USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 402 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 35 LYS NZ :NH3+ -151:sc= -0.0427 (180deg=-1.01) USER MOD Set 1.2: A 38 LYS NZ :NH3+ -158:sc= 0 (180deg=0) USER MOD Set 2.1: A 25 TYR OH : rot -174:sc= -0.19 USER MOD Set 2.2: A 29 ASN : amide:sc= -1.35 X(o=-1.5,f=-1.9) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.325 X(o=-0.33,f=-0.014) USER MOD Single : A 17 HIS : no HD1:sc= -0.0312 X(o=-0.031,f=-0.0034) USER MOD Single : A 18 GLN : amide:sc= -5.41! C(o=-5.4!,f=-6!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -136:sc= -0.101 (180deg=-1.51!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 31 ASN : amide:sc= 0.00712 K(o=0.0071,f=-1.9) USER MOD Single : A 39 GLN : amide:sc= -0.681 K(o=-0.68,f=-0.14) USER MOD Single : A 42 GLN : amide:sc= -0.0829 K(o=-0.083,f=-1.6!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -63:sc= 0.164 USER MOD Single : A 47 THR OG1 : rot 180:sc= -2.39! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.806 K(o=-0.81,f=-0.11) USER MOD Single : A 56 GLN : amide:sc= -0.0331 X(o=-0.033,f=-0.5) USER MOD Single : A 57 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 178 N PHE A 14 -12.431 -1.306 -0.762 1.00 0.00 N ATOM 179 CA PHE A 14 -11.914 -1.789 0.513 1.00 0.00 C ATOM 180 C PHE A 14 -12.654 -1.143 1.681 1.00 0.00 C ATOM 181 O PHE A 14 -13.248 -0.074 1.539 1.00 0.00 O ATOM 182 CB PHE A 14 -10.415 -1.502 0.622 1.00 0.00 C ATOM 183 CG PHE A 14 -9.614 -2.050 -0.525 1.00 0.00 C ATOM 184 CD1 PHE A 14 -9.516 -3.417 -0.726 1.00 0.00 C ATOM 185 CD2 PHE A 14 -8.959 -1.199 -1.400 1.00 0.00 C ATOM 186 CE1 PHE A 14 -8.781 -3.926 -1.780 1.00 0.00 C ATOM 187 CE2 PHE A 14 -8.223 -1.701 -2.455 1.00 0.00 C ATOM 188 CZ PHE A 14 -8.132 -3.066 -2.645 1.00 0.00 C ATOM 0 HA PHE A 14 -12.074 -2.866 0.556 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.263 -0.424 0.679 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.039 -1.926 1.553 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -10.020 -4.093 -0.051 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.025 -0.131 -1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.714 -4.994 -1.927 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.719 -1.027 -3.131 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.555 -3.460 -3.468 1.00 0.00 H new ATOM 198 N LYS A 15 -12.613 -1.799 2.835 1.00 0.00 N ATOM 199 CA LYS A 15 -13.278 -1.290 4.028 1.00 0.00 C ATOM 200 C LYS A 15 -12.323 -0.445 4.865 1.00 0.00 C ATOM 201 O LYS A 15 -11.142 -0.767 4.993 1.00 0.00 O ATOM 202 CB LYS A 15 -13.819 -2.449 4.869 1.00 0.00 C ATOM 203 CG LYS A 15 -14.642 -3.446 4.073 1.00 0.00 C ATOM 204 CD LYS A 15 -15.959 -2.842 3.615 1.00 0.00 C ATOM 205 CE LYS A 15 -16.792 -3.846 2.833 1.00 0.00 C ATOM 206 NZ LYS A 15 -18.098 -3.272 2.407 1.00 0.00 N ATOM 0 H LYS A 15 -12.126 -2.685 2.970 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.109 -0.660 3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.983 -2.971 5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.432 -2.046 5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.072 -3.779 3.206 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.838 -4.327 4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.523 -2.497 4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.763 -1.968 2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.236 -4.173 1.955 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.967 -4.729 3.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.635 -3.988 1.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.640 -2.983 3.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.932 -2.444 1.800 1.00 0.00 H new ATOM 220 N HIS A 16 -12.842 0.639 5.433 1.00 0.00 N ATOM 221 CA HIS A 16 -12.035 1.531 6.259 1.00 0.00 C ATOM 222 C HIS A 16 -11.425 0.777 7.436 1.00 0.00 C ATOM 223 O HIS A 16 -10.528 1.281 8.112 1.00 0.00 O ATOM 224 CB HIS A 16 -12.885 2.695 6.769 1.00 0.00 C ATOM 225 CG HIS A 16 -12.080 3.891 7.174 1.00 0.00 C ATOM 226 ND1 HIS A 16 -12.023 5.048 6.426 1.00 0.00 N ATOM 227 CD2 HIS A 16 -11.297 4.106 8.257 1.00 0.00 C ATOM 228 CE1 HIS A 16 -11.238 5.923 7.030 1.00 0.00 C ATOM 229 NE2 HIS A 16 -10.785 5.376 8.145 1.00 0.00 N ATOM 0 H HIS A 16 -13.817 0.921 5.337 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.226 1.924 5.644 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.590 2.988 5.991 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.474 2.358 7.622 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -11.110 3.409 9.060 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.006 6.916 6.673 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.158 5.824 8.813 1.00 0.00 H new ATOM 238 N HIS A 17 -11.917 -0.434 7.676 1.00 0.00 N ATOM 239 CA HIS A 17 -11.420 -1.259 8.772 1.00 0.00 C ATOM 240 C HIS A 17 -10.119 -1.954 8.382 1.00 0.00 C ATOM 241 O HIS A 17 -9.061 -1.670 8.943 1.00 0.00 O ATOM 242 CB HIS A 17 -12.466 -2.299 9.172 1.00 0.00 C ATOM 243 CG HIS A 17 -13.772 -1.700 9.599 1.00 0.00 C ATOM 244 ND1 HIS A 17 -14.164 -1.614 10.918 1.00 0.00 N ATOM 245 CD2 HIS A 17 -14.777 -1.157 8.874 1.00 0.00 C ATOM 246 CE1 HIS A 17 -15.354 -1.043 10.985 1.00 0.00 C ATOM 247 NE2 HIS A 17 -15.748 -0.756 9.758 1.00 0.00 N ATOM 0 H HIS A 17 -12.660 -0.866 7.126 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.223 -0.607 9.623 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.641 -2.969 8.330 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -12.070 -2.906 9.986 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -14.809 -1.057 7.799 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.910 -0.845 11.890 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.630 -0.309 9.508 1.00 0.00 H new ATOM 256 N GLN A 18 -10.206 -2.865 7.419 1.00 0.00 N ATOM 257 CA GLN A 18 -9.036 -3.601 6.956 1.00 0.00 C ATOM 258 C GLN A 18 -7.933 -2.646 6.511 1.00 0.00 C ATOM 259 O GLN A 18 -6.775 -2.791 6.905 1.00 0.00 O ATOM 260 CB GLN A 18 -9.416 -4.533 5.804 1.00 0.00 C ATOM 261 CG GLN A 18 -10.564 -4.013 4.955 1.00 0.00 C ATOM 262 CD GLN A 18 -10.476 -4.471 3.512 1.00 0.00 C ATOM 263 OE1 GLN A 18 -11.159 -5.412 3.105 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.635 -3.806 2.729 1.00 0.00 N ATOM 0 H GLN A 18 -11.074 -3.111 6.944 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.661 -4.198 7.788 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.544 -4.685 5.168 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.688 -5.507 6.210 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.509 -4.350 5.382 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.570 -2.923 4.987 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.089 -3.033 3.108 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.535 -4.068 1.748 1.00 0.00 H new ATOM 273 N LEU A 19 -8.299 -1.671 5.688 1.00 0.00 N ATOM 274 CA LEU A 19 -7.340 -0.691 5.188 1.00 0.00 C ATOM 275 C LEU A 19 -6.599 -0.019 6.338 1.00 0.00 C ATOM 276 O LEU A 19 -5.381 0.155 6.288 1.00 0.00 O ATOM 277 CB LEU A 19 -8.054 0.364 4.341 1.00 0.00 C ATOM 278 CG LEU A 19 -8.169 0.060 2.847 1.00 0.00 C ATOM 279 CD1 LEU A 19 -9.087 1.064 2.167 1.00 0.00 C ATOM 280 CD2 LEU A 19 -6.795 0.066 2.195 1.00 0.00 C ATOM 0 H LEU A 19 -9.253 -1.537 5.352 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.612 -1.215 4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.058 0.504 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.529 1.312 4.459 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.601 -0.934 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.157 0.832 1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.079 1.012 2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.684 2.069 2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.896 -0.152 1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.336 1.046 2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.167 -0.692 2.663 1.00 0.00 H new ATOM 292 N ARG A 20 -7.341 0.355 7.375 1.00 0.00 N ATOM 293 CA ARG A 20 -6.753 1.007 8.540 1.00 0.00 C ATOM 294 C ARG A 20 -5.471 0.299 8.970 1.00 0.00 C ATOM 295 O ARG A 20 -4.493 0.942 9.352 1.00 0.00 O ATOM 296 CB ARG A 20 -7.752 1.026 9.698 1.00 0.00 C ATOM 297 CG ARG A 20 -7.210 1.679 10.960 1.00 0.00 C ATOM 298 CD ARG A 20 -7.319 3.194 10.893 1.00 0.00 C ATOM 299 NE ARG A 20 -8.627 3.669 11.338 1.00 0.00 N ATOM 300 CZ ARG A 20 -8.988 3.738 12.615 1.00 0.00 C ATOM 301 NH1 ARG A 20 -8.143 3.367 13.567 1.00 0.00 N ATOM 302 NH2 ARG A 20 -10.195 4.181 12.941 1.00 0.00 N ATOM 0 H ARG A 20 -8.350 0.218 7.433 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.506 2.033 8.266 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.651 1.556 9.382 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.049 0.003 9.927 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.760 1.311 11.826 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.167 1.394 11.100 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.541 3.641 11.512 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.142 3.525 9.870 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.300 3.964 10.630 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.213 3.028 13.320 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.423 3.421 14.546 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.847 4.469 12.211 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.471 4.234 13.921 1.00 0.00 H new ATOM 316 N THR A 21 -5.485 -1.029 8.907 1.00 0.00 N ATOM 317 CA THR A 21 -4.326 -1.824 9.291 1.00 0.00 C ATOM 318 C THR A 21 -3.208 -1.700 8.262 1.00 0.00 C ATOM 319 O THR A 21 -2.033 -1.604 8.616 1.00 0.00 O ATOM 320 CB THR A 21 -4.694 -3.311 9.455 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.646 -3.466 10.514 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.457 -4.145 9.754 1.00 0.00 C ATOM 0 H THR A 21 -6.287 -1.576 8.594 1.00 0.00 H new ATOM 0 HA THR A 21 -3.980 -1.435 10.248 1.00 0.00 H new ATOM 0 HB THR A 21 -5.131 -3.660 8.519 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.876 -4.414 10.611 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.742 -5.191 9.866 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.746 -4.048 8.934 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.996 -3.794 10.677 1.00 0.00 H new ATOM 330 N MET A 22 -3.581 -1.701 6.987 1.00 0.00 N ATOM 331 CA MET A 22 -2.610 -1.586 5.906 1.00 0.00 C ATOM 332 C MET A 22 -2.010 -0.184 5.861 1.00 0.00 C ATOM 333 O MET A 22 -0.809 -0.004 6.070 1.00 0.00 O ATOM 334 CB MET A 22 -3.265 -1.916 4.564 1.00 0.00 C ATOM 335 CG MET A 22 -3.436 -3.407 4.321 1.00 0.00 C ATOM 336 SD MET A 22 -3.448 -3.828 2.568 1.00 0.00 S ATOM 337 CE MET A 22 -5.135 -3.418 2.133 1.00 0.00 C ATOM 0 H MET A 22 -4.549 -1.780 6.677 1.00 0.00 H new ATOM 0 HA MET A 22 -1.808 -2.300 6.095 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.242 -1.434 4.518 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.662 -1.492 3.761 1.00 0.00 H new ATOM 0 HG2 MET A 22 -2.628 -3.947 4.815 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.368 -3.741 4.777 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.552 -4.208 1.508 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.731 -3.320 3.040 1.00 0.00 H new ATOM 0 HE3 MET A 22 -5.151 -2.476 1.585 1.00 0.00 H new ATOM 347 N LYS A 23 -2.852 0.806 5.588 1.00 0.00 N ATOM 348 CA LYS A 23 -2.405 2.193 5.516 1.00 0.00 C ATOM 349 C LYS A 23 -1.409 2.502 6.628 1.00 0.00 C ATOM 350 O LYS A 23 -0.374 3.123 6.392 1.00 0.00 O ATOM 351 CB LYS A 23 -3.604 3.141 5.612 1.00 0.00 C ATOM 352 CG LYS A 23 -4.609 2.966 4.487 1.00 0.00 C ATOM 353 CD LYS A 23 -5.577 4.136 4.418 1.00 0.00 C ATOM 354 CE LYS A 23 -5.018 5.273 3.577 1.00 0.00 C ATOM 355 NZ LYS A 23 -5.732 6.554 3.832 1.00 0.00 N ATOM 0 H LYS A 23 -3.848 0.675 5.413 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.908 2.340 4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.107 2.981 6.566 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.244 4.170 5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.082 2.872 3.538 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.165 2.040 4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.524 3.801 3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.787 4.496 5.425 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.957 5.399 3.795 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.098 5.017 2.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.322 7.304 3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.740 6.442 3.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.634 6.812 4.835 1.00 0.00 H new ATOM 369 N SER A 24 -1.728 2.063 7.842 1.00 0.00 N ATOM 370 CA SER A 24 -0.861 2.294 8.991 1.00 0.00 C ATOM 371 C SER A 24 0.511 1.665 8.772 1.00 0.00 C ATOM 372 O SER A 24 1.542 2.307 8.981 1.00 0.00 O ATOM 373 CB SER A 24 -1.500 1.726 10.260 1.00 0.00 C ATOM 374 OG SER A 24 -0.567 1.688 11.327 1.00 0.00 O ATOM 0 H SER A 24 -2.581 1.545 8.055 1.00 0.00 H new ATOM 0 HA SER A 24 -0.732 3.370 9.108 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.357 2.336 10.544 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.875 0.721 10.064 1.00 0.00 H new ATOM 0 HG SER A 24 -1.000 1.323 12.127 1.00 0.00 H new ATOM 380 N TYR A 25 0.517 0.405 8.351 1.00 0.00 N ATOM 381 CA TYR A 25 1.762 -0.314 8.106 1.00 0.00 C ATOM 382 C TYR A 25 2.559 0.345 6.985 1.00 0.00 C ATOM 383 O TYR A 25 3.781 0.470 7.067 1.00 0.00 O ATOM 384 CB TYR A 25 1.471 -1.773 7.752 1.00 0.00 C ATOM 385 CG TYR A 25 2.717 -2.606 7.550 1.00 0.00 C ATOM 386 CD1 TYR A 25 3.441 -2.534 6.367 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.170 -3.464 8.545 1.00 0.00 C ATOM 388 CE1 TYR A 25 4.579 -3.295 6.179 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.307 -4.227 8.366 1.00 0.00 C ATOM 390 CZ TYR A 25 5.008 -4.140 7.181 1.00 0.00 C ATOM 391 OH TYR A 25 6.142 -4.898 6.998 1.00 0.00 O ATOM 0 H TYR A 25 -0.327 -0.140 8.172 1.00 0.00 H new ATOM 0 HA TYR A 25 2.358 -0.281 9.018 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.871 -2.218 8.546 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.871 -1.805 6.843 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.109 -1.872 5.581 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.624 -3.535 9.474 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.130 -3.228 5.252 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.646 -4.888 9.150 1.00 0.00 H new ATOM 0 HH TYR A 25 6.254 -5.508 7.757 1.00 0.00 H new ATOM 401 N PHE A 26 1.858 0.767 5.938 1.00 0.00 N ATOM 402 CA PHE A 26 2.499 1.413 4.799 1.00 0.00 C ATOM 403 C PHE A 26 3.549 2.416 5.263 1.00 0.00 C ATOM 404 O PHE A 26 4.618 2.535 4.664 1.00 0.00 O ATOM 405 CB PHE A 26 1.454 2.117 3.930 1.00 0.00 C ATOM 406 CG PHE A 26 2.046 3.083 2.945 1.00 0.00 C ATOM 407 CD1 PHE A 26 2.974 2.657 2.008 1.00 0.00 C ATOM 408 CD2 PHE A 26 1.675 4.418 2.956 1.00 0.00 C ATOM 409 CE1 PHE A 26 3.521 3.544 1.100 1.00 0.00 C ATOM 410 CE2 PHE A 26 2.219 5.310 2.050 1.00 0.00 C ATOM 411 CZ PHE A 26 3.143 4.873 1.122 1.00 0.00 C ATOM 0 H PHE A 26 0.846 0.673 5.855 1.00 0.00 H new ATOM 0 HA PHE A 26 2.994 0.643 4.208 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.878 1.366 3.389 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.756 2.651 4.575 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.273 1.620 1.987 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.953 4.766 3.680 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.243 3.199 0.374 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.921 6.348 2.068 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.570 5.569 0.414 1.00 0.00 H new ATOM 421 N ALA A 27 3.239 3.137 6.335 1.00 0.00 N ATOM 422 CA ALA A 27 4.156 4.130 6.881 1.00 0.00 C ATOM 423 C ALA A 27 5.363 3.462 7.533 1.00 0.00 C ATOM 424 O ALA A 27 6.492 3.935 7.398 1.00 0.00 O ATOM 425 CB ALA A 27 3.435 5.017 7.887 1.00 0.00 C ATOM 0 H ALA A 27 2.359 3.052 6.843 1.00 0.00 H new ATOM 0 HA ALA A 27 4.515 4.749 6.058 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.131 5.754 8.287 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.608 5.529 7.394 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.048 4.404 8.701 1.00 0.00 H new ATOM 431 N ILE A 28 5.116 2.363 8.237 1.00 0.00 N ATOM 432 CA ILE A 28 6.184 1.632 8.908 1.00 0.00 C ATOM 433 C ILE A 28 7.133 0.995 7.898 1.00 0.00 C ATOM 434 O ILE A 28 8.348 1.177 7.973 1.00 0.00 O ATOM 435 CB ILE A 28 5.621 0.532 9.829 1.00 0.00 C ATOM 436 CG1 ILE A 28 4.655 1.138 10.849 1.00 0.00 C ATOM 437 CG2 ILE A 28 6.754 -0.200 10.532 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.674 0.137 11.420 1.00 0.00 C ATOM 0 H ILE A 28 4.187 1.959 8.358 1.00 0.00 H new ATOM 0 HA ILE A 28 6.731 2.356 9.512 1.00 0.00 H new ATOM 0 HB ILE A 28 5.073 -0.188 9.221 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.229 1.578 11.664 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.101 1.949 10.376 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.341 -0.974 11.179 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.407 -0.658 9.789 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.327 0.507 11.132 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.020 0.636 12.136 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.074 -0.285 10.614 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.220 -0.662 11.922 1.00 0.00 H new ATOM 450 N ASN A 29 6.570 0.250 6.952 1.00 0.00 N ATOM 451 CA ASN A 29 7.366 -0.412 5.925 1.00 0.00 C ATOM 452 C ASN A 29 6.645 -0.393 4.582 1.00 0.00 C ATOM 453 O ASN A 29 5.445 -0.659 4.505 1.00 0.00 O ATOM 454 CB ASN A 29 7.667 -1.855 6.336 1.00 0.00 C ATOM 455 CG ASN A 29 8.745 -2.487 5.476 1.00 0.00 C ATOM 456 OD1 ASN A 29 9.620 -1.799 4.951 1.00 0.00 O ATOM 457 ND2 ASN A 29 8.684 -3.805 5.328 1.00 0.00 N ATOM 0 H ASN A 29 5.566 0.090 6.875 1.00 0.00 H new ATOM 0 HA ASN A 29 8.305 0.132 5.820 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.980 -1.875 7.380 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.755 -2.448 6.265 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.381 -4.287 4.760 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.940 -4.335 5.782 1.00 0.00 H new ATOM 464 N HIS A 30 7.384 -0.078 3.523 1.00 0.00 N ATOM 465 CA HIS A 30 6.816 -0.026 2.181 1.00 0.00 C ATOM 466 C HIS A 30 6.840 -1.404 1.527 1.00 0.00 C ATOM 467 O HIS A 30 5.838 -1.857 0.974 1.00 0.00 O ATOM 468 CB HIS A 30 7.585 0.974 1.316 1.00 0.00 C ATOM 469 CG HIS A 30 7.316 2.404 1.673 1.00 0.00 C ATOM 470 ND1 HIS A 30 7.346 3.427 0.749 1.00 0.00 N ATOM 471 CD2 HIS A 30 7.009 2.978 2.860 1.00 0.00 C ATOM 472 CE1 HIS A 30 7.070 4.570 1.353 1.00 0.00 C ATOM 473 NE2 HIS A 30 6.862 4.325 2.635 1.00 0.00 N ATOM 0 H HIS A 30 8.378 0.145 3.569 1.00 0.00 H new ATOM 0 HA HIS A 30 5.779 0.300 2.265 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.653 0.779 1.411 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.324 0.814 0.270 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.900 2.471 3.807 1.00 0.00 H new ATOM 0 HE1 HIS A 30 7.023 5.539 0.879 1.00 0.00 H new ATOM 0 HE2 HIS A 30 6.630 5.023 3.342 1.00 0.00 H new ATOM 482 N ASN A 31 7.990 -2.067 1.595 1.00 0.00 N ATOM 483 CA ASN A 31 8.144 -3.393 1.009 1.00 0.00 C ATOM 484 C ASN A 31 8.212 -4.463 2.094 1.00 0.00 C ATOM 485 O ASN A 31 9.287 -4.926 2.477 1.00 0.00 O ATOM 486 CB ASN A 31 9.404 -3.447 0.143 1.00 0.00 C ATOM 487 CG ASN A 31 9.528 -2.246 -0.773 1.00 0.00 C ATOM 488 OD1 ASN A 31 8.541 -1.780 -1.342 1.00 0.00 O ATOM 489 ND2 ASN A 31 10.746 -1.738 -0.921 1.00 0.00 N ATOM 0 H ASN A 31 8.829 -1.707 2.050 1.00 0.00 H new ATOM 0 HA ASN A 31 7.273 -3.590 0.384 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.282 -3.502 0.787 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.391 -4.358 -0.456 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.891 -0.930 -1.526 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.536 -2.156 -0.430 1.00 0.00 H new ATOM 496 N PRO A 32 7.039 -4.867 2.602 1.00 0.00 N ATOM 497 CA PRO A 32 6.938 -5.888 3.649 1.00 0.00 C ATOM 498 C PRO A 32 7.307 -7.278 3.142 1.00 0.00 C ATOM 499 O PRO A 32 6.855 -7.701 2.078 1.00 0.00 O ATOM 500 CB PRO A 32 5.461 -5.840 4.051 1.00 0.00 C ATOM 501 CG PRO A 32 4.759 -5.313 2.847 1.00 0.00 C ATOM 502 CD PRO A 32 5.718 -4.358 2.192 1.00 0.00 C ATOM 0 HA PRO A 32 7.625 -5.695 4.473 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.092 -6.829 4.323 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.306 -5.193 4.915 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.489 -6.122 2.168 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.834 -4.808 3.125 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.607 -4.357 1.108 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.559 -3.334 2.530 1.00 0.00 H new ATOM 510 N ASP A 33 8.131 -7.983 3.908 1.00 0.00 N ATOM 511 CA ASP A 33 8.561 -9.326 3.536 1.00 0.00 C ATOM 512 C ASP A 33 7.367 -10.271 3.442 1.00 0.00 C ATOM 513 O ASP A 33 6.269 -9.945 3.891 1.00 0.00 O ATOM 514 CB ASP A 33 9.572 -9.860 4.552 1.00 0.00 C ATOM 515 CG ASP A 33 10.535 -10.859 3.940 1.00 0.00 C ATOM 516 OD1 ASP A 33 11.508 -10.422 3.291 1.00 0.00 O ATOM 517 OD2 ASP A 33 10.315 -12.077 4.109 1.00 0.00 O ATOM 0 H ASP A 33 8.515 -7.647 4.791 1.00 0.00 H new ATOM 0 HA ASP A 33 9.037 -9.272 2.557 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.136 -9.027 4.972 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.039 -10.332 5.377 1.00 0.00 H new ATOM 522 N ALA A 34 7.592 -11.442 2.855 1.00 0.00 N ATOM 523 CA ALA A 34 6.535 -12.434 2.703 1.00 0.00 C ATOM 524 C ALA A 34 5.804 -12.665 4.021 1.00 0.00 C ATOM 525 O ALA A 34 4.574 -12.694 4.065 1.00 0.00 O ATOM 526 CB ALA A 34 7.111 -13.743 2.181 1.00 0.00 C ATOM 0 H ALA A 34 8.496 -11.727 2.477 1.00 0.00 H new ATOM 0 HA ALA A 34 5.814 -12.052 1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.311 -14.475 2.072 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.581 -13.573 1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.854 -14.120 2.884 1.00 0.00 H new ATOM 532 N LYS A 35 6.569 -12.830 5.095 1.00 0.00 N ATOM 533 CA LYS A 35 5.995 -13.058 6.416 1.00 0.00 C ATOM 534 C LYS A 35 5.023 -11.943 6.788 1.00 0.00 C ATOM 535 O LYS A 35 3.917 -12.202 7.262 1.00 0.00 O ATOM 536 CB LYS A 35 7.104 -13.153 7.467 1.00 0.00 C ATOM 537 CG LYS A 35 6.591 -13.120 8.897 1.00 0.00 C ATOM 538 CD LYS A 35 5.774 -14.359 9.225 1.00 0.00 C ATOM 539 CE LYS A 35 6.648 -15.473 9.781 1.00 0.00 C ATOM 540 NZ LYS A 35 7.253 -16.296 8.697 1.00 0.00 N ATOM 0 H LYS A 35 7.589 -12.810 5.076 1.00 0.00 H new ATOM 0 HA LYS A 35 5.447 -14.000 6.388 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.663 -14.076 7.311 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.803 -12.329 7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.433 -13.046 9.585 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.979 -12.230 9.045 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.001 -14.105 9.951 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.265 -14.709 8.327 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.439 -15.042 10.395 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.052 -16.112 10.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.409 -17.265 9.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.611 -16.319 7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.162 -15.880 8.412 1.00 0.00 H new ATOM 554 N ASP A 36 5.442 -10.701 6.566 1.00 0.00 N ATOM 555 CA ASP A 36 4.607 -9.547 6.875 1.00 0.00 C ATOM 556 C ASP A 36 3.340 -9.550 6.026 1.00 0.00 C ATOM 557 O ASP A 36 2.267 -9.165 6.492 1.00 0.00 O ATOM 558 CB ASP A 36 5.387 -8.250 6.645 1.00 0.00 C ATOM 559 CG ASP A 36 6.557 -8.103 7.597 1.00 0.00 C ATOM 560 OD1 ASP A 36 7.633 -8.666 7.307 1.00 0.00 O ATOM 561 OD2 ASP A 36 6.397 -7.423 8.633 1.00 0.00 O ATOM 0 H ASP A 36 6.354 -10.469 6.173 1.00 0.00 H new ATOM 0 HA ASP A 36 4.320 -9.608 7.925 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.752 -8.226 5.618 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.716 -7.400 6.764 1.00 0.00 H new ATOM 566 N LEU A 37 3.471 -9.985 4.778 1.00 0.00 N ATOM 567 CA LEU A 37 2.337 -10.038 3.862 1.00 0.00 C ATOM 568 C LEU A 37 1.272 -11.004 4.369 1.00 0.00 C ATOM 569 O LEU A 37 0.108 -10.635 4.529 1.00 0.00 O ATOM 570 CB LEU A 37 2.801 -10.458 2.467 1.00 0.00 C ATOM 571 CG LEU A 37 3.304 -9.334 1.559 1.00 0.00 C ATOM 572 CD1 LEU A 37 4.084 -9.905 0.386 1.00 0.00 C ATOM 573 CD2 LEU A 37 2.141 -8.487 1.067 1.00 0.00 C ATOM 0 H LEU A 37 4.352 -10.306 4.377 1.00 0.00 H new ATOM 0 HA LEU A 37 1.900 -9.041 3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.598 -11.193 2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.973 -10.959 1.966 1.00 0.00 H new ATOM 0 HG LEU A 37 3.973 -8.696 2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.434 -9.091 -0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.940 -10.469 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.439 -10.565 -0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.517 -7.692 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.447 -9.113 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.624 -8.048 1.920 1.00 0.00 H new ATOM 585 N LYS A 38 1.678 -12.244 4.624 1.00 0.00 N ATOM 586 CA LYS A 38 0.761 -13.263 5.117 1.00 0.00 C ATOM 587 C LYS A 38 0.142 -12.842 6.446 1.00 0.00 C ATOM 588 O LYS A 38 -1.043 -13.073 6.690 1.00 0.00 O ATOM 589 CB LYS A 38 1.492 -14.598 5.283 1.00 0.00 C ATOM 590 CG LYS A 38 2.663 -14.535 6.248 1.00 0.00 C ATOM 591 CD LYS A 38 3.206 -15.920 6.557 1.00 0.00 C ATOM 592 CE LYS A 38 4.203 -16.375 5.502 1.00 0.00 C ATOM 593 NZ LYS A 38 5.000 -17.546 5.962 1.00 0.00 N ATOM 0 H LYS A 38 2.637 -12.567 4.497 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.039 -13.381 4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.784 -15.349 5.633 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.852 -14.929 4.309 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.455 -13.920 5.821 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.348 -14.052 7.173 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.687 -15.914 7.535 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.382 -16.631 6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.671 -16.635 4.587 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.874 -15.552 5.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.885 -17.599 5.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.220 -17.440 6.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.452 -18.418 5.816 1.00 0.00 H new ATOM 607 N GLN A 39 0.950 -12.223 7.301 1.00 0.00 N ATOM 608 CA GLN A 39 0.481 -11.770 8.604 1.00 0.00 C ATOM 609 C GLN A 39 -0.696 -10.810 8.455 1.00 0.00 C ATOM 610 O GLN A 39 -1.697 -10.924 9.165 1.00 0.00 O ATOM 611 CB GLN A 39 1.615 -11.088 9.371 1.00 0.00 C ATOM 612 CG GLN A 39 2.550 -12.063 10.068 1.00 0.00 C ATOM 613 CD GLN A 39 3.171 -11.480 11.322 1.00 0.00 C ATOM 614 OE1 GLN A 39 2.468 -11.008 12.216 1.00 0.00 O ATOM 615 NE2 GLN A 39 4.498 -11.509 11.394 1.00 0.00 N ATOM 0 H GLN A 39 1.933 -12.024 7.114 1.00 0.00 H new ATOM 0 HA GLN A 39 0.147 -12.643 9.165 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.193 -10.475 8.680 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.187 -10.414 10.113 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.999 -12.967 10.327 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.341 -12.358 9.379 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.042 -11.910 10.630 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.973 -11.130 12.214 1.00 0.00 H new ATOM 624 N LEU A 40 -0.569 -9.867 7.530 1.00 0.00 N ATOM 625 CA LEU A 40 -1.623 -8.887 7.287 1.00 0.00 C ATOM 626 C LEU A 40 -2.877 -9.559 6.738 1.00 0.00 C ATOM 627 O LEU A 40 -3.987 -9.297 7.200 1.00 0.00 O ATOM 628 CB LEU A 40 -1.135 -7.815 6.310 1.00 0.00 C ATOM 629 CG LEU A 40 -0.182 -6.767 6.884 1.00 0.00 C ATOM 630 CD1 LEU A 40 0.530 -6.023 5.766 1.00 0.00 C ATOM 631 CD2 LEU A 40 -0.937 -5.793 7.778 1.00 0.00 C ATOM 0 H LEU A 40 0.253 -9.759 6.935 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.873 -8.417 8.238 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.638 -8.311 5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.005 -7.301 5.902 1.00 0.00 H new ATOM 0 HG LEU A 40 0.568 -7.278 7.488 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.204 -5.281 6.194 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.103 -6.730 5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.205 -5.524 5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.243 -5.054 8.178 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.709 -5.289 7.196 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.400 -6.338 8.600 1.00 0.00 H new ATOM 643 N ALA A 41 -2.691 -10.428 5.749 1.00 0.00 N ATOM 644 CA ALA A 41 -3.806 -11.142 5.140 1.00 0.00 C ATOM 645 C ALA A 41 -4.843 -11.538 6.187 1.00 0.00 C ATOM 646 O ALA A 41 -6.033 -11.630 5.890 1.00 0.00 O ATOM 647 CB ALA A 41 -3.304 -12.373 4.401 1.00 0.00 C ATOM 0 H ALA A 41 -1.779 -10.654 5.353 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.286 -10.473 4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.148 -12.897 3.951 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.607 -12.069 3.620 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.797 -13.036 5.102 1.00 0.00 H new ATOM 653 N GLN A 42 -4.381 -11.771 7.411 1.00 0.00 N ATOM 654 CA GLN A 42 -5.269 -12.158 8.501 1.00 0.00 C ATOM 655 C GLN A 42 -5.823 -10.929 9.215 1.00 0.00 C ATOM 656 O GLN A 42 -7.033 -10.793 9.391 1.00 0.00 O ATOM 657 CB GLN A 42 -4.528 -13.051 9.497 1.00 0.00 C ATOM 658 CG GLN A 42 -4.251 -14.450 8.971 1.00 0.00 C ATOM 659 CD GLN A 42 -4.179 -15.486 10.076 1.00 0.00 C ATOM 660 OE1 GLN A 42 -4.218 -15.150 11.260 1.00 0.00 O ATOM 661 NE2 GLN A 42 -4.073 -16.753 9.694 1.00 0.00 N ATOM 0 H GLN A 42 -3.398 -11.699 7.673 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.104 -12.715 8.076 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.583 -12.578 9.763 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.115 -13.126 10.412 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.034 -14.730 8.266 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.311 -14.447 8.419 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.044 -16.986 8.701 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.020 -17.494 10.393 1.00 0.00 H new ATOM 670 N LYS A 43 -4.928 -10.037 9.625 1.00 0.00 N ATOM 671 CA LYS A 43 -5.325 -8.818 10.319 1.00 0.00 C ATOM 672 C LYS A 43 -6.424 -8.089 9.553 1.00 0.00 C ATOM 673 O LYS A 43 -7.293 -7.452 10.149 1.00 0.00 O ATOM 674 CB LYS A 43 -4.119 -7.895 10.505 1.00 0.00 C ATOM 675 CG LYS A 43 -3.173 -8.343 11.605 1.00 0.00 C ATOM 676 CD LYS A 43 -2.163 -7.261 11.948 1.00 0.00 C ATOM 677 CE LYS A 43 -0.955 -7.834 12.672 1.00 0.00 C ATOM 678 NZ LYS A 43 -0.328 -6.836 13.581 1.00 0.00 N ATOM 0 H LYS A 43 -3.922 -10.136 9.489 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.714 -9.098 11.298 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.569 -7.837 9.566 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.473 -6.889 10.730 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.746 -8.602 12.495 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.648 -9.245 11.290 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.838 -6.763 11.035 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.637 -6.504 12.573 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.258 -8.709 13.247 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.220 -8.172 11.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.492 -7.265 14.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.016 -6.012 13.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.021 -6.533 14.294 1.00 0.00 H new ATOM 692 N THR A 44 -6.380 -8.187 8.228 1.00 0.00 N ATOM 693 CA THR A 44 -7.371 -7.537 7.380 1.00 0.00 C ATOM 694 C THR A 44 -8.359 -8.551 6.812 1.00 0.00 C ATOM 695 O THR A 44 -9.523 -8.232 6.575 1.00 0.00 O ATOM 696 CB THR A 44 -6.705 -6.779 6.217 1.00 0.00 C ATOM 697 OG1 THR A 44 -5.981 -7.693 5.386 1.00 0.00 O ATOM 698 CG2 THR A 44 -5.763 -5.704 6.740 1.00 0.00 C ATOM 0 H THR A 44 -5.668 -8.711 7.719 1.00 0.00 H new ATOM 0 HA THR A 44 -7.906 -6.825 8.008 1.00 0.00 H new ATOM 0 HB THR A 44 -7.488 -6.299 5.630 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.254 -8.100 5.903 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.304 -5.182 5.900 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.324 -4.993 7.347 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.985 -6.166 7.348 1.00 0.00 H new ATOM 706 N GLY A 45 -7.885 -9.774 6.596 1.00 0.00 N ATOM 707 CA GLY A 45 -8.740 -10.816 6.059 1.00 0.00 C ATOM 708 C GLY A 45 -8.495 -11.062 4.584 1.00 0.00 C ATOM 709 O GLY A 45 -8.646 -12.185 4.099 1.00 0.00 O ATOM 0 H GLY A 45 -6.924 -10.062 6.783 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.572 -11.740 6.611 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.784 -10.540 6.210 1.00 0.00 H new ATOM 713 N LEU A 46 -8.116 -10.011 3.865 1.00 0.00 N ATOM 714 CA LEU A 46 -7.852 -10.117 2.434 1.00 0.00 C ATOM 715 C LEU A 46 -6.800 -11.186 2.153 1.00 0.00 C ATOM 716 O LEU A 46 -6.135 -11.674 3.067 1.00 0.00 O ATOM 717 CB LEU A 46 -7.387 -8.769 1.880 1.00 0.00 C ATOM 718 CG LEU A 46 -8.264 -7.565 2.220 1.00 0.00 C ATOM 719 CD1 LEU A 46 -7.514 -6.268 1.964 1.00 0.00 C ATOM 720 CD2 LEU A 46 -9.557 -7.602 1.418 1.00 0.00 C ATOM 0 H LEU A 46 -7.985 -9.075 4.250 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.779 -10.406 1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.380 -8.575 2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.319 -8.849 0.795 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.516 -7.612 3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.155 -5.422 2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.618 -6.238 2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.231 -6.213 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.169 -6.737 1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.325 -7.581 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.104 -8.515 1.652 1.00 0.00 H new ATOM 732 N THR A 47 -6.653 -11.544 0.880 1.00 0.00 N ATOM 733 CA THR A 47 -5.682 -12.553 0.479 1.00 0.00 C ATOM 734 C THR A 47 -4.290 -11.950 0.337 1.00 0.00 C ATOM 735 O THR A 47 -4.132 -10.731 0.274 1.00 0.00 O ATOM 736 CB THR A 47 -6.080 -13.216 -0.854 1.00 0.00 C ATOM 737 OG1 THR A 47 -5.895 -12.295 -1.934 1.00 0.00 O ATOM 738 CG2 THR A 47 -7.529 -13.678 -0.816 1.00 0.00 C ATOM 0 H THR A 47 -7.194 -11.150 0.111 1.00 0.00 H new ATOM 0 HA THR A 47 -5.669 -13.309 1.264 1.00 0.00 H new ATOM 0 HB THR A 47 -5.442 -14.086 -1.007 1.00 0.00 H new ATOM 0 HG1 THR A 47 -6.149 -12.725 -2.777 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.788 -14.143 -1.767 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.659 -14.402 -0.011 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.180 -12.821 -0.642 1.00 0.00 H new ATOM 746 N LYS A 48 -3.279 -12.812 0.286 1.00 0.00 N ATOM 747 CA LYS A 48 -1.898 -12.366 0.149 1.00 0.00 C ATOM 748 C LYS A 48 -1.729 -11.489 -1.087 1.00 0.00 C ATOM 749 O LYS A 48 -1.228 -10.368 -1.001 1.00 0.00 O ATOM 750 CB LYS A 48 -0.956 -13.569 0.066 1.00 0.00 C ATOM 751 CG LYS A 48 0.429 -13.297 0.627 1.00 0.00 C ATOM 752 CD LYS A 48 1.243 -14.575 0.744 1.00 0.00 C ATOM 753 CE LYS A 48 2.035 -14.850 -0.525 1.00 0.00 C ATOM 754 NZ LYS A 48 2.764 -16.146 -0.455 1.00 0.00 N ATOM 0 H LYS A 48 -3.391 -13.824 0.338 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.646 -11.775 1.030 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.400 -14.405 0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.863 -13.876 -0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.951 -12.589 -0.017 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.340 -12.830 1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.926 -14.497 1.590 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.578 -15.414 0.948 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.359 -14.860 -1.380 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.747 -14.042 -0.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.291 -16.296 -1.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.428 -16.128 0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.083 -16.921 -0.322 1.00 0.00 H new ATOM 768 N ARG A 49 -2.152 -12.006 -2.236 1.00 0.00 N ATOM 769 CA ARG A 49 -2.048 -11.270 -3.490 1.00 0.00 C ATOM 770 C ARG A 49 -2.669 -9.882 -3.358 1.00 0.00 C ATOM 771 O ARG A 49 -2.037 -8.875 -3.680 1.00 0.00 O ATOM 772 CB ARG A 49 -2.735 -12.041 -4.618 1.00 0.00 C ATOM 773 CG ARG A 49 -2.611 -11.373 -5.978 1.00 0.00 C ATOM 774 CD ARG A 49 -1.222 -11.566 -6.568 1.00 0.00 C ATOM 775 NE ARG A 49 -1.080 -12.864 -7.220 1.00 0.00 N ATOM 776 CZ ARG A 49 0.078 -13.344 -7.658 1.00 0.00 C ATOM 777 NH1 ARG A 49 1.190 -12.635 -7.514 1.00 0.00 N ATOM 778 NH2 ARG A 49 0.128 -14.535 -8.241 1.00 0.00 N ATOM 0 H ARG A 49 -2.570 -12.932 -2.324 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.990 -11.156 -3.728 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.308 -13.042 -4.674 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.791 -12.158 -4.375 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.357 -11.786 -6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.822 -10.308 -5.882 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.021 -10.774 -7.290 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.477 -11.474 -5.778 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.916 -13.434 -7.346 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.157 -11.719 -7.066 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.078 -13.006 -7.851 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.724 -15.084 -8.354 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.019 -14.902 -8.577 1.00 0.00 H new ATOM 792 N VAL A 50 -3.910 -9.836 -2.884 1.00 0.00 N ATOM 793 CA VAL A 50 -4.616 -8.573 -2.709 1.00 0.00 C ATOM 794 C VAL A 50 -3.739 -7.547 -1.999 1.00 0.00 C ATOM 795 O VAL A 50 -3.734 -6.367 -2.354 1.00 0.00 O ATOM 796 CB VAL A 50 -5.917 -8.763 -1.907 1.00 0.00 C ATOM 797 CG1 VAL A 50 -6.529 -7.416 -1.556 1.00 0.00 C ATOM 798 CG2 VAL A 50 -6.903 -9.619 -2.687 1.00 0.00 C ATOM 0 H VAL A 50 -4.447 -10.660 -2.614 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.863 -8.208 -3.706 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.678 -9.280 -0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.447 -7.570 -0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.824 -6.842 -0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.755 -6.869 -2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.817 -9.743 -2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.138 -9.132 -3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.462 -10.596 -2.882 1.00 0.00 H new ATOM 808 N LEU A 51 -2.998 -8.004 -0.996 1.00 0.00 N ATOM 809 CA LEU A 51 -2.115 -7.126 -0.235 1.00 0.00 C ATOM 810 C LEU A 51 -0.937 -6.666 -1.088 1.00 0.00 C ATOM 811 O LEU A 51 -0.656 -5.472 -1.182 1.00 0.00 O ATOM 812 CB LEU A 51 -1.604 -7.843 1.016 1.00 0.00 C ATOM 813 CG LEU A 51 -2.675 -8.435 1.933 1.00 0.00 C ATOM 814 CD1 LEU A 51 -2.070 -9.491 2.846 1.00 0.00 C ATOM 815 CD2 LEU A 51 -3.341 -7.339 2.752 1.00 0.00 C ATOM 0 H LEU A 51 -2.991 -8.977 -0.690 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.687 -6.248 0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.937 -8.646 0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.006 -7.139 1.595 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.435 -8.911 1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.846 -9.902 3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.640 -10.290 2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.290 -9.039 3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.100 -7.779 3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.592 -6.835 3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.809 -6.617 2.082 1.00 0.00 H new ATOM 827 N GLN A 52 -0.254 -7.622 -1.710 1.00 0.00 N ATOM 828 CA GLN A 52 0.892 -7.314 -2.557 1.00 0.00 C ATOM 829 C GLN A 52 0.564 -6.184 -3.526 1.00 0.00 C ATOM 830 O GLN A 52 1.225 -5.145 -3.531 1.00 0.00 O ATOM 831 CB GLN A 52 1.328 -8.559 -3.333 1.00 0.00 C ATOM 832 CG GLN A 52 1.845 -9.679 -2.446 1.00 0.00 C ATOM 833 CD GLN A 52 2.157 -10.942 -3.223 1.00 0.00 C ATOM 834 OE1 GLN A 52 3.186 -11.034 -3.893 1.00 0.00 O ATOM 835 NE2 GLN A 52 1.269 -11.926 -3.136 1.00 0.00 N ATOM 0 H GLN A 52 -0.474 -8.616 -1.643 1.00 0.00 H new ATOM 0 HA GLN A 52 1.711 -6.990 -1.915 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.484 -8.928 -3.915 1.00 0.00 H new ATOM 0 HB3 GLN A 52 2.107 -8.280 -4.043 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.744 -9.343 -1.930 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.103 -9.902 -1.680 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.430 -11.807 -2.569 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.427 -12.801 -3.636 1.00 0.00 H new ATOM 844 N VAL A 53 -0.460 -6.395 -4.349 1.00 0.00 N ATOM 845 CA VAL A 53 -0.875 -5.393 -5.322 1.00 0.00 C ATOM 846 C VAL A 53 -1.153 -4.053 -4.650 1.00 0.00 C ATOM 847 O VAL A 53 -0.571 -3.032 -5.014 1.00 0.00 O ATOM 848 CB VAL A 53 -2.135 -5.842 -6.087 1.00 0.00 C ATOM 849 CG1 VAL A 53 -2.527 -4.804 -7.128 1.00 0.00 C ATOM 850 CG2 VAL A 53 -1.909 -7.200 -6.733 1.00 0.00 C ATOM 0 H VAL A 53 -1.016 -7.250 -4.360 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.052 -5.278 -6.027 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.957 -5.935 -5.377 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.419 -5.139 -7.658 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.733 -3.854 -6.635 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.710 -4.674 -7.838 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.809 -7.502 -7.269 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.075 -7.136 -7.431 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.682 -7.936 -5.962 1.00 0.00 H new ATOM 860 N TRP A 54 -2.046 -4.066 -3.667 1.00 0.00 N ATOM 861 CA TRP A 54 -2.401 -2.851 -2.941 1.00 0.00 C ATOM 862 C TRP A 54 -1.153 -2.069 -2.545 1.00 0.00 C ATOM 863 O TRP A 54 -0.978 -0.917 -2.942 1.00 0.00 O ATOM 864 CB TRP A 54 -3.218 -3.196 -1.696 1.00 0.00 C ATOM 865 CG TRP A 54 -3.627 -1.993 -0.901 1.00 0.00 C ATOM 866 CD1 TRP A 54 -4.774 -1.266 -1.046 1.00 0.00 C ATOM 867 CD2 TRP A 54 -2.891 -1.377 0.162 1.00 0.00 C ATOM 868 NE1 TRP A 54 -4.794 -0.234 -0.138 1.00 0.00 N ATOM 869 CE2 TRP A 54 -3.650 -0.281 0.615 1.00 0.00 C ATOM 870 CE3 TRP A 54 -1.665 -1.646 0.776 1.00 0.00 C ATOM 871 CZ2 TRP A 54 -3.222 0.543 1.652 1.00 0.00 C ATOM 872 CZ3 TRP A 54 -1.240 -0.826 1.803 1.00 0.00 C ATOM 873 CH2 TRP A 54 -2.018 0.257 2.234 1.00 0.00 C ATOM 0 H TRP A 54 -2.537 -4.903 -3.354 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.004 -2.227 -3.601 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.111 -3.744 -1.997 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.634 -3.861 -1.060 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.551 -1.472 -1.768 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.540 0.455 -0.041 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.060 -2.481 0.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.820 1.379 1.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.292 -1.023 2.282 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.660 0.878 3.042 1.00 0.00 H new ATOM 884 N PHE A 55 -0.287 -2.702 -1.761 1.00 0.00 N ATOM 885 CA PHE A 55 0.944 -2.065 -1.310 1.00 0.00 C ATOM 886 C PHE A 55 1.735 -1.513 -2.492 1.00 0.00 C ATOM 887 O PHE A 55 2.225 -0.384 -2.452 1.00 0.00 O ATOM 888 CB PHE A 55 1.803 -3.061 -0.528 1.00 0.00 C ATOM 889 CG PHE A 55 1.513 -3.076 0.945 1.00 0.00 C ATOM 890 CD1 PHE A 55 2.082 -2.132 1.785 1.00 0.00 C ATOM 891 CD2 PHE A 55 0.673 -4.032 1.490 1.00 0.00 C ATOM 892 CE1 PHE A 55 1.818 -2.143 3.142 1.00 0.00 C ATOM 893 CE2 PHE A 55 0.405 -4.048 2.847 1.00 0.00 C ATOM 894 CZ PHE A 55 0.977 -3.102 3.673 1.00 0.00 C ATOM 0 H PHE A 55 -0.415 -3.656 -1.425 1.00 0.00 H new ATOM 0 HA PHE A 55 0.675 -1.236 -0.656 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.644 -4.061 -0.932 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.855 -2.819 -0.681 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.739 -1.379 1.375 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.222 -4.774 0.848 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.269 -1.403 3.786 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.251 -4.800 3.260 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.768 -3.111 4.732 1.00 0.00 H new ATOM 904 N GLN A 56 1.855 -2.317 -3.544 1.00 0.00 N ATOM 905 CA GLN A 56 2.587 -1.910 -4.737 1.00 0.00 C ATOM 906 C GLN A 56 1.975 -0.655 -5.349 1.00 0.00 C ATOM 907 O GLN A 56 2.686 0.214 -5.853 1.00 0.00 O ATOM 908 CB GLN A 56 2.597 -3.041 -5.766 1.00 0.00 C ATOM 909 CG GLN A 56 3.581 -4.153 -5.439 1.00 0.00 C ATOM 910 CD GLN A 56 3.911 -5.013 -6.642 1.00 0.00 C ATOM 911 OE1 GLN A 56 4.136 -4.505 -7.740 1.00 0.00 O ATOM 912 NE2 GLN A 56 3.941 -6.326 -6.441 1.00 0.00 N ATOM 0 H GLN A 56 1.455 -3.254 -3.594 1.00 0.00 H new ATOM 0 HA GLN A 56 3.613 -1.686 -4.444 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.595 -3.464 -5.839 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.840 -2.628 -6.745 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.499 -3.716 -5.047 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.165 -4.781 -4.651 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.748 -6.705 -5.514 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.157 -6.955 -7.214 1.00 0.00 H new ATOM 921 N ASN A 57 0.649 -0.567 -5.303 1.00 0.00 N ATOM 922 CA ASN A 57 -0.060 0.583 -5.855 1.00 0.00 C ATOM 923 C ASN A 57 0.105 1.805 -4.959 1.00 0.00 C ATOM 924 O ASN A 57 -0.180 2.931 -5.368 1.00 0.00 O ATOM 925 CB ASN A 57 -1.546 0.258 -6.026 1.00 0.00 C ATOM 926 CG ASN A 57 -1.849 -0.375 -7.370 1.00 0.00 C ATOM 927 OD1 ASN A 57 -1.874 0.303 -8.397 1.00 0.00 O ATOM 928 ND2 ASN A 57 -2.081 -1.684 -7.369 1.00 0.00 N ATOM 0 H ASN A 57 0.044 -1.277 -4.890 1.00 0.00 H new ATOM 0 HA ASN A 57 0.370 0.810 -6.831 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.861 -0.417 -5.230 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.130 1.172 -5.918 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.290 -2.166 -8.244 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.050 -2.207 -6.494 1.00 0.00 H new ATOM 935 N ALA A 58 0.567 1.576 -3.734 1.00 0.00 N ATOM 936 CA ALA A 58 0.773 2.659 -2.779 1.00 0.00 C ATOM 937 C ALA A 58 2.024 3.460 -3.120 1.00 0.00 C ATOM 938 O ALA A 58 1.958 4.668 -3.344 1.00 0.00 O ATOM 939 CB ALA A 58 0.865 2.106 -1.365 1.00 0.00 C ATOM 0 H ALA A 58 0.806 0.650 -3.379 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.083 3.331 -2.838 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.019 2.926 -0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.060 1.585 -1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.702 1.411 -1.300 1.00 0.00 H new ATOM 945 N ARG A 59 3.166 2.779 -3.155 1.00 0.00 N ATOM 946 CA ARG A 59 4.434 3.428 -3.466 1.00 0.00 C ATOM 947 C ARG A 59 4.273 4.407 -4.626 1.00 0.00 C ATOM 948 O ARG A 59 5.040 5.361 -4.757 1.00 0.00 O ATOM 949 CB ARG A 59 5.495 2.383 -3.811 1.00 0.00 C ATOM 950 CG ARG A 59 5.966 1.574 -2.613 1.00 0.00 C ATOM 951 CD ARG A 59 7.191 0.739 -2.950 1.00 0.00 C ATOM 952 NE ARG A 59 6.830 -0.560 -3.513 1.00 0.00 N ATOM 953 CZ ARG A 59 6.523 -0.746 -4.793 1.00 0.00 C ATOM 954 NH1 ARG A 59 6.532 0.277 -5.636 1.00 0.00 N ATOM 955 NH2 ARG A 59 6.205 -1.957 -5.229 1.00 0.00 N ATOM 0 H ARG A 59 3.238 1.778 -2.972 1.00 0.00 H new ATOM 0 HA ARG A 59 4.755 3.984 -2.585 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.093 1.703 -4.562 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.353 2.883 -4.261 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.199 2.247 -1.788 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.161 0.921 -2.275 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.815 1.281 -3.660 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.788 0.591 -2.050 1.00 0.00 H new ATOM 0 HE ARG A 59 6.813 -1.368 -2.890 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.775 1.210 -5.303 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.296 0.131 -6.618 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.196 -2.746 -4.582 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.969 -2.100 -6.211 1.00 0.00 H new