USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 521 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 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : A 20 HIS : no HD1:sc= -4.3! C(o=-4.3!,f=-8.7!) USER MOD Single : A 24 CYS SG : rot 83:sc= 0.163 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 150:sc= 0.406 USER MOD Single : A 35 SER OG : rot 170:sc= 0.322 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0545 X(o=-0.054,f=-0.34) USER MOD Single : A 49 LYS NZ :NH3+ -150:sc= -0.202 (180deg=-0.664) USER MOD Single : A 56 THR OG1 : rot -56:sc=-0.00563 USER MOD Single : A 58 LYS NZ :NH3+ 144:sc= -0.735 (180deg=-0.966) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.367 F(o=-1.1,f=-0.37) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.652 USER MOD Single : A 69 SER OG : rot 78:sc= 1.22 USER MOD Single : A 73 HIS : no HD1:sc= -0.749 K(o=-0.75,f=-1.4!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.678 K(o=-0.68,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 157 N ALA A 11 -7.201 -1.907 7.360 1.00 0.00 N ATOM 158 CA ALA A 11 -7.102 -0.712 6.536 1.00 0.00 C ATOM 159 C ALA A 11 -7.415 -1.042 5.083 1.00 0.00 C ATOM 160 O ALA A 11 -6.941 -2.044 4.552 1.00 0.00 O ATOM 161 CB ALA A 11 -5.717 -0.093 6.656 1.00 0.00 C ATOM 0 HA ALA A 11 -7.834 0.014 6.891 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.662 0.800 6.033 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.528 0.178 7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.967 -0.812 6.326 1.00 0.00 H new ATOM 167 N THR A 12 -8.222 -0.203 4.449 1.00 0.00 N ATOM 168 CA THR A 12 -8.598 -0.415 3.059 1.00 0.00 C ATOM 169 C THR A 12 -8.608 0.902 2.293 1.00 0.00 C ATOM 170 O THR A 12 -9.168 1.895 2.758 1.00 0.00 O ATOM 171 CB THR A 12 -9.970 -1.084 2.983 1.00 0.00 C ATOM 172 OG1 THR A 12 -10.789 -0.667 4.060 1.00 0.00 O ATOM 173 CG2 THR A 12 -9.899 -2.594 3.020 1.00 0.00 C ATOM 0 H THR A 12 -8.628 0.630 4.875 1.00 0.00 H new ATOM 0 HA THR A 12 -7.859 -1.070 2.598 1.00 0.00 H new ATOM 0 HB THR A 12 -10.390 -0.778 2.025 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.664 -1.104 3.994 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.906 -3.007 2.963 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.311 -2.951 2.174 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.428 -2.913 3.950 1.00 0.00 H new ATOM 181 N PHE A 13 -7.988 0.904 1.120 1.00 0.00 N ATOM 182 CA PHE A 13 -7.932 2.102 0.293 1.00 0.00 C ATOM 183 C PHE A 13 -8.935 2.020 -0.851 1.00 0.00 C ATOM 184 O PHE A 13 -9.210 0.940 -1.372 1.00 0.00 O ATOM 185 CB PHE A 13 -6.521 2.293 -0.268 1.00 0.00 C ATOM 186 CG PHE A 13 -6.354 3.574 -1.032 1.00 0.00 C ATOM 187 CD1 PHE A 13 -6.621 4.795 -0.433 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.932 3.557 -2.351 1.00 0.00 C ATOM 189 CE1 PHE A 13 -6.472 5.974 -1.136 1.00 0.00 C ATOM 190 CE2 PHE A 13 -5.778 4.733 -3.059 1.00 0.00 C ATOM 191 CZ PHE A 13 -6.048 5.944 -2.451 1.00 0.00 C ATOM 0 H PHE A 13 -7.518 0.092 0.721 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.188 2.957 0.919 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.805 2.272 0.554 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.281 1.454 -0.922 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.949 4.825 0.595 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.721 2.613 -2.832 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.687 6.919 -0.659 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.447 4.706 -4.087 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.928 6.865 -3.002 1.00 0.00 H new ATOM 201 N SER A 14 -9.472 3.169 -1.245 1.00 0.00 N ATOM 202 CA SER A 14 -10.436 3.225 -2.336 1.00 0.00 C ATOM 203 C SER A 14 -9.791 3.813 -3.585 1.00 0.00 C ATOM 204 O SER A 14 -8.902 4.661 -3.496 1.00 0.00 O ATOM 205 CB SER A 14 -11.651 4.063 -1.932 1.00 0.00 C ATOM 206 OG SER A 14 -12.522 3.326 -1.092 1.00 0.00 O ATOM 0 H SER A 14 -9.256 4.073 -0.825 1.00 0.00 H new ATOM 0 HA SER A 14 -10.766 2.210 -2.555 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.320 4.964 -1.416 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.188 4.385 -2.824 1.00 0.00 H new ATOM 0 HG SER A 14 -13.289 3.884 -0.846 1.00 0.00 H new ATOM 212 N LEU A 15 -10.238 3.357 -4.751 1.00 0.00 N ATOM 213 CA LEU A 15 -9.696 3.841 -6.016 1.00 0.00 C ATOM 214 C LEU A 15 -10.778 4.515 -6.854 1.00 0.00 C ATOM 215 O LEU A 15 -10.524 5.518 -7.521 1.00 0.00 O ATOM 216 CB LEU A 15 -9.065 2.686 -6.798 1.00 0.00 C ATOM 217 CG LEU A 15 -7.574 2.461 -6.526 1.00 0.00 C ATOM 218 CD1 LEU A 15 -7.062 1.252 -7.298 1.00 0.00 C ATOM 219 CD2 LEU A 15 -6.774 3.708 -6.883 1.00 0.00 C ATOM 0 H LEU A 15 -10.972 2.655 -4.846 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.928 4.582 -5.794 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.605 1.769 -6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.201 2.871 -7.864 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.444 2.263 -5.462 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.001 1.110 -7.091 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.614 0.364 -6.991 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.204 1.416 -8.366 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.717 3.532 -6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.911 3.938 -7.940 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.121 4.548 -6.281 1.00 0.00 H new ATOM 231 N GLY A 16 -11.982 3.957 -6.820 1.00 0.00 N ATOM 232 CA GLY A 16 -13.080 4.520 -7.583 1.00 0.00 C ATOM 233 C GLY A 16 -13.131 3.987 -9.001 1.00 0.00 C ATOM 234 O GLY A 16 -13.559 2.856 -9.231 1.00 0.00 O ATOM 0 H GLY A 16 -12.218 3.125 -6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -14.021 4.297 -7.080 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.982 5.605 -7.609 1.00 0.00 H new ATOM 238 N LYS A 17 -12.693 4.803 -9.954 1.00 0.00 N ATOM 239 CA LYS A 17 -12.688 4.406 -11.356 1.00 0.00 C ATOM 240 C LYS A 17 -11.464 4.964 -12.075 1.00 0.00 C ATOM 241 O LYS A 17 -11.554 5.434 -13.209 1.00 0.00 O ATOM 242 CB LYS A 17 -13.971 4.877 -12.043 1.00 0.00 C ATOM 243 CG LYS A 17 -15.060 3.817 -12.073 1.00 0.00 C ATOM 244 CD LYS A 17 -15.731 3.743 -13.434 1.00 0.00 C ATOM 245 CE LYS A 17 -16.867 2.733 -13.443 1.00 0.00 C ATOM 246 NZ LYS A 17 -17.490 2.609 -14.789 1.00 0.00 N ATOM 0 H LYS A 17 -12.337 5.743 -9.780 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.642 3.318 -11.404 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.348 5.761 -11.528 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.739 5.178 -13.064 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.631 2.846 -11.825 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -15.806 4.040 -11.310 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -16.115 4.726 -13.705 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -14.994 3.470 -14.189 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -16.490 1.760 -13.127 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -17.625 3.032 -12.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -18.260 1.911 -14.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -17.872 3.531 -15.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -16.774 2.298 -15.476 1.00 0.00 H new ATOM 260 N HIS A 18 -10.319 4.902 -11.404 1.00 0.00 N ATOM 261 CA HIS A 18 -9.070 5.393 -11.973 1.00 0.00 C ATOM 262 C HIS A 18 -8.293 4.250 -12.619 1.00 0.00 C ATOM 263 O HIS A 18 -8.572 3.079 -12.362 1.00 0.00 O ATOM 264 CB HIS A 18 -8.215 6.051 -10.888 1.00 0.00 C ATOM 265 CG HIS A 18 -8.535 7.496 -10.673 1.00 0.00 C ATOM 266 ND1 HIS A 18 -7.631 8.400 -10.155 1.00 0.00 N ATOM 267 CD2 HIS A 18 -9.671 8.197 -10.909 1.00 0.00 C ATOM 268 CE1 HIS A 18 -8.194 9.592 -10.081 1.00 0.00 C ATOM 269 NE2 HIS A 18 -9.431 9.495 -10.534 1.00 0.00 N ATOM 0 H HIS A 18 -10.230 4.516 -10.464 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.309 6.134 -12.736 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.354 5.513 -9.950 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.163 5.956 -11.158 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -10.592 7.807 -11.316 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -7.724 10.492 -9.713 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -10.101 10.262 -10.595 1.00 0.00 H new ATOM 277 N PRO A 19 -7.299 4.570 -13.466 1.00 0.00 N ATOM 278 CA PRO A 19 -6.484 3.554 -14.137 1.00 0.00 C ATOM 279 C PRO A 19 -5.772 2.644 -13.142 1.00 0.00 C ATOM 280 O PRO A 19 -5.730 1.430 -13.323 1.00 0.00 O ATOM 281 CB PRO A 19 -5.466 4.370 -14.944 1.00 0.00 C ATOM 282 CG PRO A 19 -5.481 5.729 -14.328 1.00 0.00 C ATOM 283 CD PRO A 19 -6.881 5.934 -13.831 1.00 0.00 C ATOM 0 HA PRO A 19 -7.090 2.891 -14.754 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.473 3.924 -14.891 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.741 4.412 -15.998 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.762 5.797 -13.512 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.209 6.492 -15.057 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.912 6.609 -12.976 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.525 6.363 -14.599 1.00 0.00 H new ATOM 291 N HIS A 20 -5.220 3.251 -12.090 1.00 0.00 N ATOM 292 CA HIS A 20 -4.505 2.522 -11.040 1.00 0.00 C ATOM 293 C HIS A 20 -3.704 3.495 -10.173 1.00 0.00 C ATOM 294 O HIS A 20 -3.938 4.703 -10.208 1.00 0.00 O ATOM 295 CB HIS A 20 -3.580 1.460 -11.642 1.00 0.00 C ATOM 296 CG HIS A 20 -2.414 2.043 -12.354 1.00 0.00 C ATOM 297 ND1 HIS A 20 -1.385 2.664 -11.696 1.00 0.00 N ATOM 298 CD2 HIS A 20 -2.118 2.115 -13.672 1.00 0.00 C ATOM 299 CE1 HIS A 20 -0.507 3.099 -12.567 1.00 0.00 C ATOM 300 NE2 HIS A 20 -0.923 2.778 -13.778 1.00 0.00 N ATOM 0 H HIS A 20 -5.256 4.260 -11.942 1.00 0.00 H new ATOM 0 HA HIS A 20 -5.241 2.015 -10.415 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.223 0.804 -10.848 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -4.149 0.841 -12.335 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.711 1.724 -14.486 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.404 3.631 -12.333 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.436 2.989 -14.649 1.00 0.00 H new ATOM 308 N VAL A 21 -2.757 2.969 -9.398 1.00 0.00 N ATOM 309 CA VAL A 21 -1.934 3.817 -8.535 1.00 0.00 C ATOM 310 C VAL A 21 -0.478 3.383 -8.526 1.00 0.00 C ATOM 311 O VAL A 21 -0.162 2.214 -8.745 1.00 0.00 O ATOM 312 CB VAL A 21 -2.421 3.808 -7.077 1.00 0.00 C ATOM 313 CG1 VAL A 21 -3.664 4.669 -6.911 1.00 0.00 C ATOM 314 CG2 VAL A 21 -2.680 2.383 -6.615 1.00 0.00 C ATOM 0 H VAL A 21 -2.542 1.973 -9.349 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.025 4.819 -8.954 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.637 4.235 -6.451 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.987 4.645 -5.870 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.436 5.696 -7.196 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.461 4.284 -7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.024 2.393 -5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.443 1.929 -7.247 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.759 1.805 -6.685 1.00 0.00 H new ATOM 324 N GLU A 22 0.404 4.335 -8.241 1.00 0.00 N ATOM 325 CA GLU A 22 1.825 4.066 -8.162 1.00 0.00 C ATOM 326 C GLU A 22 2.196 3.696 -6.732 1.00 0.00 C ATOM 327 O GLU A 22 1.576 4.176 -5.784 1.00 0.00 O ATOM 328 CB GLU A 22 2.617 5.296 -8.595 1.00 0.00 C ATOM 329 CG GLU A 22 2.915 5.349 -10.082 1.00 0.00 C ATOM 330 CD GLU A 22 4.131 6.197 -10.407 1.00 0.00 C ATOM 331 OE1 GLU A 22 4.784 6.689 -9.462 1.00 0.00 O ATOM 332 OE2 GLU A 22 4.429 6.369 -11.607 1.00 0.00 O ATOM 0 H GLU A 22 0.151 5.306 -8.060 1.00 0.00 H new ATOM 0 HA GLU A 22 2.067 3.237 -8.827 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.061 6.190 -8.315 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.558 5.321 -8.046 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.074 4.336 -10.453 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.048 5.748 -10.608 1.00 0.00 H new ATOM 339 N LEU A 23 3.197 2.834 -6.578 1.00 0.00 N ATOM 340 CA LEU A 23 3.637 2.399 -5.253 1.00 0.00 C ATOM 341 C LEU A 23 3.669 3.559 -4.261 1.00 0.00 C ATOM 342 O LEU A 23 3.120 3.465 -3.164 1.00 0.00 O ATOM 343 CB LEU A 23 5.018 1.751 -5.341 1.00 0.00 C ATOM 344 CG LEU A 23 4.999 0.237 -5.538 1.00 0.00 C ATOM 345 CD1 LEU A 23 5.480 -0.130 -6.934 1.00 0.00 C ATOM 346 CD2 LEU A 23 5.847 -0.450 -4.477 1.00 0.00 C ATOM 0 H LEU A 23 3.719 2.423 -7.352 1.00 0.00 H new ATOM 0 HA LEU A 23 2.916 1.667 -4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.566 2.205 -6.167 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.570 1.979 -4.429 1.00 0.00 H new ATOM 0 HG LEU A 23 3.971 -0.110 -5.432 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.459 -1.213 -7.053 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.827 0.330 -7.676 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.499 0.230 -7.074 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.822 -1.528 -4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.876 -0.097 -4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.452 -0.217 -3.488 1.00 0.00 H new ATOM 358 N CYS A 24 4.311 4.653 -4.654 1.00 0.00 N ATOM 359 CA CYS A 24 4.405 5.827 -3.797 1.00 0.00 C ATOM 360 C CYS A 24 3.030 6.449 -3.574 1.00 0.00 C ATOM 361 O CYS A 24 2.754 6.996 -2.507 1.00 0.00 O ATOM 362 CB CYS A 24 5.359 6.857 -4.404 1.00 0.00 C ATOM 363 SG CYS A 24 5.822 8.189 -3.273 1.00 0.00 S ATOM 0 H CYS A 24 4.773 4.751 -5.558 1.00 0.00 H new ATOM 0 HA CYS A 24 4.799 5.510 -2.831 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.263 6.347 -4.738 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.893 7.291 -5.289 1.00 0.00 H new ATOM 0 HG CYS A 24 6.797 7.791 -2.510 1.00 0.00 H new ATOM 369 N ASP A 25 2.164 6.355 -4.581 1.00 0.00 N ATOM 370 CA ASP A 25 0.818 6.906 -4.475 1.00 0.00 C ATOM 371 C ASP A 25 0.031 6.174 -3.400 1.00 0.00 C ATOM 372 O ASP A 25 -0.424 6.779 -2.432 1.00 0.00 O ATOM 373 CB ASP A 25 0.080 6.809 -5.814 1.00 0.00 C ATOM 374 CG ASP A 25 0.792 7.568 -6.915 1.00 0.00 C ATOM 375 OD1 ASP A 25 2.015 7.786 -6.791 1.00 0.00 O ATOM 376 OD2 ASP A 25 0.127 7.948 -7.903 1.00 0.00 O ATOM 0 H ASP A 25 2.370 5.905 -5.473 1.00 0.00 H new ATOM 0 HA ASP A 25 0.905 7.958 -4.202 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.015 5.761 -6.100 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.931 7.201 -5.699 1.00 0.00 H new ATOM 381 N LEU A 26 -0.122 4.868 -3.573 1.00 0.00 N ATOM 382 CA LEU A 26 -0.855 4.058 -2.610 1.00 0.00 C ATOM 383 C LEU A 26 -0.332 4.287 -1.198 1.00 0.00 C ATOM 384 O LEU A 26 -1.106 4.374 -0.252 1.00 0.00 O ATOM 385 CB LEU A 26 -0.761 2.577 -2.975 1.00 0.00 C ATOM 386 CG LEU A 26 -1.875 1.693 -2.408 1.00 0.00 C ATOM 387 CD1 LEU A 26 -3.246 2.234 -2.786 1.00 0.00 C ATOM 388 CD2 LEU A 26 -1.714 0.266 -2.903 1.00 0.00 C ATOM 0 H LEU A 26 0.250 4.349 -4.368 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.902 4.361 -2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.765 2.486 -4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.198 2.194 -2.626 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.797 1.700 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.019 1.588 -2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.362 3.242 -2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.340 2.261 -3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.512 -0.353 -2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.765 0.251 -3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.749 -0.125 -2.580 1.00 0.00 H new ATOM 400 N LEU A 27 0.984 4.393 -1.066 1.00 0.00 N ATOM 401 CA LEU A 27 1.603 4.623 0.235 1.00 0.00 C ATOM 402 C LEU A 27 1.239 6.003 0.771 1.00 0.00 C ATOM 403 O LEU A 27 0.523 6.131 1.763 1.00 0.00 O ATOM 404 CB LEU A 27 3.125 4.504 0.127 1.00 0.00 C ATOM 405 CG LEU A 27 3.655 3.098 -0.148 1.00 0.00 C ATOM 406 CD1 LEU A 27 4.977 3.170 -0.894 1.00 0.00 C ATOM 407 CD2 LEU A 27 3.811 2.325 1.152 1.00 0.00 C ATOM 0 H LEU A 27 1.643 4.324 -1.841 1.00 0.00 H new ATOM 0 HA LEU A 27 1.229 3.867 0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.468 5.165 -0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.567 4.865 1.055 1.00 0.00 H new ATOM 0 HG LEU A 27 2.936 2.570 -0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.343 2.161 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.832 3.687 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.705 3.713 -0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.189 1.326 0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.512 2.847 1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.843 2.248 1.648 1.00 0.00 H new ATOM 419 N LYS A 28 1.748 7.033 0.103 1.00 0.00 N ATOM 420 CA LYS A 28 1.499 8.416 0.499 1.00 0.00 C ATOM 421 C LYS A 28 0.010 8.686 0.711 1.00 0.00 C ATOM 422 O LYS A 28 -0.400 9.152 1.773 1.00 0.00 O ATOM 423 CB LYS A 28 2.052 9.369 -0.564 1.00 0.00 C ATOM 424 CG LYS A 28 2.187 10.806 -0.087 1.00 0.00 C ATOM 425 CD LYS A 28 2.454 11.757 -1.246 1.00 0.00 C ATOM 426 CE LYS A 28 3.883 12.280 -1.220 1.00 0.00 C ATOM 427 NZ LYS A 28 3.954 13.736 -1.529 1.00 0.00 N ATOM 0 H LYS A 28 2.340 6.935 -0.722 1.00 0.00 H new ATOM 0 HA LYS A 28 2.007 8.586 1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.029 9.010 -0.888 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.398 9.345 -1.436 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.275 11.106 0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.999 10.875 0.636 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.271 11.243 -2.190 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.758 12.594 -1.199 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.317 12.097 -0.237 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.484 11.727 -1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.945 14.049 -1.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.564 13.909 -2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.403 14.267 -0.825 1.00 0.00 H new ATOM 441 N LEU A 29 -0.788 8.411 -0.316 1.00 0.00 N ATOM 442 CA LEU A 29 -2.231 8.643 -0.255 1.00 0.00 C ATOM 443 C LEU A 29 -2.873 7.961 0.953 1.00 0.00 C ATOM 444 O LEU A 29 -3.760 8.526 1.591 1.00 0.00 O ATOM 445 CB LEU A 29 -2.900 8.164 -1.547 1.00 0.00 C ATOM 446 CG LEU A 29 -3.901 9.143 -2.161 1.00 0.00 C ATOM 447 CD1 LEU A 29 -4.986 9.506 -1.156 1.00 0.00 C ATOM 448 CD2 LEU A 29 -3.185 10.391 -2.652 1.00 0.00 C ATOM 0 H LEU A 29 -0.461 8.027 -1.203 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.383 9.717 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.124 7.953 -2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.412 7.223 -1.345 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.378 8.659 -3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.687 10.204 -1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.517 8.604 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.531 9.971 -0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.910 11.079 -3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.682 10.875 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.449 10.115 -3.407 1.00 0.00 H new ATOM 460 N GLU A 30 -2.434 6.744 1.261 1.00 0.00 N ATOM 461 CA GLU A 30 -2.993 6.005 2.392 1.00 0.00 C ATOM 462 C GLU A 30 -2.393 6.460 3.720 1.00 0.00 C ATOM 463 O GLU A 30 -2.883 6.083 4.784 1.00 0.00 O ATOM 464 CB GLU A 30 -2.771 4.502 2.221 1.00 0.00 C ATOM 465 CG GLU A 30 -3.999 3.753 1.731 1.00 0.00 C ATOM 466 CD GLU A 30 -5.044 3.579 2.815 1.00 0.00 C ATOM 467 OE1 GLU A 30 -5.082 4.415 3.743 1.00 0.00 O ATOM 468 OE2 GLU A 30 -5.824 2.606 2.739 1.00 0.00 O ATOM 0 H GLU A 30 -1.701 6.252 0.751 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.063 6.214 2.410 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.955 4.343 1.517 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.456 4.080 3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.438 4.291 0.891 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.699 2.773 1.360 1.00 0.00 H new ATOM 475 N GLY A 31 -1.343 7.272 3.665 1.00 0.00 N ATOM 476 CA GLY A 31 -0.727 7.754 4.887 1.00 0.00 C ATOM 477 C GLY A 31 0.425 6.885 5.364 1.00 0.00 C ATOM 478 O GLY A 31 0.742 6.873 6.553 1.00 0.00 O ATOM 0 H GLY A 31 -0.910 7.603 2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.365 8.769 4.727 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.483 7.805 5.671 1.00 0.00 H new ATOM 482 N TRP A 32 1.061 6.162 4.445 1.00 0.00 N ATOM 483 CA TRP A 32 2.186 5.303 4.807 1.00 0.00 C ATOM 484 C TRP A 32 3.418 6.151 5.120 1.00 0.00 C ATOM 485 O TRP A 32 3.919 6.139 6.245 1.00 0.00 O ATOM 486 CB TRP A 32 2.501 4.312 3.684 1.00 0.00 C ATOM 487 CG TRP A 32 1.388 3.347 3.399 1.00 0.00 C ATOM 488 CD1 TRP A 32 0.081 3.656 3.151 1.00 0.00 C ATOM 489 CD2 TRP A 32 1.476 1.915 3.331 1.00 0.00 C ATOM 490 NE1 TRP A 32 -0.641 2.511 2.932 1.00 0.00 N ATOM 491 CE2 TRP A 32 0.189 1.435 3.038 1.00 0.00 C ATOM 492 CE3 TRP A 32 2.513 0.988 3.487 1.00 0.00 C ATOM 493 CZ2 TRP A 32 -0.089 0.082 2.899 1.00 0.00 C ATOM 494 CZ3 TRP A 32 2.225 -0.359 3.347 1.00 0.00 C ATOM 495 CH2 TRP A 32 0.936 -0.797 3.057 1.00 0.00 C ATOM 0 H TRP A 32 0.820 6.153 3.454 1.00 0.00 H new ATOM 0 HA TRP A 32 1.909 4.736 5.696 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.729 4.868 2.775 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.397 3.751 3.948 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -0.325 4.657 3.130 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.639 2.471 2.723 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.517 1.317 3.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.088 -0.261 2.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.016 -1.084 3.465 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.747 -1.855 2.956 1.00 0.00 H new ATOM 506 N SER A 33 3.892 6.898 4.125 1.00 0.00 N ATOM 507 CA SER A 33 5.054 7.764 4.301 1.00 0.00 C ATOM 508 C SER A 33 4.616 9.204 4.513 1.00 0.00 C ATOM 509 O SER A 33 3.525 9.595 4.094 1.00 0.00 O ATOM 510 CB SER A 33 5.971 7.694 3.079 1.00 0.00 C ATOM 511 OG SER A 33 7.122 8.503 3.256 1.00 0.00 O ATOM 0 H SER A 33 3.489 6.920 3.188 1.00 0.00 H new ATOM 0 HA SER A 33 5.599 7.417 5.179 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.272 6.661 2.906 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.426 8.020 2.193 1.00 0.00 H new ATOM 0 HG SER A 33 7.874 8.115 2.762 1.00 0.00 H new ATOM 517 N GLU A 34 5.468 9.998 5.152 1.00 0.00 N ATOM 518 CA GLU A 34 5.142 11.393 5.391 1.00 0.00 C ATOM 519 C GLU A 34 5.534 12.240 4.183 1.00 0.00 C ATOM 520 O GLU A 34 4.837 13.189 3.827 1.00 0.00 O ATOM 521 CB GLU A 34 5.863 11.892 6.646 1.00 0.00 C ATOM 522 CG GLU A 34 4.959 12.638 7.611 1.00 0.00 C ATOM 523 CD GLU A 34 5.670 13.022 8.893 1.00 0.00 C ATOM 524 OE1 GLU A 34 6.243 12.125 9.548 1.00 0.00 O ATOM 525 OE2 GLU A 34 5.658 14.221 9.241 1.00 0.00 O ATOM 0 H GLU A 34 6.377 9.702 5.508 1.00 0.00 H new ATOM 0 HA GLU A 34 4.067 11.483 5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.307 11.041 7.162 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.682 12.547 6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.579 13.538 7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.096 12.016 7.850 1.00 0.00 H new ATOM 532 N SER A 35 6.635 11.863 3.536 1.00 0.00 N ATOM 533 CA SER A 35 7.100 12.563 2.343 1.00 0.00 C ATOM 534 C SER A 35 6.847 11.721 1.096 1.00 0.00 C ATOM 535 O SER A 35 6.364 12.219 0.082 1.00 0.00 O ATOM 536 CB SER A 35 8.586 12.905 2.453 1.00 0.00 C ATOM 537 OG SER A 35 9.380 11.944 1.786 1.00 0.00 O ATOM 0 H SER A 35 7.221 11.077 3.819 1.00 0.00 H new ATOM 0 HA SER A 35 6.538 13.494 2.260 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.768 13.891 2.026 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.874 12.954 3.503 1.00 0.00 H new ATOM 0 HG SER A 35 10.304 12.265 1.731 1.00 0.00 H new ATOM 543 N GLY A 36 7.197 10.438 1.183 1.00 0.00 N ATOM 544 CA GLY A 36 7.013 9.534 0.062 1.00 0.00 C ATOM 545 C GLY A 36 8.313 8.902 -0.407 1.00 0.00 C ATOM 546 O GLY A 36 8.309 7.794 -0.945 1.00 0.00 O ATOM 0 H GLY A 36 7.606 10.009 2.013 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.314 8.747 0.347 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.560 10.078 -0.767 1.00 0.00 H new ATOM 550 N ALA A 37 9.427 9.606 -0.213 1.00 0.00 N ATOM 551 CA ALA A 37 10.731 9.100 -0.636 1.00 0.00 C ATOM 552 C ALA A 37 11.802 9.272 0.449 1.00 0.00 C ATOM 553 O ALA A 37 12.964 8.930 0.236 1.00 0.00 O ATOM 554 CB ALA A 37 11.165 9.799 -1.916 1.00 0.00 C ATOM 0 H ALA A 37 9.453 10.523 0.232 1.00 0.00 H new ATOM 0 HA ALA A 37 10.625 8.030 -0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.138 9.418 -2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.433 9.608 -2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.236 10.872 -1.739 1.00 0.00 H new ATOM 560 N GLN A 38 11.410 9.805 1.602 1.00 0.00 N ATOM 561 CA GLN A 38 12.346 10.024 2.704 1.00 0.00 C ATOM 562 C GLN A 38 12.959 8.708 3.174 1.00 0.00 C ATOM 563 O GLN A 38 14.112 8.404 2.869 1.00 0.00 O ATOM 564 CB GLN A 38 11.634 10.719 3.871 1.00 0.00 C ATOM 565 CG GLN A 38 12.465 10.827 5.140 1.00 0.00 C ATOM 566 CD GLN A 38 13.279 12.104 5.190 1.00 0.00 C ATOM 567 OE1 GLN A 38 14.258 12.261 4.460 1.00 0.00 O ATOM 568 NE2 GLN A 38 12.876 13.028 6.056 1.00 0.00 N ATOM 0 H GLN A 38 10.452 10.094 1.799 1.00 0.00 H new ATOM 0 HA GLN A 38 13.151 10.664 2.343 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.341 11.721 3.557 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.717 10.175 4.097 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.806 10.785 6.007 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.135 9.970 5.207 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.059 12.856 6.642 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.384 13.909 6.135 1.00 0.00 H new ATOM 577 N ALA A 39 12.180 7.936 3.922 1.00 0.00 N ATOM 578 CA ALA A 39 12.637 6.654 4.447 1.00 0.00 C ATOM 579 C ALA A 39 12.653 5.571 3.372 1.00 0.00 C ATOM 580 O ALA A 39 12.720 4.383 3.687 1.00 0.00 O ATOM 581 CB ALA A 39 11.752 6.223 5.604 1.00 0.00 C ATOM 0 H ALA A 39 11.223 8.177 4.180 1.00 0.00 H new ATOM 0 HA ALA A 39 13.661 6.786 4.797 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.100 5.265 5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.797 6.971 6.395 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.723 6.123 5.258 1.00 0.00 H new ATOM 587 N LYS A 40 12.575 5.976 2.108 1.00 0.00 N ATOM 588 CA LYS A 40 12.564 5.026 1.008 1.00 0.00 C ATOM 589 C LYS A 40 11.291 4.190 1.054 1.00 0.00 C ATOM 590 O LYS A 40 11.249 3.071 0.543 1.00 0.00 O ATOM 591 CB LYS A 40 13.802 4.123 1.061 1.00 0.00 C ATOM 592 CG LYS A 40 15.112 4.892 0.987 1.00 0.00 C ATOM 593 CD LYS A 40 16.139 4.368 1.980 1.00 0.00 C ATOM 594 CE LYS A 40 17.100 5.463 2.417 1.00 0.00 C ATOM 595 NZ LYS A 40 16.826 5.923 3.808 1.00 0.00 N ATOM 0 H LYS A 40 12.519 6.954 1.824 1.00 0.00 H new ATOM 0 HA LYS A 40 12.587 5.579 0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.781 3.543 1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.760 3.411 0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.516 4.823 -0.023 1.00 0.00 H new ATOM 0 HG3 LYS A 40 14.924 5.948 1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 40 15.628 3.961 2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 40 16.699 3.550 1.528 1.00 0.00 H new ATOM 0 HE2 LYS A 40 18.124 5.094 2.352 1.00 0.00 H new ATOM 0 HE3 LYS A 40 17.022 6.308 1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 17.503 6.669 4.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.858 6.299 3.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.926 5.122 4.464 1.00 0.00 H new ATOM 609 N ILE A 41 10.250 4.749 1.667 1.00 0.00 N ATOM 610 CA ILE A 41 8.968 4.065 1.780 1.00 0.00 C ATOM 611 C ILE A 41 8.485 3.601 0.411 1.00 0.00 C ATOM 612 O ILE A 41 7.749 2.621 0.292 1.00 0.00 O ATOM 613 CB ILE A 41 7.902 4.982 2.415 1.00 0.00 C ATOM 614 CG1 ILE A 41 8.418 5.576 3.729 1.00 0.00 C ATOM 615 CG2 ILE A 41 6.604 4.219 2.649 1.00 0.00 C ATOM 616 CD1 ILE A 41 8.811 4.536 4.755 1.00 0.00 C ATOM 0 H ILE A 41 10.271 5.675 2.093 1.00 0.00 H new ATOM 0 HA ILE A 41 9.114 3.198 2.424 1.00 0.00 H new ATOM 0 HB ILE A 41 7.699 5.799 1.722 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.280 6.208 3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.647 6.219 4.154 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.866 4.885 3.097 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.225 3.845 1.698 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.791 3.380 3.320 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.166 5.032 5.658 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.946 3.918 4.997 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.604 3.907 4.350 1.00 0.00 H new ATOM 628 N ALA A 42 8.923 4.314 -0.616 1.00 0.00 N ATOM 629 CA ALA A 42 8.559 3.991 -1.988 1.00 0.00 C ATOM 630 C ALA A 42 9.265 2.718 -2.455 1.00 0.00 C ATOM 631 O ALA A 42 8.669 1.638 -2.482 1.00 0.00 O ATOM 632 CB ALA A 42 8.896 5.160 -2.901 1.00 0.00 C ATOM 0 H ALA A 42 9.535 5.125 -0.524 1.00 0.00 H new ATOM 0 HA ALA A 42 7.485 3.810 -2.030 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.621 4.912 -3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.343 6.043 -2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.966 5.364 -2.851 1.00 0.00 H new ATOM 638 N ILE A 43 10.543 2.852 -2.808 1.00 0.00 N ATOM 639 CA ILE A 43 11.339 1.712 -3.262 1.00 0.00 C ATOM 640 C ILE A 43 11.205 0.539 -2.299 1.00 0.00 C ATOM 641 O ILE A 43 11.214 -0.623 -2.710 1.00 0.00 O ATOM 642 CB ILE A 43 12.832 2.081 -3.402 1.00 0.00 C ATOM 643 CG1 ILE A 43 13.001 3.353 -4.241 1.00 0.00 C ATOM 644 CG2 ILE A 43 13.606 0.927 -4.021 1.00 0.00 C ATOM 645 CD1 ILE A 43 12.356 3.272 -5.609 1.00 0.00 C ATOM 0 H ILE A 43 11.049 3.737 -2.788 1.00 0.00 H new ATOM 0 HA ILE A 43 10.954 1.426 -4.241 1.00 0.00 H new ATOM 0 HB ILE A 43 13.233 2.274 -2.407 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.574 4.195 -3.697 1.00 0.00 H new ATOM 0 HG13 ILE A 43 14.065 3.559 -4.362 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.657 1.202 -4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 43 13.516 0.046 -3.386 1.00 0.00 H new ATOM 0 HG23 ILE A 43 13.201 0.705 -5.008 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.517 4.208 -6.143 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.800 2.451 -6.173 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.286 3.098 -5.497 1.00 0.00 H new ATOM 657 N ALA A 44 11.074 0.852 -1.015 1.00 0.00 N ATOM 658 CA ALA A 44 10.930 -0.172 0.009 1.00 0.00 C ATOM 659 C ALA A 44 9.645 -0.963 -0.197 1.00 0.00 C ATOM 660 O ALA A 44 9.682 -2.124 -0.598 1.00 0.00 O ATOM 661 CB ALA A 44 10.947 0.457 1.390 1.00 0.00 C ATOM 0 H ALA A 44 11.065 1.808 -0.660 1.00 0.00 H new ATOM 0 HA ALA A 44 11.772 -0.859 -0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 44 10.838 -0.321 2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 44 11.892 0.979 1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.123 1.165 1.477 1.00 0.00 H new ATOM 667 N GLU A 45 8.503 -0.332 0.089 1.00 0.00 N ATOM 668 CA GLU A 45 7.202 -0.985 -0.064 1.00 0.00 C ATOM 669 C GLU A 45 7.222 -1.970 -1.227 1.00 0.00 C ATOM 670 O GLU A 45 6.709 -3.084 -1.122 1.00 0.00 O ATOM 671 CB GLU A 45 6.101 0.049 -0.286 1.00 0.00 C ATOM 672 CG GLU A 45 4.710 -0.561 -0.362 1.00 0.00 C ATOM 673 CD GLU A 45 4.264 -0.824 -1.786 1.00 0.00 C ATOM 674 OE1 GLU A 45 3.689 0.094 -2.407 1.00 0.00 O ATOM 675 OE2 GLU A 45 4.488 -1.949 -2.280 1.00 0.00 O ATOM 0 H GLU A 45 8.454 0.629 0.427 1.00 0.00 H new ATOM 0 HA GLU A 45 6.995 -1.531 0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.127 0.777 0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.303 0.592 -1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.697 -1.497 0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.997 0.108 0.120 1.00 0.00 H new ATOM 682 N GLY A 46 7.851 -1.560 -2.324 1.00 0.00 N ATOM 683 CA GLY A 46 7.957 -2.434 -3.475 1.00 0.00 C ATOM 684 C GLY A 46 8.686 -3.712 -3.116 1.00 0.00 C ATOM 685 O GLY A 46 8.065 -4.760 -2.940 1.00 0.00 O ATOM 0 H GLY A 46 8.286 -0.644 -2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.961 -2.671 -3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.486 -1.922 -4.278 1.00 0.00 H new ATOM 689 N GLN A 47 10.013 -3.618 -3.010 1.00 0.00 N ATOM 690 CA GLN A 47 10.861 -4.766 -2.671 1.00 0.00 C ATOM 691 C GLN A 47 10.323 -5.576 -1.486 1.00 0.00 C ATOM 692 O GLN A 47 10.822 -6.667 -1.209 1.00 0.00 O ATOM 693 CB GLN A 47 12.291 -4.303 -2.372 1.00 0.00 C ATOM 694 CG GLN A 47 12.370 -3.161 -1.372 1.00 0.00 C ATOM 695 CD GLN A 47 13.345 -3.437 -0.244 1.00 0.00 C ATOM 696 OE1 GLN A 47 13.387 -4.540 0.299 1.00 0.00 O ATOM 697 NE2 GLN A 47 14.134 -2.431 0.115 1.00 0.00 N ATOM 0 H GLN A 47 10.529 -2.750 -3.155 1.00 0.00 H new ATOM 0 HA GLN A 47 10.856 -5.423 -3.541 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.864 -5.148 -1.990 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.764 -3.991 -3.303 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.669 -2.250 -1.890 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.380 -2.980 -0.954 1.00 0.00 H new ATOM 0 HE21 GLN A 47 14.065 -1.533 -0.363 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.809 -2.557 0.869 1.00 0.00 H new ATOM 706 N VAL A 48 9.317 -5.058 -0.782 1.00 0.00 N ATOM 707 CA VAL A 48 8.756 -5.776 0.352 1.00 0.00 C ATOM 708 C VAL A 48 7.881 -6.942 -0.118 1.00 0.00 C ATOM 709 O VAL A 48 8.395 -8.035 -0.344 1.00 0.00 O ATOM 710 CB VAL A 48 7.947 -4.851 1.282 1.00 0.00 C ATOM 711 CG1 VAL A 48 7.394 -5.641 2.464 1.00 0.00 C ATOM 712 CG2 VAL A 48 8.809 -3.692 1.757 1.00 0.00 C ATOM 0 H VAL A 48 8.882 -4.156 -0.976 1.00 0.00 H new ATOM 0 HA VAL A 48 9.597 -6.169 0.923 1.00 0.00 H new ATOM 0 HB VAL A 48 7.106 -4.440 0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.825 -4.975 3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.743 -6.435 2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.219 -6.078 3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.223 -3.048 2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.670 -4.079 2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.153 -3.118 0.897 1.00 0.00 H new ATOM 722 N LYS A 49 6.570 -6.725 -0.270 1.00 0.00 N ATOM 723 CA LYS A 49 5.685 -7.799 -0.717 1.00 0.00 C ATOM 724 C LYS A 49 4.302 -7.275 -1.101 1.00 0.00 C ATOM 725 O LYS A 49 3.632 -6.621 -0.302 1.00 0.00 O ATOM 726 CB LYS A 49 5.542 -8.854 0.386 1.00 0.00 C ATOM 727 CG LYS A 49 6.355 -10.112 0.135 1.00 0.00 C ATOM 728 CD LYS A 49 5.728 -10.972 -0.949 1.00 0.00 C ATOM 729 CE LYS A 49 4.424 -11.598 -0.482 1.00 0.00 C ATOM 730 NZ LYS A 49 4.571 -12.288 0.831 1.00 0.00 N ATOM 0 H LYS A 49 6.108 -5.833 -0.093 1.00 0.00 H new ATOM 0 HA LYS A 49 6.135 -8.245 -1.604 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.849 -8.417 1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.491 -9.125 0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.369 -9.839 -0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.432 -10.687 1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.544 -10.365 -1.835 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.426 -11.757 -1.240 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.660 -10.825 -0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.077 -12.312 -1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.902 -13.082 0.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.542 -12.647 0.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.372 -11.617 1.600 1.00 0.00 H new ATOM 744 N VAL A 50 3.867 -7.590 -2.321 1.00 0.00 N ATOM 745 CA VAL A 50 2.552 -7.174 -2.795 1.00 0.00 C ATOM 746 C VAL A 50 1.733 -8.399 -3.195 1.00 0.00 C ATOM 747 O VAL A 50 2.290 -9.465 -3.453 1.00 0.00 O ATOM 748 CB VAL A 50 2.649 -6.205 -3.993 1.00 0.00 C ATOM 749 CG1 VAL A 50 1.302 -5.549 -4.266 1.00 0.00 C ATOM 750 CG2 VAL A 50 3.720 -5.148 -3.746 1.00 0.00 C ATOM 0 H VAL A 50 4.407 -8.131 -2.996 1.00 0.00 H new ATOM 0 HA VAL A 50 2.061 -6.646 -1.977 1.00 0.00 H new ATOM 0 HB VAL A 50 2.933 -6.781 -4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.393 -4.870 -5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.563 -6.317 -4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.985 -4.990 -3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.772 -4.476 -4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.469 -4.578 -2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.686 -5.634 -3.607 1.00 0.00 H new ATOM 760 N ASP A 51 0.410 -8.256 -3.214 1.00 0.00 N ATOM 761 CA ASP A 51 -0.479 -9.370 -3.547 1.00 0.00 C ATOM 762 C ASP A 51 0.028 -10.156 -4.755 1.00 0.00 C ATOM 763 O ASP A 51 -0.131 -9.733 -5.900 1.00 0.00 O ATOM 764 CB ASP A 51 -1.890 -8.850 -3.826 1.00 0.00 C ATOM 765 CG ASP A 51 -1.899 -7.704 -4.818 1.00 0.00 C ATOM 766 OD1 ASP A 51 -1.607 -6.560 -4.408 1.00 0.00 O ATOM 767 OD2 ASP A 51 -2.201 -7.947 -6.005 1.00 0.00 O ATOM 0 H ASP A 51 -0.071 -7.382 -3.003 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.498 -10.044 -2.691 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.505 -9.664 -4.210 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.344 -8.521 -2.891 1.00 0.00 H new ATOM 772 N GLY A 52 0.641 -11.307 -4.479 1.00 0.00 N ATOM 773 CA GLY A 52 1.170 -12.146 -5.540 1.00 0.00 C ATOM 774 C GLY A 52 2.172 -11.416 -6.411 1.00 0.00 C ATOM 775 O GLY A 52 2.390 -11.787 -7.563 1.00 0.00 O ATOM 0 H GLY A 52 0.780 -11.672 -3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.645 -13.024 -5.102 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.348 -12.505 -6.160 1.00 0.00 H new ATOM 779 N ALA A 53 2.776 -10.367 -5.861 1.00 0.00 N ATOM 780 CA ALA A 53 3.751 -9.580 -6.602 1.00 0.00 C ATOM 781 C ALA A 53 4.854 -9.044 -5.694 1.00 0.00 C ATOM 782 O ALA A 53 4.799 -7.899 -5.240 1.00 0.00 O ATOM 783 CB ALA A 53 3.053 -8.437 -7.321 1.00 0.00 C ATOM 0 H ALA A 53 2.607 -10.045 -4.908 1.00 0.00 H new ATOM 0 HA ALA A 53 4.223 -10.234 -7.335 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.788 -7.852 -7.874 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.315 -8.840 -8.014 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.555 -7.798 -6.591 1.00 0.00 H new ATOM 789 N VAL A 54 5.852 -9.876 -5.419 1.00 0.00 N ATOM 790 CA VAL A 54 6.962 -9.477 -4.563 1.00 0.00 C ATOM 791 C VAL A 54 8.072 -8.816 -5.384 1.00 0.00 C ATOM 792 O VAL A 54 9.200 -9.310 -5.443 1.00 0.00 O ATOM 793 CB VAL A 54 7.526 -10.691 -3.795 1.00 0.00 C ATOM 794 CG1 VAL A 54 8.060 -11.743 -4.758 1.00 0.00 C ATOM 795 CG2 VAL A 54 8.600 -10.256 -2.808 1.00 0.00 C ATOM 0 H VAL A 54 5.915 -10.829 -5.776 1.00 0.00 H new ATOM 0 HA VAL A 54 6.583 -8.753 -3.842 1.00 0.00 H new ATOM 0 HB VAL A 54 6.712 -11.141 -3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.452 -12.588 -4.193 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.254 -12.084 -5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.857 -11.311 -5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.983 -11.129 -2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.415 -9.772 -3.347 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.173 -9.555 -2.091 1.00 0.00 H new ATOM 805 N GLU A 55 7.739 -7.699 -6.027 1.00 0.00 N ATOM 806 CA GLU A 55 8.700 -6.971 -6.856 1.00 0.00 C ATOM 807 C GLU A 55 9.257 -5.754 -6.118 1.00 0.00 C ATOM 808 O GLU A 55 9.131 -5.655 -4.901 1.00 0.00 O ATOM 809 CB GLU A 55 8.040 -6.550 -8.172 1.00 0.00 C ATOM 810 CG GLU A 55 7.883 -7.699 -9.156 1.00 0.00 C ATOM 811 CD GLU A 55 6.479 -7.807 -9.721 1.00 0.00 C ATOM 812 OE1 GLU A 55 5.633 -6.951 -9.388 1.00 0.00 O ATOM 813 OE2 GLU A 55 6.226 -8.751 -10.498 1.00 0.00 O ATOM 0 H GLU A 55 6.811 -7.277 -5.991 1.00 0.00 H new ATOM 0 HA GLU A 55 9.537 -7.634 -7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.059 -6.125 -7.960 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.635 -5.763 -8.634 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.590 -7.568 -9.976 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.142 -8.634 -8.659 1.00 0.00 H new ATOM 820 N THR A 56 9.885 -4.837 -6.856 1.00 0.00 N ATOM 821 CA THR A 56 10.465 -3.641 -6.248 1.00 0.00 C ATOM 822 C THR A 56 10.532 -2.474 -7.229 1.00 0.00 C ATOM 823 O THR A 56 11.550 -1.785 -7.313 1.00 0.00 O ATOM 824 CB THR A 56 11.869 -3.944 -5.722 1.00 0.00 C ATOM 825 OG1 THR A 56 12.440 -2.795 -5.118 1.00 0.00 O ATOM 826 CG2 THR A 56 12.820 -4.413 -6.803 1.00 0.00 C ATOM 0 H THR A 56 10.004 -4.899 -7.867 1.00 0.00 H new ATOM 0 HA THR A 56 9.814 -3.351 -5.424 1.00 0.00 H new ATOM 0 HB THR A 56 11.739 -4.747 -4.996 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.447 -2.056 -5.762 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.799 -4.611 -6.366 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.434 -5.326 -7.257 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.913 -3.640 -7.566 1.00 0.00 H new ATOM 834 N ARG A 57 9.454 -2.244 -7.965 1.00 0.00 N ATOM 835 CA ARG A 57 9.418 -1.151 -8.929 1.00 0.00 C ATOM 836 C ARG A 57 8.955 0.146 -8.272 1.00 0.00 C ATOM 837 O ARG A 57 8.572 0.164 -7.103 1.00 0.00 O ATOM 838 CB ARG A 57 8.492 -1.500 -10.091 1.00 0.00 C ATOM 839 CG ARG A 57 9.118 -2.439 -11.107 1.00 0.00 C ATOM 840 CD ARG A 57 8.295 -2.511 -12.382 1.00 0.00 C ATOM 841 NE ARG A 57 8.978 -3.270 -13.427 1.00 0.00 N ATOM 842 CZ ARG A 57 8.376 -4.136 -14.241 1.00 0.00 C ATOM 843 NH1 ARG A 57 7.069 -4.355 -14.151 1.00 0.00 N ATOM 844 NH2 ARG A 57 9.087 -4.784 -15.156 1.00 0.00 N ATOM 0 H ARG A 57 8.597 -2.795 -7.915 1.00 0.00 H new ATOM 0 HA ARG A 57 10.430 -1.004 -9.307 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.585 -1.958 -9.697 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.193 -0.581 -10.595 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.127 -2.101 -11.343 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.209 -3.436 -10.675 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.332 -2.974 -12.167 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.091 -1.502 -12.740 1.00 0.00 H new ATOM 0 HE ARG A 57 9.982 -3.128 -13.541 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.515 -3.858 -13.453 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.619 -5.020 -14.780 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.090 -4.618 -15.234 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.630 -5.448 -15.781 1.00 0.00 H new ATOM 858 N LYS A 58 8.987 1.228 -9.043 1.00 0.00 N ATOM 859 CA LYS A 58 8.562 2.535 -8.556 1.00 0.00 C ATOM 860 C LYS A 58 7.053 2.687 -8.713 1.00 0.00 C ATOM 861 O LYS A 58 6.380 3.250 -7.852 1.00 0.00 O ATOM 862 CB LYS A 58 9.277 3.651 -9.319 1.00 0.00 C ATOM 863 CG LYS A 58 10.787 3.482 -9.379 1.00 0.00 C ATOM 864 CD LYS A 58 11.328 3.753 -10.776 1.00 0.00 C ATOM 865 CE LYS A 58 11.228 2.525 -11.669 1.00 0.00 C ATOM 866 NZ LYS A 58 9.874 2.381 -12.275 1.00 0.00 N ATOM 0 H LYS A 58 9.305 1.225 -10.012 1.00 0.00 H new ATOM 0 HA LYS A 58 8.822 2.611 -7.500 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.885 3.693 -10.335 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.046 4.606 -8.848 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.258 4.161 -8.668 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.052 2.469 -9.076 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.774 4.576 -11.227 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.369 4.069 -10.708 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.974 2.592 -12.461 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.461 1.634 -11.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.964 2.003 -13.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.303 1.729 -11.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.409 3.310 -12.310 1.00 0.00 H new ATOM 880 N ARG A 59 6.531 2.175 -9.824 1.00 0.00 N ATOM 881 CA ARG A 59 5.102 2.241 -10.103 1.00 0.00 C ATOM 882 C ARG A 59 4.518 0.847 -10.264 1.00 0.00 C ATOM 883 O ARG A 59 5.086 0.006 -10.960 1.00 0.00 O ATOM 884 CB ARG A 59 4.838 3.055 -11.370 1.00 0.00 C ATOM 885 CG ARG A 59 5.629 2.585 -12.580 1.00 0.00 C ATOM 886 CD ARG A 59 5.503 3.558 -13.743 1.00 0.00 C ATOM 887 NE ARG A 59 6.808 4.029 -14.207 1.00 0.00 N ATOM 888 CZ ARG A 59 7.560 4.911 -13.549 1.00 0.00 C ATOM 889 NH1 ARG A 59 7.129 5.450 -12.416 1.00 0.00 N ATOM 890 NH2 ARG A 59 8.743 5.263 -14.032 1.00 0.00 N ATOM 0 H ARG A 59 7.079 1.709 -10.547 1.00 0.00 H new ATOM 0 HA ARG A 59 4.620 2.731 -9.257 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.774 3.010 -11.604 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.078 4.100 -11.175 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.679 2.475 -12.309 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.274 1.601 -12.888 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.979 3.073 -14.566 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.897 4.411 -13.438 1.00 0.00 H new ATOM 0 HE ARG A 59 7.164 3.660 -15.088 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.216 5.190 -12.042 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.711 6.124 -11.918 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.077 4.859 -14.907 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.319 5.938 -13.529 1.00 0.00 H new ATOM 904 N CYS A 60 3.380 0.603 -9.626 1.00 0.00 N ATOM 905 CA CYS A 60 2.734 -0.698 -9.721 1.00 0.00 C ATOM 906 C CYS A 60 1.341 -0.565 -10.315 1.00 0.00 C ATOM 907 O CYS A 60 0.453 0.040 -9.714 1.00 0.00 O ATOM 908 CB CYS A 60 2.656 -1.358 -8.344 1.00 0.00 C ATOM 909 SG CYS A 60 3.414 -2.998 -8.273 1.00 0.00 S ATOM 0 H CYS A 60 2.890 1.282 -9.043 1.00 0.00 H new ATOM 0 HA CYS A 60 3.333 -1.327 -10.379 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.143 -0.712 -7.614 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.610 -1.439 -8.050 1.00 0.00 H new ATOM 0 HG CYS A 60 3.302 -3.476 -7.069 1.00 0.00 H new ATOM 915 N LYS A 61 1.151 -1.150 -11.490 1.00 0.00 N ATOM 916 CA LYS A 61 -0.142 -1.113 -12.153 1.00 0.00 C ATOM 917 C LYS A 61 -1.093 -2.061 -11.441 1.00 0.00 C ATOM 918 O LYS A 61 -1.160 -3.246 -11.767 1.00 0.00 O ATOM 919 CB LYS A 61 -0.004 -1.508 -13.626 1.00 0.00 C ATOM 920 CG LYS A 61 0.231 -0.329 -14.557 1.00 0.00 C ATOM 921 CD LYS A 61 1.572 0.336 -14.294 1.00 0.00 C ATOM 922 CE LYS A 61 2.283 0.693 -15.592 1.00 0.00 C ATOM 923 NZ LYS A 61 3.492 -0.149 -15.815 1.00 0.00 N ATOM 0 H LYS A 61 1.875 -1.654 -12.001 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.538 -0.098 -12.111 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.823 -2.211 -13.728 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.907 -2.032 -13.939 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.190 -0.669 -15.592 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.568 0.401 -14.429 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.422 1.238 -13.701 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.201 -0.332 -13.705 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.595 0.569 -16.428 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.572 1.744 -15.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.947 0.126 -16.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.160 -0.012 -15.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.214 -1.150 -15.862 1.00 0.00 H new ATOM 937 N ILE A 62 -1.805 -1.549 -10.443 1.00 0.00 N ATOM 938 CA ILE A 62 -2.716 -2.378 -9.669 1.00 0.00 C ATOM 939 C ILE A 62 -4.077 -1.718 -9.484 1.00 0.00 C ATOM 940 O ILE A 62 -4.174 -0.520 -9.215 1.00 0.00 O ATOM 941 CB ILE A 62 -2.133 -2.701 -8.278 1.00 0.00 C ATOM 942 CG1 ILE A 62 -0.625 -2.965 -8.366 1.00 0.00 C ATOM 943 CG2 ILE A 62 -2.853 -3.893 -7.672 1.00 0.00 C ATOM 944 CD1 ILE A 62 -0.271 -4.218 -9.136 1.00 0.00 C ATOM 0 H ILE A 62 -1.768 -0.571 -10.154 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.845 -3.298 -10.239 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.285 -1.837 -7.631 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.142 -2.110 -8.839 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.219 -3.042 -7.357 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.433 -4.111 -6.690 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.914 -3.664 -7.570 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.730 -4.760 -8.320 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.812 -4.339 -9.156 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.724 -5.083 -8.651 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.646 -4.136 -10.156 1.00 0.00 H new ATOM 956 N VAL A 63 -5.123 -2.526 -9.619 1.00 0.00 N ATOM 957 CA VAL A 63 -6.496 -2.062 -9.462 1.00 0.00 C ATOM 958 C VAL A 63 -7.358 -3.167 -8.853 1.00 0.00 C ATOM 959 O VAL A 63 -6.892 -4.291 -8.665 1.00 0.00 O ATOM 960 CB VAL A 63 -7.115 -1.649 -10.812 1.00 0.00 C ATOM 961 CG1 VAL A 63 -6.577 -0.301 -11.268 1.00 0.00 C ATOM 962 CG2 VAL A 63 -6.861 -2.719 -11.866 1.00 0.00 C ATOM 0 H VAL A 63 -5.043 -3.519 -9.840 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.469 -1.193 -8.805 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.192 -1.551 -10.677 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.029 -0.033 -12.223 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.821 0.458 -10.525 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.495 -0.361 -11.384 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.305 -2.410 -12.812 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.787 -2.854 -11.996 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.309 -3.660 -11.545 1.00 0.00 H new ATOM 972 N ALA A 64 -8.620 -2.853 -8.561 1.00 0.00 N ATOM 973 CA ALA A 64 -9.546 -3.835 -7.992 1.00 0.00 C ATOM 974 C ALA A 64 -9.281 -4.075 -6.502 1.00 0.00 C ATOM 975 O ALA A 64 -8.948 -3.145 -5.766 1.00 0.00 O ATOM 976 CB ALA A 64 -9.475 -5.142 -8.778 1.00 0.00 C ATOM 0 H ALA A 64 -9.025 -1.929 -8.708 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.555 -3.430 -8.074 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.168 -5.864 -8.346 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.746 -4.957 -9.817 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.461 -5.539 -8.732 1.00 0.00 H new ATOM 982 N GLY A 65 -9.439 -5.326 -6.061 1.00 0.00 N ATOM 983 CA GLY A 65 -9.222 -5.667 -4.669 1.00 0.00 C ATOM 984 C GLY A 65 -7.865 -6.294 -4.441 1.00 0.00 C ATOM 985 O GLY A 65 -7.736 -7.518 -4.417 1.00 0.00 O ATOM 0 H GLY A 65 -9.715 -6.110 -6.652 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.313 -4.769 -4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.999 -6.357 -4.340 1.00 0.00 H new ATOM 989 N GLN A 66 -6.849 -5.457 -4.295 1.00 0.00 N ATOM 990 CA GLN A 66 -5.485 -5.942 -4.093 1.00 0.00 C ATOM 991 C GLN A 66 -4.881 -5.409 -2.795 1.00 0.00 C ATOM 992 O GLN A 66 -5.354 -4.419 -2.238 1.00 0.00 O ATOM 993 CB GLN A 66 -4.615 -5.551 -5.286 1.00 0.00 C ATOM 994 CG GLN A 66 -5.247 -5.891 -6.627 1.00 0.00 C ATOM 995 CD GLN A 66 -4.780 -7.226 -7.172 1.00 0.00 C ATOM 996 OE1 GLN A 66 -3.996 -7.187 -8.244 1.00 0.00 O flip ATOM 997 NE2 GLN A 66 -5.121 -8.282 -6.638 1.00 0.00 N flip ATOM 0 H GLN A 66 -6.939 -4.441 -4.312 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.522 -7.028 -4.012 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.416 -4.480 -5.247 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.653 -6.057 -5.207 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.332 -5.906 -6.519 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.009 -5.107 -7.345 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.724 -8.266 -5.816 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.800 -9.173 -7.018 1.00 0.00 H new ATOM 1006 N THR A 67 -3.846 -6.095 -2.307 1.00 0.00 N ATOM 1007 CA THR A 67 -3.191 -5.716 -1.058 1.00 0.00 C ATOM 1008 C THR A 67 -1.708 -5.395 -1.250 1.00 0.00 C ATOM 1009 O THR A 67 -1.019 -6.029 -2.047 1.00 0.00 O ATOM 1010 CB THR A 67 -3.341 -6.846 -0.037 1.00 0.00 C ATOM 1011 OG1 THR A 67 -4.669 -7.335 -0.022 1.00 0.00 O ATOM 1012 CG2 THR A 67 -2.985 -6.434 1.375 1.00 0.00 C ATOM 0 H THR A 67 -3.445 -6.916 -2.760 1.00 0.00 H new ATOM 0 HA THR A 67 -3.678 -4.810 -0.697 1.00 0.00 H new ATOM 0 HB THR A 67 -2.640 -7.617 -0.357 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.744 -8.058 0.636 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.114 -7.284 2.045 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.947 -6.102 1.406 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.637 -5.620 1.692 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.229 -4.414 -0.484 1.00 0.00 N ATOM 1021 CA VAL A 68 0.171 -4.000 -0.523 1.00 0.00 C ATOM 1022 C VAL A 68 0.806 -4.218 0.854 1.00 0.00 C ATOM 1023 O VAL A 68 0.147 -4.031 1.877 1.00 0.00 O ATOM 1024 CB VAL A 68 0.305 -2.514 -0.957 1.00 0.00 C ATOM 1025 CG1 VAL A 68 1.168 -1.714 0.005 1.00 0.00 C ATOM 1026 CG2 VAL A 68 0.866 -2.422 -2.364 1.00 0.00 C ATOM 0 H VAL A 68 -1.799 -3.887 0.178 1.00 0.00 H new ATOM 0 HA VAL A 68 0.695 -4.607 -1.262 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.695 -2.080 -0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.234 -0.681 -0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.723 -1.738 1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.167 -2.148 0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.954 -1.375 -2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.850 -2.890 -2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.198 -2.935 -3.056 1.00 0.00 H new ATOM 1036 N SER A 69 2.073 -4.630 0.886 1.00 0.00 N ATOM 1037 CA SER A 69 2.744 -4.881 2.161 1.00 0.00 C ATOM 1038 C SER A 69 4.145 -4.268 2.213 1.00 0.00 C ATOM 1039 O SER A 69 4.942 -4.425 1.284 1.00 0.00 O ATOM 1040 CB SER A 69 2.828 -6.388 2.418 1.00 0.00 C ATOM 1041 OG SER A 69 1.964 -7.105 1.552 1.00 0.00 O ATOM 0 H SER A 69 2.647 -4.795 0.059 1.00 0.00 H new ATOM 0 HA SER A 69 2.150 -4.402 2.939 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.854 -6.727 2.275 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.564 -6.598 3.455 1.00 0.00 H new ATOM 0 HG SER A 69 2.373 -7.171 0.664 1.00 0.00 H new ATOM 1047 N PHE A 70 4.436 -3.586 3.323 1.00 0.00 N ATOM 1048 CA PHE A 70 5.739 -2.954 3.536 1.00 0.00 C ATOM 1049 C PHE A 70 6.122 -2.996 5.015 1.00 0.00 C ATOM 1050 O PHE A 70 5.391 -2.489 5.862 1.00 0.00 O ATOM 1051 CB PHE A 70 5.715 -1.501 3.053 1.00 0.00 C ATOM 1052 CG PHE A 70 6.968 -0.721 3.350 1.00 0.00 C ATOM 1053 CD1 PHE A 70 8.158 -1.358 3.663 1.00 0.00 C ATOM 1054 CD2 PHE A 70 6.942 0.659 3.322 1.00 0.00 C ATOM 1055 CE1 PHE A 70 9.298 -0.629 3.940 1.00 0.00 C ATOM 1056 CE2 PHE A 70 8.074 1.391 3.597 1.00 0.00 C ATOM 1057 CZ PHE A 70 9.256 0.748 3.908 1.00 0.00 C ATOM 0 H PHE A 70 3.780 -3.457 4.094 1.00 0.00 H new ATOM 0 HA PHE A 70 6.481 -3.509 2.962 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.544 -1.493 1.977 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.868 -0.993 3.514 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.195 -2.437 3.691 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.022 1.170 3.081 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.220 -1.137 4.181 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.038 2.470 3.570 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.144 1.322 4.125 1.00 0.00 H new ATOM 1067 N ALA A 71 7.273 -3.597 5.314 1.00 0.00 N ATOM 1068 CA ALA A 71 7.760 -3.703 6.684 1.00 0.00 C ATOM 1069 C ALA A 71 6.677 -4.235 7.619 1.00 0.00 C ATOM 1070 O ALA A 71 6.603 -5.436 7.876 1.00 0.00 O ATOM 1071 CB ALA A 71 8.277 -2.352 7.164 1.00 0.00 C ATOM 0 H ALA A 71 7.888 -4.020 4.618 1.00 0.00 H new ATOM 0 HA ALA A 71 8.584 -4.417 6.698 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.638 -2.444 8.188 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.093 -2.025 6.520 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.470 -1.620 7.128 1.00 0.00 H new ATOM 1077 N GLY A 72 5.837 -3.337 8.123 1.00 0.00 N ATOM 1078 CA GLY A 72 4.770 -3.741 9.017 1.00 0.00 C ATOM 1079 C GLY A 72 3.415 -3.208 8.601 1.00 0.00 C ATOM 1080 O GLY A 72 2.402 -3.542 9.214 1.00 0.00 O ATOM 0 H GLY A 72 5.877 -2.337 7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.729 -4.830 9.057 1.00 0.00 H new ATOM 0 HA3 GLY A 72 4.997 -3.394 10.025 1.00 0.00 H new ATOM 1084 N HIS A 73 3.388 -2.368 7.572 1.00 0.00 N ATOM 1085 CA HIS A 73 2.136 -1.791 7.109 1.00 0.00 C ATOM 1086 C HIS A 73 1.487 -2.657 6.031 1.00 0.00 C ATOM 1087 O HIS A 73 2.007 -2.780 4.923 1.00 0.00 O ATOM 1088 CB HIS A 73 2.365 -0.379 6.557 1.00 0.00 C ATOM 1089 CG HIS A 73 3.448 0.387 7.255 1.00 0.00 C ATOM 1090 ND1 HIS A 73 3.806 0.165 8.569 1.00 0.00 N ATOM 1091 CD2 HIS A 73 4.260 1.375 6.809 1.00 0.00 C ATOM 1092 CE1 HIS A 73 4.790 0.982 8.900 1.00 0.00 C ATOM 1093 NE2 HIS A 73 5.085 1.725 7.849 1.00 0.00 N ATOM 0 H HIS A 73 4.212 -2.075 7.048 1.00 0.00 H new ATOM 0 HA HIS A 73 1.465 -1.742 7.966 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.612 -0.451 5.498 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.434 0.183 6.630 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.259 1.807 5.819 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.271 1.033 9.866 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.809 2.443 7.815 1.00 0.00 H new ATOM 1101 N SER A 74 0.341 -3.244 6.358 1.00 0.00 N ATOM 1102 CA SER A 74 -0.390 -4.083 5.413 1.00 0.00 C ATOM 1103 C SER A 74 -1.788 -3.514 5.175 1.00 0.00 C ATOM 1104 O SER A 74 -2.604 -3.449 6.094 1.00 0.00 O ATOM 1105 CB SER A 74 -0.487 -5.518 5.936 1.00 0.00 C ATOM 1106 OG SER A 74 0.789 -6.133 5.982 1.00 0.00 O ATOM 0 H SER A 74 -0.103 -3.155 7.272 1.00 0.00 H new ATOM 0 HA SER A 74 0.152 -4.094 4.467 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.929 -5.516 6.932 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.150 -6.098 5.294 1.00 0.00 H new ATOM 0 HG SER A 74 0.699 -7.048 6.321 1.00 0.00 H new ATOM 1112 N VAL A 75 -2.057 -3.088 3.943 1.00 0.00 N ATOM 1113 CA VAL A 75 -3.354 -2.508 3.599 1.00 0.00 C ATOM 1114 C VAL A 75 -3.840 -3.002 2.238 1.00 0.00 C ATOM 1115 O VAL A 75 -3.042 -3.398 1.390 1.00 0.00 O ATOM 1116 CB VAL A 75 -3.274 -0.968 3.579 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -4.621 -0.344 3.245 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -2.745 -0.441 4.907 1.00 0.00 C ATOM 0 H VAL A 75 -1.396 -3.133 3.167 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.063 -2.826 4.363 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.576 -0.681 2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.528 0.742 3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.946 -0.685 2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.355 -0.641 3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.696 0.647 4.873 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.412 -0.749 5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.748 -0.844 5.087 1.00 0.00 H new ATOM 1128 N GLN A 76 -5.156 -2.978 2.039 1.00 0.00 N ATOM 1129 CA GLN A 76 -5.751 -3.425 0.786 1.00 0.00 C ATOM 1130 C GLN A 76 -6.381 -2.261 0.032 1.00 0.00 C ATOM 1131 O GLN A 76 -6.512 -1.160 0.568 1.00 0.00 O ATOM 1132 CB GLN A 76 -6.810 -4.493 1.056 1.00 0.00 C ATOM 1133 CG GLN A 76 -6.365 -5.556 2.047 1.00 0.00 C ATOM 1134 CD GLN A 76 -7.398 -5.823 3.123 1.00 0.00 C ATOM 1135 OE1 GLN A 76 -8.372 -5.084 3.263 1.00 0.00 O ATOM 1136 NE2 GLN A 76 -7.187 -6.884 3.893 1.00 0.00 N ATOM 0 H GLN A 76 -5.830 -2.653 2.732 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.957 -3.848 0.170 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.712 -4.011 1.434 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.076 -4.974 0.115 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.157 -6.482 1.511 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.432 -5.242 2.515 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.365 -7.469 3.741 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.846 -7.114 4.636 1.00 0.00 H new ATOM 1145 N VAL A 77 -6.769 -2.514 -1.214 1.00 0.00 N ATOM 1146 CA VAL A 77 -7.387 -1.492 -2.050 1.00 0.00 C ATOM 1147 C VAL A 77 -8.585 -2.058 -2.800 1.00 0.00 C ATOM 1148 O VAL A 77 -8.585 -3.227 -3.180 1.00 0.00 O ATOM 1149 CB VAL A 77 -6.387 -0.923 -3.071 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -6.987 0.272 -3.796 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -5.084 -0.550 -2.385 1.00 0.00 C ATOM 0 H VAL A 77 -6.666 -3.422 -1.668 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.714 -0.692 -1.386 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.170 -1.691 -3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.266 0.662 -4.514 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.891 -0.037 -4.321 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.235 1.049 -3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.387 -0.149 -3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.278 0.203 -1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.651 -1.436 -1.920 1.00 0.00 H new ATOM 1161 N VAL A 78 -9.604 -1.227 -3.009 1.00 0.00 N ATOM 1162 CA VAL A 78 -10.807 -1.659 -3.714 1.00 0.00 C ATOM 1163 C VAL A 78 -11.186 -0.688 -4.829 1.00 0.00 C ATOM 1164 O VAL A 78 -10.916 0.511 -4.744 1.00 0.00 O ATOM 1165 CB VAL A 78 -12.000 -1.797 -2.746 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -11.734 -2.885 -1.717 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -12.293 -0.469 -2.063 1.00 0.00 C ATOM 0 H VAL A 78 -9.620 -0.255 -2.701 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.579 -2.631 -4.152 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.878 -2.084 -3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.588 -2.966 -1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.581 -3.837 -2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.842 -2.633 -1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.138 -0.587 -1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.417 -0.149 -1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.535 0.282 -2.815 1.00 0.00 H new ATOM 1177 N ALA A 79 -11.820 -1.217 -5.874 1.00 0.00 N ATOM 1178 CA ALA A 79 -12.246 -0.404 -7.008 1.00 0.00 C ATOM 1179 C ALA A 79 -13.766 -0.378 -7.120 1.00 0.00 C ATOM 1180 O ALA A 79 -14.379 0.601 -6.644 1.00 0.00 O ATOM 1181 CB ALA A 79 -11.635 -0.929 -8.297 1.00 0.00 C ATOM 1182 OXT ALA A 79 -14.333 -1.339 -7.683 1.00 0.00 O ATOM 0 H ALA A 79 -12.050 -2.207 -5.957 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.897 0.615 -6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.963 -0.311 -9.133 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.548 -0.895 -8.225 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.955 -1.958 -8.459 1.00 0.00 H new