.478 1.00 0.00 N ATOM 1594 CA ARG B 41 4.261 -0.223 6.789 1.00 0.00 C ATOM 1595 C ARG B 41 4.454 -1.604 7.435 1.00 0.00 C ATOM 1596 O ARG B 41 5.295 -2.395 7.000 1.00 0.00 O ATOM 1597 CB ARG B 41 4.744 0.904 7.723 1.00 0.00 C ATOM 1598 CG ARG B 41 6.159 0.771 8.271 1.00 0.00 C ATOM 1599 CD ARG B 41 6.206 -0.053 9.548 1.00 0.00 C ATOM 1600 NE ARG B 41 7.425 0.201 10.311 1.00 0.00 N ATOM 1601 CZ ARG B 41 8.205 -0.747 10.825 1.00 0.00 C ATOM 1602 NH1 ARG B 41 7.925 -2.028 10.604 1.00 0.00 N ATOM 1603 NH2 ARG B 41 9.266 -0.411 11.550 1.00 0.00 N ATOM 0 H ARG B 41 2.519 0.924 6.867 1.00 0.00 H new ATOM 0 HA ARG B 41 4.849 -0.240 5.871 1.00 0.00 H new ATOM 0 HB2 ARG B 41 4.674 1.848 7.183 1.00 0.00 H new ATOM 0 HB3 ARG B 41 4.056 0.967 8.566 1.00 0.00 H new ATOM 0 HG2 ARG B 41 6.796 0.307 7.518 1.00 0.00 H new ATOM 0 HG3 ARG B 41 6.566 1.763 8.466 1.00 0.00 H new ATOM 0 HD2 ARG B 41 5.337 0.180 10.163 1.00 0.00 H new ATOM 0 HD3 ARG B 41 6.146 -1.113 9.300 1.00 0.00 H new ATOM 0 HE ARG B 41 7.698 1.172 10.460 1.00 0.00 H new ATOM 0 HH11 ARG B 41 7.113 -2.283 10.041 1.00 0.00 H new ATOM 0 HH12 ARG B 41 8.522 -2.756 10.997 1.00 0.00 H new ATOM 0 HH21 ARG B 41 9.482 0.573 11.712 1.00 0.00 H new ATOM 0 HH22 ARG B 41 9.865 -1.137 11.945 1.00 0.00 H new ATOM 1617 N LEU B 42 3.664 -1.910 8.452 1.00 0.00 N ATOM 1618 CA LEU B 42 3.802 -3.176 9.169 1.00 0.00 C ATOM 1619 C LEU B 42 3.490 -4.344 8.248 1.00 0.00 C ATOM 1620 O LEU B 42 4.076 -5.422 8.363 1.00 0.00 O ATOM 1621 CB LEU B 42 2.870 -3.216 10.386 1.00 0.00 C ATOM 1622 CG LEU B 42 3.158 -2.170 11.462 1.00 0.00 C ATOM 1623 CD1 LEU B 42 2.115 -2.242 12.567 1.00 0.00 C ATOM 1624 CD2 LEU B 42 4.555 -2.359 12.035 1.00 0.00 C ATOM 0 H LEU B 42 2.922 -1.304 8.802 1.00 0.00 H new ATOM 0 HA LEU B 42 4.833 -3.257 9.513 1.00 0.00 H new ATOM 0 HB2 LEU B 42 1.844 -3.087 10.042 1.00 0.00 H new ATOM 0 HB3 LEU B 42 2.932 -4.206 10.838 1.00 0.00 H new ATOM 0 HG LEU B 42 3.107 -1.183 11.002 1.00 0.00 H new ATOM 0 HD11 LEU B 42 2.335 -1.490 13.325 1.00 0.00 H new ATOM 0 HD12 LEU B 42 1.127 -2.055 12.147 1.00 0.00 H new ATOM 0 HD13 LEU B 42 2.135 -3.232 13.022 1.00 0.00 H new ATOM 0 HD21 LEU B 42 4.740 -1.604 12.799 1.00 0.00 H new ATOM 0 HD22 LEU B 42 4.635 -3.352 12.478 1.00 0.00 H new ATOM 0 HD23 LEU B 42 5.292 -2.257 11.238 1.00 0.00 H new ATOM 1636 N ALA B 43 2.586 -4.109 7.314 1.00 0.00 N ATOM 1637 CA ALA B 43 2.203 -5.125 6.362 1.00 0.00 C ATOM 1638 C ALA B 43 3.293 -5.353 5.330 1.00 0.00 C ATOM 1639 O ALA B 43 3.347 -6.409 4.720 1.00 0.00 O ATOM 1640 CB ALA B 43 0.904 -4.755 5.685 1.00 0.00 C ATOM 0 H ALA B 43 2.104 -3.218 7.198 1.00 0.00 H new ATOM 0 HA ALA B 43 2.059 -6.057 6.909 1.00 0.00 H new ATOM 0 HB1 ALA B 43 0.631 -5.532 4.971 1.00 0.00 H new ATOM 0 HB2 ALA B 43 0.118 -4.658 6.434 1.00 0.00 H new ATOM 0 HB3 ALA B 43 1.024 -3.807 5.161 1.00 0.00 H new ATOM 1646 N ILE B 44 4.157 -4.360 5.121 1.00 0.00 N ATOM 1647 CA ILE B 44 5.290 -4.538 4.219 1.00 0.00 C ATOM 1648 C ILE B 44 6.266 -5.521 4.831 1.00 0.00 C ATOM 1649 O ILE B 44 6.771 -6.412 4.157 1.00 0.00 O ATOM 1650 CB ILE B 44 6.036 -3.223 3.906 1.00 0.00 C ATOM 1651 CG1 ILE B 44 5.123 -2.235 3.183 1.00 0.00 C ATOM 1652 CG2 ILE B 44 7.281 -3.502 3.072 1.00 0.00 C ATOM 1653 CD1 ILE B 44 5.835 -0.967 2.747 1.00 0.00 C ATOM 0 H ILE B 44 4.095 -3.440 5.556 1.00 0.00 H new ATOM 0 HA ILE B 44 4.887 -4.911 3.278 1.00 0.00 H new ATOM 0 HB ILE B 44 6.341 -2.775 4.851 1.00 0.00 H new ATOM 0 HG12 ILE B 44 4.694 -2.722 2.307 1.00 0.00 H new ATOM 0 HG13 ILE B 44 4.294 -1.970 3.839 1.00 0.00 H new ATOM 0 HG21 ILE B 44 7.795 -2.564 2.860 1.00 0.00 H new ATOM 0 HG22 ILE B 44 7.948 -4.165 3.624 1.00 0.00 H new ATOM 0 HG23 ILE B 44 6.992 -3.977 2.134 1.00 0.00 H new ATOM 0 HD11 ILE B 44 5.129 -0.309 2.240 1.00 0.00 H new ATOM 0 HD12 ILE B 44 6.241 -0.459 3.622 1.00 0.00 H new ATOM 0 HD13 ILE B 44 6.647 -1.222 2.066 1.00 0.00 H new ATOM 1665 N LYS B 45 6.528 -5.357 6.122 1.00 0.00 N ATOM 1666 CA LYS B 45 7.398 -6.281 6.830 1.00 0.00 C ATOM 1667 C LYS B 45 6.821 -7.700 6.772 1.00 0.00 C ATOM 1668 O LYS B 45 7.559 -8.683 6.696 1.00 0.00 O ATOM 1669 CB LYS B 45 7.603 -5.832 8.278 1.00 0.00 C ATOM 1670 CG LYS B 45 8.747 -6.552 8.979 1.00 0.00 C ATOM 1671 CD LYS B 45 10.067 -6.357 8.241 1.00 0.00 C ATOM 1672 CE LYS B 45 11.223 -7.021 8.974 1.00 0.00 C ATOM 1673 NZ LYS B 45 12.496 -6.921 8.211 1.00 0.00 N ATOM 0 H LYS B 45 6.153 -4.600 6.693 1.00 0.00 H new ATOM 0 HA LYS B 45 8.372 -6.285 6.342 1.00 0.00 H new ATOM 0 HB2 LYS B 45 7.795 -4.759 8.294 1.00 0.00 H new ATOM 0 HB3 LYS B 45 6.682 -6.000 8.836 1.00 0.00 H new ATOM 0 HG2 LYS B 45 8.841 -6.180 9.999 1.00 0.00 H new ATOM 0 HG3 LYS B 45 8.521 -7.616 9.047 1.00 0.00 H new ATOM 0 HD2 LYS B 45 9.987 -6.771 7.236 1.00 0.00 H new ATOM 0 HD3 LYS B 45 10.269 -5.292 8.131 1.00 0.00 H new ATOM 0 HE2 LYS B 45 11.348 -6.555 9.951 1.00 0.00 H new ATOM 0 HE3 LYS B 45 10.987 -8.071 9.149 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 13.258 -7.386 8.745 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 12.385 -7.388 7.288 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 12.736 -5.920 8.066 1.00 0.00 H new ATOM 1687 N GLU B 46 5.494 -7.785 6.781 1.00 0.00 N ATOM 1688 CA GLU B 46 4.794 -9.054 6.641 1.00 0.00 C ATOM 1689 C GLU B 46 4.953 -9.561 5.212 1.00 0.00 C ATOM 1690 O GLU B 46 5.260 -10.727 4.975 1.00 0.00 O ATOM 1691 CB GLU B 46 3.307 -8.860 6.971 1.00 0.00 C ATOM 1692 CG GLU B 46 2.474 -10.134 6.932 1.00 0.00 C ATOM 1693 CD GLU B 46 2.713 -11.033 8.129 1.00 0.00 C ATOM 1694 OE1 GLU B 46 2.220 -10.703 9.230 1.00 0.00 O ATOM 1695 OE2 GLU B 46 3.382 -12.074 7.978 1.00 0.00 O ATOM 0 H GLU B 46 4.878 -6.979 6.885 1.00 0.00 H new ATOM 0 HA GLU B 46 5.216 -9.786 7.330 1.00 0.00 H new ATOM 0 HB2 GLU B 46 3.224 -8.418 7.964 1.00 0.00 H new ATOM 0 HB3 GLU B 46 2.883 -8.144 6.267 1.00 0.00 H new ATOM 0 HG2 GLU B 46 1.417 -9.870 6.888 1.00 0.00 H new ATOM 0 HG3 GLU B 46 2.703 -10.684 6.019 1.00 0.00 H new ATOM 1702 N TYR B 47 4.784 -8.646 4.266 1.00 0.00 N ATOM 1703 CA TYR B 47 4.850 -8.959 2.850 1.00 0.00 C ATOM 1704 C TYR B 47 6.227 -9.508 2.494 1.00 0.00 C ATOM 1705 O TYR B 47 6.352 -10.456 1.722 1.00 0.00 O ATOM 1706 CB TYR B 47 4.551 -7.695 2.033 1.00 0.00 C ATOM 1707 CG TYR B 47 4.446 -7.919 0.541 1.00 0.00 C ATOM 1708 CD1 TYR B 47 3.247 -8.320 -0.034 1.00 0.00 C ATOM 1709 CD2 TYR B 47 5.538 -7.713 -0.291 1.00 0.00 C ATOM 1710 CE1 TYR B 47 3.142 -8.513 -1.398 1.00 0.00 C ATOM 1711 CE2 TYR B 47 5.441 -7.903 -1.654 1.00 0.00 C ATOM 1712 CZ TYR B 47 4.241 -8.304 -2.203 1.00 0.00 C ATOM 1713 OH TYR B 47 4.139 -8.494 -3.562 1.00 0.00 O ATOM 0 H TYR B 47 4.597 -7.663 4.463 1.00 0.00 H new ATOM 0 HA TYR B 47 4.107 -9.721 2.615 1.00 0.00 H new ATOM 0 HB2 TYR B 47 3.616 -7.261 2.389 1.00 0.00 H new ATOM 0 HB3 TYR B 47 5.335 -6.962 2.223 1.00 0.00 H new ATOM 0 HD1 TYR B 47 2.384 -8.483 0.594 1.00 0.00 H new ATOM 0 HD2 TYR B 47 6.479 -7.399 0.136 1.00 0.00 H new ATOM 0 HE1 TYR B 47 2.204 -8.826 -1.831 1.00 0.00 H new ATOM 0 HE2 TYR B 47 6.300 -7.739 -2.288 1.00 0.00 H new ATOM 0 HH TYR B 47 5.002 -8.304 -3.985 1.00 0.00 H new ATOM 1723 N LEU B 48 7.255 -8.914 3.080 1.00 0.00 N ATOM 1724 CA LEU B 48 8.621 -9.352 2.848 1.00 0.00 C ATOM 1725 C LEU B 48 8.838 -10.750 3.402 1.00 0.00 C ATOM 1726 O LEU B 48 9.314 -11.630 2.695 1.00 0.00 O ATOM 1727 CB LEU B 48 9.619 -8.382 3.489 1.00 0.00 C ATOM 1728 CG LEU B 48 9.555 -6.941 2.977 1.00 0.00 C ATOM 1729 CD1 LEU B 48 10.573 -6.075 3.700 1.00 0.00 C ATOM 1730 CD2 LEU B 48 9.789 -6.890 1.474 1.00 0.00 C ATOM 0 H LEU B 48 7.168 -8.125 3.721 1.00 0.00 H new ATOM 0 HA LEU B 48 8.788 -9.368 1.771 1.00 0.00 H new ATOM 0 HB2 LEU B 48 9.452 -8.375 4.566 1.00 0.00 H new ATOM 0 HB3 LEU B 48 10.627 -8.763 3.325 1.00 0.00 H new ATOM 0 HG LEU B 48 8.558 -6.551 3.181 1.00 0.00 H new ATOM 0 HD11 LEU B 48 10.514 -5.054 3.324 1.00 0.00 H new ATOM 0 HD12 LEU B 48 10.362 -6.081 4.769 1.00 0.00 H new ATOM 0 HD13 LEU B 48 11.574 -6.469 3.526 1.00 0.00 H new ATOM 0 HD21 LEU B 48 9.739 -5.856 1.133 1.00 0.00 H new ATOM 0 HD22 LEU B 48 10.772 -7.300 1.245 1.00 0.00 H new ATOM 0 HD23 LEU B 48 9.024 -7.477 0.966 1.00 0.00 H new ATOM 1742 N ASP B 49 8.453 -10.949 4.656 1.00 0.00 N ATOM 1743 CA ASP B 49 8.728 -12.197 5.370 1.00 0.00 C ATOM 1744 C ASP B 49 8.055 -13.416 4.736 1.00 0.00 C ATOM 1745 O ASP B 49 8.604 -14.515 4.764 1.00 0.00 O ATOM 1746 CB ASP B 49 8.298 -12.072 6.829 1.00 0.00 C ATOM 1747 CG ASP B 49 8.580 -13.334 7.618 1.00 0.00 C ATOM 1748 OD1 ASP B 49 9.765 -13.703 7.758 1.00 0.00 O ATOM 1749 OD2 ASP B 49 7.619 -13.968 8.096 1.00 0.00 O ATOM 0 H ASP B 49 7.945 -10.257 5.207 1.00 0.00 H new ATOM 0 HA ASP B 49 9.804 -12.360 5.306 1.00 0.00 H new ATOM 0 HB2 ASP B 49 8.820 -11.233 7.289 1.00 0.00 H new ATOM 0 HB3 ASP B 49 7.232 -11.848 6.874 1.00 0.00 H new ATOM 1754 N ASN B 50 6.867 -13.234 4.172 1.00 0.00 N ATOM 1755 CA ASN B 50 6.143 -14.354 3.569 1.00 0.00 C ATOM 1756 C ASN B 50 6.704 -14.718 2.202 1.00 0.00 C ATOM 1757 O ASN B 50 6.564 -15.855 1.747 1.00 0.00 O ATOM 1758 CB ASN B 50 4.651 -14.039 3.453 1.00 0.00 C ATOM 1759 CG ASN B 50 3.958 -14.062 4.798 1.00 0.00 C ATOM 1760 OD1 ASN B 50 3.447 -15.093 5.228 1.00 0.00 O ATOM 1761 ND2 ASN B 50 3.938 -12.928 5.473 1.00 0.00 N ATOM 0 H ASN B 50 6.387 -12.336 4.118 1.00 0.00 H new ATOM 0 HA ASN B 50 6.275 -15.212 4.228 1.00 0.00 H new ATOM 0 HB2 ASN B 50 4.523 -13.058 2.996 1.00 0.00 H new ATOM 0 HB3 ASN B 50 4.178 -14.764 2.790 1.00 0.00 H new ATOM 0 HD21 ASN B 50 3.487 -12.886 6.387 1.00 0.00 H new ATOM 0 HD22 ASN B 50 4.374 -12.093 5.081 1.00 0.00 H new ATOM 1768 N HIS B 51 7.341 -13.762 1.544 1.00 0.00 N ATOM 1769 CA HIS B 51 7.924 -14.015 0.233 1.00 0.00 C ATOM 1770 C HIS B 51 9.401 -14.377 0.365 1.00 0.00 C ATOM 1771 O HIS B 51 9.854 -15.384 -0.181 1.00 0.00 O ATOM 1772 CB HIS B 51 7.747 -12.801 -0.690 1.00 0.00 C ATOM 1773 CG HIS B 51 6.325 -12.568 -1.122 1.00 0.00 C ATOM 1774 ND1 HIS B 51 5.841 -12.940 -2.355 1.00 0.00 N ATOM 1775 CD2 HIS B 51 5.286 -11.983 -0.482 1.00 0.00 C ATOM 1776 CE1 HIS B 51 4.570 -12.599 -2.452 1.00 0.00 C ATOM 1777 NE2 HIS B 51 4.206 -12.015 -1.328 1.00 0.00 N ATOM 0 H HIS B 51 7.468 -12.811 1.891 1.00 0.00 H new ATOM 0 HA HIS B 51 7.399 -14.859 -0.214 1.00 0.00 H new ATOM 0 HB2 HIS B 51 8.112 -11.911 -0.178 1.00 0.00 H new ATOM 0 HB3 HIS B 51 8.368 -12.936 -1.575 1.00 0.00 H new ATOM 0 HD1 HIS B 51 6.382 -13.408 -3.083 1.00 0.00 H new ATOM 0 HD2 HIS B 51 5.304 -11.566 0.514 1.00 0.00 H new ATOM 0 HE1 HIS B 51 3.935 -12.770 -3.309 1.00 0.00 H new