USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 386 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 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0455 K(o=-0.045,f=-1.7) USER MOD Single : A 19 GLN : amide:sc= -0.747 X(o=-0.75,f=-0.69) USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.116) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 91:sc= 0.0196 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.419 USER MOD Single : A 34 GLN : amide:sc= -0.0554 X(o=-0.055,f=-0.055) USER MOD Single : A 37 GLN : amide:sc= -0.231 K(o=-0.23,f=-0.88) USER MOD Single : A 38 SER OG : rot 75:sc= 0.326 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 46 ASN : amide:sc= -0.0195 X(o=-0.02,f=-0.0073) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.267) USER MOD Single : A 55 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.16) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 182 N PHE A 13 9.215 -0.372 -6.390 1.00 0.00 N ATOM 183 CA PHE A 13 8.846 0.859 -5.733 1.00 0.00 C ATOM 184 C PHE A 13 10.105 1.609 -5.413 1.00 0.00 C ATOM 185 O PHE A 13 11.206 1.065 -5.479 1.00 0.00 O ATOM 186 CB PHE A 13 8.067 0.658 -4.404 1.00 0.00 C ATOM 187 CG PHE A 13 6.723 -0.018 -4.564 1.00 0.00 C ATOM 188 CD1 PHE A 13 6.034 -0.143 -5.789 1.00 0.00 C ATOM 189 CD2 PHE A 13 6.101 -0.505 -3.403 1.00 0.00 C ATOM 190 CE1 PHE A 13 4.786 -0.775 -5.847 1.00 0.00 C ATOM 191 CE2 PHE A 13 4.849 -1.121 -3.457 1.00 0.00 C ATOM 192 CZ PHE A 13 4.191 -1.264 -4.681 1.00 0.00 C ATOM 0 HA PHE A 13 8.186 1.395 -6.415 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.679 0.066 -3.724 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.918 1.630 -3.934 1.00 0.00 H new ATOM 0 HD1 PHE A 13 6.474 0.253 -6.692 1.00 0.00 H new ATOM 0 HD2 PHE A 13 6.600 -0.401 -2.451 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.282 -0.885 -6.796 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.389 -1.487 -2.551 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.228 -1.750 -4.726 1.00 0.00 H new ATOM 202 N THR A 14 9.939 2.902 -5.058 1.00 0.00 N ATOM 203 CA THR A 14 11.016 3.773 -4.653 1.00 0.00 C ATOM 204 C THR A 14 10.928 3.876 -3.153 1.00 0.00 C ATOM 205 O THR A 14 10.062 3.263 -2.533 1.00 0.00 O ATOM 206 CB THR A 14 10.976 5.149 -5.316 1.00 0.00 C ATOM 207 OG1 THR A 14 9.760 5.843 -5.059 1.00 0.00 O ATOM 208 CG2 THR A 14 11.166 4.986 -6.837 1.00 0.00 C ATOM 0 H THR A 14 9.027 3.359 -5.052 1.00 0.00 H new ATOM 0 HA THR A 14 11.969 3.354 -4.976 1.00 0.00 H new ATOM 0 HB THR A 14 11.784 5.744 -4.889 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.782 6.717 -5.502 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.138 5.966 -7.314 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.128 4.513 -7.035 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.366 4.364 -7.239 1.00 0.00 H new ATOM 216 N ALA A 15 11.836 4.666 -2.536 1.00 0.00 N ATOM 217 CA ALA A 15 11.906 4.861 -1.107 1.00 0.00 C ATOM 218 C ALA A 15 10.748 5.690 -0.619 1.00 0.00 C ATOM 219 O ALA A 15 10.277 5.506 0.500 1.00 0.00 O ATOM 220 CB ALA A 15 13.202 5.583 -0.698 1.00 0.00 C ATOM 0 H ALA A 15 12.547 5.188 -3.047 1.00 0.00 H new ATOM 0 HA ALA A 15 11.879 3.868 -0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.220 5.713 0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.062 4.989 -1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.243 6.559 -1.181 1.00 0.00 H new ATOM 226 N GLU A 16 10.264 6.618 -1.478 1.00 0.00 N ATOM 227 CA GLU A 16 9.199 7.541 -1.194 1.00 0.00 C ATOM 228 C GLU A 16 7.863 6.854 -1.222 1.00 0.00 C ATOM 229 O GLU A 16 6.937 7.258 -0.517 1.00 0.00 O ATOM 230 CB GLU A 16 9.168 8.673 -2.243 1.00 0.00 C ATOM 231 CG GLU A 16 10.470 9.491 -2.280 1.00 0.00 C ATOM 232 CD GLU A 16 10.347 10.607 -3.318 1.00 0.00 C ATOM 233 OE1 GLU A 16 10.196 10.277 -4.525 1.00 0.00 O ATOM 234 OE2 GLU A 16 10.403 11.800 -2.918 1.00 0.00 O ATOM 0 H GLU A 16 10.637 6.728 -2.421 1.00 0.00 H new ATOM 0 HA GLU A 16 9.386 7.947 -0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.987 8.243 -3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.333 9.339 -2.027 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.672 9.916 -1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.311 8.843 -2.526 1.00 0.00 H new ATOM 241 N GLN A 17 7.743 5.786 -2.044 1.00 0.00 N ATOM 242 CA GLN A 17 6.513 5.058 -2.226 1.00 0.00 C ATOM 243 C GLN A 17 6.329 4.106 -1.086 1.00 0.00 C ATOM 244 O GLN A 17 5.274 4.109 -0.459 1.00 0.00 O ATOM 245 CB GLN A 17 6.454 4.303 -3.570 1.00 0.00 C ATOM 246 CG GLN A 17 6.317 5.276 -4.754 1.00 0.00 C ATOM 247 CD GLN A 17 6.207 4.497 -6.069 1.00 0.00 C ATOM 248 OE1 GLN A 17 6.649 3.347 -6.168 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.599 5.156 -7.101 1.00 0.00 N ATOM 0 H GLN A 17 8.519 5.419 -2.595 1.00 0.00 H new ATOM 0 HA GLN A 17 5.701 5.785 -2.246 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.356 3.703 -3.692 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.610 3.613 -3.565 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.435 5.903 -4.619 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.179 5.942 -4.788 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.252 6.105 -6.966 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.493 4.698 -8.006 1.00 0.00 H new ATOM 258 N LEU A 18 7.383 3.316 -0.761 1.00 0.00 N ATOM 259 CA LEU A 18 7.458 2.411 0.364 1.00 0.00 C ATOM 260 C LEU A 18 7.100 3.072 1.672 1.00 0.00 C ATOM 261 O LEU A 18 6.334 2.505 2.445 1.00 0.00 O ATOM 262 CB LEU A 18 8.887 1.840 0.519 1.00 0.00 C ATOM 263 CG LEU A 18 9.286 0.807 -0.560 1.00 0.00 C ATOM 264 CD1 LEU A 18 10.806 0.559 -0.553 1.00 0.00 C ATOM 265 CD2 LEU A 18 8.520 -0.519 -0.412 1.00 0.00 C ATOM 0 H LEU A 18 8.237 3.309 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 18 6.737 1.622 0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.599 2.665 0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.974 1.373 1.500 1.00 0.00 H new ATOM 0 HG LEU A 18 9.007 1.235 -1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.059 -0.171 -1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.328 1.494 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.108 0.179 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.836 -1.211 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.731 -0.954 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.450 -0.333 -0.503 1.00 0.00 H new ATOM 277 N GLN A 19 7.629 4.297 1.918 1.00 0.00 N ATOM 278 CA GLN A 19 7.453 5.096 3.117 1.00 0.00 C ATOM 279 C GLN A 19 6.007 5.311 3.464 1.00 0.00 C ATOM 280 O GLN A 19 5.590 5.101 4.602 1.00 0.00 O ATOM 281 CB GLN A 19 8.154 6.469 2.940 1.00 0.00 C ATOM 282 CG GLN A 19 8.061 7.455 4.126 1.00 0.00 C ATOM 283 CD GLN A 19 6.768 8.288 4.123 1.00 0.00 C ATOM 284 OE1 GLN A 19 5.979 8.225 5.072 1.00 0.00 O ATOM 285 NE2 GLN A 19 6.566 9.086 3.029 1.00 0.00 N ATOM 0 H GLN A 19 8.222 4.765 1.232 1.00 0.00 H new ATOM 0 HA GLN A 19 7.905 4.542 3.940 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.208 6.288 2.730 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.733 6.955 2.060 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.123 6.896 5.060 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.919 8.127 4.099 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.251 9.099 2.274 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.730 9.668 2.969 1.00 0.00 H new ATOM 294 N ARG A 20 5.221 5.732 2.453 1.00 0.00 N ATOM 295 CA ARG A 20 3.814 6.050 2.536 1.00 0.00 C ATOM 296 C ARG A 20 2.988 4.843 2.906 1.00 0.00 C ATOM 297 O ARG A 20 2.058 4.949 3.703 1.00 0.00 O ATOM 298 CB ARG A 20 3.330 6.640 1.188 1.00 0.00 C ATOM 299 CG ARG A 20 1.916 7.256 1.171 1.00 0.00 C ATOM 300 CD ARG A 20 0.791 6.274 0.794 1.00 0.00 C ATOM 301 NE ARG A 20 -0.507 7.022 0.681 1.00 0.00 N ATOM 302 CZ ARG A 20 -1.331 7.266 1.746 1.00 0.00 C ATOM 303 NH1 ARG A 20 -1.002 6.862 3.007 1.00 0.00 N ATOM 304 NH2 ARG A 20 -2.509 7.926 1.539 1.00 0.00 N ATOM 0 H ARG A 20 5.589 5.861 1.510 1.00 0.00 H new ATOM 0 HA ARG A 20 3.682 6.790 3.326 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.039 7.407 0.878 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.366 5.850 0.438 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.703 7.670 2.156 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.905 8.088 0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.024 5.783 -0.151 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.708 5.492 1.548 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.789 7.366 -0.237 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.126 6.367 3.171 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.632 7.055 3.785 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.765 8.230 0.600 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.133 8.115 2.324 1.00 0.00 H new ATOM 318 N LEU A 21 3.332 3.660 2.344 1.00 0.00 N ATOM 319 CA LEU A 21 2.623 2.415 2.549 1.00 0.00 C ATOM 320 C LEU A 21 2.880 1.843 3.916 1.00 0.00 C ATOM 321 O LEU A 21 2.030 1.151 4.471 1.00 0.00 O ATOM 322 CB LEU A 21 3.060 1.328 1.542 1.00 0.00 C ATOM 323 CG LEU A 21 2.926 1.756 0.069 1.00 0.00 C ATOM 324 CD1 LEU A 21 3.641 0.770 -0.867 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.459 1.968 -0.351 1.00 0.00 C ATOM 0 H LEU A 21 4.135 3.563 1.722 1.00 0.00 H new ATOM 0 HA LEU A 21 1.570 2.665 2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.098 1.059 1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.461 0.432 1.706 1.00 0.00 H new ATOM 0 HG LEU A 21 3.420 2.723 -0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.527 1.101 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.700 0.730 -0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.203 -0.222 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.420 2.269 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.905 1.039 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.013 2.747 0.267 1.00 0.00 H new ATOM 337 N LYS A 22 4.075 2.121 4.482 1.00 0.00 N ATOM 338 CA LYS A 22 4.520 1.624 5.763 1.00 0.00 C ATOM 339 C LYS A 22 3.957 2.471 6.867 1.00 0.00 C ATOM 340 O LYS A 22 3.847 2.012 8.000 1.00 0.00 O ATOM 341 CB LYS A 22 6.060 1.640 5.861 1.00 0.00 C ATOM 342 CG LYS A 22 6.692 0.542 4.996 1.00 0.00 C ATOM 343 CD LYS A 22 8.162 0.798 4.645 1.00 0.00 C ATOM 344 CE LYS A 22 8.809 -0.385 3.914 1.00 0.00 C ATOM 345 NZ LYS A 22 10.220 -0.095 3.572 1.00 0.00 N ATOM 0 H LYS A 22 4.765 2.720 4.029 1.00 0.00 H new ATOM 0 HA LYS A 22 4.168 0.597 5.861 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.435 2.614 5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.361 1.504 6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.614 -0.410 5.521 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.120 0.445 4.073 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.233 1.689 4.021 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.719 1.004 5.559 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.759 -1.275 4.541 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.249 -0.604 3.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.571 -0.815 2.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.284 0.844 3.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.797 -0.110 4.437 1.00 0.00 H new ATOM 359 N ALA A 23 3.564 3.726 6.554 1.00 0.00 N ATOM 360 CA ALA A 23 2.903 4.614 7.477 1.00 0.00 C ATOM 361 C ALA A 23 1.441 4.259 7.540 1.00 0.00 C ATOM 362 O ALA A 23 0.815 4.359 8.594 1.00 0.00 O ATOM 363 CB ALA A 23 3.017 6.084 7.033 1.00 0.00 C ATOM 0 H ALA A 23 3.710 4.137 5.632 1.00 0.00 H new ATOM 0 HA ALA A 23 3.383 4.501 8.449 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.507 6.722 7.754 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.068 6.367 6.978 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.557 6.205 6.052 1.00 0.00 H new ATOM 369 N GLU A 24 0.879 3.823 6.386 1.00 0.00 N ATOM 370 CA GLU A 24 -0.520 3.524 6.213 1.00 0.00 C ATOM 371 C GLU A 24 -0.864 2.230 6.896 1.00 0.00 C ATOM 372 O GLU A 24 -1.771 2.208 7.726 1.00 0.00 O ATOM 373 CB GLU A 24 -0.898 3.431 4.709 1.00 0.00 C ATOM 374 CG GLU A 24 -2.377 3.149 4.374 1.00 0.00 C ATOM 375 CD GLU A 24 -3.271 4.343 4.719 1.00 0.00 C ATOM 376 OE1 GLU A 24 -3.457 4.627 5.933 1.00 0.00 O ATOM 377 OE2 GLU A 24 -3.794 4.980 3.766 1.00 0.00 O ATOM 0 H GLU A 24 1.424 3.673 5.537 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.089 4.338 6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.615 4.368 4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.293 2.646 4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.472 2.917 3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.714 2.270 4.924 1.00 0.00 H new ATOM 384 N PHE A 25 -0.141 1.132 6.562 1.00 0.00 N ATOM 385 CA PHE A 25 -0.470 -0.221 6.954 1.00 0.00 C ATOM 386 C PHE A 25 -0.174 -0.472 8.417 1.00 0.00 C ATOM 387 O PHE A 25 -0.788 -1.341 9.033 1.00 0.00 O ATOM 388 CB PHE A 25 0.308 -1.251 6.088 1.00 0.00 C ATOM 389 CG PHE A 25 -0.286 -2.639 6.163 1.00 0.00 C ATOM 390 CD1 PHE A 25 -1.562 -2.895 5.634 1.00 0.00 C ATOM 391 CD2 PHE A 25 0.422 -3.695 6.765 1.00 0.00 C ATOM 392 CE1 PHE A 25 -2.122 -4.176 5.706 1.00 0.00 C ATOM 393 CE2 PHE A 25 -0.140 -4.975 6.848 1.00 0.00 C ATOM 394 CZ PHE A 25 -1.414 -5.215 6.319 1.00 0.00 C ATOM 0 H PHE A 25 0.706 1.187 5.997 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.541 -0.345 6.793 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.313 -0.918 5.050 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.347 -1.286 6.417 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.117 -2.095 5.167 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.408 -3.517 7.167 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.100 -4.362 5.288 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.409 -5.777 7.320 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.849 -6.201 6.384 1.00 0.00 H new ATOM 404 N GLN A 26 0.776 0.296 9.006 1.00 0.00 N ATOM 405 CA GLN A 26 1.206 0.135 10.378 1.00 0.00 C ATOM 406 C GLN A 26 0.133 0.589 11.328 1.00 0.00 C ATOM 407 O GLN A 26 -0.203 -0.121 12.274 1.00 0.00 O ATOM 408 CB GLN A 26 2.487 0.953 10.662 1.00 0.00 C ATOM 409 CG GLN A 26 3.058 0.797 12.084 1.00 0.00 C ATOM 410 CD GLN A 26 4.334 1.636 12.221 1.00 0.00 C ATOM 411 OE1 GLN A 26 4.346 2.646 12.934 1.00 0.00 O ATOM 412 NE2 GLN A 26 5.424 1.199 11.518 1.00 0.00 N ATOM 0 H GLN A 26 1.259 1.049 8.517 1.00 0.00 H new ATOM 0 HA GLN A 26 1.411 -0.925 10.527 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.254 0.660 9.945 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.273 2.007 10.486 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.320 1.116 12.820 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.277 -0.252 12.286 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.357 0.358 10.945 1.00 0.00 H new ATOM 0 HE22 GLN A 26 6.303 1.714 11.567 1.00 0.00 H new ATOM 421 N THR A 27 -0.431 1.795 11.076 1.00 0.00 N ATOM 422 CA THR A 27 -1.421 2.422 11.920 1.00 0.00 C ATOM 423 C THR A 27 -2.721 1.695 11.750 1.00 0.00 C ATOM 424 O THR A 27 -3.184 0.989 12.644 1.00 0.00 O ATOM 425 CB THR A 27 -1.595 3.902 11.598 1.00 0.00 C ATOM 426 OG1 THR A 27 -0.337 4.562 11.678 1.00 0.00 O ATOM 427 CG2 THR A 27 -2.571 4.564 12.595 1.00 0.00 C ATOM 0 H THR A 27 -0.190 2.354 10.257 1.00 0.00 H new ATOM 0 HA THR A 27 -1.084 2.363 12.955 1.00 0.00 H new ATOM 0 HB THR A 27 -2.000 3.988 10.590 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.093 4.554 10.798 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.682 5.620 12.349 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.542 4.073 12.534 1.00 0.00 H new ATOM 0 HG23 THR A 27 -2.179 4.467 13.607 1.00 0.00 H new ATOM 435 N ASN A 28 -3.315 1.862 10.557 1.00 0.00 N ATOM 436 CA ASN A 28 -4.559 1.282 10.166 1.00 0.00 C ATOM 437 C ASN A 28 -4.209 0.100 9.319 1.00 0.00 C ATOM 438 O ASN A 28 -3.674 0.245 8.222 1.00 0.00 O ATOM 439 CB ASN A 28 -5.372 2.273 9.309 1.00 0.00 C ATOM 440 CG ASN A 28 -5.811 3.475 10.155 1.00 0.00 C ATOM 441 OD1 ASN A 28 -5.336 4.598 9.942 1.00 0.00 O ATOM 442 ND2 ASN A 28 -6.739 3.222 11.126 1.00 0.00 N ATOM 0 H ASN A 28 -2.901 2.436 9.822 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.154 1.016 11.039 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.771 2.613 8.466 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.247 1.773 8.895 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.075 3.980 11.720 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.096 2.275 11.256 1.00 0.00 H new ATOM 449 N ARG A 29 -4.502 -1.120 9.819 1.00 0.00 N ATOM 450 CA ARG A 29 -4.186 -2.341 9.114 1.00 0.00 C ATOM 451 C ARG A 29 -5.151 -2.519 7.986 1.00 0.00 C ATOM 452 O ARG A 29 -4.736 -2.786 6.861 1.00 0.00 O ATOM 453 CB ARG A 29 -4.258 -3.609 10.002 1.00 0.00 C ATOM 454 CG ARG A 29 -3.372 -4.771 9.500 1.00 0.00 C ATOM 455 CD ARG A 29 -4.121 -6.031 9.028 1.00 0.00 C ATOM 456 NE ARG A 29 -4.977 -5.703 7.844 1.00 0.00 N ATOM 457 CZ ARG A 29 -5.648 -6.652 7.123 1.00 0.00 C ATOM 458 NH1 ARG A 29 -5.516 -7.979 7.411 1.00 0.00 N ATOM 459 NH2 ARG A 29 -6.464 -6.260 6.102 1.00 0.00 N ATOM 0 H ARG A 29 -4.961 -1.266 10.718 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.158 -2.237 8.768 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.959 -3.348 11.017 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.293 -3.948 10.052 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.759 -4.406 8.676 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.691 -5.056 10.302 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.407 -6.812 8.766 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.738 -6.422 9.837 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.064 -4.727 7.562 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.909 -8.277 8.175 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.024 -8.673 6.863 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.568 -5.269 5.884 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.970 -6.958 5.557 1.00 0.00 H new ATOM 473 N TYR A 30 -6.463 -2.383 8.301 1.00 0.00 N ATOM 474 CA TYR A 30 -7.568 -2.779 7.472 1.00 0.00 C ATOM 475 C TYR A 30 -7.664 -1.902 6.262 1.00 0.00 C ATOM 476 O TYR A 30 -8.183 -0.787 6.288 1.00 0.00 O ATOM 477 CB TYR A 30 -8.900 -2.782 8.251 1.00 0.00 C ATOM 478 CG TYR A 30 -8.785 -3.758 9.395 1.00 0.00 C ATOM 479 CD1 TYR A 30 -8.702 -5.140 9.140 1.00 0.00 C ATOM 480 CD2 TYR A 30 -8.696 -3.306 10.723 1.00 0.00 C ATOM 481 CE1 TYR A 30 -8.522 -6.049 10.189 1.00 0.00 C ATOM 482 CE2 TYR A 30 -8.521 -4.213 11.774 1.00 0.00 C ATOM 483 CZ TYR A 30 -8.431 -5.587 11.508 1.00 0.00 C ATOM 484 OH TYR A 30 -8.247 -6.502 12.569 1.00 0.00 O ATOM 0 H TYR A 30 -6.765 -1.973 9.185 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.379 -3.802 7.146 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.121 -1.783 8.627 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.722 -3.065 7.594 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.778 -5.502 8.125 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.763 -2.249 10.934 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -8.453 -7.107 9.981 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -8.455 -3.855 12.791 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.204 -6.014 13.418 1.00 0.00 H new ATOM 494 N LEU A 31 -7.091 -2.448 5.174 1.00 0.00 N ATOM 495 CA LEU A 31 -6.861 -1.802 3.915 1.00 0.00 C ATOM 496 C LEU A 31 -8.036 -2.146 3.041 1.00 0.00 C ATOM 497 O LEU A 31 -8.359 -3.321 2.870 1.00 0.00 O ATOM 498 CB LEU A 31 -5.546 -2.347 3.311 1.00 0.00 C ATOM 499 CG LEU A 31 -4.719 -1.396 2.416 1.00 0.00 C ATOM 500 CD1 LEU A 31 -5.468 -0.884 1.183 1.00 0.00 C ATOM 501 CD2 LEU A 31 -4.071 -0.229 3.180 1.00 0.00 C ATOM 0 H LEU A 31 -6.764 -3.414 5.174 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.765 -0.721 4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.909 -2.673 4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.788 -3.234 2.725 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.913 -2.035 2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.817 -0.224 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.766 -1.729 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.355 -0.335 1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.508 0.393 2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.847 0.370 3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.398 -0.622 3.942 1.00 0.00 H new ATOM 513 N THR A 32 -8.723 -1.115 2.493 1.00 0.00 N ATOM 514 CA THR A 32 -9.934 -1.282 1.723 1.00 0.00 C ATOM 515 C THR A 32 -9.572 -1.173 0.277 1.00 0.00 C ATOM 516 O THR A 32 -8.419 -0.938 -0.060 1.00 0.00 O ATOM 517 CB THR A 32 -11.043 -0.308 2.111 1.00 0.00 C ATOM 518 OG1 THR A 32 -10.720 1.048 1.838 1.00 0.00 O ATOM 519 CG2 THR A 32 -11.260 -0.440 3.623 1.00 0.00 C ATOM 0 H THR A 32 -8.431 -0.142 2.586 1.00 0.00 H new ATOM 0 HA THR A 32 -10.354 -2.265 1.937 1.00 0.00 H new ATOM 0 HB THR A 32 -11.927 -0.558 1.524 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.467 1.623 2.106 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.048 0.243 3.938 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.550 -1.463 3.861 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.336 -0.194 4.146 1.00 0.00 H new ATOM 527 N GLU A 33 -10.573 -1.336 -0.611 1.00 0.00 N ATOM 528 CA GLU A 33 -10.449 -1.132 -2.034 1.00 0.00 C ATOM 529 C GLU A 33 -10.357 0.349 -2.300 1.00 0.00 C ATOM 530 O GLU A 33 -9.687 0.791 -3.230 1.00 0.00 O ATOM 531 CB GLU A 33 -11.686 -1.730 -2.750 1.00 0.00 C ATOM 532 CG GLU A 33 -11.631 -1.789 -4.291 1.00 0.00 C ATOM 533 CD GLU A 33 -11.977 -0.452 -4.948 1.00 0.00 C ATOM 534 OE1 GLU A 33 -13.063 0.105 -4.634 1.00 0.00 O ATOM 535 OE2 GLU A 33 -11.163 0.023 -5.785 1.00 0.00 O ATOM 0 H GLU A 33 -11.511 -1.622 -0.330 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.554 -1.627 -2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.840 -2.742 -2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.561 -1.147 -2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.632 -2.094 -4.603 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.323 -2.553 -4.646 1.00 0.00 H new ATOM 542 N GLN A 34 -11.036 1.137 -1.436 1.00 0.00 N ATOM 543 CA GLN A 34 -11.223 2.561 -1.570 1.00 0.00 C ATOM 544 C GLN A 34 -9.967 3.293 -1.181 1.00 0.00 C ATOM 545 O GLN A 34 -9.581 4.272 -1.815 1.00 0.00 O ATOM 546 CB GLN A 34 -12.402 3.042 -0.690 1.00 0.00 C ATOM 547 CG GLN A 34 -12.718 4.548 -0.748 1.00 0.00 C ATOM 548 CD GLN A 34 -13.080 4.965 -2.179 1.00 0.00 C ATOM 549 OE1 GLN A 34 -14.043 4.448 -2.758 1.00 0.00 O ATOM 550 NE2 GLN A 34 -12.287 5.924 -2.749 1.00 0.00 N ATOM 0 H GLN A 34 -11.479 0.761 -0.598 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.453 2.777 -2.613 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.296 2.492 -0.983 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.189 2.775 0.345 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.544 4.779 -0.075 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.857 5.120 -0.403 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.505 6.317 -2.225 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.478 6.246 -3.698 1.00 0.00 H new ATOM 559 N ARG A 35 -9.285 2.794 -0.129 1.00 0.00 N ATOM 560 CA ARG A 35 -8.020 3.291 0.342 1.00 0.00 C ATOM 561 C ARG A 35 -6.947 2.902 -0.615 1.00 0.00 C ATOM 562 O ARG A 35 -6.091 3.721 -0.920 1.00 0.00 O ATOM 563 CB ARG A 35 -7.626 2.657 1.687 1.00 0.00 C ATOM 564 CG ARG A 35 -8.247 3.384 2.891 1.00 0.00 C ATOM 565 CD ARG A 35 -8.399 2.552 4.165 1.00 0.00 C ATOM 566 NE ARG A 35 -7.080 1.936 4.493 1.00 0.00 N ATOM 567 CZ ARG A 35 -6.252 2.348 5.499 1.00 0.00 C ATOM 568 NH1 ARG A 35 -6.453 3.525 6.156 1.00 0.00 N ATOM 569 NH2 ARG A 35 -5.183 1.570 5.841 1.00 0.00 N ATOM 0 H ARG A 35 -9.631 2.007 0.420 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.123 4.371 0.443 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.939 1.613 1.697 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.540 2.665 1.784 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.635 4.256 3.120 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.231 3.753 2.601 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.738 3.180 4.989 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.153 1.778 4.023 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.773 1.148 3.923 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.238 4.124 5.901 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.818 3.807 6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.011 0.694 5.347 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.556 1.865 6.590 1.00 0.00 H new ATOM 583 N ARG A 36 -6.976 1.631 -1.088 1.00 0.00 N ATOM 584 CA ARG A 36 -5.951 1.056 -1.945 1.00 0.00 C ATOM 585 C ARG A 36 -5.773 1.788 -3.247 1.00 0.00 C ATOM 586 O ARG A 36 -4.662 1.890 -3.764 1.00 0.00 O ATOM 587 CB ARG A 36 -6.217 -0.424 -2.292 1.00 0.00 C ATOM 588 CG ARG A 36 -4.999 -1.154 -2.885 1.00 0.00 C ATOM 589 CD ARG A 36 -5.132 -2.685 -2.897 1.00 0.00 C ATOM 590 NE ARG A 36 -5.294 -3.156 -1.482 1.00 0.00 N ATOM 591 CZ ARG A 36 -5.344 -4.474 -1.126 1.00 0.00 C ATOM 592 NH1 ARG A 36 -5.242 -5.459 -2.062 1.00 0.00 N ATOM 593 NH2 ARG A 36 -5.500 -4.805 0.190 1.00 0.00 N ATOM 0 H ARG A 36 -7.731 0.980 -0.872 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.045 1.148 -1.346 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.538 -0.946 -1.391 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.042 -0.478 -3.002 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.841 -0.805 -3.906 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.112 -0.881 -2.314 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.990 -2.987 -3.498 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.250 -3.139 -3.350 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.371 -2.454 -0.746 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.126 -5.217 -3.046 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.281 -6.438 -1.778 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.578 -4.072 0.895 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.539 -5.786 0.468 1.00 0.00 H new ATOM 607 N GLN A 37 -6.884 2.330 -3.794 1.00 0.00 N ATOM 608 CA GLN A 37 -6.868 3.020 -5.065 1.00 0.00 C ATOM 609 C GLN A 37 -6.551 4.477 -4.878 1.00 0.00 C ATOM 610 O GLN A 37 -6.376 5.200 -5.856 1.00 0.00 O ATOM 611 CB GLN A 37 -8.192 2.905 -5.846 1.00 0.00 C ATOM 612 CG GLN A 37 -9.366 3.642 -5.186 1.00 0.00 C ATOM 613 CD GLN A 37 -10.673 3.275 -5.896 1.00 0.00 C ATOM 614 OE1 GLN A 37 -10.667 2.812 -7.043 1.00 0.00 O ATOM 615 NE2 GLN A 37 -11.821 3.501 -5.188 1.00 0.00 N ATOM 0 H GLN A 37 -7.804 2.292 -3.355 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.091 2.528 -5.650 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.046 3.300 -6.851 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.450 1.851 -5.952 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.427 3.376 -4.131 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.205 4.719 -5.234 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.771 3.885 -4.244 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.727 3.286 -5.604 1.00 0.00 H new ATOM 624 N SER A 38 -6.452 4.940 -3.608 1.00 0.00 N ATOM 625 CA SER A 38 -6.034 6.287 -3.299 1.00 0.00 C ATOM 626 C SER A 38 -4.541 6.283 -3.156 1.00 0.00 C ATOM 627 O SER A 38 -3.889 7.300 -3.373 1.00 0.00 O ATOM 628 CB SER A 38 -6.614 6.834 -1.983 1.00 0.00 C ATOM 629 OG SER A 38 -8.032 6.894 -2.044 1.00 0.00 O ATOM 0 H SER A 38 -6.664 4.374 -2.786 1.00 0.00 H new ATOM 0 HA SER A 38 -6.395 6.923 -4.107 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.308 6.198 -1.153 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.211 7.828 -1.788 1.00 0.00 H new ATOM 0 HG SER A 38 -8.402 5.990 -1.960 1.00 0.00 H new ATOM 635 N LEU A 39 -3.955 5.107 -2.821 1.00 0.00 N ATOM 636 CA LEU A 39 -2.524 4.915 -2.786 1.00 0.00 C ATOM 637 C LEU A 39 -2.066 4.777 -4.212 1.00 0.00 C ATOM 638 O LEU A 39 -0.949 5.144 -4.562 1.00 0.00 O ATOM 639 CB LEU A 39 -2.070 3.625 -2.058 1.00 0.00 C ATOM 640 CG LEU A 39 -2.844 3.260 -0.771 1.00 0.00 C ATOM 641 CD1 LEU A 39 -2.355 1.924 -0.192 1.00 0.00 C ATOM 642 CD2 LEU A 39 -2.862 4.354 0.309 1.00 0.00 C ATOM 0 H LEU A 39 -4.485 4.273 -2.569 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.102 5.764 -2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.152 2.791 -2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.015 3.727 -1.806 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.882 3.160 -1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.917 1.692 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.506 1.132 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.294 1.998 0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.428 4.004 1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.840 4.582 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.330 5.253 -0.092 1.00 0.00 H new ATOM 654 N ALA A 40 -2.966 4.237 -5.072 1.00 0.00 N ATOM 655 CA ALA A 40 -2.706 4.029 -6.473 1.00 0.00 C ATOM 656 C ALA A 40 -2.723 5.337 -7.207 1.00 0.00 C ATOM 657 O ALA A 40 -2.002 5.528 -8.181 1.00 0.00 O ATOM 658 CB ALA A 40 -3.775 3.142 -7.121 1.00 0.00 C ATOM 0 H ALA A 40 -3.898 3.938 -4.783 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.730 3.549 -6.540 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.545 3.008 -8.178 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.790 2.171 -6.627 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.751 3.616 -7.020 1.00 0.00 H new ATOM 664 N GLN A 41 -3.561 6.287 -6.739 1.00 0.00 N ATOM 665 CA GLN A 41 -3.746 7.563 -7.377 1.00 0.00 C ATOM 666 C GLN A 41 -2.533 8.425 -7.154 1.00 0.00 C ATOM 667 O GLN A 41 -2.093 9.137 -8.056 1.00 0.00 O ATOM 668 CB GLN A 41 -4.987 8.280 -6.792 1.00 0.00 C ATOM 669 CG GLN A 41 -5.342 9.613 -7.476 1.00 0.00 C ATOM 670 CD GLN A 41 -6.587 10.220 -6.816 1.00 0.00 C ATOM 671 OE1 GLN A 41 -7.163 9.651 -5.882 1.00 0.00 O ATOM 672 NE2 GLN A 41 -7.000 11.418 -7.332 1.00 0.00 N ATOM 0 H GLN A 41 -4.124 6.166 -5.897 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.893 7.399 -8.445 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.844 7.611 -6.864 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.816 8.466 -5.732 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.504 10.306 -7.400 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.525 9.450 -8.538 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.488 11.845 -8.104 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.820 11.885 -6.945 1.00 0.00 H new ATOM 681 N GLU A 42 -1.983 8.380 -5.918 1.00 0.00 N ATOM 682 CA GLU A 42 -1.075 9.405 -5.443 1.00 0.00 C ATOM 683 C GLU A 42 0.350 9.072 -5.701 1.00 0.00 C ATOM 684 O GLU A 42 1.109 9.913 -6.181 1.00 0.00 O ATOM 685 CB GLU A 42 -1.256 9.699 -3.939 1.00 0.00 C ATOM 686 CG GLU A 42 -2.659 10.245 -3.634 1.00 0.00 C ATOM 687 CD GLU A 42 -2.837 11.647 -4.218 1.00 0.00 C ATOM 688 OE1 GLU A 42 -2.099 12.569 -3.779 1.00 0.00 O ATOM 689 OE2 GLU A 42 -3.716 11.814 -5.106 1.00 0.00 O ATOM 0 H GLU A 42 -2.164 7.636 -5.244 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.334 10.297 -6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.088 8.787 -3.367 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.506 10.421 -3.616 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.412 9.575 -4.049 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.816 10.273 -2.556 1.00 0.00 H new ATOM 696 N LEU A 43 0.742 7.816 -5.409 1.00 0.00 N ATOM 697 CA LEU A 43 2.065 7.308 -5.676 1.00 0.00 C ATOM 698 C LEU A 43 2.203 7.115 -7.156 1.00 0.00 C ATOM 699 O LEU A 43 3.285 7.258 -7.723 1.00 0.00 O ATOM 700 CB LEU A 43 2.282 5.940 -4.998 1.00 0.00 C ATOM 701 CG LEU A 43 2.028 5.967 -3.477 1.00 0.00 C ATOM 702 CD1 LEU A 43 2.097 4.550 -2.890 1.00 0.00 C ATOM 703 CD2 LEU A 43 2.973 6.924 -2.730 1.00 0.00 C ATOM 0 H LEU A 43 0.124 7.130 -4.975 1.00 0.00 H new ATOM 0 HA LEU A 43 2.797 8.017 -5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.620 5.206 -5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.304 5.608 -5.183 1.00 0.00 H new ATOM 0 HG LEU A 43 1.020 6.356 -3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.915 4.592 -1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.340 3.923 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.085 4.127 -3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.747 6.900 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.006 6.613 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.837 7.938 -3.107 1.00 0.00 H new ATOM 715 N GLY A 44 1.056 6.809 -7.800 1.00 0.00 N ATOM 716 CA GLY A 44 0.965 6.638 -9.229 1.00 0.00 C ATOM 717 C GLY A 44 1.218 5.200 -9.534 1.00 0.00 C ATOM 718 O GLY A 44 1.881 4.865 -10.515 1.00 0.00 O ATOM 0 H GLY A 44 0.167 6.676 -7.317 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.020 6.937 -9.587 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.694 7.270 -9.736 1.00 0.00 H new ATOM 722 N LEU A 45 0.677 4.323 -8.662 1.00 0.00 N ATOM 723 CA LEU A 45 0.788 2.888 -8.777 1.00 0.00 C ATOM 724 C LEU A 45 -0.549 2.373 -9.238 1.00 0.00 C ATOM 725 O LEU A 45 -1.409 3.144 -9.655 1.00 0.00 O ATOM 726 CB LEU A 45 1.174 2.225 -7.431 1.00 0.00 C ATOM 727 CG LEU A 45 2.594 2.591 -6.934 1.00 0.00 C ATOM 728 CD1 LEU A 45 2.810 2.075 -5.501 1.00 0.00 C ATOM 729 CD2 LEU A 45 3.693 2.077 -7.880 1.00 0.00 C ATOM 0 H LEU A 45 0.142 4.619 -7.846 1.00 0.00 H new ATOM 0 HA LEU A 45 1.578 2.641 -9.486 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.448 2.517 -6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.105 1.142 -7.538 1.00 0.00 H new ATOM 0 HG LEU A 45 2.669 3.678 -6.929 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.813 2.340 -5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.074 2.528 -4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.697 0.991 -5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.671 2.358 -7.489 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.631 0.991 -7.954 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.557 2.517 -8.868 1.00 0.00 H new ATOM 741 N ASN A 46 -0.741 1.035 -9.194 1.00 0.00 N ATOM 742 CA ASN A 46 -2.014 0.396 -9.418 1.00 0.00 C ATOM 743 C ASN A 46 -2.442 -0.077 -8.063 1.00 0.00 C ATOM 744 O ASN A 46 -1.747 0.126 -7.073 1.00 0.00 O ATOM 745 CB ASN A 46 -1.937 -0.841 -10.350 1.00 0.00 C ATOM 746 CG ASN A 46 -1.561 -0.399 -11.768 1.00 0.00 C ATOM 747 OD1 ASN A 46 -2.347 0.294 -12.424 1.00 0.00 O ATOM 748 ND2 ASN A 46 -0.350 -0.819 -12.241 1.00 0.00 N ATOM 0 H ASN A 46 0.012 0.376 -8.997 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.693 1.100 -9.900 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.198 -1.548 -9.972 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.896 -1.359 -10.363 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.053 -0.562 -13.182 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.257 -1.390 -11.653 1.00 0.00 H new ATOM 755 N GLU A 47 -3.619 -0.735 -7.992 1.00 0.00 N ATOM 756 CA GLU A 47 -4.062 -1.465 -6.827 1.00 0.00 C ATOM 757 C GLU A 47 -3.328 -2.770 -6.752 1.00 0.00 C ATOM 758 O GLU A 47 -3.036 -3.283 -5.677 1.00 0.00 O ATOM 759 CB GLU A 47 -5.570 -1.785 -6.886 1.00 0.00 C ATOM 760 CG GLU A 47 -6.382 -0.524 -7.198 1.00 0.00 C ATOM 761 CD GLU A 47 -7.841 -0.717 -6.799 1.00 0.00 C ATOM 762 OE1 GLU A 47 -8.102 -0.912 -5.580 1.00 0.00 O ATOM 763 OE2 GLU A 47 -8.717 -0.661 -7.702 1.00 0.00 O ATOM 0 H GLU A 47 -4.285 -0.763 -8.764 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.864 -0.839 -5.957 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.756 -2.541 -7.649 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.895 -2.206 -5.934 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.962 0.328 -6.663 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.317 -0.296 -8.262 1.00 0.00 H new ATOM 770 N SER A 48 -3.048 -3.314 -7.955 1.00 0.00 N ATOM 771 CA SER A 48 -2.552 -4.643 -8.223 1.00 0.00 C ATOM 772 C SER A 48 -1.116 -4.835 -7.785 1.00 0.00 C ATOM 773 O SER A 48 -0.722 -5.943 -7.426 1.00 0.00 O ATOM 774 CB SER A 48 -2.664 -4.960 -9.737 1.00 0.00 C ATOM 775 OG SER A 48 -2.453 -6.338 -10.023 1.00 0.00 O ATOM 0 H SER A 48 -3.179 -2.781 -8.815 1.00 0.00 H new ATOM 0 HA SER A 48 -3.170 -5.327 -7.641 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.651 -4.665 -10.094 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.935 -4.363 -10.285 1.00 0.00 H new ATOM 0 HG SER A 48 -2.535 -6.488 -10.988 1.00 0.00 H new ATOM 781 N GLN A 49 -0.294 -3.762 -7.808 1.00 0.00 N ATOM 782 CA GLN A 49 1.103 -3.829 -7.470 1.00 0.00 C ATOM 783 C GLN A 49 1.278 -3.758 -5.979 1.00 0.00 C ATOM 784 O GLN A 49 2.205 -4.350 -5.428 1.00 0.00 O ATOM 785 CB GLN A 49 1.873 -2.661 -8.108 1.00 0.00 C ATOM 786 CG GLN A 49 1.764 -2.682 -9.644 1.00 0.00 C ATOM 787 CD GLN A 49 2.625 -1.586 -10.279 1.00 0.00 C ATOM 788 OE1 GLN A 49 2.230 -0.298 -10.052 1.00 0.00 O flip ATOM 789 NE2 GLN A 49 3.606 -1.887 -10.969 1.00 0.00 N flip ATOM 0 H GLN A 49 -0.607 -2.826 -8.067 1.00 0.00 H new ATOM 0 HA GLN A 49 1.494 -4.773 -7.849 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.483 -1.717 -7.728 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.922 -2.713 -7.816 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.077 -3.656 -10.019 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.723 -2.546 -9.939 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.853 -2.867 -11.104 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.168 -1.155 -11.404 1.00 0.00 H new ATOM 798 N ILE A 50 0.367 -3.031 -5.291 1.00 0.00 N ATOM 799 CA ILE A 50 0.384 -2.860 -3.860 1.00 0.00 C ATOM 800 C ILE A 50 -0.316 -4.049 -3.229 1.00 0.00 C ATOM 801 O ILE A 50 -0.156 -4.302 -2.041 1.00 0.00 O ATOM 802 CB ILE A 50 -0.275 -1.560 -3.407 1.00 0.00 C ATOM 803 CG1 ILE A 50 0.061 -0.393 -4.364 1.00 0.00 C ATOM 804 CG2 ILE A 50 0.189 -1.205 -1.975 1.00 0.00 C ATOM 805 CD1 ILE A 50 -0.720 0.877 -4.029 1.00 0.00 C ATOM 0 H ILE A 50 -0.407 -2.546 -5.745 1.00 0.00 H new ATOM 0 HA ILE A 50 1.424 -2.802 -3.538 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.354 -1.711 -3.419 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.129 -0.183 -4.316 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.159 -0.692 -5.389 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.285 -0.276 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.092 -2.007 -1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.272 -1.082 -1.964 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.448 1.667 -4.730 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.789 0.677 -4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.481 1.194 -3.014 1.00 0.00 H new ATOM 817 N LYS A 51 -1.078 -4.845 -4.025 1.00 0.00 N ATOM 818 CA LYS A 51 -1.756 -6.062 -3.613 1.00 0.00 C ATOM 819 C LYS A 51 -0.730 -7.052 -3.148 1.00 0.00 C ATOM 820 O LYS A 51 -0.832 -7.615 -2.060 1.00 0.00 O ATOM 821 CB LYS A 51 -2.542 -6.683 -4.797 1.00 0.00 C ATOM 822 CG LYS A 51 -3.640 -7.715 -4.465 1.00 0.00 C ATOM 823 CD LYS A 51 -3.183 -9.126 -4.045 1.00 0.00 C ATOM 824 CE LYS A 51 -2.326 -9.850 -5.094 1.00 0.00 C ATOM 825 NZ LYS A 51 -1.953 -11.206 -4.628 1.00 0.00 N ATOM 0 H LYS A 51 -1.231 -4.630 -5.010 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.455 -5.820 -2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.004 -5.870 -5.356 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.823 -7.160 -5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.254 -7.307 -3.662 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.283 -7.815 -5.339 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.615 -9.050 -3.118 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.063 -9.732 -3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.876 -9.922 -6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.425 -9.270 -5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.601 -11.765 -5.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.209 -11.132 -3.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.787 -11.674 -4.220 1.00 0.00 H new ATOM 839 N ILE A 52 0.318 -7.217 -3.984 1.00 0.00 N ATOM 840 CA ILE A 52 1.487 -8.029 -3.795 1.00 0.00 C ATOM 841 C ILE A 52 2.221 -7.591 -2.560 1.00 0.00 C ATOM 842 O ILE A 52 2.588 -8.419 -1.728 1.00 0.00 O ATOM 843 CB ILE A 52 2.349 -7.903 -5.047 1.00 0.00 C ATOM 844 CG1 ILE A 52 1.642 -8.580 -6.250 1.00 0.00 C ATOM 845 CG2 ILE A 52 3.767 -8.447 -4.800 1.00 0.00 C ATOM 846 CD1 ILE A 52 2.298 -8.280 -7.602 1.00 0.00 C ATOM 0 H ILE A 52 0.346 -6.732 -4.881 1.00 0.00 H new ATOM 0 HA ILE A 52 1.220 -9.076 -3.650 1.00 0.00 H new ATOM 0 HB ILE A 52 2.469 -6.849 -5.296 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.632 -9.659 -6.093 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.603 -8.252 -6.280 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.359 -8.345 -5.709 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.238 -7.883 -3.995 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.710 -9.499 -4.521 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.748 -8.788 -8.394 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.285 -7.205 -7.782 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.329 -8.633 -7.593 1.00 0.00 H new ATOM 858 N TRP A 53 2.413 -6.263 -2.416 1.00 0.00 N ATOM 859 CA TRP A 53 3.077 -5.648 -1.287 1.00 0.00 C ATOM 860 C TRP A 53 2.379 -5.922 0.029 1.00 0.00 C ATOM 861 O TRP A 53 3.052 -6.169 1.025 1.00 0.00 O ATOM 862 CB TRP A 53 3.238 -4.116 -1.477 1.00 0.00 C ATOM 863 CG TRP A 53 4.200 -3.446 -0.509 1.00 0.00 C ATOM 864 CD1 TRP A 53 5.555 -3.304 -0.617 1.00 0.00 C ATOM 865 CD2 TRP A 53 3.830 -2.867 0.755 1.00 0.00 C ATOM 866 NE1 TRP A 53 6.057 -2.669 0.494 1.00 0.00 N ATOM 867 CE2 TRP A 53 5.016 -2.396 1.353 1.00 0.00 C ATOM 868 CE3 TRP A 53 2.602 -2.738 1.399 1.00 0.00 C ATOM 869 CZ2 TRP A 53 4.993 -1.788 2.603 1.00 0.00 C ATOM 870 CZ3 TRP A 53 2.586 -2.152 2.673 1.00 0.00 C ATOM 871 CH2 TRP A 53 3.764 -1.683 3.266 1.00 0.00 C ATOM 0 H TRP A 53 2.096 -5.586 -3.110 1.00 0.00 H new ATOM 0 HA TRP A 53 4.064 -6.109 -1.246 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.579 -3.925 -2.495 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.259 -3.648 -1.375 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.146 -3.642 -1.455 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.037 -2.438 0.655 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.690 -3.079 0.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.899 -1.407 3.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.650 -2.061 3.205 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.725 -1.234 4.248 1.00 0.00 H new ATOM 882 N PHE A 54 1.026 -5.902 0.073 1.00 0.00 N ATOM 883 CA PHE A 54 0.255 -6.103 1.274 1.00 0.00 C ATOM 884 C PHE A 54 0.255 -7.548 1.681 1.00 0.00 C ATOM 885 O PHE A 54 0.226 -7.835 2.873 1.00 0.00 O ATOM 886 CB PHE A 54 -1.224 -5.665 1.109 1.00 0.00 C ATOM 887 CG PHE A 54 -1.365 -4.165 1.131 1.00 0.00 C ATOM 888 CD1 PHE A 54 -0.849 -3.419 2.208 1.00 0.00 C ATOM 889 CD2 PHE A 54 -2.032 -3.481 0.097 1.00 0.00 C ATOM 890 CE1 PHE A 54 -0.923 -2.021 2.206 1.00 0.00 C ATOM 891 CE2 PHE A 54 -2.113 -2.085 0.100 1.00 0.00 C ATOM 892 CZ PHE A 54 -1.526 -1.355 1.139 1.00 0.00 C ATOM 0 H PHE A 54 0.450 -5.741 -0.753 1.00 0.00 H new ATOM 0 HA PHE A 54 0.732 -5.487 2.036 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.616 -6.054 0.169 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.824 -6.099 1.909 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.392 -3.930 3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.486 -4.041 -0.707 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.513 -1.458 3.031 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.628 -1.571 -0.698 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.540 -0.275 1.115 1.00 0.00 H new ATOM 902 N GLN A 55 0.318 -8.494 0.713 1.00 0.00 N ATOM 903 CA GLN A 55 0.351 -9.913 0.975 1.00 0.00 C ATOM 904 C GLN A 55 1.674 -10.333 1.554 1.00 0.00 C ATOM 905 O GLN A 55 1.741 -11.317 2.287 1.00 0.00 O ATOM 906 CB GLN A 55 0.094 -10.736 -0.310 1.00 0.00 C ATOM 907 CG GLN A 55 -1.369 -10.704 -0.785 1.00 0.00 C ATOM 908 CD GLN A 55 -2.270 -11.410 0.237 1.00 0.00 C ATOM 909 OE1 GLN A 55 -2.092 -12.601 0.514 1.00 0.00 O ATOM 910 NE2 GLN A 55 -3.258 -10.649 0.800 1.00 0.00 N ATOM 0 H GLN A 55 0.347 -8.266 -0.281 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.443 -10.111 1.695 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.734 -10.357 -1.107 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.386 -11.771 -0.132 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.694 -9.672 -0.917 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.455 -11.192 -1.756 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.361 -9.669 0.535 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.892 -11.061 1.485 1.00 0.00 H new ATOM 919 N ASN A 56 2.750 -9.565 1.263 1.00 0.00 N ATOM 920 CA ASN A 56 4.067 -9.755 1.815 1.00 0.00 C ATOM 921 C ASN A 56 4.077 -9.374 3.275 1.00 0.00 C ATOM 922 O ASN A 56 4.623 -10.106 4.097 1.00 0.00 O ATOM 923 CB ASN A 56 5.118 -8.874 1.100 1.00 0.00 C ATOM 924 CG ASN A 56 5.324 -9.324 -0.354 1.00 0.00 C ATOM 925 OD1 ASN A 56 5.000 -10.454 -0.733 1.00 0.00 O ATOM 926 ND2 ASN A 56 5.892 -8.393 -1.182 1.00 0.00 N ATOM 0 H ASN A 56 2.700 -8.778 0.616 1.00 0.00 H new ATOM 0 HA ASN A 56 4.318 -10.807 1.680 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.797 -7.833 1.119 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.065 -8.925 1.637 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.065 -8.620 -2.161 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.142 -7.473 -0.820 1.00 0.00 H new ATOM 933 N LYS A 57 3.448 -8.220 3.619 1.00 0.00 N ATOM 934 CA LYS A 57 3.352 -7.705 4.975 1.00 0.00 C ATOM 935 C LYS A 57 2.493 -8.563 5.867 1.00 0.00 C ATOM 936 O LYS A 57 2.711 -8.632 7.076 1.00 0.00 O ATOM 937 CB LYS A 57 2.764 -6.274 5.049 1.00 0.00 C ATOM 938 CG LYS A 57 3.553 -5.202 4.277 1.00 0.00 C ATOM 939 CD LYS A 57 5.072 -5.202 4.509 1.00 0.00 C ATOM 940 CE LYS A 57 5.485 -4.842 5.942 1.00 0.00 C ATOM 941 NZ LYS A 57 6.960 -4.841 6.081 1.00 0.00 N ATOM 0 H LYS A 57 2.989 -7.622 2.932 1.00 0.00 H new ATOM 0 HA LYS A 57 4.387 -7.705 5.318 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.744 -6.297 4.667 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.705 -5.976 6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.366 -5.335 3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.162 -4.222 4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.466 -6.189 4.265 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.534 -4.495 3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.090 -3.860 6.203 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.050 -5.557 6.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.216 -4.595 7.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.331 -5.786 5.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.370 -4.142 5.429 1.00 0.00 H new