USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 699 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 CYS SG : rot -59:sc= -2.79! USER MOD Set 1.2: B 40 CYS SG : rot -102:sc= -5.27! USER MOD Single : A 12 LYS NZ :NH3+ -163:sc= -0.0903 (180deg=-0.377) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.799 K(o=0.8,f=-0.013) USER MOD Single : A 22 HIS : no HD1:sc= -7.46! C(o=-7.5!,f=-5.9!) USER MOD Single : A 26 MET CE :methyl -156:sc= -0.179 (180deg=-0.894) USER MOD Single : A 30 LYS NZ :NH3+ 167:sc= 1.17 (180deg=0.632) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 35 THR OG1 : rot -34:sc= 1.09 USER MOD Single : A 37 SER OG : rot -157:sc= 1.15 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 1.1 K(o=1.1,f=-0.22) USER MOD Single : B 12 LYS NZ :NH3+ -167:sc= -0.0086 (180deg=-0.171) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 HIS : no HE2:sc= -4.1 K(o=-4.1,f=-3.4!) USER MOD Single : B 26 MET CE :methyl -156:sc= -0.206 (180deg=-0.95) USER MOD Single : B 30 LYS NZ :NH3+ 157:sc= 1.11 (180deg=0.376) USER MOD Single : B 32 LYS NZ :NH3+ 156:sc= 0.635 (180deg=0.117) USER MOD Single : B 33 ASN : amide:sc= -0.704 K(o=-0.7,f=0) USER MOD Single : B 35 THR OG1 : rot -69:sc= 1.28 USER MOD Single : B 37 SER OG : rot -145:sc= 1 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 50 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : B 51 HIS : no HE2:sc= 1.12 K(o=1.1,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 150 N ILE A 11 -8.462 8.657 -0.467 1.00 0.00 N ATOM 151 CA ILE A 11 -8.112 9.536 0.634 1.00 0.00 C ATOM 152 C ILE A 11 -6.613 9.453 0.908 1.00 0.00 C ATOM 153 O ILE A 11 -5.959 8.475 0.529 1.00 0.00 O ATOM 154 CB ILE A 11 -8.916 9.160 1.909 1.00 0.00 C ATOM 155 CG1 ILE A 11 -10.406 9.002 1.581 1.00 0.00 C ATOM 156 CG2 ILE A 11 -8.737 10.196 3.015 1.00 0.00 C ATOM 157 CD1 ILE A 11 -11.040 10.250 1.001 1.00 0.00 C ATOM 0 HA ILE A 11 -8.366 10.560 0.359 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.525 8.209 2.269 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.528 8.182 0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.941 8.722 2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.315 9.898 3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.683 10.264 3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.086 11.167 2.664 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.094 10.061 0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.951 11.069 1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.532 10.519 0.075 1.00 0.00 H new ATOM 169 N LYS A 12 -6.093 10.450 1.609 1.00 0.00 N ATOM 170 CA LYS A 12 -4.662 10.613 1.796 1.00 0.00 C ATOM 171 C LYS A 12 -4.227 10.062 3.142 1.00 0.00 C ATOM 172 O LYS A 12 -4.836 10.341 4.173 1.00 0.00 O ATOM 173 CB LYS A 12 -4.313 12.104 1.703 1.00 0.00 C ATOM 174 CG LYS A 12 -2.944 12.478 2.251 1.00 0.00 C ATOM 175 CD LYS A 12 -1.812 11.873 1.444 1.00 0.00 C ATOM 176 CE LYS A 12 -0.462 12.280 2.007 1.00 0.00 C ATOM 177 NZ LYS A 12 -0.299 13.758 2.044 1.00 0.00 N ATOM 0 H LYS A 12 -6.654 11.169 2.065 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.136 10.059 1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.366 12.410 0.658 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.071 12.674 2.240 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.842 13.563 2.257 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.867 12.145 3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.899 10.786 1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.889 12.195 0.406 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.352 11.877 3.014 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.331 11.842 1.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.708 13.994 2.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.656 14.169 1.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.835 14.146 2.846 1.00 0.00 H new ATOM 191 N LEU A 13 -3.183 9.253 3.105 1.00 0.00 N ATOM 192 CA LEU A 13 -2.605 8.669 4.299 1.00 0.00 C ATOM 193 C LEU A 13 -1.090 8.815 4.260 1.00 0.00 C ATOM 194 O LEU A 13 -0.449 8.477 3.264 1.00 0.00 O ATOM 195 CB LEU A 13 -2.998 7.189 4.431 1.00 0.00 C ATOM 196 CG LEU A 13 -2.704 6.302 3.212 1.00 0.00 C ATOM 197 CD1 LEU A 13 -2.610 4.841 3.628 1.00 0.00 C ATOM 198 CD2 LEU A 13 -3.779 6.470 2.142 1.00 0.00 C ATOM 0 H LEU A 13 -2.712 8.983 2.242 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.993 9.198 5.169 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.478 6.771 5.293 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.065 7.135 4.646 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.748 6.614 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.401 4.226 2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.807 4.721 4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.554 4.528 4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.547 5.831 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.749 6.189 2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.810 7.510 1.818 1.00 0.00 H new ATOM 210 N GLY A 14 -0.521 9.343 5.332 1.00 0.00 N ATOM 211 CA GLY A 14 0.909 9.522 5.387 1.00 0.00 C ATOM 212 C GLY A 14 1.577 8.484 6.259 1.00 0.00 C ATOM 213 O GLY A 14 1.263 8.374 7.445 1.00 0.00 O ATOM 0 H GLY A 14 -1.026 9.650 6.163 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.320 9.467 4.379 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.135 10.517 5.770 1.00 0.00 H new ATOM 217 N VAL A 15 2.482 7.713 5.680 1.00 0.00 N ATOM 218 CA VAL A 15 3.201 6.692 6.427 1.00 0.00 C ATOM 219 C VAL A 15 4.659 7.118 6.610 1.00 0.00 C ATOM 220 O VAL A 15 5.208 7.826 5.765 1.00 0.00 O ATOM 221 CB VAL A 15 3.123 5.309 5.719 1.00 0.00 C ATOM 222 CG1 VAL A 15 3.774 4.228 6.563 1.00 0.00 C ATOM 223 CG2 VAL A 15 1.679 4.944 5.405 1.00 0.00 C ATOM 0 H VAL A 15 2.737 7.774 4.694 1.00 0.00 H new ATOM 0 HA VAL A 15 2.730 6.587 7.405 1.00 0.00 H new ATOM 0 HB VAL A 15 3.671 5.382 4.780 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.706 3.271 6.045 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.822 4.477 6.728 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.262 4.158 7.523 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.648 3.973 4.910 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.106 4.898 6.331 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.247 5.700 4.749 1.00 0.00 H new ATOM 233 N TYR A 16 5.255 6.745 7.740 1.00 0.00 N ATOM 234 CA TYR A 16 6.678 6.973 7.977 1.00 0.00 C ATOM 235 C TYR A 16 7.428 5.655 7.998 1.00 0.00 C ATOM 236 O TYR A 16 7.043 4.736 8.722 1.00 0.00 O ATOM 237 CB TYR A 16 6.916 7.693 9.301 1.00 0.00 C ATOM 238 CG TYR A 16 7.101 9.181 9.157 1.00 0.00 C ATOM 239 CD1 TYR A 16 8.159 9.677 8.421 1.00 0.00 C ATOM 240 CD2 TYR A 16 6.232 10.083 9.754 1.00 0.00 C ATOM 241 CE1 TYR A 16 8.356 11.028 8.275 1.00 0.00 C ATOM 242 CE2 TYR A 16 6.424 11.444 9.617 1.00 0.00 C ATOM 243 CZ TYR A 16 7.487 11.911 8.874 1.00 0.00 C ATOM 244 OH TYR A 16 7.683 13.266 8.734 1.00 0.00 O ATOM 0 H TYR A 16 4.772 6.281 8.509 1.00 0.00 H new ATOM 0 HA TYR A 16 7.044 7.599 7.163 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.072 7.503 9.964 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.799 7.271 9.780 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.845 8.988 7.951 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.396 9.717 10.332 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.188 11.396 7.693 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.745 12.138 10.089 1.00 0.00 H new ATOM 0 HH TYR A 16 6.981 13.750 9.217 1.00 0.00 H new ATOM 254 N ILE A 17 8.488 5.562 7.206 1.00 0.00 N ATOM 255 CA ILE A 17 9.312 4.363 7.184 1.00 0.00 C ATOM 256 C ILE A 17 10.796 4.731 7.127 1.00 0.00 C ATOM 257 O ILE A 17 11.166 5.736 6.519 1.00 0.00 O ATOM 258 CB ILE A 17 8.944 3.427 6.007 1.00 0.00 C ATOM 259 CG1 ILE A 17 9.332 4.023 4.653 1.00 0.00 C ATOM 260 CG2 ILE A 17 7.454 3.114 6.026 1.00 0.00 C ATOM 261 CD1 ILE A 17 8.980 3.116 3.494 1.00 0.00 C ATOM 0 H ILE A 17 8.796 6.300 6.573 1.00 0.00 H new ATOM 0 HA ILE A 17 9.116 3.820 8.108 1.00 0.00 H new ATOM 0 HB ILE A 17 9.513 2.506 6.138 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.829 4.981 4.525 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.404 4.221 4.641 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.210 2.455 5.193 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.197 2.623 6.964 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.886 4.040 5.934 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.278 3.589 2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.504 2.166 3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.905 2.938 3.485 1.00 0.00 H new ATOM 273 N PRO A 18 11.657 3.925 7.775 1.00 0.00 N ATOM 274 CA PRO A 18 13.094 4.224 7.933 1.00 0.00 C ATOM 275 C PRO A 18 13.878 4.295 6.619 1.00 0.00 C ATOM 276 O PRO A 18 13.372 3.930 5.553 1.00 0.00 O ATOM 277 CB PRO A 18 13.616 3.063 8.791 1.00 0.00 C ATOM 278 CG PRO A 18 12.407 2.467 9.421 1.00 0.00 C ATOM 279 CD PRO A 18 11.295 2.659 8.432 1.00 0.00 C ATOM 0 HA PRO A 18 13.226 5.213 8.373 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.144 2.330 8.181 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.319 3.416 9.545 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.560 1.410 9.638 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.178 2.956 10.368 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.240 1.835 7.720 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.324 2.721 8.923 1.00 0.00 H new ATOM 287 N GLN A 19 15.130 4.736 6.711 1.00 0.00 N ATOM 288 CA GLN A 19 15.990 4.902 5.541 1.00 0.00 C ATOM 289 C GLN A 19 16.262 3.561 4.864 1.00 0.00 C ATOM 290 O GLN A 19 16.192 3.455 3.639 1.00 0.00 O ATOM 291 CB GLN A 19 17.309 5.571 5.944 1.00 0.00 C ATOM 292 CG GLN A 19 18.314 5.708 4.807 1.00 0.00 C ATOM 293 CD GLN A 19 17.791 6.534 3.646 1.00 0.00 C ATOM 294 OE1 GLN A 19 17.936 7.753 3.624 1.00 0.00 O ATOM 295 NE2 GLN A 19 17.186 5.873 2.671 1.00 0.00 N ATOM 0 H GLN A 19 15.576 4.987 7.593 1.00 0.00 H new ATOM 0 HA GLN A 19 15.471 5.542 4.827 1.00 0.00 H new ATOM 0 HB2 GLN A 19 17.093 6.562 6.344 1.00 0.00 H new ATOM 0 HB3 GLN A 19 17.765 4.994 6.749 1.00 0.00 H new ATOM 0 HG2 GLN A 19 19.226 6.166 5.189 1.00 0.00 H new ATOM 0 HG3 GLN A 19 18.583 4.715 4.447 1.00 0.00 H new ATOM 0 HE21 GLN A 19 17.086 4.860 2.728 1.00 0.00 H new ATOM 0 HE22 GLN A 19 16.820 6.377 1.863 1.00 0.00 H new ATOM 304 N GLU A 20 16.556 2.545 5.670 1.00 0.00 N ATOM 305 CA GLU A 20 16.822 1.194 5.167 1.00 0.00 C ATOM 306 C GLU A 20 15.677 0.699 4.288 1.00 0.00 C ATOM 307 O GLU A 20 15.879 -0.052 3.326 1.00 0.00 O ATOM 308 CB GLU A 20 17.028 0.245 6.344 1.00 0.00 C ATOM 309 CG GLU A 20 18.277 0.557 7.147 1.00 0.00 C ATOM 310 CD GLU A 20 19.539 0.125 6.431 1.00 0.00 C ATOM 311 OE1 GLU A 20 20.004 0.844 5.526 1.00 0.00 O ATOM 312 OE2 GLU A 20 20.062 -0.959 6.757 1.00 0.00 O ATOM 0 H GLU A 20 16.617 2.630 6.685 1.00 0.00 H new ATOM 0 HA GLU A 20 17.725 1.222 4.557 1.00 0.00 H new ATOM 0 HB2 GLU A 20 16.159 0.295 7.000 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.088 -0.778 5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 20 18.322 1.628 7.345 1.00 0.00 H new ATOM 0 HG3 GLU A 20 18.220 0.056 8.114 1.00 0.00 H new ATOM 319 N TRP A 21 14.484 1.185 4.588 1.00 0.00 N ATOM 320 CA TRP A 21 13.304 0.828 3.835 1.00 0.00 C ATOM 321 C TRP A 21 13.293 1.579 2.522 1.00 0.00 C ATOM 322 O TRP A 21 13.252 0.980 1.459 1.00 0.00 O ATOM 323 CB TRP A 21 12.054 1.224 4.600 1.00 0.00 C ATOM 324 CG TRP A 21 11.602 0.274 5.660 1.00 0.00 C ATOM 325 CD1 TRP A 21 12.345 -0.374 6.607 1.00 0.00 C ATOM 326 CD2 TRP A 21 10.251 -0.080 5.897 1.00 0.00 C ATOM 327 NE1 TRP A 21 11.514 -1.116 7.420 1.00 0.00 N ATOM 328 CE2 TRP A 21 10.218 -0.946 6.999 1.00 0.00 C ATOM 329 CE3 TRP A 21 9.064 0.264 5.268 1.00 0.00 C ATOM 330 CZ2 TRP A 21 9.022 -1.468 7.488 1.00 0.00 C ATOM 331 CZ3 TRP A 21 7.890 -0.246 5.746 1.00 0.00 C ATOM 332 CH2 TRP A 21 7.868 -1.097 6.843 1.00 0.00 C ATOM 0 H TRP A 21 14.312 1.834 5.356 1.00 0.00 H new ATOM 0 HA TRP A 21 13.319 -0.249 3.667 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.228 2.196 5.062 1.00 0.00 H new ATOM 0 HB3 TRP A 21 11.241 1.352 3.885 1.00 0.00 H new ATOM 0 HD1 TRP A 21 13.419 -0.314 6.704 1.00 0.00 H new ATOM 0 HE1 TRP A 21 11.813 -1.695 8.205 1.00 0.00 H new ATOM 0 HE3 TRP A 21 9.067 0.925 4.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 9.004 -2.135 8.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 6.962 0.018 5.261 1.00 0.00 H new ATOM 0 HH2 TRP A 21 6.921 -1.476 7.197 1.00 0.00 H new ATOM 343 N HIS A 22 13.352 2.903 2.613 1.00 0.00 N ATOM 344 CA HIS A 22 13.319 3.754 1.433 1.00 0.00 C ATOM 345 C HIS A 22 14.407 3.335 0.453 1.00 0.00 C ATOM 346 O HIS A 22 14.211 3.365 -0.754 1.00 0.00 O ATOM 347 CB HIS A 22 13.503 5.221 1.828 1.00 0.00 C ATOM 348 CG HIS A 22 13.142 6.185 0.740 1.00 0.00 C ATOM 349 ND1 HIS A 22 14.056 6.711 -0.145 1.00 0.00 N ATOM 350 CD2 HIS A 22 11.946 6.717 0.400 1.00 0.00 C ATOM 351 CE1 HIS A 22 13.439 7.529 -0.977 1.00 0.00 C ATOM 352 NE2 HIS A 22 12.156 7.550 -0.669 1.00 0.00 N ATOM 0 H HIS A 22 13.423 3.410 3.495 1.00 0.00 H new ATOM 0 HA HIS A 22 12.348 3.642 0.951 1.00 0.00 H new ATOM 0 HB2 HIS A 22 12.892 5.432 2.706 1.00 0.00 H new ATOM 0 HB3 HIS A 22 14.542 5.383 2.116 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.999 6.522 0.882 1.00 0.00 H new ATOM 0 HE1 HIS A 22 13.906 8.087 -1.775 1.00 0.00 H new ATOM 0 HE2 HIS A 22 11.439 8.096 -1.147 1.00 0.00 H new ATOM 361 N ASP A 23 15.542 2.925 0.995 1.00 0.00 N ATOM 362 CA ASP A 23 16.670 2.488 0.188 1.00 0.00 C ATOM 363 C ASP A 23 16.301 1.278 -0.676 1.00 0.00 C ATOM 364 O ASP A 23 16.204 1.390 -1.906 1.00 0.00 O ATOM 365 CB ASP A 23 17.852 2.160 1.105 1.00 0.00 C ATOM 366 CG ASP A 23 19.121 1.823 0.351 1.00 0.00 C ATOM 367 OD1 ASP A 23 19.503 2.586 -0.562 1.00 0.00 O ATOM 368 OD2 ASP A 23 19.769 0.813 0.698 1.00 0.00 O ATOM 0 H ASP A 23 15.707 2.886 2.001 1.00 0.00 H new ATOM 0 HA ASP A 23 16.951 3.295 -0.489 1.00 0.00 H new ATOM 0 HB2 ASP A 23 18.042 3.011 1.759 1.00 0.00 H new ATOM 0 HB3 ASP A 23 17.584 1.319 1.745 1.00 0.00 H new ATOM 373 N ARG A 24 16.024 0.139 -0.042 1.00 0.00 N ATOM 374 CA ARG A 24 15.791 -1.095 -0.797 1.00 0.00 C ATOM 375 C ARG A 24 14.406 -1.141 -1.424 1.00 0.00 C ATOM 376 O ARG A 24 14.261 -1.595 -2.556 1.00 0.00 O ATOM 377 CB ARG A 24 16.008 -2.341 0.070 1.00 0.00 C ATOM 378 CG ARG A 24 17.456 -2.799 0.115 1.00 0.00 C ATOM 379 CD ARG A 24 18.314 -1.898 0.982 1.00 0.00 C ATOM 380 NE ARG A 24 18.319 -2.331 2.377 1.00 0.00 N ATOM 381 CZ ARG A 24 18.946 -1.689 3.361 1.00 0.00 C ATOM 382 NH1 ARG A 24 19.546 -0.518 3.137 1.00 0.00 N ATOM 383 NH2 ARG A 24 18.969 -2.225 4.573 1.00 0.00 N ATOM 0 H ARG A 24 15.956 0.043 0.971 1.00 0.00 H new ATOM 0 HA ARG A 24 16.526 -1.094 -1.602 1.00 0.00 H new ATOM 0 HB2 ARG A 24 15.669 -2.132 1.085 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.389 -3.153 -0.312 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.501 -3.819 0.497 1.00 0.00 H new ATOM 0 HG3 ARG A 24 17.861 -2.820 -0.897 1.00 0.00 H new ATOM 0 HD2 ARG A 24 19.335 -1.891 0.600 1.00 0.00 H new ATOM 0 HD3 ARG A 24 17.944 -0.875 0.921 1.00 0.00 H new ATOM 0 HE ARG A 24 17.808 -3.182 2.613 1.00 0.00 H new ATOM 0 HH11 ARG A 24 19.527 -0.106 2.204 1.00 0.00 H new ATOM 0 HH12 ARG A 24 20.023 -0.036 3.899 1.00 0.00 H new ATOM 0 HH21 ARG A 24 18.510 -3.120 4.744 1.00 0.00 H new ATOM 0 HH22 ARG A 24 19.446 -1.743 5.335 1.00 0.00 H new ATOM 397 N LEU A 25 13.398 -0.657 -0.715 1.00 0.00 N ATOM 398 CA LEU A 25 12.031 -0.714 -1.216 1.00 0.00 C ATOM 399 C LEU A 25 11.887 0.109 -2.484 1.00 0.00 C ATOM 400 O LEU A 25 11.258 -0.337 -3.438 1.00 0.00 O ATOM 401 CB LEU A 25 11.021 -0.233 -0.166 1.00 0.00 C ATOM 402 CG LEU A 25 10.570 -1.282 0.863 1.00 0.00 C ATOM 403 CD1 LEU A 25 9.884 -2.447 0.170 1.00 0.00 C ATOM 404 CD2 LEU A 25 11.741 -1.787 1.694 1.00 0.00 C ATOM 0 H LEU A 25 13.498 -0.223 0.203 1.00 0.00 H new ATOM 0 HA LEU A 25 11.815 -1.758 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.458 0.609 0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.138 0.142 -0.684 1.00 0.00 H new ATOM 0 HG LEU A 25 9.861 -0.799 1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.571 -3.180 0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.010 -2.085 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.577 -2.913 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.386 -2.527 2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.482 -2.244 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.195 -0.952 2.229 1.00 0.00 H new ATOM 416 N MET A 26 12.472 1.302 -2.502 1.00 0.00 N ATOM 417 CA MET A 26 12.420 2.137 -3.693 1.00 0.00 C ATOM 418 C MET A 26 13.155 1.496 -4.858 1.00 0.00 C ATOM 419 O MET A 26 12.691 1.569 -5.988 1.00 0.00 O ATOM 420 CB MET A 26 12.964 3.538 -3.424 1.00 0.00 C ATOM 421 CG MET A 26 12.046 4.381 -2.558 1.00 0.00 C ATOM 422 SD MET A 26 10.478 4.756 -3.367 1.00 0.00 S ATOM 423 CE MET A 26 11.039 5.671 -4.805 1.00 0.00 C ATOM 0 H MET A 26 12.981 1.707 -1.716 1.00 0.00 H new ATOM 0 HA MET A 26 11.369 2.231 -3.966 1.00 0.00 H new ATOM 0 HB2 MET A 26 13.936 3.456 -2.938 1.00 0.00 H new ATOM 0 HB3 MET A 26 13.124 4.047 -4.374 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.851 3.856 -1.623 1.00 0.00 H new ATOM 0 HG3 MET A 26 12.550 5.313 -2.301 1.00 0.00 H new ATOM 0 HE1 MET A 26 10.237 6.318 -5.161 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.902 6.279 -4.535 1.00 0.00 H new ATOM 0 HE3 MET A 26 11.319 4.973 -5.594 1.00 0.00 H new ATOM 433 N GLU A 27 14.293 0.857 -4.595 1.00 0.00 N ATOM 434 CA GLU A 27 15.026 0.188 -5.667 1.00 0.00 C ATOM 435 C GLU A 27 14.227 -0.987 -6.220 1.00 0.00 C ATOM 436 O GLU A 27 14.157 -1.186 -7.436 1.00 0.00 O ATOM 437 CB GLU A 27 16.405 -0.266 -5.191 1.00 0.00 C ATOM 438 CG GLU A 27 17.328 0.891 -4.853 1.00 0.00 C ATOM 439 CD GLU A 27 17.376 1.936 -5.955 1.00 0.00 C ATOM 440 OE1 GLU A 27 16.541 2.866 -5.936 1.00 0.00 O ATOM 441 OE2 GLU A 27 18.248 1.832 -6.842 1.00 0.00 O ATOM 0 H GLU A 27 14.720 0.788 -3.671 1.00 0.00 H new ATOM 0 HA GLU A 27 15.171 0.908 -6.473 1.00 0.00 H new ATOM 0 HB2 GLU A 27 16.289 -0.900 -4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 27 16.867 -0.878 -5.966 1.00 0.00 H new ATOM 0 HG2 GLU A 27 16.995 1.359 -3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 27 18.333 0.510 -4.674 1.00 0.00 H new ATOM 448 N ILE A 28 13.603 -1.747 -5.328 1.00 0.00 N ATOM 449 CA ILE A 28 12.706 -2.821 -5.750 1.00 0.00 C ATOM 450 C ILE A 28 11.536 -2.234 -6.537 1.00 0.00 C ATOM 451 O ILE A 28 11.076 -2.809 -7.525 1.00 0.00 O ATOM 452 CB ILE A 28 12.165 -3.623 -4.543 1.00 0.00 C ATOM 453 CG1 ILE A 28 13.320 -4.264 -3.769 1.00 0.00 C ATOM 454 CG2 ILE A 28 11.185 -4.693 -5.007 1.00 0.00 C ATOM 455 CD1 ILE A 28 12.887 -4.962 -2.496 1.00 0.00 C ATOM 0 H ILE A 28 13.698 -1.643 -4.318 1.00 0.00 H new ATOM 0 HA ILE A 28 13.277 -3.504 -6.379 1.00 0.00 H new ATOM 0 HB ILE A 28 11.639 -2.935 -3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 28 13.823 -4.984 -4.415 1.00 0.00 H new ATOM 0 HG13 ILE A 28 14.050 -3.494 -3.520 1.00 0.00 H new ATOM 0 HG21 ILE A 28 10.815 -5.247 -4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.348 -4.221 -5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.690 -5.378 -5.688 1.00 0.00 H new ATOM 0 HD11 ILE A 28 13.759 -5.392 -2.002 1.00 0.00 H new ATOM 0 HD12 ILE A 28 12.411 -4.242 -1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 28 12.180 -5.755 -2.738 1.00 0.00 H new ATOM 467 N ALA A 29 11.080 -1.068 -6.095 1.00 0.00 N ATOM 468 CA ALA A 29 9.989 -0.353 -6.744 1.00 0.00 C ATOM 469 C ALA A 29 10.365 0.083 -8.159 1.00 0.00 C ATOM 470 O ALA A 29 9.497 0.243 -9.017 1.00 0.00 O ATOM 471 CB ALA A 29 9.580 0.849 -5.908 1.00 0.00 C ATOM 0 H ALA A 29 11.457 -0.592 -5.276 1.00 0.00 H new ATOM 0 HA ALA A 29 9.143 -1.035 -6.825 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.764 1.376 -6.403 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.252 0.513 -4.924 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.431 1.521 -5.797 1.00 0.00 H new ATOM 477 N LYS A 30 11.661 0.236 -8.412 1.00 0.00 N ATOM 478 CA LYS A 30 12.130 0.643 -9.730 1.00 0.00 C ATOM 479 C LYS A 30 12.023 -0.541 -10.669 1.00 0.00 C ATOM 480 O LYS A 30 11.638 -0.408 -11.829 1.00 0.00 O ATOM 481 CB LYS A 30 13.597 1.095 -9.683 1.00 0.00 C ATOM 482 CG LYS A 30 13.923 2.109 -8.598 1.00 0.00 C ATOM 483 CD LYS A 30 13.294 3.467 -8.862 1.00 0.00 C ATOM 484 CE LYS A 30 13.602 4.445 -7.738 1.00 0.00 C ATOM 485 NZ LYS A 30 15.064 4.578 -7.489 1.00 0.00 N ATOM 0 H LYS A 30 12.400 0.085 -7.726 1.00 0.00 H new ATOM 0 HA LYS A 30 11.518 1.477 -10.073 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.227 0.217 -9.540 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.861 1.523 -10.650 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.575 1.732 -7.636 1.00 0.00 H new ATOM 0 HG3 LYS A 30 15.005 2.222 -8.524 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.666 3.865 -9.806 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.215 3.357 -8.966 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.188 5.422 -7.986 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.109 4.112 -6.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.239 5.403 -6.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.416 3.720 -7.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.560 4.705 -8.394 1.00 0.00 H new ATOM 499 N GLU A 31 12.372 -1.700 -10.137 1.00 0.00 N ATOM 500 CA GLU A 31 12.284 -2.954 -10.868 1.00 0.00 C ATOM 501 C GLU A 31 10.835 -3.281 -11.243 1.00 0.00 C ATOM 502 O GLU A 31 10.558 -3.769 -12.338 1.00 0.00 O ATOM 503 CB GLU A 31 12.857 -4.086 -10.013 1.00 0.00 C ATOM 504 CG GLU A 31 14.307 -3.880 -9.600 1.00 0.00 C ATOM 505 CD GLU A 31 14.771 -4.908 -8.593 1.00 0.00 C ATOM 506 OE1 GLU A 31 14.537 -6.114 -8.822 1.00 0.00 O ATOM 507 OE2 GLU A 31 15.347 -4.521 -7.557 1.00 0.00 O ATOM 0 H GLU A 31 12.725 -1.799 -9.185 1.00 0.00 H new ATOM 0 HA GLU A 31 12.859 -2.852 -11.788 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.247 -4.194 -9.116 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.778 -5.021 -10.567 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.944 -3.927 -10.483 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.423 -2.882 -9.177 1.00 0.00 H new ATOM 514 N LYS A 32 9.917 -3.000 -10.325 1.00 0.00 N ATOM 515 CA LYS A 32 8.522 -3.412 -10.473 1.00 0.00 C ATOM 516 C LYS A 32 7.635 -2.319 -11.072 1.00 0.00 C ATOM 517 O LYS A 32 6.445 -2.543 -11.297 1.00 0.00 O ATOM 518 CB LYS A 32 7.948 -3.864 -9.124 1.00 0.00 C ATOM 519 CG LYS A 32 8.261 -5.311 -8.750 1.00 0.00 C ATOM 520 CD LYS A 32 9.756 -5.568 -8.626 1.00 0.00 C ATOM 521 CE LYS A 32 10.043 -6.999 -8.206 1.00 0.00 C ATOM 522 NZ LYS A 32 11.496 -7.311 -8.252 1.00 0.00 N ATOM 0 H LYS A 32 10.113 -2.486 -9.466 1.00 0.00 H new ATOM 0 HA LYS A 32 8.522 -4.247 -11.174 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.334 -3.209 -8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.866 -3.734 -9.143 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.774 -5.553 -7.805 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.842 -5.977 -9.504 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.242 -5.364 -9.580 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.185 -4.881 -7.897 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.669 -7.162 -7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.504 -7.684 -8.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.649 -8.297 -7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.849 -7.180 -9.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.008 -6.675 -7.608 1.00 0.00 H new ATOM 536 N ASN A 33 8.214 -1.143 -11.313 1.00 0.00 N ATOM 537 CA ASN A 33 7.472 0.000 -11.863 1.00 0.00 C ATOM 538 C ASN A 33 6.385 0.464 -10.897 1.00 0.00 C ATOM 539 O ASN A 33 5.275 0.813 -11.304 1.00 0.00 O ATOM 540 CB ASN A 33 6.850 -0.337 -13.230 1.00 0.00 C ATOM 541 CG ASN A 33 7.866 -0.395 -14.352 1.00 0.00 C ATOM 542 OD1 ASN A 33 9.038 -0.711 -14.140 1.00 0.00 O ATOM 543 ND2 ASN A 33 7.421 -0.101 -15.561 1.00 0.00 N ATOM 0 H ASN A 33 9.200 -0.953 -11.136 1.00 0.00 H new ATOM 0 HA ASN A 33 8.187 0.811 -12.002 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.339 -1.297 -13.162 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.094 0.410 -13.472 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.055 -0.131 -16.359 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.443 0.156 -15.696 1.00 0.00 H new ATOM 550 N LEU A 34 6.720 0.480 -9.618 1.00 0.00 N ATOM 551 CA LEU A 34 5.777 0.852 -8.571 1.00 0.00 C ATOM 552 C LEU A 34 6.391 1.923 -7.685 1.00 0.00 C ATOM 553 O LEU A 34 7.586 2.195 -7.772 1.00 0.00 O ATOM 554 CB LEU A 34 5.419 -0.374 -7.726 1.00 0.00 C ATOM 555 CG LEU A 34 4.730 -1.520 -8.475 1.00 0.00 C ATOM 556 CD1 LEU A 34 4.538 -2.717 -7.556 1.00 0.00 C ATOM 557 CD2 LEU A 34 3.390 -1.068 -9.035 1.00 0.00 C ATOM 0 H LEU A 34 7.649 0.237 -9.275 1.00 0.00 H new ATOM 0 HA LEU A 34 4.870 1.242 -9.033 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.332 -0.759 -7.272 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.769 -0.054 -6.912 1.00 0.00 H new ATOM 0 HG LEU A 34 5.370 -1.816 -9.306 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.047 -3.521 -8.104 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.509 -3.061 -7.199 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.920 -2.428 -6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.918 -1.897 -9.563 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.745 -0.744 -8.218 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.545 -0.239 -9.726 1.00 0.00 H new ATOM 569 N THR A 35 5.578 2.557 -6.856 1.00 0.00 N ATOM 570 CA THR A 35 6.098 3.506 -5.889 1.00 0.00 C ATOM 571 C THR A 35 6.059 2.906 -4.488 1.00 0.00 C ATOM 572 O THR A 35 5.394 1.891 -4.265 1.00 0.00 O ATOM 573 CB THR A 35 5.314 4.836 -5.897 1.00 0.00 C ATOM 574 OG1 THR A 35 3.957 4.617 -5.496 1.00 0.00 O ATOM 575 CG2 THR A 35 5.343 5.475 -7.276 1.00 0.00 C ATOM 0 H THR A 35 4.566 2.433 -6.833 1.00 0.00 H new ATOM 0 HA THR A 35 7.128 3.721 -6.175 1.00 0.00 H new ATOM 0 HB THR A 35 5.793 5.512 -5.189 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.659 3.739 -5.815 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.784 6.410 -7.255 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.375 5.676 -7.562 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.891 4.798 -8.000 1.00 0.00 H new ATOM 583 N LEU A 36 6.767 3.517 -3.547 1.00 0.00 N ATOM 584 CA LEU A 36 6.751 3.054 -2.163 1.00 0.00 C ATOM 585 C LEU A 36 5.328 3.083 -1.608 1.00 0.00 C ATOM 586 O LEU A 36 4.927 2.196 -0.850 1.00 0.00 O ATOM 587 CB LEU A 36 7.705 3.882 -1.283 1.00 0.00 C ATOM 588 CG LEU A 36 7.348 5.361 -1.049 1.00 0.00 C ATOM 589 CD1 LEU A 36 8.308 5.972 -0.040 1.00 0.00 C ATOM 590 CD2 LEU A 36 7.389 6.167 -2.340 1.00 0.00 C ATOM 0 H LEU A 36 7.358 4.331 -3.714 1.00 0.00 H new ATOM 0 HA LEU A 36 7.106 2.023 -2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.775 3.394 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.697 3.842 -1.732 1.00 0.00 H new ATOM 0 HG LEU A 36 6.329 5.395 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.049 7.019 0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.236 5.432 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.327 5.904 -0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.131 7.205 -2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.391 6.122 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.674 5.752 -3.051 1.00 0.00 H new ATOM 602 N SER A 37 4.565 4.090 -2.017 1.00 0.00 N ATOM 603 CA SER A 37 3.159 4.191 -1.661 1.00 0.00 C ATOM 604 C SER A 37 2.401 2.938 -2.106 1.00 0.00 C ATOM 605 O SER A 37 1.570 2.403 -1.367 1.00 0.00 O ATOM 606 CB SER A 37 2.547 5.435 -2.312 1.00 0.00 C ATOM 607 OG SER A 37 3.346 6.584 -2.071 1.00 0.00 O ATOM 0 H SER A 37 4.903 4.854 -2.601 1.00 0.00 H new ATOM 0 HA SER A 37 3.078 4.277 -0.577 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.448 5.276 -3.386 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.543 5.598 -1.920 1.00 0.00 H new ATOM 0 HG SER A 37 2.796 7.390 -2.161 1.00 0.00 H new ATOM 613 N ASP A 38 2.714 2.469 -3.314 1.00 0.00 N ATOM 614 CA ASP A 38 2.072 1.281 -3.868 1.00 0.00 C ATOM 615 C ASP A 38 2.405 0.058 -3.044 1.00 0.00 C ATOM 616 O ASP A 38 1.513 -0.652 -2.600 1.00 0.00 O ATOM 617 CB ASP A 38 2.506 1.022 -5.315 1.00 0.00 C ATOM 618 CG ASP A 38 1.936 2.013 -6.297 1.00 0.00 C ATOM 619 OD1 ASP A 38 0.716 1.965 -6.556 1.00 0.00 O ATOM 620 OD2 ASP A 38 2.709 2.834 -6.828 1.00 0.00 O ATOM 0 H ASP A 38 3.409 2.895 -3.927 1.00 0.00 H new ATOM 0 HA ASP A 38 0.998 1.468 -3.846 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.594 1.051 -5.371 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.199 0.017 -5.604 1.00 0.00 H new ATOM 625 N VAL A 39 3.690 -0.159 -2.815 1.00 0.00 N ATOM 626 CA VAL A 39 4.154 -1.369 -2.147 1.00 0.00 C ATOM 627 C VAL A 39 3.580 -1.474 -0.736 1.00 0.00 C ATOM 628 O VAL A 39 3.283 -2.566 -0.263 1.00 0.00 O ATOM 629 CB VAL A 39 5.699 -1.414 -2.083 1.00 0.00 C ATOM 630 CG1 VAL A 39 6.185 -2.710 -1.444 1.00 0.00 C ATOM 631 CG2 VAL A 39 6.295 -1.247 -3.473 1.00 0.00 C ATOM 0 H VAL A 39 4.433 0.487 -3.082 1.00 0.00 H new ATOM 0 HA VAL A 39 3.801 -2.217 -2.734 1.00 0.00 H new ATOM 0 HB VAL A 39 6.035 -0.586 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.275 -2.714 -1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.792 -2.785 -0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.836 -3.559 -2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.383 -1.281 -3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.944 -2.052 -4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.986 -0.288 -3.889 1.00 0.00 H new ATOM 641 N CYS A 40 3.397 -0.337 -0.085 1.00 0.00 N ATOM 642 CA CYS A 40 2.887 -0.309 1.281 1.00 0.00 C ATOM 643 C CYS A 40 1.409 -0.735 1.333 1.00 0.00 C ATOM 644 O CYS A 40 1.049 -1.654 2.061 1.00 0.00 O ATOM 645 CB CYS A 40 3.097 1.097 1.873 1.00 0.00 C ATOM 646 SG CYS A 40 3.257 1.164 3.665 1.00 0.00 S ATOM 0 H CYS A 40 3.594 0.583 -0.480 1.00 0.00 H new ATOM 0 HA CYS A 40 3.440 -1.028 1.885 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.993 1.530 1.429 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.258 1.727 1.576 1.00 0.00 H new ATOM 0 HG CYS A 40 2.189 0.666 4.215 1.00 0.00 H new ATOM 652 N ARG A 41 0.544 -0.055 0.591 1.00 0.00 N ATOM 653 CA ARG A 41 -0.856 -0.480 0.489 1.00 0.00 C ATOM 654 C ARG A 41 -0.996 -1.871 -0.160 1.00 0.00 C ATOM 655 O ARG A 41 -1.949 -2.592 0.116 1.00 0.00 O ATOM 656 CB ARG A 41 -1.700 0.577 -0.244 1.00 0.00 C ATOM 657 CG ARG A 41 -1.222 0.937 -1.644 1.00 0.00 C ATOM 658 CD ARG A 41 -1.703 -0.056 -2.691 1.00 0.00 C ATOM 659 NE ARG A 41 -1.294 0.345 -4.037 1.00 0.00 N ATOM 660 CZ ARG A 41 -1.908 -0.028 -5.161 1.00 0.00 C ATOM 661 NH1 ARG A 41 -2.960 -0.841 -5.128 1.00 0.00 N ATOM 662 NH2 ARG A 41 -1.457 0.411 -6.329 1.00 0.00 N ATOM 0 H ARG A 41 0.777 0.782 0.056 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.242 -0.571 1.504 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.726 0.216 -0.310 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.720 1.484 0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.578 1.934 -1.902 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.133 0.974 -1.655 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.303 -1.045 -2.467 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.789 -0.135 -2.648 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.480 0.954 -4.122 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.308 -1.188 -4.234 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.419 -1.117 -5.996 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.646 1.029 -6.363 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.921 0.130 -7.193 1.00 0.00 H new ATOM 676 N LEU A 42 -0.057 -2.252 -1.019 1.00 0.00 N ATOM 677 CA LEU A 42 -0.052 -3.607 -1.572 1.00 0.00 C ATOM 678 C LEU A 42 0.368 -4.600 -0.501 1.00 0.00 C ATOM 679 O LEU A 42 0.035 -5.789 -0.559 1.00 0.00 O ATOM 680 CB LEU A 42 0.881 -3.715 -2.782 1.00 0.00 C ATOM 681 CG LEU A 42 0.377 -3.030 -4.055 1.00 0.00 C ATOM 682 CD1 LEU A 42 1.410 -3.142 -5.166 1.00 0.00 C ATOM 683 CD2 LEU A 42 -0.949 -3.636 -4.493 1.00 0.00 C ATOM 0 H LEU A 42 0.702 -1.654 -1.346 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.063 -3.838 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.847 -3.286 -2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.049 -4.770 -2.998 1.00 0.00 H new ATOM 0 HG LEU A 42 0.219 -1.973 -3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.034 -2.650 -6.063 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.337 -2.663 -4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.600 -4.193 -5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.295 -3.139 -5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.815 -4.699 -4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.688 -3.504 -3.703 1.00 0.00 H new ATOM 695 N ALA A 43 1.083 -4.095 0.490 1.00 0.00 N ATOM 696 CA ALA A 43 1.506 -4.905 1.605 1.00 0.00 C ATOM 697 C ALA A 43 0.308 -5.277 2.469 1.00 0.00 C ATOM 698 O ALA A 43 0.175 -6.422 2.894 1.00 0.00 O ATOM 699 CB ALA A 43 2.555 -4.185 2.428 1.00 0.00 C ATOM 0 H ALA A 43 1.381 -3.121 0.539 1.00 0.00 H new ATOM 0 HA ALA A 43 1.953 -5.820 1.216 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.858 -4.816 3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.422 -3.968 1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.141 -3.252 2.810 1.00 0.00 H new ATOM 705 N ILE A 44 -0.582 -4.309 2.707 1.00 0.00 N ATOM 706 CA ILE A 44 -1.773 -4.567 3.506 1.00 0.00 C ATOM 707 C ILE A 44 -2.734 -5.461 2.739 1.00 0.00 C ATOM 708 O ILE A 44 -3.534 -6.172 3.333 1.00 0.00 O ATOM 709 CB ILE A 44 -2.505 -3.282 3.964 1.00 0.00 C ATOM 710 CG1 ILE A 44 -3.134 -2.539 2.782 1.00 0.00 C ATOM 711 CG2 ILE A 44 -1.548 -2.372 4.714 1.00 0.00 C ATOM 712 CD1 ILE A 44 -3.933 -1.316 3.188 1.00 0.00 C ATOM 0 H ILE A 44 -0.499 -3.353 2.361 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.429 -5.068 4.411 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.312 -3.579 4.633 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.345 -2.235 2.094 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.785 -3.224 2.238 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.075 -1.472 5.031 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.161 -2.893 5.590 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.720 -2.097 4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.348 -0.841 2.299 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.744 -1.615 3.852 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.282 -0.611 3.705 1.00 0.00 H new ATOM 724 N LYS A 45 -2.652 -5.418 1.412 1.00 0.00 N ATOM 725 CA LYS A 45 -3.421 -6.330 0.578 1.00 0.00 C ATOM 726 C LYS A 45 -3.052 -7.774 0.918 1.00 0.00 C ATOM 727 O LYS A 45 -3.917 -8.630 1.107 1.00 0.00 O ATOM 728 CB LYS A 45 -3.157 -6.073 -0.906 1.00 0.00 C ATOM 729 CG LYS A 45 -4.105 -6.820 -1.830 1.00 0.00 C ATOM 730 CD LYS A 45 -3.414 -7.268 -3.108 1.00 0.00 C ATOM 731 CE LYS A 45 -2.486 -8.446 -2.847 1.00 0.00 C ATOM 732 NZ LYS A 45 -1.775 -8.888 -4.075 1.00 0.00 N ATOM 0 H LYS A 45 -2.063 -4.764 0.896 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.480 -6.162 0.775 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.239 -5.004 -1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.132 -6.362 -1.140 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.508 -7.690 -1.311 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.950 -6.178 -2.080 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.162 -7.548 -3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.844 -6.438 -3.527 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.755 -8.169 -2.087 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.064 -9.278 -2.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.155 -9.692 -3.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.469 -9.179 -4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.202 -8.103 -4.446 1.00 0.00 H new ATOM 746 N GLU A 46 -1.748 -8.024 1.011 1.00 0.00 N ATOM 747 CA GLU A 46 -1.233 -9.343 1.344 1.00 0.00 C ATOM 748 C GLU A 46 -1.534 -9.636 2.809 1.00 0.00 C ATOM 749 O GLU A 46 -1.784 -10.778 3.199 1.00 0.00 O ATOM 750 CB GLU A 46 0.279 -9.380 1.095 1.00 0.00 C ATOM 751 CG GLU A 46 0.883 -10.774 1.106 1.00 0.00 C ATOM 752 CD GLU A 46 0.478 -11.597 -0.099 1.00 0.00 C ATOM 753 OE1 GLU A 46 0.735 -11.151 -1.238 1.00 0.00 O ATOM 754 OE2 GLU A 46 -0.092 -12.693 0.083 1.00 0.00 O ATOM 0 H GLU A 46 -1.025 -7.321 0.858 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.709 -10.099 0.720 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.488 -8.914 0.132 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.775 -8.776 1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.970 -10.694 1.138 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.575 -11.292 2.014 1.00 0.00 H new ATOM 761 N TYR A 47 -1.528 -8.573 3.604 1.00 0.00 N ATOM 762 CA TYR A 47 -1.819 -8.657 5.024 1.00 0.00 C ATOM 763 C TYR A 47 -3.249 -9.146 5.242 1.00 0.00 C ATOM 764 O TYR A 47 -3.506 -9.989 6.101 1.00 0.00 O ATOM 765 CB TYR A 47 -1.620 -7.282 5.667 1.00 0.00 C ATOM 766 CG TYR A 47 -1.812 -7.244 7.165 1.00 0.00 C ATOM 767 CD1 TYR A 47 -0.770 -7.572 8.025 1.00 0.00 C ATOM 768 CD2 TYR A 47 -3.025 -6.855 7.720 1.00 0.00 C ATOM 769 CE1 TYR A 47 -0.933 -7.514 9.394 1.00 0.00 C ATOM 770 CE2 TYR A 47 -3.198 -6.797 9.089 1.00 0.00 C ATOM 771 CZ TYR A 47 -2.149 -7.125 9.922 1.00 0.00 C ATOM 772 OH TYR A 47 -2.318 -7.061 11.289 1.00 0.00 O ATOM 0 H TYR A 47 -1.321 -7.629 3.279 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.139 -9.370 5.490 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.614 -6.932 5.436 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.316 -6.579 5.209 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.182 -7.877 7.615 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.847 -6.594 7.070 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.114 -7.771 10.049 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.149 -6.497 9.504 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.231 -6.769 11.492 1.00 0.00 H new ATOM 782 N LEU A 48 -4.171 -8.620 4.443 1.00 0.00 N ATOM 783 CA LEU A 48 -5.573 -9.005 4.521 1.00 0.00 C ATOM 784 C LEU A 48 -5.753 -10.462 4.120 1.00 0.00 C ATOM 785 O LEU A 48 -6.410 -11.235 4.815 1.00 0.00 O ATOM 786 CB LEU A 48 -6.433 -8.112 3.619 1.00 0.00 C ATOM 787 CG LEU A 48 -6.409 -6.620 3.958 1.00 0.00 C ATOM 788 CD1 LEU A 48 -7.299 -5.844 3.003 1.00 0.00 C ATOM 789 CD2 LEU A 48 -6.838 -6.385 5.397 1.00 0.00 C ATOM 0 H LEU A 48 -3.969 -7.920 3.729 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.897 -8.879 5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.101 -8.239 2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.464 -8.462 3.667 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.386 -6.262 3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.270 -4.785 3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.943 -5.981 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.323 -6.209 3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.813 -5.317 5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.851 -6.761 5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.158 -6.908 6.069 1.00 0.00 H new ATOM 801 N ASP A 49 -5.129 -10.825 3.012 1.00 0.00 N ATOM 802 CA ASP A 49 -5.271 -12.158 2.438 1.00 0.00 C ATOM 803 C ASP A 49 -4.821 -13.248 3.407 1.00 0.00 C ATOM 804 O ASP A 49 -5.514 -14.248 3.597 1.00 0.00 O ATOM 805 CB ASP A 49 -4.455 -12.246 1.152 1.00 0.00 C ATOM 806 CG ASP A 49 -4.670 -13.551 0.412 1.00 0.00 C ATOM 807 OD1 ASP A 49 -5.585 -13.612 -0.438 1.00 0.00 O ATOM 808 OD2 ASP A 49 -3.912 -14.514 0.655 1.00 0.00 O ATOM 0 H ASP A 49 -4.511 -10.208 2.484 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.328 -12.320 2.226 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.722 -11.415 0.499 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.397 -12.138 1.390 1.00 0.00 H new ATOM 813 N ASN A 50 -3.666 -13.048 4.024 1.00 0.00 N ATOM 814 CA ASN A 50 -3.078 -14.071 4.883 1.00 0.00 C ATOM 815 C ASN A 50 -3.690 -14.098 6.284 1.00 0.00 C ATOM 816 O ASN A 50 -3.722 -15.151 6.923 1.00 0.00 O ATOM 817 CB ASN A 50 -1.561 -13.881 4.980 1.00 0.00 C ATOM 818 CG ASN A 50 -0.859 -14.217 3.682 1.00 0.00 C ATOM 819 OD1 ASN A 50 -0.459 -15.359 3.457 1.00 0.00 O ATOM 820 ND2 ASN A 50 -0.709 -13.228 2.818 1.00 0.00 N ATOM 0 H ASN A 50 -3.118 -12.191 3.948 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.301 -15.031 4.418 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.342 -12.849 5.253 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.168 -14.511 5.778 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.247 -13.397 1.925 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.056 -12.296 3.045 1.00 0.00 H new ATOM 1084 N GLY B 10 13.802 8.087 8.512 1.00 0.00 N ATOM 1085 CA GLY B 10 12.370 7.969 8.351 1.00 0.00 C ATOM 1086 C GLY B 10 11.879 8.800 7.185 1.00 0.00 C ATOM 1087 O GLY B 10 12.029 10.022 7.173 1.00 0.00 O ATOM 0 HA2 GLY B 10 12.104 6.924 8.193 1.00 0.00 H new ATOM 0 HA3 GLY B 10 11.871 8.290 9.265 1.00 0.00 H new ATOM 1091 N ILE B 11 11.301 8.135 6.200 1.00 0.00 N ATOM 1092 CA ILE B 11 10.895 8.783 4.963 1.00 0.00 C ATOM 1093 C ILE B 11 9.378 8.907 4.921 1.00 0.00 C ATOM 1094 O ILE B 11 8.667 8.004 5.363 1.00 0.00 O ATOM 1095 CB ILE B 11 11.384 7.987 3.726 1.00 0.00 C ATOM 1096 CG1 ILE B 11 12.885 7.679 3.832 1.00 0.00 C ATOM 1097 CG2 ILE B 11 11.087 8.753 2.443 1.00 0.00 C ATOM 1098 CD1 ILE B 11 13.762 8.912 3.899 1.00 0.00 C ATOM 0 H ILE B 11 11.100 7.136 6.233 1.00 0.00 H new ATOM 0 HA ILE B 11 11.348 9.774 4.935 1.00 0.00 H new ATOM 0 HB ILE B 11 10.843 7.041 3.697 1.00 0.00 H new ATOM 0 HG12 ILE B 11 13.059 7.073 4.721 1.00 0.00 H new ATOM 0 HG13 ILE B 11 13.184 7.079 2.973 1.00 0.00 H new ATOM 0 HG21 ILE B 11 11.438 8.178 1.586 1.00 0.00 H new ATOM 0 HG22 ILE B 11 10.013 8.915 2.356 1.00 0.00 H new ATOM 0 HG23 ILE B 11 11.598 9.716 2.467 1.00 0.00 H new ATOM 0 HD11 ILE B 11 14.807 8.612 3.973 1.00 0.00 H new ATOM 0 HD12 ILE B 11 13.619 9.510 2.999 1.00 0.00 H new ATOM 0 HD13 ILE B 11 13.492 9.503 4.774 1.00 0.00 H new ATOM 1110 N LYS B 12 8.888 10.019 4.391 1.00 0.00 N ATOM 1111 CA LYS B 12 7.459 10.283 4.358 1.00 0.00 C ATOM 1112 C LYS B 12 6.903 9.989 2.976 1.00 0.00 C ATOM 1113 O LYS B 12 7.291 10.613 1.987 1.00 0.00 O ATOM 1114 CB LYS B 12 7.178 11.738 4.738 1.00 0.00 C ATOM 1115 CG LYS B 12 5.698 12.074 4.834 1.00 0.00 C ATOM 1116 CD LYS B 12 5.010 11.250 5.910 1.00 0.00 C ATOM 1117 CE LYS B 12 3.536 11.598 6.029 1.00 0.00 C ATOM 1118 NZ LYS B 12 3.315 13.017 6.427 1.00 0.00 N ATOM 0 H LYS B 12 9.462 10.754 3.977 1.00 0.00 H new ATOM 0 HA LYS B 12 6.969 9.631 5.081 1.00 0.00 H new ATOM 0 HB2 LYS B 12 7.652 11.951 5.696 1.00 0.00 H new ATOM 0 HB3 LYS B 12 7.642 12.392 4.000 1.00 0.00 H new ATOM 0 HG2 LYS B 12 5.578 13.135 5.054 1.00 0.00 H new ATOM 0 HG3 LYS B 12 5.219 11.892 3.872 1.00 0.00 H new ATOM 0 HD2 LYS B 12 5.116 10.190 5.680 1.00 0.00 H new ATOM 0 HD3 LYS B 12 5.502 11.419 6.868 1.00 0.00 H new ATOM 0 HE2 LYS B 12 3.044 11.411 5.075 1.00 0.00 H new ATOM 0 HE3 LYS B 12 3.069 10.941 6.763 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 2.322 13.148 6.707 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 3.935 13.254 7.228 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 3.533 13.641 5.624 1.00 0.00 H new ATOM 1132 N LEU B 13 6.004 9.028 2.916 1.00 0.00 N ATOM 1133 CA LEU B 13 5.415 8.610 1.660 1.00 0.00 C ATOM 1134 C LEU B 13 3.910 8.805 1.683 1.00 0.00 C ATOM 1135 O LEU B 13 3.253 8.577 2.704 1.00 0.00 O ATOM 1136 CB LEU B 13 5.759 7.146 1.357 1.00 0.00 C ATOM 1137 CG LEU B 13 5.706 6.181 2.551 1.00 0.00 C ATOM 1138 CD1 LEU B 13 5.422 4.764 2.077 1.00 0.00 C ATOM 1139 CD2 LEU B 13 7.022 6.216 3.326 1.00 0.00 C ATOM 0 H LEU B 13 5.663 8.518 3.730 1.00 0.00 H new ATOM 0 HA LEU B 13 5.832 9.232 0.868 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.073 6.783 0.591 1.00 0.00 H new ATOM 0 HB3 LEU B 13 6.761 7.110 0.930 1.00 0.00 H new ATOM 0 HG LEU B 13 4.900 6.500 3.212 1.00 0.00 H new ATOM 0 HD11 LEU B 13 5.388 4.093 2.935 1.00 0.00 H new ATOM 0 HD12 LEU B 13 4.464 4.739 1.559 1.00 0.00 H new ATOM 0 HD13 LEU B 13 6.211 4.443 1.397 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.967 5.526 4.168 1.00 0.00 H new ATOM 0 HD22 LEU B 13 7.840 5.921 2.668 1.00 0.00 H new ATOM 0 HD23 LEU B 13 7.200 7.226 3.695 1.00 0.00 H new ATOM 1151 N GLY B 14 3.376 9.252 0.558 1.00 0.00 N ATOM 1152 CA GLY B 14 1.957 9.471 0.450 1.00 0.00 C ATOM 1153 C GLY B 14 1.278 8.371 -0.329 1.00 0.00 C ATOM 1154 O GLY B 14 1.553 8.177 -1.515 1.00 0.00 O ATOM 0 H GLY B 14 3.907 9.467 -0.286 1.00 0.00 H new ATOM 0 HA2 GLY B 14 1.522 9.532 1.447 1.00 0.00 H new ATOM 0 HA3 GLY B 14 1.773 10.428 -0.037 1.00 0.00 H new ATOM 1158 N VAL B 15 0.408 7.633 0.337 1.00 0.00 N ATOM 1159 CA VAL B 15 -0.325 6.552 -0.303 1.00 0.00 C ATOM 1160 C VAL B 15 -1.772 6.984 -0.547 1.00 0.00 C ATOM 1161 O VAL B 15 -2.275 7.890 0.123 1.00 0.00 O ATOM 1162 CB VAL B 15 -0.286 5.259 0.559 1.00 0.00 C ATOM 1163 CG1 VAL B 15 -0.865 4.069 -0.196 1.00 0.00 C ATOM 1164 CG2 VAL B 15 1.136 4.962 1.013 1.00 0.00 C ATOM 0 H VAL B 15 0.190 7.762 1.325 1.00 0.00 H new ATOM 0 HA VAL B 15 0.152 6.330 -1.258 1.00 0.00 H new ATOM 0 HB VAL B 15 -0.906 5.428 1.440 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -0.822 3.182 0.436 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -1.902 4.276 -0.461 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -0.286 3.897 -1.103 1.00 0.00 H new ATOM 0 HG21 VAL B 15 1.143 4.053 1.615 1.00 0.00 H new ATOM 0 HG22 VAL B 15 1.775 4.825 0.141 1.00 0.00 H new ATOM 0 HG23 VAL B 15 1.509 5.795 1.609 1.00 0.00 H new ATOM 1174 N TYR B 16 -2.429 6.355 -1.516 1.00 0.00 N ATOM 1175 CA TYR B 16 -3.824 6.650 -1.820 1.00 0.00 C ATOM 1176 C TYR B 16 -4.612 5.374 -2.051 1.00 0.00 C ATOM 1177 O TYR B 16 -4.256 4.562 -2.902 1.00 0.00 O ATOM 1178 CB TYR B 16 -3.941 7.547 -3.047 1.00 0.00 C ATOM 1179 CG TYR B 16 -3.896 9.019 -2.721 1.00 0.00 C ATOM 1180 CD1 TYR B 16 -2.691 9.698 -2.628 1.00 0.00 C ATOM 1181 CD2 TYR B 16 -5.068 9.728 -2.496 1.00 0.00 C ATOM 1182 CE1 TYR B 16 -2.653 11.044 -2.326 1.00 0.00 C ATOM 1183 CE2 TYR B 16 -5.039 11.072 -2.193 1.00 0.00 C ATOM 1184 CZ TYR B 16 -3.830 11.728 -2.108 1.00 0.00 C ATOM 1185 OH TYR B 16 -3.795 13.074 -1.817 1.00 0.00 O ATOM 0 H TYR B 16 -2.015 5.634 -2.107 1.00 0.00 H new ATOM 0 HA TYR B 16 -4.239 7.173 -0.959 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -3.132 7.311 -3.739 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -4.876 7.325 -3.562 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -1.767 9.165 -2.795 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -6.018 9.218 -2.559 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -1.706 11.559 -2.261 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -5.960 11.609 -2.023 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.709 13.406 -1.692 1.00 0.00 H new ATOM 1195 N ILE B 17 -5.679 5.208 -1.282 1.00 0.00 N ATOM 1196 CA ILE B 17 -6.550 4.047 -1.410 1.00 0.00 C ATOM 1197 C ILE B 17 -7.992 4.421 -1.070 1.00 0.00 C ATOM 1198 O ILE B 17 -8.229 5.442 -0.417 1.00 0.00 O ATOM 1199 CB ILE B 17 -6.106 2.873 -0.505 1.00 0.00 C ATOM 1200 CG1 ILE B 17 -5.884 3.346 0.935 1.00 0.00 C ATOM 1201 CG2 ILE B 17 -4.855 2.197 -1.056 1.00 0.00 C ATOM 1202 CD1 ILE B 17 -5.488 2.234 1.885 1.00 0.00 C ATOM 0 H ILE B 17 -5.964 5.867 -0.558 1.00 0.00 H new ATOM 0 HA ILE B 17 -6.482 3.719 -2.447 1.00 0.00 H new ATOM 0 HB ILE B 17 -6.908 2.135 -0.498 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -5.108 4.111 0.941 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -6.798 3.815 1.299 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -4.566 1.376 -0.400 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -5.061 1.809 -2.054 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -4.043 2.922 -1.109 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -5.348 2.643 2.886 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -6.273 1.479 1.909 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.557 1.779 1.545 1.00 0.00 H new ATOM 1214 N PRO B 18 -8.965 3.598 -1.507 1.00 0.00 N ATOM 1215 CA PRO B 18 -10.396 3.825 -1.255 1.00 0.00 C ATOM 1216 C PRO B 18 -10.702 4.089 0.217 1.00 0.00 C ATOM 1217 O PRO B 18 -10.050 3.556 1.119 1.00 0.00 O ATOM 1218 CB PRO B 18 -11.062 2.516 -1.708 1.00 0.00 C ATOM 1219 CG PRO B 18 -9.946 1.549 -1.929 1.00 0.00 C ATOM 1220 CD PRO B 18 -8.755 2.376 -2.296 1.00 0.00 C ATOM 0 HA PRO B 18 -10.756 4.708 -1.783 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -11.755 2.147 -0.952 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -11.637 2.665 -2.622 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -9.753 0.963 -1.030 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -10.192 0.844 -2.723 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.820 1.880 -2.036 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -8.719 2.584 -3.365 1.00 0.00 H new ATOM 1228 N GLN B 19 -11.711 4.917 0.451 1.00 0.00 N ATOM 1229 CA GLN B 19 -12.109 5.284 1.805 1.00 0.00 C ATOM 1230 C GLN B 19 -12.721 4.091 2.512 1.00 0.00 C ATOM 1231 O GLN B 19 -12.638 3.970 3.728 1.00 0.00 O ATOM 1232 CB GLN B 19 -13.108 6.430 1.768 1.00 0.00 C ATOM 1233 CG GLN B 19 -14.424 6.047 1.125 1.00 0.00 C ATOM 1234 CD GLN B 19 -15.202 7.254 0.666 1.00 0.00 C ATOM 1235 OE1 GLN B 19 -15.028 7.721 -0.454 1.00 0.00 O ATOM 1236 NE2 GLN B 19 -16.062 7.770 1.528 1.00 0.00 N ATOM 0 H GLN B 19 -12.272 5.350 -0.283 1.00 0.00 H new ATOM 0 HA GLN B 19 -11.223 5.605 2.352 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -13.294 6.776 2.785 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -12.673 7.267 1.221 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -14.235 5.393 0.274 1.00 0.00 H new ATOM 0 HG3 GLN B 19 -15.023 5.479 1.837 1.00 0.00 H new ATOM 0 HE21 GLN B 19 -16.175 7.349 2.450 1.00 0.00 H new ATOM 0 HE22 GLN B 19 -16.613 8.589 1.271 1.00 0.00 H new ATOM 1245 N GLU B 20 -13.350 3.222 1.731 1.00 0.00 N ATOM 1246 CA GLU B 20 -13.860 1.953 2.240 1.00 0.00 C ATOM 1247 C GLU B 20 -12.748 1.166 2.930 1.00 0.00 C ATOM 1248 O GLU B 20 -12.964 0.512 3.954 1.00 0.00 O ATOM 1249 CB GLU B 20 -14.442 1.123 1.099 1.00 0.00 C ATOM 1250 CG GLU B 20 -15.563 1.817 0.344 1.00 0.00 C ATOM 1251 CD GLU B 20 -16.189 0.921 -0.702 1.00 0.00 C ATOM 1252 OE1 GLU B 20 -17.025 0.069 -0.332 1.00 0.00 O ATOM 1253 OE2 GLU B 20 -15.851 1.064 -1.893 1.00 0.00 O ATOM 0 H GLU B 20 -13.520 3.373 0.737 1.00 0.00 H new ATOM 0 HA GLU B 20 -14.644 2.167 2.966 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -13.644 0.876 0.399 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -14.816 0.182 1.501 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -16.329 2.139 1.050 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -15.174 2.715 -0.135 1.00 0.00 H new ATOM 1260 N TRP B 21 -11.541 1.282 2.393 1.00 0.00 N ATOM 1261 CA TRP B 21 -10.403 0.562 2.925 1.00 0.00 C ATOM 1262 C TRP B 21 -9.871 1.301 4.142 1.00 0.00 C ATOM 1263 O TRP B 21 -9.395 0.689 5.089 1.00 0.00 O ATOM 1264 CB TRP B 21 -9.312 0.439 1.858 1.00 0.00 C ATOM 1265 CG TRP B 21 -8.882 -0.972 1.582 1.00 0.00 C ATOM 1266 CD1 TRP B 21 -9.576 -2.118 1.850 1.00 0.00 C ATOM 1267 CD2 TRP B 21 -7.660 -1.381 0.960 1.00 0.00 C ATOM 1268 NE1 TRP B 21 -8.852 -3.212 1.442 1.00 0.00 N ATOM 1269 CE2 TRP B 21 -7.674 -2.786 0.891 1.00 0.00 C ATOM 1270 CE3 TRP B 21 -6.555 -0.695 0.457 1.00 0.00 C ATOM 1271 CZ2 TRP B 21 -6.621 -3.512 0.337 1.00 0.00 C ATOM 1272 CZ3 TRP B 21 -5.514 -1.414 -0.091 1.00 0.00 C ATOM 1273 CH2 TRP B 21 -5.552 -2.808 -0.148 1.00 0.00 C ATOM 0 H TRP B 21 -11.329 1.871 1.587 1.00 0.00 H new ATOM 0 HA TRP B 21 -10.711 -0.442 3.218 1.00 0.00 H new ATOM 0 HB2 TRP B 21 -9.673 0.885 0.931 1.00 0.00 H new ATOM 0 HB3 TRP B 21 -8.443 1.017 2.173 1.00 0.00 H new ATOM 0 HD1 TRP B 21 -10.550 -2.158 2.314 1.00 0.00 H new ATOM 0 HE1 TRP B 21 -9.145 -4.185 1.535 1.00 0.00 H new ATOM 0 HE3 TRP B 21 -6.515 0.384 0.496 1.00 0.00 H new ATOM 0 HZ2 TRP B 21 -6.648 -4.591 0.292 1.00 0.00 H new ATOM 0 HZ3 TRP B 21 -4.655 -0.890 -0.483 1.00 0.00 H new ATOM 0 HH2 TRP B 21 -4.721 -3.342 -0.584 1.00 0.00 H new ATOM 1284 N HIS B 22 -9.992 2.625 4.126 1.00 0.00 N ATOM 1285 CA HIS B 22 -9.630 3.434 5.285 1.00 0.00 C ATOM 1286 C HIS B 22 -10.529 3.089 6.464 1.00 0.00 C ATOM 1287 O HIS B 22 -10.051 2.863 7.569 1.00 0.00 O ATOM 1288 CB HIS B 22 -9.747 4.934 4.982 1.00 0.00 C ATOM 1289 CG HIS B 22 -8.601 5.504 4.200 1.00 0.00 C ATOM 1290 ND1 HIS B 22 -7.734 6.447 4.714 1.00 0.00 N ATOM 1291 CD2 HIS B 22 -8.189 5.276 2.931 1.00 0.00 C ATOM 1292 CE1 HIS B 22 -6.848 6.777 3.797 1.00 0.00 C ATOM 1293 NE2 HIS B 22 -7.100 6.082 2.704 1.00 0.00 N ATOM 0 H HIS B 22 -10.336 3.158 3.328 1.00 0.00 H new ATOM 0 HA HIS B 22 -8.592 3.211 5.532 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -10.670 5.109 4.429 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -9.832 5.476 5.924 1.00 0.00 H new ATOM 0 HD1 HIS B 22 -7.773 6.830 5.659 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -8.634 4.588 2.227 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -6.050 7.495 3.919 1.00 0.00 H new ATOM 1302 N ASP B 23 -11.830 3.024 6.198 1.00 0.00 N ATOM 1303 CA ASP B 23 -12.832 2.794 7.233 1.00 0.00 C ATOM 1304 C ASP B 23 -12.584 1.491 7.982 1.00 0.00 C ATOM 1305 O ASP B 23 -12.440 1.495 9.208 1.00 0.00 O ATOM 1306 CB ASP B 23 -14.235 2.782 6.619 1.00 0.00 C ATOM 1307 CG ASP B 23 -15.317 2.453 7.633 1.00 0.00 C ATOM 1308 OD1 ASP B 23 -15.647 3.320 8.469 1.00 0.00 O ATOM 1309 OD2 ASP B 23 -15.860 1.331 7.588 1.00 0.00 O ATOM 0 H ASP B 23 -12.219 3.129 5.261 1.00 0.00 H new ATOM 0 HA ASP B 23 -12.755 3.612 7.950 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.442 3.757 6.177 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -14.267 2.052 5.810 1.00 0.00 H new ATOM 1314 N ARG B 24 -12.498 0.384 7.253 1.00 0.00 N ATOM 1315 CA ARG B 24 -12.368 -0.915 7.901 1.00 0.00 C ATOM 1316 C ARG B 24 -10.963 -1.134 8.453 1.00 0.00 C ATOM 1317 O ARG B 24 -10.804 -1.732 9.518 1.00 0.00 O ATOM 1318 CB ARG B 24 -12.750 -2.060 6.957 1.00 0.00 C ATOM 1319 CG ARG B 24 -14.239 -2.382 6.962 1.00 0.00 C ATOM 1320 CD ARG B 24 -15.037 -1.435 6.081 1.00 0.00 C ATOM 1321 NE ARG B 24 -14.854 -1.738 4.660 1.00 0.00 N ATOM 1322 CZ ARG B 24 -15.635 -1.274 3.680 1.00 0.00 C ATOM 1323 NH1 ARG B 24 -16.623 -0.427 3.950 1.00 0.00 N ATOM 1324 NH2 ARG B 24 -15.411 -1.658 2.425 1.00 0.00 N ATOM 0 H ARG B 24 -12.515 0.358 6.233 1.00 0.00 H new ATOM 0 HA ARG B 24 -13.066 -0.916 8.738 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -12.446 -1.801 5.943 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -12.192 -2.953 7.238 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -14.388 -3.406 6.619 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -14.616 -2.329 7.983 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -16.095 -1.505 6.335 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -14.729 -0.408 6.277 1.00 0.00 H new ATOM 0 HE ARG B 24 -14.077 -2.345 4.400 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -16.789 -0.127 4.911 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -17.215 -0.077 3.197 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -14.648 -2.302 2.217 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -16.003 -1.308 1.671 1.00 0.00 H new ATOM 1338 N LEU B 25 -9.951 -0.640 7.751 1.00 0.00 N ATOM 1339 CA LEU B 25 -8.573 -0.786 8.214 1.00 0.00 C ATOM 1340 C LEU B 25 -8.337 0.004 9.491 1.00 0.00 C ATOM 1341 O LEU B 25 -7.777 -0.520 10.450 1.00 0.00 O ATOM 1342 CB LEU B 25 -7.576 -0.346 7.140 1.00 0.00 C ATOM 1343 CG LEU B 25 -6.987 -1.476 6.281 1.00 0.00 C ATOM 1344 CD1 LEU B 25 -6.198 -2.449 7.143 1.00 0.00 C ATOM 1345 CD2 LEU B 25 -8.082 -2.211 5.522 1.00 0.00 C ATOM 0 H LEU B 25 -10.054 -0.140 6.868 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.414 -1.844 8.422 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -8.070 0.368 6.481 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -6.756 0.183 7.625 1.00 0.00 H new ATOM 0 HG LEU B 25 -6.310 -1.027 5.554 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -5.789 -3.242 6.516 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -5.383 -1.920 7.636 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -6.856 -2.884 7.895 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -7.638 -3.006 4.922 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -8.789 -2.643 6.231 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -8.604 -1.512 4.869 1.00 0.00 H new ATOM 1357 N MET B 26 -8.774 1.258 9.505 1.00 0.00 N ATOM 1358 CA MET B 26 -8.577 2.122 10.662 1.00 0.00 C ATOM 1359 C MET B 26 -9.290 1.598 11.898 1.00 0.00 C ATOM 1360 O MET B 26 -8.800 1.768 13.007 1.00 0.00 O ATOM 1361 CB MET B 26 -9.028 3.547 10.361 1.00 0.00 C ATOM 1362 CG MET B 26 -8.018 4.333 9.549 1.00 0.00 C ATOM 1363 SD MET B 26 -6.540 4.750 10.501 1.00 0.00 S ATOM 1364 CE MET B 26 -7.229 5.791 11.789 1.00 0.00 C ATOM 0 H MET B 26 -9.267 1.699 8.728 1.00 0.00 H new ATOM 0 HA MET B 26 -7.508 2.125 10.874 1.00 0.00 H new ATOM 0 HB2 MET B 26 -9.974 3.515 9.820 1.00 0.00 H new ATOM 0 HB3 MET B 26 -9.215 4.068 11.300 1.00 0.00 H new ATOM 0 HG2 MET B 26 -7.730 3.752 8.673 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.483 5.249 9.185 1.00 0.00 H new ATOM 0 HE1 MET B 26 -6.453 6.450 12.178 1.00 0.00 H new ATOM 0 HE2 MET B 26 -8.041 6.390 11.377 1.00 0.00 H new ATOM 0 HE3 MET B 26 -7.613 5.166 12.596 1.00 0.00 H new ATOM 1374 N GLU B 27 -10.445 0.972 11.714 1.00 0.00 N ATOM 1375 CA GLU B 27 -11.176 0.405 12.842 1.00 0.00 C ATOM 1376 C GLU B 27 -10.439 -0.793 13.435 1.00 0.00 C ATOM 1377 O GLU B 27 -10.347 -0.938 14.657 1.00 0.00 O ATOM 1378 CB GLU B 27 -12.600 0.038 12.434 1.00 0.00 C ATOM 1379 CG GLU B 27 -13.479 1.260 12.240 1.00 0.00 C ATOM 1380 CD GLU B 27 -13.473 2.165 13.456 1.00 0.00 C ATOM 1381 OE1 GLU B 27 -14.041 1.769 14.494 1.00 0.00 O ATOM 1382 OE2 GLU B 27 -12.902 3.276 13.383 1.00 0.00 O ATOM 0 H GLU B 27 -10.893 0.844 10.806 1.00 0.00 H new ATOM 0 HA GLU B 27 -11.237 1.165 13.621 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -12.573 -0.538 11.509 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -13.039 -0.605 13.197 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -13.134 1.820 11.370 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -14.500 0.942 12.030 1.00 0.00 H new ATOM 1389 N ILE B 28 -9.886 -1.637 12.574 1.00 0.00 N ATOM 1390 CA ILE B 28 -9.032 -2.720 13.035 1.00 0.00 C ATOM 1391 C ILE B 28 -7.800 -2.121 13.707 1.00 0.00 C ATOM 1392 O ILE B 28 -7.308 -2.614 14.726 1.00 0.00 O ATOM 1393 CB ILE B 28 -8.601 -3.647 11.873 1.00 0.00 C ATOM 1394 CG1 ILE B 28 -9.831 -4.262 11.197 1.00 0.00 C ATOM 1395 CG2 ILE B 28 -7.670 -4.742 12.376 1.00 0.00 C ATOM 1396 CD1 ILE B 28 -9.502 -5.132 10.000 1.00 0.00 C ATOM 0 H ILE B 28 -10.012 -1.593 11.563 1.00 0.00 H new ATOM 0 HA ILE B 28 -9.595 -3.328 13.743 1.00 0.00 H new ATOM 0 HB ILE B 28 -8.062 -3.049 11.139 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -10.376 -4.859 11.929 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -10.498 -3.460 10.879 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -7.379 -5.383 11.544 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -6.780 -4.290 12.815 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -8.184 -5.338 13.130 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -10.423 -5.531 9.576 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -8.985 -4.536 9.248 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -8.861 -5.956 10.314 1.00 0.00 H new ATOM 1408 N ALA B 29 -7.334 -1.022 13.136 1.00 0.00 N ATOM 1409 CA ALA B 29 -6.217 -0.275 13.681 1.00 0.00 C ATOM 1410 C ALA B 29 -6.556 0.311 15.053 1.00 0.00 C ATOM 1411 O ALA B 29 -5.666 0.583 15.849 1.00 0.00 O ATOM 1412 CB ALA B 29 -5.793 0.814 12.710 1.00 0.00 C ATOM 0 H ALA B 29 -7.722 -0.624 12.281 1.00 0.00 H new ATOM 0 HA ALA B 29 -5.381 -0.961 13.820 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -4.954 1.369 13.129 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -5.493 0.362 11.765 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -6.628 1.494 12.539 1.00 0.00 H new ATOM 1418 N LYS B 30 -7.844 0.460 15.350 1.00 0.00 N ATOM 1419 CA LYS B 30 -8.260 0.993 16.645 1.00 0.00 C ATOM 1420 C LYS B 30 -8.080 -0.082 17.693 1.00 0.00 C ATOM 1421 O LYS B 30 -7.678 0.189 18.826 1.00 0.00 O ATOM 1422 CB LYS B 30 -9.731 1.430 16.637 1.00 0.00 C ATOM 1423 CG LYS B 30 -10.084 2.456 15.575 1.00 0.00 C ATOM 1424 CD LYS B 30 -9.363 3.773 15.791 1.00 0.00 C ATOM 1425 CE LYS B 30 -9.768 4.799 14.747 1.00 0.00 C ATOM 1426 NZ LYS B 30 -11.230 5.076 14.782 1.00 0.00 N ATOM 0 H LYS B 30 -8.610 0.222 14.720 1.00 0.00 H new ATOM 0 HA LYS B 30 -7.647 1.867 16.864 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -10.356 0.549 16.493 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -9.979 1.841 17.616 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -9.829 2.061 14.591 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -11.160 2.627 15.581 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -9.589 4.155 16.787 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -8.286 3.612 15.748 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -9.218 5.725 14.915 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -9.490 4.439 13.756 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -11.416 6.011 14.367 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -11.734 4.348 14.236 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -11.562 5.062 15.767 1.00 0.00 H new ATOM 1440 N GLU B 31 -8.372 -1.307 17.294 1.00 0.00 N ATOM 1441 CA GLU B 31 -8.168 -2.466 18.151 1.00 0.00 C ATOM 1442 C GLU B 31 -6.694 -2.604 18.513 1.00 0.00 C ATOM 1443 O GLU B 31 -6.343 -2.957 19.639 1.00 0.00 O ATOM 1444 CB GLU B 31 -8.626 -3.736 17.446 1.00 0.00 C ATOM 1445 CG GLU B 31 -9.981 -3.613 16.777 1.00 0.00 C ATOM 1446 CD GLU B 31 -10.374 -4.878 16.052 1.00 0.00 C ATOM 1447 OE1 GLU B 31 -9.571 -5.377 15.235 1.00 0.00 O ATOM 1448 OE2 GLU B 31 -11.494 -5.380 16.291 1.00 0.00 O ATOM 0 H GLU B 31 -8.754 -1.528 16.375 1.00 0.00 H new ATOM 0 HA GLU B 31 -8.755 -2.323 19.058 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -7.885 -4.011 16.695 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -8.662 -4.549 18.171 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -10.735 -3.377 17.528 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -9.962 -2.782 16.072 1.00 0.00 H new ATOM 1455 N LYS B 32 -5.836 -2.303 17.544 1.00 0.00 N ATOM 1456 CA LYS B 32 -4.398 -2.503 17.692 1.00 0.00 C ATOM 1457 C LYS B 32 -3.700 -1.249 18.222 1.00 0.00 C ATOM 1458 O LYS B 32 -2.496 -1.270 18.490 1.00 0.00 O ATOM 1459 CB LYS B 32 -3.773 -2.919 16.353 1.00 0.00 C ATOM 1460 CG LYS B 32 -3.967 -4.391 15.982 1.00 0.00 C ATOM 1461 CD LYS B 32 -5.437 -4.777 15.880 1.00 0.00 C ATOM 1462 CE LYS B 32 -5.615 -6.198 15.368 1.00 0.00 C ATOM 1463 NZ LYS B 32 -7.025 -6.659 15.476 1.00 0.00 N ATOM 0 H LYS B 32 -6.114 -1.917 16.642 1.00 0.00 H new ATOM 0 HA LYS B 32 -4.256 -3.300 18.421 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -4.198 -2.301 15.562 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -2.705 -2.705 16.385 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -3.475 -4.590 15.030 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -3.481 -5.018 16.729 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -5.906 -4.682 16.859 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -5.949 -4.084 15.213 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -5.296 -6.251 14.327 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -4.970 -6.870 15.934 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -7.197 -7.416 14.784 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -7.199 -7.021 16.435 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -7.666 -5.863 15.284 1.00 0.00 H new ATOM 1477 N ASN B 33 -4.471 -0.166 18.378 1.00 0.00 N ATOM 1478 CA ASN B 33 -3.954 1.121 18.871 1.00 0.00 C ATOM 1479 C ASN B 33 -2.942 1.706 17.886 1.00 0.00 C ATOM 1480 O ASN B 33 -1.921 2.273 18.277 1.00 0.00 O ATOM 1481 CB ASN B 33 -3.309 0.965 20.261 1.00 0.00 C ATOM 1482 CG ASN B 33 -4.258 0.406 21.307 1.00 0.00 C ATOM 1483 OD1 ASN B 33 -3.843 -0.317 22.211 1.00 0.00 O ATOM 1484 ND2 ASN B 33 -5.535 0.732 21.199 1.00 0.00 N ATOM 0 H ASN B 33 -5.469 -0.155 18.167 1.00 0.00 H new ATOM 0 HA ASN B 33 -4.797 1.806 18.960 1.00 0.00 H new ATOM 0 HB2 ASN B 33 -2.442 0.309 20.180 1.00 0.00 H new ATOM 0 HB3 ASN B 33 -2.943 1.936 20.595 1.00 0.00 H new ATOM 0 HD21 ASN B 33 -6.210 0.381 21.878 1.00 0.00 H new ATOM 0 HD22 ASN B 33 -5.845 1.334 20.436 1.00 0.00 H new ATOM 1491 N LEU B 34 -3.252 1.565 16.607 1.00 0.00 N ATOM 1492 CA LEU B 34 -2.368 1.973 15.527 1.00 0.00 C ATOM 1493 C LEU B 34 -3.156 2.752 14.477 1.00 0.00 C ATOM 1494 O LEU B 34 -4.384 2.800 14.525 1.00 0.00 O ATOM 1495 CB LEU B 34 -1.729 0.741 14.880 1.00 0.00 C ATOM 1496 CG LEU B 34 -0.839 -0.100 15.799 1.00 0.00 C ATOM 1497 CD1 LEU B 34 -0.396 -1.369 15.094 1.00 0.00 C ATOM 1498 CD2 LEU B 34 0.369 0.702 16.253 1.00 0.00 C ATOM 0 H LEU B 34 -4.132 1.161 16.287 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.584 2.611 15.935 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.523 0.104 14.490 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.134 1.068 14.027 1.00 0.00 H new ATOM 0 HG LEU B 34 -1.420 -0.377 16.679 1.00 0.00 H new ATOM 0 HD11 LEU B 34 0.236 -1.955 15.762 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -1.272 -1.955 14.816 1.00 0.00 H new ATOM 0 HD13 LEU B 34 0.167 -1.110 14.197 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.989 0.087 16.905 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.950 1.009 15.383 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.035 1.586 16.797 1.00 0.00 H new ATOM 1510 N THR B 35 -2.452 3.383 13.554 1.00 0.00 N ATOM 1511 CA THR B 35 -3.099 4.030 12.427 1.00 0.00 C ATOM 1512 C THR B 35 -2.926 3.169 11.184 1.00 0.00 C ATOM 1513 O THR B 35 -2.085 2.267 11.178 1.00 0.00 O ATOM 1514 CB THR B 35 -2.523 5.435 12.157 1.00 0.00 C ATOM 1515 OG1 THR B 35 -1.106 5.359 11.931 1.00 0.00 O ATOM 1516 CG2 THR B 35 -2.807 6.371 13.320 1.00 0.00 C ATOM 0 H THR B 35 -1.435 3.461 13.563 1.00 0.00 H new ATOM 0 HA THR B 35 -4.155 4.144 12.671 1.00 0.00 H new ATOM 0 HB THR B 35 -3.008 5.831 11.265 1.00 0.00 H new ATOM 0 HG1 THR B 35 -0.653 5.125 12.768 1.00 0.00 H new ATOM 0 HG21 THR B 35 -2.391 7.355 13.105 1.00 0.00 H new ATOM 0 HG22 THR B 35 -3.884 6.456 13.464 1.00 0.00 H new ATOM 0 HG23 THR B 35 -2.350 5.974 14.227 1.00 0.00 H new ATOM 1524 N LEU B 36 -3.709 3.417 10.140 1.00 0.00 N ATOM 1525 CA LEU B 36 -3.607 2.612 8.925 1.00 0.00 C ATOM 1526 C LEU B 36 -2.199 2.707 8.341 1.00 0.00 C ATOM 1527 O LEU B 36 -1.689 1.750 7.760 1.00 0.00 O ATOM 1528 CB LEU B 36 -4.660 3.016 7.883 1.00 0.00 C ATOM 1529 CG LEU B 36 -4.375 4.282 7.065 1.00 0.00 C ATOM 1530 CD1 LEU B 36 -5.353 4.375 5.906 1.00 0.00 C ATOM 1531 CD2 LEU B 36 -4.465 5.537 7.923 1.00 0.00 C ATOM 0 H LEU B 36 -4.411 4.156 10.108 1.00 0.00 H new ATOM 0 HA LEU B 36 -3.804 1.575 9.196 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.787 2.185 7.189 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -5.612 3.151 8.397 1.00 0.00 H new ATOM 0 HG LEU B 36 -3.357 4.213 6.682 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -5.147 5.276 5.328 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -5.243 3.500 5.266 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.372 4.417 6.292 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -4.257 6.413 7.309 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -5.467 5.619 8.344 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -3.735 5.479 8.731 1.00 0.00 H new ATOM 1543 N SER B 37 -1.575 3.863 8.523 1.00 0.00 N ATOM 1544 CA SER B 37 -0.194 4.070 8.124 1.00 0.00 C ATOM 1545 C SER B 37 0.724 3.052 8.800 1.00 0.00 C ATOM 1546 O SER B 37 1.588 2.445 8.156 1.00 0.00 O ATOM 1547 CB SER B 37 0.233 5.487 8.498 1.00 0.00 C ATOM 1548 OG SER B 37 -0.674 6.446 7.977 1.00 0.00 O ATOM 0 H SER B 37 -2.012 4.680 8.950 1.00 0.00 H new ATOM 0 HA SER B 37 -0.115 3.936 7.045 1.00 0.00 H new ATOM 0 HB2 SER B 37 0.284 5.581 9.583 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.234 5.682 8.114 1.00 0.00 H new ATOM 0 HG SER B 37 -0.182 7.252 7.713 1.00 0.00 H new ATOM 1554 N ASP B 38 0.511 2.853 10.098 1.00 0.00 N ATOM 1555 CA ASP B 38 1.302 1.902 10.867 1.00 0.00 C ATOM 1556 C ASP B 38 1.055 0.497 10.359 1.00 0.00 C ATOM 1557 O ASP B 38 1.990 -0.268 10.148 1.00 0.00 O ATOM 1558 CB ASP B 38 0.960 1.965 12.358 1.00 0.00 C ATOM 1559 CG ASP B 38 1.212 3.325 12.963 1.00 0.00 C ATOM 1560 OD1 ASP B 38 2.343 3.837 12.846 1.00 0.00 O ATOM 1561 OD2 ASP B 38 0.272 3.897 13.551 1.00 0.00 O ATOM 0 H ASP B 38 -0.204 3.339 10.638 1.00 0.00 H new ATOM 0 HA ASP B 38 2.352 2.166 10.742 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -0.088 1.700 12.496 1.00 0.00 H new ATOM 0 HB3 ASP B 38 1.550 1.220 12.892 1.00 0.00 H new ATOM 1566 N VAL B 39 -0.210 0.177 10.136 1.00 0.00 N ATOM 1567 CA VAL B 39 -0.590 -1.144 9.659 1.00 0.00 C ATOM 1568 C VAL B 39 -0.008 -1.401 8.271 1.00 0.00 C ATOM 1569 O VAL B 39 0.349 -2.529 7.944 1.00 0.00 O ATOM 1570 CB VAL B 39 -2.128 -1.308 9.608 1.00 0.00 C ATOM 1571 CG1 VAL B 39 -2.516 -2.710 9.154 1.00 0.00 C ATOM 1572 CG2 VAL B 39 -2.748 -0.994 10.963 1.00 0.00 C ATOM 0 H VAL B 39 -0.993 0.815 10.278 1.00 0.00 H new ATOM 0 HA VAL B 39 -0.187 -1.871 10.364 1.00 0.00 H new ATOM 0 HB VAL B 39 -2.516 -0.598 8.878 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -3.602 -2.796 9.128 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -2.113 -2.895 8.158 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -2.111 -3.443 9.851 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -3.830 -1.115 10.905 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -2.346 -1.675 11.714 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -2.513 0.033 11.242 1.00 0.00 H new ATOM 1582 N CYS B 40 0.120 -0.343 7.476 1.00 0.00 N ATOM 1583 CA CYS B 40 0.620 -0.467 6.115 1.00 0.00 C ATOM 1584 C CYS B 40 2.072 -0.968 6.119 1.00 0.00 C ATOM 1585 O CYS B 40 2.363 -2.045 5.597 1.00 0.00 O ATOM 1586 CB CYS B 40 0.478 0.878 5.368 1.00 0.00 C ATOM 1587 SG CYS B 40 0.123 0.720 3.608 1.00 0.00 S ATOM 0 H CYS B 40 -0.116 0.610 7.753 1.00 0.00 H new ATOM 0 HA CYS B 40 0.022 -1.206 5.582 1.00 0.00 H new ATOM 0 HB2 CYS B 40 -0.318 1.457 5.836 1.00 0.00 H new ATOM 0 HB3 CYS B 40 1.400 1.447 5.490 1.00 0.00 H new ATOM 0 HG CYS B 40 1.207 0.939 2.925 1.00 0.00 H new ATOM 1593 N ARG B 41 2.978 -0.198 6.718 1.00 0.00 N ATOM 1594 CA ARG B 41 4.370 -0.610 6.849 1.00 0.00 C ATOM 1595 C ARG B 41 4.536 -1.894 7.677 1.00 0.00 C ATOM 1596 O ARG B 41 5.398 -2.716 7.376 1.00 0.00 O ATOM 1597 CB ARG B 41 5.216 0.536 7.421 1.00 0.00 C ATOM 1598 CG ARG B 41 4.601 1.267 8.606 1.00 0.00 C ATOM 1599 CD ARG B 41 5.041 0.691 9.941 1.00 0.00 C ATOM 1600 NE ARG B 41 4.535 1.502 11.051 1.00 0.00 N ATOM 1601 CZ ARG B 41 5.004 1.460 12.300 1.00 0.00 C ATOM 1602 NH1 ARG B 41 6.008 0.655 12.622 1.00 0.00 N ATOM 1603 NH2 ARG B 41 4.470 2.246 13.228 1.00 0.00 N ATOM 0 H ARG B 41 2.770 0.716 7.120 1.00 0.00 H new ATOM 0 HA ARG B 41 4.731 -0.846 5.848 1.00 0.00 H new ATOM 0 HB2 ARG B 41 6.184 0.136 7.724 1.00 0.00 H new ATOM 0 HB3 ARG B 41 5.404 1.259 6.627 1.00 0.00 H new ATOM 0 HG2 ARG B 41 4.876 2.321 8.561 1.00 0.00 H new ATOM 0 HG3 ARG B 41 3.514 1.218 8.534 1.00 0.00 H new ATOM 0 HD2 ARG B 41 4.678 -0.332 10.038 1.00 0.00 H new ATOM 0 HD3 ARG B 41 6.129 0.649 9.983 1.00 0.00 H new ATOM 0 HE ARG B 41 3.768 2.146 10.855 1.00 0.00 H new ATOM 0 HH11 ARG B 41 6.431 0.058 11.911 1.00 0.00 H new ATOM 0 HH12 ARG B 41 6.357 0.633 13.580 1.00 0.00 H new ATOM 0 HH21 ARG B 41 3.706 2.877 12.984 1.00 0.00 H new ATOM 0 HH22 ARG B 41 4.824 2.219 14.184 1.00 0.00 H new ATOM 1617 N LEU B 42 3.708 -2.097 8.693 1.00 0.00 N ATOM 1618 CA LEU B 42 3.808 -3.318 9.493 1.00 0.00 C ATOM 1619 C LEU B 42 3.433 -4.532 8.653 1.00 0.00 C ATOM 1620 O LEU B 42 3.966 -5.630 8.842 1.00 0.00 O ATOM 1621 CB LEU B 42 2.927 -3.240 10.742 1.00 0.00 C ATOM 1622 CG LEU B 42 3.416 -2.265 11.817 1.00 0.00 C ATOM 1623 CD1 LEU B 42 2.457 -2.247 12.994 1.00 0.00 C ATOM 1624 CD2 LEU B 42 4.817 -2.637 12.279 1.00 0.00 C ATOM 0 H LEU B 42 2.974 -1.450 8.981 1.00 0.00 H new ATOM 0 HA LEU B 42 4.842 -3.421 9.821 1.00 0.00 H new ATOM 0 HB2 LEU B 42 1.920 -2.951 10.441 1.00 0.00 H new ATOM 0 HB3 LEU B 42 2.855 -4.235 11.181 1.00 0.00 H new ATOM 0 HG LEU B 42 3.451 -1.265 11.384 1.00 0.00 H new ATOM 0 HD11 LEU B 42 2.820 -1.549 13.748 1.00 0.00 H new ATOM 0 HD12 LEU B 42 1.470 -1.933 12.654 1.00 0.00 H new ATOM 0 HD13 LEU B 42 2.392 -3.246 13.425 1.00 0.00 H new ATOM 0 HD21 LEU B 42 5.147 -1.933 13.043 1.00 0.00 H new ATOM 0 HD22 LEU B 42 4.808 -3.645 12.694 1.00 0.00 H new ATOM 0 HD23 LEU B 42 5.501 -2.600 11.431 1.00 0.00 H new ATOM 1636 N ALA B 43 2.541 -4.319 7.701 1.00 0.00 N ATOM 1637 CA ALA B 43 2.167 -5.359 6.766 1.00 0.00 C ATOM 1638 C ALA B 43 3.305 -5.617 5.785 1.00 0.00 C ATOM 1639 O ALA B 43 3.441 -6.720 5.264 1.00 0.00 O ATOM 1640 CB ALA B 43 0.899 -4.975 6.028 1.00 0.00 C ATOM 0 H ALA B 43 2.062 -3.430 7.557 1.00 0.00 H new ATOM 0 HA ALA B 43 1.974 -6.277 7.320 1.00 0.00 H new ATOM 0 HB1 ALA B 43 0.631 -5.767 5.329 1.00 0.00 H new ATOM 0 HB2 ALA B 43 0.090 -4.834 6.744 1.00 0.00 H new ATOM 0 HB3 ALA B 43 1.064 -4.047 5.480 1.00 0.00 H new ATOM 1646 N ILE B 44 4.129 -4.593 5.539 1.00 0.00 N ATOM 1647 CA ILE B 44 5.311 -4.751 4.701 1.00 0.00 C ATOM 1648 C ILE B 44 6.322 -5.639 5.402 1.00 0.00 C ATOM 1649 O ILE B 44 6.954 -6.485 4.778 1.00 0.00 O ATOM 1650 CB ILE B 44 5.985 -3.401 4.339 1.00 0.00 C ATOM 1651 CG1 ILE B 44 5.091 -2.585 3.403 1.00 0.00 C ATOM 1652 CG2 ILE B 44 7.351 -3.633 3.698 1.00 0.00 C ATOM 1653 CD1 ILE B 44 5.769 -1.351 2.837 1.00 0.00 C ATOM 0 H ILE B 44 3.996 -3.652 5.909 1.00 0.00 H new ATOM 0 HA ILE B 44 4.975 -5.207 3.769 1.00 0.00 H new ATOM 0 HB ILE B 44 6.128 -2.837 5.261 1.00 0.00 H new ATOM 0 HG12 ILE B 44 4.766 -3.221 2.579 1.00 0.00 H new ATOM 0 HG13 ILE B 44 4.195 -2.281 3.944 1.00 0.00 H new ATOM 0 HG21 ILE B 44 7.805 -2.673 3.452 1.00 0.00 H new ATOM 0 HG22 ILE B 44 7.993 -4.171 4.395 1.00 0.00 H new ATOM 0 HG23 ILE B 44 7.231 -4.221 2.788 1.00 0.00 H new ATOM 0 HD11 ILE B 44 5.075 -0.823 2.183 1.00 0.00 H new ATOM 0 HD12 ILE B 44 6.070 -0.694 3.653 1.00 0.00 H new ATOM 0 HD13 ILE B 44 6.650 -1.649 2.268 1.00 0.00 H new ATOM 1665 N LYS B 45 6.475 -5.447 6.706 1.00 0.00 N ATOM 1666 CA LYS B 45 7.380 -6.279 7.481 1.00 0.00 C ATOM 1667 C LYS B 45 6.944 -7.744 7.409 1.00 0.00 C ATOM 1668 O LYS B 45 7.774 -8.654 7.421 1.00 0.00 O ATOM 1669 CB LYS B 45 7.457 -5.806 8.937 1.00 0.00 C ATOM 1670 CG LYS B 45 8.585 -6.464 9.717 1.00 0.00 C ATOM 1671 CD LYS B 45 8.741 -5.876 11.112 1.00 0.00 C ATOM 1672 CE LYS B 45 7.533 -6.170 11.989 1.00 0.00 C ATOM 1673 NZ LYS B 45 7.789 -5.833 13.413 1.00 0.00 N ATOM 0 H LYS B 45 5.988 -4.729 7.243 1.00 0.00 H new ATOM 0 HA LYS B 45 8.378 -6.190 7.051 1.00 0.00 H new ATOM 0 HB2 LYS B 45 7.593 -4.725 8.955 1.00 0.00 H new ATOM 0 HB3 LYS B 45 6.509 -6.017 9.432 1.00 0.00 H new ATOM 0 HG2 LYS B 45 8.394 -7.534 9.795 1.00 0.00 H new ATOM 0 HG3 LYS B 45 9.520 -6.347 9.169 1.00 0.00 H new ATOM 0 HD2 LYS B 45 9.637 -6.284 11.580 1.00 0.00 H new ATOM 0 HD3 LYS B 45 8.882 -4.798 11.038 1.00 0.00 H new ATOM 0 HE2 LYS B 45 6.676 -5.601 11.629 1.00 0.00 H new ATOM 0 HE3 LYS B 45 7.272 -7.225 11.907 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 6.943 -6.047 13.978 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 8.591 -6.395 13.764 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 8.013 -4.821 13.495 1.00 0.00 H new ATOM 1687 N GLU B 46 5.635 -7.959 7.331 1.00 0.00 N ATOM 1688 CA GLU B 46 5.084 -9.296 7.144 1.00 0.00 C ATOM 1689 C GLU B 46 5.343 -9.756 5.713 1.00 0.00 C ATOM 1690 O GLU B 46 5.701 -10.906 5.463 1.00 0.00 O ATOM 1691 CB GLU B 46 3.578 -9.280 7.427 1.00 0.00 C ATOM 1692 CG GLU B 46 2.914 -10.648 7.381 1.00 0.00 C ATOM 1693 CD GLU B 46 3.368 -11.556 8.504 1.00 0.00 C ATOM 1694 OE1 GLU B 46 2.935 -11.340 9.658 1.00 0.00 O ATOM 1695 OE2 GLU B 46 4.153 -12.488 8.243 1.00 0.00 O ATOM 0 H GLU B 46 4.934 -7.221 7.395 1.00 0.00 H new ATOM 0 HA GLU B 46 5.565 -9.988 7.835 1.00 0.00 H new ATOM 0 HB2 GLU B 46 3.410 -8.841 8.411 1.00 0.00 H new ATOM 0 HB3 GLU B 46 3.091 -8.629 6.701 1.00 0.00 H new ATOM 0 HG2 GLU B 46 1.832 -10.524 7.434 1.00 0.00 H new ATOM 0 HG3 GLU B 46 3.134 -11.122 6.424 1.00 0.00 H new ATOM 1702 N TYR B 47 5.189 -8.818 4.789 1.00 0.00 N ATOM 1703 CA TYR B 47 5.339 -9.076 3.365 1.00 0.00 C ATOM 1704 C TYR B 47 6.765 -9.530 3.045 1.00 0.00 C ATOM 1705 O TYR B 47 6.978 -10.498 2.309 1.00 0.00 O ATOM 1706 CB TYR B 47 5.001 -7.797 2.587 1.00 0.00 C ATOM 1707 CG TYR B 47 4.908 -7.975 1.088 1.00 0.00 C ATOM 1708 CD1 TYR B 47 3.767 -8.507 0.504 1.00 0.00 C ATOM 1709 CD2 TYR B 47 5.953 -7.592 0.256 1.00 0.00 C ATOM 1710 CE1 TYR B 47 3.670 -8.656 -0.865 1.00 0.00 C ATOM 1711 CE2 TYR B 47 5.864 -7.739 -1.116 1.00 0.00 C ATOM 1712 CZ TYR B 47 4.720 -8.272 -1.671 1.00 0.00 C ATOM 1713 OH TYR B 47 4.624 -8.414 -3.036 1.00 0.00 O ATOM 0 H TYR B 47 4.955 -7.850 5.009 1.00 0.00 H new ATOM 0 HA TYR B 47 4.658 -9.875 3.071 1.00 0.00 H new ATOM 0 HB2 TYR B 47 4.051 -7.406 2.952 1.00 0.00 H new ATOM 0 HB3 TYR B 47 5.760 -7.045 2.804 1.00 0.00 H new ATOM 0 HD1 TYR B 47 2.941 -8.809 1.131 1.00 0.00 H new ATOM 0 HD2 TYR B 47 6.850 -7.173 0.688 1.00 0.00 H new ATOM 0 HE1 TYR B 47 2.775 -9.072 -1.303 1.00 0.00 H new ATOM 0 HE2 TYR B 47 6.686 -7.438 -1.749 1.00 0.00 H new ATOM 0 HH TYR B 47 5.450 -8.095 -3.457 1.00 0.00 H new ATOM 1723 N LEU B 48 7.737 -8.830 3.614 1.00 0.00 N ATOM 1724 CA LEU B 48 9.143 -9.146 3.414 1.00 0.00 C ATOM 1725 C LEU B 48 9.484 -10.488 4.039 1.00 0.00 C ATOM 1726 O LEU B 48 10.082 -11.352 3.396 1.00 0.00 O ATOM 1727 CB LEU B 48 10.028 -8.056 4.024 1.00 0.00 C ATOM 1728 CG LEU B 48 9.819 -6.649 3.461 1.00 0.00 C ATOM 1729 CD1 LEU B 48 10.718 -5.653 4.172 1.00 0.00 C ATOM 1730 CD2 LEU B 48 10.085 -6.626 1.965 1.00 0.00 C ATOM 0 H LEU B 48 7.573 -8.030 4.225 1.00 0.00 H new ATOM 0 HA LEU B 48 9.329 -9.198 2.341 1.00 0.00 H new ATOM 0 HB2 LEU B 48 9.852 -8.028 5.099 1.00 0.00 H new ATOM 0 HB3 LEU B 48 11.071 -8.336 3.879 1.00 0.00 H new ATOM 0 HG LEU B 48 8.781 -6.363 3.631 1.00 0.00 H new ATOM 0 HD11 LEU B 48 10.556 -4.657 3.759 1.00 0.00 H new ATOM 0 HD12 LEU B 48 10.484 -5.647 5.236 1.00 0.00 H new ATOM 0 HD13 LEU B 48 11.760 -5.939 4.032 1.00 0.00 H new ATOM 0 HD21 LEU B 48 9.931 -5.617 1.584 1.00 0.00 H new ATOM 0 HD22 LEU B 48 11.113 -6.933 1.773 1.00 0.00 H new ATOM 0 HD23 LEU B 48 9.402 -7.312 1.463 1.00 0.00 H new ATOM 1742 N ASP B 49 9.078 -10.657 5.287 1.00 0.00 N ATOM 1743 CA ASP B 49 9.378 -11.861 6.056 1.00 0.00 C ATOM 1744 C ASP B 49 8.807 -13.109 5.387 1.00 0.00 C ATOM 1745 O ASP B 49 9.387 -14.192 5.462 1.00 0.00 O ATOM 1746 CB ASP B 49 8.800 -11.715 7.462 1.00 0.00 C ATOM 1747 CG ASP B 49 9.249 -12.810 8.406 1.00 0.00 C ATOM 1748 OD1 ASP B 49 8.566 -13.851 8.490 1.00 0.00 O ATOM 1749 OD2 ASP B 49 10.274 -12.618 9.093 1.00 0.00 O ATOM 0 H ASP B 49 8.531 -9.965 5.799 1.00 0.00 H new ATOM 0 HA ASP B 49 10.461 -11.977 6.106 1.00 0.00 H new ATOM 0 HB2 ASP B 49 9.094 -10.748 7.871 1.00 0.00 H new ATOM 0 HB3 ASP B 49 7.712 -11.718 7.403 1.00 0.00 H new ATOM 1754 N ASN B 50 7.686 -12.937 4.705 1.00 0.00 N ATOM 1755 CA ASN B 50 6.970 -14.050 4.100 1.00 0.00 C ATOM 1756 C ASN B 50 7.641 -14.521 2.807 1.00 0.00 C ATOM 1757 O ASN B 50 7.549 -15.693 2.442 1.00 0.00 O ATOM 1758 CB ASN B 50 5.525 -13.630 3.817 1.00 0.00 C ATOM 1759 CG ASN B 50 4.667 -14.767 3.308 1.00 0.00 C ATOM 1760 OD1 ASN B 50 4.588 -15.011 2.104 1.00 0.00 O ATOM 1761 ND2 ASN B 50 4.008 -15.464 4.221 1.00 0.00 N ATOM 0 H ASN B 50 7.248 -12.028 4.555 1.00 0.00 H new ATOM 0 HA ASN B 50 6.985 -14.885 4.800 1.00 0.00 H new ATOM 0 HB2 ASN B 50 5.084 -13.230 4.730 1.00 0.00 H new ATOM 0 HB3 ASN B 50 5.524 -12.825 3.083 1.00 0.00 H new ATOM 0 HD21 ASN B 50 3.406 -16.237 3.936 1.00 0.00 H new ATOM 0 HD22 ASN B 50 4.102 -15.228 5.209 1.00 0.00 H new ATOM 1768 N HIS B 51 8.340 -13.618 2.125 1.00 0.00 N ATOM 1769 CA HIS B 51 8.922 -13.947 0.823 1.00 0.00 C ATOM 1770 C HIS B 51 10.338 -14.506 0.980 1.00 0.00 C ATOM 1771 O HIS B 51 10.853 -15.170 0.081 1.00 0.00 O ATOM 1772 CB HIS B 51 8.929 -12.709 -0.104 1.00 0.00 C ATOM 1773 CG HIS B 51 10.247 -11.982 -0.193 1.00 0.00 C ATOM 1774 ND1 HIS B 51 10.759 -11.207 0.826 1.00 0.00 N ATOM 1775 CD2 HIS B 51 11.166 -11.937 -1.190 1.00 0.00 C ATOM 1776 CE1 HIS B 51 11.928 -10.714 0.459 1.00 0.00 C ATOM 1777 NE2 HIS B 51 12.199 -11.144 -0.757 1.00 0.00 N ATOM 0 H HIS B 51 8.517 -12.666 2.444 1.00 0.00 H new ATOM 0 HA HIS B 51 8.301 -14.717 0.365 1.00 0.00 H new ATOM 0 HB2 HIS B 51 8.637 -13.023 -1.106 1.00 0.00 H new ATOM 0 HB3 HIS B 51 8.169 -12.010 0.244 1.00 0.00 H new ATOM 0 HD1 HIS B 51 10.305 -11.040 1.724 1.00 0.00 H new ATOM 0 HD2 HIS B 51 11.097 -12.433 -2.147 1.00 0.00 H new ATOM 0 HE1 HIS B 51 12.556 -10.068 1.055 1.00 0.00 H new