USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=11 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 25 TYR OH : rot 180:sc= -0.605 USER MOD Set 1.2: A 29 ASN : amide:sc= -0.979 K(o=-1.6,f=-2.2!) USER MOD Single : A 15 LYS NZ :NH3+ 151:sc= -1.05 (180deg=-2.06!) USER MOD Single : A 16 HIS : no HD1:sc=-0.00914 X(o=-0.0091,f=-0.069) USER MOD Single : A 17 HIS : no HD1:sc= -0.498 X(o=-0.5,f=-0.019) USER MOD Single : A 18 GLN : amide:sc= -2.58! X(o=-2.6!,f=-2.3) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -151:sc= 0 (180deg=-0.796) USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= -1.48 (180deg=-2.32!) USER MOD Single : A 24 SER OG : rot 102:sc= 0.137 USER MOD Single : A 30 HIS : no HD1:sc= -0.801 K(o=-0.8,f=-0.048) USER MOD Single : A 31 ASN : amide:sc= -0.205 K(o=-0.21,f=0.52) USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0121) USER MOD Single : A 38 LYS NZ :NH3+ -143:sc= -1.03 (180deg=-3.21!) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 42 GLN : amide:sc= -0.0954 K(o=-0.095,f=-1.5!) USER MOD Single : A 43 LYS NZ :NH3+ 135:sc= -3.17! (180deg=-4.81!) USER MOD Single : A 44 THR OG1 : rot -69:sc= 1.21 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -5.32! C(o=-5.3!,f=-3!) USER MOD Single : A 56 GLN : amide:sc= -1.73 K(o=-1.7,f=-6.5!) USER MOD Single : A 57 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 178 N PHE A 14 -12.056 -1.468 -0.674 1.00 0.00 N ATOM 179 CA PHE A 14 -11.510 -1.851 0.624 1.00 0.00 C ATOM 180 C PHE A 14 -12.240 -1.131 1.755 1.00 0.00 C ATOM 181 O PHE A 14 -12.663 0.014 1.606 1.00 0.00 O ATOM 182 CB PHE A 14 -10.014 -1.536 0.685 1.00 0.00 C ATOM 183 CG PHE A 14 -9.242 -2.067 -0.488 1.00 0.00 C ATOM 184 CD1 PHE A 14 -9.062 -3.431 -0.657 1.00 0.00 C ATOM 185 CD2 PHE A 14 -8.693 -1.203 -1.422 1.00 0.00 C ATOM 186 CE1 PHE A 14 -8.352 -3.924 -1.736 1.00 0.00 C ATOM 187 CE2 PHE A 14 -7.981 -1.689 -2.503 1.00 0.00 C ATOM 188 CZ PHE A 14 -7.811 -3.051 -2.659 1.00 0.00 C ATOM 0 HA PHE A 14 -11.653 -2.924 0.748 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.880 -0.456 0.739 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.600 -1.955 1.602 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.482 -4.117 0.063 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.823 -0.137 -1.304 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.221 -4.989 -1.857 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.559 -1.005 -3.224 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.255 -3.433 -3.503 1.00 0.00 H new ATOM 198 N LYS A 15 -12.385 -1.815 2.885 1.00 0.00 N ATOM 199 CA LYS A 15 -13.062 -1.243 4.043 1.00 0.00 C ATOM 200 C LYS A 15 -12.106 -0.381 4.862 1.00 0.00 C ATOM 201 O LYS A 15 -10.894 -0.598 4.850 1.00 0.00 O ATOM 202 CB LYS A 15 -13.643 -2.354 4.920 1.00 0.00 C ATOM 203 CG LYS A 15 -14.428 -3.395 4.142 1.00 0.00 C ATOM 204 CD LYS A 15 -15.851 -2.935 3.874 1.00 0.00 C ATOM 205 CE LYS A 15 -16.781 -3.303 5.020 1.00 0.00 C ATOM 206 NZ LYS A 15 -16.542 -2.458 6.222 1.00 0.00 N ATOM 0 H LYS A 15 -12.043 -2.766 3.024 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.874 -0.611 3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.830 -2.847 5.453 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.293 -1.909 5.673 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.926 -3.598 3.196 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.446 -4.331 4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.864 -1.855 3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.213 -3.387 2.951 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.816 -3.191 4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.640 -4.352 5.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.426 -2.365 6.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.816 -2.902 6.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.217 -1.516 5.925 1.00 0.00 H new ATOM 220 N HIS A 16 -12.659 0.597 5.574 1.00 0.00 N ATOM 221 CA HIS A 16 -11.855 1.489 6.400 1.00 0.00 C ATOM 222 C HIS A 16 -11.269 0.743 7.594 1.00 0.00 C ATOM 223 O HIS A 16 -10.345 1.227 8.250 1.00 0.00 O ATOM 224 CB HIS A 16 -12.700 2.668 6.885 1.00 0.00 C ATOM 225 CG HIS A 16 -13.685 2.300 7.951 1.00 0.00 C ATOM 226 ND1 HIS A 16 -14.920 1.751 7.677 1.00 0.00 N ATOM 227 CD2 HIS A 16 -13.612 2.403 9.298 1.00 0.00 C ATOM 228 CE1 HIS A 16 -15.564 1.534 8.811 1.00 0.00 C ATOM 229 NE2 HIS A 16 -14.792 1.921 9.809 1.00 0.00 N ATOM 0 H HIS A 16 -13.660 0.791 5.595 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.033 1.866 5.791 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -12.039 3.446 7.266 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.237 3.093 6.037 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -12.780 2.792 9.866 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -16.554 1.112 8.905 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -15.033 1.870 10.799 1.00 0.00 H new ATOM 238 N HIS A 17 -11.811 -0.438 7.872 1.00 0.00 N ATOM 239 CA HIS A 17 -11.342 -1.252 8.989 1.00 0.00 C ATOM 240 C HIS A 17 -10.066 -2.001 8.615 1.00 0.00 C ATOM 241 O HIS A 17 -9.013 -1.789 9.216 1.00 0.00 O ATOM 242 CB HIS A 17 -12.424 -2.245 9.414 1.00 0.00 C ATOM 243 CG HIS A 17 -11.899 -3.392 10.222 1.00 0.00 C ATOM 244 ND1 HIS A 17 -11.833 -3.374 11.599 1.00 0.00 N ATOM 245 CD2 HIS A 17 -11.416 -4.597 9.839 1.00 0.00 C ATOM 246 CE1 HIS A 17 -11.331 -4.517 12.029 1.00 0.00 C ATOM 247 NE2 HIS A 17 -11.070 -5.277 10.981 1.00 0.00 N ATOM 0 H HIS A 17 -12.575 -0.853 7.340 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.122 -0.587 9.824 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -13.181 -1.718 9.995 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -12.918 -2.634 8.524 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -11.321 -4.957 8.825 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -11.163 -4.785 13.062 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -10.675 -6.217 11.014 1.00 0.00 H new ATOM 256 N GLN A 18 -10.169 -2.878 7.622 1.00 0.00 N ATOM 257 CA GLN A 18 -9.023 -3.659 7.170 1.00 0.00 C ATOM 258 C GLN A 18 -7.889 -2.748 6.713 1.00 0.00 C ATOM 259 O GLN A 18 -6.722 -2.987 7.026 1.00 0.00 O ATOM 260 CB GLN A 18 -9.433 -4.594 6.031 1.00 0.00 C ATOM 261 CG GLN A 18 -10.545 -4.036 5.157 1.00 0.00 C ATOM 262 CD GLN A 18 -10.462 -4.526 3.725 1.00 0.00 C ATOM 263 OE1 GLN A 18 -11.063 -5.540 3.368 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.716 -3.805 2.895 1.00 0.00 N ATOM 0 H GLN A 18 -11.034 -3.066 7.115 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.668 -4.256 8.010 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.562 -4.800 5.409 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.756 -5.546 6.452 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.510 -4.318 5.578 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.499 -2.947 5.168 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.236 -2.972 3.234 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.624 -4.085 1.918 1.00 0.00 H new ATOM 273 N LEU A 19 -8.239 -1.703 5.973 1.00 0.00 N ATOM 274 CA LEU A 19 -7.249 -0.754 5.471 1.00 0.00 C ATOM 275 C LEU A 19 -6.513 -0.077 6.623 1.00 0.00 C ATOM 276 O LEU A 19 -5.284 -0.006 6.630 1.00 0.00 O ATOM 277 CB LEU A 19 -7.924 0.300 4.593 1.00 0.00 C ATOM 278 CG LEU A 19 -8.049 -0.044 3.108 1.00 0.00 C ATOM 279 CD1 LEU A 19 -8.911 0.984 2.392 1.00 0.00 C ATOM 280 CD2 LEU A 19 -6.672 -0.129 2.464 1.00 0.00 C ATOM 0 H LEU A 19 -9.200 -1.490 5.706 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.523 -1.305 4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.923 0.487 4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.366 1.232 4.684 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.532 -1.017 3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.988 0.722 1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.906 0.997 2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.457 1.970 2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.779 -0.375 1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.164 0.830 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.086 -0.903 2.959 1.00 0.00 H new ATOM 292 N ARG A 20 -7.273 0.418 7.595 1.00 0.00 N ATOM 293 CA ARG A 20 -6.691 1.089 8.751 1.00 0.00 C ATOM 294 C ARG A 20 -5.465 0.335 9.257 1.00 0.00 C ATOM 295 O ARG A 20 -4.549 0.929 9.828 1.00 0.00 O ATOM 296 CB ARG A 20 -7.727 1.210 9.870 1.00 0.00 C ATOM 297 CG ARG A 20 -7.221 1.962 11.090 1.00 0.00 C ATOM 298 CD ARG A 20 -7.204 3.464 10.851 1.00 0.00 C ATOM 299 NE ARG A 20 -7.038 4.214 12.093 1.00 0.00 N ATOM 300 CZ ARG A 20 -6.826 5.524 12.137 1.00 0.00 C ATOM 301 NH1 ARG A 20 -6.752 6.226 11.015 1.00 0.00 N ATOM 302 NH2 ARG A 20 -6.686 6.136 13.308 1.00 0.00 N ATOM 0 H ARG A 20 -8.292 0.367 7.605 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.380 2.087 8.443 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.611 1.717 9.482 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.040 0.211 10.173 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.855 1.736 11.947 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.216 1.621 11.338 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.393 3.713 10.166 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.133 3.765 10.367 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.088 3.704 12.975 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.858 5.760 10.114 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.589 7.232 11.053 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.741 5.599 14.174 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.523 7.142 13.341 1.00 0.00 H new ATOM 316 N THR A 21 -5.454 -0.978 9.046 1.00 0.00 N ATOM 317 CA THR A 21 -4.342 -1.812 9.482 1.00 0.00 C ATOM 318 C THR A 21 -3.206 -1.790 8.466 1.00 0.00 C ATOM 319 O THR A 21 -2.033 -1.855 8.831 1.00 0.00 O ATOM 320 CB THR A 21 -4.788 -3.270 9.704 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.715 -3.339 10.793 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.591 -4.164 9.993 1.00 0.00 C ATOM 0 H THR A 21 -6.203 -1.486 8.576 1.00 0.00 H new ATOM 0 HA THR A 21 -3.989 -1.399 10.427 1.00 0.00 H new ATOM 0 HB THR A 21 -5.272 -3.621 8.793 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.995 -4.269 10.926 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.931 -5.188 10.146 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.901 -4.133 9.149 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.082 -3.812 10.891 1.00 0.00 H new ATOM 330 N MET A 22 -3.562 -1.697 7.189 1.00 0.00 N ATOM 331 CA MET A 22 -2.570 -1.664 6.120 1.00 0.00 C ATOM 332 C MET A 22 -1.978 -0.266 5.972 1.00 0.00 C ATOM 333 O MET A 22 -0.762 -0.087 6.036 1.00 0.00 O ATOM 334 CB MET A 22 -3.200 -2.107 4.798 1.00 0.00 C ATOM 335 CG MET A 22 -3.298 -3.616 4.646 1.00 0.00 C ATOM 336 SD MET A 22 -3.255 -4.146 2.923 1.00 0.00 S ATOM 337 CE MET A 22 -4.821 -3.508 2.334 1.00 0.00 C ATOM 0 H MET A 22 -4.529 -1.643 6.869 1.00 0.00 H new ATOM 0 HA MET A 22 -1.767 -2.354 6.380 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.198 -1.677 4.719 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.613 -1.704 3.973 1.00 0.00 H new ATOM 0 HG2 MET A 22 -2.476 -4.086 5.187 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.223 -3.964 5.106 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.188 -4.137 1.523 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.544 -3.509 3.150 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.685 -2.489 1.970 1.00 0.00 H new ATOM 347 N LYS A 23 -2.844 0.721 5.773 1.00 0.00 N ATOM 348 CA LYS A 23 -2.407 2.103 5.617 1.00 0.00 C ATOM 349 C LYS A 23 -1.362 2.465 6.667 1.00 0.00 C ATOM 350 O LYS A 23 -0.313 3.024 6.345 1.00 0.00 O ATOM 351 CB LYS A 23 -3.602 3.053 5.724 1.00 0.00 C ATOM 352 CG LYS A 23 -4.691 2.778 4.699 1.00 0.00 C ATOM 353 CD LYS A 23 -5.750 3.867 4.705 1.00 0.00 C ATOM 354 CE LYS A 23 -5.375 5.012 3.776 1.00 0.00 C ATOM 355 NZ LYS A 23 -4.123 5.692 4.209 1.00 0.00 N ATOM 0 H LYS A 23 -3.854 0.590 5.716 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.956 2.205 4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.028 2.976 6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.252 4.078 5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.247 2.706 3.706 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.156 1.815 4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.708 3.447 4.398 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.878 4.246 5.719 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.249 4.631 2.763 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.189 5.736 3.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.045 6.612 3.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.145 5.837 5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.304 5.102 3.960 1.00 0.00 H new ATOM 369 N SER A 24 -1.655 2.143 7.923 1.00 0.00 N ATOM 370 CA SER A 24 -0.741 2.437 9.021 1.00 0.00 C ATOM 371 C SER A 24 0.609 1.762 8.799 1.00 0.00 C ATOM 372 O SER A 24 1.652 2.295 9.178 1.00 0.00 O ATOM 373 CB SER A 24 -1.342 1.977 10.350 1.00 0.00 C ATOM 374 OG SER A 24 -2.340 2.878 10.798 1.00 0.00 O ATOM 0 H SER A 24 -2.518 1.679 8.206 1.00 0.00 H new ATOM 0 HA SER A 24 -0.587 3.516 9.054 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.772 0.982 10.233 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.555 1.898 11.100 1.00 0.00 H new ATOM 0 HG SER A 24 -3.226 2.504 10.610 1.00 0.00 H new ATOM 380 N TYR A 25 0.580 0.585 8.183 1.00 0.00 N ATOM 381 CA TYR A 25 1.800 -0.165 7.913 1.00 0.00 C ATOM 382 C TYR A 25 2.600 0.481 6.785 1.00 0.00 C ATOM 383 O TYR A 25 3.827 0.564 6.847 1.00 0.00 O ATOM 384 CB TYR A 25 1.464 -1.613 7.549 1.00 0.00 C ATOM 385 CG TYR A 25 2.677 -2.508 7.439 1.00 0.00 C ATOM 386 CD1 TYR A 25 3.474 -2.495 6.301 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.028 -3.365 8.475 1.00 0.00 C ATOM 388 CE1 TYR A 25 4.584 -3.312 6.197 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.136 -4.184 8.380 1.00 0.00 C ATOM 390 CZ TYR A 25 4.911 -4.155 7.239 1.00 0.00 C ATOM 391 OH TYR A 25 6.015 -4.968 7.139 1.00 0.00 O ATOM 0 H TYR A 25 -0.275 0.131 7.862 1.00 0.00 H new ATOM 0 HA TYR A 25 2.408 -0.156 8.817 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.790 -2.021 8.302 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.927 -1.625 6.600 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.222 -1.835 5.484 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.424 -3.391 9.370 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.192 -3.291 5.305 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.394 -4.844 9.195 1.00 0.00 H new ATOM 0 HH TYR A 25 6.106 -5.499 7.958 1.00 0.00 H new ATOM 401 N PHE A 26 1.895 0.940 5.756 1.00 0.00 N ATOM 402 CA PHE A 26 2.537 1.579 4.614 1.00 0.00 C ATOM 403 C PHE A 26 3.562 2.611 5.075 1.00 0.00 C ATOM 404 O PHE A 26 4.556 2.861 4.393 1.00 0.00 O ATOM 405 CB PHE A 26 1.489 2.247 3.721 1.00 0.00 C ATOM 406 CG PHE A 26 2.082 3.038 2.591 1.00 0.00 C ATOM 407 CD1 PHE A 26 3.023 2.471 1.748 1.00 0.00 C ATOM 408 CD2 PHE A 26 1.697 4.352 2.371 1.00 0.00 C ATOM 409 CE1 PHE A 26 3.571 3.196 0.707 1.00 0.00 C ATOM 410 CE2 PHE A 26 2.240 5.082 1.332 1.00 0.00 C ATOM 411 CZ PHE A 26 3.179 4.505 0.499 1.00 0.00 C ATOM 0 H PHE A 26 0.879 0.881 5.690 1.00 0.00 H new ATOM 0 HA PHE A 26 3.054 0.809 4.041 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.831 1.481 3.312 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.871 2.906 4.330 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.333 1.449 1.906 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.964 4.810 3.019 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.304 2.741 0.057 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.931 6.104 1.171 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.606 5.075 -0.313 1.00 0.00 H new ATOM 421 N ALA A 27 3.311 3.210 6.235 1.00 0.00 N ATOM 422 CA ALA A 27 4.211 4.213 6.786 1.00 0.00 C ATOM 423 C ALA A 27 5.378 3.560 7.520 1.00 0.00 C ATOM 424 O ALA A 27 6.479 4.110 7.567 1.00 0.00 O ATOM 425 CB ALA A 27 3.453 5.145 7.721 1.00 0.00 C ATOM 0 H ALA A 27 2.491 3.017 6.810 1.00 0.00 H new ATOM 0 HA ALA A 27 4.616 4.796 5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.138 5.890 8.126 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.657 5.645 7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.020 4.568 8.538 1.00 0.00 H new ATOM 431 N ILE A 28 5.131 2.386 8.090 1.00 0.00 N ATOM 432 CA ILE A 28 6.162 1.660 8.820 1.00 0.00 C ATOM 433 C ILE A 28 7.144 0.993 7.865 1.00 0.00 C ATOM 434 O ILE A 28 8.358 1.144 8.002 1.00 0.00 O ATOM 435 CB ILE A 28 5.549 0.586 9.740 1.00 0.00 C ATOM 436 CG1 ILE A 28 4.477 1.206 10.638 1.00 0.00 C ATOM 437 CG2 ILE A 28 6.633 -0.074 10.578 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.598 0.182 11.324 1.00 0.00 C ATOM 0 H ILE A 28 4.226 1.917 8.060 1.00 0.00 H new ATOM 0 HA ILE A 28 6.692 2.391 9.430 1.00 0.00 H new ATOM 0 HB ILE A 28 5.080 -0.179 9.121 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.961 1.823 11.395 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.851 1.868 10.039 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.185 -0.830 11.223 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.365 -0.545 9.921 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.128 0.679 11.192 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.861 0.692 11.944 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.086 -0.420 10.573 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.213 -0.465 11.950 1.00 0.00 H new ATOM 450 N ASN A 29 6.613 0.255 6.895 1.00 0.00 N ATOM 451 CA ASN A 29 7.444 -0.434 5.915 1.00 0.00 C ATOM 452 C ASN A 29 6.791 -0.412 4.536 1.00 0.00 C ATOM 453 O ASN A 29 5.634 -0.805 4.379 1.00 0.00 O ATOM 454 CB ASN A 29 7.691 -1.879 6.351 1.00 0.00 C ATOM 455 CG ASN A 29 8.874 -2.505 5.637 1.00 0.00 C ATOM 456 OD1 ASN A 29 9.810 -1.812 5.240 1.00 0.00 O ATOM 457 ND2 ASN A 29 8.836 -3.822 5.471 1.00 0.00 N ATOM 0 H ASN A 29 5.610 0.119 6.767 1.00 0.00 H new ATOM 0 HA ASN A 29 8.399 0.089 5.854 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.864 -1.906 7.427 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.797 -2.472 6.156 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.604 -4.299 4.998 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.039 -4.357 5.817 1.00 0.00 H new ATOM 464 N HIS A 30 7.540 0.049 3.540 1.00 0.00 N ATOM 465 CA HIS A 30 7.035 0.121 2.174 1.00 0.00 C ATOM 466 C HIS A 30 7.151 -1.232 1.479 1.00 0.00 C ATOM 467 O HIS A 30 6.224 -1.674 0.801 1.00 0.00 O ATOM 468 CB HIS A 30 7.798 1.182 1.380 1.00 0.00 C ATOM 469 CG HIS A 30 7.243 2.565 1.540 1.00 0.00 C ATOM 470 ND1 HIS A 30 7.076 3.435 0.484 1.00 0.00 N ATOM 471 CD2 HIS A 30 6.814 3.224 2.640 1.00 0.00 C ATOM 472 CE1 HIS A 30 6.570 4.572 0.928 1.00 0.00 C ATOM 473 NE2 HIS A 30 6.401 4.469 2.234 1.00 0.00 N ATOM 0 H HIS A 30 8.499 0.378 3.653 1.00 0.00 H new ATOM 0 HA HIS A 30 5.982 0.398 2.217 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.841 1.179 1.695 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.784 0.914 0.324 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.799 2.842 3.650 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.335 5.437 0.326 1.00 0.00 H new ATOM 0 HE2 HIS A 30 6.025 5.196 2.842 1.00 0.00 H new ATOM 482 N ASN A 31 8.295 -1.884 1.654 1.00 0.00 N ATOM 483 CA ASN A 31 8.533 -3.187 1.042 1.00 0.00 C ATOM 484 C ASN A 31 8.496 -4.295 2.090 1.00 0.00 C ATOM 485 O ASN A 31 9.528 -4.765 2.571 1.00 0.00 O ATOM 486 CB ASN A 31 9.884 -3.197 0.323 1.00 0.00 C ATOM 487 CG ASN A 31 10.938 -2.394 1.060 1.00 0.00 C ATOM 488 OD1 ASN A 31 11.424 -2.805 2.112 1.00 0.00 O ATOM 489 ND2 ASN A 31 11.295 -1.240 0.507 1.00 0.00 N ATOM 0 H ASN A 31 9.072 -1.532 2.214 1.00 0.00 H new ATOM 0 HA ASN A 31 7.740 -3.370 0.316 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.226 -4.226 0.213 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.761 -2.793 -0.682 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.999 -0.655 0.957 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.865 -0.939 -0.367 1.00 0.00 H new ATOM 496 N PRO A 32 7.278 -4.724 2.454 1.00 0.00 N ATOM 497 CA PRO A 32 7.076 -5.782 3.449 1.00 0.00 C ATOM 498 C PRO A 32 7.512 -7.150 2.936 1.00 0.00 C ATOM 499 O PRO A 32 7.522 -7.396 1.729 1.00 0.00 O ATOM 500 CB PRO A 32 5.564 -5.757 3.690 1.00 0.00 C ATOM 501 CG PRO A 32 4.990 -5.191 2.438 1.00 0.00 C ATOM 502 CD PRO A 32 6.005 -4.209 1.924 1.00 0.00 C ATOM 0 HA PRO A 32 7.668 -5.615 4.349 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.178 -6.757 3.886 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.311 -5.143 4.554 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.801 -5.976 1.706 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.036 -4.700 2.633 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.010 -4.170 0.835 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.802 -3.199 2.279 1.00 0.00 H new ATOM 510 N ASP A 33 7.869 -8.036 3.857 1.00 0.00 N ATOM 511 CA ASP A 33 8.304 -9.381 3.499 1.00 0.00 C ATOM 512 C ASP A 33 7.157 -10.378 3.635 1.00 0.00 C ATOM 513 O ASP A 33 6.187 -10.129 4.351 1.00 0.00 O ATOM 514 CB ASP A 33 9.478 -9.813 4.379 1.00 0.00 C ATOM 515 CG ASP A 33 10.518 -8.719 4.532 1.00 0.00 C ATOM 516 OD1 ASP A 33 11.309 -8.516 3.587 1.00 0.00 O ATOM 517 OD2 ASP A 33 10.540 -8.069 5.598 1.00 0.00 O ATOM 0 H ASP A 33 7.866 -7.847 4.859 1.00 0.00 H new ATOM 0 HA ASP A 33 8.627 -9.366 2.458 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.106 -10.097 5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.946 -10.698 3.948 1.00 0.00 H new ATOM 522 N ALA A 34 7.275 -11.506 2.943 1.00 0.00 N ATOM 523 CA ALA A 34 6.249 -12.541 2.987 1.00 0.00 C ATOM 524 C ALA A 34 5.690 -12.699 4.397 1.00 0.00 C ATOM 525 O ALA A 34 4.477 -12.784 4.590 1.00 0.00 O ATOM 526 CB ALA A 34 6.811 -13.864 2.489 1.00 0.00 C ATOM 0 H ALA A 34 8.071 -11.727 2.345 1.00 0.00 H new ATOM 0 HA ALA A 34 5.433 -12.237 2.332 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.034 -14.627 2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.156 -13.749 1.461 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.647 -14.165 3.121 1.00 0.00 H new ATOM 532 N LYS A 35 6.582 -12.739 5.381 1.00 0.00 N ATOM 533 CA LYS A 35 6.179 -12.887 6.775 1.00 0.00 C ATOM 534 C LYS A 35 5.119 -11.855 7.147 1.00 0.00 C ATOM 535 O LYS A 35 4.093 -12.190 7.738 1.00 0.00 O ATOM 536 CB LYS A 35 7.392 -12.743 7.697 1.00 0.00 C ATOM 537 CG LYS A 35 7.251 -13.494 9.009 1.00 0.00 C ATOM 538 CD LYS A 35 6.305 -12.781 9.960 1.00 0.00 C ATOM 539 CE LYS A 35 6.429 -13.321 11.377 1.00 0.00 C ATOM 540 NZ LYS A 35 7.648 -12.807 12.062 1.00 0.00 N ATOM 0 H LYS A 35 7.590 -12.671 5.239 1.00 0.00 H new ATOM 0 HA LYS A 35 5.752 -13.882 6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.279 -13.103 7.176 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.554 -11.686 7.909 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.883 -14.501 8.815 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.230 -13.597 9.477 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.520 -11.712 9.956 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.279 -12.901 9.612 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.545 -13.042 11.951 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.460 -14.410 11.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.636 -13.101 13.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.495 -13.192 11.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.665 -11.769 12.007 1.00 0.00 H new ATOM 554 N ASP A 36 5.374 -10.599 6.796 1.00 0.00 N ATOM 555 CA ASP A 36 4.441 -9.518 7.090 1.00 0.00 C ATOM 556 C ASP A 36 3.137 -9.700 6.319 1.00 0.00 C ATOM 557 O ASP A 36 2.049 -9.495 6.860 1.00 0.00 O ATOM 558 CB ASP A 36 5.067 -8.166 6.747 1.00 0.00 C ATOM 559 CG ASP A 36 4.088 -7.019 6.898 1.00 0.00 C ATOM 560 OD1 ASP A 36 3.597 -6.803 8.027 1.00 0.00 O ATOM 561 OD2 ASP A 36 3.814 -6.336 5.890 1.00 0.00 O ATOM 0 H ASP A 36 6.220 -10.305 6.307 1.00 0.00 H new ATOM 0 HA ASP A 36 4.218 -9.545 8.157 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.927 -7.993 7.394 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.438 -8.190 5.722 1.00 0.00 H new ATOM 566 N LEU A 37 3.254 -10.085 5.053 1.00 0.00 N ATOM 567 CA LEU A 37 2.086 -10.294 4.206 1.00 0.00 C ATOM 568 C LEU A 37 1.122 -11.291 4.841 1.00 0.00 C ATOM 569 O LEU A 37 -0.038 -10.972 5.100 1.00 0.00 O ATOM 570 CB LEU A 37 2.514 -10.791 2.824 1.00 0.00 C ATOM 571 CG LEU A 37 2.984 -9.720 1.840 1.00 0.00 C ATOM 572 CD1 LEU A 37 3.602 -10.360 0.608 1.00 0.00 C ATOM 573 CD2 LEU A 37 1.829 -8.811 1.449 1.00 0.00 C ATOM 0 H LEU A 37 4.146 -10.259 4.591 1.00 0.00 H new ATOM 0 HA LEU A 37 1.572 -9.339 4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.319 -11.515 2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.675 -11.324 2.376 1.00 0.00 H new ATOM 0 HG LEU A 37 3.747 -9.115 2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.930 -9.581 -0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.457 -10.967 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.862 -10.991 0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.182 -8.055 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.043 -9.403 0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.432 -8.323 2.339 1.00 0.00 H new ATOM 585 N LYS A 38 1.613 -12.500 5.093 1.00 0.00 N ATOM 586 CA LYS A 38 0.799 -13.545 5.704 1.00 0.00 C ATOM 587 C LYS A 38 0.135 -13.041 6.981 1.00 0.00 C ATOM 588 O LYS A 38 -0.981 -13.443 7.311 1.00 0.00 O ATOM 589 CB LYS A 38 1.656 -14.774 6.012 1.00 0.00 C ATOM 590 CG LYS A 38 2.765 -14.505 7.014 1.00 0.00 C ATOM 591 CD LYS A 38 3.297 -15.795 7.616 1.00 0.00 C ATOM 592 CE LYS A 38 4.275 -16.486 6.678 1.00 0.00 C ATOM 593 NZ LYS A 38 3.596 -17.027 5.468 1.00 0.00 N ATOM 0 H LYS A 38 2.571 -12.781 4.883 1.00 0.00 H new ATOM 0 HA LYS A 38 0.019 -13.823 4.996 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.015 -15.567 6.396 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.096 -15.141 5.085 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.578 -13.969 6.524 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.390 -13.859 7.808 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.791 -15.579 8.563 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.466 -16.465 7.835 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.048 -15.780 6.375 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.774 -17.297 7.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.031 -17.933 5.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.587 -17.175 5.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.695 -16.352 4.683 1.00 0.00 H new ATOM 607 N GLN A 39 0.827 -12.158 7.694 1.00 0.00 N ATOM 608 CA GLN A 39 0.303 -11.600 8.935 1.00 0.00 C ATOM 609 C GLN A 39 -0.822 -10.610 8.654 1.00 0.00 C ATOM 610 O GLN A 39 -1.816 -10.560 9.380 1.00 0.00 O ATOM 611 CB GLN A 39 1.420 -10.911 9.721 1.00 0.00 C ATOM 612 CG GLN A 39 2.383 -11.881 10.386 1.00 0.00 C ATOM 613 CD GLN A 39 3.420 -11.180 11.241 1.00 0.00 C ATOM 614 OE1 GLN A 39 4.216 -10.384 10.744 1.00 0.00 O ATOM 615 NE2 GLN A 39 3.414 -11.472 12.537 1.00 0.00 N ATOM 0 H GLN A 39 1.751 -11.814 7.434 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.099 -12.419 9.531 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.979 -10.261 9.048 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.975 -10.273 10.484 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.820 -12.580 11.005 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.887 -12.469 9.619 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.736 -12.138 12.907 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.088 -11.030 13.163 1.00 0.00 H new ATOM 624 N LEU A 40 -0.659 -9.821 7.597 1.00 0.00 N ATOM 625 CA LEU A 40 -1.662 -8.831 7.218 1.00 0.00 C ATOM 626 C LEU A 40 -2.874 -9.500 6.580 1.00 0.00 C ATOM 627 O LEU A 40 -3.998 -9.013 6.697 1.00 0.00 O ATOM 628 CB LEU A 40 -1.060 -7.810 6.252 1.00 0.00 C ATOM 629 CG LEU A 40 -0.238 -6.687 6.888 1.00 0.00 C ATOM 630 CD1 LEU A 40 0.596 -5.975 5.835 1.00 0.00 C ATOM 631 CD2 LEU A 40 -1.149 -5.701 7.605 1.00 0.00 C ATOM 0 H LEU A 40 0.158 -9.848 6.987 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.989 -8.317 8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.425 -8.341 5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.871 -7.360 5.679 1.00 0.00 H new ATOM 0 HG LEU A 40 0.438 -7.127 7.621 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.174 -5.180 6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.274 -6.687 5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.062 -5.547 5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.548 -4.909 8.052 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.849 -5.267 6.891 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.704 -6.220 8.387 1.00 0.00 H new ATOM 643 N ALA A 41 -2.638 -10.620 5.904 1.00 0.00 N ATOM 644 CA ALA A 41 -3.712 -11.358 5.250 1.00 0.00 C ATOM 645 C ALA A 41 -4.767 -11.802 6.257 1.00 0.00 C ATOM 646 O ALA A 41 -5.917 -12.050 5.896 1.00 0.00 O ATOM 647 CB ALA A 41 -3.149 -12.562 4.509 1.00 0.00 C ATOM 0 H ALA A 41 -1.713 -11.036 5.795 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.191 -10.693 4.532 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.962 -13.104 4.025 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.438 -12.225 3.755 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.644 -13.220 5.216 1.00 0.00 H new ATOM 653 N GLN A 42 -4.367 -11.898 7.522 1.00 0.00 N ATOM 654 CA GLN A 42 -5.280 -12.312 8.581 1.00 0.00 C ATOM 655 C GLN A 42 -5.873 -11.102 9.293 1.00 0.00 C ATOM 656 O GLN A 42 -7.087 -11.013 9.483 1.00 0.00 O ATOM 657 CB GLN A 42 -4.554 -13.206 9.587 1.00 0.00 C ATOM 658 CG GLN A 42 -4.290 -14.612 9.074 1.00 0.00 C ATOM 659 CD GLN A 42 -5.452 -15.553 9.323 1.00 0.00 C ATOM 660 OE1 GLN A 42 -6.185 -15.407 10.301 1.00 0.00 O ATOM 661 NE2 GLN A 42 -5.626 -16.526 8.437 1.00 0.00 N ATOM 0 H GLN A 42 -3.418 -11.695 7.837 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.094 -12.876 8.125 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.605 -12.742 9.854 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.147 -13.267 10.500 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.083 -14.571 8.005 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.397 -15.009 9.556 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.994 -16.610 7.641 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.392 -17.190 8.552 1.00 0.00 H new ATOM 670 N LYS A 43 -5.011 -10.172 9.687 1.00 0.00 N ATOM 671 CA LYS A 43 -5.447 -8.965 10.378 1.00 0.00 C ATOM 672 C LYS A 43 -6.514 -8.231 9.570 1.00 0.00 C ATOM 673 O LYS A 43 -7.329 -7.492 10.123 1.00 0.00 O ATOM 674 CB LYS A 43 -4.257 -8.038 10.632 1.00 0.00 C ATOM 675 CG LYS A 43 -3.561 -8.291 11.958 1.00 0.00 C ATOM 676 CD LYS A 43 -2.674 -7.122 12.354 1.00 0.00 C ATOM 677 CE LYS A 43 -1.262 -7.287 11.813 1.00 0.00 C ATOM 678 NZ LYS A 43 -1.206 -7.086 10.338 1.00 0.00 N ATOM 0 H LYS A 43 -4.004 -10.231 9.539 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.879 -9.260 11.334 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.535 -8.157 9.824 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.600 -7.004 10.603 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.307 -8.463 12.734 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.960 -9.198 11.887 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.103 -6.194 11.977 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.642 -7.040 13.440 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.600 -6.573 12.302 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.893 -8.283 12.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.394 -6.481 10.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.102 -8.007 9.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.083 -6.630 10.016 1.00 0.00 H new ATOM 692 N THR A 44 -6.502 -8.439 8.256 1.00 0.00 N ATOM 693 CA THR A 44 -7.468 -7.798 7.373 1.00 0.00 C ATOM 694 C THR A 44 -8.434 -8.818 6.781 1.00 0.00 C ATOM 695 O THR A 44 -9.632 -8.566 6.678 1.00 0.00 O ATOM 696 CB THR A 44 -6.766 -7.047 6.226 1.00 0.00 C ATOM 697 OG1 THR A 44 -6.146 -7.981 5.335 1.00 0.00 O ATOM 698 CG2 THR A 44 -5.720 -6.085 6.768 1.00 0.00 C ATOM 0 H THR A 44 -5.834 -9.046 7.781 1.00 0.00 H new ATOM 0 HA THR A 44 -8.025 -7.084 7.979 1.00 0.00 H new ATOM 0 HB THR A 44 -7.518 -6.473 5.684 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.385 -8.405 5.784 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.238 -5.567 5.939 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.200 -5.357 7.422 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.972 -6.641 7.332 1.00 0.00 H new ATOM 706 N GLY A 45 -7.902 -9.973 6.393 1.00 0.00 N ATOM 707 CA GLY A 45 -8.732 -11.015 5.817 1.00 0.00 C ATOM 708 C GLY A 45 -8.503 -11.182 4.328 1.00 0.00 C ATOM 709 O GLY A 45 -8.887 -12.196 3.742 1.00 0.00 O ATOM 0 H GLY A 45 -6.912 -10.206 6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.526 -11.959 6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.781 -10.780 5.996 1.00 0.00 H new ATOM 713 N LEU A 46 -7.877 -10.185 3.712 1.00 0.00 N ATOM 714 CA LEU A 46 -7.597 -10.225 2.280 1.00 0.00 C ATOM 715 C LEU A 46 -6.616 -11.343 1.947 1.00 0.00 C ATOM 716 O LEU A 46 -6.127 -12.041 2.837 1.00 0.00 O ATOM 717 CB LEU A 46 -7.035 -8.881 1.814 1.00 0.00 C ATOM 718 CG LEU A 46 -7.900 -7.654 2.105 1.00 0.00 C ATOM 719 CD1 LEU A 46 -7.105 -6.376 1.882 1.00 0.00 C ATOM 720 CD2 LEU A 46 -9.150 -7.664 1.238 1.00 0.00 C ATOM 0 H LEU A 46 -7.554 -9.339 4.181 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.533 -10.422 1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.062 -8.734 2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.865 -8.934 0.739 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.207 -7.690 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.736 -5.513 2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.241 -6.365 2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.768 -6.333 0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.753 -6.783 1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.863 -7.653 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.730 -8.563 1.447 1.00 0.00 H new ATOM 732 N THR A 47 -6.329 -11.508 0.660 1.00 0.00 N ATOM 733 CA THR A 47 -5.405 -12.540 0.209 1.00 0.00 C ATOM 734 C THR A 47 -4.024 -11.957 -0.076 1.00 0.00 C ATOM 735 O THR A 47 -3.875 -10.748 -0.253 1.00 0.00 O ATOM 736 CB THR A 47 -5.924 -13.245 -1.059 1.00 0.00 C ATOM 737 OG1 THR A 47 -5.183 -14.449 -1.288 1.00 0.00 O ATOM 738 CG2 THR A 47 -5.808 -12.333 -2.270 1.00 0.00 C ATOM 0 H THR A 47 -6.724 -10.939 -0.089 1.00 0.00 H new ATOM 0 HA THR A 47 -5.329 -13.269 1.016 1.00 0.00 H new ATOM 0 HB THR A 47 -6.975 -13.490 -0.908 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.520 -14.892 -2.095 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.180 -12.852 -3.153 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.397 -11.431 -2.104 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.763 -12.061 -2.422 1.00 0.00 H new ATOM 746 N LYS A 48 -3.019 -12.824 -0.120 1.00 0.00 N ATOM 747 CA LYS A 48 -1.651 -12.395 -0.387 1.00 0.00 C ATOM 748 C LYS A 48 -1.600 -11.446 -1.580 1.00 0.00 C ATOM 749 O LYS A 48 -0.954 -10.399 -1.525 1.00 0.00 O ATOM 750 CB LYS A 48 -0.757 -13.610 -0.650 1.00 0.00 C ATOM 751 CG LYS A 48 0.691 -13.399 -0.239 1.00 0.00 C ATOM 752 CD LYS A 48 0.928 -13.818 1.201 1.00 0.00 C ATOM 753 CE LYS A 48 2.405 -14.053 1.477 1.00 0.00 C ATOM 754 NZ LYS A 48 2.833 -15.421 1.074 1.00 0.00 N ATOM 0 H LYS A 48 -3.126 -13.828 0.026 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.285 -11.864 0.492 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.158 -14.469 -0.112 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.793 -13.854 -1.712 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.344 -13.971 -0.898 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.956 -12.349 -0.362 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.549 -13.047 1.872 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.368 -14.729 1.413 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.997 -13.314 0.938 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.604 -13.908 2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.846 -15.542 1.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.286 -16.127 1.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.667 -15.551 0.056 1.00 0.00 H new ATOM 768 N ARG A 49 -2.287 -11.817 -2.655 1.00 0.00 N ATOM 769 CA ARG A 49 -2.321 -10.997 -3.860 1.00 0.00 C ATOM 770 C ARG A 49 -2.878 -9.610 -3.559 1.00 0.00 C ATOM 771 O ARG A 49 -2.152 -8.616 -3.599 1.00 0.00 O ATOM 772 CB ARG A 49 -3.166 -11.675 -4.940 1.00 0.00 C ATOM 773 CG ARG A 49 -3.223 -10.899 -6.246 1.00 0.00 C ATOM 774 CD ARG A 49 -2.017 -11.195 -7.124 1.00 0.00 C ATOM 775 NE ARG A 49 -2.216 -12.387 -7.943 1.00 0.00 N ATOM 776 CZ ARG A 49 -3.070 -12.446 -8.960 1.00 0.00 C ATOM 777 NH1 ARG A 49 -3.798 -11.385 -9.280 1.00 0.00 N ATOM 778 NH2 ARG A 49 -3.195 -13.567 -9.658 1.00 0.00 N ATOM 0 H ARG A 49 -2.828 -12.680 -2.716 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.299 -10.887 -4.223 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.762 -12.668 -5.135 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.180 -11.811 -4.564 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.137 -11.155 -6.783 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.266 -9.831 -6.034 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.821 -10.340 -7.770 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.136 -11.329 -6.496 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.670 -13.220 -7.723 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.703 -10.521 -8.745 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.453 -11.432 -10.061 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.636 -14.384 -9.414 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.850 -13.612 -10.438 1.00 0.00 H new ATOM 792 N VAL A 50 -4.172 -9.549 -3.259 1.00 0.00 N ATOM 793 CA VAL A 50 -4.826 -8.284 -2.950 1.00 0.00 C ATOM 794 C VAL A 50 -3.934 -7.399 -2.086 1.00 0.00 C ATOM 795 O VAL A 50 -3.892 -6.181 -2.261 1.00 0.00 O ATOM 796 CB VAL A 50 -6.166 -8.508 -2.224 1.00 0.00 C ATOM 797 CG1 VAL A 50 -6.807 -7.176 -1.864 1.00 0.00 C ATOM 798 CG2 VAL A 50 -7.104 -9.344 -3.082 1.00 0.00 C ATOM 0 H VAL A 50 -4.788 -10.362 -3.224 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.015 -7.785 -3.901 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.972 -9.053 -1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.753 -7.354 -1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.139 -6.616 -1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.989 -6.602 -2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.046 -9.492 -2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.294 -8.828 -4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.646 -10.312 -3.285 1.00 0.00 H new ATOM 808 N LEU A 51 -3.221 -8.020 -1.153 1.00 0.00 N ATOM 809 CA LEU A 51 -2.328 -7.290 -0.261 1.00 0.00 C ATOM 810 C LEU A 51 -1.099 -6.786 -1.012 1.00 0.00 C ATOM 811 O LEU A 51 -0.657 -5.656 -0.809 1.00 0.00 O ATOM 812 CB LEU A 51 -1.896 -8.183 0.904 1.00 0.00 C ATOM 813 CG LEU A 51 -3.017 -8.679 1.821 1.00 0.00 C ATOM 814 CD1 LEU A 51 -2.614 -9.979 2.500 1.00 0.00 C ATOM 815 CD2 LEU A 51 -3.367 -7.620 2.855 1.00 0.00 C ATOM 0 H LEU A 51 -3.244 -9.027 -0.995 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.871 -6.429 0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.376 -9.050 0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.175 -7.633 1.509 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.901 -8.870 1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.423 -10.317 3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.414 -10.738 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.716 -9.815 3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.166 -7.989 3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.488 -7.397 3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.699 -6.713 2.349 1.00 0.00 H new ATOM 827 N GLN A 52 -0.556 -7.633 -1.881 1.00 0.00 N ATOM 828 CA GLN A 52 0.621 -7.272 -2.663 1.00 0.00 C ATOM 829 C GLN A 52 0.310 -6.121 -3.614 1.00 0.00 C ATOM 830 O GLN A 52 0.974 -5.085 -3.589 1.00 0.00 O ATOM 831 CB GLN A 52 1.124 -8.481 -3.453 1.00 0.00 C ATOM 832 CG GLN A 52 2.012 -9.412 -2.644 1.00 0.00 C ATOM 833 CD GLN A 52 3.453 -8.941 -2.588 1.00 0.00 C ATOM 834 OE1 GLN A 52 4.240 -9.208 -3.496 1.00 0.00 O ATOM 835 NE2 GLN A 52 3.805 -8.237 -1.519 1.00 0.00 N ATOM 0 H GLN A 52 -0.911 -8.572 -2.061 1.00 0.00 H new ATOM 0 HA GLN A 52 1.400 -6.948 -1.973 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.267 -9.043 -3.825 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.678 -8.130 -4.324 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.620 -9.492 -1.630 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.977 -10.411 -3.079 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.119 -8.039 -0.790 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.761 -7.894 -1.426 1.00 0.00 H new ATOM 844 N VAL A 53 -0.704 -6.311 -4.453 1.00 0.00 N ATOM 845 CA VAL A 53 -1.103 -5.288 -5.412 1.00 0.00 C ATOM 846 C VAL A 53 -1.270 -3.932 -4.734 1.00 0.00 C ATOM 847 O VAL A 53 -0.636 -2.951 -5.121 1.00 0.00 O ATOM 848 CB VAL A 53 -2.421 -5.663 -6.116 1.00 0.00 C ATOM 849 CG1 VAL A 53 -2.825 -4.580 -7.105 1.00 0.00 C ATOM 850 CG2 VAL A 53 -2.290 -7.009 -6.811 1.00 0.00 C ATOM 0 H VAL A 53 -1.263 -7.163 -4.488 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.308 -5.223 -6.154 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.204 -5.744 -5.363 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.758 -4.862 -7.593 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.963 -3.637 -6.576 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.044 -4.464 -7.856 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.230 -7.258 -7.303 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.494 -6.959 -7.554 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.051 -7.777 -6.075 1.00 0.00 H new ATOM 860 N TRP A 54 -2.126 -3.887 -3.719 1.00 0.00 N ATOM 861 CA TRP A 54 -2.375 -2.651 -2.985 1.00 0.00 C ATOM 862 C TRP A 54 -1.069 -1.927 -2.678 1.00 0.00 C ATOM 863 O TRP A 54 -0.822 -0.832 -3.182 1.00 0.00 O ATOM 864 CB TRP A 54 -3.126 -2.948 -1.687 1.00 0.00 C ATOM 865 CG TRP A 54 -3.597 -1.715 -0.977 1.00 0.00 C ATOM 866 CD1 TRP A 54 -4.779 -1.061 -1.167 1.00 0.00 C ATOM 867 CD2 TRP A 54 -2.891 -0.987 0.035 1.00 0.00 C ATOM 868 NE1 TRP A 54 -4.853 0.030 -0.334 1.00 0.00 N ATOM 869 CE2 TRP A 54 -3.708 0.097 0.414 1.00 0.00 C ATOM 870 CE3 TRP A 54 -1.651 -1.146 0.659 1.00 0.00 C ATOM 871 CZ2 TRP A 54 -3.321 1.015 1.386 1.00 0.00 C ATOM 872 CZ3 TRP A 54 -1.270 -0.234 1.624 1.00 0.00 C ATOM 873 CH2 TRP A 54 -2.102 0.835 1.981 1.00 0.00 C ATOM 0 H TRP A 54 -2.659 -4.691 -3.386 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.988 -2.003 -3.611 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.985 -3.581 -1.910 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.476 -3.516 -1.021 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.544 -1.357 -1.869 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.634 0.684 -0.282 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.002 -1.967 0.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.961 1.841 1.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.313 -0.347 2.112 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.775 1.530 2.740 1.00 0.00 H new ATOM 884 N PHE A 55 -0.236 -2.545 -1.849 1.00 0.00 N ATOM 885 CA PHE A 55 1.045 -1.959 -1.474 1.00 0.00 C ATOM 886 C PHE A 55 1.825 -1.522 -2.710 1.00 0.00 C ATOM 887 O PHE A 55 2.398 -0.433 -2.741 1.00 0.00 O ATOM 888 CB PHE A 55 1.872 -2.960 -0.664 1.00 0.00 C ATOM 889 CG PHE A 55 1.630 -2.880 0.816 1.00 0.00 C ATOM 890 CD1 PHE A 55 0.620 -3.620 1.409 1.00 0.00 C ATOM 891 CD2 PHE A 55 2.412 -2.061 1.615 1.00 0.00 C ATOM 892 CE1 PHE A 55 0.395 -3.548 2.770 1.00 0.00 C ATOM 893 CE2 PHE A 55 2.191 -1.984 2.977 1.00 0.00 C ATOM 894 CZ PHE A 55 1.182 -2.728 3.555 1.00 0.00 C ATOM 0 H PHE A 55 -0.425 -3.453 -1.423 1.00 0.00 H new ATOM 0 HA PHE A 55 0.848 -1.081 -0.860 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.644 -3.969 -1.007 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.930 -2.788 -0.861 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.001 -4.261 0.799 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.203 -1.477 1.168 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.395 -4.132 3.219 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.807 -1.342 3.589 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.008 -2.669 4.619 1.00 0.00 H new ATOM 904 N GLN A 56 1.842 -2.378 -3.726 1.00 0.00 N ATOM 905 CA GLN A 56 2.553 -2.080 -4.964 1.00 0.00 C ATOM 906 C GLN A 56 1.984 -0.832 -5.631 1.00 0.00 C ATOM 907 O GLN A 56 2.722 -0.042 -6.219 1.00 0.00 O ATOM 908 CB GLN A 56 2.469 -3.269 -5.923 1.00 0.00 C ATOM 909 CG GLN A 56 3.406 -4.409 -5.562 1.00 0.00 C ATOM 910 CD GLN A 56 2.966 -5.735 -6.150 1.00 0.00 C ATOM 911 OE1 GLN A 56 1.863 -6.212 -5.878 1.00 0.00 O ATOM 912 NE2 GLN A 56 3.827 -6.339 -6.960 1.00 0.00 N ATOM 0 H GLN A 56 1.372 -3.283 -3.717 1.00 0.00 H new ATOM 0 HA GLN A 56 3.598 -1.894 -4.718 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.445 -3.642 -5.937 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.698 -2.928 -6.933 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.410 -4.175 -5.915 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.463 -4.498 -4.477 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.730 -5.908 -7.158 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.586 -7.234 -7.385 1.00 0.00 H new ATOM 921 N ASN A 57 0.671 -0.661 -5.534 1.00 0.00 N ATOM 922 CA ASN A 57 0.003 0.491 -6.129 1.00 0.00 C ATOM 923 C ASN A 57 0.316 1.763 -5.348 1.00 0.00 C ATOM 924 O ASN A 57 0.471 2.837 -5.929 1.00 0.00 O ATOM 925 CB ASN A 57 -1.509 0.264 -6.173 1.00 0.00 C ATOM 926 CG ASN A 57 -1.946 -0.486 -7.416 1.00 0.00 C ATOM 927 OD1 ASN A 57 -1.445 -0.237 -8.513 1.00 0.00 O ATOM 928 ND2 ASN A 57 -2.884 -1.411 -7.249 1.00 0.00 N ATOM 0 H ASN A 57 0.047 -1.306 -5.049 1.00 0.00 H new ATOM 0 HA ASN A 57 0.374 0.610 -7.147 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.815 -0.295 -5.289 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.019 1.226 -6.135 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.218 -1.949 -8.049 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.271 -1.583 -6.321 1.00 0.00 H new ATOM 935 N ALA A 58 0.408 1.635 -4.029 1.00 0.00 N ATOM 936 CA ALA A 58 0.705 2.773 -3.169 1.00 0.00 C ATOM 937 C ALA A 58 2.026 3.427 -3.560 1.00 0.00 C ATOM 938 O ALA A 58 2.074 4.619 -3.860 1.00 0.00 O ATOM 939 CB ALA A 58 0.740 2.338 -1.711 1.00 0.00 C ATOM 0 H ALA A 58 0.281 0.753 -3.532 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.087 3.510 -3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.963 3.198 -1.080 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.229 1.924 -1.431 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.511 1.579 -1.576 1.00 0.00 H new ATOM 945 N ARG A 59 3.096 2.639 -3.553 1.00 0.00 N ATOM 946 CA ARG A 59 4.418 3.142 -3.905 1.00 0.00 C ATOM 947 C ARG A 59 4.372 3.917 -5.218 1.00 0.00 C ATOM 948 O ARG A 59 5.048 4.934 -5.374 1.00 0.00 O ATOM 949 CB ARG A 59 5.414 1.986 -4.017 1.00 0.00 C ATOM 950 CG ARG A 59 6.094 1.637 -2.703 1.00 0.00 C ATOM 951 CD ARG A 59 6.724 0.255 -2.751 1.00 0.00 C ATOM 952 NE ARG A 59 8.101 0.297 -3.236 1.00 0.00 N ATOM 953 CZ ARG A 59 8.426 0.328 -4.523 1.00 0.00 C ATOM 954 NH1 ARG A 59 7.479 0.323 -5.450 1.00 0.00 N ATOM 955 NH2 ARG A 59 9.702 0.366 -4.886 1.00 0.00 N ATOM 0 H ARG A 59 3.073 1.649 -3.307 1.00 0.00 H new ATOM 0 HA ARG A 59 4.745 3.818 -3.115 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.894 1.105 -4.392 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.176 2.244 -4.753 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.860 2.380 -2.480 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.366 1.678 -1.893 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.704 -0.187 -1.755 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.131 -0.391 -3.399 1.00 0.00 H new ATOM 0 HE ARG A 59 8.854 0.303 -2.548 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.497 0.295 -5.176 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.732 0.347 -6.438 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.434 0.371 -4.176 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.950 0.390 -5.875 1.00 0.00 H new