USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=7 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= -0.582 USER MOD Set 1.2: A 29 ASN : amide:sc= -1.93! K(o=-2.5!,f=-4.6) 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=-0.092) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -2.54! K(o=-2.5!,f=-2) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -139:sc= -2.32 (180deg=-5.52!) 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= -0.0289 X(o=-0.029,f=0.0029) USER MOD Single : A 31 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.49) USER MOD Single : A 35 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00332) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.25) USER MOD Single : A 42 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.4!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -63:sc=-0.00737 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.571 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -4.66! K(o=-4.7!,f=-1.3) USER MOD Single : A 56 GLN : amide:sc= -0.527 K(o=-0.53,f=-4.6!) USER MOD Single : A 57 ASN : amide:sc= 0.573 K(o=0.57,f=0) USER MOD ----------------------------------------------------------------- ATOM 178 N PHE A 14 -12.582 -1.674 -0.666 1.00 0.00 N ATOM 179 CA PHE A 14 -12.026 -2.015 0.638 1.00 0.00 C ATOM 180 C PHE A 14 -12.756 -1.271 1.752 1.00 0.00 C ATOM 181 O PHE A 14 -13.466 -0.295 1.503 1.00 0.00 O ATOM 182 CB PHE A 14 -10.533 -1.685 0.682 1.00 0.00 C ATOM 183 CG PHE A 14 -9.743 -2.336 -0.418 1.00 0.00 C ATOM 184 CD1 PHE A 14 -9.726 -3.714 -0.556 1.00 0.00 C ATOM 185 CD2 PHE A 14 -9.016 -1.568 -1.315 1.00 0.00 C ATOM 186 CE1 PHE A 14 -9.001 -4.316 -1.566 1.00 0.00 C ATOM 187 CE2 PHE A 14 -8.290 -2.164 -2.327 1.00 0.00 C ATOM 188 CZ PHE A 14 -8.281 -3.540 -2.453 1.00 0.00 C ATOM 0 HA PHE A 14 -12.159 -3.086 0.793 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.406 -0.604 0.619 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.128 -1.998 1.644 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -10.287 -4.326 0.135 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.018 -0.492 -1.221 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.997 -5.392 -1.662 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.729 -1.555 -3.020 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.712 -4.008 -3.243 1.00 0.00 H new ATOM 198 N LYS A 15 -12.576 -1.737 2.984 1.00 0.00 N ATOM 199 CA LYS A 15 -13.216 -1.118 4.137 1.00 0.00 C ATOM 200 C LYS A 15 -12.222 -0.260 4.915 1.00 0.00 C ATOM 201 O LYS A 15 -11.014 -0.490 4.862 1.00 0.00 O ATOM 202 CB LYS A 15 -13.808 -2.189 5.056 1.00 0.00 C ATOM 203 CG LYS A 15 -14.741 -3.153 4.343 1.00 0.00 C ATOM 204 CD LYS A 15 -15.993 -2.452 3.846 1.00 0.00 C ATOM 205 CE LYS A 15 -17.017 -2.284 4.958 1.00 0.00 C ATOM 206 NZ LYS A 15 -17.952 -1.158 4.686 1.00 0.00 N ATOM 0 H LYS A 15 -11.991 -2.542 3.208 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.019 -0.476 3.773 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.995 -2.754 5.513 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.352 -1.702 5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.220 -3.609 3.501 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.019 -3.960 5.021 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.728 -1.474 3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.432 -3.025 3.029 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.584 -3.208 5.072 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.502 -2.108 5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.634 -1.077 5.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.414 -0.272 4.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.463 -1.338 3.798 1.00 0.00 H new ATOM 220 N HIS A 16 -12.739 0.730 5.637 1.00 0.00 N ATOM 221 CA HIS A 16 -11.896 1.620 6.427 1.00 0.00 C ATOM 222 C HIS A 16 -11.270 0.875 7.601 1.00 0.00 C ATOM 223 O HIS A 16 -10.338 1.370 8.238 1.00 0.00 O ATOM 224 CB HIS A 16 -12.713 2.808 6.938 1.00 0.00 C ATOM 225 CG HIS A 16 -12.766 3.956 5.978 1.00 0.00 C ATOM 226 ND1 HIS A 16 -11.644 4.640 5.560 1.00 0.00 N ATOM 227 CD2 HIS A 16 -13.815 4.538 5.353 1.00 0.00 C ATOM 228 CE1 HIS A 16 -12.002 5.595 4.720 1.00 0.00 C ATOM 229 NE2 HIS A 16 -13.314 5.554 4.577 1.00 0.00 N ATOM 0 H HIS A 16 -13.737 0.936 5.691 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.095 1.988 5.785 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.729 2.475 7.150 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.287 3.153 7.880 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -14.853 4.256 5.447 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.335 6.291 4.233 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -13.866 6.176 3.986 1.00 0.00 H new ATOM 238 N HIS A 17 -11.785 -0.318 7.883 1.00 0.00 N ATOM 239 CA HIS A 17 -11.275 -1.131 8.981 1.00 0.00 C ATOM 240 C HIS A 17 -10.018 -1.886 8.560 1.00 0.00 C ATOM 241 O HIS A 17 -8.924 -1.610 9.051 1.00 0.00 O ATOM 242 CB HIS A 17 -12.344 -2.118 9.450 1.00 0.00 C ATOM 243 CG HIS A 17 -13.395 -1.496 10.318 1.00 0.00 C ATOM 244 ND1 HIS A 17 -13.357 -1.542 11.696 1.00 0.00 N ATOM 245 CD2 HIS A 17 -14.515 -0.808 9.996 1.00 0.00 C ATOM 246 CE1 HIS A 17 -14.411 -0.911 12.184 1.00 0.00 C ATOM 247 NE2 HIS A 17 -15.129 -0.456 11.173 1.00 0.00 N ATOM 0 H HIS A 17 -12.555 -0.743 7.366 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.018 -0.466 9.805 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.822 -2.564 8.578 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -11.863 -2.928 9.999 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -14.861 -0.578 8.999 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -14.645 -0.788 13.231 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -15.998 0.071 11.253 1.00 0.00 H new ATOM 256 N GLN A 18 -10.184 -2.839 7.648 1.00 0.00 N ATOM 257 CA GLN A 18 -9.063 -3.634 7.163 1.00 0.00 C ATOM 258 C GLN A 18 -7.918 -2.738 6.701 1.00 0.00 C ATOM 259 O GLN A 18 -6.765 -2.940 7.082 1.00 0.00 O ATOM 260 CB GLN A 18 -9.511 -4.541 6.015 1.00 0.00 C ATOM 261 CG GLN A 18 -10.653 -3.963 5.194 1.00 0.00 C ATOM 262 CD GLN A 18 -10.637 -4.438 3.754 1.00 0.00 C ATOM 263 OE1 GLN A 18 -11.374 -5.351 3.382 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.792 -3.820 2.936 1.00 0.00 N ATOM 0 H GLN A 18 -11.083 -3.079 7.231 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.707 -4.252 7.987 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.661 -4.729 5.359 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.818 -5.504 6.422 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.602 -4.240 5.653 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.595 -2.875 5.214 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.200 -3.068 3.288 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.736 -4.098 1.956 1.00 0.00 H new ATOM 273 N LEU A 19 -8.245 -1.746 5.879 1.00 0.00 N ATOM 274 CA LEU A 19 -7.245 -0.818 5.364 1.00 0.00 C ATOM 275 C LEU A 19 -6.472 -0.164 6.504 1.00 0.00 C ATOM 276 O LEU A 19 -5.242 -0.115 6.486 1.00 0.00 O ATOM 277 CB LEU A 19 -7.912 0.256 4.502 1.00 0.00 C ATOM 278 CG LEU A 19 -8.043 -0.065 3.013 1.00 0.00 C ATOM 279 CD1 LEU A 19 -8.764 1.059 2.286 1.00 0.00 C ATOM 280 CD2 LEU A 19 -6.673 -0.308 2.397 1.00 0.00 C ATOM 0 H LEU A 19 -9.195 -1.564 5.555 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.543 -1.383 4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.908 0.447 4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.344 1.181 4.605 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.633 -0.975 2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.848 0.813 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.761 1.186 2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.201 1.986 2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.786 -0.535 1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.058 0.584 2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.192 -1.148 2.899 1.00 0.00 H new ATOM 292 N ARG A 20 -7.202 0.337 7.496 1.00 0.00 N ATOM 293 CA ARG A 20 -6.585 0.988 8.645 1.00 0.00 C ATOM 294 C ARG A 20 -5.327 0.242 9.082 1.00 0.00 C ATOM 295 O ARG A 20 -4.357 0.851 9.535 1.00 0.00 O ATOM 296 CB ARG A 20 -7.576 1.063 9.808 1.00 0.00 C ATOM 297 CG ARG A 20 -7.061 1.860 10.996 1.00 0.00 C ATOM 298 CD ARG A 20 -7.341 3.346 10.833 1.00 0.00 C ATOM 299 NE ARG A 20 -8.764 3.652 10.956 1.00 0.00 N ATOM 300 CZ ARG A 20 -9.285 4.845 10.692 1.00 0.00 C ATOM 301 NH1 ARG A 20 -8.504 5.838 10.292 1.00 0.00 N ATOM 302 NH2 ARG A 20 -10.589 5.045 10.827 1.00 0.00 N ATOM 0 H ARG A 20 -8.221 0.304 7.527 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.303 1.999 8.350 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.504 1.512 9.455 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.816 0.052 10.136 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.532 1.498 11.910 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.988 1.701 11.105 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.784 3.904 11.585 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.982 3.678 9.859 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.392 2.909 11.261 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.501 5.687 10.186 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.906 6.753 10.090 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.193 4.282 11.134 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.988 5.961 10.624 1.00 0.00 H new ATOM 316 N THR A 21 -5.350 -1.080 8.943 1.00 0.00 N ATOM 317 CA THR A 21 -4.214 -1.908 9.324 1.00 0.00 C ATOM 318 C THR A 21 -3.099 -1.824 8.288 1.00 0.00 C ATOM 319 O THR A 21 -1.918 -1.825 8.632 1.00 0.00 O ATOM 320 CB THR A 21 -4.626 -3.382 9.498 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.543 -3.509 10.591 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.409 -4.259 9.746 1.00 0.00 C ATOM 0 H THR A 21 -6.144 -1.600 8.569 1.00 0.00 H new ATOM 0 HA THR A 21 -3.850 -1.524 10.277 1.00 0.00 H new ATOM 0 HB THR A 21 -5.110 -3.712 8.578 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.801 -4.449 10.694 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.726 -5.295 9.866 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.727 -4.183 8.899 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.901 -3.928 10.652 1.00 0.00 H new ATOM 330 N MET A 22 -3.483 -1.750 7.017 1.00 0.00 N ATOM 331 CA MET A 22 -2.515 -1.662 5.930 1.00 0.00 C ATOM 332 C MET A 22 -1.895 -0.270 5.866 1.00 0.00 C ATOM 333 O MET A 22 -0.678 -0.116 5.973 1.00 0.00 O ATOM 334 CB MET A 22 -3.182 -1.998 4.596 1.00 0.00 C ATOM 335 CG MET A 22 -3.621 -3.449 4.484 1.00 0.00 C ATOM 336 SD MET A 22 -3.766 -4.001 2.774 1.00 0.00 S ATOM 337 CE MET A 22 -5.417 -3.434 2.374 1.00 0.00 C ATOM 0 H MET A 22 -4.457 -1.749 6.715 1.00 0.00 H new ATOM 0 HA MET A 22 -1.722 -2.385 6.123 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.050 -1.353 4.461 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.488 -1.773 3.786 1.00 0.00 H new ATOM 0 HG2 MET A 22 -2.904 -4.083 5.007 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.581 -3.574 4.985 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.931 -4.196 1.788 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.971 -3.248 3.294 1.00 0.00 H new ATOM 0 HE3 MET A 22 -5.355 -2.512 1.796 1.00 0.00 H new ATOM 347 N LYS A 23 -2.738 0.741 5.691 1.00 0.00 N ATOM 348 CA LYS A 23 -2.273 2.121 5.612 1.00 0.00 C ATOM 349 C LYS A 23 -1.282 2.425 6.731 1.00 0.00 C ATOM 350 O LYS A 23 -0.185 2.925 6.481 1.00 0.00 O ATOM 351 CB LYS A 23 -3.460 3.085 5.691 1.00 0.00 C ATOM 352 CG LYS A 23 -4.293 3.129 4.423 1.00 0.00 C ATOM 353 CD LYS A 23 -5.572 3.925 4.623 1.00 0.00 C ATOM 354 CE LYS A 23 -6.490 3.818 3.416 1.00 0.00 C ATOM 355 NZ LYS A 23 -6.039 4.691 2.296 1.00 0.00 N ATOM 0 H LYS A 23 -3.748 0.631 5.601 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.767 2.255 4.656 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.098 2.794 6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.090 4.087 5.907 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.708 3.574 3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.540 2.113 4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.092 3.563 5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.326 4.972 4.803 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.525 2.782 3.078 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.504 4.094 3.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.691 4.589 1.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.029 5.682 2.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.081 4.412 2.002 1.00 0.00 H new ATOM 369 N SER A 24 -1.674 2.120 7.963 1.00 0.00 N ATOM 370 CA SER A 24 -0.820 2.363 9.119 1.00 0.00 C ATOM 371 C SER A 24 0.549 1.716 8.929 1.00 0.00 C ATOM 372 O SER A 24 1.571 2.270 9.336 1.00 0.00 O ATOM 373 CB SER A 24 -1.480 1.823 10.390 1.00 0.00 C ATOM 374 OG SER A 24 -0.707 2.131 11.536 1.00 0.00 O ATOM 0 H SER A 24 -2.578 1.704 8.187 1.00 0.00 H new ATOM 0 HA SER A 24 -0.683 3.440 9.218 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.478 2.250 10.495 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.602 0.743 10.309 1.00 0.00 H new ATOM 0 HG SER A 24 -1.151 1.777 12.335 1.00 0.00 H new ATOM 380 N TYR A 25 0.561 0.542 8.309 1.00 0.00 N ATOM 381 CA TYR A 25 1.802 -0.182 8.067 1.00 0.00 C ATOM 382 C TYR A 25 2.597 0.462 6.935 1.00 0.00 C ATOM 383 O TYR A 25 3.821 0.574 7.005 1.00 0.00 O ATOM 384 CB TYR A 25 1.507 -1.644 7.728 1.00 0.00 C ATOM 385 CG TYR A 25 2.749 -2.479 7.515 1.00 0.00 C ATOM 386 CD1 TYR A 25 3.455 -2.417 6.320 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.217 -3.331 8.509 1.00 0.00 C ATOM 388 CE1 TYR A 25 4.591 -3.179 6.120 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.352 -4.094 8.319 1.00 0.00 C ATOM 390 CZ TYR A 25 5.035 -4.016 7.123 1.00 0.00 C ATOM 391 OH TYR A 25 6.166 -4.775 6.929 1.00 0.00 O ATOM 0 H TYR A 25 -0.276 0.071 7.965 1.00 0.00 H new ATOM 0 HA TYR A 25 2.400 -0.140 8.977 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.918 -2.083 8.533 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.894 -1.683 6.827 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.110 -1.762 5.534 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.684 -3.397 9.446 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.128 -3.120 5.185 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.703 -4.749 9.103 1.00 0.00 H new ATOM 0 HH TYR A 25 6.343 -5.309 7.731 1.00 0.00 H new ATOM 401 N PHE A 26 1.891 0.887 5.893 1.00 0.00 N ATOM 402 CA PHE A 26 2.528 1.521 4.744 1.00 0.00 C ATOM 403 C PHE A 26 3.596 2.514 5.195 1.00 0.00 C ATOM 404 O PHE A 26 4.619 2.686 4.533 1.00 0.00 O ATOM 405 CB PHE A 26 1.484 2.233 3.883 1.00 0.00 C ATOM 406 CG PHE A 26 2.052 2.841 2.632 1.00 0.00 C ATOM 407 CD1 PHE A 26 2.801 2.077 1.752 1.00 0.00 C ATOM 408 CD2 PHE A 26 1.836 4.179 2.337 1.00 0.00 C ATOM 409 CE1 PHE A 26 3.325 2.634 0.601 1.00 0.00 C ATOM 410 CE2 PHE A 26 2.358 4.740 1.187 1.00 0.00 C ATOM 411 CZ PHE A 26 3.104 3.968 0.319 1.00 0.00 C ATOM 0 H PHE A 26 0.877 0.804 5.820 1.00 0.00 H new ATOM 0 HA PHE A 26 3.007 0.743 4.150 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.704 1.522 3.610 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.009 3.016 4.475 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.977 1.034 1.968 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.254 4.788 3.013 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.907 2.027 -0.077 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.182 5.783 0.967 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.514 4.406 -0.579 1.00 0.00 H new ATOM 421 N ALA A 27 3.347 3.168 6.325 1.00 0.00 N ATOM 422 CA ALA A 27 4.286 4.144 6.865 1.00 0.00 C ATOM 423 C ALA A 27 5.473 3.454 7.528 1.00 0.00 C ATOM 424 O ALA A 27 6.593 3.964 7.502 1.00 0.00 O ATOM 425 CB ALA A 27 3.583 5.059 7.857 1.00 0.00 C ATOM 0 H ALA A 27 2.503 3.040 6.884 1.00 0.00 H new ATOM 0 HA ALA A 27 4.664 4.745 6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.296 5.783 8.253 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.772 5.586 7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.177 4.465 8.676 1.00 0.00 H new ATOM 431 N ILE A 28 5.221 2.293 8.122 1.00 0.00 N ATOM 432 CA ILE A 28 6.271 1.533 8.791 1.00 0.00 C ATOM 433 C ILE A 28 7.224 0.905 7.782 1.00 0.00 C ATOM 434 O ILE A 28 8.439 1.069 7.875 1.00 0.00 O ATOM 435 CB ILE A 28 5.681 0.424 9.684 1.00 0.00 C ATOM 436 CG1 ILE A 28 4.643 1.009 10.643 1.00 0.00 C ATOM 437 CG2 ILE A 28 6.788 -0.279 10.455 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.724 -0.030 11.246 1.00 0.00 C ATOM 0 H ILE A 28 4.299 1.857 8.154 1.00 0.00 H new ATOM 0 HA ILE A 28 6.821 2.237 9.415 1.00 0.00 H new ATOM 0 HB ILE A 28 5.186 -0.310 9.048 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.158 1.536 11.446 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.044 1.747 10.110 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.356 -1.060 11.081 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.493 -0.725 9.754 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.309 0.443 11.083 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.014 0.456 11.915 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.181 -0.541 10.451 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.313 -0.755 11.807 1.00 0.00 H new ATOM 450 N ASN A 29 6.663 0.185 6.815 1.00 0.00 N ATOM 451 CA ASN A 29 7.464 -0.467 5.785 1.00 0.00 C ATOM 452 C ASN A 29 6.752 -0.428 4.436 1.00 0.00 C ATOM 453 O ASN A 29 5.550 -0.681 4.349 1.00 0.00 O ATOM 454 CB ASN A 29 7.755 -1.917 6.178 1.00 0.00 C ATOM 455 CG ASN A 29 8.659 -2.615 5.182 1.00 0.00 C ATOM 456 OD1 ASN A 29 9.332 -1.970 4.379 1.00 0.00 O ATOM 457 ND2 ASN A 29 8.680 -3.942 5.231 1.00 0.00 N ATOM 0 H ASN A 29 5.658 0.039 6.723 1.00 0.00 H new ATOM 0 HA ASN A 29 8.406 0.075 5.695 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.221 -1.937 7.163 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.816 -2.464 6.258 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.271 -4.467 4.586 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.105 -4.436 5.914 1.00 0.00 H new ATOM 464 N HIS A 30 7.502 -0.108 3.387 1.00 0.00 N ATOM 465 CA HIS A 30 6.943 -0.037 2.041 1.00 0.00 C ATOM 466 C HIS A 30 6.870 -1.423 1.408 1.00 0.00 C ATOM 467 O HIS A 30 5.827 -1.830 0.899 1.00 0.00 O ATOM 468 CB HIS A 30 7.784 0.893 1.166 1.00 0.00 C ATOM 469 CG HIS A 30 7.495 2.346 1.385 1.00 0.00 C ATOM 470 ND1 HIS A 30 7.754 3.315 0.439 1.00 0.00 N ATOM 471 CD2 HIS A 30 6.965 2.993 2.449 1.00 0.00 C ATOM 472 CE1 HIS A 30 7.397 4.496 0.913 1.00 0.00 C ATOM 473 NE2 HIS A 30 6.915 4.327 2.131 1.00 0.00 N ATOM 0 H HIS A 30 8.498 0.106 3.442 1.00 0.00 H new ATOM 0 HA HIS A 30 5.931 0.362 2.115 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.840 0.707 1.363 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.608 0.650 0.118 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.642 2.543 3.376 1.00 0.00 H new ATOM 0 HE1 HIS A 30 7.485 5.439 0.393 1.00 0.00 H new ATOM 0 HE2 HIS A 30 6.563 5.068 2.737 1.00 0.00 H new ATOM 482 N ASN A 31 7.987 -2.143 1.444 1.00 0.00 N ATOM 483 CA ASN A 31 8.050 -3.484 0.873 1.00 0.00 C ATOM 484 C ASN A 31 8.103 -4.541 1.971 1.00 0.00 C ATOM 485 O ASN A 31 9.167 -5.050 2.326 1.00 0.00 O ATOM 486 CB ASN A 31 9.273 -3.617 -0.037 1.00 0.00 C ATOM 487 CG ASN A 31 10.546 -3.131 0.630 1.00 0.00 C ATOM 488 OD1 ASN A 31 11.363 -3.930 1.087 1.00 0.00 O ATOM 489 ND2 ASN A 31 10.718 -1.816 0.689 1.00 0.00 N ATOM 0 H ASN A 31 8.860 -1.821 1.862 1.00 0.00 H new ATOM 0 HA ASN A 31 7.147 -3.643 0.283 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.394 -4.660 -0.328 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.105 -3.048 -0.952 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.555 -1.430 1.127 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.014 -1.191 0.297 1.00 0.00 H new ATOM 496 N PRO A 32 6.929 -4.881 2.523 1.00 0.00 N ATOM 497 CA PRO A 32 6.815 -5.882 3.589 1.00 0.00 C ATOM 498 C PRO A 32 7.100 -7.294 3.090 1.00 0.00 C ATOM 499 O PRO A 32 6.500 -7.753 2.118 1.00 0.00 O ATOM 500 CB PRO A 32 5.356 -5.757 4.037 1.00 0.00 C ATOM 501 CG PRO A 32 4.640 -5.213 2.850 1.00 0.00 C ATOM 502 CD PRO A 32 5.622 -4.315 2.150 1.00 0.00 C ATOM 0 HA PRO A 32 7.537 -5.712 4.388 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.950 -6.723 4.336 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.261 -5.092 4.895 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.308 -6.016 2.192 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.750 -4.659 3.151 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.474 -4.323 1.070 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.524 -3.280 2.478 1.00 0.00 H new ATOM 510 N ASP A 33 8.020 -7.979 3.761 1.00 0.00 N ATOM 511 CA ASP A 33 8.385 -9.340 3.387 1.00 0.00 C ATOM 512 C ASP A 33 7.186 -10.277 3.512 1.00 0.00 C ATOM 513 O ASP A 33 6.202 -9.956 4.177 1.00 0.00 O ATOM 514 CB ASP A 33 9.534 -9.843 4.263 1.00 0.00 C ATOM 515 CG ASP A 33 10.534 -8.751 4.587 1.00 0.00 C ATOM 516 OD1 ASP A 33 11.019 -8.090 3.644 1.00 0.00 O ATOM 517 OD2 ASP A 33 10.831 -8.555 5.784 1.00 0.00 O ATOM 0 H ASP A 33 8.527 -7.613 4.567 1.00 0.00 H new ATOM 0 HA ASP A 33 8.710 -9.330 2.347 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.130 -10.248 5.190 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.045 -10.660 3.754 1.00 0.00 H new ATOM 522 N ALA A 34 7.278 -11.435 2.867 1.00 0.00 N ATOM 523 CA ALA A 34 6.203 -12.418 2.907 1.00 0.00 C ATOM 524 C ALA A 34 5.706 -12.631 4.333 1.00 0.00 C ATOM 525 O ALA A 34 4.503 -12.740 4.572 1.00 0.00 O ATOM 526 CB ALA A 34 6.671 -13.737 2.308 1.00 0.00 C ATOM 0 H ALA A 34 8.086 -11.715 2.311 1.00 0.00 H new ATOM 0 HA ALA A 34 5.373 -12.035 2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.858 -14.462 2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.971 -13.580 1.272 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.520 -14.115 2.878 1.00 0.00 H new ATOM 532 N LYS A 35 6.638 -12.688 5.278 1.00 0.00 N ATOM 533 CA LYS A 35 6.295 -12.886 6.681 1.00 0.00 C ATOM 534 C LYS A 35 5.235 -11.885 7.128 1.00 0.00 C ATOM 535 O LYS A 35 4.279 -12.244 7.816 1.00 0.00 O ATOM 536 CB LYS A 35 7.542 -12.750 7.556 1.00 0.00 C ATOM 537 CG LYS A 35 7.326 -13.185 8.995 1.00 0.00 C ATOM 538 CD LYS A 35 6.762 -12.055 9.841 1.00 0.00 C ATOM 539 CE LYS A 35 6.584 -12.479 11.291 1.00 0.00 C ATOM 540 NZ LYS A 35 7.884 -12.550 12.013 1.00 0.00 N ATOM 0 H LYS A 35 7.638 -12.600 5.097 1.00 0.00 H new ATOM 0 HA LYS A 35 5.889 -13.892 6.792 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.346 -13.344 7.122 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.872 -11.711 7.545 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.644 -14.035 9.021 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.272 -13.522 9.420 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.429 -11.194 9.792 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.802 -11.738 9.433 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.926 -11.773 11.797 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.095 -13.453 11.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.716 -12.809 13.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.491 -13.267 11.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.355 -11.624 11.972 1.00 0.00 H new ATOM 554 N ASP A 36 5.409 -10.629 6.733 1.00 0.00 N ATOM 555 CA ASP A 36 4.466 -9.576 7.091 1.00 0.00 C ATOM 556 C ASP A 36 3.206 -9.661 6.236 1.00 0.00 C ATOM 557 O ASP A 36 2.114 -9.305 6.682 1.00 0.00 O ATOM 558 CB ASP A 36 5.117 -8.202 6.927 1.00 0.00 C ATOM 559 CG ASP A 36 4.298 -7.094 7.563 1.00 0.00 C ATOM 560 OD1 ASP A 36 4.221 -7.052 8.809 1.00 0.00 O ATOM 561 OD2 ASP A 36 3.736 -6.269 6.814 1.00 0.00 O ATOM 0 H ASP A 36 6.195 -10.315 6.164 1.00 0.00 H new ATOM 0 HA ASP A 36 4.185 -9.714 8.135 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.111 -8.218 7.374 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.249 -7.990 5.866 1.00 0.00 H new ATOM 566 N LEU A 37 3.363 -10.134 5.005 1.00 0.00 N ATOM 567 CA LEU A 37 2.238 -10.265 4.085 1.00 0.00 C ATOM 568 C LEU A 37 1.224 -11.278 4.609 1.00 0.00 C ATOM 569 O LEU A 37 0.026 -10.997 4.671 1.00 0.00 O ATOM 570 CB LEU A 37 2.732 -10.689 2.701 1.00 0.00 C ATOM 571 CG LEU A 37 3.211 -9.563 1.786 1.00 0.00 C ATOM 572 CD1 LEU A 37 3.952 -10.129 0.585 1.00 0.00 C ATOM 573 CD2 LEU A 37 2.038 -8.706 1.335 1.00 0.00 C ATOM 0 H LEU A 37 4.259 -10.434 4.620 1.00 0.00 H new ATOM 0 HA LEU A 37 1.748 -9.294 4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.550 -11.398 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.926 -11.222 2.197 1.00 0.00 H new ATOM 0 HG LEU A 37 3.900 -8.933 2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.285 -9.312 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.816 -10.699 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.286 -10.783 0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.398 -7.909 0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.324 -9.324 0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.550 -8.270 2.206 1.00 0.00 H new ATOM 585 N LYS A 38 1.711 -12.455 4.984 1.00 0.00 N ATOM 586 CA LYS A 38 0.848 -13.509 5.505 1.00 0.00 C ATOM 587 C LYS A 38 0.157 -13.062 6.790 1.00 0.00 C ATOM 588 O LYS A 38 -0.983 -13.438 7.054 1.00 0.00 O ATOM 589 CB LYS A 38 1.660 -14.779 5.766 1.00 0.00 C ATOM 590 CG LYS A 38 2.767 -14.594 6.789 1.00 0.00 C ATOM 591 CD LYS A 38 3.285 -15.928 7.299 1.00 0.00 C ATOM 592 CE LYS A 38 3.941 -15.787 8.664 1.00 0.00 C ATOM 593 NZ LYS A 38 2.936 -15.755 9.762 1.00 0.00 N ATOM 0 H LYS A 38 2.699 -12.704 4.937 1.00 0.00 H new ATOM 0 HA LYS A 38 0.084 -13.721 4.757 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.988 -15.566 6.109 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.097 -15.120 4.828 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.587 -14.032 6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.395 -14.003 7.626 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.461 -16.639 7.362 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.005 -16.336 6.589 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.628 -16.618 8.824 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.535 -14.873 8.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.423 -15.658 10.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.296 -14.947 9.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.386 -16.638 9.755 1.00 0.00 H new ATOM 607 N GLN A 39 0.857 -12.257 7.583 1.00 0.00 N ATOM 608 CA GLN A 39 0.310 -11.759 8.840 1.00 0.00 C ATOM 609 C GLN A 39 -0.834 -10.782 8.586 1.00 0.00 C ATOM 610 O GLN A 39 -1.904 -10.894 9.187 1.00 0.00 O ATOM 611 CB GLN A 39 1.405 -11.076 9.662 1.00 0.00 C ATOM 612 CG GLN A 39 2.275 -12.049 10.441 1.00 0.00 C ATOM 613 CD GLN A 39 3.114 -11.361 11.500 1.00 0.00 C ATOM 614 OE1 GLN A 39 2.946 -11.604 12.696 1.00 0.00 O ATOM 615 NE2 GLN A 39 4.024 -10.497 11.066 1.00 0.00 N ATOM 0 H GLN A 39 1.803 -11.936 7.378 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.079 -12.609 9.400 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.037 -10.490 8.995 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.942 -10.377 10.359 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.641 -12.798 10.915 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.931 -12.578 9.750 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.129 -10.326 10.066 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.618 -10.004 11.733 1.00 0.00 H new ATOM 624 N LEU A 40 -0.603 -9.827 7.693 1.00 0.00 N ATOM 625 CA LEU A 40 -1.615 -8.830 7.359 1.00 0.00 C ATOM 626 C LEU A 40 -2.848 -9.489 6.748 1.00 0.00 C ATOM 627 O LEU A 40 -3.979 -9.171 7.112 1.00 0.00 O ATOM 628 CB LEU A 40 -1.041 -7.796 6.389 1.00 0.00 C ATOM 629 CG LEU A 40 -0.165 -6.708 7.009 1.00 0.00 C ATOM 630 CD1 LEU A 40 0.658 -6.010 5.937 1.00 0.00 C ATOM 631 CD2 LEU A 40 -1.020 -5.703 7.766 1.00 0.00 C ATOM 0 H LEU A 40 0.276 -9.721 7.187 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.913 -8.328 8.280 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.454 -8.321 5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.870 -7.315 5.870 1.00 0.00 H new ATOM 0 HG LEU A 40 0.520 -7.178 7.715 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.275 -5.239 6.397 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.298 -6.738 5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.009 -5.553 5.206 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.380 -4.935 8.201 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.729 -5.239 7.080 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.565 -6.214 8.560 1.00 0.00 H new ATOM 643 N ALA A 41 -2.619 -10.411 5.818 1.00 0.00 N ATOM 644 CA ALA A 41 -3.711 -11.118 5.159 1.00 0.00 C ATOM 645 C ALA A 41 -4.815 -11.470 6.151 1.00 0.00 C ATOM 646 O ALA A 41 -5.987 -11.550 5.785 1.00 0.00 O ATOM 647 CB ALA A 41 -3.190 -12.376 4.479 1.00 0.00 C ATOM 0 H ALA A 41 -1.688 -10.686 5.504 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.135 -10.457 4.403 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.015 -12.894 3.991 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.442 -12.104 3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.739 -13.032 5.224 1.00 0.00 H new ATOM 653 N GLN A 42 -4.431 -11.680 7.406 1.00 0.00 N ATOM 654 CA GLN A 42 -5.390 -12.024 8.450 1.00 0.00 C ATOM 655 C GLN A 42 -6.001 -10.770 9.064 1.00 0.00 C ATOM 656 O GLN A 42 -7.221 -10.657 9.189 1.00 0.00 O ATOM 657 CB GLN A 42 -4.713 -12.861 9.536 1.00 0.00 C ATOM 658 CG GLN A 42 -4.398 -14.283 9.101 1.00 0.00 C ATOM 659 CD GLN A 42 -4.371 -15.257 10.263 1.00 0.00 C ATOM 660 OE1 GLN A 42 -5.122 -15.111 11.228 1.00 0.00 O ATOM 661 NE2 GLN A 42 -3.504 -16.259 10.177 1.00 0.00 N ATOM 0 H GLN A 42 -3.464 -11.618 7.725 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.190 -12.609 7.995 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.788 -12.369 9.838 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.359 -12.893 10.414 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.142 -14.610 8.375 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.432 -14.299 8.596 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.900 -16.342 9.359 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.442 -16.945 10.929 1.00 0.00 H new ATOM 670 N LYS A 43 -5.145 -9.827 9.447 1.00 0.00 N ATOM 671 CA LYS A 43 -5.599 -8.579 10.048 1.00 0.00 C ATOM 672 C LYS A 43 -6.635 -7.894 9.162 1.00 0.00 C ATOM 673 O LYS A 43 -7.462 -7.118 9.642 1.00 0.00 O ATOM 674 CB LYS A 43 -4.414 -7.641 10.283 1.00 0.00 C ATOM 675 CG LYS A 43 -3.483 -8.103 11.391 1.00 0.00 C ATOM 676 CD LYS A 43 -2.210 -7.275 11.432 1.00 0.00 C ATOM 677 CE LYS A 43 -1.118 -7.969 12.232 1.00 0.00 C ATOM 678 NZ LYS A 43 -1.413 -7.965 13.692 1.00 0.00 N ATOM 0 H LYS A 43 -4.132 -9.904 9.351 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.064 -8.814 11.006 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.846 -7.548 9.357 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.791 -6.648 10.527 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.995 -8.032 12.351 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.231 -9.153 11.241 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.859 -7.095 10.416 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.422 -6.301 11.873 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.012 -8.997 11.886 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.165 -7.472 12.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.646 -8.447 14.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.490 -6.984 14.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.310 -8.462 13.866 1.00 0.00 H new ATOM 692 N THR A 44 -6.587 -8.187 7.866 1.00 0.00 N ATOM 693 CA THR A 44 -7.520 -7.600 6.914 1.00 0.00 C ATOM 694 C THR A 44 -8.429 -8.664 6.308 1.00 0.00 C ATOM 695 O THR A 44 -9.476 -8.351 5.743 1.00 0.00 O ATOM 696 CB THR A 44 -6.779 -6.868 5.780 1.00 0.00 C ATOM 697 OG1 THR A 44 -6.088 -7.813 4.956 1.00 0.00 O ATOM 698 CG2 THR A 44 -5.790 -5.858 6.342 1.00 0.00 C ATOM 0 H THR A 44 -5.911 -8.828 7.452 1.00 0.00 H new ATOM 0 HA THR A 44 -8.125 -6.881 7.466 1.00 0.00 H new ATOM 0 HB THR A 44 -7.516 -6.334 5.180 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.409 -8.277 5.489 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.279 -5.354 5.522 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.324 -5.122 6.944 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.058 -6.373 6.964 1.00 0.00 H new ATOM 706 N GLY A 45 -8.022 -9.924 6.431 1.00 0.00 N ATOM 707 CA GLY A 45 -8.812 -11.014 5.890 1.00 0.00 C ATOM 708 C GLY A 45 -8.539 -11.255 4.419 1.00 0.00 C ATOM 709 O GLY A 45 -8.807 -12.339 3.899 1.00 0.00 O ATOM 0 H GLY A 45 -7.160 -10.209 6.895 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.599 -11.925 6.450 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.871 -10.795 6.028 1.00 0.00 H new ATOM 713 N LEU A 46 -8.004 -10.243 3.745 1.00 0.00 N ATOM 714 CA LEU A 46 -7.695 -10.349 2.323 1.00 0.00 C ATOM 715 C LEU A 46 -6.603 -11.385 2.078 1.00 0.00 C ATOM 716 O LEU A 46 -5.965 -11.865 3.017 1.00 0.00 O ATOM 717 CB LEU A 46 -7.258 -8.990 1.773 1.00 0.00 C ATOM 718 CG LEU A 46 -8.119 -7.793 2.178 1.00 0.00 C ATOM 719 CD1 LEU A 46 -7.389 -6.490 1.893 1.00 0.00 C ATOM 720 CD2 LEU A 46 -9.456 -7.828 1.452 1.00 0.00 C ATOM 0 H LEU A 46 -7.775 -9.340 4.160 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.598 -10.671 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.234 -8.802 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.242 -9.049 0.685 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.309 -7.852 3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.017 -5.649 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.458 -6.463 2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.168 -6.422 0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.056 -6.969 1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.287 -7.794 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.985 -8.746 1.707 1.00 0.00 H new ATOM 732 N THR A 47 -6.389 -11.725 0.811 1.00 0.00 N ATOM 733 CA THR A 47 -5.373 -12.702 0.443 1.00 0.00 C ATOM 734 C THR A 47 -4.006 -12.045 0.296 1.00 0.00 C ATOM 735 O THR A 47 -3.896 -10.820 0.248 1.00 0.00 O ATOM 736 CB THR A 47 -5.732 -13.416 -0.874 1.00 0.00 C ATOM 737 OG1 THR A 47 -5.521 -12.534 -1.983 1.00 0.00 O ATOM 738 CG2 THR A 47 -7.180 -13.883 -0.860 1.00 0.00 C ATOM 0 H THR A 47 -6.907 -11.338 0.022 1.00 0.00 H new ATOM 0 HA THR A 47 -5.335 -13.437 1.247 1.00 0.00 H new ATOM 0 HB THR A 47 -5.087 -14.288 -0.976 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.750 -12.996 -2.816 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.410 -14.384 -1.800 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.331 -14.577 -0.033 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.838 -13.023 -0.737 1.00 0.00 H new ATOM 746 N LYS A 48 -2.964 -12.867 0.223 1.00 0.00 N ATOM 747 CA LYS A 48 -1.602 -12.367 0.078 1.00 0.00 C ATOM 748 C LYS A 48 -1.466 -11.516 -1.181 1.00 0.00 C ATOM 749 O LYS A 48 -0.867 -10.441 -1.152 1.00 0.00 O ATOM 750 CB LYS A 48 -0.611 -13.532 0.029 1.00 0.00 C ATOM 751 CG LYS A 48 0.843 -13.095 0.074 1.00 0.00 C ATOM 752 CD LYS A 48 1.760 -14.248 0.449 1.00 0.00 C ATOM 753 CE LYS A 48 3.196 -13.978 0.027 1.00 0.00 C ATOM 754 NZ LYS A 48 3.972 -15.238 -0.134 1.00 0.00 N ATOM 0 H LYS A 48 -3.037 -13.884 0.262 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.377 -11.743 0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.807 -14.200 0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.782 -14.105 -0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.135 -12.698 -0.898 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.959 -12.287 0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.721 -14.410 1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.407 -15.164 -0.024 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.201 -13.426 -0.913 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.680 -13.345 0.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.945 -15.012 -0.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.989 -15.753 0.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.524 -15.831 -0.862 1.00 0.00 H new ATOM 768 N ARG A 49 -2.026 -12.004 -2.282 1.00 0.00 N ATOM 769 CA ARG A 49 -1.967 -11.288 -3.551 1.00 0.00 C ATOM 770 C ARG A 49 -2.555 -9.886 -3.412 1.00 0.00 C ATOM 771 O ARG A 49 -1.878 -8.890 -3.669 1.00 0.00 O ATOM 772 CB ARG A 49 -2.719 -12.062 -4.635 1.00 0.00 C ATOM 773 CG ARG A 49 -2.855 -11.302 -5.944 1.00 0.00 C ATOM 774 CD ARG A 49 -1.627 -11.481 -6.821 1.00 0.00 C ATOM 775 NE ARG A 49 -1.727 -12.665 -7.670 1.00 0.00 N ATOM 776 CZ ARG A 49 -0.768 -13.058 -8.500 1.00 0.00 C ATOM 777 NH1 ARG A 49 0.359 -12.365 -8.592 1.00 0.00 N ATOM 778 NH2 ARG A 49 -0.934 -14.148 -9.240 1.00 0.00 N ATOM 0 H ARG A 49 -2.526 -12.892 -2.322 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.920 -11.198 -3.839 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.201 -13.003 -4.823 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.713 -12.314 -4.266 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.739 -11.650 -6.478 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.005 -10.242 -5.737 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.496 -10.597 -7.446 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.741 -11.560 -6.191 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.581 -13.221 -7.623 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.491 -11.528 -8.024 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.094 -12.669 -9.230 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.799 -14.684 -9.171 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.197 -14.449 -9.877 1.00 0.00 H new ATOM 792 N VAL A 50 -3.818 -9.818 -3.005 1.00 0.00 N ATOM 793 CA VAL A 50 -4.497 -8.539 -2.832 1.00 0.00 C ATOM 794 C VAL A 50 -3.605 -7.537 -2.109 1.00 0.00 C ATOM 795 O VAL A 50 -3.426 -6.407 -2.565 1.00 0.00 O ATOM 796 CB VAL A 50 -5.811 -8.704 -2.044 1.00 0.00 C ATOM 797 CG1 VAL A 50 -6.440 -7.347 -1.766 1.00 0.00 C ATOM 798 CG2 VAL A 50 -6.776 -9.604 -2.800 1.00 0.00 C ATOM 0 H VAL A 50 -4.392 -10.633 -2.789 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.725 -8.163 -3.829 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.585 -9.176 -1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.367 -7.483 -1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.750 -6.739 -1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.654 -6.845 -2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.698 -9.709 -2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.999 -9.163 -3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.323 -10.585 -2.942 1.00 0.00 H new ATOM 808 N LEU A 51 -3.047 -7.957 -0.979 1.00 0.00 N ATOM 809 CA LEU A 51 -2.172 -7.096 -0.192 1.00 0.00 C ATOM 810 C LEU A 51 -1.019 -6.570 -1.040 1.00 0.00 C ATOM 811 O LEU A 51 -0.783 -5.363 -1.103 1.00 0.00 O ATOM 812 CB LEU A 51 -1.625 -7.859 1.016 1.00 0.00 C ATOM 813 CG LEU A 51 -2.668 -8.453 1.963 1.00 0.00 C ATOM 814 CD1 LEU A 51 -2.037 -9.509 2.858 1.00 0.00 C ATOM 815 CD2 LEU A 51 -3.312 -7.358 2.801 1.00 0.00 C ATOM 0 H LEU A 51 -3.185 -8.889 -0.587 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.758 -6.246 0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.991 -8.668 0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.987 -7.185 1.587 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.444 -8.930 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.795 -9.920 3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.623 -10.308 2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.240 -9.057 3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.052 -7.799 3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.546 -6.853 3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.800 -6.637 2.145 1.00 0.00 H new ATOM 827 N GLN A 52 -0.306 -7.483 -1.691 1.00 0.00 N ATOM 828 CA GLN A 52 0.822 -7.109 -2.538 1.00 0.00 C ATOM 829 C GLN A 52 0.435 -5.988 -3.496 1.00 0.00 C ATOM 830 O GLN A 52 0.994 -4.892 -3.443 1.00 0.00 O ATOM 831 CB GLN A 52 1.318 -8.322 -3.327 1.00 0.00 C ATOM 832 CG GLN A 52 2.393 -9.119 -2.605 1.00 0.00 C ATOM 833 CD GLN A 52 3.700 -8.360 -2.485 1.00 0.00 C ATOM 834 OE1 GLN A 52 4.598 -8.514 -3.313 1.00 0.00 O ATOM 835 NE2 GLN A 52 3.812 -7.535 -1.451 1.00 0.00 N ATOM 0 H GLN A 52 -0.488 -8.486 -1.649 1.00 0.00 H new ATOM 0 HA GLN A 52 1.625 -6.750 -1.894 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.473 -8.977 -3.540 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.710 -7.985 -4.287 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.037 -9.382 -1.609 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.567 -10.053 -3.139 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.042 -7.439 -0.789 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.668 -6.997 -1.318 1.00 0.00 H new ATOM 844 N VAL A 53 -0.524 -6.269 -4.373 1.00 0.00 N ATOM 845 CA VAL A 53 -0.986 -5.284 -5.343 1.00 0.00 C ATOM 846 C VAL A 53 -1.279 -3.947 -4.672 1.00 0.00 C ATOM 847 O VAL A 53 -0.695 -2.922 -5.025 1.00 0.00 O ATOM 848 CB VAL A 53 -2.252 -5.767 -6.075 1.00 0.00 C ATOM 849 CG1 VAL A 53 -2.735 -4.714 -7.059 1.00 0.00 C ATOM 850 CG2 VAL A 53 -1.987 -7.088 -6.782 1.00 0.00 C ATOM 0 H VAL A 53 -0.996 -7.171 -4.431 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.183 -5.155 -6.069 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.038 -5.927 -5.337 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.630 -5.074 -7.566 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.967 -3.794 -6.523 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.955 -4.518 -7.795 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.892 -7.415 -7.294 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.186 -6.957 -7.509 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.693 -7.840 -6.050 1.00 0.00 H new ATOM 860 N TRP A 54 -2.188 -3.965 -3.703 1.00 0.00 N ATOM 861 CA TRP A 54 -2.558 -2.753 -2.980 1.00 0.00 C ATOM 862 C TRP A 54 -1.323 -1.942 -2.607 1.00 0.00 C ATOM 863 O TRP A 54 -1.161 -0.803 -3.044 1.00 0.00 O ATOM 864 CB TRP A 54 -3.351 -3.108 -1.722 1.00 0.00 C ATOM 865 CG TRP A 54 -3.826 -1.907 -0.961 1.00 0.00 C ATOM 866 CD1 TRP A 54 -5.012 -1.249 -1.124 1.00 0.00 C ATOM 867 CD2 TRP A 54 -3.125 -1.221 0.082 1.00 0.00 C ATOM 868 NE1 TRP A 54 -5.089 -0.194 -0.247 1.00 0.00 N ATOM 869 CE2 TRP A 54 -3.945 -0.156 0.505 1.00 0.00 C ATOM 870 CE3 TRP A 54 -1.885 -1.403 0.700 1.00 0.00 C ATOM 871 CZ2 TRP A 54 -3.563 0.720 1.517 1.00 0.00 C ATOM 872 CZ3 TRP A 54 -1.507 -0.531 1.704 1.00 0.00 C ATOM 873 CH2 TRP A 54 -2.343 0.519 2.105 1.00 0.00 C ATOM 0 H TRP A 54 -2.682 -4.804 -3.400 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.182 -2.145 -3.635 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.212 -3.715 -2.003 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.729 -3.720 -1.069 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.777 -1.518 -1.837 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.871 0.456 -0.169 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.234 -2.210 0.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.206 1.530 1.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.550 -0.662 2.188 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.019 1.183 2.893 1.00 0.00 H new ATOM 884 N PHE A 55 -0.453 -2.536 -1.796 1.00 0.00 N ATOM 885 CA PHE A 55 0.768 -1.868 -1.363 1.00 0.00 C ATOM 886 C PHE A 55 1.546 -1.327 -2.559 1.00 0.00 C ATOM 887 O PHE A 55 1.969 -0.172 -2.566 1.00 0.00 O ATOM 888 CB PHE A 55 1.646 -2.832 -0.563 1.00 0.00 C ATOM 889 CG PHE A 55 1.356 -2.825 0.911 1.00 0.00 C ATOM 890 CD1 PHE A 55 0.403 -3.678 1.447 1.00 0.00 C ATOM 891 CD2 PHE A 55 2.034 -1.966 1.760 1.00 0.00 C ATOM 892 CE1 PHE A 55 0.135 -3.674 2.803 1.00 0.00 C ATOM 893 CE2 PHE A 55 1.769 -1.958 3.116 1.00 0.00 C ATOM 894 CZ PHE A 55 0.817 -2.812 3.638 1.00 0.00 C ATOM 0 H PHE A 55 -0.572 -3.479 -1.426 1.00 0.00 H new ATOM 0 HA PHE A 55 0.487 -1.030 -0.726 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.506 -3.842 -0.948 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.693 -2.573 -0.720 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.136 -4.353 0.798 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.778 -1.295 1.358 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.608 -4.345 3.209 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.306 -1.284 3.767 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.607 -2.805 4.697 1.00 0.00 H new ATOM 904 N GLN A 56 1.730 -2.173 -3.569 1.00 0.00 N ATOM 905 CA GLN A 56 2.458 -1.780 -4.769 1.00 0.00 C ATOM 906 C GLN A 56 1.822 -0.554 -5.415 1.00 0.00 C ATOM 907 O GLN A 56 2.516 0.301 -5.963 1.00 0.00 O ATOM 908 CB GLN A 56 2.494 -2.937 -5.770 1.00 0.00 C ATOM 909 CG GLN A 56 3.528 -4.000 -5.433 1.00 0.00 C ATOM 910 CD GLN A 56 3.244 -5.325 -6.111 1.00 0.00 C ATOM 911 OE1 GLN A 56 2.088 -5.684 -6.341 1.00 0.00 O ATOM 912 NE2 GLN A 56 4.299 -6.064 -6.435 1.00 0.00 N ATOM 0 H GLN A 56 1.385 -3.133 -3.579 1.00 0.00 H new ATOM 0 HA GLN A 56 3.478 -1.527 -4.478 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.509 -3.401 -5.812 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.703 -2.541 -6.764 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.516 -3.648 -5.731 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.554 -4.147 -4.353 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.240 -5.729 -6.226 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.169 -6.966 -6.892 1.00 0.00 H new ATOM 921 N ASN A 57 0.497 -0.476 -5.347 1.00 0.00 N ATOM 922 CA ASN A 57 -0.233 0.646 -5.927 1.00 0.00 C ATOM 923 C ASN A 57 0.013 1.925 -5.132 1.00 0.00 C ATOM 924 O ASN A 57 0.083 3.015 -5.698 1.00 0.00 O ATOM 925 CB ASN A 57 -1.732 0.340 -5.967 1.00 0.00 C ATOM 926 CG ASN A 57 -2.136 -0.401 -7.228 1.00 0.00 C ATOM 927 OD1 ASN A 57 -2.936 0.094 -8.023 1.00 0.00 O ATOM 928 ND2 ASN A 57 -1.585 -1.594 -7.415 1.00 0.00 N ATOM 0 H ASN A 57 -0.093 -1.176 -4.896 1.00 0.00 H new ATOM 0 HA ASN A 57 0.129 0.795 -6.944 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.002 -0.257 -5.096 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.293 1.272 -5.901 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.820 -2.140 -8.244 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.927 -1.965 -6.730 1.00 0.00 H new ATOM 935 N ALA A 58 0.146 1.781 -3.817 1.00 0.00 N ATOM 936 CA ALA A 58 0.389 2.924 -2.945 1.00 0.00 C ATOM 937 C ALA A 58 1.651 3.672 -3.359 1.00 0.00 C ATOM 938 O ALA A 58 1.609 4.868 -3.649 1.00 0.00 O ATOM 939 CB ALA A 58 0.492 2.470 -1.497 1.00 0.00 C ATOM 0 H ALA A 58 0.090 0.885 -3.333 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.454 3.608 -3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.674 3.333 -0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.439 1.987 -1.200 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.316 1.763 -1.395 1.00 0.00 H new ATOM 945 N ARG A 59 2.773 2.961 -3.382 1.00 0.00 N ATOM 946 CA ARG A 59 4.049 3.559 -3.758 1.00 0.00 C ATOM 947 C ARG A 59 3.903 4.402 -5.021 1.00 0.00 C ATOM 948 O ARG A 59 4.487 5.480 -5.129 1.00 0.00 O ATOM 949 CB ARG A 59 5.101 2.470 -3.978 1.00 0.00 C ATOM 950 CG ARG A 59 5.607 1.844 -2.689 1.00 0.00 C ATOM 951 CD ARG A 59 6.470 0.621 -2.965 1.00 0.00 C ATOM 952 NE ARG A 59 7.865 0.979 -3.209 1.00 0.00 N ATOM 953 CZ ARG A 59 8.832 0.086 -3.384 1.00 0.00 C ATOM 954 NH1 ARG A 59 8.558 -1.211 -3.342 1.00 0.00 N ATOM 955 NH2 ARG A 59 10.078 0.490 -3.600 1.00 0.00 N ATOM 0 H ARG A 59 2.825 1.970 -3.145 1.00 0.00 H new ATOM 0 HA ARG A 59 4.372 4.208 -2.944 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.677 1.689 -4.609 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.945 2.896 -4.521 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.184 2.579 -2.128 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.760 1.560 -2.064 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.414 -0.061 -2.117 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.076 0.087 -3.830 1.00 0.00 H new ATOM 0 HE ARG A 59 8.110 1.969 -3.247 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.602 -1.525 -3.175 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.303 -1.894 -3.477 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.293 1.487 -3.632 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.821 -0.196 -3.734 1.00 0.00 H new