USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=9 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 Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.018 X(o=-0.018,f=-0.018) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -2.39! C(o=-2.4!,f=-3.5!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -137:sc= -0.744 (180deg=-3.91!) USER MOD Single : A 23 LYS NZ :NH3+ -118:sc= -0.966 (180deg=-1.43) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 150:sc= -0.268 USER MOD Single : A 29 ASN : amide:sc= -1.05 K(o=-1.1,f=-0.096) USER MOD Single : A 30 HIS : no HD1:sc= -0.366 X(o=-0.37,f=0.07) USER MOD Single : A 31 ASN : amide:sc= -2.3 K(o=-2.3,f=-0.43) USER MOD Single : A 35 LYS NZ :NH3+ -110:sc= -0.56 (180deg=-2.21!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.58) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -64:sc= 0.769 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0694 USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= -0.481 (180deg=-0.68) USER MOD Single : A 52 GLN : amide:sc= -2.51! K(o=-2.5!,f=-1.2) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 57 ASN : amide:sc= -0.13 K(o=-0.13,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 178 N PHE A 14 -12.542 -1.105 -1.060 1.00 0.00 N ATOM 179 CA PHE A 14 -12.101 -1.705 0.194 1.00 0.00 C ATOM 180 C PHE A 14 -12.841 -1.092 1.380 1.00 0.00 C ATOM 181 O PHE A 14 -13.664 -0.191 1.215 1.00 0.00 O ATOM 182 CB PHE A 14 -10.592 -1.521 0.370 1.00 0.00 C ATOM 183 CG PHE A 14 -9.777 -2.219 -0.680 1.00 0.00 C ATOM 184 CD1 PHE A 14 -9.777 -3.602 -0.770 1.00 0.00 C ATOM 185 CD2 PHE A 14 -9.009 -1.493 -1.576 1.00 0.00 C ATOM 186 CE1 PHE A 14 -9.029 -4.248 -1.736 1.00 0.00 C ATOM 187 CE2 PHE A 14 -8.258 -2.134 -2.544 1.00 0.00 C ATOM 188 CZ PHE A 14 -8.267 -3.513 -2.622 1.00 0.00 C ATOM 0 HA PHE A 14 -12.328 -2.770 0.157 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.359 -0.456 0.351 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.301 -1.894 1.352 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -10.369 -4.182 -0.077 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.997 -0.415 -1.518 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.041 -5.326 -1.798 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.665 -1.557 -3.238 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.679 -4.016 -3.375 1.00 0.00 H new ATOM 198 N LYS A 15 -12.543 -1.588 2.576 1.00 0.00 N ATOM 199 CA LYS A 15 -13.179 -1.091 3.790 1.00 0.00 C ATOM 200 C LYS A 15 -12.190 -0.291 4.632 1.00 0.00 C ATOM 201 O LYS A 15 -10.987 -0.552 4.611 1.00 0.00 O ATOM 202 CB LYS A 15 -13.739 -2.254 4.611 1.00 0.00 C ATOM 203 CG LYS A 15 -14.552 -3.242 3.791 1.00 0.00 C ATOM 204 CD LYS A 15 -15.829 -2.609 3.262 1.00 0.00 C ATOM 205 CE LYS A 15 -16.934 -3.641 3.096 1.00 0.00 C ATOM 206 NZ LYS A 15 -18.283 -3.013 3.092 1.00 0.00 N ATOM 0 H LYS A 15 -11.865 -2.334 2.730 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.998 -0.434 3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.913 -2.783 5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.365 -1.856 5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.952 -3.605 2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.801 -4.108 4.405 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.159 -1.827 3.946 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.629 -2.130 2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.785 -4.186 2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.875 -4.370 3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.008 -3.749 2.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.436 -2.514 3.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.349 -2.336 2.305 1.00 0.00 H new ATOM 220 N HIS A 16 -12.706 0.685 5.375 1.00 0.00 N ATOM 221 CA HIS A 16 -11.868 1.521 6.226 1.00 0.00 C ATOM 222 C HIS A 16 -11.281 0.709 7.377 1.00 0.00 C ATOM 223 O HIS A 16 -10.430 1.196 8.123 1.00 0.00 O ATOM 224 CB HIS A 16 -12.677 2.696 6.777 1.00 0.00 C ATOM 225 CG HIS A 16 -13.407 3.468 5.721 1.00 0.00 C ATOM 226 ND1 HIS A 16 -12.767 4.132 4.696 1.00 0.00 N ATOM 227 CD2 HIS A 16 -14.731 3.678 5.535 1.00 0.00 C ATOM 228 CE1 HIS A 16 -13.666 4.718 3.925 1.00 0.00 C ATOM 229 NE2 HIS A 16 -14.865 4.458 4.413 1.00 0.00 N ATOM 0 H HIS A 16 -13.699 0.915 5.404 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.047 1.906 5.620 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.397 2.321 7.505 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.006 3.370 7.310 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -15.533 3.302 6.154 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -13.456 5.309 3.046 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -15.748 4.784 4.020 1.00 0.00 H new ATOM 238 N HIS A 17 -11.740 -0.530 7.515 1.00 0.00 N ATOM 239 CA HIS A 17 -11.260 -1.410 8.575 1.00 0.00 C ATOM 240 C HIS A 17 -9.984 -2.129 8.148 1.00 0.00 C ATOM 241 O HIS A 17 -8.911 -1.893 8.703 1.00 0.00 O ATOM 242 CB HIS A 17 -12.335 -2.431 8.946 1.00 0.00 C ATOM 243 CG HIS A 17 -13.648 -1.811 9.317 1.00 0.00 C ATOM 244 ND1 HIS A 17 -13.869 -1.183 10.524 1.00 0.00 N ATOM 245 CD2 HIS A 17 -14.811 -1.723 8.630 1.00 0.00 C ATOM 246 CE1 HIS A 17 -15.112 -0.738 10.565 1.00 0.00 C ATOM 247 NE2 HIS A 17 -15.705 -1.052 9.428 1.00 0.00 N ATOM 0 H HIS A 17 -12.444 -0.948 6.906 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.036 -0.797 9.448 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.487 -3.108 8.105 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -11.979 -3.034 9.781 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -15.001 -2.109 7.639 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.566 -0.207 11.389 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.670 -0.832 9.182 1.00 0.00 H new ATOM 256 N GLN A 18 -10.109 -3.009 7.159 1.00 0.00 N ATOM 257 CA GLN A 18 -8.967 -3.763 6.660 1.00 0.00 C ATOM 258 C GLN A 18 -7.818 -2.831 6.290 1.00 0.00 C ATOM 259 O GLN A 18 -6.658 -3.104 6.601 1.00 0.00 O ATOM 260 CB GLN A 18 -9.372 -4.599 5.444 1.00 0.00 C ATOM 261 CG GLN A 18 -10.391 -3.914 4.548 1.00 0.00 C ATOM 262 CD GLN A 18 -10.259 -4.325 3.095 1.00 0.00 C ATOM 263 OE1 GLN A 18 -10.967 -5.215 2.622 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.350 -3.677 2.375 1.00 0.00 N ATOM 0 H GLN A 18 -10.990 -3.216 6.688 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.629 -4.429 7.454 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.482 -4.829 4.858 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.782 -5.549 5.787 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.395 -4.151 4.899 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.272 -2.834 4.628 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.784 -2.946 2.806 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.218 -3.910 1.391 1.00 0.00 H new ATOM 273 N LEU A 19 -8.148 -1.729 5.623 1.00 0.00 N ATOM 274 CA LEU A 19 -7.143 -0.756 5.211 1.00 0.00 C ATOM 275 C LEU A 19 -6.470 -0.121 6.423 1.00 0.00 C ATOM 276 O LEU A 19 -5.261 0.117 6.420 1.00 0.00 O ATOM 277 CB LEU A 19 -7.783 0.329 4.342 1.00 0.00 C ATOM 278 CG LEU A 19 -7.808 0.056 2.838 1.00 0.00 C ATOM 279 CD1 LEU A 19 -8.571 1.152 2.109 1.00 0.00 C ATOM 280 CD2 LEU A 19 -6.392 -0.062 2.294 1.00 0.00 C ATOM 0 H LEU A 19 -9.103 -1.488 5.357 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.383 -1.279 4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.808 0.480 4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.250 1.264 4.512 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.321 -0.890 2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.578 0.941 1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.596 1.189 2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.086 2.112 2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.429 -0.256 1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.854 0.868 2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.877 -0.883 2.794 1.00 0.00 H new ATOM 292 N ARG A 20 -7.258 0.149 7.458 1.00 0.00 N ATOM 293 CA ARG A 20 -6.738 0.755 8.678 1.00 0.00 C ATOM 294 C ARG A 20 -5.460 0.054 9.131 1.00 0.00 C ATOM 295 O ARG A 20 -4.534 0.691 9.634 1.00 0.00 O ATOM 296 CB ARG A 20 -7.786 0.695 9.790 1.00 0.00 C ATOM 297 CG ARG A 20 -7.327 1.327 11.094 1.00 0.00 C ATOM 298 CD ARG A 20 -8.498 1.893 11.882 1.00 0.00 C ATOM 299 NE ARG A 20 -8.126 2.226 13.254 1.00 0.00 N ATOM 300 CZ ARG A 20 -8.994 2.630 14.174 1.00 0.00 C ATOM 301 NH1 ARG A 20 -10.279 2.750 13.870 1.00 0.00 N ATOM 302 NH2 ARG A 20 -8.578 2.916 15.402 1.00 0.00 N ATOM 0 H ARG A 20 -8.260 -0.042 7.476 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.504 1.798 8.464 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.692 1.198 9.451 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.049 -0.347 9.974 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.807 0.583 11.697 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.612 2.122 10.882 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.874 2.786 11.382 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.312 1.168 11.893 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.145 2.144 13.521 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.603 2.532 12.928 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.944 3.061 14.578 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.590 2.826 15.640 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.246 3.226 16.107 1.00 0.00 H new ATOM 316 N THR A 21 -5.417 -1.262 8.949 1.00 0.00 N ATOM 317 CA THR A 21 -4.255 -2.050 9.340 1.00 0.00 C ATOM 318 C THR A 21 -3.147 -1.951 8.298 1.00 0.00 C ATOM 319 O THR A 21 -1.964 -1.916 8.636 1.00 0.00 O ATOM 320 CB THR A 21 -4.623 -3.532 9.542 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.301 -3.703 10.791 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.378 -4.408 9.511 1.00 0.00 C ATOM 0 H THR A 21 -6.174 -1.805 8.533 1.00 0.00 H new ATOM 0 HA THR A 21 -3.899 -1.640 10.285 1.00 0.00 H new ATOM 0 HB THR A 21 -5.281 -3.834 8.728 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.533 -4.648 10.911 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.663 -5.450 9.656 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.880 -4.298 8.548 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.699 -4.103 10.307 1.00 0.00 H new ATOM 330 N MET A 22 -3.538 -1.905 7.028 1.00 0.00 N ATOM 331 CA MET A 22 -2.577 -1.808 5.936 1.00 0.00 C ATOM 332 C MET A 22 -1.903 -0.438 5.924 1.00 0.00 C ATOM 333 O MET A 22 -0.686 -0.332 6.074 1.00 0.00 O ATOM 334 CB MET A 22 -3.269 -2.060 4.595 1.00 0.00 C ATOM 335 CG MET A 22 -3.424 -3.534 4.260 1.00 0.00 C ATOM 336 SD MET A 22 -3.403 -3.849 2.484 1.00 0.00 S ATOM 337 CE MET A 22 -5.075 -3.388 2.039 1.00 0.00 C ATOM 0 H MET A 22 -4.513 -1.933 6.730 1.00 0.00 H new ATOM 0 HA MET A 22 -1.812 -2.569 6.091 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.254 -1.594 4.610 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.698 -1.574 3.804 1.00 0.00 H new ATOM 0 HG2 MET A 22 -2.620 -4.097 4.734 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.361 -3.901 4.679 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.483 -4.123 1.345 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.694 -3.353 2.936 1.00 0.00 H new ATOM 0 HE3 MET A 22 -5.068 -2.407 1.565 1.00 0.00 H new ATOM 347 N LYS A 23 -2.704 0.607 5.746 1.00 0.00 N ATOM 348 CA LYS A 23 -2.186 1.971 5.716 1.00 0.00 C ATOM 349 C LYS A 23 -1.182 2.196 6.841 1.00 0.00 C ATOM 350 O LYS A 23 -0.048 2.608 6.600 1.00 0.00 O ATOM 351 CB LYS A 23 -3.334 2.976 5.832 1.00 0.00 C ATOM 352 CG LYS A 23 -4.076 3.206 4.527 1.00 0.00 C ATOM 353 CD LYS A 23 -5.052 4.366 4.637 1.00 0.00 C ATOM 354 CE LYS A 23 -5.556 4.802 3.270 1.00 0.00 C ATOM 355 NZ LYS A 23 -6.349 3.732 2.603 1.00 0.00 N ATOM 0 H LYS A 23 -3.714 0.536 5.620 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.676 2.120 4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.040 2.623 6.584 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.938 3.927 6.188 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.359 3.407 3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.616 2.300 4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.897 4.074 5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.565 5.207 5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.171 5.696 3.378 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.709 5.072 2.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.877 3.450 1.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.422 2.909 3.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.302 4.089 2.388 1.00 0.00 H new ATOM 369 N SER A 24 -1.607 1.924 8.071 1.00 0.00 N ATOM 370 CA SER A 24 -0.746 2.100 9.234 1.00 0.00 C ATOM 371 C SER A 24 0.630 1.489 8.988 1.00 0.00 C ATOM 372 O SER A 24 1.648 2.027 9.425 1.00 0.00 O ATOM 373 CB SER A 24 -1.385 1.464 10.470 1.00 0.00 C ATOM 374 OG SER A 24 -0.863 2.027 11.661 1.00 0.00 O ATOM 0 H SER A 24 -2.543 1.581 8.287 1.00 0.00 H new ATOM 0 HA SER A 24 -0.625 3.169 9.407 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.465 1.607 10.439 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.206 0.389 10.463 1.00 0.00 H new ATOM 0 HG SER A 24 -1.289 1.605 12.436 1.00 0.00 H new ATOM 380 N TYR A 25 0.653 0.361 8.286 1.00 0.00 N ATOM 381 CA TYR A 25 1.903 -0.326 7.984 1.00 0.00 C ATOM 382 C TYR A 25 2.672 0.402 6.885 1.00 0.00 C ATOM 383 O TYR A 25 3.892 0.546 6.956 1.00 0.00 O ATOM 384 CB TYR A 25 1.626 -1.769 7.558 1.00 0.00 C ATOM 385 CG TYR A 25 2.878 -2.599 7.381 1.00 0.00 C ATOM 386 CD1 TYR A 25 3.628 -2.520 6.215 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.310 -3.461 8.382 1.00 0.00 C ATOM 388 CE1 TYR A 25 4.772 -3.278 6.050 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.454 -4.220 8.226 1.00 0.00 C ATOM 390 CZ TYR A 25 5.180 -4.126 7.058 1.00 0.00 C ATOM 391 OH TYR A 25 6.320 -4.880 6.897 1.00 0.00 O ATOM 0 H TYR A 25 -0.180 -0.097 7.916 1.00 0.00 H new ATOM 0 HA TYR A 25 2.513 -0.332 8.887 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.988 -2.243 8.304 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.069 -1.762 6.621 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.312 -1.856 5.424 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.742 -3.539 9.297 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.343 -3.206 5.136 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.778 -4.883 9.015 1.00 0.00 H new ATOM 0 HH TYR A 25 6.736 -5.034 7.771 1.00 0.00 H new ATOM 401 N PHE A 26 1.949 0.859 5.868 1.00 0.00 N ATOM 402 CA PHE A 26 2.561 1.572 4.754 1.00 0.00 C ATOM 403 C PHE A 26 3.553 2.617 5.256 1.00 0.00 C ATOM 404 O PHE A 26 4.529 2.937 4.578 1.00 0.00 O ATOM 405 CB PHE A 26 1.485 2.243 3.897 1.00 0.00 C ATOM 406 CG PHE A 26 2.027 2.901 2.661 1.00 0.00 C ATOM 407 CD1 PHE A 26 2.569 2.142 1.636 1.00 0.00 C ATOM 408 CD2 PHE A 26 1.996 4.279 2.524 1.00 0.00 C ATOM 409 CE1 PHE A 26 3.069 2.744 0.497 1.00 0.00 C ATOM 410 CE2 PHE A 26 2.494 4.887 1.386 1.00 0.00 C ATOM 411 CZ PHE A 26 3.033 4.119 0.373 1.00 0.00 C ATOM 0 H PHE A 26 0.938 0.748 5.793 1.00 0.00 H new ATOM 0 HA PHE A 26 3.101 0.848 4.145 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.745 1.497 3.607 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.966 2.989 4.498 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.601 1.066 1.729 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.578 4.885 3.314 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.487 2.140 -0.295 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.461 5.962 1.290 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.426 4.593 -0.515 1.00 0.00 H new ATOM 421 N ALA A 27 3.294 3.146 6.447 1.00 0.00 N ATOM 422 CA ALA A 27 4.163 4.154 7.040 1.00 0.00 C ATOM 423 C ALA A 27 5.384 3.512 7.690 1.00 0.00 C ATOM 424 O ALA A 27 6.468 4.095 7.707 1.00 0.00 O ATOM 425 CB ALA A 27 3.393 4.981 8.060 1.00 0.00 C ATOM 0 H ALA A 27 2.489 2.893 7.020 1.00 0.00 H new ATOM 0 HA ALA A 27 4.511 4.812 6.244 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.055 5.730 8.495 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.556 5.477 7.569 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.016 4.328 8.848 1.00 0.00 H new ATOM 431 N ILE A 28 5.200 2.309 8.226 1.00 0.00 N ATOM 432 CA ILE A 28 6.286 1.589 8.877 1.00 0.00 C ATOM 433 C ILE A 28 7.258 1.017 7.851 1.00 0.00 C ATOM 434 O ILE A 28 8.466 1.231 7.938 1.00 0.00 O ATOM 435 CB ILE A 28 5.754 0.444 9.758 1.00 0.00 C ATOM 436 CG1 ILE A 28 4.802 0.992 10.824 1.00 0.00 C ATOM 437 CG2 ILE A 28 6.908 -0.305 10.406 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.794 -0.024 11.313 1.00 0.00 C ATOM 0 H ILE A 28 4.308 1.813 8.222 1.00 0.00 H new ATOM 0 HA ILE A 28 6.808 2.308 9.508 1.00 0.00 H new ATOM 0 HB ILE A 28 5.202 -0.253 9.128 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.386 1.350 11.672 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.271 1.852 10.417 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.516 -1.111 11.026 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.551 -0.722 9.632 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.485 0.381 11.026 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.153 0.433 12.066 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.185 -0.364 10.476 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.317 -0.875 11.750 1.00 0.00 H new ATOM 450 N ASN A 29 6.722 0.288 6.877 1.00 0.00 N ATOM 451 CA ASN A 29 7.541 -0.314 5.833 1.00 0.00 C ATOM 452 C ASN A 29 6.844 -0.232 4.479 1.00 0.00 C ATOM 453 O ASN A 29 5.633 -0.428 4.378 1.00 0.00 O ATOM 454 CB ASN A 29 7.846 -1.775 6.174 1.00 0.00 C ATOM 455 CG ASN A 29 9.109 -2.275 5.501 1.00 0.00 C ATOM 456 OD1 ASN A 29 10.188 -1.711 5.682 1.00 0.00 O ATOM 457 ND2 ASN A 29 8.981 -3.340 4.717 1.00 0.00 N ATOM 0 H ASN A 29 5.723 0.100 6.790 1.00 0.00 H new ATOM 0 HA ASN A 29 8.477 0.242 5.774 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.948 -1.879 7.254 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.005 -2.399 5.871 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.796 -3.721 4.237 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.067 -3.777 4.595 1.00 0.00 H new ATOM 464 N HIS A 30 7.618 0.060 3.438 1.00 0.00 N ATOM 465 CA HIS A 30 7.075 0.168 2.088 1.00 0.00 C ATOM 466 C HIS A 30 7.110 -1.182 1.379 1.00 0.00 C ATOM 467 O HIS A 30 6.125 -1.599 0.769 1.00 0.00 O ATOM 468 CB HIS A 30 7.862 1.200 1.280 1.00 0.00 C ATOM 469 CG HIS A 30 8.027 2.512 1.985 1.00 0.00 C ATOM 470 ND1 HIS A 30 9.116 3.336 1.795 1.00 0.00 N ATOM 471 CD2 HIS A 30 7.231 3.143 2.880 1.00 0.00 C ATOM 472 CE1 HIS A 30 8.984 4.416 2.545 1.00 0.00 C ATOM 473 NE2 HIS A 30 7.848 4.323 3.213 1.00 0.00 N ATOM 0 H HIS A 30 8.622 0.226 3.503 1.00 0.00 H new ATOM 0 HA HIS A 30 6.037 0.492 2.166 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.847 0.794 1.049 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.356 1.368 0.330 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.286 2.785 3.261 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.685 5.235 2.602 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.488 5.016 3.870 1.00 0.00 H new ATOM 482 N ASN A 31 8.249 -1.861 1.463 1.00 0.00 N ATOM 483 CA ASN A 31 8.411 -3.165 0.830 1.00 0.00 C ATOM 484 C ASN A 31 8.432 -4.278 1.872 1.00 0.00 C ATOM 485 O ASN A 31 9.489 -4.756 2.285 1.00 0.00 O ATOM 486 CB ASN A 31 9.701 -3.198 0.006 1.00 0.00 C ATOM 487 CG ASN A 31 9.531 -2.560 -1.359 1.00 0.00 C ATOM 488 OD1 ASN A 31 9.722 -3.209 -2.388 1.00 0.00 O ATOM 489 ND2 ASN A 31 9.169 -1.283 -1.376 1.00 0.00 N ATOM 0 H ASN A 31 9.074 -1.530 1.963 1.00 0.00 H new ATOM 0 HA ASN A 31 7.560 -3.328 0.169 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.490 -2.680 0.551 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.024 -4.232 -0.117 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.039 -0.802 -2.266 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.021 -0.783 -0.499 1.00 0.00 H new ATOM 496 N PRO A 32 7.237 -4.704 2.307 1.00 0.00 N ATOM 497 CA PRO A 32 7.091 -5.767 3.306 1.00 0.00 C ATOM 498 C PRO A 32 7.488 -7.134 2.759 1.00 0.00 C ATOM 499 O PRO A 32 7.593 -7.322 1.547 1.00 0.00 O ATOM 500 CB PRO A 32 5.597 -5.737 3.640 1.00 0.00 C ATOM 501 CG PRO A 32 4.950 -5.162 2.427 1.00 0.00 C ATOM 502 CD PRO A 32 5.936 -4.180 1.858 1.00 0.00 C ATOM 0 HA PRO A 32 7.738 -5.608 4.169 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.219 -6.737 3.854 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.400 -5.126 4.521 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.715 -5.942 1.703 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.011 -4.670 2.682 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.875 -4.134 0.771 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.759 -3.171 2.231 1.00 0.00 H new ATOM 510 N ASP A 33 7.706 -8.085 3.660 1.00 0.00 N ATOM 511 CA ASP A 33 8.090 -9.437 3.268 1.00 0.00 C ATOM 512 C ASP A 33 6.919 -10.402 3.425 1.00 0.00 C ATOM 513 O ASP A 33 5.927 -10.088 4.082 1.00 0.00 O ATOM 514 CB ASP A 33 9.278 -9.916 4.105 1.00 0.00 C ATOM 515 CG ASP A 33 10.116 -10.952 3.380 1.00 0.00 C ATOM 516 OD1 ASP A 33 10.811 -10.580 2.412 1.00 0.00 O ATOM 517 OD2 ASP A 33 10.076 -12.134 3.782 1.00 0.00 O ATOM 0 H ASP A 33 7.624 -7.945 4.667 1.00 0.00 H new ATOM 0 HA ASP A 33 8.381 -9.415 2.218 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.904 -9.062 4.364 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.913 -10.339 5.041 1.00 0.00 H new ATOM 522 N ALA A 34 7.042 -11.577 2.818 1.00 0.00 N ATOM 523 CA ALA A 34 5.995 -12.588 2.891 1.00 0.00 C ATOM 524 C ALA A 34 5.445 -12.707 4.308 1.00 0.00 C ATOM 525 O ALA A 34 4.238 -12.853 4.508 1.00 0.00 O ATOM 526 CB ALA A 34 6.524 -13.932 2.412 1.00 0.00 C ATOM 0 H ALA A 34 7.857 -11.853 2.270 1.00 0.00 H new ATOM 0 HA ALA A 34 5.179 -12.279 2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.731 -14.677 2.472 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.861 -13.843 1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.359 -14.239 3.041 1.00 0.00 H new ATOM 532 N LYS A 35 6.337 -12.646 5.290 1.00 0.00 N ATOM 533 CA LYS A 35 5.944 -12.747 6.690 1.00 0.00 C ATOM 534 C LYS A 35 4.916 -11.676 7.045 1.00 0.00 C ATOM 535 O LYS A 35 3.878 -11.969 7.638 1.00 0.00 O ATOM 536 CB LYS A 35 7.168 -12.614 7.598 1.00 0.00 C ATOM 537 CG LYS A 35 7.043 -13.376 8.905 1.00 0.00 C ATOM 538 CD LYS A 35 6.181 -12.627 9.908 1.00 0.00 C ATOM 539 CE LYS A 35 6.964 -11.519 10.597 1.00 0.00 C ATOM 540 NZ LYS A 35 6.877 -10.232 9.852 1.00 0.00 N ATOM 0 H LYS A 35 7.339 -12.527 5.142 1.00 0.00 H new ATOM 0 HA LYS A 35 5.492 -13.727 6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.048 -12.971 7.062 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.334 -11.559 7.817 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.611 -14.358 8.714 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.034 -13.541 9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.316 -12.201 9.400 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.801 -13.324 10.655 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.582 -11.380 11.608 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.009 -11.816 10.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.800 -10.015 9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.160 -10.312 9.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.610 -9.469 10.507 1.00 0.00 H new ATOM 554 N ASP A 36 5.212 -10.434 6.677 1.00 0.00 N ATOM 555 CA ASP A 36 4.313 -9.319 6.954 1.00 0.00 C ATOM 556 C ASP A 36 3.011 -9.465 6.173 1.00 0.00 C ATOM 557 O ASP A 36 1.943 -9.075 6.647 1.00 0.00 O ATOM 558 CB ASP A 36 4.988 -7.993 6.602 1.00 0.00 C ATOM 559 CG ASP A 36 6.294 -7.793 7.344 1.00 0.00 C ATOM 560 OD1 ASP A 36 6.248 -7.518 8.561 1.00 0.00 O ATOM 561 OD2 ASP A 36 7.363 -7.911 6.709 1.00 0.00 O ATOM 0 H ASP A 36 6.067 -10.174 6.186 1.00 0.00 H new ATOM 0 HA ASP A 36 4.080 -9.327 8.019 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.174 -7.957 5.529 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.311 -7.171 6.836 1.00 0.00 H new ATOM 566 N LEU A 37 3.106 -10.027 4.973 1.00 0.00 N ATOM 567 CA LEU A 37 1.936 -10.224 4.124 1.00 0.00 C ATOM 568 C LEU A 37 0.996 -11.264 4.726 1.00 0.00 C ATOM 569 O LEU A 37 -0.194 -11.008 4.912 1.00 0.00 O ATOM 570 CB LEU A 37 2.365 -10.658 2.722 1.00 0.00 C ATOM 571 CG LEU A 37 2.919 -9.555 1.818 1.00 0.00 C ATOM 572 CD1 LEU A 37 3.680 -10.158 0.648 1.00 0.00 C ATOM 573 CD2 LEU A 37 1.795 -8.658 1.321 1.00 0.00 C ATOM 0 H LEU A 37 3.982 -10.355 4.566 1.00 0.00 H new ATOM 0 HA LEU A 37 1.403 -9.275 4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.123 -11.435 2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.507 -11.111 2.225 1.00 0.00 H new ATOM 0 HG LEU A 37 3.611 -8.946 2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.067 -9.359 0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.509 -10.758 1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.010 -10.790 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.208 -7.879 0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.078 -9.253 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.293 -8.198 2.172 1.00 0.00 H new ATOM 585 N LYS A 38 1.538 -12.437 5.031 1.00 0.00 N ATOM 586 CA LYS A 38 0.750 -13.517 5.616 1.00 0.00 C ATOM 587 C LYS A 38 0.083 -13.063 6.910 1.00 0.00 C ATOM 588 O LYS A 38 -1.030 -13.485 7.225 1.00 0.00 O ATOM 589 CB LYS A 38 1.637 -14.735 5.885 1.00 0.00 C ATOM 590 CG LYS A 38 2.757 -14.464 6.873 1.00 0.00 C ATOM 591 CD LYS A 38 3.465 -15.746 7.279 1.00 0.00 C ATOM 592 CE LYS A 38 4.383 -16.249 6.176 1.00 0.00 C ATOM 593 NZ LYS A 38 4.659 -17.706 6.303 1.00 0.00 N ATOM 0 H LYS A 38 2.521 -12.665 4.883 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.028 -13.793 4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.018 -15.548 6.264 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.068 -15.075 4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.476 -13.775 6.429 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.352 -13.975 7.759 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.045 -15.571 8.185 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.726 -16.511 7.516 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.928 -16.049 5.206 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.323 -15.698 6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.288 -18.009 5.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.117 -17.894 7.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.765 -18.235 6.248 1.00 0.00 H new ATOM 607 N GLN A 39 0.769 -12.201 7.654 1.00 0.00 N ATOM 608 CA GLN A 39 0.240 -11.691 8.914 1.00 0.00 C ATOM 609 C GLN A 39 -0.882 -10.689 8.667 1.00 0.00 C ATOM 610 O GLN A 39 -1.911 -10.715 9.344 1.00 0.00 O ATOM 611 CB GLN A 39 1.356 -11.035 9.730 1.00 0.00 C ATOM 612 CG GLN A 39 2.353 -12.028 10.304 1.00 0.00 C ATOM 613 CD GLN A 39 1.764 -12.870 11.419 1.00 0.00 C ATOM 614 OE1 GLN A 39 1.073 -13.857 11.168 1.00 0.00 O ATOM 615 NE2 GLN A 39 2.034 -12.482 12.660 1.00 0.00 N ATOM 0 H GLN A 39 1.691 -11.842 7.407 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.166 -12.532 9.476 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.887 -10.324 9.098 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.911 -10.466 10.546 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.707 -12.683 9.508 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.221 -11.488 10.682 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.612 -11.657 12.822 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.664 -13.009 13.451 1.00 0.00 H new ATOM 624 N LEU A 40 -0.679 -9.807 7.695 1.00 0.00 N ATOM 625 CA LEU A 40 -1.674 -8.796 7.358 1.00 0.00 C ATOM 626 C LEU A 40 -2.936 -9.440 6.795 1.00 0.00 C ATOM 627 O LEU A 40 -4.051 -9.027 7.113 1.00 0.00 O ATOM 628 CB LEU A 40 -1.100 -7.803 6.346 1.00 0.00 C ATOM 629 CG LEU A 40 -0.152 -6.743 6.910 1.00 0.00 C ATOM 630 CD1 LEU A 40 0.641 -6.086 5.791 1.00 0.00 C ATOM 631 CD2 LEU A 40 -0.930 -5.699 7.699 1.00 0.00 C ATOM 0 H LEU A 40 0.167 -9.772 7.126 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.937 -8.263 8.272 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.569 -8.364 5.577 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.930 -7.295 5.854 1.00 0.00 H new ATOM 0 HG LEU A 40 0.550 -7.232 7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.310 -5.335 6.211 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.227 -6.842 5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.045 -5.610 5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.240 -4.953 8.093 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.655 -5.214 7.045 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.453 -6.182 8.525 1.00 0.00 H new ATOM 643 N ALA A 41 -2.753 -10.456 5.957 1.00 0.00 N ATOM 644 CA ALA A 41 -3.877 -11.159 5.352 1.00 0.00 C ATOM 645 C ALA A 41 -4.898 -11.574 6.408 1.00 0.00 C ATOM 646 O ALA A 41 -6.072 -11.776 6.101 1.00 0.00 O ATOM 647 CB ALA A 41 -3.385 -12.378 4.585 1.00 0.00 C ATOM 0 H ALA A 41 -1.837 -10.810 5.682 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.368 -10.478 4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.235 -12.894 4.138 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.699 -12.061 3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.869 -13.053 5.267 1.00 0.00 H new ATOM 653 N GLN A 42 -4.441 -11.697 7.650 1.00 0.00 N ATOM 654 CA GLN A 42 -5.315 -12.087 8.749 1.00 0.00 C ATOM 655 C GLN A 42 -5.928 -10.862 9.420 1.00 0.00 C ATOM 656 O GLN A 42 -7.141 -10.791 9.619 1.00 0.00 O ATOM 657 CB GLN A 42 -4.539 -12.911 9.778 1.00 0.00 C ATOM 658 CG GLN A 42 -4.173 -14.305 9.291 1.00 0.00 C ATOM 659 CD GLN A 42 -4.082 -15.313 10.420 1.00 0.00 C ATOM 660 OE1 GLN A 42 -3.629 -14.991 11.519 1.00 0.00 O ATOM 661 NE2 GLN A 42 -4.513 -16.539 10.154 1.00 0.00 N ATOM 0 H GLN A 42 -3.471 -11.532 7.920 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.121 -12.695 8.339 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.627 -12.377 10.045 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.135 -12.997 10.686 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.917 -14.640 8.569 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.218 -14.264 8.768 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.881 -16.761 9.229 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.477 -17.260 10.875 1.00 0.00 H new ATOM 670 N LYS A 43 -5.081 -9.899 9.768 1.00 0.00 N ATOM 671 CA LYS A 43 -5.538 -8.675 10.415 1.00 0.00 C ATOM 672 C LYS A 43 -6.559 -7.948 9.546 1.00 0.00 C ATOM 673 O LYS A 43 -7.349 -7.143 10.039 1.00 0.00 O ATOM 674 CB LYS A 43 -4.351 -7.753 10.705 1.00 0.00 C ATOM 675 CG LYS A 43 -3.540 -8.170 11.920 1.00 0.00 C ATOM 676 CD LYS A 43 -2.387 -7.213 12.176 1.00 0.00 C ATOM 677 CE LYS A 43 -1.229 -7.469 11.225 1.00 0.00 C ATOM 678 NZ LYS A 43 -0.041 -6.637 11.562 1.00 0.00 N ATOM 0 H LYS A 43 -4.074 -9.943 9.613 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.017 -8.948 11.355 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.698 -7.730 9.833 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.718 -6.738 10.855 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.187 -8.204 12.796 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.152 -9.178 11.771 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.733 -6.186 12.061 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.045 -7.321 13.205 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.956 -8.524 11.261 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.544 -7.256 10.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.727 -6.840 10.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.294 -5.630 11.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.275 -6.859 12.528 1.00 0.00 H new ATOM 692 N THR A 44 -6.538 -8.237 8.249 1.00 0.00 N ATOM 693 CA THR A 44 -7.463 -7.611 7.311 1.00 0.00 C ATOM 694 C THR A 44 -8.420 -8.638 6.715 1.00 0.00 C ATOM 695 O THR A 44 -9.608 -8.367 6.545 1.00 0.00 O ATOM 696 CB THR A 44 -6.710 -6.904 6.168 1.00 0.00 C ATOM 697 OG1 THR A 44 -6.035 -7.870 5.354 1.00 0.00 O ATOM 698 CG2 THR A 44 -5.703 -5.906 6.719 1.00 0.00 C ATOM 0 H THR A 44 -5.891 -8.901 7.824 1.00 0.00 H new ATOM 0 HA THR A 44 -8.032 -6.871 7.874 1.00 0.00 H new ATOM 0 HB THR A 44 -7.438 -6.365 5.562 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.348 -8.323 5.886 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.184 -5.419 5.893 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.223 -5.155 7.314 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.979 -6.427 7.346 1.00 0.00 H new ATOM 706 N GLY A 45 -7.895 -9.818 6.400 1.00 0.00 N ATOM 707 CA GLY A 45 -8.717 -10.867 5.827 1.00 0.00 C ATOM 708 C GLY A 45 -8.452 -11.070 4.349 1.00 0.00 C ATOM 709 O GLY A 45 -8.849 -12.085 3.773 1.00 0.00 O ATOM 0 H GLY A 45 -6.914 -10.066 6.532 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.531 -11.801 6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.769 -10.621 5.974 1.00 0.00 H new ATOM 713 N LEU A 46 -7.779 -10.105 3.733 1.00 0.00 N ATOM 714 CA LEU A 46 -7.462 -10.182 2.310 1.00 0.00 C ATOM 715 C LEU A 46 -6.444 -11.284 2.039 1.00 0.00 C ATOM 716 O LEU A 46 -5.889 -11.875 2.967 1.00 0.00 O ATOM 717 CB LEU A 46 -6.922 -8.839 1.816 1.00 0.00 C ATOM 718 CG LEU A 46 -7.739 -7.604 2.197 1.00 0.00 C ATOM 719 CD1 LEU A 46 -6.916 -6.340 2.007 1.00 0.00 C ATOM 720 CD2 LEU A 46 -9.020 -7.538 1.378 1.00 0.00 C ATOM 0 H LEU A 46 -7.442 -9.260 4.195 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.378 -10.419 1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.910 -8.713 2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.846 -8.878 0.729 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.009 -7.681 3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.514 -5.472 2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.029 -6.385 2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.614 -6.256 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.589 -6.653 1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.772 -7.485 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.618 -8.429 1.566 1.00 0.00 H new ATOM 732 N THR A 47 -6.198 -11.555 0.760 1.00 0.00 N ATOM 733 CA THR A 47 -5.245 -12.585 0.366 1.00 0.00 C ATOM 734 C THR A 47 -3.882 -11.980 0.049 1.00 0.00 C ATOM 735 O THR A 47 -3.773 -10.791 -0.246 1.00 0.00 O ATOM 736 CB THR A 47 -5.743 -13.371 -0.860 1.00 0.00 C ATOM 737 OG1 THR A 47 -4.819 -14.417 -1.181 1.00 0.00 O ATOM 738 CG2 THR A 47 -5.913 -12.452 -2.060 1.00 0.00 C ATOM 0 H THR A 47 -6.646 -11.075 -0.020 1.00 0.00 H new ATOM 0 HA THR A 47 -5.149 -13.267 1.211 1.00 0.00 H new ATOM 0 HB THR A 47 -6.712 -13.806 -0.615 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.144 -14.913 -1.961 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.266 -13.030 -2.914 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.640 -11.675 -1.823 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.956 -11.991 -2.304 1.00 0.00 H new ATOM 746 N LYS A 48 -2.845 -12.808 0.110 1.00 0.00 N ATOM 747 CA LYS A 48 -1.487 -12.356 -0.173 1.00 0.00 C ATOM 748 C LYS A 48 -1.451 -11.498 -1.433 1.00 0.00 C ATOM 749 O LYS A 48 -0.862 -10.417 -1.442 1.00 0.00 O ATOM 750 CB LYS A 48 -0.552 -13.557 -0.332 1.00 0.00 C ATOM 751 CG LYS A 48 0.915 -13.214 -0.137 1.00 0.00 C ATOM 752 CD LYS A 48 1.696 -14.397 0.412 1.00 0.00 C ATOM 753 CE LYS A 48 3.148 -14.365 -0.041 1.00 0.00 C ATOM 754 NZ LYS A 48 4.000 -15.280 0.768 1.00 0.00 N ATOM 0 H LYS A 48 -2.918 -13.796 0.353 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.149 -11.749 0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.836 -14.326 0.387 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.688 -13.984 -1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.346 -12.902 -1.088 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.004 -12.369 0.546 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.653 -14.389 1.501 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.231 -15.326 0.082 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.207 -14.648 -1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.531 -13.347 0.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.002 -15.096 0.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.821 -15.117 1.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.772 -16.267 0.531 1.00 0.00 H new ATOM 768 N ARG A 49 -2.085 -11.986 -2.493 1.00 0.00 N ATOM 769 CA ARG A 49 -2.125 -11.263 -3.759 1.00 0.00 C ATOM 770 C ARG A 49 -2.666 -9.851 -3.561 1.00 0.00 C ATOM 771 O ARG A 49 -1.993 -8.868 -3.870 1.00 0.00 O ATOM 772 CB ARG A 49 -2.990 -12.015 -4.773 1.00 0.00 C ATOM 773 CG ARG A 49 -3.235 -11.239 -6.058 1.00 0.00 C ATOM 774 CD ARG A 49 -2.120 -11.467 -7.067 1.00 0.00 C ATOM 775 NE ARG A 49 -2.031 -12.865 -7.479 1.00 0.00 N ATOM 776 CZ ARG A 49 -1.003 -13.370 -8.152 1.00 0.00 C ATOM 777 NH1 ARG A 49 0.019 -12.595 -8.486 1.00 0.00 N ATOM 778 NH2 ARG A 49 -0.995 -14.652 -8.491 1.00 0.00 N ATOM 0 H ARG A 49 -2.578 -12.879 -2.501 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.107 -11.193 -4.142 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.509 -12.962 -5.017 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.949 -12.253 -4.314 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.188 -11.543 -6.492 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.312 -10.175 -5.833 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.291 -10.841 -7.943 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.170 -11.156 -6.633 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.801 -13.489 -7.237 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.017 -11.609 -8.226 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.807 -12.985 -9.003 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.779 -15.252 -8.235 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.205 -15.038 -9.008 1.00 0.00 H new ATOM 792 N VAL A 50 -3.887 -9.756 -3.044 1.00 0.00 N ATOM 793 CA VAL A 50 -4.519 -8.465 -2.804 1.00 0.00 C ATOM 794 C VAL A 50 -3.571 -7.515 -2.082 1.00 0.00 C ATOM 795 O VAL A 50 -3.290 -6.416 -2.562 1.00 0.00 O ATOM 796 CB VAL A 50 -5.808 -8.616 -1.975 1.00 0.00 C ATOM 797 CG1 VAL A 50 -6.289 -7.259 -1.483 1.00 0.00 C ATOM 798 CG2 VAL A 50 -6.888 -9.311 -2.789 1.00 0.00 C ATOM 0 H VAL A 50 -4.459 -10.560 -2.783 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.771 -8.050 -3.780 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.588 -9.234 -1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.201 -7.386 -0.899 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.519 -6.804 -0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.492 -6.613 -2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.791 -9.409 -2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.108 -8.722 -3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.540 -10.301 -3.085 1.00 0.00 H new ATOM 808 N LEU A 51 -3.079 -7.945 -0.926 1.00 0.00 N ATOM 809 CA LEU A 51 -2.160 -7.134 -0.135 1.00 0.00 C ATOM 810 C LEU A 51 -1.001 -6.633 -0.991 1.00 0.00 C ATOM 811 O LEU A 51 -0.785 -5.428 -1.115 1.00 0.00 O ATOM 812 CB LEU A 51 -1.624 -7.941 1.048 1.00 0.00 C ATOM 813 CG LEU A 51 -2.673 -8.496 2.013 1.00 0.00 C ATOM 814 CD1 LEU A 51 -2.075 -9.595 2.877 1.00 0.00 C ATOM 815 CD2 LEU A 51 -3.242 -7.382 2.880 1.00 0.00 C ATOM 0 H LEU A 51 -3.301 -8.852 -0.515 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.709 -6.271 0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.041 -8.775 0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.939 -7.309 1.612 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.487 -8.925 1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.836 -9.978 3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.717 -10.404 2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.242 -9.192 3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.987 -7.795 3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.439 -6.923 3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.709 -6.629 2.245 1.00 0.00 H new ATOM 827 N GLN A 52 -0.262 -7.567 -1.580 1.00 0.00 N ATOM 828 CA GLN A 52 0.875 -7.221 -2.427 1.00 0.00 C ATOM 829 C GLN A 52 0.505 -6.114 -3.408 1.00 0.00 C ATOM 830 O GLN A 52 1.115 -5.046 -3.414 1.00 0.00 O ATOM 831 CB GLN A 52 1.365 -8.453 -3.189 1.00 0.00 C ATOM 832 CG GLN A 52 2.382 -9.280 -2.419 1.00 0.00 C ATOM 833 CD GLN A 52 3.780 -8.695 -2.488 1.00 0.00 C ATOM 834 OE1 GLN A 52 4.589 -9.088 -3.329 1.00 0.00 O ATOM 835 NE2 GLN A 52 4.071 -7.751 -1.601 1.00 0.00 N ATOM 0 H GLN A 52 -0.429 -8.569 -1.487 1.00 0.00 H new ATOM 0 HA GLN A 52 1.678 -6.859 -1.785 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.509 -9.082 -3.435 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.808 -8.134 -4.132 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.073 -9.351 -1.376 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.396 -10.295 -2.817 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.370 -7.456 -0.922 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.996 -7.321 -1.599 1.00 0.00 H new ATOM 844 N VAL A 53 -0.500 -6.378 -4.239 1.00 0.00 N ATOM 845 CA VAL A 53 -0.952 -5.405 -5.225 1.00 0.00 C ATOM 846 C VAL A 53 -1.197 -4.044 -4.583 1.00 0.00 C ATOM 847 O VAL A 53 -0.520 -3.067 -4.898 1.00 0.00 O ATOM 848 CB VAL A 53 -2.244 -5.871 -5.923 1.00 0.00 C ATOM 849 CG1 VAL A 53 -2.741 -4.810 -6.893 1.00 0.00 C ATOM 850 CG2 VAL A 53 -2.015 -7.194 -6.638 1.00 0.00 C ATOM 0 H VAL A 53 -1.016 -7.258 -4.248 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.159 -5.316 -5.967 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.012 -6.022 -5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.654 -5.158 -7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.946 -3.888 -6.350 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.979 -4.623 -7.650 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.938 -7.509 -7.126 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.232 -7.072 -7.387 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.711 -7.951 -5.915 1.00 0.00 H new ATOM 860 N TRP A 54 -2.169 -3.990 -3.679 1.00 0.00 N ATOM 861 CA TRP A 54 -2.504 -2.749 -2.991 1.00 0.00 C ATOM 862 C TRP A 54 -1.246 -1.955 -2.657 1.00 0.00 C ATOM 863 O TRP A 54 -1.083 -0.816 -3.095 1.00 0.00 O ATOM 864 CB TRP A 54 -3.289 -3.046 -1.712 1.00 0.00 C ATOM 865 CG TRP A 54 -3.637 -1.817 -0.929 1.00 0.00 C ATOM 866 CD1 TRP A 54 -4.773 -1.066 -1.042 1.00 0.00 C ATOM 867 CD2 TRP A 54 -2.842 -1.194 0.086 1.00 0.00 C ATOM 868 NE1 TRP A 54 -4.731 -0.014 -0.159 1.00 0.00 N ATOM 869 CE2 TRP A 54 -3.558 -0.071 0.546 1.00 0.00 C ATOM 870 CE3 TRP A 54 -1.597 -1.477 0.654 1.00 0.00 C ATOM 871 CZ2 TRP A 54 -3.067 0.766 1.544 1.00 0.00 C ATOM 872 CZ3 TRP A 54 -1.111 -0.644 1.644 1.00 0.00 C ATOM 873 CH2 TRP A 54 -1.845 0.466 2.081 1.00 0.00 C ATOM 0 H TRP A 54 -2.738 -4.791 -3.406 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.123 -2.149 -3.658 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.206 -3.574 -1.972 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.703 -3.715 -1.082 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.585 -1.269 -1.725 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.456 0.695 -0.047 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.025 -2.332 0.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.631 1.622 1.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.149 -0.853 2.088 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.438 1.097 2.857 1.00 0.00 H new ATOM 884 N PHE A 55 -0.358 -2.564 -1.876 1.00 0.00 N ATOM 885 CA PHE A 55 0.886 -1.913 -1.483 1.00 0.00 C ATOM 886 C PHE A 55 1.615 -1.350 -2.700 1.00 0.00 C ATOM 887 O PHE A 55 2.038 -0.194 -2.701 1.00 0.00 O ATOM 888 CB PHE A 55 1.792 -2.901 -0.746 1.00 0.00 C ATOM 889 CG PHE A 55 1.571 -2.924 0.740 1.00 0.00 C ATOM 890 CD1 PHE A 55 2.271 -2.064 1.572 1.00 0.00 C ATOM 891 CD2 PHE A 55 0.661 -3.803 1.305 1.00 0.00 C ATOM 892 CE1 PHE A 55 2.070 -2.084 2.939 1.00 0.00 C ATOM 893 CE2 PHE A 55 0.455 -3.826 2.672 1.00 0.00 C ATOM 894 CZ PHE A 55 1.159 -2.964 3.489 1.00 0.00 C ATOM 0 H PHE A 55 -0.477 -3.506 -1.504 1.00 0.00 H new ATOM 0 HA PHE A 55 0.639 -1.088 -0.815 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.626 -3.901 -1.145 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.833 -2.646 -0.947 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.981 -1.371 1.147 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.106 -4.478 0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.625 -1.412 3.577 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.256 -4.517 3.100 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.997 -2.978 4.557 1.00 0.00 H new ATOM 904 N GLN A 56 1.754 -2.174 -3.732 1.00 0.00 N ATOM 905 CA GLN A 56 2.432 -1.760 -4.955 1.00 0.00 C ATOM 906 C GLN A 56 1.743 -0.547 -5.574 1.00 0.00 C ATOM 907 O GLN A 56 2.401 0.361 -6.081 1.00 0.00 O ATOM 908 CB GLN A 56 2.466 -2.911 -5.961 1.00 0.00 C ATOM 909 CG GLN A 56 3.480 -3.991 -5.615 1.00 0.00 C ATOM 910 CD GLN A 56 3.796 -4.893 -6.792 1.00 0.00 C ATOM 911 OE1 GLN A 56 4.381 -4.457 -7.784 1.00 0.00 O ATOM 912 NE2 GLN A 56 3.408 -6.159 -6.688 1.00 0.00 N ATOM 0 H GLN A 56 1.406 -3.133 -3.746 1.00 0.00 H new ATOM 0 HA GLN A 56 3.454 -1.483 -4.698 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.475 -3.360 -6.020 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.695 -2.512 -6.949 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.399 -3.522 -5.264 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.096 -4.594 -4.792 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.926 -6.477 -5.847 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.592 -6.813 -7.449 1.00 0.00 H new ATOM 921 N ASN A 57 0.415 -0.542 -5.532 1.00 0.00 N ATOM 922 CA ASN A 57 -0.363 0.557 -6.091 1.00 0.00 C ATOM 923 C ASN A 57 -0.095 1.853 -5.330 1.00 0.00 C ATOM 924 O ASN A 57 -0.083 2.936 -5.915 1.00 0.00 O ATOM 925 CB ASN A 57 -1.856 0.226 -6.047 1.00 0.00 C ATOM 926 CG ASN A 57 -2.327 -0.487 -7.300 1.00 0.00 C ATOM 927 OD1 ASN A 57 -1.703 -0.387 -8.356 1.00 0.00 O ATOM 928 ND2 ASN A 57 -3.434 -1.212 -7.187 1.00 0.00 N ATOM 0 H ASN A 57 -0.145 -1.287 -5.117 1.00 0.00 H new ATOM 0 HA ASN A 57 -0.059 0.695 -7.129 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.061 -0.399 -5.178 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.426 1.146 -5.920 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.799 -1.715 -7.996 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.919 -1.266 -6.291 1.00 0.00 H new ATOM 935 N ALA A 58 0.118 1.734 -4.024 1.00 0.00 N ATOM 936 CA ALA A 58 0.388 2.895 -3.185 1.00 0.00 C ATOM 937 C ALA A 58 1.599 3.670 -3.694 1.00 0.00 C ATOM 938 O ALA A 58 1.487 4.839 -4.065 1.00 0.00 O ATOM 939 CB ALA A 58 0.603 2.464 -1.742 1.00 0.00 C ATOM 0 H ALA A 58 0.109 0.845 -3.524 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.478 3.555 -3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.804 3.341 -1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.292 1.960 -1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.451 1.781 -1.689 1.00 0.00 H new ATOM 945 N ARG A 59 2.753 3.013 -3.707 1.00 0.00 N ATOM 946 CA ARG A 59 3.985 3.642 -4.168 1.00 0.00 C ATOM 947 C ARG A 59 3.721 4.534 -5.377 1.00 0.00 C ATOM 948 O ARG A 59 4.206 5.663 -5.446 1.00 0.00 O ATOM 949 CB ARG A 59 5.024 2.577 -4.525 1.00 0.00 C ATOM 950 CG ARG A 59 5.805 2.062 -3.327 1.00 0.00 C ATOM 951 CD ARG A 59 6.863 3.060 -2.882 1.00 0.00 C ATOM 952 NE ARG A 59 8.019 2.400 -2.280 1.00 0.00 N ATOM 953 CZ ARG A 59 8.931 1.734 -2.979 1.00 0.00 C ATOM 954 NH1 ARG A 59 8.822 1.640 -4.297 1.00 0.00 N ATOM 955 NH2 ARG A 59 9.954 1.161 -2.360 1.00 0.00 N ATOM 0 H ARG A 59 2.861 2.045 -3.404 1.00 0.00 H new ATOM 0 HA ARG A 59 4.372 4.261 -3.358 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.522 1.739 -5.008 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.722 2.992 -5.252 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.120 1.864 -2.502 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.281 1.115 -3.581 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.188 3.650 -3.739 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.427 3.754 -2.164 1.00 0.00 H new ATOM 0 HE ARG A 59 8.132 2.454 -1.268 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.036 2.080 -4.776 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.524 1.128 -4.832 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.041 1.231 -1.346 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.654 0.650 -2.898 1.00 0.00 H new