USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 740 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 60 ASN :FLIP amide:sc= -0.561! C(o=-2.1!,f=-0.99!) USER MOD Set 1.2: A 102 TYR OH : rot 43:sc= -0.434 USER MOD Set 2.1: A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 103 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 78 MET CE :methyl -159:sc= -1.46 (180deg=-0.434) USER MOD Set 3.2: A 93 TYR OH : rot 169:sc= 0.383 USER MOD Set 4.1: A 59 THR OG1 : rot -56:sc= 0.872 USER MOD Set 4.2: A 64 GLN :FLIP amide:sc= -3.79! C(o=-4.2!,f=-2.9!) USER MOD Set 5.1: A 46 SER OG : rot -150:sc= 0.0923 USER MOD Set 5.2: A 54 SER OG : rot 78:sc= 0.0666 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS :FLIP no HD1:sc= -1.81 F(o=-3.9!,f=-1.8) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.121 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.189 K(o=-0.19,f=-2.7!) USER MOD Single : A 33 MET CE :methyl 167:sc= -4.05! (180deg=-5.57!) USER MOD Single : A 34 THR OG1 : rot -72:sc= 0.256 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 39 CYS SG : rot 180:sc= -0.061 USER MOD Single : A 40 SER OG : rot -80:sc= -2.18 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0.336 USER MOD Single : A 62 ASN : amide:sc= -0.239 K(o=-0.24,f=-3.3) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -28:sc= 0.307 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.0644 X(o=-0.064,f=-0.054) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 77 MET CE :methyl 167:sc= -0.244 (180deg=-0.842) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.0506 USER MOD Single : A 84 ASN :FLIP amide:sc= -0.0152 F(o=-1.2!,f=-0.015) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= 0.054 K(o=0.054,f=-1.6) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl -150:sc= -0.292 (180deg=-1.17) USER MOD ----------------------------------------------------------------- ATOM 185 N LYS A 16 -0.899 -3.133 -13.164 1.00 0.00 N ATOM 186 CA LYS A 16 -1.611 -1.898 -12.855 1.00 0.00 C ATOM 187 C LYS A 16 -0.633 -0.776 -12.521 1.00 0.00 C ATOM 188 O LYS A 16 0.370 -0.996 -11.842 1.00 0.00 O ATOM 189 CB LYS A 16 -2.570 -2.118 -11.682 1.00 0.00 C ATOM 190 CG LYS A 16 -3.604 -3.201 -11.938 1.00 0.00 C ATOM 191 CD LYS A 16 -4.730 -2.698 -12.826 1.00 0.00 C ATOM 192 CE LYS A 16 -5.960 -3.587 -12.724 1.00 0.00 C ATOM 193 NZ LYS A 16 -7.058 -3.119 -13.614 1.00 0.00 N ATOM 0 HA LYS A 16 -2.184 -1.608 -13.736 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.993 -2.381 -10.796 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.083 -1.182 -11.462 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.124 -4.059 -12.408 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.014 -3.545 -10.989 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.992 -1.679 -12.541 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.390 -2.662 -13.861 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.691 -4.610 -12.986 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.311 -3.604 -11.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.878 -3.751 -13.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.332 -2.152 -13.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.732 -3.127 -14.601 1.00 0.00 H new ATOM 207 N ILE A 17 -0.933 0.426 -13.002 1.00 0.00 N ATOM 208 CA ILE A 17 -0.082 1.582 -12.752 1.00 0.00 C ATOM 209 C ILE A 17 -0.077 1.953 -11.273 1.00 0.00 C ATOM 210 O ILE A 17 0.965 2.287 -10.710 1.00 0.00 O ATOM 211 CB ILE A 17 -0.535 2.803 -13.574 1.00 0.00 C ATOM 212 CG1 ILE A 17 0.491 3.933 -13.458 1.00 0.00 C ATOM 213 CG2 ILE A 17 -1.905 3.275 -13.110 1.00 0.00 C ATOM 214 CD1 ILE A 17 0.238 5.079 -14.412 1.00 0.00 C ATOM 0 H ILE A 17 -1.759 0.624 -13.567 1.00 0.00 H new ATOM 0 HA ILE A 17 0.926 1.302 -13.057 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.608 2.510 -14.621 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.486 4.313 -12.437 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.486 3.529 -13.643 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.212 4.139 -13.700 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.630 2.471 -13.239 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.856 3.554 -12.057 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.003 5.843 -14.274 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.272 4.713 -15.438 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.744 5.509 -14.212 1.00 0.00 H new ATOM 226 N TRP A 18 -1.248 1.888 -10.649 1.00 0.00 N ATOM 227 CA TRP A 18 -1.379 2.215 -9.234 1.00 0.00 C ATOM 228 C TRP A 18 -0.711 1.154 -8.366 1.00 0.00 C ATOM 229 O TRP A 18 -0.480 1.367 -7.176 1.00 0.00 O ATOM 230 CB TRP A 18 -2.855 2.347 -8.854 1.00 0.00 C ATOM 231 CG TRP A 18 -3.702 1.220 -9.364 1.00 0.00 C ATOM 232 CD1 TRP A 18 -4.537 1.247 -10.445 1.00 0.00 C ATOM 233 CD2 TRP A 18 -3.798 -0.098 -8.813 1.00 0.00 C ATOM 234 NE1 TRP A 18 -5.146 0.025 -10.598 1.00 0.00 N ATOM 235 CE2 TRP A 18 -4.709 -0.818 -9.610 1.00 0.00 C ATOM 236 CE3 TRP A 18 -3.201 -0.740 -7.724 1.00 0.00 C ATOM 237 CZ2 TRP A 18 -5.036 -2.146 -9.351 1.00 0.00 C ATOM 238 CZ3 TRP A 18 -3.528 -2.058 -7.469 1.00 0.00 C ATOM 239 CH2 TRP A 18 -4.437 -2.750 -8.279 1.00 0.00 C ATOM 0 H TRP A 18 -2.120 1.612 -11.101 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.880 3.168 -9.059 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.941 2.394 -7.768 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.241 3.288 -9.245 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.695 2.103 -11.085 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.815 -0.216 -11.329 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.498 -0.216 -7.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.738 -2.681 -9.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.074 -2.564 -6.630 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.670 -3.780 -8.053 1.00 0.00 H new ATOM 250 N PHE A 19 -0.401 0.011 -8.969 1.00 0.00 N ATOM 251 CA PHE A 19 0.240 -1.083 -8.250 1.00 0.00 C ATOM 252 C PHE A 19 1.759 -0.986 -8.355 1.00 0.00 C ATOM 253 O PHE A 19 2.291 -0.354 -9.268 1.00 0.00 O ATOM 254 CB PHE A 19 -0.235 -2.430 -8.799 1.00 0.00 C ATOM 255 CG PHE A 19 0.424 -3.610 -8.144 1.00 0.00 C ATOM 256 CD1 PHE A 19 0.161 -3.920 -6.820 1.00 0.00 C ATOM 257 CD2 PHE A 19 1.305 -4.411 -8.854 1.00 0.00 C ATOM 258 CE1 PHE A 19 0.766 -5.005 -6.214 1.00 0.00 C ATOM 259 CE2 PHE A 19 1.913 -5.497 -8.254 1.00 0.00 C ATOM 260 CZ PHE A 19 1.642 -5.796 -6.933 1.00 0.00 C ATOM 0 H PHE A 19 -0.583 -0.181 -9.954 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.040 -1.007 -7.199 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.314 -2.507 -8.667 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.042 -2.465 -9.871 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.525 -3.307 -6.254 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.519 -4.184 -9.888 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.554 -5.234 -5.180 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.600 -6.112 -8.817 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.114 -6.646 -6.463 1.00 0.00 H new ATOM 270 N HIS A 20 2.453 -1.616 -7.412 1.00 0.00 N ATOM 271 CA HIS A 20 3.911 -1.601 -7.397 1.00 0.00 C ATOM 272 C HIS A 20 4.461 -2.874 -6.760 1.00 0.00 C ATOM 273 O HIS A 20 4.116 -3.213 -5.629 1.00 0.00 O ATOM 274 CB HIS A 20 4.422 -0.375 -6.638 1.00 0.00 C ATOM 275 CG HIS A 20 4.389 0.886 -7.446 1.00 0.00 C ATOM 276 ND1 HIS A 20 3.346 1.603 -7.925 1.00 0.00 N flip ATOM 277 CD2 HIS A 20 5.528 1.550 -7.850 1.00 0.00 C flip ATOM 278 CE1 HIS A 20 3.868 2.677 -8.603 1.00 0.00 C flip ATOM 279 NE2 HIS A 20 5.186 2.622 -8.543 1.00 0.00 N flip ATOM 0 H HIS A 20 2.029 -2.143 -6.649 1.00 0.00 H new ATOM 0 HA HIS A 20 4.260 -1.552 -8.429 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.820 -0.237 -5.740 1.00 0.00 H new ATOM 0 HB3 HIS A 20 5.445 -0.561 -6.311 1.00 0.00 H new ATOM 0 HD2 HIS A 20 6.540 1.242 -7.634 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.294 3.442 -9.104 1.00 0.00 H new ATOM 0 HE2 HIS A 20 5.831 3.293 -8.961 1.00 0.00 H new ATOM 287 N GLY A 21 5.319 -3.575 -7.496 1.00 0.00 N ATOM 288 CA GLY A 21 5.902 -4.802 -6.987 1.00 0.00 C ATOM 289 C GLY A 21 7.379 -4.918 -7.305 1.00 0.00 C ATOM 290 O GLY A 21 8.144 -5.499 -6.535 1.00 0.00 O ATOM 0 H GLY A 21 5.620 -3.315 -8.435 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.762 -4.846 -5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.374 -5.655 -7.413 1.00 0.00 H new ATOM 294 N LYS A 22 7.783 -4.365 -8.443 1.00 0.00 N ATOM 295 CA LYS A 22 9.179 -4.408 -8.863 1.00 0.00 C ATOM 296 C LYS A 22 10.064 -3.638 -7.888 1.00 0.00 C ATOM 297 O LYS A 22 11.145 -4.098 -7.521 1.00 0.00 O ATOM 298 CB LYS A 22 9.328 -3.828 -10.271 1.00 0.00 C ATOM 299 CG LYS A 22 8.906 -4.787 -11.371 1.00 0.00 C ATOM 300 CD LYS A 22 9.057 -4.159 -12.746 1.00 0.00 C ATOM 301 CE LYS A 22 9.336 -5.208 -13.811 1.00 0.00 C ATOM 302 NZ LYS A 22 8.093 -5.909 -14.239 1.00 0.00 N ATOM 0 H LYS A 22 7.163 -3.881 -9.092 1.00 0.00 H new ATOM 0 HA LYS A 22 9.498 -5.450 -8.871 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.732 -2.918 -10.345 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.368 -3.542 -10.429 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.509 -5.693 -11.316 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.869 -5.084 -11.218 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.148 -3.614 -13.000 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.869 -3.432 -12.728 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.801 -4.733 -14.675 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.049 -5.936 -13.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.326 -6.616 -14.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.662 -6.383 -13.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.422 -5.218 -14.631 1.00 0.00 H new ATOM 316 N ILE A 23 9.598 -2.465 -7.473 1.00 0.00 N ATOM 317 CA ILE A 23 10.347 -1.633 -6.539 1.00 0.00 C ATOM 318 C ILE A 23 10.412 -2.278 -5.159 1.00 0.00 C ATOM 319 O ILE A 23 9.953 -3.404 -4.966 1.00 0.00 O ATOM 320 CB ILE A 23 9.723 -0.231 -6.409 1.00 0.00 C ATOM 321 CG1 ILE A 23 8.357 -0.318 -5.725 1.00 0.00 C ATOM 322 CG2 ILE A 23 9.595 0.421 -7.778 1.00 0.00 C ATOM 323 CD1 ILE A 23 7.928 0.975 -5.067 1.00 0.00 C ATOM 0 H ILE A 23 8.706 -2.069 -7.769 1.00 0.00 H new ATOM 0 HA ILE A 23 11.356 -1.537 -6.941 1.00 0.00 H new ATOM 0 HB ILE A 23 10.378 0.386 -5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.608 -0.607 -6.462 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.385 -1.107 -4.973 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.152 1.411 -7.669 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.582 0.512 -8.231 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.959 -0.193 -8.415 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.951 0.840 -4.602 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.656 1.255 -4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.867 1.763 -5.818 1.00 0.00 H new ATOM 335 N SER A 24 10.985 -1.556 -4.201 1.00 0.00 N ATOM 336 CA SER A 24 11.112 -2.058 -2.838 1.00 0.00 C ATOM 337 C SER A 24 10.347 -1.173 -1.859 1.00 0.00 C ATOM 338 O SER A 24 9.655 -0.237 -2.260 1.00 0.00 O ATOM 339 CB SER A 24 12.586 -2.129 -2.434 1.00 0.00 C ATOM 340 OG SER A 24 12.743 -2.796 -1.194 1.00 0.00 O ATOM 0 H SER A 24 11.369 -0.622 -4.344 1.00 0.00 H new ATOM 0 HA SER A 24 10.684 -3.060 -2.805 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.153 -2.650 -3.205 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.996 -1.121 -2.363 1.00 0.00 H new ATOM 0 HG SER A 24 13.694 -2.830 -0.959 1.00 0.00 H new ATOM 346 N LYS A 25 10.477 -1.476 -0.572 1.00 0.00 N ATOM 347 CA LYS A 25 9.800 -0.709 0.467 1.00 0.00 C ATOM 348 C LYS A 25 10.404 0.686 0.594 1.00 0.00 C ATOM 349 O LYS A 25 9.688 1.687 0.556 1.00 0.00 O ATOM 350 CB LYS A 25 9.890 -1.439 1.809 1.00 0.00 C ATOM 351 CG LYS A 25 9.287 -0.661 2.966 1.00 0.00 C ATOM 352 CD LYS A 25 9.055 -1.551 4.176 1.00 0.00 C ATOM 353 CE LYS A 25 8.423 -0.779 5.323 1.00 0.00 C ATOM 354 NZ LYS A 25 9.420 0.066 6.039 1.00 0.00 N ATOM 0 H LYS A 25 11.045 -2.248 -0.223 1.00 0.00 H new ATOM 0 HA LYS A 25 8.752 -0.608 0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.383 -2.400 1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.937 -1.649 2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.950 0.160 3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.342 -0.217 2.654 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.410 -2.384 3.898 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.003 -1.978 4.502 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.622 -0.148 4.938 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.969 -1.478 6.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.950 0.576 6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.172 -0.538 6.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.835 0.751 5.375 1.00 0.00 H new ATOM 368 N GLN A 26 11.723 0.744 0.743 1.00 0.00 N ATOM 369 CA GLN A 26 12.421 2.017 0.875 1.00 0.00 C ATOM 370 C GLN A 26 12.222 2.878 -0.368 1.00 0.00 C ATOM 371 O GLN A 26 12.064 4.095 -0.272 1.00 0.00 O ATOM 372 CB GLN A 26 13.914 1.782 1.113 1.00 0.00 C ATOM 373 CG GLN A 26 14.583 0.966 0.019 1.00 0.00 C ATOM 374 CD GLN A 26 15.929 0.413 0.444 1.00 0.00 C ATOM 375 OE1 GLN A 26 16.009 -0.464 1.304 1.00 0.00 O ATOM 376 NE2 GLN A 26 16.996 0.924 -0.159 1.00 0.00 N ATOM 0 H GLN A 26 12.330 -0.075 0.775 1.00 0.00 H new ATOM 0 HA GLN A 26 12.002 2.545 1.732 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.417 2.746 1.195 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.046 1.272 2.067 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.929 0.142 -0.265 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.713 1.589 -0.866 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.883 1.650 -0.867 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.928 0.591 0.085 1.00 0.00 H new ATOM 385 N GLU A 27 12.230 2.238 -1.533 1.00 0.00 N ATOM 386 CA GLU A 27 12.051 2.947 -2.795 1.00 0.00 C ATOM 387 C GLU A 27 10.688 3.631 -2.846 1.00 0.00 C ATOM 388 O GLU A 27 10.584 4.808 -3.192 1.00 0.00 O ATOM 389 CB GLU A 27 12.194 1.982 -3.973 1.00 0.00 C ATOM 390 CG GLU A 27 13.622 1.837 -4.472 1.00 0.00 C ATOM 391 CD GLU A 27 14.630 1.766 -3.341 1.00 0.00 C ATOM 392 OE1 GLU A 27 15.030 2.834 -2.835 1.00 0.00 O ATOM 393 OE2 GLU A 27 15.019 0.640 -2.964 1.00 0.00 O ATOM 0 H GLU A 27 12.358 1.231 -1.629 1.00 0.00 H new ATOM 0 HA GLU A 27 12.825 3.711 -2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.821 1.002 -3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.565 2.328 -4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.701 0.936 -5.081 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.865 2.681 -5.118 1.00 0.00 H new ATOM 400 N ALA A 28 9.645 2.885 -2.499 1.00 0.00 N ATOM 401 CA ALA A 28 8.288 3.418 -2.503 1.00 0.00 C ATOM 402 C ALA A 28 8.235 4.789 -1.836 1.00 0.00 C ATOM 403 O ALA A 28 7.521 5.683 -2.290 1.00 0.00 O ATOM 404 CB ALA A 28 7.339 2.454 -1.808 1.00 0.00 C ATOM 0 H ALA A 28 9.714 1.909 -2.211 1.00 0.00 H new ATOM 0 HA ALA A 28 7.973 3.535 -3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.330 2.866 -1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.346 1.497 -2.330 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.660 2.308 -0.777 1.00 0.00 H new ATOM 410 N TYR A 29 8.994 4.946 -0.758 1.00 0.00 N ATOM 411 CA TYR A 29 9.031 6.207 -0.026 1.00 0.00 C ATOM 412 C TYR A 29 9.492 7.347 -0.929 1.00 0.00 C ATOM 413 O TYR A 29 8.910 8.431 -0.926 1.00 0.00 O ATOM 414 CB TYR A 29 9.959 6.092 1.184 1.00 0.00 C ATOM 415 CG TYR A 29 9.262 5.617 2.439 1.00 0.00 C ATOM 416 CD1 TYR A 29 8.440 6.469 3.165 1.00 0.00 C ATOM 417 CD2 TYR A 29 9.426 4.316 2.898 1.00 0.00 C ATOM 418 CE1 TYR A 29 7.801 6.040 4.313 1.00 0.00 C ATOM 419 CE2 TYR A 29 8.790 3.877 4.044 1.00 0.00 C ATOM 420 CZ TYR A 29 7.979 4.743 4.748 1.00 0.00 C ATOM 421 OH TYR A 29 7.346 4.311 5.890 1.00 0.00 O ATOM 0 H TYR A 29 9.592 4.216 -0.371 1.00 0.00 H new ATOM 0 HA TYR A 29 8.021 6.427 0.320 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.769 5.403 0.946 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.413 7.064 1.377 1.00 0.00 H new ATOM 0 HD1 TYR A 29 8.298 7.485 2.827 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.061 3.636 2.350 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.166 6.716 4.866 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.927 2.862 4.386 1.00 0.00 H new ATOM 0 HH TYR A 29 7.576 3.373 6.057 1.00 0.00 H new ATOM 431 N ASN A 30 10.543 7.093 -1.702 1.00 0.00 N ATOM 432 CA ASN A 30 11.085 8.097 -2.610 1.00 0.00 C ATOM 433 C ASN A 30 10.102 8.396 -3.738 1.00 0.00 C ATOM 434 O ASN A 30 9.855 9.557 -4.070 1.00 0.00 O ATOM 435 CB ASN A 30 12.417 7.622 -3.193 1.00 0.00 C ATOM 436 CG ASN A 30 13.495 7.487 -2.135 1.00 0.00 C ATOM 437 OD1 ASN A 30 13.202 7.364 -0.946 1.00 0.00 O ATOM 438 ND2 ASN A 30 14.752 7.509 -2.564 1.00 0.00 N ATOM 0 H ASN A 30 11.036 6.200 -1.718 1.00 0.00 H new ATOM 0 HA ASN A 30 11.251 9.013 -2.042 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.273 6.660 -3.686 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.748 8.325 -3.957 1.00 0.00 H new ATOM 0 HD21 ASN A 30 15.520 7.422 -1.898 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.949 7.613 -3.559 1.00 0.00 H new ATOM 445 N LEU A 31 9.543 7.343 -4.323 1.00 0.00 N ATOM 446 CA LEU A 31 8.586 7.492 -5.414 1.00 0.00 C ATOM 447 C LEU A 31 7.494 8.492 -5.048 1.00 0.00 C ATOM 448 O LEU A 31 7.379 9.554 -5.662 1.00 0.00 O ATOM 449 CB LEU A 31 7.959 6.139 -5.757 1.00 0.00 C ATOM 450 CG LEU A 31 8.800 5.213 -6.637 1.00 0.00 C ATOM 451 CD1 LEU A 31 8.313 3.777 -6.519 1.00 0.00 C ATOM 452 CD2 LEU A 31 8.762 5.675 -8.086 1.00 0.00 C ATOM 0 H LEU A 31 9.736 6.376 -4.060 1.00 0.00 H new ATOM 0 HA LEU A 31 9.122 7.869 -6.285 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.735 5.618 -4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.008 6.318 -6.258 1.00 0.00 H new ATOM 0 HG LEU A 31 9.833 5.253 -6.291 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.923 3.133 -7.152 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.394 3.449 -5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.272 3.718 -6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.366 5.005 -8.698 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.733 5.665 -8.444 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.160 6.687 -8.156 1.00 0.00 H new ATOM 464 N LEU A 32 6.696 8.148 -4.043 1.00 0.00 N ATOM 465 CA LEU A 32 5.615 9.018 -3.593 1.00 0.00 C ATOM 466 C LEU A 32 6.152 10.383 -3.176 1.00 0.00 C ATOM 467 O LEU A 32 5.389 11.333 -2.999 1.00 0.00 O ATOM 468 CB LEU A 32 4.868 8.372 -2.424 1.00 0.00 C ATOM 469 CG LEU A 32 3.912 7.235 -2.786 1.00 0.00 C ATOM 470 CD1 LEU A 32 3.621 6.374 -1.566 1.00 0.00 C ATOM 471 CD2 LEU A 32 2.620 7.789 -3.369 1.00 0.00 C ATOM 0 H LEU A 32 6.777 7.273 -3.525 1.00 0.00 H new ATOM 0 HA LEU A 32 4.925 9.159 -4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.603 7.990 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.301 9.147 -1.908 1.00 0.00 H new ATOM 0 HG LEU A 32 4.390 6.611 -3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.939 5.570 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.552 5.948 -1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.164 6.987 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.952 6.965 -3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.138 8.436 -2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.843 8.363 -4.268 1.00 0.00 H new ATOM 483 N MET A 33 7.469 10.474 -3.022 1.00 0.00 N ATOM 484 CA MET A 33 8.108 11.724 -2.629 1.00 0.00 C ATOM 485 C MET A 33 8.754 12.406 -3.832 1.00 0.00 C ATOM 486 O MET A 33 9.122 13.580 -3.770 1.00 0.00 O ATOM 487 CB MET A 33 9.159 11.467 -1.548 1.00 0.00 C ATOM 488 CG MET A 33 8.605 11.528 -0.134 1.00 0.00 C ATOM 489 SD MET A 33 8.693 13.184 0.575 1.00 0.00 S ATOM 490 CE MET A 33 7.817 14.132 -0.666 1.00 0.00 C ATOM 0 H MET A 33 8.114 9.697 -3.163 1.00 0.00 H new ATOM 0 HA MET A 33 7.340 12.385 -2.228 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.605 10.486 -1.713 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.958 12.201 -1.648 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.567 11.194 -0.140 1.00 0.00 H new ATOM 0 HG3 MET A 33 9.159 10.836 0.500 1.00 0.00 H new ATOM 0 HE1 MET A 33 7.585 15.121 -0.271 1.00 0.00 H new ATOM 0 HE2 MET A 33 8.441 14.233 -1.554 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.892 13.620 -0.929 1.00 0.00 H new ATOM 500 N THR A 34 8.889 11.663 -4.926 1.00 0.00 N ATOM 501 CA THR A 34 9.492 12.195 -6.141 1.00 0.00 C ATOM 502 C THR A 34 8.456 12.345 -7.249 1.00 0.00 C ATOM 503 O THR A 34 8.018 13.453 -7.558 1.00 0.00 O ATOM 504 CB THR A 34 10.636 11.293 -6.642 1.00 0.00 C ATOM 505 OG1 THR A 34 10.233 9.920 -6.597 1.00 0.00 O ATOM 506 CG2 THR A 34 11.887 11.488 -5.800 1.00 0.00 C ATOM 0 H THR A 34 8.589 10.691 -4.995 1.00 0.00 H new ATOM 0 HA THR A 34 9.896 13.176 -5.890 1.00 0.00 H new ATOM 0 HB THR A 34 10.864 11.570 -7.671 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.198 9.620 -5.665 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.681 10.841 -6.173 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.208 12.528 -5.861 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.670 11.235 -4.762 1.00 0.00 H new ATOM 514 N VAL A 35 8.066 11.222 -7.844 1.00 0.00 N ATOM 515 CA VAL A 35 7.078 11.228 -8.917 1.00 0.00 C ATOM 516 C VAL A 35 5.672 11.444 -8.368 1.00 0.00 C ATOM 517 O VAL A 35 4.850 12.117 -8.988 1.00 0.00 O ATOM 518 CB VAL A 35 7.109 9.912 -9.716 1.00 0.00 C ATOM 519 CG1 VAL A 35 8.264 9.915 -10.706 1.00 0.00 C ATOM 520 CG2 VAL A 35 7.207 8.720 -8.775 1.00 0.00 C ATOM 0 H VAL A 35 8.419 10.296 -7.601 1.00 0.00 H new ATOM 0 HA VAL A 35 7.336 12.053 -9.581 1.00 0.00 H new ATOM 0 HB VAL A 35 6.179 9.827 -10.279 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.270 8.977 -11.261 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.146 10.747 -11.400 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.205 10.023 -10.167 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.228 7.798 -9.356 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.120 8.797 -8.184 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.344 8.710 -8.110 1.00 0.00 H new ATOM 530 N GLY A 36 5.403 10.868 -7.200 1.00 0.00 N ATOM 531 CA GLY A 36 4.096 11.010 -6.587 1.00 0.00 C ATOM 532 C GLY A 36 3.850 12.411 -6.063 1.00 0.00 C ATOM 533 O GLY A 36 4.630 13.325 -6.329 1.00 0.00 O ATOM 0 H GLY A 36 6.067 10.306 -6.668 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.327 10.758 -7.317 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.003 10.297 -5.767 1.00 0.00 H new ATOM 537 N GLN A 37 2.761 12.580 -5.319 1.00 0.00 N ATOM 538 CA GLN A 37 2.414 13.880 -4.759 1.00 0.00 C ATOM 539 C GLN A 37 1.455 13.728 -3.583 1.00 0.00 C ATOM 540 O GLN A 37 1.120 12.614 -3.182 1.00 0.00 O ATOM 541 CB GLN A 37 1.785 14.770 -5.833 1.00 0.00 C ATOM 542 CG GLN A 37 2.679 14.988 -7.043 1.00 0.00 C ATOM 543 CD GLN A 37 2.092 15.974 -8.033 1.00 0.00 C ATOM 544 OE1 GLN A 37 0.898 15.933 -8.334 1.00 0.00 O ATOM 545 NE2 GLN A 37 2.928 16.869 -8.546 1.00 0.00 N ATOM 0 H GLN A 37 2.105 11.833 -5.091 1.00 0.00 H new ATOM 0 HA GLN A 37 3.330 14.348 -4.399 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.847 14.322 -6.161 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.540 15.737 -5.394 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.652 15.349 -6.710 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.847 14.034 -7.543 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.910 16.867 -8.269 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.589 17.558 -9.217 1.00 0.00 H new ATOM 554 N VAL A 38 1.017 14.857 -3.033 1.00 0.00 N ATOM 555 CA VAL A 38 0.096 14.849 -1.903 1.00 0.00 C ATOM 556 C VAL A 38 -1.287 14.366 -2.324 1.00 0.00 C ATOM 557 O VAL A 38 -2.204 14.289 -1.506 1.00 0.00 O ATOM 558 CB VAL A 38 -0.030 16.248 -1.272 1.00 0.00 C ATOM 559 CG1 VAL A 38 -0.912 16.199 -0.034 1.00 0.00 C ATOM 560 CG2 VAL A 38 1.344 16.807 -0.936 1.00 0.00 C ATOM 0 H VAL A 38 1.285 15.788 -3.352 1.00 0.00 H new ATOM 0 HA VAL A 38 0.508 14.161 -1.164 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.500 16.913 -1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.989 17.197 0.398 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.906 15.845 -0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.475 15.520 0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.236 17.796 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.844 16.144 -0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.939 16.882 -1.846 1.00 0.00 H new ATOM 570 N CYS A 39 -1.430 14.042 -3.604 1.00 0.00 N ATOM 571 CA CYS A 39 -2.702 13.567 -4.135 1.00 0.00 C ATOM 572 C CYS A 39 -2.502 12.323 -4.995 1.00 0.00 C ATOM 573 O CYS A 39 -3.104 12.188 -6.060 1.00 0.00 O ATOM 574 CB CYS A 39 -3.378 14.666 -4.957 1.00 0.00 C ATOM 575 SG CYS A 39 -3.550 16.240 -4.084 1.00 0.00 S ATOM 0 H CYS A 39 -0.680 14.100 -4.293 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.344 13.306 -3.293 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.803 14.829 -5.868 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.366 14.322 -5.261 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.130 17.106 -4.861 1.00 0.00 H new ATOM 581 N SER A 40 -1.651 11.416 -4.525 1.00 0.00 N ATOM 582 CA SER A 40 -1.367 10.185 -5.253 1.00 0.00 C ATOM 583 C SER A 40 -1.073 9.039 -4.289 1.00 0.00 C ATOM 584 O SER A 40 -0.620 9.259 -3.165 1.00 0.00 O ATOM 585 CB SER A 40 -0.181 10.388 -6.197 1.00 0.00 C ATOM 586 OG SER A 40 0.431 9.152 -6.522 1.00 0.00 O ATOM 0 H SER A 40 -1.147 11.511 -3.644 1.00 0.00 H new ATOM 0 HA SER A 40 -2.249 9.927 -5.839 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.518 10.881 -7.109 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.550 11.048 -5.730 1.00 0.00 H new ATOM 0 HG SER A 40 1.022 8.877 -5.790 1.00 0.00 H new ATOM 592 N PHE A 41 -1.335 7.816 -4.737 1.00 0.00 N ATOM 593 CA PHE A 41 -1.100 6.634 -3.915 1.00 0.00 C ATOM 594 C PHE A 41 -0.694 5.443 -4.778 1.00 0.00 C ATOM 595 O PHE A 41 -0.565 5.561 -5.998 1.00 0.00 O ATOM 596 CB PHE A 41 -2.355 6.290 -3.110 1.00 0.00 C ATOM 597 CG PHE A 41 -3.452 5.684 -3.938 1.00 0.00 C ATOM 598 CD1 PHE A 41 -3.981 6.370 -5.019 1.00 0.00 C ATOM 599 CD2 PHE A 41 -3.953 4.428 -3.635 1.00 0.00 C ATOM 600 CE1 PHE A 41 -4.990 5.815 -5.782 1.00 0.00 C ATOM 601 CE2 PHE A 41 -4.963 3.868 -4.395 1.00 0.00 C ATOM 602 CZ PHE A 41 -5.481 4.562 -5.471 1.00 0.00 C ATOM 0 H PHE A 41 -1.710 7.617 -5.664 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.284 6.857 -3.227 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.087 5.596 -2.313 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.730 7.195 -2.632 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.600 7.350 -5.268 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.550 3.881 -2.796 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.395 6.361 -6.621 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.346 2.889 -4.148 1.00 0.00 H new ATOM 0 HZ PHE A 41 -6.268 4.126 -6.068 1.00 0.00 H new ATOM 612 N LEU A 42 -0.493 4.297 -4.137 1.00 0.00 N ATOM 613 CA LEU A 42 -0.100 3.084 -4.845 1.00 0.00 C ATOM 614 C LEU A 42 -0.209 1.864 -3.935 1.00 0.00 C ATOM 615 O LEU A 42 -0.088 1.974 -2.715 1.00 0.00 O ATOM 616 CB LEU A 42 1.330 3.217 -5.371 1.00 0.00 C ATOM 617 CG LEU A 42 2.435 3.225 -4.315 1.00 0.00 C ATOM 618 CD1 LEU A 42 2.770 1.807 -3.880 1.00 0.00 C ATOM 619 CD2 LEU A 42 3.676 3.928 -4.847 1.00 0.00 C ATOM 0 H LEU A 42 -0.596 4.182 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.778 2.948 -5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.520 2.395 -6.061 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.399 4.139 -5.948 1.00 0.00 H new ATOM 0 HG LEU A 42 2.074 3.774 -3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.559 1.834 -3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.882 1.337 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.110 1.233 -4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.452 3.924 -4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.038 3.407 -5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.428 4.957 -5.107 1.00 0.00 H new ATOM 631 N VAL A 43 -0.435 0.701 -4.538 1.00 0.00 N ATOM 632 CA VAL A 43 -0.556 -0.541 -3.783 1.00 0.00 C ATOM 633 C VAL A 43 0.655 -1.440 -4.007 1.00 0.00 C ATOM 634 O VAL A 43 1.076 -1.660 -5.142 1.00 0.00 O ATOM 635 CB VAL A 43 -1.832 -1.311 -4.170 1.00 0.00 C ATOM 636 CG1 VAL A 43 -1.964 -2.578 -3.339 1.00 0.00 C ATOM 637 CG2 VAL A 43 -3.059 -0.425 -4.006 1.00 0.00 C ATOM 0 H VAL A 43 -0.538 0.593 -5.547 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.612 -0.267 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.758 -1.599 -5.219 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.872 -3.109 -3.627 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.099 -3.218 -3.512 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.016 -2.316 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.952 -0.985 -4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.140 -0.105 -2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.965 0.450 -4.649 1.00 0.00 H new ATOM 647 N ARG A 44 1.210 -1.958 -2.916 1.00 0.00 N ATOM 648 CA ARG A 44 2.373 -2.833 -2.993 1.00 0.00 C ATOM 649 C ARG A 44 2.171 -4.081 -2.139 1.00 0.00 C ATOM 650 O ARG A 44 1.500 -4.056 -1.107 1.00 0.00 O ATOM 651 CB ARG A 44 3.630 -2.088 -2.538 1.00 0.00 C ATOM 652 CG ARG A 44 3.743 -1.951 -1.028 1.00 0.00 C ATOM 653 CD ARG A 44 4.854 -0.988 -0.639 1.00 0.00 C ATOM 654 NE ARG A 44 5.446 -1.329 0.652 1.00 0.00 N ATOM 655 CZ ARG A 44 6.287 -2.341 0.831 1.00 0.00 C ATOM 656 NH1 ARG A 44 6.634 -3.108 -0.193 1.00 0.00 N ATOM 657 NH2 ARG A 44 6.783 -2.587 2.037 1.00 0.00 N ATOM 0 H ARG A 44 0.873 -1.787 -1.969 1.00 0.00 H new ATOM 0 HA ARG A 44 2.497 -3.140 -4.031 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.509 -2.612 -2.914 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.636 -1.094 -2.986 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.795 -1.598 -0.621 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.936 -2.929 -0.586 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.628 -0.998 -1.407 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.457 0.026 -0.599 1.00 0.00 H new ATOM 0 HE ARG A 44 5.200 -0.758 1.461 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.255 -2.922 -1.121 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.280 -3.885 -0.053 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.518 -1.999 2.827 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.429 -3.364 2.174 1.00 0.00 H new ATOM 671 N PRO A 45 2.766 -5.201 -2.577 1.00 0.00 N ATOM 672 CA PRO A 45 2.666 -6.480 -1.867 1.00 0.00 C ATOM 673 C PRO A 45 3.432 -6.473 -0.549 1.00 0.00 C ATOM 674 O PRO A 45 4.609 -6.115 -0.505 1.00 0.00 O ATOM 675 CB PRO A 45 3.294 -7.477 -2.844 1.00 0.00 C ATOM 676 CG PRO A 45 4.221 -6.661 -3.677 1.00 0.00 C ATOM 677 CD PRO A 45 3.582 -5.305 -3.798 1.00 0.00 C ATOM 0 HA PRO A 45 1.637 -6.717 -1.596 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.828 -8.266 -2.315 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.534 -7.962 -3.457 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.204 -6.589 -3.211 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.365 -7.114 -4.658 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.329 -4.513 -3.851 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.971 -5.228 -4.697 1.00 0.00 H new ATOM 685 N SER A 46 2.756 -6.871 0.525 1.00 0.00 N ATOM 686 CA SER A 46 3.372 -6.907 1.846 1.00 0.00 C ATOM 687 C SER A 46 4.575 -7.845 1.859 1.00 0.00 C ATOM 688 O SER A 46 4.482 -8.998 1.439 1.00 0.00 O ATOM 689 CB SER A 46 2.352 -7.352 2.896 1.00 0.00 C ATOM 690 OG SER A 46 1.622 -6.247 3.398 1.00 0.00 O ATOM 0 H SER A 46 1.782 -7.173 0.506 1.00 0.00 H new ATOM 0 HA SER A 46 3.715 -5.901 2.087 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.666 -8.076 2.457 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.865 -7.855 3.715 1.00 0.00 H new ATOM 0 HG SER A 46 1.356 -6.424 4.324 1.00 0.00 H new ATOM 757 N ASP A 52 -0.427 -10.674 1.648 1.00 0.00 N ATOM 758 CA ASP A 52 -0.762 -9.423 2.319 1.00 0.00 C ATOM 759 C ASP A 52 -0.444 -8.227 1.428 1.00 0.00 C ATOM 760 O ASP A 52 0.320 -8.339 0.469 1.00 0.00 O ATOM 761 CB ASP A 52 0.000 -9.309 3.640 1.00 0.00 C ATOM 762 CG ASP A 52 -0.762 -9.914 4.802 1.00 0.00 C ATOM 763 OD1 ASP A 52 -0.945 -11.150 4.812 1.00 0.00 O ATOM 764 OD2 ASP A 52 -1.175 -9.153 5.702 1.00 0.00 O ATOM 0 HA ASP A 52 -1.832 -9.424 2.525 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.965 -9.807 3.544 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.203 -8.259 3.850 1.00 0.00 H new ATOM 769 N TYR A 53 -1.035 -7.082 1.751 1.00 0.00 N ATOM 770 CA TYR A 53 -0.817 -5.865 0.978 1.00 0.00 C ATOM 771 C TYR A 53 -0.905 -4.630 1.870 1.00 0.00 C ATOM 772 O TYR A 53 -1.428 -4.690 2.982 1.00 0.00 O ATOM 773 CB TYR A 53 -1.842 -5.764 -0.153 1.00 0.00 C ATOM 774 CG TYR A 53 -1.862 -6.973 -1.061 1.00 0.00 C ATOM 775 CD1 TYR A 53 -2.567 -8.118 -0.712 1.00 0.00 C ATOM 776 CD2 TYR A 53 -1.176 -6.969 -2.270 1.00 0.00 C ATOM 777 CE1 TYR A 53 -2.587 -9.224 -1.538 1.00 0.00 C ATOM 778 CE2 TYR A 53 -1.192 -8.071 -3.103 1.00 0.00 C ATOM 779 CZ TYR A 53 -1.898 -9.196 -2.733 1.00 0.00 C ATOM 780 OH TYR A 53 -1.917 -10.296 -3.560 1.00 0.00 O ATOM 0 H TYR A 53 -1.669 -6.971 2.543 1.00 0.00 H new ATOM 0 HA TYR A 53 0.184 -5.911 0.550 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.834 -5.627 0.278 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.628 -4.876 -0.748 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.109 -8.143 0.222 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.621 -6.090 -2.563 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.139 -10.107 -1.250 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.654 -8.051 -4.039 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.383 -10.112 -4.361 1.00 0.00 H new ATOM 790 N SER A 54 -0.388 -3.511 1.373 1.00 0.00 N ATOM 791 CA SER A 54 -0.404 -2.261 2.124 1.00 0.00 C ATOM 792 C SER A 54 -0.425 -1.061 1.182 1.00 0.00 C ATOM 793 O SER A 54 0.308 -1.020 0.194 1.00 0.00 O ATOM 794 CB SER A 54 0.815 -2.180 3.045 1.00 0.00 C ATOM 795 OG SER A 54 0.855 -3.281 3.936 1.00 0.00 O ATOM 0 H SER A 54 0.047 -3.444 0.453 1.00 0.00 H new ATOM 0 HA SER A 54 -1.310 -2.241 2.729 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.726 -2.159 2.447 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.785 -1.250 3.612 1.00 0.00 H new ATOM 0 HG SER A 54 1.183 -4.074 3.462 1.00 0.00 H new ATOM 801 N LEU A 55 -1.271 -0.086 1.496 1.00 0.00 N ATOM 802 CA LEU A 55 -1.390 1.117 0.679 1.00 0.00 C ATOM 803 C LEU A 55 -0.428 2.199 1.160 1.00 0.00 C ATOM 804 O LEU A 55 0.066 2.148 2.287 1.00 0.00 O ATOM 805 CB LEU A 55 -2.826 1.642 0.714 1.00 0.00 C ATOM 806 CG LEU A 55 -3.245 2.529 -0.458 1.00 0.00 C ATOM 807 CD1 LEU A 55 -3.259 1.731 -1.753 1.00 0.00 C ATOM 808 CD2 LEU A 55 -4.610 3.149 -0.197 1.00 0.00 C ATOM 0 H LEU A 55 -1.885 -0.105 2.310 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.131 0.856 -0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.503 0.789 0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.963 2.205 1.637 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.516 3.333 -0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.560 2.379 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.262 1.336 -1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.965 0.906 -1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.892 3.777 -1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.350 2.359 -0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.567 3.756 0.708 1.00 0.00 H new ATOM 820 N TYR A 56 -0.169 3.178 0.301 1.00 0.00 N ATOM 821 CA TYR A 56 0.733 4.272 0.638 1.00 0.00 C ATOM 822 C TYR A 56 0.240 5.588 0.042 1.00 0.00 C ATOM 823 O TYR A 56 0.233 5.767 -1.176 1.00 0.00 O ATOM 824 CB TYR A 56 2.145 3.970 0.136 1.00 0.00 C ATOM 825 CG TYR A 56 2.872 2.932 0.962 1.00 0.00 C ATOM 826 CD1 TYR A 56 2.481 1.599 0.938 1.00 0.00 C ATOM 827 CD2 TYR A 56 3.949 3.285 1.766 1.00 0.00 C ATOM 828 CE1 TYR A 56 3.142 0.648 1.691 1.00 0.00 C ATOM 829 CE2 TYR A 56 4.616 2.340 2.521 1.00 0.00 C ATOM 830 CZ TYR A 56 4.209 1.023 2.481 1.00 0.00 C ATOM 831 OH TYR A 56 4.870 0.079 3.232 1.00 0.00 O ATOM 0 H TYR A 56 -0.571 3.236 -0.634 1.00 0.00 H new ATOM 0 HA TYR A 56 0.754 4.370 1.723 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.089 3.626 -0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.726 4.892 0.134 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.646 1.301 0.320 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.270 4.316 1.801 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.825 -0.384 1.661 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.452 2.631 3.140 1.00 0.00 H new ATOM 0 HH TYR A 56 5.597 0.508 3.730 1.00 0.00 H new ATOM 841 N PHE A 57 -0.172 6.505 0.911 1.00 0.00 N ATOM 842 CA PHE A 57 -0.667 7.805 0.472 1.00 0.00 C ATOM 843 C PHE A 57 0.136 8.936 1.109 1.00 0.00 C ATOM 844 O PHE A 57 0.601 8.819 2.242 1.00 0.00 O ATOM 845 CB PHE A 57 -2.148 7.955 0.824 1.00 0.00 C ATOM 846 CG PHE A 57 -2.756 9.235 0.326 1.00 0.00 C ATOM 847 CD1 PHE A 57 -2.708 9.563 -1.019 1.00 0.00 C ATOM 848 CD2 PHE A 57 -3.374 10.112 1.204 1.00 0.00 C ATOM 849 CE1 PHE A 57 -3.267 10.740 -1.481 1.00 0.00 C ATOM 850 CE2 PHE A 57 -3.935 11.290 0.748 1.00 0.00 C ATOM 851 CZ PHE A 57 -3.880 11.605 -0.596 1.00 0.00 C ATOM 0 H PHE A 57 -0.173 6.372 1.922 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.550 7.865 -0.610 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.700 7.113 0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.263 7.905 1.907 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.228 8.891 -1.715 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.418 9.872 2.256 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.224 10.983 -2.533 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.416 11.964 1.442 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.316 12.526 -0.954 1.00 0.00 H new ATOM 861 N ARG A 58 0.294 10.030 0.370 1.00 0.00 N ATOM 862 CA ARG A 58 1.042 11.181 0.861 1.00 0.00 C ATOM 863 C ARG A 58 0.097 12.270 1.361 1.00 0.00 C ATOM 864 O ARG A 58 -0.982 12.476 0.804 1.00 0.00 O ATOM 865 CB ARG A 58 1.942 11.740 -0.243 1.00 0.00 C ATOM 866 CG ARG A 58 2.532 13.102 0.083 1.00 0.00 C ATOM 867 CD ARG A 58 3.743 12.981 0.995 1.00 0.00 C ATOM 868 NE ARG A 58 4.170 14.278 1.512 1.00 0.00 N ATOM 869 CZ ARG A 58 4.724 15.223 0.761 1.00 0.00 C ATOM 870 NH1 ARG A 58 4.916 15.016 -0.535 1.00 0.00 N ATOM 871 NH2 ARG A 58 5.087 16.377 1.305 1.00 0.00 N ATOM 0 H ARG A 58 -0.086 10.143 -0.570 1.00 0.00 H new ATOM 0 HA ARG A 58 1.662 10.851 1.694 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.754 11.037 -0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.367 11.814 -1.166 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.819 13.606 -0.840 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.775 13.722 0.562 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.505 12.319 1.828 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.565 12.521 0.447 1.00 0.00 H new ATOM 0 HE ARG A 58 4.035 14.469 2.505 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.638 14.130 -0.957 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.342 15.743 -1.110 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.941 16.540 2.301 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.512 17.102 0.727 1.00 0.00 H new ATOM 885 N THR A 59 0.509 12.964 2.418 1.00 0.00 N ATOM 886 CA THR A 59 -0.301 14.030 2.994 1.00 0.00 C ATOM 887 C THR A 59 0.568 15.204 3.433 1.00 0.00 C ATOM 888 O THR A 59 1.795 15.121 3.415 1.00 0.00 O ATOM 889 CB THR A 59 -1.113 13.528 4.203 1.00 0.00 C ATOM 890 OG1 THR A 59 -0.228 13.112 5.249 1.00 0.00 O ATOM 891 CG2 THR A 59 -2.015 12.370 3.804 1.00 0.00 C ATOM 0 H THR A 59 1.398 12.807 2.892 1.00 0.00 H new ATOM 0 HA THR A 59 -0.989 14.360 2.216 1.00 0.00 H new ATOM 0 HB THR A 59 -1.736 14.348 4.560 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.386 12.429 4.906 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.579 12.032 4.673 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.707 12.698 3.028 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.407 11.549 3.424 1.00 0.00 H new ATOM 899 N ASN A 60 -0.078 16.297 3.826 1.00 0.00 N ATOM 900 CA ASN A 60 0.636 17.489 4.270 1.00 0.00 C ATOM 901 C ASN A 60 1.547 17.169 5.451 1.00 0.00 C ATOM 902 O ASN A 60 2.693 17.613 5.502 1.00 0.00 O ATOM 903 CB ASN A 60 -0.355 18.588 4.658 1.00 0.00 C ATOM 904 CG ASN A 60 -0.886 18.415 6.068 1.00 0.00 C ATOM 905 OD1 ASN A 60 -1.717 17.399 6.267 1.00 0.00 O flip ATOM 906 ND2 ASN A 60 -0.553 19.187 6.967 1.00 0.00 N flip ATOM 0 H ASN A 60 -1.094 16.382 3.846 1.00 0.00 H new ATOM 0 HA ASN A 60 1.253 17.842 3.443 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.132 19.559 4.573 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.189 18.586 3.956 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.089 19.955 6.768 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.919 19.059 7.911 1.00 0.00 H new ATOM 913 N GLU A 61 1.027 16.395 6.399 1.00 0.00 N ATOM 914 CA GLU A 61 1.794 16.016 7.581 1.00 0.00 C ATOM 915 C GLU A 61 2.940 15.080 7.208 1.00 0.00 C ATOM 916 O GLU A 61 4.110 15.449 7.294 1.00 0.00 O ATOM 917 CB GLU A 61 0.885 15.343 8.611 1.00 0.00 C ATOM 918 CG GLU A 61 1.375 15.490 10.042 1.00 0.00 C ATOM 919 CD GLU A 61 1.620 16.935 10.430 1.00 0.00 C ATOM 920 OE1 GLU A 61 0.867 17.811 9.956 1.00 0.00 O ATOM 921 OE2 GLU A 61 2.564 17.190 11.207 1.00 0.00 O ATOM 0 H GLU A 61 0.079 16.019 6.372 1.00 0.00 H new ATOM 0 HA GLU A 61 2.215 16.922 8.016 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.116 15.768 8.533 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.801 14.283 8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.640 15.055 10.720 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.298 14.923 10.166 1.00 0.00 H new ATOM 928 N ASN A 62 2.593 13.865 6.795 1.00 0.00 N ATOM 929 CA ASN A 62 3.592 12.874 6.410 1.00 0.00 C ATOM 930 C ASN A 62 2.948 11.721 5.647 1.00 0.00 C ATOM 931 O ASN A 62 1.747 11.477 5.768 1.00 0.00 O ATOM 932 CB ASN A 62 4.315 12.341 7.649 1.00 0.00 C ATOM 933 CG ASN A 62 3.358 11.758 8.671 1.00 0.00 C ATOM 934 OD1 ASN A 62 2.483 12.455 9.186 1.00 0.00 O ATOM 935 ND2 ASN A 62 3.520 10.475 8.968 1.00 0.00 N ATOM 0 H ASN A 62 1.628 13.543 6.718 1.00 0.00 H new ATOM 0 HA ASN A 62 4.316 13.359 5.756 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.031 11.576 7.348 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.886 13.148 8.109 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.906 10.027 9.648 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.259 9.936 8.516 1.00 0.00 H new ATOM 942 N ILE A 63 3.755 11.015 4.862 1.00 0.00 N ATOM 943 CA ILE A 63 3.264 9.886 4.081 1.00 0.00 C ATOM 944 C ILE A 63 2.667 8.811 4.983 1.00 0.00 C ATOM 945 O ILE A 63 3.337 8.297 5.878 1.00 0.00 O ATOM 946 CB ILE A 63 4.385 9.261 3.229 1.00 0.00 C ATOM 947 CG1 ILE A 63 4.896 10.271 2.199 1.00 0.00 C ATOM 948 CG2 ILE A 63 3.886 8.000 2.540 1.00 0.00 C ATOM 949 CD1 ILE A 63 6.251 9.918 1.628 1.00 0.00 C ATOM 0 H ILE A 63 4.751 11.205 4.750 1.00 0.00 H new ATOM 0 HA ILE A 63 2.489 10.273 3.420 1.00 0.00 H new ATOM 0 HB ILE A 63 5.212 8.990 3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.175 10.344 1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.952 11.255 2.664 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.689 7.570 1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.566 7.278 3.291 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.045 8.248 1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.550 10.677 0.905 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.985 9.874 2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.196 8.948 1.134 1.00 0.00 H new ATOM 961 N GLN A 64 1.405 8.476 4.739 1.00 0.00 N ATOM 962 CA GLN A 64 0.718 7.461 5.529 1.00 0.00 C ATOM 963 C GLN A 64 0.576 6.162 4.742 1.00 0.00 C ATOM 964 O GLN A 64 0.758 6.140 3.525 1.00 0.00 O ATOM 965 CB GLN A 64 -0.661 7.965 5.957 1.00 0.00 C ATOM 966 CG GLN A 64 -1.435 8.645 4.839 1.00 0.00 C ATOM 967 CD GLN A 64 -2.795 9.141 5.289 1.00 0.00 C ATOM 968 OE1 GLN A 64 -2.836 10.356 5.823 1.00 0.00 O flip ATOM 969 NE2 GLN A 64 -3.798 8.440 5.157 1.00 0.00 N flip ATOM 0 H GLN A 64 0.837 8.892 4.001 1.00 0.00 H new ATOM 0 HA GLN A 64 1.317 7.262 6.418 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.245 7.125 6.333 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.542 8.666 6.783 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.854 9.485 4.459 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.563 7.945 4.013 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.720 7.512 4.741 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.707 8.787 5.463 1.00 0.00 H new ATOM 978 N ARG A 65 0.252 5.082 5.446 1.00 0.00 N ATOM 979 CA ARG A 65 0.088 3.779 4.813 1.00 0.00 C ATOM 980 C ARG A 65 -1.027 2.984 5.487 1.00 0.00 C ATOM 981 O ARG A 65 -1.368 3.232 6.643 1.00 0.00 O ATOM 982 CB ARG A 65 1.398 2.992 4.871 1.00 0.00 C ATOM 983 CG ARG A 65 1.720 2.447 6.252 1.00 0.00 C ATOM 984 CD ARG A 65 3.215 2.237 6.434 1.00 0.00 C ATOM 985 NE ARG A 65 3.566 1.972 7.827 1.00 0.00 N ATOM 986 CZ ARG A 65 3.260 0.844 8.459 1.00 0.00 C ATOM 987 NH1 ARG A 65 2.602 -0.117 7.826 1.00 0.00 N ATOM 988 NH2 ARG A 65 3.614 0.677 9.727 1.00 0.00 N ATOM 0 H ARG A 65 0.098 5.084 6.454 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.184 3.941 3.770 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.345 2.163 4.166 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.214 3.637 4.545 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.354 3.138 7.011 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.198 1.502 6.402 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.542 1.403 5.813 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.750 3.121 6.087 1.00 0.00 H new ATOM 0 HE ARG A 65 4.073 2.692 8.342 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.329 0.008 6.851 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.368 -0.982 8.314 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.121 1.415 10.216 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.379 -0.189 10.212 1.00 0.00 H new ATOM 1002 N PHE A 66 -1.590 2.028 4.756 1.00 0.00 N ATOM 1003 CA PHE A 66 -2.666 1.197 5.282 1.00 0.00 C ATOM 1004 C PHE A 66 -2.364 -0.284 5.070 1.00 0.00 C ATOM 1005 O PHE A 66 -1.438 -0.642 4.343 1.00 0.00 O ATOM 1006 CB PHE A 66 -3.993 1.559 4.612 1.00 0.00 C ATOM 1007 CG PHE A 66 -4.181 3.036 4.413 1.00 0.00 C ATOM 1008 CD1 PHE A 66 -3.995 3.919 5.465 1.00 0.00 C ATOM 1009 CD2 PHE A 66 -4.544 3.542 3.175 1.00 0.00 C ATOM 1010 CE1 PHE A 66 -4.166 5.279 5.285 1.00 0.00 C ATOM 1011 CE2 PHE A 66 -4.717 4.900 2.990 1.00 0.00 C ATOM 1012 CZ PHE A 66 -4.529 5.770 4.046 1.00 0.00 C ATOM 0 H PHE A 66 -1.319 1.810 3.797 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.744 1.384 6.353 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.050 1.060 3.645 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.813 1.175 5.218 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.713 3.540 6.436 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.693 2.867 2.345 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.016 5.957 6.112 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.999 5.281 2.020 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.665 6.832 3.903 1.00 0.00 H new ATOM 1022 N LYS A 67 -3.153 -1.140 5.711 1.00 0.00 N ATOM 1023 CA LYS A 67 -2.972 -2.582 5.593 1.00 0.00 C ATOM 1024 C LYS A 67 -4.218 -3.241 5.011 1.00 0.00 C ATOM 1025 O LYS A 67 -5.342 -2.913 5.394 1.00 0.00 O ATOM 1026 CB LYS A 67 -2.653 -3.190 6.961 1.00 0.00 C ATOM 1027 CG LYS A 67 -1.187 -3.086 7.346 1.00 0.00 C ATOM 1028 CD LYS A 67 -0.906 -3.789 8.663 1.00 0.00 C ATOM 1029 CE LYS A 67 0.530 -4.285 8.735 1.00 0.00 C ATOM 1030 NZ LYS A 67 0.671 -5.445 9.657 1.00 0.00 N ATOM 0 H LYS A 67 -3.924 -0.860 6.317 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.137 -2.764 4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.256 -2.692 7.720 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.946 -4.240 6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.571 -3.524 6.560 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.904 -2.036 7.425 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.098 -3.105 9.490 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.589 -4.630 8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.866 -4.571 7.738 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.178 -3.475 9.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.664 -5.753 9.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.375 -5.166 10.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.073 -6.228 9.324 1.00 0.00 H new ATOM 1044 N ILE A 68 -4.012 -4.171 4.085 1.00 0.00 N ATOM 1045 CA ILE A 68 -5.120 -4.877 3.452 1.00 0.00 C ATOM 1046 C ILE A 68 -4.976 -6.386 3.619 1.00 0.00 C ATOM 1047 O ILE A 68 -3.983 -6.976 3.192 1.00 0.00 O ATOM 1048 CB ILE A 68 -5.216 -4.544 1.951 1.00 0.00 C ATOM 1049 CG1 ILE A 68 -5.396 -3.038 1.751 1.00 0.00 C ATOM 1050 CG2 ILE A 68 -6.363 -5.311 1.311 1.00 0.00 C ATOM 1051 CD1 ILE A 68 -4.976 -2.556 0.380 1.00 0.00 C ATOM 0 H ILE A 68 -3.089 -4.453 3.756 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.032 -4.544 3.948 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.288 -4.847 1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.443 -2.781 1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.817 -2.508 2.507 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.418 -5.065 0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.194 -6.382 1.427 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.300 -5.037 1.796 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.131 -1.479 0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.921 -2.782 0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.572 -3.059 -0.381 1.00 0.00 H new ATOM 1063 N CYS A 69 -5.974 -7.004 4.240 1.00 0.00 N ATOM 1064 CA CYS A 69 -5.961 -8.446 4.462 1.00 0.00 C ATOM 1065 C CYS A 69 -6.892 -9.156 3.484 1.00 0.00 C ATOM 1066 O CYS A 69 -7.984 -8.680 3.173 1.00 0.00 O ATOM 1067 CB CYS A 69 -6.372 -8.765 5.900 1.00 0.00 C ATOM 1068 SG CYS A 69 -5.105 -8.382 7.132 1.00 0.00 S ATOM 0 H CYS A 69 -6.803 -6.530 4.599 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.946 -8.805 4.294 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -7.277 -8.207 6.140 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -6.622 -9.824 5.969 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.547 -8.684 8.317 1.00 0.00 H new ATOM 1074 N PRO A 70 -6.451 -10.320 2.987 1.00 0.00 N ATOM 1075 CA PRO A 70 -7.230 -11.120 2.036 1.00 0.00 C ATOM 1076 C PRO A 70 -8.461 -11.749 2.679 1.00 0.00 C ATOM 1077 O PRO A 70 -8.595 -11.767 3.903 1.00 0.00 O ATOM 1078 CB PRO A 70 -6.244 -12.205 1.595 1.00 0.00 C ATOM 1079 CG PRO A 70 -5.282 -12.326 2.726 1.00 0.00 C ATOM 1080 CD PRO A 70 -5.159 -10.947 3.314 1.00 0.00 C ATOM 0 HA PRO A 70 -7.616 -10.516 1.215 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.754 -13.150 1.406 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.736 -11.927 0.672 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.642 -13.037 3.470 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.315 -12.690 2.379 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.991 -10.983 4.390 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.324 -10.398 2.879 1.00 0.00 H new ATOM 1088 N THR A 71 -9.360 -12.264 1.846 1.00 0.00 N ATOM 1089 CA THR A 71 -10.581 -12.893 2.334 1.00 0.00 C ATOM 1090 C THR A 71 -10.945 -14.112 1.494 1.00 0.00 C ATOM 1091 O THR A 71 -10.749 -14.139 0.278 1.00 0.00 O ATOM 1092 CB THR A 71 -11.764 -11.906 2.324 1.00 0.00 C ATOM 1093 OG1 THR A 71 -11.969 -11.400 1.001 1.00 0.00 O ATOM 1094 CG2 THR A 71 -11.511 -10.750 3.281 1.00 0.00 C ATOM 0 H THR A 71 -9.265 -12.258 0.830 1.00 0.00 H new ATOM 0 HA THR A 71 -10.387 -13.206 3.360 1.00 0.00 H new ATOM 0 HB THR A 71 -12.657 -12.439 2.650 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.119 -11.403 0.514 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.359 -10.066 3.257 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.384 -11.136 4.292 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.608 -10.219 2.980 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.489 -15.145 2.154 1.00 0.00 N ATOM 1103 CA PRO A 72 -11.893 -16.386 1.486 1.00 0.00 C ATOM 1104 C PRO A 72 -13.110 -16.192 0.589 1.00 0.00 C ATOM 1105 O PRO A 72 -13.557 -17.125 -0.077 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.230 -17.321 2.650 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.598 -16.413 3.772 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.751 -15.182 3.602 1.00 0.00 C ATOM 0 HA PRO A 72 -11.113 -16.767 0.827 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.053 -17.989 2.395 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.379 -17.949 2.912 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.659 -16.164 3.741 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.410 -16.887 4.735 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.272 -14.286 3.939 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.827 -15.248 4.176 1.00 0.00 H new ATOM 1116 N ASN A 73 -13.642 -14.974 0.576 1.00 0.00 N ATOM 1117 CA ASN A 73 -14.809 -14.658 -0.240 1.00 0.00 C ATOM 1118 C ASN A 73 -14.390 -14.053 -1.576 1.00 0.00 C ATOM 1119 O ASN A 73 -15.171 -13.360 -2.227 1.00 0.00 O ATOM 1120 CB ASN A 73 -15.730 -13.690 0.504 1.00 0.00 C ATOM 1121 CG ASN A 73 -16.447 -14.351 1.666 1.00 0.00 C ATOM 1122 OD1 ASN A 73 -15.857 -14.587 2.721 1.00 0.00 O ATOM 1123 ND2 ASN A 73 -17.726 -14.654 1.477 1.00 0.00 N ATOM 0 H ASN A 73 -13.284 -14.190 1.121 1.00 0.00 H new ATOM 0 HA ASN A 73 -15.348 -15.585 -0.434 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.145 -12.848 0.873 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.466 -13.286 -0.191 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -18.260 -15.101 2.223 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -18.175 -14.440 0.586 1.00 0.00 H new ATOM 1130 N ASN A 74 -13.152 -14.322 -1.979 1.00 0.00 N ATOM 1131 CA ASN A 74 -12.629 -13.804 -3.238 1.00 0.00 C ATOM 1132 C ASN A 74 -12.669 -12.279 -3.258 1.00 0.00 C ATOM 1133 O ASN A 74 -12.843 -11.667 -4.312 1.00 0.00 O ATOM 1134 CB ASN A 74 -13.431 -14.362 -4.416 1.00 0.00 C ATOM 1135 CG ASN A 74 -12.655 -14.316 -5.718 1.00 0.00 C ATOM 1136 OD1 ASN A 74 -12.985 -13.551 -6.624 1.00 0.00 O ATOM 1137 ND2 ASN A 74 -11.616 -15.138 -5.816 1.00 0.00 N ATOM 0 H ASN A 74 -12.493 -14.895 -1.452 1.00 0.00 H new ATOM 0 HA ASN A 74 -11.591 -14.124 -3.330 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.716 -15.392 -4.202 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.354 -13.792 -4.526 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.055 -15.152 -6.668 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.379 -15.755 -5.039 1.00 0.00 H new ATOM 1144 N GLN A 75 -12.507 -11.673 -2.087 1.00 0.00 N ATOM 1145 CA GLN A 75 -12.525 -10.219 -1.970 1.00 0.00 C ATOM 1146 C GLN A 75 -11.340 -9.725 -1.148 1.00 0.00 C ATOM 1147 O GLN A 75 -10.486 -10.510 -0.735 1.00 0.00 O ATOM 1148 CB GLN A 75 -13.834 -9.754 -1.330 1.00 0.00 C ATOM 1149 CG GLN A 75 -15.002 -9.702 -2.303 1.00 0.00 C ATOM 1150 CD GLN A 75 -16.345 -9.787 -1.606 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -16.696 -10.818 -1.031 1.00 0.00 O ATOM 1152 NE2 GLN A 75 -17.107 -8.700 -1.654 1.00 0.00 N ATOM 0 H GLN A 75 -12.362 -12.165 -1.206 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.449 -9.798 -2.973 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.086 -10.425 -0.509 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.686 -8.764 -0.899 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.952 -8.776 -2.876 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.914 -10.522 -3.015 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.777 -7.867 -2.141 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -18.022 -8.698 -1.203 1.00 0.00 H new ATOM 1161 N PHE A 76 -11.292 -8.417 -0.914 1.00 0.00 N ATOM 1162 CA PHE A 76 -10.211 -7.817 -0.142 1.00 0.00 C ATOM 1163 C PHE A 76 -10.763 -6.943 0.980 1.00 0.00 C ATOM 1164 O PHE A 76 -11.745 -6.225 0.795 1.00 0.00 O ATOM 1165 CB PHE A 76 -9.306 -6.985 -1.054 1.00 0.00 C ATOM 1166 CG PHE A 76 -8.431 -7.815 -1.949 1.00 0.00 C ATOM 1167 CD1 PHE A 76 -7.183 -8.237 -1.522 1.00 0.00 C ATOM 1168 CD2 PHE A 76 -8.857 -8.171 -3.219 1.00 0.00 C ATOM 1169 CE1 PHE A 76 -6.375 -9.001 -2.344 1.00 0.00 C ATOM 1170 CE2 PHE A 76 -8.054 -8.935 -4.045 1.00 0.00 C ATOM 1171 CZ PHE A 76 -6.811 -9.350 -3.607 1.00 0.00 C ATOM 0 H PHE A 76 -11.990 -7.753 -1.249 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.626 -8.622 0.303 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.925 -6.332 -1.669 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.677 -6.342 -0.439 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.837 -7.966 -0.535 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.827 -7.848 -3.567 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.404 -9.324 -1.999 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.398 -9.207 -5.032 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.182 -9.946 -4.251 1.00 0.00 H new ATOM 1181 N MET A 77 -10.124 -7.011 2.143 1.00 0.00 N ATOM 1182 CA MET A 77 -10.551 -6.226 3.296 1.00 0.00 C ATOM 1183 C MET A 77 -9.561 -5.102 3.584 1.00 0.00 C ATOM 1184 O MET A 77 -8.357 -5.335 3.692 1.00 0.00 O ATOM 1185 CB MET A 77 -10.694 -7.123 4.526 1.00 0.00 C ATOM 1186 CG MET A 77 -12.079 -7.732 4.676 1.00 0.00 C ATOM 1187 SD MET A 77 -12.143 -9.008 5.948 1.00 0.00 S ATOM 1188 CE MET A 77 -11.083 -8.291 7.201 1.00 0.00 C ATOM 0 H MET A 77 -9.309 -7.601 2.312 1.00 0.00 H new ATOM 0 HA MET A 77 -11.520 -5.783 3.064 1.00 0.00 H new ATOM 0 HB2 MET A 77 -9.958 -7.925 4.469 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.463 -6.542 5.419 1.00 0.00 H new ATOM 0 HG2 MET A 77 -12.793 -6.945 4.920 1.00 0.00 H new ATOM 0 HG3 MET A 77 -12.389 -8.159 3.722 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.201 -8.840 8.135 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.044 -8.348 6.875 1.00 0.00 H new ATOM 0 HE3 MET A 77 -11.358 -7.248 7.356 1.00 0.00 H new ATOM 1198 N MET A 78 -10.076 -3.883 3.708 1.00 0.00 N ATOM 1199 CA MET A 78 -9.236 -2.723 3.985 1.00 0.00 C ATOM 1200 C MET A 78 -9.769 -1.939 5.180 1.00 0.00 C ATOM 1201 O MET A 78 -10.715 -1.164 5.053 1.00 0.00 O ATOM 1202 CB MET A 78 -9.162 -1.815 2.756 1.00 0.00 C ATOM 1203 CG MET A 78 -8.553 -0.452 3.043 1.00 0.00 C ATOM 1204 SD MET A 78 -8.030 0.405 1.546 1.00 0.00 S ATOM 1205 CE MET A 78 -7.535 1.990 2.218 1.00 0.00 C ATOM 0 H MET A 78 -11.070 -3.673 3.621 1.00 0.00 H new ATOM 0 HA MET A 78 -8.234 -3.080 4.225 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.575 -2.311 1.983 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.166 -1.678 2.355 1.00 0.00 H new ATOM 0 HG2 MET A 78 -9.281 0.162 3.573 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.696 -0.574 3.705 1.00 0.00 H new ATOM 0 HE1 MET A 78 -7.545 2.740 1.427 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.229 2.284 3.005 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.530 1.912 2.631 1.00 0.00 H new ATOM 1215 N GLY A 79 -9.154 -2.147 6.341 1.00 0.00 N ATOM 1216 CA GLY A 79 -9.581 -1.453 7.541 1.00 0.00 C ATOM 1217 C GLY A 79 -10.685 -2.188 8.275 1.00 0.00 C ATOM 1218 O GLY A 79 -10.534 -2.545 9.442 1.00 0.00 O ATOM 0 H GLY A 79 -8.368 -2.784 6.471 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.727 -1.327 8.207 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.928 -0.454 7.275 1.00 0.00 H new ATOM 1222 N GLY A 80 -11.801 -2.415 7.588 1.00 0.00 N ATOM 1223 CA GLY A 80 -12.919 -3.110 8.199 1.00 0.00 C ATOM 1224 C GLY A 80 -14.122 -3.192 7.280 1.00 0.00 C ATOM 1225 O GLY A 80 -15.264 -3.168 7.739 1.00 0.00 O ATOM 0 H GLY A 80 -11.950 -2.130 6.620 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.609 -4.117 8.477 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.202 -2.598 9.119 1.00 0.00 H new ATOM 1229 N ARG A 81 -13.866 -3.288 5.980 1.00 0.00 N ATOM 1230 CA ARG A 81 -14.937 -3.371 4.994 1.00 0.00 C ATOM 1231 C ARG A 81 -14.633 -4.441 3.949 1.00 0.00 C ATOM 1232 O ARG A 81 -13.574 -5.068 3.978 1.00 0.00 O ATOM 1233 CB ARG A 81 -15.136 -2.017 4.310 1.00 0.00 C ATOM 1234 CG ARG A 81 -15.691 -0.945 5.233 1.00 0.00 C ATOM 1235 CD ARG A 81 -15.653 0.427 4.578 1.00 0.00 C ATOM 1236 NE ARG A 81 -16.475 1.399 5.295 1.00 0.00 N ATOM 1237 CZ ARG A 81 -16.723 2.625 4.847 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -16.213 3.027 3.691 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -17.481 3.451 5.556 1.00 0.00 N ATOM 0 H ARG A 81 -12.926 -3.310 5.585 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.855 -3.646 5.514 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.181 -1.679 3.907 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.812 -2.142 3.464 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.718 -1.192 5.504 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.114 -0.924 6.157 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.623 0.782 4.539 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.002 0.347 3.548 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.881 1.121 6.189 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -15.629 2.395 3.144 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -16.405 3.969 3.349 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -17.874 3.145 6.446 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -17.671 4.392 5.211 1.00 0.00 H new ATOM 1253 N TYR A 82 -15.569 -4.645 3.029 1.00 0.00 N ATOM 1254 CA TYR A 82 -15.403 -5.641 1.977 1.00 0.00 C ATOM 1255 C TYR A 82 -15.579 -5.011 0.599 1.00 0.00 C ATOM 1256 O TYR A 82 -16.533 -4.271 0.359 1.00 0.00 O ATOM 1257 CB TYR A 82 -16.407 -6.780 2.162 1.00 0.00 C ATOM 1258 CG TYR A 82 -16.572 -7.214 3.601 1.00 0.00 C ATOM 1259 CD1 TYR A 82 -15.505 -7.748 4.313 1.00 0.00 C ATOM 1260 CD2 TYR A 82 -17.796 -7.092 4.248 1.00 0.00 C ATOM 1261 CE1 TYR A 82 -15.652 -8.147 5.627 1.00 0.00 C ATOM 1262 CE2 TYR A 82 -17.951 -7.486 5.562 1.00 0.00 C ATOM 1263 CZ TYR A 82 -16.876 -8.014 6.248 1.00 0.00 C ATOM 1264 OH TYR A 82 -17.027 -8.409 7.557 1.00 0.00 O ATOM 0 H TYR A 82 -16.451 -4.134 2.990 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.392 -6.042 2.047 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -17.376 -6.466 1.773 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -16.087 -7.636 1.568 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.544 -7.853 3.831 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -18.640 -6.682 3.714 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.812 -8.561 6.166 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -18.908 -7.382 6.051 1.00 0.00 H new ATOM 0 HH TYR A 82 -17.950 -8.247 7.843 1.00 0.00 H new ATOM 1274 N TYR A 83 -14.652 -5.312 -0.304 1.00 0.00 N ATOM 1275 CA TYR A 83 -14.702 -4.775 -1.659 1.00 0.00 C ATOM 1276 C TYR A 83 -14.479 -5.877 -2.690 1.00 0.00 C ATOM 1277 O TYR A 83 -13.613 -6.734 -2.521 1.00 0.00 O ATOM 1278 CB TYR A 83 -13.651 -3.677 -1.834 1.00 0.00 C ATOM 1279 CG TYR A 83 -13.808 -2.529 -0.863 1.00 0.00 C ATOM 1280 CD1 TYR A 83 -13.201 -2.563 0.387 1.00 0.00 C ATOM 1281 CD2 TYR A 83 -14.563 -1.411 -1.194 1.00 0.00 C ATOM 1282 CE1 TYR A 83 -13.341 -1.517 1.278 1.00 0.00 C ATOM 1283 CE2 TYR A 83 -14.708 -0.359 -0.310 1.00 0.00 C ATOM 1284 CZ TYR A 83 -14.095 -0.417 0.925 1.00 0.00 C ATOM 1285 OH TYR A 83 -14.238 0.628 1.809 1.00 0.00 O ATOM 0 H TYR A 83 -13.857 -5.925 -0.122 1.00 0.00 H new ATOM 0 HA TYR A 83 -15.693 -4.349 -1.818 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -12.659 -4.112 -1.712 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -13.707 -3.291 -2.852 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -12.610 -3.422 0.666 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -15.045 -1.363 -2.159 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -12.863 -1.560 2.245 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -15.298 0.503 -0.584 1.00 0.00 H new ATOM 0 HH TYR A 83 -14.798 1.323 1.405 1.00 0.00 H new ATOM 1295 N ASN A 84 -15.268 -5.846 -3.759 1.00 0.00 N ATOM 1296 CA ASN A 84 -15.158 -6.842 -4.819 1.00 0.00 C ATOM 1297 C ASN A 84 -13.695 -7.140 -5.135 1.00 0.00 C ATOM 1298 O ASN A 84 -13.286 -8.300 -5.194 1.00 0.00 O ATOM 1299 CB ASN A 84 -15.875 -6.356 -6.080 1.00 0.00 C ATOM 1300 CG ASN A 84 -17.159 -5.612 -5.765 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -17.042 -4.314 -5.512 1.00 0.00 O flip ATOM 1302 ND2 ASN A 84 -18.241 -6.198 -5.750 1.00 0.00 N flip ATOM 0 H ASN A 84 -15.990 -5.143 -3.914 1.00 0.00 H new ATOM 0 HA ASN A 84 -15.631 -7.761 -4.471 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -15.209 -5.703 -6.644 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -16.101 -7.210 -6.718 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -18.283 -7.197 -5.951 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -19.096 -5.685 -5.537 1.00 0.00 H new ATOM 1309 N SER A 85 -12.912 -6.086 -5.337 1.00 0.00 N ATOM 1310 CA SER A 85 -11.496 -6.234 -5.651 1.00 0.00 C ATOM 1311 C SER A 85 -10.758 -4.911 -5.471 1.00 0.00 C ATOM 1312 O SER A 85 -11.372 -3.844 -5.447 1.00 0.00 O ATOM 1313 CB SER A 85 -11.319 -6.738 -7.084 1.00 0.00 C ATOM 1314 OG SER A 85 -11.761 -5.773 -8.023 1.00 0.00 O ATOM 0 H SER A 85 -13.234 -5.119 -5.289 1.00 0.00 H new ATOM 0 HA SER A 85 -11.071 -6.964 -4.962 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.269 -6.971 -7.264 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.878 -7.664 -7.219 1.00 0.00 H new ATOM 0 HG SER A 85 -11.635 -6.119 -8.931 1.00 0.00 H new ATOM 1320 N ILE A 86 -9.438 -4.989 -5.344 1.00 0.00 N ATOM 1321 CA ILE A 86 -8.615 -3.799 -5.167 1.00 0.00 C ATOM 1322 C ILE A 86 -8.986 -2.720 -6.178 1.00 0.00 C ATOM 1323 O ILE A 86 -9.196 -1.562 -5.818 1.00 0.00 O ATOM 1324 CB ILE A 86 -7.117 -4.124 -5.306 1.00 0.00 C ATOM 1325 CG1 ILE A 86 -6.703 -5.178 -4.276 1.00 0.00 C ATOM 1326 CG2 ILE A 86 -6.283 -2.862 -5.144 1.00 0.00 C ATOM 1327 CD1 ILE A 86 -5.265 -5.626 -4.413 1.00 0.00 C ATOM 0 H ILE A 86 -8.915 -5.865 -5.360 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.805 -3.431 -4.159 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.940 -4.528 -6.303 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.855 -4.775 -3.275 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.356 -6.045 -4.373 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.226 -3.109 -5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.562 -2.140 -5.912 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.462 -2.431 -4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.042 -6.373 -3.651 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -5.111 -6.059 -5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.603 -4.769 -4.286 1.00 0.00 H new ATOM 1339 N GLY A 87 -9.066 -3.108 -7.448 1.00 0.00 N ATOM 1340 CA GLY A 87 -9.413 -2.162 -8.492 1.00 0.00 C ATOM 1341 C GLY A 87 -10.617 -1.315 -8.131 1.00 0.00 C ATOM 1342 O GLY A 87 -10.658 -0.122 -8.433 1.00 0.00 O ATOM 0 H GLY A 87 -8.897 -4.060 -7.772 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.560 -1.511 -8.686 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.618 -2.704 -9.415 1.00 0.00 H new ATOM 1346 N ASP A 88 -11.599 -1.932 -7.484 1.00 0.00 N ATOM 1347 CA ASP A 88 -12.811 -1.226 -7.081 1.00 0.00 C ATOM 1348 C ASP A 88 -12.508 -0.208 -5.986 1.00 0.00 C ATOM 1349 O ASP A 88 -12.833 0.973 -6.116 1.00 0.00 O ATOM 1350 CB ASP A 88 -13.866 -2.219 -6.593 1.00 0.00 C ATOM 1351 CG ASP A 88 -14.763 -2.708 -7.714 1.00 0.00 C ATOM 1352 OD1 ASP A 88 -15.458 -1.870 -8.326 1.00 0.00 O ATOM 1353 OD2 ASP A 88 -14.771 -3.929 -7.978 1.00 0.00 O ATOM 0 H ASP A 88 -11.580 -2.919 -7.227 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.198 -0.694 -7.950 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.371 -3.072 -6.129 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.476 -1.747 -5.823 1.00 0.00 H new ATOM 1358 N ILE A 89 -11.884 -0.673 -4.909 1.00 0.00 N ATOM 1359 CA ILE A 89 -11.538 0.197 -3.792 1.00 0.00 C ATOM 1360 C ILE A 89 -11.111 1.577 -4.282 1.00 0.00 C ATOM 1361 O ILE A 89 -11.404 2.590 -3.647 1.00 0.00 O ATOM 1362 CB ILE A 89 -10.406 -0.405 -2.939 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -10.724 -1.859 -2.585 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -10.198 0.420 -1.678 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.805 -2.439 -1.533 1.00 0.00 C ATOM 0 H ILE A 89 -11.608 -1.647 -4.786 1.00 0.00 H new ATOM 0 HA ILE A 89 -12.433 0.293 -3.178 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.483 -0.385 -3.519 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -11.753 -1.922 -2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.659 -2.467 -3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -9.395 -0.018 -1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.932 1.441 -1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.118 0.428 -1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.089 -3.472 -1.332 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.776 -2.408 -1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.887 -1.855 -0.616 1.00 0.00 H new ATOM 1377 N ILE A 90 -10.419 1.608 -5.416 1.00 0.00 N ATOM 1378 CA ILE A 90 -9.954 2.863 -5.993 1.00 0.00 C ATOM 1379 C ILE A 90 -11.127 3.739 -6.419 1.00 0.00 C ATOM 1380 O ILE A 90 -11.236 4.894 -6.006 1.00 0.00 O ATOM 1381 CB ILE A 90 -9.041 2.620 -7.208 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -7.682 2.083 -6.754 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -8.868 3.904 -8.006 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -7.644 0.577 -6.615 1.00 0.00 C ATOM 0 H ILE A 90 -10.168 0.778 -5.953 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.384 3.375 -5.218 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.509 1.875 -7.851 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.920 2.393 -7.469 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.423 2.535 -5.797 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.220 3.716 -8.862 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.841 4.248 -8.356 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.419 4.669 -7.372 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.651 0.267 -6.290 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.382 0.261 -5.878 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.872 0.117 -7.577 1.00 0.00 H new ATOM 1396 N ASP A 91 -12.004 3.183 -7.247 1.00 0.00 N ATOM 1397 CA ASP A 91 -13.171 3.912 -7.728 1.00 0.00 C ATOM 1398 C ASP A 91 -14.092 4.288 -6.572 1.00 0.00 C ATOM 1399 O ASP A 91 -14.825 5.275 -6.643 1.00 0.00 O ATOM 1400 CB ASP A 91 -13.936 3.074 -8.754 1.00 0.00 C ATOM 1401 CG ASP A 91 -13.197 2.956 -10.072 1.00 0.00 C ATOM 1402 OD1 ASP A 91 -12.082 2.394 -10.079 1.00 0.00 O ATOM 1403 OD2 ASP A 91 -13.733 3.427 -11.098 1.00 0.00 O ATOM 0 H ASP A 91 -11.929 2.229 -7.599 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.824 4.829 -8.205 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -14.110 2.078 -8.348 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.914 3.522 -8.928 1.00 0.00 H new ATOM 1408 N HIS A 92 -14.050 3.493 -5.507 1.00 0.00 N ATOM 1409 CA HIS A 92 -14.881 3.742 -4.334 1.00 0.00 C ATOM 1410 C HIS A 92 -14.349 4.925 -3.532 1.00 0.00 C ATOM 1411 O HIS A 92 -15.120 5.717 -2.988 1.00 0.00 O ATOM 1412 CB HIS A 92 -14.938 2.496 -3.450 1.00 0.00 C ATOM 1413 CG HIS A 92 -16.125 2.464 -2.536 1.00 0.00 C ATOM 1414 ND1 HIS A 92 -16.452 3.503 -1.691 1.00 0.00 N ATOM 1415 CD2 HIS A 92 -17.065 1.510 -2.339 1.00 0.00 C ATOM 1416 CE1 HIS A 92 -17.542 3.189 -1.013 1.00 0.00 C ATOM 1417 NE2 HIS A 92 -17.934 1.985 -1.388 1.00 0.00 N ATOM 0 H HIS A 92 -13.450 2.672 -5.432 1.00 0.00 H new ATOM 0 HA HIS A 92 -15.888 3.982 -4.677 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -14.955 1.610 -4.085 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -14.028 2.442 -2.852 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -15.934 4.377 -1.603 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -17.121 0.553 -2.837 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -18.029 3.811 -0.277 1.00 0.00 H new ATOM 1425 N TYR A 93 -13.027 5.040 -3.462 1.00 0.00 N ATOM 1426 CA TYR A 93 -12.392 6.125 -2.724 1.00 0.00 C ATOM 1427 C TYR A 93 -12.413 7.419 -3.531 1.00 0.00 C ATOM 1428 O TYR A 93 -12.597 8.504 -2.980 1.00 0.00 O ATOM 1429 CB TYR A 93 -10.950 5.754 -2.371 1.00 0.00 C ATOM 1430 CG TYR A 93 -10.835 4.859 -1.158 1.00 0.00 C ATOM 1431 CD1 TYR A 93 -11.520 5.153 0.015 1.00 0.00 C ATOM 1432 CD2 TYR A 93 -10.041 3.719 -1.185 1.00 0.00 C ATOM 1433 CE1 TYR A 93 -11.416 4.338 1.126 1.00 0.00 C ATOM 1434 CE2 TYR A 93 -9.932 2.898 -0.079 1.00 0.00 C ATOM 1435 CZ TYR A 93 -10.622 3.212 1.074 1.00 0.00 C ATOM 1436 OH TYR A 93 -10.517 2.397 2.178 1.00 0.00 O ATOM 0 H TYR A 93 -12.375 4.395 -3.908 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.955 6.283 -1.804 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.493 5.255 -3.225 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.382 6.667 -2.194 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.144 6.033 0.059 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.500 3.470 -2.086 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.954 4.582 2.030 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.310 2.016 -0.117 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.068 1.563 1.927 1.00 0.00 H new ATOM 1446 N ARG A 94 -12.224 7.294 -4.841 1.00 0.00 N ATOM 1447 CA ARG A 94 -12.221 8.453 -5.726 1.00 0.00 C ATOM 1448 C ARG A 94 -13.408 9.366 -5.431 1.00 0.00 C ATOM 1449 O ARG A 94 -13.346 10.575 -5.656 1.00 0.00 O ATOM 1450 CB ARG A 94 -12.259 8.005 -7.188 1.00 0.00 C ATOM 1451 CG ARG A 94 -10.890 7.675 -7.759 1.00 0.00 C ATOM 1452 CD ARG A 94 -10.950 7.470 -9.265 1.00 0.00 C ATOM 1453 NE ARG A 94 -11.455 8.652 -9.959 1.00 0.00 N ATOM 1454 CZ ARG A 94 -10.739 9.753 -10.153 1.00 0.00 C ATOM 1455 NH1 ARG A 94 -9.491 9.823 -9.708 1.00 0.00 N ATOM 1456 NH2 ARG A 94 -11.269 10.787 -10.793 1.00 0.00 N ATOM 0 H ARG A 94 -12.071 6.403 -5.312 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.302 9.012 -5.548 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.900 7.128 -7.274 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.714 8.792 -7.789 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.194 8.481 -7.528 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.503 6.774 -7.283 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.955 7.228 -9.638 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -11.590 6.617 -9.489 1.00 0.00 H new ATOM 0 HE ARG A 94 -12.411 8.630 -10.314 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.080 9.030 -9.216 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -8.943 10.670 -9.858 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.228 10.737 -11.137 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.718 11.632 -10.941 1.00 0.00 H new ATOM 1470 N LYS A 95 -14.488 8.779 -4.927 1.00 0.00 N ATOM 1471 CA LYS A 95 -15.689 9.537 -4.600 1.00 0.00 C ATOM 1472 C LYS A 95 -15.876 9.636 -3.089 1.00 0.00 C ATOM 1473 O LYS A 95 -16.708 10.404 -2.607 1.00 0.00 O ATOM 1474 CB LYS A 95 -16.918 8.883 -5.235 1.00 0.00 C ATOM 1475 CG LYS A 95 -17.221 7.498 -4.689 1.00 0.00 C ATOM 1476 CD LYS A 95 -18.524 6.951 -5.247 1.00 0.00 C ATOM 1477 CE LYS A 95 -19.720 7.425 -4.436 1.00 0.00 C ATOM 1478 NZ LYS A 95 -20.982 6.763 -4.870 1.00 0.00 N ATOM 0 H LYS A 95 -14.556 7.779 -4.736 1.00 0.00 H new ATOM 0 HA LYS A 95 -15.573 10.544 -5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.784 9.525 -5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -16.767 8.815 -6.312 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.404 6.821 -4.939 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -17.279 7.539 -3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -18.638 7.267 -6.284 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -18.492 5.861 -5.247 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -19.547 7.220 -3.380 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -19.823 8.505 -4.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -21.774 7.113 -4.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -21.161 6.980 -5.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -20.894 5.734 -4.749 1.00 0.00 H new ATOM 1492 N GLU A 96 -15.096 8.856 -2.348 1.00 0.00 N ATOM 1493 CA GLU A 96 -15.176 8.857 -0.892 1.00 0.00 C ATOM 1494 C GLU A 96 -13.818 9.171 -0.273 1.00 0.00 C ATOM 1495 O GLU A 96 -12.856 8.423 -0.450 1.00 0.00 O ATOM 1496 CB GLU A 96 -15.680 7.504 -0.386 1.00 0.00 C ATOM 1497 CG GLU A 96 -17.188 7.343 -0.478 1.00 0.00 C ATOM 1498 CD GLU A 96 -17.925 8.111 0.602 1.00 0.00 C ATOM 1499 OE1 GLU A 96 -18.132 9.330 0.428 1.00 0.00 O ATOM 1500 OE2 GLU A 96 -18.293 7.492 1.623 1.00 0.00 O ATOM 0 H GLU A 96 -14.401 8.215 -2.732 1.00 0.00 H new ATOM 0 HA GLU A 96 -15.880 9.633 -0.593 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.203 6.710 -0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.372 7.376 0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -17.527 7.684 -1.456 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.442 6.286 -0.404 1.00 0.00 H new ATOM 1507 N GLN A 97 -13.747 10.281 0.454 1.00 0.00 N ATOM 1508 CA GLN A 97 -12.506 10.694 1.099 1.00 0.00 C ATOM 1509 C GLN A 97 -11.854 9.523 1.826 1.00 0.00 C ATOM 1510 O GLN A 97 -12.410 8.990 2.787 1.00 0.00 O ATOM 1511 CB GLN A 97 -12.773 11.835 2.082 1.00 0.00 C ATOM 1512 CG GLN A 97 -14.130 11.748 2.762 1.00 0.00 C ATOM 1513 CD GLN A 97 -14.248 12.679 3.952 1.00 0.00 C ATOM 1514 OE1 GLN A 97 -14.285 12.236 5.100 1.00 0.00 O ATOM 1515 NE2 GLN A 97 -14.307 13.978 3.685 1.00 0.00 N ATOM 0 H GLN A 97 -14.534 10.911 0.611 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.823 11.043 0.325 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.994 11.837 2.844 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.702 12.785 1.551 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.910 11.988 2.039 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -14.303 10.723 3.089 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.273 14.302 2.718 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -14.386 14.652 4.446 1.00 0.00 H new ATOM 1524 N ILE A 98 -10.675 9.127 1.361 1.00 0.00 N ATOM 1525 CA ILE A 98 -9.947 8.019 1.967 1.00 0.00 C ATOM 1526 C ILE A 98 -9.270 8.450 3.263 1.00 0.00 C ATOM 1527 O ILE A 98 -8.906 7.617 4.094 1.00 0.00 O ATOM 1528 CB ILE A 98 -8.884 7.452 1.009 1.00 0.00 C ATOM 1529 CG1 ILE A 98 -8.091 6.336 1.694 1.00 0.00 C ATOM 1530 CG2 ILE A 98 -7.952 8.558 0.538 1.00 0.00 C ATOM 1531 CD1 ILE A 98 -7.245 5.523 0.740 1.00 0.00 C ATOM 0 H ILE A 98 -10.203 9.557 0.566 1.00 0.00 H new ATOM 0 HA ILE A 98 -10.679 7.241 2.184 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.388 7.032 0.138 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.446 6.774 2.455 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -8.785 5.671 2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.206 8.141 -0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.528 9.322 0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.453 9.004 1.398 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.711 4.751 1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.886 5.055 -0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.527 6.176 0.244 1.00 0.00 H new ATOM 1543 N VAL A 99 -9.104 9.759 3.431 1.00 0.00 N ATOM 1544 CA VAL A 99 -8.473 10.302 4.628 1.00 0.00 C ATOM 1545 C VAL A 99 -9.380 11.316 5.315 1.00 0.00 C ATOM 1546 O VAL A 99 -10.524 11.516 4.909 1.00 0.00 O ATOM 1547 CB VAL A 99 -7.127 10.974 4.297 1.00 0.00 C ATOM 1548 CG1 VAL A 99 -6.168 10.856 5.471 1.00 0.00 C ATOM 1549 CG2 VAL A 99 -6.523 10.365 3.040 1.00 0.00 C ATOM 0 H VAL A 99 -9.398 10.462 2.753 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.296 9.463 5.301 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.305 12.033 4.110 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.223 11.336 5.218 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.601 11.343 6.345 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.992 9.803 5.693 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.573 10.851 2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.358 9.299 3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.206 10.508 2.202 1.00 0.00 H new ATOM 1559 N GLU A 100 -8.860 11.955 6.359 1.00 0.00 N ATOM 1560 CA GLU A 100 -9.624 12.950 7.103 1.00 0.00 C ATOM 1561 C GLU A 100 -9.583 14.304 6.401 1.00 0.00 C ATOM 1562 O GLU A 100 -9.487 15.347 7.046 1.00 0.00 O ATOM 1563 CB GLU A 100 -9.079 13.084 8.526 1.00 0.00 C ATOM 1564 CG GLU A 100 -7.623 13.517 8.582 1.00 0.00 C ATOM 1565 CD GLU A 100 -7.302 14.321 9.827 1.00 0.00 C ATOM 1566 OE1 GLU A 100 -8.235 14.908 10.413 1.00 0.00 O ATOM 1567 OE2 GLU A 100 -6.115 14.363 10.216 1.00 0.00 O ATOM 0 H GLU A 100 -7.914 11.801 6.708 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.660 12.615 7.149 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.685 13.807 9.072 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.185 12.128 9.038 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.984 12.635 8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.391 14.113 7.699 1.00 0.00 H new ATOM 1574 N GLY A 101 -9.656 14.279 5.074 1.00 0.00 N ATOM 1575 CA GLY A 101 -9.625 15.510 4.306 1.00 0.00 C ATOM 1576 C GLY A 101 -8.751 15.402 3.072 1.00 0.00 C ATOM 1577 O GLY A 101 -8.077 16.361 2.695 1.00 0.00 O ATOM 0 H GLY A 101 -9.736 13.428 4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.639 15.774 4.007 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.258 16.319 4.937 1.00 0.00 H new ATOM 1581 N TYR A 102 -8.759 14.232 2.444 1.00 0.00 N ATOM 1582 CA TYR A 102 -7.957 14.000 1.249 1.00 0.00 C ATOM 1583 C TYR A 102 -8.603 12.946 0.355 1.00 0.00 C ATOM 1584 O TYR A 102 -9.123 11.940 0.838 1.00 0.00 O ATOM 1585 CB TYR A 102 -6.543 13.561 1.634 1.00 0.00 C ATOM 1586 CG TYR A 102 -5.683 14.687 2.164 1.00 0.00 C ATOM 1587 CD1 TYR A 102 -5.721 15.044 3.506 1.00 0.00 C ATOM 1588 CD2 TYR A 102 -4.831 15.391 1.322 1.00 0.00 C ATOM 1589 CE1 TYR A 102 -4.938 16.072 3.994 1.00 0.00 C ATOM 1590 CE2 TYR A 102 -4.043 16.420 1.802 1.00 0.00 C ATOM 1591 CZ TYR A 102 -4.100 16.756 3.138 1.00 0.00 C ATOM 1592 OH TYR A 102 -3.317 17.780 3.621 1.00 0.00 O ATOM 0 H TYR A 102 -9.312 13.429 2.743 1.00 0.00 H new ATOM 0 HA TYR A 102 -7.901 14.936 0.694 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -6.608 12.778 2.389 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.057 13.123 0.762 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -6.374 14.509 4.179 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -4.784 15.130 0.275 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.982 16.339 5.040 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.386 16.958 1.134 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.925 17.515 4.479 1.00 0.00 H new ATOM 1602 N TYR A 103 -8.564 13.184 -0.951 1.00 0.00 N ATOM 1603 CA TYR A 103 -9.147 12.257 -1.914 1.00 0.00 C ATOM 1604 C TYR A 103 -8.076 11.688 -2.839 1.00 0.00 C ATOM 1605 O TYR A 103 -6.974 12.229 -2.940 1.00 0.00 O ATOM 1606 CB TYR A 103 -10.228 12.958 -2.738 1.00 0.00 C ATOM 1607 CG TYR A 103 -11.542 13.113 -2.006 1.00 0.00 C ATOM 1608 CD1 TYR A 103 -11.778 14.212 -1.189 1.00 0.00 C ATOM 1609 CD2 TYR A 103 -12.547 12.162 -2.130 1.00 0.00 C ATOM 1610 CE1 TYR A 103 -12.976 14.358 -0.517 1.00 0.00 C ATOM 1611 CE2 TYR A 103 -13.749 12.301 -1.464 1.00 0.00 C ATOM 1612 CZ TYR A 103 -13.958 13.400 -0.658 1.00 0.00 C ATOM 1613 OH TYR A 103 -15.154 13.542 0.009 1.00 0.00 O ATOM 0 H TYR A 103 -8.135 14.011 -1.367 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.598 11.434 -1.360 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -9.867 13.944 -3.032 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.397 12.394 -3.655 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -11.012 14.965 -1.078 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -12.386 11.299 -2.758 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -13.143 15.218 0.115 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -14.521 11.553 -1.574 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.737 12.782 -0.199 1.00 0.00 H new ATOM 1623 N LEU A 104 -8.407 10.593 -3.514 1.00 0.00 N ATOM 1624 CA LEU A 104 -7.475 9.948 -4.433 1.00 0.00 C ATOM 1625 C LEU A 104 -7.583 10.551 -5.830 1.00 0.00 C ATOM 1626 O LEU A 104 -8.470 10.194 -6.605 1.00 0.00 O ATOM 1627 CB LEU A 104 -7.744 8.444 -4.492 1.00 0.00 C ATOM 1628 CG LEU A 104 -7.555 7.676 -3.183 1.00 0.00 C ATOM 1629 CD1 LEU A 104 -7.819 6.193 -3.392 1.00 0.00 C ATOM 1630 CD2 LEU A 104 -6.154 7.898 -2.633 1.00 0.00 C ATOM 0 H LEU A 104 -9.314 10.133 -3.442 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.464 10.115 -4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.767 8.291 -4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.087 8.007 -5.244 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.274 8.053 -2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.680 5.662 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.842 6.051 -3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.125 5.801 -4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.037 7.344 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.419 7.548 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.001 8.961 -2.445 1.00 0.00 H new ATOM 1642 N LYS A 105 -6.673 11.467 -6.145 1.00 0.00 N ATOM 1643 CA LYS A 105 -6.663 12.118 -7.450 1.00 0.00 C ATOM 1644 C LYS A 105 -6.147 11.169 -8.527 1.00 0.00 C ATOM 1645 O LYS A 105 -6.912 10.694 -9.366 1.00 0.00 O ATOM 1646 CB LYS A 105 -5.795 13.377 -7.407 1.00 0.00 C ATOM 1647 CG LYS A 105 -6.484 14.569 -6.765 1.00 0.00 C ATOM 1648 CD LYS A 105 -7.435 15.252 -7.733 1.00 0.00 C ATOM 1649 CE LYS A 105 -6.695 16.197 -8.667 1.00 0.00 C ATOM 1650 NZ LYS A 105 -7.562 16.664 -9.784 1.00 0.00 N ATOM 0 H LYS A 105 -5.933 11.775 -5.514 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.687 12.398 -7.697 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.879 13.158 -6.858 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.502 13.641 -8.423 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.035 14.241 -5.884 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.735 15.284 -6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.963 14.499 -8.319 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.188 15.807 -7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.335 17.057 -8.103 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.818 15.693 -9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.021 17.306 -10.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.885 15.845 -10.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.386 17.167 -9.397 1.00 0.00 H new ATOM 1664 N GLU A 106 -4.846 10.896 -8.496 1.00 0.00 N ATOM 1665 CA GLU A 106 -4.230 10.002 -9.470 1.00 0.00 C ATOM 1666 C GLU A 106 -3.050 9.257 -8.855 1.00 0.00 C ATOM 1667 O GLU A 106 -2.231 9.827 -8.133 1.00 0.00 O ATOM 1668 CB GLU A 106 -3.766 10.791 -10.697 1.00 0.00 C ATOM 1669 CG GLU A 106 -2.682 11.811 -10.390 1.00 0.00 C ATOM 1670 CD GLU A 106 -2.158 12.499 -11.635 1.00 0.00 C ATOM 1671 OE1 GLU A 106 -2.903 13.310 -12.223 1.00 0.00 O ATOM 1672 OE2 GLU A 106 -1.003 12.225 -12.022 1.00 0.00 O ATOM 0 H GLU A 106 -4.199 11.281 -7.808 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.978 9.271 -9.778 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.395 10.094 -11.448 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.623 11.304 -11.134 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -3.078 12.561 -9.705 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.857 11.316 -9.879 1.00 0.00 H new ATOM 1679 N PRO A 107 -2.959 7.950 -9.146 1.00 0.00 N ATOM 1680 CA PRO A 107 -1.883 7.098 -8.631 1.00 0.00 C ATOM 1681 C PRO A 107 -0.532 7.431 -9.254 1.00 0.00 C ATOM 1682 O PRO A 107 -0.439 7.706 -10.451 1.00 0.00 O ATOM 1683 CB PRO A 107 -2.325 5.688 -9.033 1.00 0.00 C ATOM 1684 CG PRO A 107 -3.204 5.891 -10.219 1.00 0.00 C ATOM 1685 CD PRO A 107 -3.900 7.205 -9.999 1.00 0.00 C ATOM 0 HA PRO A 107 -1.740 7.225 -7.558 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -1.469 5.059 -9.278 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -2.861 5.195 -8.222 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -2.620 5.908 -11.139 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -3.925 5.079 -10.314 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -4.087 7.723 -10.939 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.866 7.072 -9.511 1.00 0.00 H new ATOM 1693 N VAL A 108 0.515 7.403 -8.436 1.00 0.00 N ATOM 1694 CA VAL A 108 1.862 7.700 -8.907 1.00 0.00 C ATOM 1695 C VAL A 108 2.351 6.635 -9.883 1.00 0.00 C ATOM 1696 O VAL A 108 2.215 5.434 -9.648 1.00 0.00 O ATOM 1697 CB VAL A 108 2.857 7.802 -7.736 1.00 0.00 C ATOM 1698 CG1 VAL A 108 2.875 6.509 -6.936 1.00 0.00 C ATOM 1699 CG2 VAL A 108 4.249 8.142 -8.247 1.00 0.00 C ATOM 0 H VAL A 108 0.456 7.177 -7.443 1.00 0.00 H new ATOM 0 HA VAL A 108 1.813 8.662 -9.417 1.00 0.00 H new ATOM 0 HB VAL A 108 2.532 8.605 -7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 108 3.584 6.600 -6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.879 6.314 -6.538 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.175 5.685 -7.583 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.939 8.210 -7.406 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.586 7.363 -8.931 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.221 9.097 -8.771 1.00 0.00 H new ATOM 1709 N PRO A 109 2.933 7.084 -11.005 1.00 0.00 N ATOM 1710 CA PRO A 109 3.455 6.185 -12.039 1.00 0.00 C ATOM 1711 C PRO A 109 4.697 5.431 -11.578 1.00 0.00 C ATOM 1712 O PRO A 109 5.246 5.711 -10.513 1.00 0.00 O ATOM 1713 CB PRO A 109 3.801 7.133 -13.190 1.00 0.00 C ATOM 1714 CG PRO A 109 4.050 8.448 -12.536 1.00 0.00 C ATOM 1715 CD PRO A 109 3.128 8.502 -11.350 1.00 0.00 C ATOM 0 HA PRO A 109 2.736 5.411 -12.307 1.00 0.00 H new ATOM 0 HB2 PRO A 109 4.680 6.789 -13.735 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.985 7.197 -13.909 1.00 0.00 H new ATOM 0 HG2 PRO A 109 5.091 8.538 -12.225 1.00 0.00 H new ATOM 0 HG3 PRO A 109 3.850 9.270 -13.224 1.00 0.00 H new ATOM 0 HD2 PRO A 109 3.569 9.060 -10.524 1.00 0.00 H new ATOM 0 HD3 PRO A 109 2.185 8.989 -11.596 1.00 0.00 H new ATOM 1723 N MET A 110 5.136 4.472 -12.388 1.00 0.00 N ATOM 1724 CA MET A 110 6.315 3.678 -12.063 1.00 0.00 C ATOM 1725 C MET A 110 7.530 4.163 -12.848 1.00 0.00 C ATOM 1726 O MET A 110 7.449 5.139 -13.593 1.00 0.00 O ATOM 1727 CB MET A 110 6.059 2.200 -12.359 1.00 0.00 C ATOM 1728 CG MET A 110 4.626 1.766 -12.093 1.00 0.00 C ATOM 1729 SD MET A 110 4.194 0.236 -12.943 1.00 0.00 S ATOM 1730 CE MET A 110 4.353 0.743 -14.654 1.00 0.00 C ATOM 0 H MET A 110 4.693 4.227 -13.273 1.00 0.00 H new ATOM 0 HA MET A 110 6.520 3.797 -10.999 1.00 0.00 H new ATOM 0 HB2 MET A 110 6.303 1.999 -13.402 1.00 0.00 H new ATOM 0 HB3 MET A 110 6.732 1.594 -11.752 1.00 0.00 H new ATOM 0 HG2 MET A 110 4.484 1.634 -11.020 1.00 0.00 H new ATOM 0 HG3 MET A 110 3.946 2.557 -12.409 1.00 0.00 H new ATOM 0 HE1 MET A 110 3.659 0.170 -15.269 1.00 0.00 H new ATOM 0 HE2 MET A 110 4.124 1.805 -14.742 1.00 0.00 H new ATOM 0 HE3 MET A 110 5.373 0.563 -14.994 1.00 0.00 H new