USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=6 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 150:sc= -0.342 USER MOD Set 1.2: A 29 ASN : amide:sc= -1.44! K(o=-1.8!,f=-2.5) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 17 HIS : no HD1:sc=-0.00439 X(o=-0.0044,f=0) USER MOD Single : A 18 GLN : amide:sc= -3.92! C(o=-3.9!,f=-3.3!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -152:sc= -1.04 (180deg=-2.33!) 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= -0.384 X(o=-0.38,f=0.076) USER MOD Single : A 31 ASN : amide:sc= -0.0533 X(o=-0.053,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -64:sc= 0.738 USER MOD Single : A 47 THR OG1 : rot 180:sc=0.000376 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.17! C(o=-2.2!,f=-5.2!) USER MOD Single : A 56 GLN : amide:sc= -1.42 K(o=-1.4,f=-4.6!) USER MOD Single : A 57 ASN : amide:sc= 0.226 X(o=0.23,f=0) USER MOD ----------------------------------------------------------------- ATOM 178 N PHE A 14 -12.321 -2.237 -0.924 1.00 0.00 N ATOM 179 CA PHE A 14 -11.718 -2.382 0.397 1.00 0.00 C ATOM 180 C PHE A 14 -12.483 -1.571 1.437 1.00 0.00 C ATOM 181 O PHE A 14 -13.008 -0.497 1.141 1.00 0.00 O ATOM 182 CB PHE A 14 -10.253 -1.939 0.363 1.00 0.00 C ATOM 183 CG PHE A 14 -9.468 -2.548 -0.763 1.00 0.00 C ATOM 184 CD1 PHE A 14 -9.318 -3.922 -0.856 1.00 0.00 C ATOM 185 CD2 PHE A 14 -8.878 -1.747 -1.727 1.00 0.00 C ATOM 186 CE1 PHE A 14 -8.596 -4.487 -1.891 1.00 0.00 C ATOM 187 CE2 PHE A 14 -8.156 -2.305 -2.765 1.00 0.00 C ATOM 188 CZ PHE A 14 -8.014 -3.677 -2.846 1.00 0.00 C ATOM 0 HA PHE A 14 -11.766 -3.434 0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.212 -0.853 0.278 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.780 -2.203 1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.771 -4.560 -0.111 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.983 -0.674 -1.667 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.487 -5.560 -1.952 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.703 -1.670 -3.512 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.449 -4.115 -3.655 1.00 0.00 H new ATOM 198 N LYS A 15 -12.542 -2.090 2.658 1.00 0.00 N ATOM 199 CA LYS A 15 -13.243 -1.416 3.745 1.00 0.00 C ATOM 200 C LYS A 15 -12.337 -0.395 4.424 1.00 0.00 C ATOM 201 O LYS A 15 -11.177 -0.228 4.043 1.00 0.00 O ATOM 202 CB LYS A 15 -13.738 -2.437 4.772 1.00 0.00 C ATOM 203 CG LYS A 15 -14.375 -3.667 4.148 1.00 0.00 C ATOM 204 CD LYS A 15 -15.446 -4.257 5.048 1.00 0.00 C ATOM 205 CE LYS A 15 -14.867 -5.289 6.003 1.00 0.00 C ATOM 206 NZ LYS A 15 -15.923 -6.164 6.582 1.00 0.00 N ATOM 0 H LYS A 15 -12.112 -2.977 2.921 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.100 -0.892 3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.900 -2.749 5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.463 -1.957 5.429 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.813 -3.403 3.185 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.608 -4.417 3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.923 -3.460 5.618 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.221 -4.720 4.437 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.136 -5.902 5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.335 -4.781 6.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.487 -6.853 7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.607 -5.582 7.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.414 -6.669 5.817 1.00 0.00 H new ATOM 220 N HIS A 16 -12.872 0.286 5.432 1.00 0.00 N ATOM 221 CA HIS A 16 -12.110 1.290 6.167 1.00 0.00 C ATOM 222 C HIS A 16 -11.389 0.663 7.356 1.00 0.00 C ATOM 223 O HIS A 16 -10.458 1.248 7.911 1.00 0.00 O ATOM 224 CB HIS A 16 -13.033 2.410 6.648 1.00 0.00 C ATOM 225 CG HIS A 16 -13.688 3.165 5.533 1.00 0.00 C ATOM 226 ND1 HIS A 16 -15.007 3.571 5.572 1.00 0.00 N ATOM 227 CD2 HIS A 16 -13.201 3.590 4.344 1.00 0.00 C ATOM 228 CE1 HIS A 16 -15.301 4.210 4.454 1.00 0.00 C ATOM 229 NE2 HIS A 16 -14.223 4.237 3.692 1.00 0.00 N ATOM 0 H HIS A 16 -13.830 0.161 5.759 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.363 1.709 5.492 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.804 1.984 7.290 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.458 3.106 7.259 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -12.196 3.447 3.976 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -16.261 4.638 4.205 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -14.159 4.668 2.770 1.00 0.00 H new ATOM 238 N HIS A 17 -11.827 -0.531 7.745 1.00 0.00 N ATOM 239 CA HIS A 17 -11.224 -1.237 8.870 1.00 0.00 C ATOM 240 C HIS A 17 -9.965 -1.980 8.432 1.00 0.00 C ATOM 241 O HIS A 17 -8.879 -1.744 8.962 1.00 0.00 O ATOM 242 CB HIS A 17 -12.225 -2.220 9.478 1.00 0.00 C ATOM 243 CG HIS A 17 -13.545 -1.599 9.815 1.00 0.00 C ATOM 244 ND1 HIS A 17 -13.852 -1.118 11.070 1.00 0.00 N ATOM 245 CD2 HIS A 17 -14.641 -1.380 9.052 1.00 0.00 C ATOM 246 CE1 HIS A 17 -15.080 -0.631 11.064 1.00 0.00 C ATOM 247 NE2 HIS A 17 -15.581 -0.778 9.851 1.00 0.00 N ATOM 0 H HIS A 17 -12.597 -1.029 7.298 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.947 -0.500 9.624 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.387 -3.040 8.779 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -11.795 -2.652 10.382 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -14.755 -1.632 8.008 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.588 -0.188 11.908 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.514 -0.491 9.556 1.00 0.00 H new ATOM 256 N GLN A 18 -10.120 -2.877 7.464 1.00 0.00 N ATOM 257 CA GLN A 18 -8.995 -3.655 6.958 1.00 0.00 C ATOM 258 C GLN A 18 -7.888 -2.741 6.444 1.00 0.00 C ATOM 259 O GLN A 18 -6.717 -2.909 6.790 1.00 0.00 O ATOM 260 CB GLN A 18 -9.457 -4.593 5.842 1.00 0.00 C ATOM 261 CG GLN A 18 -10.637 -4.057 5.046 1.00 0.00 C ATOM 262 CD GLN A 18 -10.671 -4.584 3.626 1.00 0.00 C ATOM 263 OE1 GLN A 18 -11.360 -5.561 3.330 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.926 -3.939 2.736 1.00 0.00 N ATOM 0 H GLN A 18 -11.012 -3.083 7.015 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.598 -4.249 7.781 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.624 -4.774 5.163 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.729 -5.555 6.277 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.564 -4.327 5.552 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.591 -2.968 5.024 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.370 -3.134 3.024 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.910 -4.249 1.764 1.00 0.00 H new ATOM 273 N LEU A 19 -8.265 -1.772 5.616 1.00 0.00 N ATOM 274 CA LEU A 19 -7.304 -0.830 5.053 1.00 0.00 C ATOM 275 C LEU A 19 -6.519 -0.129 6.156 1.00 0.00 C ATOM 276 O LEU A 19 -5.298 0.014 6.069 1.00 0.00 O ATOM 277 CB LEU A 19 -8.023 0.205 4.185 1.00 0.00 C ATOM 278 CG LEU A 19 -8.205 -0.163 2.713 1.00 0.00 C ATOM 279 CD1 LEU A 19 -8.729 1.028 1.926 1.00 0.00 C ATOM 280 CD2 LEU A 19 -6.894 -0.660 2.121 1.00 0.00 C ATOM 0 H LEU A 19 -9.229 -1.618 5.320 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.603 -1.390 4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.007 0.391 4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.469 1.142 4.239 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.938 -0.967 2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.852 0.747 0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.691 1.339 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.020 1.853 1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.043 -0.917 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.140 0.123 2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.559 -1.542 2.667 1.00 0.00 H new ATOM 292 N ARG A 20 -7.225 0.305 7.194 1.00 0.00 N ATOM 293 CA ARG A 20 -6.594 0.990 8.315 1.00 0.00 C ATOM 294 C ARG A 20 -5.362 0.228 8.795 1.00 0.00 C ATOM 295 O ARG A 20 -4.329 0.823 9.101 1.00 0.00 O ATOM 296 CB ARG A 20 -7.587 1.151 9.468 1.00 0.00 C ATOM 297 CG ARG A 20 -6.935 1.535 10.786 1.00 0.00 C ATOM 298 CD ARG A 20 -7.914 2.247 11.706 1.00 0.00 C ATOM 299 NE ARG A 20 -7.424 2.316 13.079 1.00 0.00 N ATOM 300 CZ ARG A 20 -7.502 1.307 13.940 1.00 0.00 C ATOM 301 NH1 ARG A 20 -8.048 0.157 13.569 1.00 0.00 N ATOM 302 NH2 ARG A 20 -7.033 1.446 15.173 1.00 0.00 N ATOM 0 H ARG A 20 -8.235 0.194 7.282 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.280 1.977 7.974 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.321 1.911 9.201 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.131 0.216 9.601 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.555 0.640 11.280 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.078 2.181 10.595 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.093 3.256 11.334 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.872 1.727 11.689 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.998 3.187 13.395 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.409 0.046 12.621 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.107 -0.617 14.231 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.611 2.329 15.462 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.094 0.670 15.832 1.00 0.00 H new ATOM 316 N THR A 21 -5.479 -1.095 8.858 1.00 0.00 N ATOM 317 CA THR A 21 -4.376 -1.940 9.301 1.00 0.00 C ATOM 318 C THR A 21 -3.224 -1.909 8.304 1.00 0.00 C ATOM 319 O THR A 21 -2.056 -1.928 8.689 1.00 0.00 O ATOM 320 CB THR A 21 -4.830 -3.398 9.500 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.777 -3.475 10.572 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.641 -4.298 9.801 1.00 0.00 C ATOM 0 H THR A 21 -6.326 -1.605 8.608 1.00 0.00 H new ATOM 0 HA THR A 21 -4.036 -1.540 10.256 1.00 0.00 H new ATOM 0 HB THR A 21 -5.299 -3.739 8.577 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.062 -4.405 10.691 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.986 -5.323 9.938 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.936 -4.260 8.970 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.148 -3.957 10.711 1.00 0.00 H new ATOM 330 N MET A 22 -3.562 -1.862 7.019 1.00 0.00 N ATOM 331 CA MET A 22 -2.554 -1.827 5.966 1.00 0.00 C ATOM 332 C MET A 22 -1.900 -0.452 5.884 1.00 0.00 C ATOM 333 O MET A 22 -0.702 -0.307 6.126 1.00 0.00 O ATOM 334 CB MET A 22 -3.183 -2.186 4.617 1.00 0.00 C ATOM 335 CG MET A 22 -3.650 -3.630 4.530 1.00 0.00 C ATOM 336 SD MET A 22 -3.587 -4.280 2.850 1.00 0.00 S ATOM 337 CE MET A 22 -5.101 -3.609 2.170 1.00 0.00 C ATOM 0 H MET A 22 -4.525 -1.847 6.683 1.00 0.00 H new ATOM 0 HA MET A 22 -1.786 -2.561 6.209 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.031 -1.527 4.434 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.457 -1.999 3.826 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.029 -4.248 5.178 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.671 -3.701 4.905 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.467 -4.265 1.381 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.851 -3.534 2.957 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.907 -2.619 1.758 1.00 0.00 H new ATOM 347 N LYS A 23 -2.695 0.557 5.542 1.00 0.00 N ATOM 348 CA LYS A 23 -2.194 1.922 5.430 1.00 0.00 C ATOM 349 C LYS A 23 -1.182 2.223 6.531 1.00 0.00 C ATOM 350 O LYS A 23 -0.042 2.595 6.256 1.00 0.00 O ATOM 351 CB LYS A 23 -3.352 2.920 5.499 1.00 0.00 C ATOM 352 CG LYS A 23 -4.366 2.754 4.381 1.00 0.00 C ATOM 353 CD LYS A 23 -5.503 3.754 4.506 1.00 0.00 C ATOM 354 CE LYS A 23 -6.075 4.120 3.145 1.00 0.00 C ATOM 355 NZ LYS A 23 -7.170 5.124 3.256 1.00 0.00 N ATOM 0 H LYS A 23 -3.689 0.455 5.338 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.695 2.021 4.466 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.859 2.809 6.457 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.950 3.933 5.466 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.872 2.883 3.418 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.768 1.741 4.400 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.291 3.335 5.132 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.144 4.654 5.005 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.281 4.517 2.512 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.454 3.222 2.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.534 5.347 2.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.939 4.736 3.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.803 5.990 3.699 1.00 0.00 H new ATOM 369 N SER A 24 -1.608 2.058 7.780 1.00 0.00 N ATOM 370 CA SER A 24 -0.739 2.314 8.924 1.00 0.00 C ATOM 371 C SER A 24 0.622 1.653 8.731 1.00 0.00 C ATOM 372 O SER A 24 1.661 2.257 9.000 1.00 0.00 O ATOM 373 CB SER A 24 -1.390 1.802 10.210 1.00 0.00 C ATOM 374 OG SER A 24 -0.600 2.118 11.342 1.00 0.00 O ATOM 0 H SER A 24 -2.548 1.749 8.025 1.00 0.00 H new ATOM 0 HA SER A 24 -0.592 3.391 9.004 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.381 2.242 10.320 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.526 0.722 10.148 1.00 0.00 H new ATOM 0 HG SER A 24 -1.038 1.781 12.151 1.00 0.00 H new ATOM 380 N TYR A 25 0.608 0.411 8.263 1.00 0.00 N ATOM 381 CA TYR A 25 1.840 -0.335 8.035 1.00 0.00 C ATOM 382 C TYR A 25 2.707 0.353 6.985 1.00 0.00 C ATOM 383 O TYR A 25 3.930 0.423 7.121 1.00 0.00 O ATOM 384 CB TYR A 25 1.523 -1.764 7.593 1.00 0.00 C ATOM 385 CG TYR A 25 2.753 -2.610 7.350 1.00 0.00 C ATOM 386 CD1 TYR A 25 3.564 -2.389 6.244 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.103 -3.629 8.227 1.00 0.00 C ATOM 388 CE1 TYR A 25 4.688 -3.160 6.018 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.226 -4.404 8.009 1.00 0.00 C ATOM 390 CZ TYR A 25 5.015 -4.166 6.903 1.00 0.00 C ATOM 391 OH TYR A 25 6.135 -4.935 6.682 1.00 0.00 O ATOM 0 H TYR A 25 -0.244 -0.102 8.034 1.00 0.00 H new ATOM 0 HA TYR A 25 2.393 -0.367 8.974 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.908 -2.243 8.355 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.930 -1.730 6.679 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.312 -1.601 5.549 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.487 -3.819 9.094 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.307 -2.976 5.153 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.485 -5.192 8.701 1.00 0.00 H new ATOM 0 HH TYR A 25 6.500 -5.235 7.540 1.00 0.00 H new ATOM 401 N PHE A 26 2.066 0.861 5.938 1.00 0.00 N ATOM 402 CA PHE A 26 2.776 1.545 4.863 1.00 0.00 C ATOM 403 C PHE A 26 3.830 2.495 5.426 1.00 0.00 C ATOM 404 O PHE A 26 4.905 2.657 4.850 1.00 0.00 O ATOM 405 CB PHE A 26 1.792 2.319 3.984 1.00 0.00 C ATOM 406 CG PHE A 26 2.434 2.951 2.781 1.00 0.00 C ATOM 407 CD1 PHE A 26 3.111 2.177 1.854 1.00 0.00 C ATOM 408 CD2 PHE A 26 2.357 4.320 2.579 1.00 0.00 C ATOM 409 CE1 PHE A 26 3.701 2.756 0.745 1.00 0.00 C ATOM 410 CE2 PHE A 26 2.945 4.904 1.473 1.00 0.00 C ATOM 411 CZ PHE A 26 3.619 4.122 0.555 1.00 0.00 C ATOM 0 H PHE A 26 1.055 0.812 5.811 1.00 0.00 H new ATOM 0 HA PHE A 26 3.278 0.792 4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.004 1.643 3.653 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.316 3.096 4.582 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.179 1.109 1.998 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.832 4.937 3.293 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.225 2.141 0.028 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.878 5.972 1.326 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.081 4.577 -0.309 1.00 0.00 H new ATOM 421 N ALA A 27 3.512 3.120 6.555 1.00 0.00 N ATOM 422 CA ALA A 27 4.430 4.052 7.196 1.00 0.00 C ATOM 423 C ALA A 27 5.576 3.312 7.879 1.00 0.00 C ATOM 424 O ALA A 27 6.719 3.769 7.860 1.00 0.00 O ATOM 425 CB ALA A 27 3.686 4.919 8.202 1.00 0.00 C ATOM 0 H ALA A 27 2.625 2.997 7.044 1.00 0.00 H new ATOM 0 HA ALA A 27 4.855 4.693 6.424 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.385 5.611 8.673 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.907 5.483 7.690 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.233 4.285 8.964 1.00 0.00 H new ATOM 431 N ILE A 28 5.262 2.170 8.479 1.00 0.00 N ATOM 432 CA ILE A 28 6.266 1.368 9.167 1.00 0.00 C ATOM 433 C ILE A 28 7.265 0.774 8.180 1.00 0.00 C ATOM 434 O ILE A 28 8.476 0.918 8.345 1.00 0.00 O ATOM 435 CB ILE A 28 5.619 0.227 9.974 1.00 0.00 C ATOM 436 CG1 ILE A 28 4.550 0.783 10.918 1.00 0.00 C ATOM 437 CG2 ILE A 28 6.678 -0.535 10.756 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.435 -0.196 11.210 1.00 0.00 C ATOM 0 H ILE A 28 4.320 1.779 8.503 1.00 0.00 H new ATOM 0 HA ILE A 28 6.788 2.036 9.852 1.00 0.00 H new ATOM 0 HB ILE A 28 5.141 -0.463 9.279 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.022 1.075 11.856 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.125 1.686 10.481 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.205 -1.338 11.321 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.407 -0.958 10.065 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.182 0.144 11.443 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.714 0.265 11.885 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.938 -0.469 10.279 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.849 -1.090 11.676 1.00 0.00 H new ATOM 450 N ASN A 29 6.750 0.108 7.153 1.00 0.00 N ATOM 451 CA ASN A 29 7.597 -0.507 6.137 1.00 0.00 C ATOM 452 C ASN A 29 6.962 -0.390 4.755 1.00 0.00 C ATOM 453 O ASN A 29 5.790 -0.721 4.568 1.00 0.00 O ATOM 454 CB ASN A 29 7.845 -1.978 6.474 1.00 0.00 C ATOM 455 CG ASN A 29 8.817 -2.635 5.512 1.00 0.00 C ATOM 456 OD1 ASN A 29 9.612 -1.960 4.857 1.00 0.00 O ATOM 457 ND2 ASN A 29 8.758 -3.959 5.423 1.00 0.00 N ATOM 0 H ASN A 29 5.749 -0.020 7.001 1.00 0.00 H new ATOM 0 HA ASN A 29 8.550 0.022 6.125 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.235 -2.055 7.489 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.898 -2.517 6.454 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.387 -4.456 4.793 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.083 -4.478 5.985 1.00 0.00 H new ATOM 464 N HIS A 30 7.742 0.082 3.789 1.00 0.00 N ATOM 465 CA HIS A 30 7.257 0.242 2.422 1.00 0.00 C ATOM 466 C HIS A 30 7.307 -1.084 1.669 1.00 0.00 C ATOM 467 O HIS A 30 6.359 -1.454 0.980 1.00 0.00 O ATOM 468 CB HIS A 30 8.086 1.292 1.683 1.00 0.00 C ATOM 469 CG HIS A 30 8.118 2.622 2.372 1.00 0.00 C ATOM 470 ND1 HIS A 30 9.269 3.370 2.511 1.00 0.00 N ATOM 471 CD2 HIS A 30 7.132 3.338 2.962 1.00 0.00 C ATOM 472 CE1 HIS A 30 8.989 4.488 3.157 1.00 0.00 C ATOM 473 NE2 HIS A 30 7.700 4.494 3.442 1.00 0.00 N ATOM 0 H HIS A 30 8.713 0.361 3.927 1.00 0.00 H new ATOM 0 HA HIS A 30 6.220 0.575 2.468 1.00 0.00 H new ATOM 0 HB2 HIS A 30 9.106 0.925 1.571 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.682 1.422 0.679 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.093 3.054 3.041 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.695 5.265 3.409 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.206 5.236 3.938 1.00 0.00 H new ATOM 482 N ASN A 31 8.422 -1.796 1.806 1.00 0.00 N ATOM 483 CA ASN A 31 8.597 -3.080 1.138 1.00 0.00 C ATOM 484 C ASN A 31 8.515 -4.229 2.139 1.00 0.00 C ATOM 485 O ASN A 31 9.527 -4.765 2.590 1.00 0.00 O ATOM 486 CB ASN A 31 9.941 -3.120 0.408 1.00 0.00 C ATOM 487 CG ASN A 31 10.075 -2.010 -0.617 1.00 0.00 C ATOM 488 OD1 ASN A 31 11.028 -1.230 -0.583 1.00 0.00 O ATOM 489 ND2 ASN A 31 9.118 -1.932 -1.534 1.00 0.00 N ATOM 0 H ASN A 31 9.218 -1.505 2.374 1.00 0.00 H new ATOM 0 HA ASN A 31 7.793 -3.196 0.411 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.749 -3.039 1.135 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.054 -4.084 -0.088 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.154 -1.205 -2.248 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.347 -2.599 -1.524 1.00 0.00 H new ATOM 496 N PRO A 32 7.281 -4.618 2.492 1.00 0.00 N ATOM 497 CA PRO A 32 7.038 -5.708 3.442 1.00 0.00 C ATOM 498 C PRO A 32 7.409 -7.072 2.867 1.00 0.00 C ATOM 499 O PRO A 32 7.250 -7.316 1.671 1.00 0.00 O ATOM 500 CB PRO A 32 5.530 -5.628 3.694 1.00 0.00 C ATOM 501 CG PRO A 32 4.974 -4.983 2.471 1.00 0.00 C ATOM 502 CD PRO A 32 6.029 -4.025 1.993 1.00 0.00 C ATOM 0 HA PRO A 32 7.642 -5.605 4.344 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.102 -6.618 3.849 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.308 -5.042 4.586 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.747 -5.726 1.707 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.044 -4.460 2.694 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.031 -3.939 0.906 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.872 -3.023 2.392 1.00 0.00 H new ATOM 510 N ASP A 33 7.904 -7.955 3.727 1.00 0.00 N ATOM 511 CA ASP A 33 8.296 -9.295 3.304 1.00 0.00 C ATOM 512 C ASP A 33 7.131 -10.270 3.437 1.00 0.00 C ATOM 513 O ASP A 33 6.138 -9.980 4.104 1.00 0.00 O ATOM 514 CB ASP A 33 9.485 -9.786 4.132 1.00 0.00 C ATOM 515 CG ASP A 33 10.184 -10.971 3.495 1.00 0.00 C ATOM 516 OD1 ASP A 33 10.082 -11.127 2.261 1.00 0.00 O ATOM 517 OD2 ASP A 33 10.833 -11.743 4.232 1.00 0.00 O ATOM 0 H ASP A 33 8.043 -7.768 4.720 1.00 0.00 H new ATOM 0 HA ASP A 33 8.588 -9.247 2.255 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.198 -8.971 4.257 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.140 -10.064 5.128 1.00 0.00 H new ATOM 522 N ALA A 34 7.258 -11.428 2.797 1.00 0.00 N ATOM 523 CA ALA A 34 6.216 -12.446 2.843 1.00 0.00 C ATOM 524 C ALA A 34 5.712 -12.648 4.268 1.00 0.00 C ATOM 525 O ALA A 34 4.516 -12.832 4.494 1.00 0.00 O ATOM 526 CB ALA A 34 6.734 -13.757 2.273 1.00 0.00 C ATOM 0 H ALA A 34 8.073 -11.684 2.240 1.00 0.00 H new ATOM 0 HA ALA A 34 5.379 -12.104 2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.945 -14.508 2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.040 -13.608 1.238 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.588 -14.096 2.859 1.00 0.00 H new ATOM 532 N LYS A 35 6.630 -12.616 5.227 1.00 0.00 N ATOM 533 CA LYS A 35 6.280 -12.795 6.631 1.00 0.00 C ATOM 534 C LYS A 35 5.253 -11.758 7.072 1.00 0.00 C ATOM 535 O LYS A 35 4.321 -12.069 7.815 1.00 0.00 O ATOM 536 CB LYS A 35 7.530 -12.695 7.507 1.00 0.00 C ATOM 537 CG LYS A 35 7.392 -13.399 8.846 1.00 0.00 C ATOM 538 CD LYS A 35 6.546 -12.592 9.816 1.00 0.00 C ATOM 539 CE LYS A 35 6.941 -12.862 11.259 1.00 0.00 C ATOM 540 NZ LYS A 35 8.102 -12.029 11.681 1.00 0.00 N ATOM 0 H LYS A 35 7.625 -12.467 5.057 1.00 0.00 H new ATOM 0 HA LYS A 35 5.842 -13.786 6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.376 -13.120 6.968 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.759 -11.643 7.681 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.941 -14.380 8.697 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.380 -13.564 9.275 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.657 -11.529 9.600 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.494 -12.838 9.674 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.092 -12.659 11.912 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.189 -13.917 11.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.341 -12.242 12.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.920 -12.240 11.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.857 -11.022 11.593 1.00 0.00 H new ATOM 554 N ASP A 36 5.427 -10.525 6.608 1.00 0.00 N ATOM 555 CA ASP A 36 4.513 -9.443 6.953 1.00 0.00 C ATOM 556 C ASP A 36 3.265 -9.484 6.077 1.00 0.00 C ATOM 557 O ASP A 36 2.219 -8.946 6.442 1.00 0.00 O ATOM 558 CB ASP A 36 5.212 -8.090 6.803 1.00 0.00 C ATOM 559 CG ASP A 36 6.459 -7.984 7.658 1.00 0.00 C ATOM 560 OD1 ASP A 36 7.537 -8.409 7.192 1.00 0.00 O ATOM 561 OD2 ASP A 36 6.358 -7.476 8.794 1.00 0.00 O ATOM 0 H ASP A 36 6.192 -10.250 5.992 1.00 0.00 H new ATOM 0 HA ASP A 36 4.210 -9.574 7.992 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.478 -7.936 5.757 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.519 -7.294 7.076 1.00 0.00 H new ATOM 566 N LEU A 37 3.383 -10.125 4.919 1.00 0.00 N ATOM 567 CA LEU A 37 2.265 -10.237 3.990 1.00 0.00 C ATOM 568 C LEU A 37 1.240 -11.251 4.489 1.00 0.00 C ATOM 569 O LEU A 37 0.039 -11.101 4.262 1.00 0.00 O ATOM 570 CB LEU A 37 2.767 -10.643 2.603 1.00 0.00 C ATOM 571 CG LEU A 37 3.150 -9.497 1.665 1.00 0.00 C ATOM 572 CD1 LEU A 37 3.706 -10.042 0.359 1.00 0.00 C ATOM 573 CD2 LEU A 37 1.949 -8.599 1.404 1.00 0.00 C ATOM 0 H LEU A 37 4.242 -10.575 4.602 1.00 0.00 H new ATOM 0 HA LEU A 37 1.782 -9.262 3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.636 -11.289 2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.993 -11.239 2.119 1.00 0.00 H new ATOM 0 HG LEU A 37 3.926 -8.901 2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.973 -9.213 -0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.592 -10.643 0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.952 -10.661 -0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.239 -7.789 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.152 -9.182 0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.595 -8.182 2.347 1.00 0.00 H new ATOM 585 N LYS A 38 1.722 -12.283 5.174 1.00 0.00 N ATOM 586 CA LYS A 38 0.849 -13.321 5.709 1.00 0.00 C ATOM 587 C LYS A 38 0.161 -12.848 6.986 1.00 0.00 C ATOM 588 O LYS A 38 -0.964 -13.250 7.280 1.00 0.00 O ATOM 589 CB LYS A 38 1.650 -14.594 5.991 1.00 0.00 C ATOM 590 CG LYS A 38 2.726 -14.415 7.048 1.00 0.00 C ATOM 591 CD LYS A 38 3.244 -15.752 7.549 1.00 0.00 C ATOM 592 CE LYS A 38 4.316 -15.572 8.613 1.00 0.00 C ATOM 593 NZ LYS A 38 4.556 -16.828 9.377 1.00 0.00 N ATOM 0 H LYS A 38 2.713 -12.423 5.372 1.00 0.00 H new ATOM 0 HA LYS A 38 0.084 -13.538 4.963 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.966 -15.380 6.311 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.115 -14.933 5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.551 -13.836 6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.324 -13.843 7.884 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.418 -16.333 7.958 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.651 -16.322 6.714 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.245 -15.250 8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.016 -14.781 9.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.293 -16.664 10.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.676 -17.122 9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.867 -17.577 8.725 1.00 0.00 H new ATOM 607 N GLN A 39 0.845 -11.992 7.738 1.00 0.00 N ATOM 608 CA GLN A 39 0.298 -11.464 8.983 1.00 0.00 C ATOM 609 C GLN A 39 -0.862 -10.513 8.707 1.00 0.00 C ATOM 610 O GLN A 39 -1.867 -10.520 9.419 1.00 0.00 O ATOM 611 CB GLN A 39 1.387 -10.741 9.777 1.00 0.00 C ATOM 612 CG GLN A 39 2.390 -11.681 10.428 1.00 0.00 C ATOM 613 CD GLN A 39 3.253 -10.987 11.463 1.00 0.00 C ATOM 614 OE1 GLN A 39 3.828 -9.931 11.203 1.00 0.00 O ATOM 615 NE2 GLN A 39 3.348 -11.580 12.649 1.00 0.00 N ATOM 0 H GLN A 39 1.778 -11.649 7.508 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.075 -12.302 9.571 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.918 -10.060 9.112 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.918 -10.132 10.550 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.856 -12.506 10.900 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.029 -12.114 9.658 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.854 -12.456 12.822 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.915 -11.159 13.386 1.00 0.00 H new ATOM 624 N LEU A 40 -0.717 -9.694 7.671 1.00 0.00 N ATOM 625 CA LEU A 40 -1.752 -8.736 7.301 1.00 0.00 C ATOM 626 C LEU A 40 -2.958 -9.445 6.693 1.00 0.00 C ATOM 627 O LEU A 40 -4.104 -9.102 6.983 1.00 0.00 O ATOM 628 CB LEU A 40 -1.196 -7.711 6.311 1.00 0.00 C ATOM 629 CG LEU A 40 -0.300 -6.624 6.903 1.00 0.00 C ATOM 630 CD1 LEU A 40 0.534 -5.966 5.814 1.00 0.00 C ATOM 631 CD2 LEU A 40 -1.135 -5.585 7.639 1.00 0.00 C ATOM 0 H LEU A 40 0.108 -9.675 7.072 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.075 -8.220 8.205 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.630 -8.244 5.547 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.035 -7.229 5.809 1.00 0.00 H new ATOM 0 HG LEU A 40 0.377 -7.090 7.619 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.165 -5.195 6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.161 -6.716 5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.126 -5.515 5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.480 -4.819 8.054 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.837 -5.124 6.944 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.686 -6.067 8.446 1.00 0.00 H new ATOM 643 N ALA A 41 -2.691 -10.437 5.851 1.00 0.00 N ATOM 644 CA ALA A 41 -3.754 -11.198 5.205 1.00 0.00 C ATOM 645 C ALA A 41 -4.829 -11.602 6.210 1.00 0.00 C ATOM 646 O ALA A 41 -5.981 -11.827 5.842 1.00 0.00 O ATOM 647 CB ALA A 41 -3.181 -12.430 4.520 1.00 0.00 C ATOM 0 H ALA A 41 -1.748 -10.733 5.600 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.217 -10.560 4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.986 -12.988 4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.455 -12.123 3.767 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.690 -13.063 5.260 1.00 0.00 H new ATOM 653 N GLN A 42 -4.442 -11.690 7.479 1.00 0.00 N ATOM 654 CA GLN A 42 -5.373 -12.068 8.535 1.00 0.00 C ATOM 655 C GLN A 42 -5.942 -10.833 9.227 1.00 0.00 C ATOM 656 O GLN A 42 -7.156 -10.694 9.373 1.00 0.00 O ATOM 657 CB GLN A 42 -4.677 -12.966 9.559 1.00 0.00 C ATOM 658 CG GLN A 42 -4.349 -14.352 9.030 1.00 0.00 C ATOM 659 CD GLN A 42 -5.493 -15.331 9.207 1.00 0.00 C ATOM 660 OE1 GLN A 42 -6.267 -15.574 8.279 1.00 0.00 O ATOM 661 NE2 GLN A 42 -5.607 -15.900 10.401 1.00 0.00 N ATOM 0 H GLN A 42 -3.492 -11.505 7.800 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.196 -12.618 8.080 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.756 -12.484 9.886 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.315 -13.063 10.437 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.096 -14.282 7.972 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.467 -14.733 9.544 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.944 -15.670 11.141 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.358 -16.567 10.578 1.00 0.00 H new ATOM 670 N LYS A 43 -5.056 -9.938 9.650 1.00 0.00 N ATOM 671 CA LYS A 43 -5.469 -8.713 10.326 1.00 0.00 C ATOM 672 C LYS A 43 -6.516 -7.966 9.507 1.00 0.00 C ATOM 673 O LYS A 43 -7.241 -7.119 10.030 1.00 0.00 O ATOM 674 CB LYS A 43 -4.259 -7.810 10.572 1.00 0.00 C ATOM 675 CG LYS A 43 -3.280 -8.367 11.591 1.00 0.00 C ATOM 676 CD LYS A 43 -2.149 -7.392 11.870 1.00 0.00 C ATOM 677 CE LYS A 43 -0.983 -7.602 10.916 1.00 0.00 C ATOM 678 NZ LYS A 43 0.236 -6.872 11.362 1.00 0.00 N ATOM 0 H LYS A 43 -4.047 -10.038 9.537 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.911 -8.987 11.284 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.737 -7.652 9.628 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.607 -6.835 10.911 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.807 -8.589 12.519 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.868 -9.308 11.225 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.517 -6.370 11.777 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.806 -7.515 12.897 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.762 -8.667 10.841 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.264 -7.264 9.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.008 -7.040 10.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.033 -5.853 11.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.520 -7.212 12.303 1.00 0.00 H new ATOM 692 N THR A 44 -6.594 -8.287 8.219 1.00 0.00 N ATOM 693 CA THR A 44 -7.552 -7.647 7.328 1.00 0.00 C ATOM 694 C THR A 44 -8.539 -8.662 6.762 1.00 0.00 C ATOM 695 O THR A 44 -9.722 -8.366 6.596 1.00 0.00 O ATOM 696 CB THR A 44 -6.845 -6.931 6.162 1.00 0.00 C ATOM 697 OG1 THR A 44 -6.165 -7.886 5.340 1.00 0.00 O ATOM 698 CG2 THR A 44 -5.850 -5.903 6.682 1.00 0.00 C ATOM 0 H THR A 44 -6.004 -8.987 7.770 1.00 0.00 H new ATOM 0 HA THR A 44 -8.092 -6.910 7.922 1.00 0.00 H new ATOM 0 HB THR A 44 -7.601 -6.415 5.570 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.457 -8.320 5.860 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.363 -5.410 5.841 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.375 -5.161 7.283 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.099 -6.401 7.295 1.00 0.00 H new ATOM 706 N GLY A 45 -8.045 -9.861 6.467 1.00 0.00 N ATOM 707 CA GLY A 45 -8.898 -10.902 5.923 1.00 0.00 C ATOM 708 C GLY A 45 -8.634 -11.158 4.453 1.00 0.00 C ATOM 709 O GLY A 45 -8.974 -12.220 3.930 1.00 0.00 O ATOM 0 H GLY A 45 -7.069 -10.130 6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.743 -11.824 6.483 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.942 -10.619 6.058 1.00 0.00 H new ATOM 713 N LEU A 46 -8.028 -10.184 3.784 1.00 0.00 N ATOM 714 CA LEU A 46 -7.719 -10.309 2.364 1.00 0.00 C ATOM 715 C LEU A 46 -6.606 -11.327 2.136 1.00 0.00 C ATOM 716 O LEU A 46 -5.965 -11.785 3.081 1.00 0.00 O ATOM 717 CB LEU A 46 -7.309 -8.951 1.789 1.00 0.00 C ATOM 718 CG LEU A 46 -8.220 -7.773 2.138 1.00 0.00 C ATOM 719 CD1 LEU A 46 -7.468 -6.458 1.997 1.00 0.00 C ATOM 720 CD2 LEU A 46 -9.459 -7.778 1.255 1.00 0.00 C ATOM 0 H LEU A 46 -7.741 -9.299 4.202 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.616 -10.658 1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.302 -8.721 2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.260 -9.038 0.704 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.537 -7.878 3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.131 -5.631 2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.611 -6.455 2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.122 -6.345 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.096 -6.933 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.161 -7.697 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.009 -8.707 1.405 1.00 0.00 H new ATOM 732 N THR A 47 -6.382 -11.676 0.873 1.00 0.00 N ATOM 733 CA THR A 47 -5.346 -12.639 0.519 1.00 0.00 C ATOM 734 C THR A 47 -4.024 -11.940 0.222 1.00 0.00 C ATOM 735 O THR A 47 -3.958 -10.712 0.165 1.00 0.00 O ATOM 736 CB THR A 47 -5.756 -13.481 -0.704 1.00 0.00 C ATOM 737 OG1 THR A 47 -4.965 -14.673 -0.765 1.00 0.00 O ATOM 738 CG2 THR A 47 -5.582 -12.685 -1.990 1.00 0.00 C ATOM 0 H THR A 47 -6.904 -11.306 0.078 1.00 0.00 H new ATOM 0 HA THR A 47 -5.220 -13.298 1.378 1.00 0.00 H new ATOM 0 HB THR A 47 -6.808 -13.748 -0.599 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.233 -15.204 -1.544 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.877 -13.299 -2.841 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.206 -11.792 -1.953 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.537 -12.393 -2.099 1.00 0.00 H new ATOM 746 N LYS A 48 -2.973 -12.730 0.032 1.00 0.00 N ATOM 747 CA LYS A 48 -1.651 -12.188 -0.262 1.00 0.00 C ATOM 748 C LYS A 48 -1.650 -11.450 -1.597 1.00 0.00 C ATOM 749 O LYS A 48 -1.116 -10.346 -1.705 1.00 0.00 O ATOM 750 CB LYS A 48 -0.611 -13.311 -0.287 1.00 0.00 C ATOM 751 CG LYS A 48 0.782 -12.859 0.117 1.00 0.00 C ATOM 752 CD LYS A 48 1.567 -13.985 0.766 1.00 0.00 C ATOM 753 CE LYS A 48 2.302 -14.822 -0.270 1.00 0.00 C ATOM 754 NZ LYS A 48 2.623 -16.183 0.243 1.00 0.00 N ATOM 0 H LYS A 48 -3.011 -13.748 0.076 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.393 -11.479 0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.934 -14.108 0.382 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.570 -13.734 -1.291 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.318 -12.500 -0.762 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.707 -12.021 0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.284 -13.569 1.474 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.889 -14.621 1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.690 -14.907 -1.168 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.223 -14.316 -0.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.123 -16.722 -0.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.228 -16.103 1.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.742 -16.676 0.495 1.00 0.00 H new ATOM 768 N ARG A 49 -2.252 -12.066 -2.609 1.00 0.00 N ATOM 769 CA ARG A 49 -2.321 -11.466 -3.936 1.00 0.00 C ATOM 770 C ARG A 49 -2.895 -10.055 -3.866 1.00 0.00 C ATOM 771 O ARG A 49 -2.458 -9.159 -4.589 1.00 0.00 O ATOM 772 CB ARG A 49 -3.175 -12.330 -4.865 1.00 0.00 C ATOM 773 CG ARG A 49 -3.731 -11.574 -6.061 1.00 0.00 C ATOM 774 CD ARG A 49 -5.090 -10.965 -5.751 1.00 0.00 C ATOM 775 NE ARG A 49 -5.633 -10.229 -6.891 1.00 0.00 N ATOM 776 CZ ARG A 49 -6.842 -9.681 -6.901 1.00 0.00 C ATOM 777 NH1 ARG A 49 -7.630 -9.782 -5.840 1.00 0.00 N ATOM 778 NH2 ARG A 49 -7.265 -9.027 -7.976 1.00 0.00 N ATOM 0 H ARG A 49 -2.699 -12.980 -2.535 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.308 -11.408 -4.334 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.575 -13.167 -5.222 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.003 -12.752 -4.296 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.035 -10.786 -6.351 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.819 -12.250 -6.911 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.785 -11.755 -5.465 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.000 -10.295 -4.896 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.052 -10.131 -7.724 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.308 -10.282 -5.011 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.558 -9.359 -5.852 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.661 -8.946 -8.794 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.194 -8.606 -7.984 1.00 0.00 H new ATOM 792 N VAL A 50 -3.878 -9.864 -2.992 1.00 0.00 N ATOM 793 CA VAL A 50 -4.512 -8.562 -2.826 1.00 0.00 C ATOM 794 C VAL A 50 -3.597 -7.596 -2.080 1.00 0.00 C ATOM 795 O VAL A 50 -3.357 -6.477 -2.533 1.00 0.00 O ATOM 796 CB VAL A 50 -5.846 -8.679 -2.066 1.00 0.00 C ATOM 797 CG1 VAL A 50 -6.469 -7.306 -1.865 1.00 0.00 C ATOM 798 CG2 VAL A 50 -6.801 -9.603 -2.806 1.00 0.00 C ATOM 0 H VAL A 50 -4.253 -10.595 -2.388 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.706 -8.175 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.648 -9.109 -1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.411 -7.409 -1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.789 -6.678 -1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.655 -6.845 -2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.739 -9.674 -2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.995 -9.204 -3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.355 -10.594 -2.892 1.00 0.00 H new ATOM 808 N LEU A 51 -3.090 -8.036 -0.935 1.00 0.00 N ATOM 809 CA LEU A 51 -2.201 -7.212 -0.123 1.00 0.00 C ATOM 810 C LEU A 51 -0.989 -6.760 -0.932 1.00 0.00 C ATOM 811 O LEU A 51 -0.504 -5.641 -0.768 1.00 0.00 O ATOM 812 CB LEU A 51 -1.743 -7.985 1.114 1.00 0.00 C ATOM 813 CG LEU A 51 -2.852 -8.573 1.987 1.00 0.00 C ATOM 814 CD1 LEU A 51 -2.372 -9.840 2.678 1.00 0.00 C ATOM 815 CD2 LEU A 51 -3.326 -7.551 3.010 1.00 0.00 C ATOM 0 H LEU A 51 -3.279 -8.960 -0.547 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.754 -6.328 0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.094 -8.798 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.138 -7.320 1.730 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.695 -8.831 1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.175 -10.244 3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.084 -10.577 1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.513 -9.608 3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.115 -7.988 3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.491 -7.260 3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.712 -6.672 2.494 1.00 0.00 H new ATOM 827 N GLN A 52 -0.508 -7.637 -1.808 1.00 0.00 N ATOM 828 CA GLN A 52 0.646 -7.327 -2.643 1.00 0.00 C ATOM 829 C GLN A 52 0.317 -6.217 -3.635 1.00 0.00 C ATOM 830 O GLN A 52 1.047 -5.231 -3.744 1.00 0.00 O ATOM 831 CB GLN A 52 1.108 -8.577 -3.393 1.00 0.00 C ATOM 832 CG GLN A 52 2.126 -9.407 -2.626 1.00 0.00 C ATOM 833 CD GLN A 52 3.512 -8.793 -2.645 1.00 0.00 C ATOM 834 OE1 GLN A 52 3.713 -7.671 -2.178 1.00 0.00 O ATOM 835 NE2 GLN A 52 4.477 -9.528 -3.183 1.00 0.00 N ATOM 0 H GLN A 52 -0.900 -8.567 -1.957 1.00 0.00 H new ATOM 0 HA GLN A 52 1.451 -6.982 -1.994 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.240 -9.198 -3.617 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.541 -8.278 -4.348 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.795 -9.517 -1.593 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.170 -10.408 -3.055 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.265 -10.453 -3.558 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.431 -9.168 -3.221 1.00 0.00 H new ATOM 844 N VAL A 53 -0.786 -6.383 -4.358 1.00 0.00 N ATOM 845 CA VAL A 53 -1.212 -5.395 -5.341 1.00 0.00 C ATOM 846 C VAL A 53 -1.442 -4.036 -4.690 1.00 0.00 C ATOM 847 O VAL A 53 -0.766 -3.058 -5.013 1.00 0.00 O ATOM 848 CB VAL A 53 -2.504 -5.834 -6.056 1.00 0.00 C ATOM 849 CG1 VAL A 53 -2.941 -4.782 -7.064 1.00 0.00 C ATOM 850 CG2 VAL A 53 -2.306 -7.183 -6.732 1.00 0.00 C ATOM 0 H VAL A 53 -1.401 -7.193 -4.281 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.410 -5.313 -6.074 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.293 -5.938 -5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.855 -5.110 -7.559 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.125 -3.839 -6.549 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.156 -4.642 -7.807 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.228 -7.478 -7.232 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.503 -7.108 -7.466 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.044 -7.930 -5.983 1.00 0.00 H new ATOM 860 N TRP A 54 -2.400 -3.980 -3.771 1.00 0.00 N ATOM 861 CA TRP A 54 -2.719 -2.740 -3.073 1.00 0.00 C ATOM 862 C TRP A 54 -1.450 -1.967 -2.729 1.00 0.00 C ATOM 863 O TRP A 54 -1.233 -0.860 -3.222 1.00 0.00 O ATOM 864 CB TRP A 54 -3.511 -3.037 -1.798 1.00 0.00 C ATOM 865 CG TRP A 54 -3.983 -1.803 -1.092 1.00 0.00 C ATOM 866 CD1 TRP A 54 -5.184 -1.173 -1.256 1.00 0.00 C ATOM 867 CD2 TRP A 54 -3.264 -1.049 -0.110 1.00 0.00 C ATOM 868 NE1 TRP A 54 -5.253 -0.073 -0.436 1.00 0.00 N ATOM 869 CE2 TRP A 54 -4.088 0.024 0.279 1.00 0.00 C ATOM 870 CE3 TRP A 54 -2.004 -1.178 0.481 1.00 0.00 C ATOM 871 CZ2 TRP A 54 -3.692 0.962 1.228 1.00 0.00 C ATOM 872 CZ3 TRP A 54 -1.611 -0.246 1.423 1.00 0.00 C ATOM 873 CH2 TRP A 54 -2.453 0.812 1.790 1.00 0.00 C ATOM 0 H TRP A 54 -2.969 -4.779 -3.492 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.328 -2.126 -3.736 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.373 -3.655 -2.050 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.888 -3.620 -1.119 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.964 -1.493 -1.931 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.044 0.568 -0.370 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.349 -1.992 0.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.339 1.779 1.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.638 -0.335 1.884 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.118 1.523 2.531 1.00 0.00 H new ATOM 884 N PHE A 55 -0.614 -2.558 -1.881 1.00 0.00 N ATOM 885 CA PHE A 55 0.634 -1.923 -1.471 1.00 0.00 C ATOM 886 C PHE A 55 1.391 -1.383 -2.681 1.00 0.00 C ATOM 887 O PHE A 55 1.779 -0.215 -2.710 1.00 0.00 O ATOM 888 CB PHE A 55 1.510 -2.919 -0.709 1.00 0.00 C ATOM 889 CG PHE A 55 1.266 -2.920 0.773 1.00 0.00 C ATOM 890 CD1 PHE A 55 0.122 -3.496 1.300 1.00 0.00 C ATOM 891 CD2 PHE A 55 2.181 -2.342 1.639 1.00 0.00 C ATOM 892 CE1 PHE A 55 -0.105 -3.498 2.664 1.00 0.00 C ATOM 893 CE2 PHE A 55 1.960 -2.342 3.004 1.00 0.00 C ATOM 894 CZ PHE A 55 0.815 -2.920 3.517 1.00 0.00 C ATOM 0 H PHE A 55 -0.778 -3.475 -1.465 1.00 0.00 H new ATOM 0 HA PHE A 55 0.391 -1.088 -0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.331 -3.921 -1.099 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.558 -2.686 -0.896 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.601 -3.949 0.638 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.077 -1.886 1.243 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.001 -3.951 3.062 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.682 -1.891 3.668 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.640 -2.920 4.583 1.00 0.00 H new ATOM 904 N GLN A 56 1.600 -2.241 -3.673 1.00 0.00 N ATOM 905 CA GLN A 56 2.312 -1.850 -4.884 1.00 0.00 C ATOM 906 C GLN A 56 1.672 -0.621 -5.520 1.00 0.00 C ATOM 907 O GLN A 56 2.366 0.280 -5.988 1.00 0.00 O ATOM 908 CB GLN A 56 2.331 -3.006 -5.886 1.00 0.00 C ATOM 909 CG GLN A 56 3.255 -4.144 -5.485 1.00 0.00 C ATOM 910 CD GLN A 56 2.807 -5.483 -6.037 1.00 0.00 C ATOM 911 OE1 GLN A 56 1.755 -5.585 -6.669 1.00 0.00 O ATOM 912 NE2 GLN A 56 3.604 -6.517 -5.801 1.00 0.00 N ATOM 0 H GLN A 56 1.287 -3.212 -3.663 1.00 0.00 H new ATOM 0 HA GLN A 56 3.337 -1.601 -4.608 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.319 -3.394 -6.000 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.638 -2.626 -6.860 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.264 -3.929 -5.838 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.303 -4.202 -4.398 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.466 -6.386 -5.273 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.354 -7.443 -6.148 1.00 0.00 H new ATOM 921 N ASN A 57 0.343 -0.592 -5.533 1.00 0.00 N ATOM 922 CA ASN A 57 -0.391 0.527 -6.113 1.00 0.00 C ATOM 923 C ASN A 57 -0.216 1.787 -5.271 1.00 0.00 C ATOM 924 O ASN A 57 -0.313 2.904 -5.778 1.00 0.00 O ATOM 925 CB ASN A 57 -1.877 0.182 -6.232 1.00 0.00 C ATOM 926 CG ASN A 57 -2.205 -0.518 -7.536 1.00 0.00 C ATOM 927 OD1 ASN A 57 -2.855 0.053 -8.414 1.00 0.00 O ATOM 928 ND2 ASN A 57 -1.756 -1.759 -7.671 1.00 0.00 N ATOM 0 H ASN A 57 -0.247 -1.330 -5.149 1.00 0.00 H new ATOM 0 HA ASN A 57 0.012 0.717 -7.108 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.167 -0.456 -5.397 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.467 1.095 -6.155 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.945 -2.279 -8.528 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.222 -2.193 -6.918 1.00 0.00 H new ATOM 935 N ALA A 58 0.042 1.599 -3.980 1.00 0.00 N ATOM 936 CA ALA A 58 0.233 2.720 -3.068 1.00 0.00 C ATOM 937 C ALA A 58 1.570 3.411 -3.320 1.00 0.00 C ATOM 938 O ALA A 58 1.702 4.619 -3.119 1.00 0.00 O ATOM 939 CB ALA A 58 0.147 2.246 -1.625 1.00 0.00 C ATOM 0 H ALA A 58 0.123 0.681 -3.543 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.561 3.444 -3.250 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.291 3.093 -0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.833 1.804 -1.445 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.921 1.501 -1.440 1.00 0.00 H new ATOM 945 N ARG A 59 2.556 2.638 -3.762 1.00 0.00 N ATOM 946 CA ARG A 59 3.882 3.177 -4.039 1.00 0.00 C ATOM 947 C ARG A 59 3.867 4.033 -5.302 1.00 0.00 C ATOM 948 O ARG A 59 4.649 4.974 -5.435 1.00 0.00 O ATOM 949 CB ARG A 59 4.896 2.041 -4.192 1.00 0.00 C ATOM 950 CG ARG A 59 5.124 1.253 -2.913 1.00 0.00 C ATOM 951 CD ARG A 59 6.168 1.917 -2.028 1.00 0.00 C ATOM 952 NE ARG A 59 7.414 2.170 -2.746 1.00 0.00 N ATOM 953 CZ ARG A 59 8.437 2.840 -2.229 1.00 0.00 C ATOM 954 NH1 ARG A 59 8.364 3.319 -0.995 1.00 0.00 N ATOM 955 NH2 ARG A 59 9.538 3.030 -2.946 1.00 0.00 N ATOM 0 H ARG A 59 2.462 1.637 -3.936 1.00 0.00 H new ATOM 0 HA ARG A 59 4.175 3.805 -3.198 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.552 1.361 -4.971 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.846 2.456 -4.527 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.185 1.165 -2.366 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.445 0.241 -3.160 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.773 2.858 -1.645 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.369 1.281 -1.166 1.00 0.00 H new ATOM 0 HE ARG A 59 7.503 1.812 -3.697 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.520 3.173 -0.440 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.151 3.833 -0.600 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.599 2.661 -3.895 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.323 3.545 -2.548 1.00 0.00 H new