USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 949 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -9.57! C(o=-9.6!,f=-9.7!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0793 X(o=-0.079,f=-0.56) USER MOD Single : A 27 THR OG1 : rot 83:sc= 0.423 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= -0.321 K(o=-0.32,f=-3.3!) USER MOD Single : A 31 LYS NZ :NH3+ -110:sc= 0 (180deg=-0.0474) USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0127) USER MOD Single : A 44 ASN : amide:sc= -0.561 K(o=-0.56,f=-4.6!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 GLN : amide:sc= -9.7! C(o=-9.7!,f=-9.3!) USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 ASN : amide:sc= -0.0954 K(o=-0.095,f=-0.65) USER MOD Single : B 27 THR OG1 : rot 85:sc= 0.372 USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 GLN : amide:sc= -0.438 K(o=-0.44,f=-3.1!) USER MOD Single : B 31 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00175) USER MOD Single : B 37 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.0182) USER MOD Single : B 44 ASN : amide:sc= -0.588 K(o=-0.59,f=-4.7!) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 CYS SG : rot 180:sc= 0 USER MOD Single : C 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 13 SER OG : rot 180:sc= 0 USER MOD Single : C 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 GLN : amide:sc= -10.2! C(o=-10!,f=-10!) USER MOD Single : C 19 THR OG1 : rot 180:sc= 0 USER MOD Single : C 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 ASN : amide:sc= -0.0567 X(o=-0.057,f=-0.41) USER MOD Single : C 27 THR OG1 : rot 86:sc= 0.469 USER MOD Single : C 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 30 GLN : amide:sc= -0.441 K(o=-0.44,f=-3.4!) USER MOD Single : C 31 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.0821) USER MOD Single : C 37 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.00946) USER MOD ----------------------------------------------------------------- ATOM 121 N GLU A 10 19.663 2.516 -12.310 1.00 0.00 N ATOM 122 CA GLU A 10 18.256 2.104 -12.584 1.00 0.00 C ATOM 123 C GLU A 10 17.393 3.323 -12.933 1.00 0.00 C ATOM 124 O GLU A 10 16.283 3.462 -12.461 1.00 0.00 O ATOM 125 CB GLU A 10 17.779 1.463 -11.283 1.00 0.00 C ATOM 126 CG GLU A 10 18.322 0.037 -11.190 1.00 0.00 C ATOM 127 CD GLU A 10 19.543 0.016 -10.269 1.00 0.00 C ATOM 128 OE1 GLU A 10 20.083 1.079 -10.010 1.00 0.00 O ATOM 129 OE2 GLU A 10 19.916 -1.062 -9.836 1.00 0.00 O ATOM 0 HA GLU A 10 18.184 1.422 -13.431 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.119 2.050 -10.430 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.690 1.452 -11.248 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.552 -0.633 -10.806 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.594 -0.325 -12.181 1.00 0.00 H new ATOM 136 N CYS A 11 17.894 4.207 -13.752 1.00 0.00 N ATOM 137 CA CYS A 11 17.096 5.410 -14.119 1.00 0.00 C ATOM 138 C CYS A 11 15.660 5.020 -14.476 1.00 0.00 C ATOM 139 O CYS A 11 14.736 5.785 -14.286 1.00 0.00 O ATOM 140 CB CYS A 11 17.802 6.009 -15.335 1.00 0.00 C ATOM 141 SG CYS A 11 19.027 7.222 -14.784 1.00 0.00 S ATOM 0 H CYS A 11 18.818 4.148 -14.181 1.00 0.00 H new ATOM 0 HA CYS A 11 17.033 6.118 -13.293 1.00 0.00 H new ATOM 0 HB2 CYS A 11 18.288 5.222 -15.911 1.00 0.00 H new ATOM 0 HB3 CYS A 11 17.075 6.484 -15.994 1.00 0.00 H new ATOM 0 HG CYS A 11 19.630 7.730 -15.818 1.00 0.00 H new ATOM 146 N LYS A 12 15.467 3.841 -14.993 1.00 0.00 N ATOM 147 CA LYS A 12 14.088 3.409 -15.364 1.00 0.00 C ATOM 148 C LYS A 12 13.684 2.181 -14.545 1.00 0.00 C ATOM 149 O LYS A 12 12.535 1.795 -14.513 1.00 0.00 O ATOM 150 CB LYS A 12 14.170 3.053 -16.850 1.00 0.00 C ATOM 151 CG LYS A 12 14.460 4.312 -17.669 1.00 0.00 C ATOM 152 CD LYS A 12 15.727 4.098 -18.500 1.00 0.00 C ATOM 153 CE LYS A 12 16.255 5.449 -18.988 1.00 0.00 C ATOM 154 NZ LYS A 12 17.299 5.112 -19.995 1.00 0.00 N ATOM 0 H LYS A 12 16.201 3.157 -15.176 1.00 0.00 H new ATOM 0 HA LYS A 12 13.346 4.184 -15.169 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.954 2.313 -17.013 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.233 2.603 -17.178 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.617 4.536 -18.323 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.587 5.169 -17.007 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.486 3.594 -17.901 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.511 3.452 -19.351 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.459 6.048 -19.430 1.00 0.00 H new ATOM 0 HE3 LYS A 12 16.672 6.030 -18.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.709 5.988 -20.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 18.047 4.547 -19.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.871 4.565 -20.769 1.00 0.00 H new ATOM 168 N SER A 13 14.623 1.561 -13.890 1.00 0.00 N ATOM 169 CA SER A 13 14.296 0.350 -13.081 1.00 0.00 C ATOM 170 C SER A 13 13.631 0.743 -11.760 1.00 0.00 C ATOM 171 O SER A 13 12.826 0.012 -11.214 1.00 0.00 O ATOM 172 CB SER A 13 15.647 -0.323 -12.839 1.00 0.00 C ATOM 173 OG SER A 13 15.897 -1.260 -13.879 1.00 0.00 O ATOM 0 H SER A 13 15.604 1.839 -13.878 1.00 0.00 H new ATOM 0 HA SER A 13 13.592 -0.311 -13.586 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.439 0.425 -12.810 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.648 -0.826 -11.872 1.00 0.00 H new ATOM 0 HG SER A 13 16.763 -1.693 -13.728 1.00 0.00 H new ATOM 179 N ILE A 14 13.954 1.889 -11.247 1.00 0.00 N ATOM 180 CA ILE A 14 13.343 2.338 -9.965 1.00 0.00 C ATOM 181 C ILE A 14 11.980 2.964 -10.226 1.00 0.00 C ATOM 182 O ILE A 14 11.055 2.828 -9.450 1.00 0.00 O ATOM 183 CB ILE A 14 14.294 3.404 -9.452 1.00 0.00 C ATOM 184 CG1 ILE A 14 15.629 2.761 -9.098 1.00 0.00 C ATOM 185 CG2 ILE A 14 13.703 4.077 -8.211 1.00 0.00 C ATOM 186 CD1 ILE A 14 16.752 3.772 -9.333 1.00 0.00 C ATOM 0 H ILE A 14 14.620 2.542 -11.660 1.00 0.00 H new ATOM 0 HA ILE A 14 13.200 1.517 -9.263 1.00 0.00 H new ATOM 0 HB ILE A 14 14.444 4.156 -10.227 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.626 2.438 -8.057 1.00 0.00 H new ATOM 0 HG13 ILE A 14 15.791 1.872 -9.707 1.00 0.00 H new ATOM 0 HG21 ILE A 14 14.391 4.841 -7.849 1.00 0.00 H new ATOM 0 HG22 ILE A 14 12.750 4.540 -8.467 1.00 0.00 H new ATOM 0 HG23 ILE A 14 13.547 3.331 -7.432 1.00 0.00 H new ATOM 0 HD11 ILE A 14 17.710 3.317 -9.081 1.00 0.00 H new ATOM 0 HD12 ILE A 14 16.757 4.073 -10.381 1.00 0.00 H new ATOM 0 HD13 ILE A 14 16.590 4.648 -8.705 1.00 0.00 H new ATOM 198 N VAL A 15 11.860 3.659 -11.315 1.00 0.00 N ATOM 199 CA VAL A 15 10.565 4.315 -11.639 1.00 0.00 C ATOM 200 C VAL A 15 9.640 3.294 -12.295 1.00 0.00 C ATOM 201 O VAL A 15 8.429 3.411 -12.243 1.00 0.00 O ATOM 202 CB VAL A 15 10.896 5.470 -12.600 1.00 0.00 C ATOM 203 CG1 VAL A 15 9.931 6.630 -12.341 1.00 0.00 C ATOM 204 CG2 VAL A 15 12.331 5.961 -12.365 1.00 0.00 C ATOM 0 H VAL A 15 12.603 3.803 -11.999 1.00 0.00 H new ATOM 0 HA VAL A 15 10.057 4.696 -10.753 1.00 0.00 H new ATOM 0 HB VAL A 15 10.799 5.116 -13.626 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.160 7.452 -13.019 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.907 6.296 -12.509 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.038 6.969 -11.311 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.553 6.778 -13.051 1.00 0.00 H new ATOM 0 HG22 VAL A 15 12.432 6.312 -11.338 1.00 0.00 H new ATOM 0 HG23 VAL A 15 13.029 5.142 -12.539 1.00 0.00 H new ATOM 214 N LYS A 16 10.196 2.263 -12.875 1.00 0.00 N ATOM 215 CA LYS A 16 9.318 1.225 -13.486 1.00 0.00 C ATOM 216 C LYS A 16 8.802 0.344 -12.358 1.00 0.00 C ATOM 217 O LYS A 16 7.660 -0.071 -12.346 1.00 0.00 O ATOM 218 CB LYS A 16 10.176 0.434 -14.476 1.00 0.00 C ATOM 219 CG LYS A 16 11.207 -0.413 -13.735 1.00 0.00 C ATOM 220 CD LYS A 16 10.577 -1.744 -13.315 1.00 0.00 C ATOM 221 CE LYS A 16 11.184 -2.879 -14.145 1.00 0.00 C ATOM 222 NZ LYS A 16 10.777 -4.129 -13.447 1.00 0.00 N ATOM 0 H LYS A 16 11.199 2.097 -12.951 1.00 0.00 H new ATOM 0 HA LYS A 16 8.464 1.646 -14.017 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.540 -0.208 -15.085 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.681 1.119 -15.156 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.070 -0.594 -14.375 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.568 0.122 -12.857 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.750 -1.922 -12.254 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.497 -1.710 -13.460 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.813 -2.861 -15.170 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.269 -2.792 -14.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.157 -4.951 -13.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.150 -4.122 -12.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.739 -4.188 -13.418 1.00 0.00 H new ATOM 236 N PHE A 17 9.627 0.108 -11.374 1.00 0.00 N ATOM 237 CA PHE A 17 9.168 -0.686 -10.209 1.00 0.00 C ATOM 238 C PHE A 17 8.128 0.159 -9.470 1.00 0.00 C ATOM 239 O PHE A 17 7.194 -0.350 -8.882 1.00 0.00 O ATOM 240 CB PHE A 17 10.425 -0.911 -9.355 1.00 0.00 C ATOM 241 CG PHE A 17 10.047 -1.003 -7.893 1.00 0.00 C ATOM 242 CD1 PHE A 17 9.777 0.165 -7.170 1.00 0.00 C ATOM 243 CD2 PHE A 17 9.962 -2.250 -7.265 1.00 0.00 C ATOM 244 CE1 PHE A 17 9.422 0.086 -5.820 1.00 0.00 C ATOM 245 CE2 PHE A 17 9.606 -2.330 -5.914 1.00 0.00 C ATOM 246 CZ PHE A 17 9.336 -1.161 -5.191 1.00 0.00 C ATOM 0 H PHE A 17 10.594 0.431 -11.330 1.00 0.00 H new ATOM 0 HA PHE A 17 8.713 -1.642 -10.466 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.928 -1.826 -9.667 1.00 0.00 H new ATOM 0 HB3 PHE A 17 11.129 -0.093 -9.506 1.00 0.00 H new ATOM 0 HD1 PHE A 17 9.843 1.128 -7.655 1.00 0.00 H new ATOM 0 HD2 PHE A 17 10.171 -3.151 -7.823 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.214 0.987 -5.263 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.539 -3.293 -5.429 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.061 -1.222 -4.148 1.00 0.00 H new ATOM 256 N GLN A 18 8.286 1.457 -9.520 1.00 0.00 N ATOM 257 CA GLN A 18 7.306 2.357 -8.847 1.00 0.00 C ATOM 258 C GLN A 18 5.917 2.142 -9.449 1.00 0.00 C ATOM 259 O GLN A 18 4.932 2.035 -8.746 1.00 0.00 O ATOM 260 CB GLN A 18 7.797 3.776 -9.135 1.00 0.00 C ATOM 261 CG GLN A 18 8.745 4.231 -8.025 1.00 0.00 C ATOM 262 CD GLN A 18 8.950 5.746 -8.119 1.00 0.00 C ATOM 263 OE1 GLN A 18 9.397 6.368 -7.176 1.00 0.00 O ATOM 264 NE2 GLN A 18 8.642 6.372 -9.224 1.00 0.00 N ATOM 0 H GLN A 18 9.052 1.931 -9.998 1.00 0.00 H new ATOM 0 HA GLN A 18 7.234 2.166 -7.776 1.00 0.00 H new ATOM 0 HB2 GLN A 18 8.308 3.806 -10.097 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.949 4.457 -9.204 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.334 3.969 -7.050 1.00 0.00 H new ATOM 0 HG3 GLN A 18 9.702 3.717 -8.116 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.267 5.852 -10.017 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.777 7.381 -9.293 1.00 0.00 H new ATOM 273 N THR A 19 5.836 2.071 -10.748 1.00 0.00 N ATOM 274 CA THR A 19 4.511 1.849 -11.401 1.00 0.00 C ATOM 275 C THR A 19 3.892 0.561 -10.859 1.00 0.00 C ATOM 276 O THR A 19 2.694 0.461 -10.682 1.00 0.00 O ATOM 277 CB THR A 19 4.820 1.718 -12.894 1.00 0.00 C ATOM 278 OG1 THR A 19 5.031 3.010 -13.443 1.00 0.00 O ATOM 279 CG2 THR A 19 3.648 1.039 -13.607 1.00 0.00 C ATOM 0 H THR A 19 6.627 2.157 -11.387 1.00 0.00 H new ATOM 0 HA THR A 19 3.803 2.656 -11.211 1.00 0.00 H new ATOM 0 HB THR A 19 5.717 1.113 -13.029 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.231 2.931 -14.399 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.872 0.948 -14.670 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.489 0.047 -13.183 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.747 1.638 -13.476 1.00 0.00 H new ATOM 287 N LYS A 20 4.705 -0.419 -10.573 1.00 0.00 N ATOM 288 CA LYS A 20 4.169 -1.689 -10.016 1.00 0.00 C ATOM 289 C LYS A 20 3.634 -1.406 -8.616 1.00 0.00 C ATOM 290 O LYS A 20 2.676 -2.000 -8.163 1.00 0.00 O ATOM 291 CB LYS A 20 5.363 -2.644 -9.964 1.00 0.00 C ATOM 292 CG LYS A 20 5.673 -3.155 -11.373 1.00 0.00 C ATOM 293 CD LYS A 20 5.344 -4.648 -11.460 1.00 0.00 C ATOM 294 CE LYS A 20 4.948 -5.003 -12.896 1.00 0.00 C ATOM 295 NZ LYS A 20 5.255 -6.455 -13.032 1.00 0.00 N ATOM 0 H LYS A 20 5.717 -0.393 -10.702 1.00 0.00 H new ATOM 0 HA LYS A 20 3.359 -2.115 -10.608 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.233 -2.133 -9.552 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.143 -3.482 -9.302 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.091 -2.600 -12.109 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.724 -2.989 -11.608 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.207 -5.239 -11.153 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.531 -4.892 -10.777 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.891 -4.804 -13.075 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.510 -4.411 -13.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.010 -6.773 -13.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.269 -6.613 -12.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.700 -6.994 -12.336 1.00 0.00 H new ATOM 309 N VAL A 21 4.245 -0.473 -7.943 1.00 0.00 N ATOM 310 CA VAL A 21 3.786 -0.101 -6.579 1.00 0.00 C ATOM 311 C VAL A 21 2.564 0.815 -6.702 1.00 0.00 C ATOM 312 O VAL A 21 1.809 0.997 -5.769 1.00 0.00 O ATOM 313 CB VAL A 21 4.977 0.639 -5.960 1.00 0.00 C ATOM 314 CG1 VAL A 21 4.494 1.651 -4.919 1.00 0.00 C ATOM 315 CG2 VAL A 21 5.902 -0.372 -5.283 1.00 0.00 C ATOM 0 H VAL A 21 5.050 0.052 -8.284 1.00 0.00 H new ATOM 0 HA VAL A 21 3.490 -0.954 -5.969 1.00 0.00 H new ATOM 0 HB VAL A 21 5.511 1.168 -6.749 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.352 2.168 -4.489 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.835 2.376 -5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.951 1.130 -4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.751 0.150 -4.841 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.355 -0.900 -4.502 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.261 -1.088 -6.022 1.00 0.00 H new ATOM 325 N GLU A 22 2.369 1.386 -7.859 1.00 0.00 N ATOM 326 CA GLU A 22 1.201 2.285 -8.067 1.00 0.00 C ATOM 327 C GLU A 22 -0.074 1.450 -8.203 1.00 0.00 C ATOM 328 O GLU A 22 -1.090 1.741 -7.601 1.00 0.00 O ATOM 329 CB GLU A 22 1.512 3.026 -9.368 1.00 0.00 C ATOM 330 CG GLU A 22 2.275 4.313 -9.046 1.00 0.00 C ATOM 331 CD GLU A 22 2.252 5.246 -10.259 1.00 0.00 C ATOM 332 OE1 GLU A 22 1.178 5.464 -10.794 1.00 0.00 O ATOM 333 OE2 GLU A 22 3.309 5.730 -10.629 1.00 0.00 O ATOM 0 H GLU A 22 2.972 1.267 -8.673 1.00 0.00 H new ATOM 0 HA GLU A 22 1.041 2.974 -7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.105 2.393 -10.028 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.588 3.260 -9.897 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.824 4.808 -8.186 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.305 4.078 -8.775 1.00 0.00 H new ATOM 340 N GLU A 23 -0.025 0.403 -8.979 1.00 0.00 N ATOM 341 CA GLU A 23 -1.230 -0.459 -9.144 1.00 0.00 C ATOM 342 C GLU A 23 -1.425 -1.314 -7.890 1.00 0.00 C ATOM 343 O GLU A 23 -2.533 -1.637 -7.514 1.00 0.00 O ATOM 344 CB GLU A 23 -0.932 -1.342 -10.356 1.00 0.00 C ATOM 345 CG GLU A 23 0.262 -2.245 -10.047 1.00 0.00 C ATOM 346 CD GLU A 23 0.624 -3.057 -11.291 1.00 0.00 C ATOM 347 OE1 GLU A 23 1.407 -2.566 -12.088 1.00 0.00 O ATOM 348 OE2 GLU A 23 0.112 -4.156 -11.427 1.00 0.00 O ATOM 0 H GLU A 23 0.797 0.107 -9.506 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.141 0.122 -9.287 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.805 -1.947 -10.602 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.717 -0.723 -11.227 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.114 -1.643 -9.732 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.021 -2.914 -9.221 1.00 0.00 H new ATOM 355 N LEU A 24 -0.353 -1.676 -7.234 1.00 0.00 N ATOM 356 CA LEU A 24 -0.483 -2.496 -5.997 1.00 0.00 C ATOM 357 C LEU A 24 -1.105 -1.646 -4.888 1.00 0.00 C ATOM 358 O LEU A 24 -2.024 -2.063 -4.211 1.00 0.00 O ATOM 359 CB LEU A 24 0.946 -2.897 -5.629 1.00 0.00 C ATOM 360 CG LEU A 24 0.936 -4.256 -4.923 1.00 0.00 C ATOM 361 CD1 LEU A 24 -0.168 -4.281 -3.862 1.00 0.00 C ATOM 362 CD2 LEU A 24 0.679 -5.359 -5.952 1.00 0.00 C ATOM 0 H LEU A 24 0.602 -1.439 -7.501 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.120 -3.370 -6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.562 -2.947 -6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.390 -2.142 -4.980 1.00 0.00 H new ATOM 0 HG LEU A 24 1.900 -4.420 -4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.171 -5.250 -3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.014 -3.495 -3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.134 -4.115 -4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.671 -6.328 -5.453 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.285 -5.191 -6.433 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.467 -5.345 -6.705 1.00 0.00 H new ATOM 374 N ILE A 25 -0.618 -0.448 -4.710 1.00 0.00 N ATOM 375 CA ILE A 25 -1.189 0.439 -3.658 1.00 0.00 C ATOM 376 C ILE A 25 -2.682 0.648 -3.935 1.00 0.00 C ATOM 377 O ILE A 25 -3.492 0.669 -3.032 1.00 0.00 O ATOM 378 CB ILE A 25 -0.388 1.754 -3.769 1.00 0.00 C ATOM 379 CG1 ILE A 25 0.602 1.844 -2.602 1.00 0.00 C ATOM 380 CG2 ILE A 25 -1.322 2.972 -3.723 1.00 0.00 C ATOM 381 CD1 ILE A 25 1.297 0.494 -2.406 1.00 0.00 C ATOM 0 H ILE A 25 0.150 -0.046 -5.247 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.114 0.027 -2.652 1.00 0.00 H new ATOM 0 HB ILE A 25 0.143 1.754 -4.721 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.342 2.619 -2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.078 2.129 -1.690 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.733 3.886 -3.803 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.027 2.921 -4.553 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.870 2.975 -2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.999 0.564 -1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.552 -0.271 -2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.836 0.227 -3.315 1.00 0.00 H new ATOM 393 N ASN A 26 -3.049 0.792 -5.179 1.00 0.00 N ATOM 394 CA ASN A 26 -4.490 0.987 -5.508 1.00 0.00 C ATOM 395 C ASN A 26 -5.275 -0.266 -5.123 1.00 0.00 C ATOM 396 O ASN A 26 -6.329 -0.197 -4.523 1.00 0.00 O ATOM 397 CB ASN A 26 -4.530 1.203 -7.022 1.00 0.00 C ATOM 398 CG ASN A 26 -5.780 2.007 -7.389 1.00 0.00 C ATOM 399 OD1 ASN A 26 -6.075 3.008 -6.767 1.00 0.00 O ATOM 400 ND2 ASN A 26 -6.530 1.609 -8.380 1.00 0.00 N ATOM 0 H ASN A 26 -2.416 0.783 -5.979 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.932 1.827 -4.972 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.635 1.733 -7.348 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.538 0.242 -7.537 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.364 2.138 -8.633 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.282 0.768 -8.902 1.00 0.00 H new ATOM 407 N THR A 27 -4.755 -1.412 -5.457 1.00 0.00 N ATOM 408 CA THR A 27 -5.446 -2.686 -5.114 1.00 0.00 C ATOM 409 C THR A 27 -5.598 -2.808 -3.598 1.00 0.00 C ATOM 410 O THR A 27 -6.534 -3.401 -3.104 1.00 0.00 O ATOM 411 CB THR A 27 -4.520 -3.779 -5.641 1.00 0.00 C ATOM 412 OG1 THR A 27 -4.562 -3.791 -7.061 1.00 0.00 O ATOM 413 CG2 THR A 27 -4.966 -5.139 -5.099 1.00 0.00 C ATOM 0 H THR A 27 -3.873 -1.523 -5.957 1.00 0.00 H new ATOM 0 HA THR A 27 -6.446 -2.747 -5.543 1.00 0.00 H new ATOM 0 HB THR A 27 -3.500 -3.580 -5.311 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.950 -3.111 -7.412 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.303 -5.917 -5.477 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.927 -5.127 -4.010 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.986 -5.343 -5.423 1.00 0.00 H new ATOM 421 N LEU A 28 -4.679 -2.251 -2.856 1.00 0.00 N ATOM 422 CA LEU A 28 -4.772 -2.333 -1.371 1.00 0.00 C ATOM 423 C LEU A 28 -5.877 -1.402 -0.874 1.00 0.00 C ATOM 424 O LEU A 28 -6.723 -1.786 -0.090 1.00 0.00 O ATOM 425 CB LEU A 28 -3.408 -1.871 -0.863 1.00 0.00 C ATOM 426 CG LEU A 28 -2.384 -2.986 -1.072 1.00 0.00 C ATOM 427 CD1 LEU A 28 -0.995 -2.374 -1.264 1.00 0.00 C ATOM 428 CD2 LEU A 28 -2.373 -3.900 0.153 1.00 0.00 C ATOM 0 H LEU A 28 -3.870 -1.744 -3.214 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.013 -3.336 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.096 -0.971 -1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.470 -1.612 0.194 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.651 -3.565 -1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.264 -3.169 -1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.003 -1.720 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.727 -1.796 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.643 -4.696 0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.105 -3.321 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.363 -4.336 0.291 1.00 0.00 H new ATOM 440 N GLN A 29 -5.885 -0.187 -1.342 1.00 0.00 N ATOM 441 CA GLN A 29 -6.943 0.766 -0.920 1.00 0.00 C ATOM 442 C GLN A 29 -8.284 0.304 -1.494 1.00 0.00 C ATOM 443 O GLN A 29 -9.338 0.753 -1.092 1.00 0.00 O ATOM 444 CB GLN A 29 -6.518 2.102 -1.525 1.00 0.00 C ATOM 445 CG GLN A 29 -7.048 3.250 -0.664 1.00 0.00 C ATOM 446 CD GLN A 29 -7.453 4.418 -1.564 1.00 0.00 C ATOM 447 OE1 GLN A 29 -8.594 4.524 -1.966 1.00 0.00 O ATOM 448 NE2 GLN A 29 -6.557 5.305 -1.901 1.00 0.00 N ATOM 0 H GLN A 29 -5.202 0.187 -2.001 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.060 0.836 0.161 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.431 2.154 -1.588 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.901 2.190 -2.542 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.904 2.914 -0.079 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.284 3.571 0.044 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.599 5.216 -1.563 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.815 6.088 -2.502 1.00 0.00 H new ATOM 457 N GLN A 30 -8.238 -0.608 -2.429 1.00 0.00 N ATOM 458 CA GLN A 30 -9.491 -1.132 -3.036 1.00 0.00 C ATOM 459 C GLN A 30 -10.068 -2.219 -2.133 1.00 0.00 C ATOM 460 O GLN A 30 -11.220 -2.179 -1.747 1.00 0.00 O ATOM 461 CB GLN A 30 -9.059 -1.721 -4.378 1.00 0.00 C ATOM 462 CG GLN A 30 -8.846 -0.587 -5.378 1.00 0.00 C ATOM 463 CD GLN A 30 -9.940 -0.631 -6.446 1.00 0.00 C ATOM 464 OE1 GLN A 30 -10.622 -1.625 -6.592 1.00 0.00 O ATOM 465 NE2 GLN A 30 -10.136 0.414 -7.203 1.00 0.00 N ATOM 0 H GLN A 30 -7.378 -1.014 -2.799 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.258 -0.367 -3.160 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.140 -2.294 -4.258 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.818 -2.410 -4.748 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.865 0.374 -4.863 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.865 -0.679 -5.844 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.562 1.248 -7.079 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.863 0.396 -7.918 1.00 0.00 H new ATOM 474 N LYS A 31 -9.262 -3.179 -1.775 1.00 0.00 N ATOM 475 CA LYS A 31 -9.749 -4.261 -0.874 1.00 0.00 C ATOM 476 C LYS A 31 -10.031 -3.666 0.505 1.00 0.00 C ATOM 477 O LYS A 31 -10.704 -4.256 1.327 1.00 0.00 O ATOM 478 CB LYS A 31 -8.605 -5.273 -0.805 1.00 0.00 C ATOM 479 CG LYS A 31 -8.917 -6.466 -1.712 1.00 0.00 C ATOM 480 CD LYS A 31 -7.740 -7.443 -1.699 1.00 0.00 C ATOM 481 CE LYS A 31 -7.966 -8.530 -2.752 1.00 0.00 C ATOM 482 NZ LYS A 31 -8.909 -9.491 -2.115 1.00 0.00 N ATOM 0 H LYS A 31 -8.288 -3.261 -2.067 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.668 -4.729 -1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.671 -4.803 -1.114 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.467 -5.611 0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.823 -6.968 -1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.106 -6.123 -2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.811 -6.912 -1.903 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.639 -7.894 -0.712 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.386 -8.112 -3.667 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.030 -9.017 -3.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.411 -10.379 -1.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.276 -9.083 -1.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.700 -9.682 -2.763 1.00 0.00 H new ATOM 496 N LEU A 32 -9.522 -2.489 0.753 1.00 0.00 N ATOM 497 CA LEU A 32 -9.752 -1.828 2.066 1.00 0.00 C ATOM 498 C LEU A 32 -11.111 -1.126 2.058 1.00 0.00 C ATOM 499 O LEU A 32 -11.896 -1.261 2.974 1.00 0.00 O ATOM 500 CB LEU A 32 -8.621 -0.808 2.192 1.00 0.00 C ATOM 501 CG LEU A 32 -8.368 -0.500 3.667 1.00 0.00 C ATOM 502 CD1 LEU A 32 -8.130 -1.805 4.431 1.00 0.00 C ATOM 503 CD2 LEU A 32 -7.133 0.395 3.788 1.00 0.00 C ATOM 0 H LEU A 32 -8.953 -1.955 0.096 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.758 -2.533 2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.714 -1.198 1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.882 0.106 1.659 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.235 0.010 4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.950 -1.583 5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.008 -2.445 4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.263 -2.317 4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.947 0.618 4.839 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.269 -0.119 3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.302 1.324 3.244 1.00 0.00 H new ATOM 515 N GLU A 33 -11.400 -0.383 1.022 1.00 0.00 N ATOM 516 CA GLU A 33 -12.715 0.313 0.958 1.00 0.00 C ATOM 517 C GLU A 33 -13.825 -0.721 0.795 1.00 0.00 C ATOM 518 O GLU A 33 -14.975 -0.468 1.092 1.00 0.00 O ATOM 519 CB GLU A 33 -12.635 1.223 -0.268 1.00 0.00 C ATOM 520 CG GLU A 33 -13.954 1.982 -0.425 1.00 0.00 C ATOM 521 CD GLU A 33 -13.704 3.283 -1.188 1.00 0.00 C ATOM 522 OE1 GLU A 33 -12.549 3.590 -1.435 1.00 0.00 O ATOM 523 OE2 GLU A 33 -14.671 3.953 -1.512 1.00 0.00 O ATOM 0 H GLU A 33 -10.785 -0.230 0.223 1.00 0.00 H new ATOM 0 HA GLU A 33 -12.931 0.886 1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.809 1.926 -0.159 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.435 0.631 -1.161 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.678 1.368 -0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.381 2.198 0.554 1.00 0.00 H new ATOM 530 N ALA A 34 -13.479 -1.896 0.352 1.00 0.00 N ATOM 531 CA ALA A 34 -14.501 -2.963 0.198 1.00 0.00 C ATOM 532 C ALA A 34 -14.585 -3.726 1.514 1.00 0.00 C ATOM 533 O ALA A 34 -15.637 -4.165 1.935 1.00 0.00 O ATOM 534 CB ALA A 34 -13.987 -3.864 -0.926 1.00 0.00 C ATOM 0 H ALA A 34 -12.530 -2.163 0.090 1.00 0.00 H new ATOM 0 HA ALA A 34 -15.494 -2.582 -0.040 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.695 -4.676 -1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.881 -3.280 -1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.019 -4.279 -0.646 1.00 0.00 H new ATOM 540 N VAL A 35 -13.470 -3.852 2.180 1.00 0.00 N ATOM 541 CA VAL A 35 -13.452 -4.547 3.489 1.00 0.00 C ATOM 542 C VAL A 35 -14.331 -3.761 4.465 1.00 0.00 C ATOM 543 O VAL A 35 -15.057 -4.325 5.260 1.00 0.00 O ATOM 544 CB VAL A 35 -11.972 -4.536 3.908 1.00 0.00 C ATOM 545 CG1 VAL A 35 -11.832 -4.290 5.414 1.00 0.00 C ATOM 546 CG2 VAL A 35 -11.343 -5.885 3.561 1.00 0.00 C ATOM 0 H VAL A 35 -12.566 -3.499 1.867 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.839 -5.566 3.461 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.465 -3.732 3.375 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.776 -4.287 5.686 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.275 -3.327 5.668 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.345 -5.081 5.961 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.294 -5.884 3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.868 -6.679 4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.418 -6.056 2.487 1.00 0.00 H new ATOM 556 N ALA A 36 -14.282 -2.457 4.393 1.00 0.00 N ATOM 557 CA ALA A 36 -15.128 -1.634 5.298 1.00 0.00 C ATOM 558 C ALA A 36 -16.588 -1.768 4.871 1.00 0.00 C ATOM 559 O ALA A 36 -17.497 -1.626 5.665 1.00 0.00 O ATOM 560 CB ALA A 36 -14.642 -0.197 5.112 1.00 0.00 C ATOM 0 H ALA A 36 -13.694 -1.930 3.748 1.00 0.00 H new ATOM 0 HA ALA A 36 -15.056 -1.943 6.341 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.222 0.469 5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.588 -0.132 5.382 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -14.768 0.098 4.070 1.00 0.00 H new ATOM 566 N LYS A 37 -16.817 -2.051 3.617 1.00 0.00 N ATOM 567 CA LYS A 37 -18.217 -2.208 3.134 1.00 0.00 C ATOM 568 C LYS A 37 -18.733 -3.592 3.513 1.00 0.00 C ATOM 569 O LYS A 37 -19.920 -3.849 3.506 1.00 0.00 O ATOM 570 CB LYS A 37 -18.143 -2.051 1.616 1.00 0.00 C ATOM 571 CG LYS A 37 -18.595 -0.644 1.223 1.00 0.00 C ATOM 572 CD LYS A 37 -17.699 -0.115 0.102 1.00 0.00 C ATOM 573 CE LYS A 37 -18.557 0.580 -0.957 1.00 0.00 C ATOM 574 NZ LYS A 37 -18.877 1.915 -0.377 1.00 0.00 N ATOM 0 H LYS A 37 -16.095 -2.180 2.908 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.896 -1.477 3.573 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.124 -2.226 1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.775 -2.795 1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -19.634 -0.663 0.894 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.546 0.020 2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.967 0.584 0.507 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.141 -0.936 -0.349 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.018 0.678 -1.900 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.464 0.012 -1.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.407 2.478 -1.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.453 1.792 0.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -17.994 2.408 -0.133 1.00 0.00 H new ATOM 588 N ARG A 38 -17.850 -4.483 3.862 1.00 0.00 N ATOM 589 CA ARG A 38 -18.293 -5.839 4.269 1.00 0.00 C ATOM 590 C ARG A 38 -18.562 -5.828 5.771 1.00 0.00 C ATOM 591 O ARG A 38 -19.525 -6.396 6.249 1.00 0.00 O ATOM 592 CB ARG A 38 -17.124 -6.756 3.926 1.00 0.00 C ATOM 593 CG ARG A 38 -16.873 -6.716 2.418 1.00 0.00 C ATOM 594 CD ARG A 38 -17.792 -7.719 1.718 1.00 0.00 C ATOM 595 NE ARG A 38 -16.871 -8.678 1.045 1.00 0.00 N ATOM 596 CZ ARG A 38 -17.324 -9.824 0.615 1.00 0.00 C ATOM 597 NH1 ARG A 38 -18.033 -10.585 1.403 1.00 0.00 N ATOM 598 NH2 ARG A 38 -17.066 -10.211 -0.605 1.00 0.00 N ATOM 0 H ARG A 38 -16.842 -4.329 3.882 1.00 0.00 H new ATOM 0 HA ARG A 38 -19.205 -6.167 3.771 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -16.230 -6.440 4.463 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -17.342 -7.776 4.243 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -17.055 -5.712 2.035 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -15.830 -6.953 2.206 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -18.439 -8.228 2.433 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -18.442 -7.223 0.997 1.00 0.00 H new ATOM 0 HE ARG A 38 -15.887 -8.439 0.921 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -18.234 -10.285 2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -18.386 -11.480 1.065 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -16.511 -9.618 -1.222 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -17.420 -11.107 -0.942 1.00 0.00 H new ATOM 612 N ILE A 39 -17.728 -5.153 6.513 1.00 0.00 N ATOM 613 CA ILE A 39 -17.946 -5.074 7.980 1.00 0.00 C ATOM 614 C ILE A 39 -19.264 -4.359 8.244 1.00 0.00 C ATOM 615 O ILE A 39 -20.033 -4.759 9.089 1.00 0.00 O ATOM 616 CB ILE A 39 -16.770 -4.267 8.530 1.00 0.00 C ATOM 617 CG1 ILE A 39 -15.492 -5.108 8.415 1.00 0.00 C ATOM 618 CG2 ILE A 39 -17.035 -3.911 9.999 1.00 0.00 C ATOM 619 CD1 ILE A 39 -14.459 -4.652 9.451 1.00 0.00 C ATOM 0 H ILE A 39 -16.908 -4.655 6.166 1.00 0.00 H new ATOM 0 HA ILE A 39 -17.998 -6.055 8.452 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.651 -3.346 7.960 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.727 -6.162 8.566 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.076 -5.015 7.412 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.196 -3.336 10.391 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -17.947 -3.318 10.071 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -17.150 -4.826 10.580 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.558 -5.258 9.357 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.211 -3.604 9.281 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.872 -4.769 10.453 1.00 0.00 H new ATOM 631 N GLU A 40 -19.542 -3.318 7.507 1.00 0.00 N ATOM 632 CA GLU A 40 -20.828 -2.603 7.709 1.00 0.00 C ATOM 633 C GLU A 40 -21.965 -3.567 7.393 1.00 0.00 C ATOM 634 O GLU A 40 -23.031 -3.504 7.972 1.00 0.00 O ATOM 635 CB GLU A 40 -20.805 -1.431 6.727 1.00 0.00 C ATOM 636 CG GLU A 40 -21.005 -1.946 5.304 1.00 0.00 C ATOM 637 CD GLU A 40 -22.500 -1.992 4.978 1.00 0.00 C ATOM 638 OE1 GLU A 40 -23.116 -0.939 4.972 1.00 0.00 O ATOM 639 OE2 GLU A 40 -23.000 -3.078 4.739 1.00 0.00 O ATOM 0 H GLU A 40 -18.937 -2.936 6.780 1.00 0.00 H new ATOM 0 HA GLU A 40 -20.967 -2.243 8.728 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -21.590 -0.718 6.979 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -19.856 -0.900 6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -20.488 -1.298 4.596 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -20.570 -2.940 5.202 1.00 0.00 H new ATOM 646 N ALA A 41 -21.726 -4.485 6.498 1.00 0.00 N ATOM 647 CA ALA A 41 -22.773 -5.485 6.166 1.00 0.00 C ATOM 648 C ALA A 41 -23.101 -6.270 7.431 1.00 0.00 C ATOM 649 O ALA A 41 -24.246 -6.540 7.735 1.00 0.00 O ATOM 650 CB ALA A 41 -22.146 -6.394 5.108 1.00 0.00 C ATOM 0 H ALA A 41 -20.851 -4.584 5.984 1.00 0.00 H new ATOM 0 HA ALA A 41 -23.695 -5.038 5.795 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -22.864 -7.159 4.814 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -21.870 -5.801 4.236 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -21.256 -6.870 5.519 1.00 0.00 H new ATOM 656 N LEU A 42 -22.096 -6.609 8.188 1.00 0.00 N ATOM 657 CA LEU A 42 -22.338 -7.346 9.457 1.00 0.00 C ATOM 658 C LEU A 42 -22.926 -6.381 10.480 1.00 0.00 C ATOM 659 O LEU A 42 -23.673 -6.764 11.353 1.00 0.00 O ATOM 660 CB LEU A 42 -20.962 -7.845 9.912 1.00 0.00 C ATOM 661 CG LEU A 42 -20.435 -8.963 8.989 1.00 0.00 C ATOM 662 CD1 LEU A 42 -21.543 -9.513 8.078 1.00 0.00 C ATOM 663 CD2 LEU A 42 -19.308 -8.399 8.125 1.00 0.00 C ATOM 0 H LEU A 42 -21.118 -6.407 7.982 1.00 0.00 H new ATOM 0 HA LEU A 42 -23.035 -8.176 9.338 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -20.256 -7.014 9.919 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -21.028 -8.216 10.935 1.00 0.00 H new ATOM 0 HG LEU A 42 -20.073 -9.781 9.612 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -21.135 -10.299 7.442 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -22.347 -9.922 8.690 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.934 -8.709 7.455 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -18.927 -9.181 7.468 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -19.689 -7.573 7.524 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -18.503 -8.040 8.766 1.00 0.00 H new ATOM 675 N GLU A 43 -22.606 -5.122 10.361 1.00 0.00 N ATOM 676 CA GLU A 43 -23.159 -4.120 11.310 1.00 0.00 C ATOM 677 C GLU A 43 -24.647 -3.945 11.039 1.00 0.00 C ATOM 678 O GLU A 43 -25.390 -3.441 11.856 1.00 0.00 O ATOM 679 CB GLU A 43 -22.397 -2.836 11.008 1.00 0.00 C ATOM 680 CG GLU A 43 -20.920 -3.067 11.292 1.00 0.00 C ATOM 681 CD GLU A 43 -20.368 -1.898 12.108 1.00 0.00 C ATOM 682 OE1 GLU A 43 -20.668 -1.830 13.287 1.00 0.00 O ATOM 683 OE2 GLU A 43 -19.659 -1.087 11.536 1.00 0.00 O ATOM 0 H GLU A 43 -21.984 -4.745 9.646 1.00 0.00 H new ATOM 0 HA GLU A 43 -23.051 -4.412 12.354 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -22.541 -2.547 9.967 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -22.776 -2.018 11.621 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -20.786 -4.001 11.838 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -20.370 -3.163 10.356 1.00 0.00 H new ATOM 690 N ASN A 44 -25.086 -4.378 9.892 1.00 0.00 N ATOM 691 CA ASN A 44 -26.533 -4.265 9.558 1.00 0.00 C ATOM 692 C ASN A 44 -27.304 -5.329 10.340 1.00 0.00 C ATOM 693 O ASN A 44 -28.505 -5.246 10.511 1.00 0.00 O ATOM 694 CB ASN A 44 -26.622 -4.529 8.053 1.00 0.00 C ATOM 695 CG ASN A 44 -26.199 -3.276 7.280 1.00 0.00 C ATOM 696 OD1 ASN A 44 -25.215 -3.291 6.569 1.00 0.00 O ATOM 697 ND2 ASN A 44 -26.907 -2.185 7.390 1.00 0.00 N ATOM 0 H ASN A 44 -24.506 -4.806 9.170 1.00 0.00 H new ATOM 0 HA ASN A 44 -26.954 -3.293 9.813 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -25.980 -5.368 7.783 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -27.641 -4.807 7.783 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -26.633 -1.346 6.879 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -27.734 -2.172 7.987 1.00 0.00 H new ATOM 704 N LYS A 45 -26.610 -6.325 10.824 1.00 0.00 N ATOM 705 CA LYS A 45 -27.278 -7.402 11.609 1.00 0.00 C ATOM 706 C LYS A 45 -26.813 -7.343 13.067 1.00 0.00 C ATOM 707 O LYS A 45 -27.443 -7.889 13.952 1.00 0.00 O ATOM 708 CB LYS A 45 -26.830 -8.712 10.958 1.00 0.00 C ATOM 709 CG LYS A 45 -27.576 -8.912 9.635 1.00 0.00 C ATOM 710 CD LYS A 45 -27.226 -7.774 8.675 1.00 0.00 C ATOM 711 CE LYS A 45 -27.248 -8.292 7.234 1.00 0.00 C ATOM 712 NZ LYS A 45 -28.590 -7.918 6.710 1.00 0.00 N ATOM 0 H LYS A 45 -25.603 -6.438 10.708 1.00 0.00 H new ATOM 0 HA LYS A 45 -28.363 -7.303 11.609 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -25.755 -8.692 10.781 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -27.027 -9.549 11.628 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -27.305 -9.871 9.194 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -28.651 -8.935 9.812 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -27.938 -6.957 8.789 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -26.240 -7.374 8.913 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -26.453 -7.841 6.640 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -27.098 -9.371 7.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -28.680 -8.240 5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -29.327 -8.367 7.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -28.702 -6.885 6.748 1.00 0.00 H new ATOM 726 N ILE A 46 -25.718 -6.678 13.328 1.00 0.00 N ATOM 727 CA ILE A 46 -25.221 -6.581 14.731 1.00 0.00 C ATOM 728 C ILE A 46 -25.579 -5.212 15.314 1.00 0.00 C ATOM 729 O ILE A 46 -25.501 -4.993 16.507 1.00 0.00 O ATOM 730 CB ILE A 46 -23.696 -6.741 14.644 1.00 0.00 C ATOM 731 CG1 ILE A 46 -23.317 -8.103 14.036 1.00 0.00 C ATOM 732 CG2 ILE A 46 -23.097 -6.646 16.046 1.00 0.00 C ATOM 733 CD1 ILE A 46 -24.363 -9.164 14.400 1.00 0.00 C ATOM 0 H ILE A 46 -25.148 -6.199 12.631 1.00 0.00 H new ATOM 0 HA ILE A 46 -25.666 -7.339 15.375 1.00 0.00 H new ATOM 0 HB ILE A 46 -23.305 -5.949 14.005 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -23.241 -8.016 12.952 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -22.337 -8.410 14.400 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -22.014 -6.759 15.988 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -23.337 -5.675 16.479 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -23.511 -7.436 16.673 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -24.079 -10.121 13.962 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -24.418 -9.264 15.484 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -25.337 -8.863 14.013 1.00 0.00 H new ATOM 886 N GLU B 10 14.557 11.786 -13.672 1.00 0.00 N ATOM 887 CA GLU B 10 13.617 12.105 -12.560 1.00 0.00 C ATOM 888 C GLU B 10 14.333 12.018 -11.207 1.00 0.00 C ATOM 889 O GLU B 10 13.815 11.471 -10.254 1.00 0.00 O ATOM 890 CB GLU B 10 12.524 11.044 -12.665 1.00 0.00 C ATOM 891 CG GLU B 10 11.534 11.445 -13.760 1.00 0.00 C ATOM 892 CD GLU B 10 11.738 10.556 -14.987 1.00 0.00 C ATOM 893 OE1 GLU B 10 12.707 9.813 -15.003 1.00 0.00 O ATOM 894 OE2 GLU B 10 10.923 10.632 -15.892 1.00 0.00 O ATOM 0 HA GLU B 10 13.217 13.117 -12.631 1.00 0.00 H new ATOM 0 HB2 GLU B 10 12.964 10.073 -12.894 1.00 0.00 H new ATOM 0 HB3 GLU B 10 12.007 10.942 -11.711 1.00 0.00 H new ATOM 0 HG2 GLU B 10 10.512 11.347 -13.394 1.00 0.00 H new ATOM 0 HG3 GLU B 10 11.678 12.492 -14.029 1.00 0.00 H new ATOM 901 N CYS B 11 15.523 12.549 -11.117 1.00 0.00 N ATOM 902 CA CYS B 11 16.270 12.492 -9.829 1.00 0.00 C ATOM 903 C CYS B 11 15.362 12.877 -8.661 1.00 0.00 C ATOM 904 O CYS B 11 15.528 12.407 -7.553 1.00 0.00 O ATOM 905 CB CYS B 11 17.403 13.507 -9.980 1.00 0.00 C ATOM 906 SG CYS B 11 18.867 12.680 -10.652 1.00 0.00 S ATOM 0 H CYS B 11 16.009 13.020 -11.880 1.00 0.00 H new ATOM 0 HA CYS B 11 16.642 11.489 -9.620 1.00 0.00 H new ATOM 0 HB2 CYS B 11 17.094 14.317 -10.641 1.00 0.00 H new ATOM 0 HB3 CYS B 11 17.636 13.955 -9.014 1.00 0.00 H new ATOM 911 N LYS B 12 14.406 13.728 -8.898 1.00 0.00 N ATOM 912 CA LYS B 12 13.490 14.143 -7.798 1.00 0.00 C ATOM 913 C LYS B 12 12.052 13.730 -8.121 1.00 0.00 C ATOM 914 O LYS B 12 11.178 13.782 -7.284 1.00 0.00 O ATOM 915 CB LYS B 12 13.611 15.668 -7.737 1.00 0.00 C ATOM 916 CG LYS B 12 15.030 16.051 -7.310 1.00 0.00 C ATOM 917 CD LYS B 12 15.659 16.960 -8.369 1.00 0.00 C ATOM 918 CE LYS B 12 17.161 17.083 -8.106 1.00 0.00 C ATOM 919 NZ LYS B 12 17.619 18.198 -8.981 1.00 0.00 N ATOM 0 H LYS B 12 14.218 14.155 -9.805 1.00 0.00 H new ATOM 0 HA LYS B 12 13.747 13.675 -6.848 1.00 0.00 H new ATOM 0 HB2 LYS B 12 13.384 16.101 -8.711 1.00 0.00 H new ATOM 0 HB3 LYS B 12 12.886 16.073 -7.031 1.00 0.00 H new ATOM 0 HG2 LYS B 12 15.005 16.561 -6.347 1.00 0.00 H new ATOM 0 HG3 LYS B 12 15.636 15.154 -7.180 1.00 0.00 H new ATOM 0 HD2 LYS B 12 15.485 16.551 -9.364 1.00 0.00 H new ATOM 0 HD3 LYS B 12 15.192 17.945 -8.343 1.00 0.00 H new ATOM 0 HE2 LYS B 12 17.361 17.298 -7.056 1.00 0.00 H new ATOM 0 HE3 LYS B 12 17.680 16.155 -8.346 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 18.641 18.341 -8.855 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 17.423 17.963 -9.975 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 17.113 19.070 -8.725 1.00 0.00 H new ATOM 933 N SER B 13 11.801 13.323 -9.333 1.00 0.00 N ATOM 934 CA SER B 13 10.415 12.910 -9.712 1.00 0.00 C ATOM 935 C SER B 13 10.108 11.506 -9.186 1.00 0.00 C ATOM 936 O SER B 13 8.981 11.180 -8.866 1.00 0.00 O ATOM 937 CB SER B 13 10.408 12.940 -11.239 1.00 0.00 C ATOM 938 OG SER B 13 9.991 14.225 -11.681 1.00 0.00 O ATOM 0 H SER B 13 12.493 13.257 -10.080 1.00 0.00 H new ATOM 0 HA SER B 13 9.654 13.565 -9.288 1.00 0.00 H new ATOM 0 HB2 SER B 13 11.403 12.716 -11.623 1.00 0.00 H new ATOM 0 HB3 SER B 13 9.736 12.174 -11.626 1.00 0.00 H new ATOM 0 HG SER B 13 9.987 14.249 -12.661 1.00 0.00 H new ATOM 944 N ILE B 14 11.104 10.678 -9.086 1.00 0.00 N ATOM 945 CA ILE B 14 10.889 9.293 -8.578 1.00 0.00 C ATOM 946 C ILE B 14 10.861 9.299 -7.056 1.00 0.00 C ATOM 947 O ILE B 14 10.125 8.568 -6.426 1.00 0.00 O ATOM 948 CB ILE B 14 12.114 8.533 -9.057 1.00 0.00 C ATOM 949 CG1 ILE B 14 12.109 8.476 -10.580 1.00 0.00 C ATOM 950 CG2 ILE B 14 12.107 7.111 -8.487 1.00 0.00 C ATOM 951 CD1 ILE B 14 13.549 8.469 -11.093 1.00 0.00 C ATOM 0 H ILE B 14 12.068 10.900 -9.336 1.00 0.00 H new ATOM 0 HA ILE B 14 9.951 8.858 -8.924 1.00 0.00 H new ATOM 0 HB ILE B 14 13.012 9.046 -8.713 1.00 0.00 H new ATOM 0 HG12 ILE B 14 11.586 7.582 -10.920 1.00 0.00 H new ATOM 0 HG13 ILE B 14 11.571 9.333 -10.985 1.00 0.00 H new ATOM 0 HG21 ILE B 14 12.989 6.575 -8.836 1.00 0.00 H new ATOM 0 HG22 ILE B 14 12.117 7.155 -7.398 1.00 0.00 H new ATOM 0 HG23 ILE B 14 11.210 6.590 -8.821 1.00 0.00 H new ATOM 0 HD11 ILE B 14 13.547 8.428 -12.182 1.00 0.00 H new ATOM 0 HD12 ILE B 14 14.057 9.376 -10.765 1.00 0.00 H new ATOM 0 HD13 ILE B 14 14.072 7.598 -10.698 1.00 0.00 H new ATOM 963 N VAL B 15 11.677 10.120 -6.468 1.00 0.00 N ATOM 964 CA VAL B 15 11.734 10.184 -4.983 1.00 0.00 C ATOM 965 C VAL B 15 10.607 11.079 -4.476 1.00 0.00 C ATOM 966 O VAL B 15 10.141 10.938 -3.359 1.00 0.00 O ATOM 967 CB VAL B 15 13.110 10.773 -4.631 1.00 0.00 C ATOM 968 CG1 VAL B 15 13.613 10.135 -3.335 1.00 0.00 C ATOM 969 CG2 VAL B 15 14.121 10.481 -5.749 1.00 0.00 C ATOM 0 H VAL B 15 12.312 10.754 -6.953 1.00 0.00 H new ATOM 0 HA VAL B 15 11.609 9.205 -4.521 1.00 0.00 H new ATOM 0 HB VAL B 15 13.009 11.852 -4.511 1.00 0.00 H new ATOM 0 HG11 VAL B 15 14.589 10.549 -3.080 1.00 0.00 H new ATOM 0 HG12 VAL B 15 12.909 10.344 -2.530 1.00 0.00 H new ATOM 0 HG13 VAL B 15 13.700 9.057 -3.470 1.00 0.00 H new ATOM 0 HG21 VAL B 15 15.089 10.905 -5.484 1.00 0.00 H new ATOM 0 HG22 VAL B 15 14.220 9.403 -5.878 1.00 0.00 H new ATOM 0 HG23 VAL B 15 13.773 10.927 -6.680 1.00 0.00 H new ATOM 979 N LYS B 16 10.131 11.977 -5.297 1.00 0.00 N ATOM 980 CA LYS B 16 9.003 12.837 -4.842 1.00 0.00 C ATOM 981 C LYS B 16 7.729 12.018 -4.962 1.00 0.00 C ATOM 982 O LYS B 16 6.841 12.096 -4.135 1.00 0.00 O ATOM 983 CB LYS B 16 8.978 14.063 -5.759 1.00 0.00 C ATOM 984 CG LYS B 16 8.556 13.665 -7.172 1.00 0.00 C ATOM 985 CD LYS B 16 7.028 13.640 -7.260 1.00 0.00 C ATOM 986 CE LYS B 16 6.551 14.794 -8.144 1.00 0.00 C ATOM 987 NZ LYS B 16 5.099 14.541 -8.359 1.00 0.00 N ATOM 0 H LYS B 16 10.467 12.150 -6.244 1.00 0.00 H new ATOM 0 HA LYS B 16 9.106 13.169 -3.809 1.00 0.00 H new ATOM 0 HB2 LYS B 16 8.287 14.807 -5.363 1.00 0.00 H new ATOM 0 HB3 LYS B 16 9.965 14.526 -5.784 1.00 0.00 H new ATOM 0 HG2 LYS B 16 8.961 14.371 -7.897 1.00 0.00 H new ATOM 0 HG3 LYS B 16 8.961 12.684 -7.422 1.00 0.00 H new ATOM 0 HD2 LYS B 16 6.692 12.689 -7.672 1.00 0.00 H new ATOM 0 HD3 LYS B 16 6.594 13.727 -6.264 1.00 0.00 H new ATOM 0 HE2 LYS B 16 6.716 15.756 -7.660 1.00 0.00 H new ATOM 0 HE3 LYS B 16 7.092 14.816 -9.090 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 4.701 15.292 -8.958 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 4.973 13.621 -8.828 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 4.609 14.532 -7.442 1.00 0.00 H new ATOM 1001 N PHE B 17 7.661 11.187 -5.963 1.00 0.00 N ATOM 1002 CA PHE B 17 6.477 10.308 -6.110 1.00 0.00 C ATOM 1003 C PHE B 17 6.516 9.304 -4.956 1.00 0.00 C ATOM 1004 O PHE B 17 5.500 8.870 -4.451 1.00 0.00 O ATOM 1005 CB PHE B 17 6.659 9.613 -7.468 1.00 0.00 C ATOM 1006 CG PHE B 17 6.013 8.247 -7.443 1.00 0.00 C ATOM 1007 CD1 PHE B 17 6.688 7.169 -6.861 1.00 0.00 C ATOM 1008 CD2 PHE B 17 4.741 8.061 -7.994 1.00 0.00 C ATOM 1009 CE1 PHE B 17 6.095 5.903 -6.830 1.00 0.00 C ATOM 1010 CE2 PHE B 17 4.144 6.794 -7.964 1.00 0.00 C ATOM 1011 CZ PHE B 17 4.822 5.714 -7.381 1.00 0.00 C ATOM 0 H PHE B 17 8.375 11.081 -6.684 1.00 0.00 H new ATOM 0 HA PHE B 17 5.521 10.831 -6.079 1.00 0.00 H new ATOM 0 HB2 PHE B 17 6.215 10.219 -8.258 1.00 0.00 H new ATOM 0 HB3 PHE B 17 7.720 9.518 -7.697 1.00 0.00 H new ATOM 0 HD1 PHE B 17 7.669 7.315 -6.435 1.00 0.00 H new ATOM 0 HD2 PHE B 17 4.219 8.894 -8.442 1.00 0.00 H new ATOM 0 HE1 PHE B 17 6.619 5.072 -6.381 1.00 0.00 H new ATOM 0 HE2 PHE B 17 3.162 6.649 -8.390 1.00 0.00 H new ATOM 0 HZ PHE B 17 4.362 4.737 -7.357 1.00 0.00 H new ATOM 1021 N GLN B 18 7.704 8.954 -4.530 1.00 0.00 N ATOM 1022 CA GLN B 18 7.844 7.997 -3.395 1.00 0.00 C ATOM 1023 C GLN B 18 7.179 8.580 -2.150 1.00 0.00 C ATOM 1024 O GLN B 18 6.443 7.911 -1.454 1.00 0.00 O ATOM 1025 CB GLN B 18 9.348 7.854 -3.172 1.00 0.00 C ATOM 1026 CG GLN B 18 9.889 6.709 -4.029 1.00 0.00 C ATOM 1027 CD GLN B 18 11.324 6.390 -3.604 1.00 0.00 C ATOM 1028 OE1 GLN B 18 11.823 5.316 -3.874 1.00 0.00 O ATOM 1029 NE2 GLN B 18 12.014 7.282 -2.945 1.00 0.00 N ATOM 0 H GLN B 18 8.583 9.292 -4.921 1.00 0.00 H new ATOM 0 HA GLN B 18 7.373 7.036 -3.602 1.00 0.00 H new ATOM 0 HB2 GLN B 18 9.854 8.785 -3.430 1.00 0.00 H new ATOM 0 HB3 GLN B 18 9.553 7.661 -2.119 1.00 0.00 H new ATOM 0 HG2 GLN B 18 9.260 5.826 -3.915 1.00 0.00 H new ATOM 0 HG3 GLN B 18 9.863 6.985 -5.083 1.00 0.00 H new ATOM 0 HE21 GLN B 18 11.596 8.184 -2.718 1.00 0.00 H new ATOM 0 HE22 GLN B 18 12.971 7.076 -2.658 1.00 0.00 H new ATOM 1038 N THR B 19 7.429 9.828 -1.869 1.00 0.00 N ATOM 1039 CA THR B 19 6.801 10.459 -0.672 1.00 0.00 C ATOM 1040 C THR B 19 5.283 10.316 -0.765 1.00 0.00 C ATOM 1041 O THR B 19 4.602 10.134 0.225 1.00 0.00 O ATOM 1042 CB THR B 19 7.209 11.931 -0.730 1.00 0.00 C ATOM 1043 OG1 THR B 19 8.550 12.067 -0.286 1.00 0.00 O ATOM 1044 CG2 THR B 19 6.284 12.755 0.169 1.00 0.00 C ATOM 0 H THR B 19 8.039 10.438 -2.414 1.00 0.00 H new ATOM 0 HA THR B 19 7.118 9.996 0.263 1.00 0.00 H new ATOM 0 HB THR B 19 7.128 12.291 -1.756 1.00 0.00 H new ATOM 0 HG1 THR B 19 8.813 13.010 -0.324 1.00 0.00 H new ATOM 0 HG21 THR B 19 6.576 13.804 0.127 1.00 0.00 H new ATOM 0 HG22 THR B 19 5.255 12.650 -0.175 1.00 0.00 H new ATOM 0 HG23 THR B 19 6.362 12.398 1.196 1.00 0.00 H new ATOM 1052 N LYS B 20 4.750 10.376 -1.955 1.00 0.00 N ATOM 1053 CA LYS B 20 3.279 10.220 -2.117 1.00 0.00 C ATOM 1054 C LYS B 20 2.912 8.781 -1.778 1.00 0.00 C ATOM 1055 O LYS B 20 1.859 8.495 -1.244 1.00 0.00 O ATOM 1056 CB LYS B 20 3.003 10.518 -3.591 1.00 0.00 C ATOM 1057 CG LYS B 20 3.091 12.024 -3.833 1.00 0.00 C ATOM 1058 CD LYS B 20 1.693 12.575 -4.122 1.00 0.00 C ATOM 1059 CE LYS B 20 1.635 14.054 -3.736 1.00 0.00 C ATOM 1060 NZ LYS B 20 0.569 14.635 -4.600 1.00 0.00 N ATOM 0 H LYS B 20 5.270 10.526 -2.820 1.00 0.00 H new ATOM 0 HA LYS B 20 2.700 10.879 -1.471 1.00 0.00 H new ATOM 0 HB2 LYS B 20 3.724 9.995 -4.220 1.00 0.00 H new ATOM 0 HB3 LYS B 20 2.014 10.152 -3.868 1.00 0.00 H new ATOM 0 HG2 LYS B 20 3.516 12.519 -2.960 1.00 0.00 H new ATOM 0 HG3 LYS B 20 3.756 12.230 -4.672 1.00 0.00 H new ATOM 0 HD2 LYS B 20 1.455 12.455 -5.179 1.00 0.00 H new ATOM 0 HD3 LYS B 20 0.946 12.013 -3.561 1.00 0.00 H new ATOM 0 HE2 LYS B 20 1.398 14.177 -2.679 1.00 0.00 H new ATOM 0 HE3 LYS B 20 2.593 14.545 -3.907 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 0.469 15.649 -4.394 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 0.825 14.509 -5.600 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -0.333 14.153 -4.410 1.00 0.00 H new ATOM 1074 N VAL B 21 3.803 7.876 -2.071 1.00 0.00 N ATOM 1075 CA VAL B 21 3.558 6.445 -1.757 1.00 0.00 C ATOM 1076 C VAL B 21 3.811 6.217 -0.266 1.00 0.00 C ATOM 1077 O VAL B 21 3.380 5.239 0.311 1.00 0.00 O ATOM 1078 CB VAL B 21 4.577 5.686 -2.614 1.00 0.00 C ATOM 1079 CG1 VAL B 21 4.935 4.351 -1.956 1.00 0.00 C ATOM 1080 CG2 VAL B 21 3.980 5.424 -3.996 1.00 0.00 C ATOM 0 H VAL B 21 4.699 8.071 -2.519 1.00 0.00 H new ATOM 0 HA VAL B 21 2.539 6.118 -1.966 1.00 0.00 H new ATOM 0 HB VAL B 21 5.480 6.289 -2.707 1.00 0.00 H new ATOM 0 HG11 VAL B 21 5.660 3.823 -2.576 1.00 0.00 H new ATOM 0 HG12 VAL B 21 5.365 4.534 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL B 21 4.036 3.744 -1.852 1.00 0.00 H new ATOM 0 HG21 VAL B 21 4.703 4.884 -4.608 1.00 0.00 H new ATOM 0 HG22 VAL B 21 3.074 4.827 -3.894 1.00 0.00 H new ATOM 0 HG23 VAL B 21 3.737 6.373 -4.473 1.00 0.00 H new ATOM 1090 N GLU B 22 4.505 7.128 0.359 1.00 0.00 N ATOM 1091 CA GLU B 22 4.790 6.993 1.813 1.00 0.00 C ATOM 1092 C GLU B 22 3.526 7.318 2.610 1.00 0.00 C ATOM 1093 O GLU B 22 3.149 6.607 3.523 1.00 0.00 O ATOM 1094 CB GLU B 22 5.891 8.022 2.084 1.00 0.00 C ATOM 1095 CG GLU B 22 7.262 7.369 1.893 1.00 0.00 C ATOM 1096 CD GLU B 22 8.334 8.218 2.577 1.00 0.00 C ATOM 1097 OE1 GLU B 22 8.257 8.374 3.785 1.00 0.00 O ATOM 1098 OE2 GLU B 22 9.216 8.696 1.883 1.00 0.00 O ATOM 0 H GLU B 22 4.889 7.965 -0.079 1.00 0.00 H new ATOM 0 HA GLU B 22 5.098 5.988 2.101 1.00 0.00 H new ATOM 0 HB2 GLU B 22 5.784 8.871 1.408 1.00 0.00 H new ATOM 0 HB3 GLU B 22 5.799 8.409 3.099 1.00 0.00 H new ATOM 0 HG2 GLU B 22 7.258 6.363 2.312 1.00 0.00 H new ATOM 0 HG3 GLU B 22 7.485 7.271 0.830 1.00 0.00 H new ATOM 1105 N GLU B 23 2.857 8.382 2.257 1.00 0.00 N ATOM 1106 CA GLU B 23 1.609 8.752 2.978 1.00 0.00 C ATOM 1107 C GLU B 23 0.477 7.808 2.570 1.00 0.00 C ATOM 1108 O GLU B 23 -0.380 7.473 3.361 1.00 0.00 O ATOM 1109 CB GLU B 23 1.305 10.182 2.533 1.00 0.00 C ATOM 1110 CG GLU B 23 0.979 10.195 1.039 1.00 0.00 C ATOM 1111 CD GLU B 23 0.846 11.640 0.555 1.00 0.00 C ATOM 1112 OE1 GLU B 23 1.850 12.202 0.151 1.00 0.00 O ATOM 1113 OE2 GLU B 23 -0.257 12.160 0.601 1.00 0.00 O ATOM 0 H GLU B 23 3.123 9.011 1.499 1.00 0.00 H new ATOM 0 HA GLU B 23 1.713 8.679 4.061 1.00 0.00 H new ATOM 0 HB2 GLU B 23 0.465 10.580 3.102 1.00 0.00 H new ATOM 0 HB3 GLU B 23 2.161 10.826 2.735 1.00 0.00 H new ATOM 0 HG2 GLU B 23 1.764 9.685 0.481 1.00 0.00 H new ATOM 0 HG3 GLU B 23 0.052 9.652 0.854 1.00 0.00 H new ATOM 1120 N LEU B 24 0.475 7.370 1.340 1.00 0.00 N ATOM 1121 CA LEU B 24 -0.596 6.439 0.886 1.00 0.00 C ATOM 1122 C LEU B 24 -0.445 5.099 1.606 1.00 0.00 C ATOM 1123 O LEU B 24 -1.396 4.552 2.129 1.00 0.00 O ATOM 1124 CB LEU B 24 -0.372 6.273 -0.617 1.00 0.00 C ATOM 1125 CG LEU B 24 -1.710 6.007 -1.311 1.00 0.00 C ATOM 1126 CD1 LEU B 24 -2.490 4.944 -0.535 1.00 0.00 C ATOM 1127 CD2 LEU B 24 -2.524 7.302 -1.359 1.00 0.00 C ATOM 0 H LEU B 24 1.167 7.616 0.632 1.00 0.00 H new ATOM 0 HA LEU B 24 -1.597 6.813 1.101 1.00 0.00 H new ATOM 0 HB2 LEU B 24 0.089 7.171 -1.027 1.00 0.00 H new ATOM 0 HB3 LEU B 24 0.316 5.448 -0.803 1.00 0.00 H new ATOM 0 HG LEU B 24 -1.527 5.652 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -3.442 4.757 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -1.911 4.021 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -2.673 5.296 0.480 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -3.477 7.114 -1.853 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -2.705 7.656 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.971 8.059 -1.914 1.00 0.00 H new ATOM 1139 N ILE B 25 0.749 4.569 1.645 1.00 0.00 N ATOM 1140 CA ILE B 25 0.963 3.270 2.343 1.00 0.00 C ATOM 1141 C ILE B 25 0.524 3.403 3.806 1.00 0.00 C ATOM 1142 O ILE B 25 -0.063 2.504 4.372 1.00 0.00 O ATOM 1143 CB ILE B 25 2.476 2.994 2.216 1.00 0.00 C ATOM 1144 CG1 ILE B 25 2.708 1.895 1.172 1.00 0.00 C ATOM 1145 CG2 ILE B 25 3.063 2.533 3.559 1.00 0.00 C ATOM 1146 CD1 ILE B 25 1.824 2.143 -0.055 1.00 0.00 C ATOM 0 H ILE B 25 1.583 4.979 1.224 1.00 0.00 H new ATOM 0 HA ILE B 25 0.384 2.450 1.919 1.00 0.00 H new ATOM 0 HB ILE B 25 2.969 3.918 1.912 1.00 0.00 H new ATOM 0 HG12 ILE B 25 3.757 1.878 0.877 1.00 0.00 H new ATOM 0 HG13 ILE B 25 2.482 0.919 1.602 1.00 0.00 H new ATOM 0 HG21 ILE B 25 4.130 2.345 3.444 1.00 0.00 H new ATOM 0 HG22 ILE B 25 2.910 3.309 4.309 1.00 0.00 H new ATOM 0 HG23 ILE B 25 2.565 1.617 3.878 1.00 0.00 H new ATOM 0 HD11 ILE B 25 1.995 1.358 -0.791 1.00 0.00 H new ATOM 0 HD12 ILE B 25 0.776 2.137 0.245 1.00 0.00 H new ATOM 0 HD13 ILE B 25 2.071 3.110 -0.492 1.00 0.00 H new ATOM 1158 N ASN B 26 0.804 4.520 4.421 1.00 0.00 N ATOM 1159 CA ASN B 26 0.393 4.701 5.841 1.00 0.00 C ATOM 1160 C ASN B 26 -1.130 4.688 5.935 1.00 0.00 C ATOM 1161 O ASN B 26 -1.709 4.051 6.791 1.00 0.00 O ATOM 1162 CB ASN B 26 0.951 6.064 6.247 1.00 0.00 C ATOM 1163 CG ASN B 26 1.171 6.092 7.759 1.00 0.00 C ATOM 1164 OD1 ASN B 26 1.710 5.160 8.323 1.00 0.00 O ATOM 1165 ND2 ASN B 26 0.774 7.128 8.444 1.00 0.00 N ATOM 0 H ASN B 26 1.296 5.310 4.004 1.00 0.00 H new ATOM 0 HA ASN B 26 0.764 3.909 6.492 1.00 0.00 H new ATOM 0 HB2 ASN B 26 1.891 6.254 5.728 1.00 0.00 H new ATOM 0 HB3 ASN B 26 0.260 6.854 5.954 1.00 0.00 H new ATOM 0 HD21 ASN B 26 0.916 7.157 9.454 1.00 0.00 H new ATOM 0 HD22 ASN B 26 0.322 7.910 7.970 1.00 0.00 H new ATOM 1172 N THR B 27 -1.778 5.382 5.047 1.00 0.00 N ATOM 1173 CA THR B 27 -3.266 5.418 5.053 1.00 0.00 C ATOM 1174 C THR B 27 -3.826 4.009 4.861 1.00 0.00 C ATOM 1175 O THR B 27 -4.876 3.675 5.369 1.00 0.00 O ATOM 1176 CB THR B 27 -3.633 6.299 3.862 1.00 0.00 C ATOM 1177 OG1 THR B 27 -3.287 7.647 4.144 1.00 0.00 O ATOM 1178 CG2 THR B 27 -5.133 6.198 3.590 1.00 0.00 C ATOM 0 H THR B 27 -1.338 5.932 4.309 1.00 0.00 H new ATOM 0 HA THR B 27 -3.671 5.798 5.991 1.00 0.00 H new ATOM 0 HB THR B 27 -3.086 5.963 2.981 1.00 0.00 H new ATOM 0 HG1 THR B 27 -2.342 7.794 3.930 1.00 0.00 H new ATOM 0 HG21 THR B 27 -5.392 6.828 2.739 1.00 0.00 H new ATOM 0 HG22 THR B 27 -5.394 5.163 3.368 1.00 0.00 H new ATOM 0 HG23 THR B 27 -5.685 6.530 4.469 1.00 0.00 H new ATOM 1186 N LEU B 28 -3.132 3.179 4.132 1.00 0.00 N ATOM 1187 CA LEU B 28 -3.629 1.791 3.912 1.00 0.00 C ATOM 1188 C LEU B 28 -3.476 0.983 5.199 1.00 0.00 C ATOM 1189 O LEU B 28 -4.393 0.324 5.645 1.00 0.00 O ATOM 1190 CB LEU B 28 -2.741 1.220 2.805 1.00 0.00 C ATOM 1191 CG LEU B 28 -3.193 1.772 1.450 1.00 0.00 C ATOM 1192 CD1 LEU B 28 -1.986 1.901 0.519 1.00 0.00 C ATOM 1193 CD2 LEU B 28 -4.212 0.817 0.829 1.00 0.00 C ATOM 0 H LEU B 28 -2.245 3.401 3.680 1.00 0.00 H new ATOM 0 HA LEU B 28 -4.683 1.761 3.635 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -1.699 1.484 2.988 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -2.799 0.132 2.803 1.00 0.00 H new ATOM 0 HG LEU B 28 -3.647 2.753 1.592 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -2.310 2.294 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -1.257 2.580 0.961 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -1.530 0.921 0.376 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -4.536 1.207 -0.136 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -3.755 -0.162 0.689 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -5.074 0.724 1.490 1.00 0.00 H new ATOM 1205 N GLN B 29 -2.326 1.047 5.807 1.00 0.00 N ATOM 1206 CA GLN B 29 -2.109 0.306 7.075 1.00 0.00 C ATOM 1207 C GLN B 29 -2.968 0.931 8.173 1.00 0.00 C ATOM 1208 O GLN B 29 -3.173 0.360 9.226 1.00 0.00 O ATOM 1209 CB GLN B 29 -0.624 0.492 7.372 1.00 0.00 C ATOM 1210 CG GLN B 29 -0.105 -0.699 8.179 1.00 0.00 C ATOM 1211 CD GLN B 29 0.927 -0.213 9.197 1.00 0.00 C ATOM 1212 OE1 GLN B 29 0.580 0.156 10.302 1.00 0.00 O ATOM 1213 NE2 GLN B 29 2.190 -0.195 8.872 1.00 0.00 N ATOM 0 H GLN B 29 -1.524 1.584 5.477 1.00 0.00 H new ATOM 0 HA GLN B 29 -2.380 -0.748 7.014 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -0.066 0.583 6.440 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -0.468 1.416 7.929 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -0.931 -1.193 8.690 1.00 0.00 H new ATOM 0 HG3 GLN B 29 0.344 -1.435 7.513 1.00 0.00 H new ATOM 0 HE21 GLN B 29 2.483 -0.504 7.945 1.00 0.00 H new ATOM 0 HE22 GLN B 29 2.885 0.128 9.545 1.00 0.00 H new ATOM 1222 N GLN B 30 -3.482 2.103 7.920 1.00 0.00 N ATOM 1223 CA GLN B 30 -4.343 2.783 8.926 1.00 0.00 C ATOM 1224 C GLN B 30 -5.762 2.237 8.819 1.00 0.00 C ATOM 1225 O GLN B 30 -6.358 1.814 9.791 1.00 0.00 O ATOM 1226 CB GLN B 30 -4.301 4.259 8.539 1.00 0.00 C ATOM 1227 CG GLN B 30 -2.984 4.863 9.017 1.00 0.00 C ATOM 1228 CD GLN B 30 -3.256 5.846 10.157 1.00 0.00 C ATOM 1229 OE1 GLN B 30 -4.368 6.303 10.327 1.00 0.00 O ATOM 1230 NE2 GLN B 30 -2.279 6.190 10.950 1.00 0.00 N ATOM 0 H GLN B 30 -3.341 2.622 7.053 1.00 0.00 H new ATOM 0 HA GLN B 30 -4.009 2.627 9.952 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -4.394 4.367 7.458 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -5.142 4.789 8.986 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -2.312 4.074 9.355 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -2.486 5.374 8.193 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -1.345 5.805 10.806 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -2.449 6.844 11.714 1.00 0.00 H new ATOM 1239 N LYS B 31 -6.298 2.225 7.632 1.00 0.00 N ATOM 1240 CA LYS B 31 -7.668 1.682 7.443 1.00 0.00 C ATOM 1241 C LYS B 31 -7.640 0.176 7.699 1.00 0.00 C ATOM 1242 O LYS B 31 -8.657 -0.455 7.905 1.00 0.00 O ATOM 1243 CB LYS B 31 -8.017 1.984 5.984 1.00 0.00 C ATOM 1244 CG LYS B 31 -8.955 3.191 5.926 1.00 0.00 C ATOM 1245 CD LYS B 31 -9.261 3.536 4.469 1.00 0.00 C ATOM 1246 CE LYS B 31 -10.025 4.860 4.410 1.00 0.00 C ATOM 1247 NZ LYS B 31 -11.449 4.495 4.655 1.00 0.00 N ATOM 0 H LYS B 31 -5.845 2.568 6.785 1.00 0.00 H new ATOM 0 HA LYS B 31 -8.402 2.118 8.121 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.109 2.187 5.416 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.493 1.117 5.525 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -9.880 2.971 6.460 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -8.495 4.045 6.423 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -8.335 3.612 3.900 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -9.852 2.742 4.012 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -9.662 5.559 5.163 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -9.903 5.343 3.441 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -12.039 5.351 4.613 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -11.764 3.821 3.929 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -11.539 4.059 5.595 1.00 0.00 H new ATOM 1261 N LEU B 32 -6.467 -0.399 7.699 1.00 0.00 N ATOM 1262 CA LEU B 32 -6.341 -1.857 7.952 1.00 0.00 C ATOM 1263 C LEU B 32 -6.370 -2.124 9.459 1.00 0.00 C ATOM 1264 O LEU B 32 -7.095 -2.976 9.934 1.00 0.00 O ATOM 1265 CB LEU B 32 -4.984 -2.233 7.357 1.00 0.00 C ATOM 1266 CG LEU B 32 -4.966 -3.717 7.000 1.00 0.00 C ATOM 1267 CD1 LEU B 32 -6.177 -4.053 6.129 1.00 0.00 C ATOM 1268 CD2 LEU B 32 -3.681 -4.033 6.231 1.00 0.00 C ATOM 0 H LEU B 32 -5.585 0.086 7.533 1.00 0.00 H new ATOM 0 HA LEU B 32 -7.152 -2.438 7.512 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -4.789 -1.634 6.468 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -4.190 -2.012 8.071 1.00 0.00 H new ATOM 0 HG LEU B 32 -5.005 -4.312 7.913 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -6.160 -5.113 5.876 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -7.092 -3.824 6.675 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -6.143 -3.461 5.214 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -3.662 -5.092 5.973 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -3.647 -3.437 5.319 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -2.817 -3.796 6.852 1.00 0.00 H new ATOM 1280 N GLU B 33 -5.599 -1.393 10.219 1.00 0.00 N ATOM 1281 CA GLU B 33 -5.603 -1.603 11.696 1.00 0.00 C ATOM 1282 C GLU B 33 -6.956 -1.176 12.261 1.00 0.00 C ATOM 1283 O GLU B 33 -7.348 -1.575 13.339 1.00 0.00 O ATOM 1284 CB GLU B 33 -4.480 -0.714 12.236 1.00 0.00 C ATOM 1285 CG GLU B 33 -4.439 -0.810 13.763 1.00 0.00 C ATOM 1286 CD GLU B 33 -3.025 -0.501 14.258 1.00 0.00 C ATOM 1287 OE1 GLU B 33 -2.261 0.067 13.494 1.00 0.00 O ATOM 1288 OE2 GLU B 33 -2.729 -0.838 15.393 1.00 0.00 O ATOM 0 H GLU B 33 -4.970 -0.664 9.884 1.00 0.00 H new ATOM 0 HA GLU B 33 -5.447 -2.645 11.974 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -3.523 -1.024 11.816 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -4.642 0.320 11.931 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -5.150 -0.109 14.201 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -4.737 -1.808 14.083 1.00 0.00 H new ATOM 1295 N ALA B 34 -7.684 -0.388 11.520 1.00 0.00 N ATOM 1296 CA ALA B 34 -9.027 0.044 11.983 1.00 0.00 C ATOM 1297 C ALA B 34 -10.044 -0.973 11.483 1.00 0.00 C ATOM 1298 O ALA B 34 -11.029 -1.268 12.131 1.00 0.00 O ATOM 1299 CB ALA B 34 -9.256 1.411 11.336 1.00 0.00 C ATOM 0 H ALA B 34 -7.403 -0.024 10.609 1.00 0.00 H new ATOM 0 HA ALA B 34 -9.116 0.110 13.067 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -10.232 1.795 11.633 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -8.479 2.103 11.662 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -9.220 1.311 10.251 1.00 0.00 H new ATOM 1305 N VAL B 35 -9.785 -1.530 10.332 1.00 0.00 N ATOM 1306 CA VAL B 35 -10.701 -2.555 9.774 1.00 0.00 C ATOM 1307 C VAL B 35 -10.700 -3.768 10.708 1.00 0.00 C ATOM 1308 O VAL B 35 -11.717 -4.393 10.936 1.00 0.00 O ATOM 1309 CB VAL B 35 -10.109 -2.888 8.395 1.00 0.00 C ATOM 1310 CG1 VAL B 35 -10.221 -4.386 8.106 1.00 0.00 C ATOM 1311 CG2 VAL B 35 -10.867 -2.112 7.318 1.00 0.00 C ATOM 0 H VAL B 35 -8.973 -1.316 9.754 1.00 0.00 H new ATOM 0 HA VAL B 35 -11.736 -2.227 9.682 1.00 0.00 H new ATOM 0 HB VAL B 35 -9.056 -2.607 8.391 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -9.796 -4.600 7.125 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -9.677 -4.945 8.867 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -11.270 -4.682 8.119 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -10.449 -2.346 6.339 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -11.920 -2.393 7.340 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -10.773 -1.042 7.506 1.00 0.00 H new ATOM 1321 N ALA B 36 -9.563 -4.092 11.267 1.00 0.00 N ATOM 1322 CA ALA B 36 -9.503 -5.246 12.202 1.00 0.00 C ATOM 1323 C ALA B 36 -10.200 -4.861 13.505 1.00 0.00 C ATOM 1324 O ALA B 36 -10.738 -5.693 14.209 1.00 0.00 O ATOM 1325 CB ALA B 36 -8.012 -5.497 12.434 1.00 0.00 C ATOM 0 H ALA B 36 -8.678 -3.607 11.115 1.00 0.00 H new ATOM 0 HA ALA B 36 -9.996 -6.138 11.814 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -7.886 -6.337 13.117 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -7.529 -5.726 11.484 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -7.556 -4.607 12.867 1.00 0.00 H new ATOM 1331 N LYS B 37 -10.202 -3.593 13.821 1.00 0.00 N ATOM 1332 CA LYS B 37 -10.876 -3.137 15.068 1.00 0.00 C ATOM 1333 C LYS B 37 -12.384 -3.085 14.843 1.00 0.00 C ATOM 1334 O LYS B 37 -13.162 -3.048 15.775 1.00 0.00 O ATOM 1335 CB LYS B 37 -10.318 -1.740 15.336 1.00 0.00 C ATOM 1336 CG LYS B 37 -9.228 -1.819 16.405 1.00 0.00 C ATOM 1337 CD LYS B 37 -8.104 -0.841 16.054 1.00 0.00 C ATOM 1338 CE LYS B 37 -7.662 -0.094 17.313 1.00 0.00 C ATOM 1339 NZ LYS B 37 -6.838 -1.075 18.074 1.00 0.00 N ATOM 0 H LYS B 37 -9.766 -2.855 13.269 1.00 0.00 H new ATOM 0 HA LYS B 37 -10.698 -3.805 15.911 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -9.910 -1.318 14.417 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -11.117 -1.075 15.665 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -9.644 -1.577 17.383 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -8.836 -2.834 16.467 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -7.260 -1.380 15.624 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -8.447 -0.132 15.300 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -7.085 0.796 17.062 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -8.520 0.238 17.897 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -7.198 -1.151 19.047 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -6.891 -2.005 17.612 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -5.849 -0.755 18.095 1.00 0.00 H new ATOM 1353 N ARG B 38 -12.805 -3.101 13.610 1.00 0.00 N ATOM 1354 CA ARG B 38 -14.261 -3.082 13.328 1.00 0.00 C ATOM 1355 C ARG B 38 -14.763 -4.523 13.316 1.00 0.00 C ATOM 1356 O ARG B 38 -15.816 -4.839 13.842 1.00 0.00 O ATOM 1357 CB ARG B 38 -14.392 -2.443 11.947 1.00 0.00 C ATOM 1358 CG ARG B 38 -13.904 -0.994 12.010 1.00 0.00 C ATOM 1359 CD ARG B 38 -15.021 -0.098 12.553 1.00 0.00 C ATOM 1360 NE ARG B 38 -15.309 0.869 11.456 1.00 0.00 N ATOM 1361 CZ ARG B 38 -16.333 1.674 11.546 1.00 0.00 C ATOM 1362 NH1 ARG B 38 -17.517 1.195 11.812 1.00 0.00 N ATOM 1363 NH2 ARG B 38 -16.174 2.958 11.370 1.00 0.00 N ATOM 0 H ARG B 38 -12.202 -3.126 12.788 1.00 0.00 H new ATOM 0 HA ARG B 38 -14.842 -2.530 14.067 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -13.808 -3.004 11.218 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -15.430 -2.475 11.616 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -13.024 -0.924 12.650 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -13.604 -0.657 11.018 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -15.906 -0.681 12.807 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -14.707 0.417 13.461 1.00 0.00 H new ATOM 0 HE ARG B 38 -14.706 0.902 10.634 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -17.642 0.192 11.950 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -18.317 1.823 11.882 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -15.249 3.334 11.162 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -16.975 3.585 11.441 1.00 0.00 H new ATOM 1377 N ILE B 39 -13.995 -5.408 12.744 1.00 0.00 N ATOM 1378 CA ILE B 39 -14.404 -6.836 12.722 1.00 0.00 C ATOM 1379 C ILE B 39 -14.453 -7.357 14.152 1.00 0.00 C ATOM 1380 O ILE B 39 -15.375 -8.042 14.535 1.00 0.00 O ATOM 1381 CB ILE B 39 -13.329 -7.568 11.915 1.00 0.00 C ATOM 1382 CG1 ILE B 39 -13.436 -7.152 10.441 1.00 0.00 C ATOM 1383 CG2 ILE B 39 -13.539 -9.082 12.048 1.00 0.00 C ATOM 1384 CD1 ILE B 39 -12.790 -8.209 9.541 1.00 0.00 C ATOM 0 H ILE B 39 -13.104 -5.203 12.292 1.00 0.00 H new ATOM 0 HA ILE B 39 -15.388 -6.983 12.278 1.00 0.00 H new ATOM 0 HB ILE B 39 -12.339 -7.309 12.292 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -14.483 -7.023 10.168 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -12.947 -6.189 10.292 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -12.775 -9.607 11.474 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -13.466 -9.369 13.097 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -14.525 -9.347 11.667 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -12.874 -7.900 8.499 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -11.738 -8.317 9.804 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -13.298 -9.164 9.678 1.00 0.00 H new ATOM 1396 N GLU B 40 -13.476 -7.019 14.951 1.00 0.00 N ATOM 1397 CA GLU B 40 -13.489 -7.483 16.364 1.00 0.00 C ATOM 1398 C GLU B 40 -14.748 -6.943 17.033 1.00 0.00 C ATOM 1399 O GLU B 40 -15.306 -7.547 17.927 1.00 0.00 O ATOM 1400 CB GLU B 40 -12.228 -6.890 16.997 1.00 0.00 C ATOM 1401 CG GLU B 40 -12.418 -5.391 17.223 1.00 0.00 C ATOM 1402 CD GLU B 40 -13.059 -5.156 18.591 1.00 0.00 C ATOM 1403 OE1 GLU B 40 -12.676 -5.836 19.530 1.00 0.00 O ATOM 1404 OE2 GLU B 40 -13.921 -4.298 18.680 1.00 0.00 O ATOM 0 H GLU B 40 -12.675 -6.445 14.686 1.00 0.00 H new ATOM 0 HA GLU B 40 -13.496 -8.568 16.465 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -12.018 -7.386 17.945 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -11.369 -7.063 16.349 1.00 0.00 H new ATOM 0 HG2 GLU B 40 -11.457 -4.880 17.168 1.00 0.00 H new ATOM 0 HG3 GLU B 40 -13.048 -4.972 16.438 1.00 0.00 H new ATOM 1411 N ALA B 41 -15.214 -5.815 16.573 1.00 0.00 N ATOM 1412 CA ALA B 41 -16.458 -5.236 17.145 1.00 0.00 C ATOM 1413 C ALA B 41 -17.607 -6.201 16.875 1.00 0.00 C ATOM 1414 O ALA B 41 -18.433 -6.462 17.728 1.00 0.00 O ATOM 1415 CB ALA B 41 -16.671 -3.918 16.401 1.00 0.00 C ATOM 0 H ALA B 41 -14.785 -5.270 15.825 1.00 0.00 H new ATOM 0 HA ALA B 41 -16.400 -5.072 18.221 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -17.574 -3.433 16.771 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -15.814 -3.265 16.566 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -16.777 -4.115 15.334 1.00 0.00 H new ATOM 1421 N LEU B 42 -17.645 -6.757 15.695 1.00 0.00 N ATOM 1422 CA LEU B 42 -18.719 -7.735 15.373 1.00 0.00 C ATOM 1423 C LEU B 42 -18.432 -9.036 16.116 1.00 0.00 C ATOM 1424 O LEU B 42 -19.325 -9.783 16.445 1.00 0.00 O ATOM 1425 CB LEU B 42 -18.641 -7.954 13.856 1.00 0.00 C ATOM 1426 CG LEU B 42 -19.108 -6.708 13.076 1.00 0.00 C ATOM 1427 CD1 LEU B 42 -19.831 -5.708 13.989 1.00 0.00 C ATOM 1428 CD2 LEU B 42 -17.888 -6.034 12.454 1.00 0.00 C ATOM 0 H LEU B 42 -16.980 -6.576 14.943 1.00 0.00 H new ATOM 0 HA LEU B 42 -19.709 -7.386 15.667 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -17.616 -8.196 13.575 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -19.258 -8.809 13.579 1.00 0.00 H new ATOM 0 HG LEU B 42 -19.810 -7.025 12.305 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -20.145 -4.843 13.405 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -20.706 -6.185 14.430 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -19.156 -5.385 14.781 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -18.204 -5.151 11.899 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -17.194 -5.739 13.241 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -17.393 -6.730 11.777 1.00 0.00 H new ATOM 1440 N GLU B 43 -17.184 -9.296 16.397 1.00 0.00 N ATOM 1441 CA GLU B 43 -16.829 -10.536 17.136 1.00 0.00 C ATOM 1442 C GLU B 43 -17.293 -10.408 18.581 1.00 0.00 C ATOM 1443 O GLU B 43 -17.406 -11.379 19.303 1.00 0.00 O ATOM 1444 CB GLU B 43 -15.308 -10.610 17.058 1.00 0.00 C ATOM 1445 CG GLU B 43 -14.899 -10.689 15.592 1.00 0.00 C ATOM 1446 CD GLU B 43 -13.885 -11.818 15.399 1.00 0.00 C ATOM 1447 OE1 GLU B 43 -12.702 -11.557 15.538 1.00 0.00 O ATOM 1448 OE2 GLU B 43 -14.310 -12.926 15.112 1.00 0.00 O ATOM 0 H GLU B 43 -16.395 -8.701 16.145 1.00 0.00 H new ATOM 0 HA GLU B 43 -17.296 -11.431 16.724 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -14.862 -9.734 17.528 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -14.944 -11.483 17.600 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -15.776 -10.865 14.969 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -14.466 -9.740 15.274 1.00 0.00 H new ATOM 1455 N ASN B 44 -17.584 -9.210 18.999 1.00 0.00 N ATOM 1456 CA ASN B 44 -18.066 -9.004 20.391 1.00 0.00 C ATOM 1457 C ASN B 44 -19.522 -9.455 20.482 1.00 0.00 C ATOM 1458 O ASN B 44 -20.053 -9.683 21.550 1.00 0.00 O ATOM 1459 CB ASN B 44 -17.947 -7.499 20.643 1.00 0.00 C ATOM 1460 CG ASN B 44 -16.484 -7.142 20.920 1.00 0.00 C ATOM 1461 OD1 ASN B 44 -15.882 -6.380 20.188 1.00 0.00 O ATOM 1462 ND2 ASN B 44 -15.882 -7.666 21.953 1.00 0.00 N ATOM 0 H ASN B 44 -17.509 -8.363 18.436 1.00 0.00 H new ATOM 0 HA ASN B 44 -17.496 -9.572 21.126 1.00 0.00 H new ATOM 0 HB2 ASN B 44 -18.310 -6.945 19.778 1.00 0.00 H new ATOM 0 HB3 ASN B 44 -18.569 -7.211 21.490 1.00 0.00 H new ATOM 0 HD21 ASN B 44 -14.907 -7.436 22.146 1.00 0.00 H new ATOM 0 HD22 ASN B 44 -16.387 -8.305 22.567 1.00 0.00 H new ATOM 1469 N LYS B 45 -20.165 -9.594 19.354 1.00 0.00 N ATOM 1470 CA LYS B 45 -21.585 -10.041 19.349 1.00 0.00 C ATOM 1471 C LYS B 45 -21.687 -11.427 18.707 1.00 0.00 C ATOM 1472 O LYS B 45 -22.641 -12.150 18.916 1.00 0.00 O ATOM 1473 CB LYS B 45 -22.329 -9.001 18.507 1.00 0.00 C ATOM 1474 CG LYS B 45 -22.518 -7.718 19.320 1.00 0.00 C ATOM 1475 CD LYS B 45 -21.151 -7.136 19.688 1.00 0.00 C ATOM 1476 CE LYS B 45 -21.237 -5.608 19.725 1.00 0.00 C ATOM 1477 NZ LYS B 45 -21.441 -5.269 21.162 1.00 0.00 N ATOM 0 H LYS B 45 -19.765 -9.416 18.433 1.00 0.00 H new ATOM 0 HA LYS B 45 -22.002 -10.118 20.353 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -21.768 -8.787 17.597 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -23.298 -9.394 18.199 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -23.090 -6.991 18.743 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -23.090 -7.929 20.224 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -20.832 -7.516 20.659 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -20.403 -7.451 18.961 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -20.326 -5.152 19.337 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -22.062 -5.244 19.112 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -21.510 -4.237 21.269 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -22.319 -5.711 21.502 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -20.637 -5.622 21.719 1.00 0.00 H new ATOM 1491 N ILE B 46 -20.705 -11.809 17.928 1.00 0.00 N ATOM 1492 CA ILE B 46 -20.752 -13.152 17.281 1.00 0.00 C ATOM 1493 C ILE B 46 -19.905 -14.143 18.083 1.00 0.00 C ATOM 1494 O ILE B 46 -19.987 -15.341 17.892 1.00 0.00 O ATOM 1495 CB ILE B 46 -20.162 -12.961 15.875 1.00 0.00 C ATOM 1496 CG1 ILE B 46 -20.970 -11.925 15.071 1.00 0.00 C ATOM 1497 CG2 ILE B 46 -20.195 -14.296 15.130 1.00 0.00 C ATOM 1498 CD1 ILE B 46 -22.441 -11.930 15.506 1.00 0.00 C ATOM 0 H ILE B 46 -19.878 -11.251 17.714 1.00 0.00 H new ATOM 0 HA ILE B 46 -21.767 -13.547 17.236 1.00 0.00 H new ATOM 0 HB ILE B 46 -19.138 -12.603 15.979 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -20.545 -10.932 15.218 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -20.899 -12.148 14.006 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -19.777 -14.166 14.132 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -19.606 -15.032 15.677 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -21.225 -14.643 15.050 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -22.994 -11.191 14.926 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -22.867 -12.919 15.336 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -22.508 -11.684 16.566 1.00 0.00 H new ATOM 1641 N CYS C 9 21.990 11.806 -6.662 1.00 0.00 N ATOM 1642 CA CYS C 9 20.539 11.572 -6.904 1.00 0.00 C ATOM 1643 C CYS C 9 20.061 10.324 -6.154 1.00 0.00 C ATOM 1644 O CYS C 9 19.285 9.544 -6.670 1.00 0.00 O ATOM 1645 CB CYS C 9 20.426 11.364 -8.414 1.00 0.00 C ATOM 1646 SG CYS C 9 20.282 12.969 -9.239 1.00 0.00 S ATOM 0 HA CYS C 9 19.924 12.401 -6.553 1.00 0.00 H new ATOM 0 HB2 CYS C 9 21.302 10.831 -8.784 1.00 0.00 H new ATOM 0 HB3 CYS C 9 19.557 10.747 -8.642 1.00 0.00 H new ATOM 1651 N GLU C 10 20.511 10.132 -4.941 1.00 0.00 N ATOM 1652 CA GLU C 10 20.078 8.936 -4.162 1.00 0.00 C ATOM 1653 C GLU C 10 20.022 7.699 -5.064 1.00 0.00 C ATOM 1654 O GLU C 10 19.079 6.933 -5.024 1.00 0.00 O ATOM 1655 CB GLU C 10 18.683 9.291 -3.645 1.00 0.00 C ATOM 1656 CG GLU C 10 18.808 10.183 -2.410 1.00 0.00 C ATOM 1657 CD GLU C 10 18.570 11.641 -2.806 1.00 0.00 C ATOM 1658 OE1 GLU C 10 18.230 11.875 -3.954 1.00 0.00 O ATOM 1659 OE2 GLU C 10 18.731 12.500 -1.955 1.00 0.00 O ATOM 0 H GLU C 10 21.160 10.753 -4.457 1.00 0.00 H new ATOM 0 HA GLU C 10 20.768 8.699 -3.352 1.00 0.00 H new ATOM 0 HB2 GLU C 10 18.116 9.804 -4.421 1.00 0.00 H new ATOM 0 HB3 GLU C 10 18.134 8.383 -3.397 1.00 0.00 H new ATOM 0 HG2 GLU C 10 18.085 9.878 -1.654 1.00 0.00 H new ATOM 0 HG3 GLU C 10 19.798 10.072 -1.967 1.00 0.00 H new ATOM 1666 N CYS C 11 21.020 7.500 -5.880 1.00 0.00 N ATOM 1667 CA CYS C 11 21.019 6.317 -6.785 1.00 0.00 C ATOM 1668 C CYS C 11 20.649 5.049 -6.015 1.00 0.00 C ATOM 1669 O CYS C 11 20.081 4.125 -6.562 1.00 0.00 O ATOM 1670 CB CYS C 11 22.447 6.223 -7.319 1.00 0.00 C ATOM 1671 SG CYS C 11 22.578 7.171 -8.856 1.00 0.00 S ATOM 0 H CYS C 11 21.837 8.106 -5.959 1.00 0.00 H new ATOM 0 HA CYS C 11 20.288 6.419 -7.587 1.00 0.00 H new ATOM 0 HB2 CYS C 11 23.149 6.609 -6.580 1.00 0.00 H new ATOM 0 HB3 CYS C 11 22.712 5.181 -7.498 1.00 0.00 H new ATOM 0 HG CYS C 11 23.793 7.094 -9.311 1.00 0.00 H new ATOM 1676 N LYS C 12 20.966 4.996 -4.754 1.00 0.00 N ATOM 1677 CA LYS C 12 20.629 3.784 -3.955 1.00 0.00 C ATOM 1678 C LYS C 12 19.679 4.152 -2.812 1.00 0.00 C ATOM 1679 O LYS C 12 19.120 3.299 -2.157 1.00 0.00 O ATOM 1680 CB LYS C 12 21.968 3.292 -3.404 1.00 0.00 C ATOM 1681 CG LYS C 12 22.840 2.789 -4.557 1.00 0.00 C ATOM 1682 CD LYS C 12 24.182 3.526 -4.548 1.00 0.00 C ATOM 1683 CE LYS C 12 24.919 3.262 -5.863 1.00 0.00 C ATOM 1684 NZ LYS C 12 26.235 3.941 -5.707 1.00 0.00 N ATOM 0 H LYS C 12 21.443 5.737 -4.241 1.00 0.00 H new ATOM 0 HA LYS C 12 20.127 3.021 -4.550 1.00 0.00 H new ATOM 0 HB2 LYS C 12 22.475 4.100 -2.876 1.00 0.00 H new ATOM 0 HB3 LYS C 12 21.804 2.492 -2.682 1.00 0.00 H new ATOM 0 HG2 LYS C 12 23.003 1.716 -4.461 1.00 0.00 H new ATOM 0 HG3 LYS C 12 22.332 2.951 -5.508 1.00 0.00 H new ATOM 0 HD2 LYS C 12 24.020 4.596 -4.418 1.00 0.00 H new ATOM 0 HD3 LYS C 12 24.787 3.191 -3.706 1.00 0.00 H new ATOM 0 HE2 LYS C 12 25.044 2.193 -6.038 1.00 0.00 H new ATOM 0 HE3 LYS C 12 24.366 3.662 -6.713 1.00 0.00 H new ATOM 0 HZ1 LYS C 12 26.800 3.805 -6.570 1.00 0.00 H new ATOM 0 HZ2 LYS C 12 26.084 4.958 -5.548 1.00 0.00 H new ATOM 0 HZ3 LYS C 12 26.741 3.535 -4.894 1.00 0.00 H new ATOM 1698 N SER C 13 19.496 5.419 -2.569 1.00 0.00 N ATOM 1699 CA SER C 13 18.586 5.849 -1.466 1.00 0.00 C ATOM 1700 C SER C 13 17.121 5.750 -1.902 1.00 0.00 C ATOM 1701 O SER C 13 16.237 5.501 -1.105 1.00 0.00 O ATOM 1702 CB SER C 13 18.982 7.300 -1.192 1.00 0.00 C ATOM 1703 OG SER C 13 19.985 7.334 -0.187 1.00 0.00 O ATOM 0 H SER C 13 19.937 6.179 -3.087 1.00 0.00 H new ATOM 0 HA SER C 13 18.678 5.222 -0.579 1.00 0.00 H new ATOM 0 HB2 SER C 13 19.351 7.766 -2.105 1.00 0.00 H new ATOM 0 HB3 SER C 13 18.111 7.872 -0.872 1.00 0.00 H new ATOM 0 HG SER C 13 20.241 8.264 -0.012 1.00 0.00 H new ATOM 1709 N ILE C 14 16.861 5.940 -3.160 1.00 0.00 N ATOM 1710 CA ILE C 14 15.461 5.855 -3.666 1.00 0.00 C ATOM 1711 C ILE C 14 15.073 4.400 -3.887 1.00 0.00 C ATOM 1712 O ILE C 14 13.955 3.991 -3.643 1.00 0.00 O ATOM 1713 CB ILE C 14 15.508 6.570 -5.008 1.00 0.00 C ATOM 1714 CG1 ILE C 14 15.831 8.043 -4.786 1.00 0.00 C ATOM 1715 CG2 ILE C 14 14.160 6.438 -5.720 1.00 0.00 C ATOM 1716 CD1 ILE C 14 16.610 8.578 -5.988 1.00 0.00 C ATOM 0 H ILE C 14 17.562 6.153 -3.869 1.00 0.00 H new ATOM 0 HA ILE C 14 14.740 6.288 -2.972 1.00 0.00 H new ATOM 0 HB ILE C 14 16.281 6.117 -5.629 1.00 0.00 H new ATOM 0 HG12 ILE C 14 14.911 8.612 -4.652 1.00 0.00 H new ATOM 0 HG13 ILE C 14 16.417 8.165 -3.875 1.00 0.00 H new ATOM 0 HG21 ILE C 14 14.203 6.953 -6.680 1.00 0.00 H new ATOM 0 HG22 ILE C 14 13.937 5.384 -5.884 1.00 0.00 H new ATOM 0 HG23 ILE C 14 13.378 6.883 -5.104 1.00 0.00 H new ATOM 0 HD11 ILE C 14 16.842 9.631 -5.832 1.00 0.00 H new ATOM 0 HD12 ILE C 14 17.537 8.015 -6.101 1.00 0.00 H new ATOM 0 HD13 ILE C 14 16.007 8.469 -6.890 1.00 0.00 H new ATOM 1728 N VAL C 15 15.997 3.623 -4.365 1.00 0.00 N ATOM 1729 CA VAL C 15 15.706 2.189 -4.630 1.00 0.00 C ATOM 1730 C VAL C 15 15.811 1.402 -3.327 1.00 0.00 C ATOM 1731 O VAL C 15 15.186 0.370 -3.161 1.00 0.00 O ATOM 1732 CB VAL C 15 16.758 1.719 -5.650 1.00 0.00 C ATOM 1733 CG1 VAL C 15 16.130 0.669 -6.572 1.00 0.00 C ATOM 1734 CG2 VAL C 15 17.239 2.900 -6.505 1.00 0.00 C ATOM 0 H VAL C 15 16.948 3.919 -4.586 1.00 0.00 H new ATOM 0 HA VAL C 15 14.700 2.037 -5.022 1.00 0.00 H new ATOM 0 HB VAL C 15 17.606 1.296 -5.111 1.00 0.00 H new ATOM 0 HG11 VAL C 15 16.871 0.332 -7.297 1.00 0.00 H new ATOM 0 HG12 VAL C 15 15.791 -0.180 -5.979 1.00 0.00 H new ATOM 0 HG13 VAL C 15 15.281 1.107 -7.097 1.00 0.00 H new ATOM 0 HG21 VAL C 15 17.983 2.551 -7.222 1.00 0.00 H new ATOM 0 HG22 VAL C 15 16.393 3.330 -7.041 1.00 0.00 H new ATOM 0 HG23 VAL C 15 17.684 3.658 -5.861 1.00 0.00 H new ATOM 1744 N LYS C 16 16.561 1.898 -2.378 1.00 0.00 N ATOM 1745 CA LYS C 16 16.646 1.173 -1.080 1.00 0.00 C ATOM 1746 C LYS C 16 15.380 1.488 -0.299 1.00 0.00 C ATOM 1747 O LYS C 16 14.813 0.640 0.363 1.00 0.00 O ATOM 1748 CB LYS C 16 17.899 1.682 -0.362 1.00 0.00 C ATOM 1749 CG LYS C 16 17.707 3.130 0.083 1.00 0.00 C ATOM 1750 CD LYS C 16 16.982 3.156 1.428 1.00 0.00 C ATOM 1751 CE LYS C 16 17.954 3.605 2.521 1.00 0.00 C ATOM 1752 NZ LYS C 16 17.089 4.014 3.662 1.00 0.00 N ATOM 0 H LYS C 16 17.108 2.757 -2.444 1.00 0.00 H new ATOM 0 HA LYS C 16 16.721 0.092 -1.197 1.00 0.00 H new ATOM 0 HB2 LYS C 16 18.110 1.054 0.503 1.00 0.00 H new ATOM 0 HB3 LYS C 16 18.761 1.610 -1.026 1.00 0.00 H new ATOM 0 HG2 LYS C 16 18.673 3.627 0.169 1.00 0.00 H new ATOM 0 HG3 LYS C 16 17.132 3.678 -0.663 1.00 0.00 H new ATOM 0 HD2 LYS C 16 16.131 3.835 1.382 1.00 0.00 H new ATOM 0 HD3 LYS C 16 16.588 2.167 1.660 1.00 0.00 H new ATOM 0 HE2 LYS C 16 18.628 2.797 2.806 1.00 0.00 H new ATOM 0 HE3 LYS C 16 18.576 4.433 2.180 1.00 0.00 H new ATOM 0 HZ1 LYS C 16 17.685 4.335 4.452 1.00 0.00 H new ATOM 0 HZ2 LYS C 16 16.463 4.789 3.363 1.00 0.00 H new ATOM 0 HZ3 LYS C 16 16.514 3.204 3.969 1.00 0.00 H new ATOM 1766 N PHE C 17 14.896 2.692 -0.427 1.00 0.00 N ATOM 1767 CA PHE C 17 13.625 3.046 0.251 1.00 0.00 C ATOM 1768 C PHE C 17 12.510 2.249 -0.433 1.00 0.00 C ATOM 1769 O PHE C 17 11.526 1.879 0.175 1.00 0.00 O ATOM 1770 CB PHE C 17 13.453 4.557 0.031 1.00 0.00 C ATOM 1771 CG PHE C 17 11.981 4.904 -0.046 1.00 0.00 C ATOM 1772 CD1 PHE C 17 11.280 4.665 -1.232 1.00 0.00 C ATOM 1773 CD2 PHE C 17 11.321 5.451 1.061 1.00 0.00 C ATOM 1774 CE1 PHE C 17 9.920 4.975 -1.318 1.00 0.00 C ATOM 1775 CE2 PHE C 17 9.956 5.759 0.976 1.00 0.00 C ATOM 1776 CZ PHE C 17 9.257 5.521 -0.213 1.00 0.00 C ATOM 0 H PHE C 17 15.326 3.441 -0.970 1.00 0.00 H new ATOM 0 HA PHE C 17 13.608 2.818 1.317 1.00 0.00 H new ATOM 0 HB2 PHE C 17 13.923 5.107 0.846 1.00 0.00 H new ATOM 0 HB3 PHE C 17 13.955 4.859 -0.888 1.00 0.00 H new ATOM 0 HD1 PHE C 17 11.791 4.240 -2.083 1.00 0.00 H new ATOM 0 HD2 PHE C 17 11.862 5.635 1.978 1.00 0.00 H new ATOM 0 HE1 PHE C 17 9.381 4.793 -2.236 1.00 0.00 H new ATOM 0 HE2 PHE C 17 9.444 6.180 1.828 1.00 0.00 H new ATOM 0 HZ PHE C 17 8.206 5.759 -0.278 1.00 0.00 H new ATOM 1786 N GLN C 18 12.680 1.971 -1.702 1.00 0.00 N ATOM 1787 CA GLN C 18 11.652 1.182 -2.440 1.00 0.00 C ATOM 1788 C GLN C 18 11.519 -0.198 -1.800 1.00 0.00 C ATOM 1789 O GLN C 18 10.431 -0.685 -1.567 1.00 0.00 O ATOM 1790 CB GLN C 18 12.183 1.058 -3.869 1.00 0.00 C ATOM 1791 CG GLN C 18 11.679 2.234 -4.710 1.00 0.00 C ATOM 1792 CD GLN C 18 11.901 1.935 -6.195 1.00 0.00 C ATOM 1793 OE1 GLN C 18 11.277 2.535 -7.048 1.00 0.00 O ATOM 1794 NE2 GLN C 18 12.770 1.025 -6.545 1.00 0.00 N ATOM 0 H GLN C 18 13.487 2.257 -2.257 1.00 0.00 H new ATOM 0 HA GLN C 18 10.670 1.654 -2.419 1.00 0.00 H new ATOM 0 HB2 GLN C 18 13.273 1.044 -3.862 1.00 0.00 H new ATOM 0 HB3 GLN C 18 11.855 0.116 -4.309 1.00 0.00 H new ATOM 0 HG2 GLN C 18 10.620 2.405 -4.517 1.00 0.00 H new ATOM 0 HG3 GLN C 18 12.205 3.147 -4.430 1.00 0.00 H new ATOM 0 HE21 GLN C 18 13.295 0.520 -5.831 1.00 0.00 H new ATOM 0 HE22 GLN C 18 12.924 0.819 -7.532 1.00 0.00 H new ATOM 1803 N THR C 19 12.622 -0.823 -1.502 1.00 0.00 N ATOM 1804 CA THR C 19 12.564 -2.166 -0.859 1.00 0.00 C ATOM 1805 C THR C 19 11.751 -2.071 0.432 1.00 0.00 C ATOM 1806 O THR C 19 11.036 -2.984 0.797 1.00 0.00 O ATOM 1807 CB THR C 19 14.019 -2.525 -0.556 1.00 0.00 C ATOM 1808 OG1 THR C 19 14.658 -2.944 -1.753 1.00 0.00 O ATOM 1809 CG2 THR C 19 14.061 -3.655 0.473 1.00 0.00 C ATOM 0 H THR C 19 13.561 -0.464 -1.675 1.00 0.00 H new ATOM 0 HA THR C 19 12.090 -2.918 -1.490 1.00 0.00 H new ATOM 0 HB THR C 19 14.536 -1.653 -0.155 1.00 0.00 H new ATOM 0 HG1 THR C 19 15.592 -3.173 -1.562 1.00 0.00 H new ATOM 0 HG21 THR C 19 15.098 -3.912 0.690 1.00 0.00 H new ATOM 0 HG22 THR C 19 13.568 -3.331 1.390 1.00 0.00 H new ATOM 0 HG23 THR C 19 13.547 -4.529 0.074 1.00 0.00 H new ATOM 1817 N LYS C 20 11.841 -0.962 1.117 1.00 0.00 N ATOM 1818 CA LYS C 20 11.058 -0.799 2.372 1.00 0.00 C ATOM 1819 C LYS C 20 9.581 -0.712 2.013 1.00 0.00 C ATOM 1820 O LYS C 20 8.716 -1.149 2.744 1.00 0.00 O ATOM 1821 CB LYS C 20 11.546 0.515 2.984 1.00 0.00 C ATOM 1822 CG LYS C 20 12.903 0.289 3.654 1.00 0.00 C ATOM 1823 CD LYS C 20 12.730 0.316 5.174 1.00 0.00 C ATOM 1824 CE LYS C 20 13.850 -0.493 5.832 1.00 0.00 C ATOM 1825 NZ LYS C 20 14.029 0.125 7.175 1.00 0.00 N ATOM 0 H LYS C 20 12.423 -0.164 0.861 1.00 0.00 H new ATOM 0 HA LYS C 20 11.186 -1.627 3.069 1.00 0.00 H new ATOM 0 HB2 LYS C 20 11.632 1.279 2.212 1.00 0.00 H new ATOM 0 HB3 LYS C 20 10.823 0.880 3.714 1.00 0.00 H new ATOM 0 HG2 LYS C 20 13.320 -0.668 3.341 1.00 0.00 H new ATOM 0 HG3 LYS C 20 13.607 1.061 3.343 1.00 0.00 H new ATOM 0 HD2 LYS C 20 12.750 1.345 5.534 1.00 0.00 H new ATOM 0 HD3 LYS C 20 11.759 -0.098 5.447 1.00 0.00 H new ATOM 0 HE2 LYS C 20 13.581 -1.546 5.914 1.00 0.00 H new ATOM 0 HE3 LYS C 20 14.769 -0.443 5.248 1.00 0.00 H new ATOM 0 HZ1 LYS C 20 14.782 -0.375 7.690 1.00 0.00 H new ATOM 0 HZ2 LYS C 20 14.291 1.125 7.065 1.00 0.00 H new ATOM 0 HZ3 LYS C 20 13.140 0.057 7.710 1.00 0.00 H new ATOM 1839 N VAL C 21 9.298 -0.163 0.867 1.00 0.00 N ATOM 1840 CA VAL C 21 7.889 -0.055 0.414 1.00 0.00 C ATOM 1841 C VAL C 21 7.454 -1.407 -0.156 1.00 0.00 C ATOM 1842 O VAL C 21 6.282 -1.685 -0.304 1.00 0.00 O ATOM 1843 CB VAL C 21 7.918 1.028 -0.670 1.00 0.00 C ATOM 1844 CG1 VAL C 21 6.795 0.794 -1.684 1.00 0.00 C ATOM 1845 CG2 VAL C 21 7.732 2.397 -0.018 1.00 0.00 C ATOM 0 H VAL C 21 9.989 0.218 0.221 1.00 0.00 H new ATOM 0 HA VAL C 21 7.188 0.201 1.208 1.00 0.00 H new ATOM 0 HB VAL C 21 8.877 0.988 -1.187 1.00 0.00 H new ATOM 0 HG11 VAL C 21 6.827 1.570 -2.448 1.00 0.00 H new ATOM 0 HG12 VAL C 21 6.925 -0.182 -2.152 1.00 0.00 H new ATOM 0 HG13 VAL C 21 5.832 0.826 -1.174 1.00 0.00 H new ATOM 0 HG21 VAL C 21 7.752 3.171 -0.785 1.00 0.00 H new ATOM 0 HG22 VAL C 21 6.774 2.425 0.501 1.00 0.00 H new ATOM 0 HG23 VAL C 21 8.537 2.573 0.696 1.00 0.00 H new ATOM 1855 N GLU C 22 8.402 -2.249 -0.467 1.00 0.00 N ATOM 1856 CA GLU C 22 8.067 -3.591 -1.016 1.00 0.00 C ATOM 1857 C GLU C 22 7.561 -4.495 0.111 1.00 0.00 C ATOM 1858 O GLU C 22 6.559 -5.170 -0.020 1.00 0.00 O ATOM 1859 CB GLU C 22 9.386 -4.114 -1.587 1.00 0.00 C ATOM 1860 CG GLU C 22 9.511 -3.691 -3.051 1.00 0.00 C ATOM 1861 CD GLU C 22 10.588 -4.533 -3.737 1.00 0.00 C ATOM 1862 OE1 GLU C 22 10.413 -5.738 -3.811 1.00 0.00 O ATOM 1863 OE2 GLU C 22 11.569 -3.958 -4.179 1.00 0.00 O ATOM 0 H GLU C 22 9.399 -2.062 -0.363 1.00 0.00 H new ATOM 0 HA GLU C 22 7.284 -3.559 -1.773 1.00 0.00 H new ATOM 0 HB2 GLU C 22 10.225 -3.722 -1.011 1.00 0.00 H new ATOM 0 HB3 GLU C 22 9.424 -5.200 -1.507 1.00 0.00 H new ATOM 0 HG2 GLU C 22 8.556 -3.819 -3.560 1.00 0.00 H new ATOM 0 HG3 GLU C 22 9.767 -2.633 -3.114 1.00 0.00 H new ATOM 1870 N GLU C 23 8.244 -4.498 1.223 1.00 0.00 N ATOM 1871 CA GLU C 23 7.801 -5.342 2.368 1.00 0.00 C ATOM 1872 C GLU C 23 6.565 -4.714 3.017 1.00 0.00 C ATOM 1873 O GLU C 23 5.691 -5.400 3.506 1.00 0.00 O ATOM 1874 CB GLU C 23 8.982 -5.347 3.341 1.00 0.00 C ATOM 1875 CG GLU C 23 9.200 -3.934 3.885 1.00 0.00 C ATOM 1876 CD GLU C 23 10.495 -3.895 4.699 1.00 0.00 C ATOM 1877 OE1 GLU C 23 11.546 -3.749 4.097 1.00 0.00 O ATOM 1878 OE2 GLU C 23 10.412 -4.010 5.910 1.00 0.00 O ATOM 0 H GLU C 23 9.090 -3.952 1.388 1.00 0.00 H new ATOM 0 HA GLU C 23 7.529 -6.353 2.065 1.00 0.00 H new ATOM 0 HB2 GLU C 23 8.788 -6.038 4.161 1.00 0.00 H new ATOM 0 HB3 GLU C 23 9.882 -5.697 2.835 1.00 0.00 H new ATOM 0 HG2 GLU C 23 9.253 -3.220 3.063 1.00 0.00 H new ATOM 0 HG3 GLU C 23 8.357 -3.639 4.509 1.00 0.00 H new ATOM 1885 N LEU C 24 6.480 -3.411 3.013 1.00 0.00 N ATOM 1886 CA LEU C 24 5.294 -2.739 3.617 1.00 0.00 C ATOM 1887 C LEU C 24 4.056 -3.036 2.770 1.00 0.00 C ATOM 1888 O LEU C 24 3.015 -3.407 3.277 1.00 0.00 O ATOM 1889 CB LEU C 24 5.621 -1.246 3.585 1.00 0.00 C ATOM 1890 CG LEU C 24 4.942 -0.544 4.762 1.00 0.00 C ATOM 1891 CD1 LEU C 24 3.485 -0.996 4.860 1.00 0.00 C ATOM 1892 CD2 LEU C 24 5.673 -0.901 6.057 1.00 0.00 C ATOM 0 H LEU C 24 7.180 -2.783 2.618 1.00 0.00 H new ATOM 0 HA LEU C 24 5.087 -3.082 4.631 1.00 0.00 H new ATOM 0 HB2 LEU C 24 6.700 -1.099 3.635 1.00 0.00 H new ATOM 0 HB3 LEU C 24 5.283 -0.810 2.645 1.00 0.00 H new ATOM 0 HG LEU C 24 4.976 0.534 4.608 1.00 0.00 H new ATOM 0 HD11 LEU C 24 3.004 -0.494 5.700 1.00 0.00 H new ATOM 0 HD12 LEU C 24 2.962 -0.742 3.938 1.00 0.00 H new ATOM 0 HD13 LEU C 24 3.448 -2.075 5.013 1.00 0.00 H new ATOM 0 HD21 LEU C 24 5.190 -0.401 6.897 1.00 0.00 H new ATOM 0 HD22 LEU C 24 5.639 -1.980 6.208 1.00 0.00 H new ATOM 0 HD23 LEU C 24 6.711 -0.576 5.990 1.00 0.00 H new ATOM 1904 N ILE C 25 4.166 -2.885 1.477 1.00 0.00 N ATOM 1905 CA ILE C 25 3.001 -3.166 0.591 1.00 0.00 C ATOM 1906 C ILE C 25 2.553 -4.623 0.780 1.00 0.00 C ATOM 1907 O ILE C 25 1.375 -4.918 0.799 1.00 0.00 O ATOM 1908 CB ILE C 25 3.520 -2.892 -0.836 1.00 0.00 C ATOM 1909 CG1 ILE C 25 2.925 -1.574 -1.350 1.00 0.00 C ATOM 1910 CG2 ILE C 25 3.123 -4.021 -1.795 1.00 0.00 C ATOM 1911 CD1 ILE C 25 2.981 -0.510 -0.250 1.00 0.00 C ATOM 0 H ILE C 25 5.012 -2.579 0.997 1.00 0.00 H new ATOM 0 HA ILE C 25 2.128 -2.551 0.810 1.00 0.00 H new ATOM 0 HB ILE C 25 4.608 -2.831 -0.797 1.00 0.00 H new ATOM 0 HG12 ILE C 25 3.477 -1.233 -2.226 1.00 0.00 H new ATOM 0 HG13 ILE C 25 1.893 -1.730 -1.665 1.00 0.00 H new ATOM 0 HG21 ILE C 25 3.502 -3.801 -2.793 1.00 0.00 H new ATOM 0 HG22 ILE C 25 3.548 -4.962 -1.445 1.00 0.00 H new ATOM 0 HG23 ILE C 25 2.037 -4.104 -1.830 1.00 0.00 H new ATOM 0 HD11 ILE C 25 2.557 0.422 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE C 25 2.409 -0.849 0.614 1.00 0.00 H new ATOM 0 HD13 ILE C 25 4.018 -0.345 0.044 1.00 0.00 H new ATOM 1923 N ASN C 26 3.479 -5.532 0.930 1.00 0.00 N ATOM 1924 CA ASN C 26 3.090 -6.959 1.127 1.00 0.00 C ATOM 1925 C ASN C 26 2.349 -7.104 2.454 1.00 0.00 C ATOM 1926 O ASN C 26 1.338 -7.773 2.549 1.00 0.00 O ATOM 1927 CB ASN C 26 4.408 -7.732 1.164 1.00 0.00 C ATOM 1928 CG ASN C 26 4.167 -9.179 0.731 1.00 0.00 C ATOM 1929 OD1 ASN C 26 3.527 -9.428 -0.272 1.00 0.00 O ATOM 1930 ND2 ASN C 26 4.656 -10.153 1.451 1.00 0.00 N ATOM 0 H ASN C 26 4.483 -5.350 0.925 1.00 0.00 H new ATOM 0 HA ASN C 26 2.431 -7.326 0.340 1.00 0.00 H new ATOM 0 HB2 ASN C 26 5.136 -7.261 0.504 1.00 0.00 H new ATOM 0 HB3 ASN C 26 4.827 -7.708 2.170 1.00 0.00 H new ATOM 0 HD21 ASN C 26 4.501 -11.122 1.171 1.00 0.00 H new ATOM 0 HD22 ASN C 26 5.193 -9.945 2.293 1.00 0.00 H new ATOM 1937 N THR C 27 2.847 -6.471 3.477 1.00 0.00 N ATOM 1938 CA THR C 27 2.184 -6.551 4.808 1.00 0.00 C ATOM 1939 C THR C 27 0.773 -5.969 4.722 1.00 0.00 C ATOM 1940 O THR C 27 -0.126 -6.391 5.420 1.00 0.00 O ATOM 1941 CB THR C 27 3.058 -5.697 5.724 1.00 0.00 C ATOM 1942 OG1 THR C 27 4.296 -6.358 5.948 1.00 0.00 O ATOM 1943 CG2 THR C 27 2.342 -5.480 7.057 1.00 0.00 C ATOM 0 H THR C 27 3.690 -5.898 3.449 1.00 0.00 H new ATOM 0 HA THR C 27 2.087 -7.575 5.169 1.00 0.00 H new ATOM 0 HB THR C 27 3.244 -4.731 5.254 1.00 0.00 H new ATOM 0 HG1 THR C 27 4.918 -6.142 5.222 1.00 0.00 H new ATOM 0 HG21 THR C 27 2.966 -4.870 7.710 1.00 0.00 H new ATOM 0 HG22 THR C 27 1.394 -4.971 6.882 1.00 0.00 H new ATOM 0 HG23 THR C 27 2.154 -6.444 7.530 1.00 0.00 H new ATOM 1951 N LEU C 28 0.573 -5.005 3.866 1.00 0.00 N ATOM 1952 CA LEU C 28 -0.781 -4.400 3.730 1.00 0.00 C ATOM 1953 C LEU C 28 -1.710 -5.382 3.018 1.00 0.00 C ATOM 1954 O LEU C 28 -2.822 -5.624 3.444 1.00 0.00 O ATOM 1955 CB LEU C 28 -0.571 -3.143 2.885 1.00 0.00 C ATOM 1956 CG LEU C 28 0.004 -2.030 3.761 1.00 0.00 C ATOM 1957 CD1 LEU C 28 0.907 -1.128 2.916 1.00 0.00 C ATOM 1958 CD2 LEU C 28 -1.141 -1.201 4.344 1.00 0.00 C ATOM 0 H LEU C 28 1.289 -4.611 3.255 1.00 0.00 H new ATOM 0 HA LEU C 28 -1.236 -4.165 4.692 1.00 0.00 H new ATOM 0 HB2 LEU C 28 0.107 -3.357 2.058 1.00 0.00 H new ATOM 0 HB3 LEU C 28 -1.517 -2.824 2.447 1.00 0.00 H new ATOM 0 HG LEU C 28 0.587 -2.469 4.571 1.00 0.00 H new ATOM 0 HD11 LEU C 28 1.317 -0.335 3.541 1.00 0.00 H new ATOM 0 HD12 LEU C 28 1.723 -1.718 2.498 1.00 0.00 H new ATOM 0 HD13 LEU C 28 0.326 -0.688 2.106 1.00 0.00 H new ATOM 0 HD21 LEU C 28 -0.733 -0.407 4.969 1.00 0.00 H new ATOM 0 HD22 LEU C 28 -1.722 -0.762 3.533 1.00 0.00 H new ATOM 0 HD23 LEU C 28 -1.785 -1.842 4.946 1.00 0.00 H new ATOM 1970 N GLN C 29 -1.252 -5.968 1.948 1.00 0.00 N ATOM 1971 CA GLN C 29 -2.093 -6.952 1.222 1.00 0.00 C ATOM 1972 C GLN C 29 -2.235 -8.213 2.076 1.00 0.00 C ATOM 1973 O GLN C 29 -3.058 -9.068 1.818 1.00 0.00 O ATOM 1974 CB GLN C 29 -1.322 -7.247 -0.062 1.00 0.00 C ATOM 1975 CG GLN C 29 -2.300 -7.642 -1.170 1.00 0.00 C ATOM 1976 CD GLN C 29 -1.664 -8.712 -2.059 1.00 0.00 C ATOM 1977 OE1 GLN C 29 -1.831 -9.893 -1.825 1.00 0.00 O ATOM 1978 NE2 GLN C 29 -0.937 -8.348 -3.080 1.00 0.00 N ATOM 0 H GLN C 29 -0.329 -5.806 1.546 1.00 0.00 H new ATOM 0 HA GLN C 29 -3.098 -6.588 1.010 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -0.750 -6.370 -0.364 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -0.606 -8.051 0.109 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -3.225 -8.020 -0.735 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -2.562 -6.768 -1.766 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -0.796 -7.357 -3.278 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -0.510 -9.054 -3.680 1.00 0.00 H new ATOM 1987 N GLN C 30 -1.436 -8.318 3.103 1.00 0.00 N ATOM 1988 CA GLN C 30 -1.510 -9.501 4.001 1.00 0.00 C ATOM 1989 C GLN C 30 -2.608 -9.281 5.033 1.00 0.00 C ATOM 1990 O GLN C 30 -3.484 -10.103 5.215 1.00 0.00 O ATOM 1991 CB GLN C 30 -0.141 -9.564 4.673 1.00 0.00 C ATOM 1992 CG GLN C 30 0.870 -10.155 3.695 1.00 0.00 C ATOM 1993 CD GLN C 30 1.288 -11.548 4.169 1.00 0.00 C ATOM 1994 OE1 GLN C 30 1.049 -11.913 5.302 1.00 0.00 O ATOM 1995 NE2 GLN C 30 1.907 -12.346 3.343 1.00 0.00 N ATOM 0 H GLN C 30 -0.730 -7.628 3.359 1.00 0.00 H new ATOM 0 HA GLN C 30 -1.742 -10.425 3.472 1.00 0.00 H new ATOM 0 HB2 GLN C 30 0.173 -8.567 4.981 1.00 0.00 H new ATOM 0 HB3 GLN C 30 -0.193 -10.174 5.575 1.00 0.00 H new ATOM 0 HG2 GLN C 30 0.434 -10.215 2.698 1.00 0.00 H new ATOM 0 HG3 GLN C 30 1.743 -9.507 3.623 1.00 0.00 H new ATOM 0 HE21 GLN C 30 2.108 -12.039 2.391 1.00 0.00 H new ATOM 0 HE22 GLN C 30 2.190 -13.277 3.649 1.00 0.00 H new ATOM 2004 N LYS C 31 -2.579 -8.160 5.695 1.00 0.00 N ATOM 2005 CA LYS C 31 -3.637 -7.869 6.699 1.00 0.00 C ATOM 2006 C LYS C 31 -4.964 -7.673 5.969 1.00 0.00 C ATOM 2007 O LYS C 31 -6.028 -7.734 6.553 1.00 0.00 O ATOM 2008 CB LYS C 31 -3.201 -6.574 7.385 1.00 0.00 C ATOM 2009 CG LYS C 31 -2.583 -6.900 8.743 1.00 0.00 C ATOM 2010 CD LYS C 31 -2.052 -5.618 9.384 1.00 0.00 C ATOM 2011 CE LYS C 31 -1.291 -5.967 10.663 1.00 0.00 C ATOM 2012 NZ LYS C 31 -2.349 -6.183 11.690 1.00 0.00 N ATOM 0 H LYS C 31 -1.871 -7.435 5.585 1.00 0.00 H new ATOM 0 HA LYS C 31 -3.768 -8.672 7.424 1.00 0.00 H new ATOM 0 HB2 LYS C 31 -2.479 -6.045 6.762 1.00 0.00 H new ATOM 0 HB3 LYS C 31 -4.057 -5.912 7.513 1.00 0.00 H new ATOM 0 HG2 LYS C 31 -3.327 -7.362 9.392 1.00 0.00 H new ATOM 0 HG3 LYS C 31 -1.774 -7.621 8.623 1.00 0.00 H new ATOM 0 HD2 LYS C 31 -1.395 -5.095 8.688 1.00 0.00 H new ATOM 0 HD3 LYS C 31 -2.877 -4.943 9.611 1.00 0.00 H new ATOM 0 HE2 LYS C 31 -0.682 -6.861 10.529 1.00 0.00 H new ATOM 0 HE3 LYS C 31 -0.616 -5.162 10.954 1.00 0.00 H new ATOM 0 HZ1 LYS C 31 -2.229 -5.496 12.462 1.00 0.00 H new ATOM 0 HZ2 LYS C 31 -3.285 -6.056 11.256 1.00 0.00 H new ATOM 0 HZ3 LYS C 31 -2.272 -7.148 12.070 1.00 0.00 H new ATOM 2026 N LEU C 32 -4.900 -7.445 4.684 1.00 0.00 N ATOM 2027 CA LEU C 32 -6.142 -7.251 3.892 1.00 0.00 C ATOM 2028 C LEU C 32 -6.752 -8.610 3.546 1.00 0.00 C ATOM 2029 O LEU C 32 -7.930 -8.836 3.735 1.00 0.00 O ATOM 2030 CB LEU C 32 -5.689 -6.526 2.624 1.00 0.00 C ATOM 2031 CG LEU C 32 -6.864 -5.750 2.026 1.00 0.00 C ATOM 2032 CD1 LEU C 32 -7.485 -4.852 3.099 1.00 0.00 C ATOM 2033 CD2 LEU C 32 -6.364 -4.888 0.865 1.00 0.00 C ATOM 0 H LEU C 32 -4.034 -7.385 4.149 1.00 0.00 H new ATOM 0 HA LEU C 32 -6.901 -6.686 4.433 1.00 0.00 H new ATOM 0 HB2 LEU C 32 -4.871 -5.844 2.856 1.00 0.00 H new ATOM 0 HB3 LEU C 32 -5.309 -7.245 1.899 1.00 0.00 H new ATOM 0 HG LEU C 32 -7.616 -6.451 1.663 1.00 0.00 H new ATOM 0 HD11 LEU C 32 -8.322 -4.300 2.672 1.00 0.00 H new ATOM 0 HD12 LEU C 32 -7.840 -5.466 3.926 1.00 0.00 H new ATOM 0 HD13 LEU C 32 -6.736 -4.150 3.464 1.00 0.00 H new ATOM 0 HD21 LEU C 32 -7.199 -4.334 0.437 1.00 0.00 H new ATOM 0 HD22 LEU C 32 -5.613 -4.187 1.229 1.00 0.00 H new ATOM 0 HD23 LEU C 32 -5.923 -5.528 0.100 1.00 0.00 H new ATOM 2045 N GLU C 33 -5.958 -9.523 3.052 1.00 0.00 N ATOM 2046 CA GLU C 33 -6.502 -10.869 2.713 1.00 0.00 C ATOM 2047 C GLU C 33 -6.907 -11.585 4.000 1.00 0.00 C ATOM 2048 O GLU C 33 -7.697 -12.507 3.993 1.00 0.00 O ATOM 2049 CB GLU C 33 -5.356 -11.606 2.017 1.00 0.00 C ATOM 2050 CG GLU C 33 -5.811 -13.018 1.638 1.00 0.00 C ATOM 2051 CD GLU C 33 -4.957 -13.539 0.480 1.00 0.00 C ATOM 2052 OE1 GLU C 33 -4.102 -12.800 0.021 1.00 0.00 O ATOM 2053 OE2 GLU C 33 -5.173 -14.669 0.072 1.00 0.00 O ATOM 0 H GLU C 33 -4.963 -9.396 2.870 1.00 0.00 H new ATOM 0 HA GLU C 33 -7.384 -10.820 2.074 1.00 0.00 H new ATOM 0 HB2 GLU C 33 -5.047 -11.060 1.125 1.00 0.00 H new ATOM 0 HB3 GLU C 33 -4.489 -11.657 2.676 1.00 0.00 H new ATOM 0 HG2 GLU C 33 -5.721 -13.683 2.497 1.00 0.00 H new ATOM 0 HG3 GLU C 33 -6.863 -13.008 1.352 1.00 0.00 H new ATOM 2060 N ALA C 34 -6.388 -11.137 5.110 1.00 0.00 N ATOM 2061 CA ALA C 34 -6.755 -11.756 6.411 1.00 0.00 C ATOM 2062 C ALA C 34 -7.987 -11.032 6.943 1.00 0.00 C ATOM 2063 O ALA C 34 -8.858 -11.614 7.558 1.00 0.00 O ATOM 2064 CB ALA C 34 -5.547 -11.527 7.321 1.00 0.00 C ATOM 0 H ALA C 34 -5.723 -10.366 5.170 1.00 0.00 H new ATOM 0 HA ALA C 34 -6.988 -12.818 6.341 1.00 0.00 H new ATOM 0 HB1 ALA C 34 -5.744 -11.958 8.303 1.00 0.00 H new ATOM 0 HB2 ALA C 34 -4.668 -12.003 6.886 1.00 0.00 H new ATOM 0 HB3 ALA C 34 -5.367 -10.457 7.424 1.00 0.00 H new ATOM 2070 N VAL C 35 -8.066 -9.759 6.674 1.00 0.00 N ATOM 2071 CA VAL C 35 -9.241 -8.967 7.118 1.00 0.00 C ATOM 2072 C VAL C 35 -10.488 -9.506 6.413 1.00 0.00 C ATOM 2073 O VAL C 35 -11.553 -9.595 6.992 1.00 0.00 O ATOM 2074 CB VAL C 35 -8.909 -7.529 6.691 1.00 0.00 C ATOM 2075 CG1 VAL C 35 -10.160 -6.814 6.172 1.00 0.00 C ATOM 2076 CG2 VAL C 35 -8.357 -6.766 7.895 1.00 0.00 C ATOM 0 H VAL C 35 -7.360 -9.231 6.161 1.00 0.00 H new ATOM 0 HA VAL C 35 -9.440 -9.019 8.188 1.00 0.00 H new ATOM 0 HB VAL C 35 -8.169 -7.562 5.891 1.00 0.00 H new ATOM 0 HG11 VAL C 35 -9.901 -5.798 5.875 1.00 0.00 H new ATOM 0 HG12 VAL C 35 -10.557 -7.353 5.312 1.00 0.00 H new ATOM 0 HG13 VAL C 35 -10.913 -6.782 6.959 1.00 0.00 H new ATOM 0 HG21 VAL C 35 -8.119 -5.744 7.600 1.00 0.00 H new ATOM 0 HG22 VAL C 35 -9.104 -6.750 8.689 1.00 0.00 H new ATOM 0 HG23 VAL C 35 -7.454 -7.259 8.256 1.00 0.00 H new ATOM 2086 N ALA C 36 -10.356 -9.884 5.170 1.00 0.00 N ATOM 2087 CA ALA C 36 -11.526 -10.437 4.436 1.00 0.00 C ATOM 2088 C ALA C 36 -11.846 -11.826 4.986 1.00 0.00 C ATOM 2089 O ALA C 36 -12.971 -12.282 4.940 1.00 0.00 O ATOM 2090 CB ALA C 36 -11.082 -10.521 2.976 1.00 0.00 C ATOM 0 H ALA C 36 -9.490 -9.833 4.634 1.00 0.00 H new ATOM 0 HA ALA C 36 -12.422 -9.825 4.541 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -11.895 -10.921 2.371 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -10.819 -9.526 2.618 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -10.214 -11.176 2.897 1.00 0.00 H new ATOM 2096 N LYS C 37 -10.860 -12.495 5.520 1.00 0.00 N ATOM 2097 CA LYS C 37 -11.105 -13.849 6.089 1.00 0.00 C ATOM 2098 C LYS C 37 -11.729 -13.709 7.477 1.00 0.00 C ATOM 2099 O LYS C 37 -12.313 -14.635 8.004 1.00 0.00 O ATOM 2100 CB LYS C 37 -9.728 -14.506 6.168 1.00 0.00 C ATOM 2101 CG LYS C 37 -9.543 -15.444 4.976 1.00 0.00 C ATOM 2102 CD LYS C 37 -8.091 -15.381 4.497 1.00 0.00 C ATOM 2103 CE LYS C 37 -7.561 -16.801 4.293 1.00 0.00 C ATOM 2104 NZ LYS C 37 -8.114 -17.231 2.978 1.00 0.00 N ATOM 0 H LYS C 37 -9.898 -12.163 5.586 1.00 0.00 H new ATOM 0 HA LYS C 37 -11.791 -14.444 5.486 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -8.949 -13.744 6.169 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -9.631 -15.062 7.101 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -9.799 -16.465 5.260 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -10.216 -15.159 4.168 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -8.028 -14.820 3.564 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -7.478 -14.854 5.228 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -6.471 -16.819 4.288 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -7.887 -17.464 5.095 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -8.547 -18.172 3.074 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -8.834 -16.549 2.664 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -7.348 -17.273 2.276 1.00 0.00 H new ATOM 2118 N ARG C 38 -11.631 -12.549 8.062 1.00 0.00 N ATOM 2119 CA ARG C 38 -12.246 -12.342 9.396 1.00 0.00 C ATOM 2120 C ARG C 38 -13.702 -11.928 9.195 1.00 0.00 C ATOM 2121 O ARG C 38 -14.597 -12.370 9.892 1.00 0.00 O ATOM 2122 CB ARG C 38 -11.441 -11.212 10.035 1.00 0.00 C ATOM 2123 CG ARG C 38 -9.988 -11.657 10.211 1.00 0.00 C ATOM 2124 CD ARG C 38 -9.851 -12.461 11.505 1.00 0.00 C ATOM 2125 NE ARG C 38 -8.849 -11.716 12.316 1.00 0.00 N ATOM 2126 CZ ARG C 38 -8.684 -12.005 13.577 1.00 0.00 C ATOM 2127 NH1 ARG C 38 -9.716 -12.062 14.372 1.00 0.00 N ATOM 2128 NH2 ARG C 38 -7.487 -12.237 14.042 1.00 0.00 N ATOM 0 H ARG C 38 -11.151 -11.737 7.672 1.00 0.00 H new ATOM 0 HA ARG C 38 -12.234 -13.234 10.023 1.00 0.00 H new ATOM 0 HB2 ARG C 38 -11.486 -10.320 9.410 1.00 0.00 H new ATOM 0 HB3 ARG C 38 -11.871 -10.946 11.001 1.00 0.00 H new ATOM 0 HG2 ARG C 38 -9.677 -12.263 9.360 1.00 0.00 H new ATOM 0 HG3 ARG C 38 -9.332 -10.787 10.240 1.00 0.00 H new ATOM 0 HD2 ARG C 38 -10.805 -12.535 12.027 1.00 0.00 H new ATOM 0 HD3 ARG C 38 -9.518 -13.479 11.304 1.00 0.00 H new ATOM 0 HE ARG C 38 -8.291 -10.979 11.885 1.00 0.00 H new ATOM 0 HH11 ARG C 38 -10.651 -11.881 14.007 1.00 0.00 H new ATOM 0 HH12 ARG C 38 -9.588 -12.288 15.358 1.00 0.00 H new ATOM 0 HH21 ARG C 38 -6.680 -12.192 13.419 1.00 0.00 H new ATOM 0 HH22 ARG C 38 -7.358 -12.463 15.028 1.00 0.00 H new ATOM 2142 N ILE C 39 -13.944 -11.096 8.222 1.00 0.00 N ATOM 2143 CA ILE C 39 -15.338 -10.664 7.946 1.00 0.00 C ATOM 2144 C ILE C 39 -16.161 -11.877 7.529 1.00 0.00 C ATOM 2145 O ILE C 39 -17.280 -12.049 7.959 1.00 0.00 O ATOM 2146 CB ILE C 39 -15.231 -9.658 6.802 1.00 0.00 C ATOM 2147 CG1 ILE C 39 -14.575 -8.375 7.336 1.00 0.00 C ATOM 2148 CG2 ILE C 39 -16.630 -9.350 6.252 1.00 0.00 C ATOM 2149 CD1 ILE C 39 -14.989 -7.170 6.488 1.00 0.00 C ATOM 0 H ILE C 39 -13.235 -10.697 7.606 1.00 0.00 H new ATOM 0 HA ILE C 39 -15.824 -10.220 8.815 1.00 0.00 H new ATOM 0 HB ILE C 39 -14.625 -10.070 5.995 1.00 0.00 H new ATOM 0 HG12 ILE C 39 -14.867 -8.215 8.374 1.00 0.00 H new ATOM 0 HG13 ILE C 39 -13.490 -8.481 7.323 1.00 0.00 H new ATOM 0 HG21 ILE C 39 -16.550 -8.632 5.436 1.00 0.00 H new ATOM 0 HG22 ILE C 39 -17.086 -10.269 5.884 1.00 0.00 H new ATOM 0 HG23 ILE C 39 -17.249 -8.930 7.045 1.00 0.00 H new ATOM 0 HD11 ILE C 39 -14.516 -6.270 6.880 1.00 0.00 H new ATOM 0 HD12 ILE C 39 -14.674 -7.326 5.456 1.00 0.00 H new ATOM 0 HD13 ILE C 39 -16.072 -7.055 6.523 1.00 0.00 H new ATOM 2161 N GLU C 40 -15.605 -12.729 6.713 1.00 0.00 N ATOM 2162 CA GLU C 40 -16.357 -13.942 6.297 1.00 0.00 C ATOM 2163 C GLU C 40 -16.647 -14.772 7.540 1.00 0.00 C ATOM 2164 O GLU C 40 -17.647 -15.456 7.630 1.00 0.00 O ATOM 2165 CB GLU C 40 -15.430 -14.687 5.335 1.00 0.00 C ATOM 2166 CG GLU C 40 -14.312 -15.379 6.116 1.00 0.00 C ATOM 2167 CD GLU C 40 -14.742 -16.802 6.479 1.00 0.00 C ATOM 2168 OE1 GLU C 40 -15.125 -17.532 5.579 1.00 0.00 O ATOM 2169 OE2 GLU C 40 -14.682 -17.137 7.651 1.00 0.00 O ATOM 0 H GLU C 40 -14.669 -12.638 6.319 1.00 0.00 H new ATOM 0 HA GLU C 40 -17.308 -13.719 5.814 1.00 0.00 H new ATOM 0 HB2 GLU C 40 -15.998 -15.424 4.767 1.00 0.00 H new ATOM 0 HB3 GLU C 40 -15.003 -13.989 4.615 1.00 0.00 H new ATOM 0 HG2 GLU C 40 -13.400 -15.405 5.519 1.00 0.00 H new ATOM 0 HG3 GLU C 40 -14.084 -14.815 7.021 1.00 0.00 H new ATOM 2176 N ALA C 41 -15.785 -14.685 8.517 1.00 0.00 N ATOM 2177 CA ALA C 41 -16.018 -15.437 9.777 1.00 0.00 C ATOM 2178 C ALA C 41 -17.317 -14.935 10.398 1.00 0.00 C ATOM 2179 O ALA C 41 -18.128 -15.699 10.879 1.00 0.00 O ATOM 2180 CB ALA C 41 -14.822 -15.108 10.673 1.00 0.00 C ATOM 0 H ALA C 41 -14.932 -14.126 8.495 1.00 0.00 H new ATOM 0 HA ALA C 41 -16.107 -16.513 9.629 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -14.926 -15.630 11.624 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -13.902 -15.426 10.183 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -14.785 -14.033 10.851 1.00 0.00 H new ATOM 2186 N LEU C 42 -17.528 -13.649 10.360 1.00 0.00 N ATOM 2187 CA LEU C 42 -18.789 -13.086 10.915 1.00 0.00 C ATOM 2188 C LEU C 42 -19.935 -13.402 9.958 1.00 0.00 C ATOM 2189 O LEU C 42 -21.074 -13.533 10.355 1.00 0.00 O ATOM 2190 CB LEU C 42 -18.565 -11.571 10.998 1.00 0.00 C ATOM 2191 CG LEU C 42 -17.562 -11.203 12.109 1.00 0.00 C ATOM 2192 CD1 LEU C 42 -17.314 -12.385 13.057 1.00 0.00 C ATOM 2193 CD2 LEU C 42 -16.243 -10.786 11.464 1.00 0.00 C ATOM 0 H LEU C 42 -16.882 -12.964 9.969 1.00 0.00 H new ATOM 0 HA LEU C 42 -19.039 -13.501 11.891 1.00 0.00 H new ATOM 0 HB2 LEU C 42 -18.197 -11.205 10.040 1.00 0.00 H new ATOM 0 HB3 LEU C 42 -19.516 -11.072 11.186 1.00 0.00 H new ATOM 0 HG LEU C 42 -17.980 -10.384 12.695 1.00 0.00 H new ATOM 0 HD11 LEU C 42 -16.602 -12.090 13.828 1.00 0.00 H new ATOM 0 HD12 LEU C 42 -18.253 -12.680 13.525 1.00 0.00 H new ATOM 0 HD13 LEU C 42 -16.910 -13.226 12.493 1.00 0.00 H new ATOM 0 HD21 LEU C 42 -15.525 -10.523 12.241 1.00 0.00 H new ATOM 0 HD22 LEU C 42 -15.850 -11.612 10.872 1.00 0.00 H new ATOM 0 HD23 LEU C 42 -16.410 -9.924 10.818 1.00 0.00 H new ATOM 2205 N GLU C 43 -19.632 -13.545 8.696 1.00 0.00 N ATOM 2206 CA GLU C 43 -20.694 -13.875 7.709 1.00 0.00 C ATOM 2207 C GLU C 43 -21.152 -15.309 7.937 1.00 0.00 C ATOM 2208 O GLU C 43 -22.201 -15.722 7.489 1.00 0.00 O ATOM 2209 CB GLU C 43 -20.023 -13.736 6.349 1.00 0.00 C ATOM 2210 CG GLU C 43 -19.555 -12.296 6.173 1.00 0.00 C ATOM 2211 CD GLU C 43 -19.984 -11.783 4.796 1.00 0.00 C ATOM 2212 OE1 GLU C 43 -21.104 -11.312 4.684 1.00 0.00 O ATOM 2213 OE2 GLU C 43 -19.184 -11.870 3.878 1.00 0.00 O ATOM 0 H GLU C 43 -18.694 -13.447 8.308 1.00 0.00 H new ATOM 0 HA GLU C 43 -21.569 -13.231 7.790 1.00 0.00 H new ATOM 0 HB2 GLU C 43 -19.177 -14.419 6.275 1.00 0.00 H new ATOM 0 HB3 GLU C 43 -20.720 -14.005 5.556 1.00 0.00 H new ATOM 0 HG2 GLU C 43 -19.979 -11.667 6.955 1.00 0.00 H new ATOM 0 HG3 GLU C 43 -18.471 -12.240 6.272 1.00 0.00 H new