USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=12 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 Set 1.1: A 47 GLN : amide:sc= 0 K(o=0.21,f=-0.43) USER MOD Set 1.2: A 56 THR OG1 : rot -61:sc= 0.213 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= -1.04 K(o=-1,f=-4.4!) USER MOD Single : A 20 HIS : no HD1:sc= -5.78! C(o=-5.8!,f=-12!) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 160:sc= 0.28 USER MOD Single : A 35 SER OG : rot -49:sc= -1.69! USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0571) USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= -0.0378 (180deg=-0.327) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= -1.87! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.213 K(o=-0.21,f=-0.85!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.892 USER MOD Single : A 69 SER OG : rot 6:sc= 0.0929 USER MOD Single : A 73 HIS : no HD1:sc= -0.527 K(o=-0.53,f=-1.3!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 157 N ALA A 11 -7.730 -1.742 7.277 1.00 0.00 N ATOM 158 CA ALA A 11 -7.057 -0.861 6.334 1.00 0.00 C ATOM 159 C ALA A 11 -7.506 -1.150 4.908 1.00 0.00 C ATOM 160 O ALA A 11 -7.004 -2.071 4.264 1.00 0.00 O ATOM 161 CB ALA A 11 -5.549 -1.012 6.450 1.00 0.00 C ATOM 0 HA ALA A 11 -7.327 0.167 6.578 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.061 -0.346 5.738 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.234 -0.755 7.461 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.269 -2.043 6.234 1.00 0.00 H new ATOM 167 N THR A 12 -8.453 -0.360 4.419 1.00 0.00 N ATOM 168 CA THR A 12 -8.965 -0.536 3.065 1.00 0.00 C ATOM 169 C THR A 12 -8.951 0.785 2.303 1.00 0.00 C ATOM 170 O THR A 12 -9.612 1.746 2.698 1.00 0.00 O ATOM 171 CB THR A 12 -10.387 -1.103 3.101 1.00 0.00 C ATOM 172 OG1 THR A 12 -10.890 -1.120 4.426 1.00 0.00 O ATOM 173 CG2 THR A 12 -10.482 -2.513 2.556 1.00 0.00 C ATOM 0 H THR A 12 -8.882 0.407 4.937 1.00 0.00 H new ATOM 0 HA THR A 12 -8.315 -1.241 2.547 1.00 0.00 H new ATOM 0 HB THR A 12 -10.976 -0.443 2.465 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.800 -1.484 4.426 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.515 -2.855 2.610 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.150 -2.525 1.518 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.849 -3.175 3.147 1.00 0.00 H new ATOM 181 N PHE A 13 -8.202 0.826 1.207 1.00 0.00 N ATOM 182 CA PHE A 13 -8.115 2.031 0.390 1.00 0.00 C ATOM 183 C PHE A 13 -9.049 1.931 -0.813 1.00 0.00 C ATOM 184 O PHE A 13 -9.314 0.838 -1.315 1.00 0.00 O ATOM 185 CB PHE A 13 -6.676 2.262 -0.084 1.00 0.00 C ATOM 186 CG PHE A 13 -6.487 3.577 -0.786 1.00 0.00 C ATOM 187 CD1 PHE A 13 -6.851 4.765 -0.171 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.947 3.627 -2.061 1.00 0.00 C ATOM 189 CE1 PHE A 13 -6.681 5.976 -0.816 1.00 0.00 C ATOM 190 CE2 PHE A 13 -5.774 4.835 -2.710 1.00 0.00 C ATOM 191 CZ PHE A 13 -6.142 6.011 -2.086 1.00 0.00 C ATOM 0 H PHE A 13 -7.648 0.041 0.864 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.421 2.878 1.004 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.006 2.216 0.775 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.388 1.454 -0.756 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.272 4.744 0.823 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.658 2.711 -2.554 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.970 6.894 -0.326 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.352 4.859 -3.704 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.008 6.956 -2.591 1.00 0.00 H new ATOM 201 N SER A 14 -9.547 3.076 -1.270 1.00 0.00 N ATOM 202 CA SER A 14 -10.453 3.113 -2.413 1.00 0.00 C ATOM 203 C SER A 14 -9.741 3.630 -3.657 1.00 0.00 C ATOM 204 O SER A 14 -8.840 4.464 -3.567 1.00 0.00 O ATOM 205 CB SER A 14 -11.664 3.996 -2.105 1.00 0.00 C ATOM 206 OG SER A 14 -12.638 3.285 -1.359 1.00 0.00 O ATOM 0 H SER A 14 -9.339 3.990 -0.867 1.00 0.00 H new ATOM 0 HA SER A 14 -10.792 2.095 -2.605 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.344 4.875 -1.546 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.104 4.353 -3.036 1.00 0.00 H new ATOM 0 HG SER A 14 -13.401 3.872 -1.174 1.00 0.00 H new ATOM 212 N LEU A 15 -10.151 3.129 -4.816 1.00 0.00 N ATOM 213 CA LEU A 15 -9.552 3.540 -6.081 1.00 0.00 C ATOM 214 C LEU A 15 -10.623 3.992 -7.071 1.00 0.00 C ATOM 215 O LEU A 15 -10.411 4.928 -7.843 1.00 0.00 O ATOM 216 CB LEU A 15 -8.730 2.394 -6.674 1.00 0.00 C ATOM 217 CG LEU A 15 -7.240 2.423 -6.324 1.00 0.00 C ATOM 218 CD1 LEU A 15 -6.553 1.152 -6.803 1.00 0.00 C ATOM 219 CD2 LEU A 15 -6.574 3.654 -6.927 1.00 0.00 C ATOM 0 H LEU A 15 -10.896 2.438 -4.907 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.891 4.385 -5.887 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.151 1.449 -6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.834 2.415 -7.759 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.142 2.476 -5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.495 1.191 -6.545 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.012 0.287 -6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.660 1.066 -7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.515 3.658 -6.668 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.682 3.632 -8.011 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.047 4.553 -6.533 1.00 0.00 H new ATOM 231 N GLY A 16 -11.774 3.327 -7.043 1.00 0.00 N ATOM 232 CA GLY A 16 -12.860 3.681 -7.940 1.00 0.00 C ATOM 233 C GLY A 16 -12.724 3.036 -9.307 1.00 0.00 C ATOM 234 O GLY A 16 -12.854 1.819 -9.442 1.00 0.00 O ATOM 0 H GLY A 16 -11.974 2.549 -6.415 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.808 3.380 -7.493 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.892 4.764 -8.055 1.00 0.00 H new ATOM 238 N LYS A 17 -12.466 3.854 -10.321 1.00 0.00 N ATOM 239 CA LYS A 17 -12.315 3.362 -11.686 1.00 0.00 C ATOM 240 C LYS A 17 -11.128 4.030 -12.378 1.00 0.00 C ATOM 241 O LYS A 17 -11.263 4.585 -13.468 1.00 0.00 O ATOM 242 CB LYS A 17 -13.596 3.613 -12.484 1.00 0.00 C ATOM 243 CG LYS A 17 -13.585 2.984 -13.868 1.00 0.00 C ATOM 244 CD LYS A 17 -14.329 3.846 -14.875 1.00 0.00 C ATOM 245 CE LYS A 17 -14.191 3.301 -16.287 1.00 0.00 C ATOM 246 NZ LYS A 17 -15.329 3.713 -17.154 1.00 0.00 N ATOM 0 H LYS A 17 -12.357 4.863 -10.223 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.128 2.289 -11.642 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.445 3.223 -11.924 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.747 4.688 -12.584 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.555 2.844 -14.197 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.043 1.996 -13.824 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -15.384 3.894 -14.604 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.943 4.865 -14.838 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.256 3.654 -16.723 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -14.136 2.213 -16.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -15.198 3.321 -18.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -16.219 3.355 -16.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -15.366 4.751 -17.208 1.00 0.00 H new ATOM 260 N HIS A 18 -9.967 3.973 -11.733 1.00 0.00 N ATOM 261 CA HIS A 18 -8.755 4.572 -12.281 1.00 0.00 C ATOM 262 C HIS A 18 -7.826 3.501 -12.854 1.00 0.00 C ATOM 263 O HIS A 18 -7.882 2.340 -12.448 1.00 0.00 O ATOM 264 CB HIS A 18 -8.025 5.370 -11.197 1.00 0.00 C ATOM 265 CG HIS A 18 -8.883 6.399 -10.527 1.00 0.00 C ATOM 266 ND1 HIS A 18 -10.246 6.483 -10.712 1.00 0.00 N ATOM 267 CD2 HIS A 18 -8.562 7.394 -9.665 1.00 0.00 C ATOM 268 CE1 HIS A 18 -10.729 7.482 -9.996 1.00 0.00 C ATOM 269 NE2 HIS A 18 -9.728 8.050 -9.350 1.00 0.00 N ATOM 0 H HIS A 18 -9.840 3.518 -10.829 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.044 5.244 -13.089 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.645 4.680 -10.444 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.161 5.864 -11.641 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.575 7.628 -9.295 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.765 7.783 -9.947 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -9.807 8.847 -8.719 1.00 0.00 H new ATOM 277 N PRO A 19 -6.954 3.879 -13.807 1.00 0.00 N ATOM 278 CA PRO A 19 -6.010 2.949 -14.433 1.00 0.00 C ATOM 279 C PRO A 19 -5.219 2.149 -13.403 1.00 0.00 C ATOM 280 O PRO A 19 -5.067 0.936 -13.538 1.00 0.00 O ATOM 281 CB PRO A 19 -5.073 3.857 -15.247 1.00 0.00 C ATOM 282 CG PRO A 19 -5.394 5.255 -14.826 1.00 0.00 C ATOM 283 CD PRO A 19 -6.816 5.235 -14.349 1.00 0.00 C ATOM 0 HA PRO A 19 -6.524 2.205 -15.042 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.028 3.619 -15.048 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.232 3.724 -16.317 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.723 5.586 -14.034 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.273 5.949 -15.658 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.999 5.995 -13.590 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.519 5.420 -15.162 1.00 0.00 H new ATOM 291 N HIS A 20 -4.736 2.841 -12.370 1.00 0.00 N ATOM 292 CA HIS A 20 -3.970 2.221 -11.285 1.00 0.00 C ATOM 293 C HIS A 20 -3.241 3.286 -10.469 1.00 0.00 C ATOM 294 O HIS A 20 -3.537 4.475 -10.591 1.00 0.00 O ATOM 295 CB HIS A 20 -2.990 1.165 -11.806 1.00 0.00 C ATOM 296 CG HIS A 20 -1.839 1.735 -12.553 1.00 0.00 C ATOM 297 ND1 HIS A 20 -0.885 2.515 -11.953 1.00 0.00 N ATOM 298 CD2 HIS A 20 -1.484 1.637 -13.855 1.00 0.00 C ATOM 299 CE1 HIS A 20 0.008 2.876 -12.844 1.00 0.00 C ATOM 300 NE2 HIS A 20 -0.328 2.358 -14.011 1.00 0.00 N ATOM 0 H HIS A 20 -4.864 3.847 -12.261 1.00 0.00 H new ATOM 0 HA HIS A 20 -4.678 1.707 -10.635 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.614 0.585 -10.964 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.526 0.473 -12.455 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.011 1.094 -14.625 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.873 3.494 -12.654 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.187 2.475 -14.884 1.00 0.00 H new ATOM 308 N VAL A 21 -2.303 2.864 -9.626 1.00 0.00 N ATOM 309 CA VAL A 21 -1.566 3.812 -8.790 1.00 0.00 C ATOM 310 C VAL A 21 -0.107 3.420 -8.604 1.00 0.00 C ATOM 311 O VAL A 21 0.253 2.249 -8.691 1.00 0.00 O ATOM 312 CB VAL A 21 -2.202 3.931 -7.397 1.00 0.00 C ATOM 313 CG1 VAL A 21 -3.536 4.657 -7.473 1.00 0.00 C ATOM 314 CG2 VAL A 21 -2.364 2.549 -6.784 1.00 0.00 C ATOM 0 H VAL A 21 -2.036 1.887 -9.503 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.613 4.765 -9.317 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.544 4.519 -6.757 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.968 4.730 -6.475 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.383 5.658 -7.876 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.215 4.104 -8.123 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.816 2.640 -5.796 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.006 1.941 -7.422 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.387 2.074 -6.694 1.00 0.00 H new ATOM 324 N GLU A 22 0.722 4.417 -8.310 1.00 0.00 N ATOM 325 CA GLU A 22 2.142 4.195 -8.074 1.00 0.00 C ATOM 326 C GLU A 22 2.380 3.849 -6.608 1.00 0.00 C ATOM 327 O GLU A 22 1.738 4.411 -5.723 1.00 0.00 O ATOM 328 CB GLU A 22 2.943 5.443 -8.454 1.00 0.00 C ATOM 329 CG GLU A 22 3.583 5.366 -9.831 1.00 0.00 C ATOM 330 CD GLU A 22 3.601 6.704 -10.542 1.00 0.00 C ATOM 331 OE1 GLU A 22 4.405 7.575 -10.148 1.00 0.00 O ATOM 332 OE2 GLU A 22 2.812 6.882 -11.493 1.00 0.00 O ATOM 0 H GLU A 22 0.431 5.391 -8.230 1.00 0.00 H new ATOM 0 HA GLU A 22 2.474 3.362 -8.694 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.285 6.311 -8.418 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.723 5.603 -7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.604 4.997 -9.733 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.040 4.643 -10.440 1.00 0.00 H new ATOM 339 N LEU A 23 3.294 2.914 -6.356 1.00 0.00 N ATOM 340 CA LEU A 23 3.605 2.488 -4.991 1.00 0.00 C ATOM 341 C LEU A 23 3.655 3.679 -4.033 1.00 0.00 C ATOM 342 O LEU A 23 3.209 3.585 -2.888 1.00 0.00 O ATOM 343 CB LEU A 23 4.937 1.736 -4.956 1.00 0.00 C ATOM 344 CG LEU A 23 6.163 2.565 -5.341 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.766 3.227 -4.114 1.00 0.00 C ATOM 346 CD2 LEU A 23 7.197 1.693 -6.038 1.00 0.00 C ATOM 0 H LEU A 23 3.833 2.436 -7.078 1.00 0.00 H new ATOM 0 HA LEU A 23 2.808 1.820 -4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.086 1.341 -3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.871 0.881 -5.628 1.00 0.00 H new ATOM 0 HG LEU A 23 5.847 3.346 -6.033 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.637 3.812 -4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.027 3.882 -3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.067 2.462 -3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.063 2.299 -6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.508 0.891 -5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.762 1.264 -6.941 1.00 0.00 H new ATOM 358 N CYS A 24 4.194 4.797 -4.508 1.00 0.00 N ATOM 359 CA CYS A 24 4.295 6.003 -3.693 1.00 0.00 C ATOM 360 C CYS A 24 2.916 6.602 -3.442 1.00 0.00 C ATOM 361 O CYS A 24 2.622 7.072 -2.344 1.00 0.00 O ATOM 362 CB CYS A 24 5.189 7.035 -4.382 1.00 0.00 C ATOM 363 SG CYS A 24 5.974 8.204 -3.249 1.00 0.00 S ATOM 0 H CYS A 24 4.567 4.893 -5.452 1.00 0.00 H new ATOM 0 HA CYS A 24 4.737 5.729 -2.735 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.964 6.512 -4.942 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.593 7.591 -5.106 1.00 0.00 H new ATOM 0 HG CYS A 24 6.711 9.035 -3.925 1.00 0.00 H new ATOM 369 N ASP A 25 2.072 6.574 -4.468 1.00 0.00 N ATOM 370 CA ASP A 25 0.721 7.108 -4.362 1.00 0.00 C ATOM 371 C ASP A 25 -0.069 6.361 -3.296 1.00 0.00 C ATOM 372 O ASP A 25 -0.546 6.952 -2.329 1.00 0.00 O ATOM 373 CB ASP A 25 -0.002 7.005 -5.708 1.00 0.00 C ATOM 374 CG ASP A 25 0.638 7.868 -6.778 1.00 0.00 C ATOM 375 OD1 ASP A 25 1.399 8.792 -6.419 1.00 0.00 O ATOM 376 OD2 ASP A 25 0.378 7.623 -7.974 1.00 0.00 O ATOM 0 H ASP A 25 2.301 6.186 -5.383 1.00 0.00 H new ATOM 0 HA ASP A 25 0.793 8.157 -4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.004 5.966 -6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.043 7.301 -5.581 1.00 0.00 H new ATOM 381 N LEU A 26 -0.202 5.053 -3.487 1.00 0.00 N ATOM 382 CA LEU A 26 -0.936 4.205 -2.555 1.00 0.00 C ATOM 383 C LEU A 26 -0.480 4.425 -1.117 1.00 0.00 C ATOM 384 O LEU A 26 -1.300 4.565 -0.210 1.00 0.00 O ATOM 385 CB LEU A 26 -0.755 2.733 -2.934 1.00 0.00 C ATOM 386 CG LEU A 26 -1.961 1.840 -2.655 1.00 0.00 C ATOM 387 CD1 LEU A 26 -3.214 2.437 -3.271 1.00 0.00 C ATOM 388 CD2 LEU A 26 -1.720 0.434 -3.184 1.00 0.00 C ATOM 0 H LEU A 26 0.192 4.554 -4.285 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.990 4.475 -2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.517 2.674 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.104 2.337 -2.392 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.103 1.778 -1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.066 1.789 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.396 3.423 -2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.081 2.528 -4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.591 -0.187 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.552 0.474 -4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.844 0.007 -2.696 1.00 0.00 H new ATOM 400 N LEU A 27 0.829 4.440 -0.916 1.00 0.00 N ATOM 401 CA LEU A 27 1.403 4.623 0.413 1.00 0.00 C ATOM 402 C LEU A 27 1.120 6.015 0.967 1.00 0.00 C ATOM 403 O LEU A 27 0.483 6.159 2.010 1.00 0.00 O ATOM 404 CB LEU A 27 2.912 4.378 0.358 1.00 0.00 C ATOM 405 CG LEU A 27 3.349 2.935 0.623 1.00 0.00 C ATOM 406 CD1 LEU A 27 2.527 1.956 -0.208 1.00 0.00 C ATOM 407 CD2 LEU A 27 4.833 2.769 0.329 1.00 0.00 C ATOM 0 H LEU A 27 1.519 4.327 -1.659 1.00 0.00 H new ATOM 0 HA LEU A 27 0.935 3.902 1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.277 4.676 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.396 5.027 1.088 1.00 0.00 H new ATOM 0 HG LEU A 27 3.175 2.714 1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.857 0.938 -0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.473 2.055 0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.663 2.174 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.129 1.738 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.026 3.013 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.408 3.438 0.970 1.00 0.00 H new ATOM 419 N LYS A 28 1.602 7.039 0.271 1.00 0.00 N ATOM 420 CA LYS A 28 1.406 8.420 0.705 1.00 0.00 C ATOM 421 C LYS A 28 -0.065 8.704 1.007 1.00 0.00 C ATOM 422 O LYS A 28 -0.408 9.152 2.101 1.00 0.00 O ATOM 423 CB LYS A 28 1.922 9.388 -0.363 1.00 0.00 C ATOM 424 CG LYS A 28 2.705 10.560 0.204 1.00 0.00 C ATOM 425 CD LYS A 28 2.568 11.797 -0.669 1.00 0.00 C ATOM 426 CE LYS A 28 3.683 11.880 -1.699 1.00 0.00 C ATOM 427 NZ LYS A 28 3.815 13.250 -2.271 1.00 0.00 N ATOM 0 H LYS A 28 2.131 6.940 -0.596 1.00 0.00 H new ATOM 0 HA LYS A 28 1.973 8.567 1.624 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.557 8.841 -1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.076 9.770 -0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.351 10.783 1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.757 10.289 0.289 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.603 11.780 -1.176 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.583 12.689 -0.043 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.626 11.588 -1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.488 11.169 -2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.586 13.262 -2.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.924 13.520 -2.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.027 13.925 -1.509 1.00 0.00 H new ATOM 441 N LEU A 29 -0.926 8.450 0.027 1.00 0.00 N ATOM 442 CA LEU A 29 -2.358 8.687 0.182 1.00 0.00 C ATOM 443 C LEU A 29 -2.922 7.964 1.406 1.00 0.00 C ATOM 444 O LEU A 29 -3.734 8.523 2.144 1.00 0.00 O ATOM 445 CB LEU A 29 -3.108 8.244 -1.077 1.00 0.00 C ATOM 446 CG LEU A 29 -4.083 9.277 -1.644 1.00 0.00 C ATOM 447 CD1 LEU A 29 -5.136 9.637 -0.608 1.00 0.00 C ATOM 448 CD2 LEU A 29 -3.334 10.520 -2.106 1.00 0.00 C ATOM 0 H LEU A 29 -0.657 8.079 -0.885 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.500 9.758 0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.379 7.994 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.659 7.331 -0.851 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.586 8.842 -2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.822 10.373 -1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.691 8.742 -0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.651 10.054 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.043 11.244 -2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.804 10.960 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.618 10.246 -2.881 1.00 0.00 H new ATOM 460 N GLU A 30 -2.500 6.720 1.612 1.00 0.00 N ATOM 461 CA GLU A 30 -2.982 5.933 2.744 1.00 0.00 C ATOM 462 C GLU A 30 -2.363 6.395 4.061 1.00 0.00 C ATOM 463 O GLU A 30 -2.840 6.031 5.135 1.00 0.00 O ATOM 464 CB GLU A 30 -2.691 4.447 2.535 1.00 0.00 C ATOM 465 CG GLU A 30 -3.883 3.657 2.021 1.00 0.00 C ATOM 466 CD GLU A 30 -4.956 3.468 3.076 1.00 0.00 C ATOM 467 OE1 GLU A 30 -5.019 4.293 4.012 1.00 0.00 O ATOM 468 OE2 GLU A 30 -5.732 2.497 2.966 1.00 0.00 O ATOM 0 H GLU A 30 -1.829 6.237 1.014 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.060 6.085 2.801 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.866 4.343 1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.360 4.015 3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.311 4.171 1.161 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.545 2.681 1.673 1.00 0.00 H new ATOM 475 N GLY A 31 -1.308 7.203 3.984 1.00 0.00 N ATOM 476 CA GLY A 31 -0.672 7.692 5.193 1.00 0.00 C ATOM 477 C GLY A 31 0.531 6.867 5.614 1.00 0.00 C ATOM 478 O GLY A 31 0.897 6.856 6.789 1.00 0.00 O ATOM 0 H GLY A 31 -0.886 7.525 3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.360 8.725 5.039 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.402 7.697 6.003 1.00 0.00 H new ATOM 482 N TRP A 32 1.159 6.182 4.659 1.00 0.00 N ATOM 483 CA TRP A 32 2.333 5.366 4.962 1.00 0.00 C ATOM 484 C TRP A 32 3.546 6.260 5.193 1.00 0.00 C ATOM 485 O TRP A 32 4.102 6.301 6.290 1.00 0.00 O ATOM 486 CB TRP A 32 2.618 4.372 3.829 1.00 0.00 C ATOM 487 CG TRP A 32 1.517 3.374 3.626 1.00 0.00 C ATOM 488 CD1 TRP A 32 0.181 3.644 3.567 1.00 0.00 C ATOM 489 CD2 TRP A 32 1.647 1.950 3.459 1.00 0.00 C ATOM 490 NE1 TRP A 32 -0.526 2.485 3.374 1.00 0.00 N ATOM 491 CE2 TRP A 32 0.345 1.437 3.306 1.00 0.00 C ATOM 492 CE3 TRP A 32 2.728 1.052 3.420 1.00 0.00 C ATOM 493 CZ2 TRP A 32 0.092 0.086 3.121 1.00 0.00 C ATOM 494 CZ3 TRP A 32 2.463 -0.294 3.236 1.00 0.00 C ATOM 495 CH2 TRP A 32 1.153 -0.762 3.089 1.00 0.00 C ATOM 0 H TRP A 32 0.878 6.175 3.679 1.00 0.00 H new ATOM 0 HA TRP A 32 2.129 4.798 5.870 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.775 4.923 2.902 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.545 3.841 4.045 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -0.256 4.627 3.659 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.541 2.417 3.294 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.743 1.405 3.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.917 -0.281 3.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.283 -0.996 3.205 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.982 -1.819 2.947 1.00 0.00 H new ATOM 506 N SER A 33 3.941 6.984 4.151 1.00 0.00 N ATOM 507 CA SER A 33 5.079 7.891 4.233 1.00 0.00 C ATOM 508 C SER A 33 4.602 9.340 4.253 1.00 0.00 C ATOM 509 O SER A 33 3.633 9.689 3.579 1.00 0.00 O ATOM 510 CB SER A 33 6.018 7.661 3.047 1.00 0.00 C ATOM 511 OG SER A 33 7.159 8.504 3.114 1.00 0.00 O ATOM 0 H SER A 33 3.488 6.960 3.237 1.00 0.00 H new ATOM 0 HA SER A 33 5.621 7.691 5.157 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.335 6.618 3.030 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.482 7.846 2.116 1.00 0.00 H new ATOM 0 HG SER A 33 7.874 8.132 2.556 1.00 0.00 H new ATOM 517 N GLU A 34 5.279 10.183 5.028 1.00 0.00 N ATOM 518 CA GLU A 34 4.901 11.589 5.119 1.00 0.00 C ATOM 519 C GLU A 34 5.387 12.359 3.896 1.00 0.00 C ATOM 520 O GLU A 34 4.717 13.275 3.420 1.00 0.00 O ATOM 521 CB GLU A 34 5.483 12.212 6.389 1.00 0.00 C ATOM 522 CG GLU A 34 4.837 13.533 6.772 1.00 0.00 C ATOM 523 CD GLU A 34 3.337 13.414 6.965 1.00 0.00 C ATOM 524 OE1 GLU A 34 2.910 12.587 7.797 1.00 0.00 O ATOM 525 OE2 GLU A 34 2.591 14.149 6.284 1.00 0.00 O ATOM 0 H GLU A 34 6.084 9.920 5.597 1.00 0.00 H new ATOM 0 HA GLU A 34 3.813 11.647 5.158 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.368 11.509 7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.553 12.368 6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.290 13.901 7.692 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.043 14.272 5.997 1.00 0.00 H new ATOM 532 N SER A 35 6.545 11.965 3.379 1.00 0.00 N ATOM 533 CA SER A 35 7.110 12.601 2.196 1.00 0.00 C ATOM 534 C SER A 35 6.963 11.689 0.984 1.00 0.00 C ATOM 535 O SER A 35 6.631 12.140 -0.113 1.00 0.00 O ATOM 536 CB SER A 35 8.582 12.946 2.417 1.00 0.00 C ATOM 537 OG SER A 35 9.396 11.793 2.299 1.00 0.00 O ATOM 0 H SER A 35 7.111 11.207 3.761 1.00 0.00 H new ATOM 0 HA SER A 35 6.563 13.525 2.012 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.897 13.694 1.690 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.712 13.388 3.405 1.00 0.00 H new ATOM 0 HG SER A 35 9.019 11.070 2.842 1.00 0.00 H new ATOM 543 N GLY A 36 7.214 10.399 1.197 1.00 0.00 N ATOM 544 CA GLY A 36 7.107 9.428 0.124 1.00 0.00 C ATOM 545 C GLY A 36 8.438 8.778 -0.216 1.00 0.00 C ATOM 546 O GLY A 36 8.485 7.604 -0.583 1.00 0.00 O ATOM 0 H GLY A 36 7.491 10.009 2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.393 8.656 0.409 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.709 9.918 -0.765 1.00 0.00 H new ATOM 550 N ALA A 37 9.522 9.542 -0.095 1.00 0.00 N ATOM 551 CA ALA A 37 10.856 9.028 -0.397 1.00 0.00 C ATOM 552 C ALA A 37 11.844 9.310 0.739 1.00 0.00 C ATOM 553 O ALA A 37 13.045 9.089 0.593 1.00 0.00 O ATOM 554 CB ALA A 37 11.366 9.624 -1.701 1.00 0.00 C ATOM 0 H ALA A 37 9.503 10.515 0.209 1.00 0.00 H new ATOM 0 HA ALA A 37 10.778 7.946 -0.504 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.361 9.233 -1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.689 9.357 -2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.414 10.709 -1.611 1.00 0.00 H new ATOM 560 N GLN A 38 11.333 9.798 1.868 1.00 0.00 N ATOM 561 CA GLN A 38 12.177 10.103 3.020 1.00 0.00 C ATOM 562 C GLN A 38 12.890 8.846 3.509 1.00 0.00 C ATOM 563 O GLN A 38 14.091 8.675 3.293 1.00 0.00 O ATOM 564 CB GLN A 38 11.339 10.706 4.150 1.00 0.00 C ATOM 565 CG GLN A 38 12.127 10.985 5.420 1.00 0.00 C ATOM 566 CD GLN A 38 12.659 12.403 5.475 1.00 0.00 C ATOM 567 OE1 GLN A 38 11.921 13.344 5.771 1.00 0.00 O ATOM 568 NE2 GLN A 38 13.946 12.565 5.190 1.00 0.00 N ATOM 0 H GLN A 38 10.341 9.990 2.009 1.00 0.00 H new ATOM 0 HA GLN A 38 12.927 10.831 2.712 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.891 11.636 3.800 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.520 10.026 4.384 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.489 10.806 6.286 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.960 10.285 5.488 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.521 11.757 4.950 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.360 13.497 5.211 1.00 0.00 H new ATOM 577 N ALA A 39 12.142 7.970 4.172 1.00 0.00 N ATOM 578 CA ALA A 39 12.691 6.724 4.697 1.00 0.00 C ATOM 579 C ALA A 39 12.821 5.660 3.608 1.00 0.00 C ATOM 580 O ALA A 39 12.980 4.477 3.907 1.00 0.00 O ATOM 581 CB ALA A 39 11.810 6.205 5.822 1.00 0.00 C ATOM 0 H ALA A 39 11.148 8.101 4.359 1.00 0.00 H new ATOM 0 HA ALA A 39 13.690 6.935 5.078 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.225 5.275 6.210 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.768 6.944 6.622 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.805 6.023 5.442 1.00 0.00 H new ATOM 587 N LYS A 40 12.734 6.076 2.346 1.00 0.00 N ATOM 588 CA LYS A 40 12.824 5.147 1.229 1.00 0.00 C ATOM 589 C LYS A 40 11.645 4.180 1.252 1.00 0.00 C ATOM 590 O LYS A 40 11.740 3.054 0.767 1.00 0.00 O ATOM 591 CB LYS A 40 14.144 4.372 1.268 1.00 0.00 C ATOM 592 CG LYS A 40 15.375 5.263 1.214 1.00 0.00 C ATOM 593 CD LYS A 40 15.861 5.458 -0.213 1.00 0.00 C ATOM 594 CE LYS A 40 15.278 6.718 -0.834 1.00 0.00 C ATOM 595 NZ LYS A 40 14.363 6.407 -1.966 1.00 0.00 N ATOM 0 H LYS A 40 12.601 7.050 2.075 1.00 0.00 H new ATOM 0 HA LYS A 40 12.793 5.722 0.304 1.00 0.00 H new ATOM 0 HB2 LYS A 40 14.178 3.774 2.179 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.172 3.676 0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.143 6.232 1.656 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.171 4.822 1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 40 16.949 5.517 -0.223 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.583 4.593 -0.815 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.736 7.280 -0.073 1.00 0.00 H new ATOM 0 HE3 LYS A 40 16.088 7.357 -1.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.858 7.270 -2.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.916 6.047 -2.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.675 5.686 -1.668 1.00 0.00 H new ATOM 609 N ILE A 41 10.532 4.637 1.821 1.00 0.00 N ATOM 610 CA ILE A 41 9.325 3.824 1.909 1.00 0.00 C ATOM 611 C ILE A 41 8.792 3.479 0.519 1.00 0.00 C ATOM 612 O ILE A 41 7.977 2.570 0.364 1.00 0.00 O ATOM 613 CB ILE A 41 8.223 4.549 2.716 1.00 0.00 C ATOM 614 CG1 ILE A 41 8.667 4.743 4.170 1.00 0.00 C ATOM 615 CG2 ILE A 41 6.913 3.774 2.654 1.00 0.00 C ATOM 616 CD1 ILE A 41 8.864 6.194 4.555 1.00 0.00 C ATOM 0 H ILE A 41 10.443 5.568 2.228 1.00 0.00 H new ATOM 0 HA ILE A 41 9.594 2.902 2.425 1.00 0.00 H new ATOM 0 HB ILE A 41 8.059 5.530 2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.923 4.298 4.831 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.600 4.203 4.331 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.151 4.301 3.228 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.590 3.687 1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.059 2.778 3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.178 6.255 5.597 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.630 6.638 3.919 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.927 6.735 4.426 1.00 0.00 H new ATOM 628 N ALA A 42 9.253 4.216 -0.486 1.00 0.00 N ATOM 629 CA ALA A 42 8.821 3.991 -1.859 1.00 0.00 C ATOM 630 C ALA A 42 9.386 2.684 -2.416 1.00 0.00 C ATOM 631 O ALA A 42 8.698 1.658 -2.444 1.00 0.00 O ATOM 632 CB ALA A 42 9.228 5.166 -2.736 1.00 0.00 C ATOM 0 H ALA A 42 9.926 4.974 -0.375 1.00 0.00 H new ATOM 0 HA ALA A 42 7.734 3.907 -1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.900 4.987 -3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.764 6.078 -2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.312 5.276 -2.717 1.00 0.00 H new ATOM 638 N ILE A 43 10.642 2.724 -2.856 1.00 0.00 N ATOM 639 CA ILE A 43 11.294 1.542 -3.411 1.00 0.00 C ATOM 640 C ILE A 43 11.175 0.360 -2.459 1.00 0.00 C ATOM 641 O ILE A 43 11.053 -0.787 -2.887 1.00 0.00 O ATOM 642 CB ILE A 43 12.787 1.794 -3.708 1.00 0.00 C ATOM 643 CG1 ILE A 43 12.967 3.073 -4.530 1.00 0.00 C ATOM 644 CG2 ILE A 43 13.388 0.598 -4.434 1.00 0.00 C ATOM 645 CD1 ILE A 43 12.209 3.068 -5.841 1.00 0.00 C ATOM 0 H ILE A 43 11.226 3.560 -2.839 1.00 0.00 H new ATOM 0 HA ILE A 43 10.784 1.315 -4.347 1.00 0.00 H new ATOM 0 HB ILE A 43 13.312 1.925 -2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.640 3.925 -3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 43 14.028 3.216 -4.735 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.442 0.788 -4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 43 13.294 -0.291 -3.811 1.00 0.00 H new ATOM 0 HG23 ILE A 43 12.859 0.440 -5.374 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.385 4.006 -6.367 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.553 2.237 -6.457 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.143 2.957 -5.644 1.00 0.00 H new ATOM 657 N ALA A 44 11.206 0.651 -1.164 1.00 0.00 N ATOM 658 CA ALA A 44 11.094 -0.385 -0.149 1.00 0.00 C ATOM 659 C ALA A 44 9.759 -1.107 -0.265 1.00 0.00 C ATOM 660 O ALA A 44 9.705 -2.260 -0.692 1.00 0.00 O ATOM 661 CB ALA A 44 11.254 0.213 1.238 1.00 0.00 C ATOM 0 H ALA A 44 11.308 1.596 -0.794 1.00 0.00 H new ATOM 0 HA ALA A 44 11.892 -1.110 -0.309 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.168 -0.575 1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 44 12.233 0.685 1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.476 0.958 1.405 1.00 0.00 H new ATOM 667 N GLU A 45 8.683 -0.422 0.125 1.00 0.00 N ATOM 668 CA GLU A 45 7.337 -0.995 0.074 1.00 0.00 C ATOM 669 C GLU A 45 7.173 -1.914 -1.130 1.00 0.00 C ATOM 670 O GLU A 45 6.587 -2.992 -1.023 1.00 0.00 O ATOM 671 CB GLU A 45 6.283 0.108 0.032 1.00 0.00 C ATOM 672 CG GLU A 45 4.858 -0.421 0.027 1.00 0.00 C ATOM 673 CD GLU A 45 4.358 -0.736 -1.368 1.00 0.00 C ATOM 674 OE1 GLU A 45 4.328 0.185 -2.211 1.00 0.00 O ATOM 675 OE2 GLU A 45 3.997 -1.906 -1.619 1.00 0.00 O ATOM 0 H GLU A 45 8.718 0.533 0.481 1.00 0.00 H new ATOM 0 HA GLU A 45 7.197 -1.586 0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.417 0.762 0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.440 0.717 -0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.807 -1.321 0.639 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.199 0.316 0.487 1.00 0.00 H new ATOM 682 N GLY A 46 7.714 -1.494 -2.267 1.00 0.00 N ATOM 683 CA GLY A 46 7.634 -2.315 -3.459 1.00 0.00 C ATOM 684 C GLY A 46 8.324 -3.648 -3.247 1.00 0.00 C ATOM 685 O GLY A 46 7.668 -4.680 -3.100 1.00 0.00 O ATOM 0 H GLY A 46 8.203 -0.607 -2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.589 -2.480 -3.722 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.095 -1.792 -4.297 1.00 0.00 H new ATOM 689 N GLN A 47 9.655 -3.621 -3.238 1.00 0.00 N ATOM 690 CA GLN A 47 10.465 -4.827 -3.049 1.00 0.00 C ATOM 691 C GLN A 47 10.003 -5.674 -1.855 1.00 0.00 C ATOM 692 O GLN A 47 10.473 -6.798 -1.678 1.00 0.00 O ATOM 693 CB GLN A 47 11.939 -4.454 -2.877 1.00 0.00 C ATOM 694 CG GLN A 47 12.219 -3.589 -1.658 1.00 0.00 C ATOM 695 CD GLN A 47 13.675 -3.174 -1.564 1.00 0.00 C ATOM 696 OE1 GLN A 47 14.313 -2.875 -2.573 1.00 0.00 O ATOM 697 NE2 GLN A 47 14.210 -3.157 -0.348 1.00 0.00 N ATOM 0 H GLN A 47 10.202 -2.769 -3.361 1.00 0.00 H new ATOM 0 HA GLN A 47 10.336 -5.434 -3.945 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.529 -5.368 -2.805 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.276 -3.927 -3.769 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.592 -2.698 -1.697 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.941 -4.136 -0.757 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.645 -3.412 0.462 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.186 -2.889 -0.224 1.00 0.00 H new ATOM 706 N VAL A 48 9.089 -5.150 -1.039 1.00 0.00 N ATOM 707 CA VAL A 48 8.603 -5.899 0.113 1.00 0.00 C ATOM 708 C VAL A 48 7.648 -7.004 -0.336 1.00 0.00 C ATOM 709 O VAL A 48 8.090 -8.121 -0.599 1.00 0.00 O ATOM 710 CB VAL A 48 7.912 -4.992 1.151 1.00 0.00 C ATOM 711 CG1 VAL A 48 7.437 -5.816 2.343 1.00 0.00 C ATOM 712 CG2 VAL A 48 8.853 -3.886 1.600 1.00 0.00 C ATOM 0 H VAL A 48 8.677 -4.224 -1.153 1.00 0.00 H new ATOM 0 HA VAL A 48 9.473 -6.344 0.596 1.00 0.00 H new ATOM 0 HB VAL A 48 7.041 -4.530 0.686 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.951 -5.162 3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.728 -6.571 2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.291 -6.305 2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.350 -3.255 2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.743 -4.326 2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.142 -3.283 0.739 1.00 0.00 H new ATOM 722 N LYS A 49 6.348 -6.715 -0.436 1.00 0.00 N ATOM 723 CA LYS A 49 5.402 -7.742 -0.867 1.00 0.00 C ATOM 724 C LYS A 49 4.012 -7.176 -1.149 1.00 0.00 C ATOM 725 O LYS A 49 3.362 -6.631 -0.259 1.00 0.00 O ATOM 726 CB LYS A 49 5.298 -8.835 0.202 1.00 0.00 C ATOM 727 CG LYS A 49 6.009 -10.129 -0.168 1.00 0.00 C ATOM 728 CD LYS A 49 5.114 -11.050 -0.980 1.00 0.00 C ATOM 729 CE LYS A 49 4.002 -11.647 -0.131 1.00 0.00 C ATOM 730 NZ LYS A 49 4.533 -12.526 0.950 1.00 0.00 N ATOM 0 H LYS A 49 5.937 -5.805 -0.231 1.00 0.00 H new ATOM 0 HA LYS A 49 5.784 -8.158 -1.799 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.715 -8.457 1.136 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.245 -9.050 0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.909 -9.899 -0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.330 -10.640 0.740 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.679 -10.495 -1.811 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.713 -11.852 -1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.413 -10.844 0.312 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.329 -12.222 -0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.768 -13.129 1.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.294 -13.124 0.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.908 -11.939 1.722 1.00 0.00 H new ATOM 744 N VAL A 50 3.540 -7.354 -2.383 1.00 0.00 N ATOM 745 CA VAL A 50 2.206 -6.908 -2.756 1.00 0.00 C ATOM 746 C VAL A 50 1.352 -8.131 -3.077 1.00 0.00 C ATOM 747 O VAL A 50 1.871 -9.140 -3.549 1.00 0.00 O ATOM 748 CB VAL A 50 2.232 -5.956 -3.972 1.00 0.00 C ATOM 749 CG1 VAL A 50 0.841 -5.416 -4.269 1.00 0.00 C ATOM 750 CG2 VAL A 50 3.212 -4.817 -3.737 1.00 0.00 C ATOM 0 H VAL A 50 4.062 -7.802 -3.136 1.00 0.00 H new ATOM 0 HA VAL A 50 1.784 -6.353 -1.919 1.00 0.00 H new ATOM 0 HB VAL A 50 2.566 -6.523 -4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.886 -4.748 -5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.168 -6.245 -4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.471 -4.867 -3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.217 -4.157 -4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.910 -4.254 -2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.212 -5.223 -3.585 1.00 0.00 H new ATOM 760 N ASP A 51 0.056 -8.057 -2.795 1.00 0.00 N ATOM 761 CA ASP A 51 -0.842 -9.185 -3.041 1.00 0.00 C ATOM 762 C ASP A 51 -0.595 -9.808 -4.413 1.00 0.00 C ATOM 763 O ASP A 51 -1.077 -9.312 -5.432 1.00 0.00 O ATOM 764 CB ASP A 51 -2.295 -8.736 -2.929 1.00 0.00 C ATOM 765 CG ASP A 51 -3.215 -9.848 -2.469 1.00 0.00 C ATOM 766 OD1 ASP A 51 -3.431 -10.800 -3.248 1.00 0.00 O ATOM 767 OD2 ASP A 51 -3.720 -9.767 -1.330 1.00 0.00 O ATOM 0 H ASP A 51 -0.397 -7.234 -2.398 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.638 -9.943 -2.284 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.361 -7.902 -2.230 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.633 -8.367 -3.897 1.00 0.00 H new ATOM 772 N GLY A 52 0.162 -10.901 -4.424 1.00 0.00 N ATOM 773 CA GLY A 52 0.468 -11.585 -5.664 1.00 0.00 C ATOM 774 C GLY A 52 1.417 -10.798 -6.549 1.00 0.00 C ATOM 775 O GLY A 52 1.547 -11.088 -7.738 1.00 0.00 O ATOM 0 H GLY A 52 0.570 -11.326 -3.591 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.909 -12.556 -5.439 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.458 -11.773 -6.208 1.00 0.00 H new ATOM 779 N ALA A 53 2.080 -9.797 -5.974 1.00 0.00 N ATOM 780 CA ALA A 53 3.012 -8.974 -6.731 1.00 0.00 C ATOM 781 C ALA A 53 4.196 -8.520 -5.880 1.00 0.00 C ATOM 782 O ALA A 53 4.244 -7.380 -5.418 1.00 0.00 O ATOM 783 CB ALA A 53 2.291 -7.769 -7.315 1.00 0.00 C ATOM 0 H ALA A 53 1.988 -9.539 -4.991 1.00 0.00 H new ATOM 0 HA ALA A 53 3.408 -9.586 -7.541 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.998 -7.160 -7.879 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.494 -8.108 -7.977 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.864 -7.174 -6.508 1.00 0.00 H new ATOM 789 N VAL A 54 5.154 -9.411 -5.663 1.00 0.00 N ATOM 790 CA VAL A 54 6.326 -9.070 -4.871 1.00 0.00 C ATOM 791 C VAL A 54 7.417 -8.476 -5.760 1.00 0.00 C ATOM 792 O VAL A 54 8.504 -9.039 -5.891 1.00 0.00 O ATOM 793 CB VAL A 54 6.881 -10.299 -4.124 1.00 0.00 C ATOM 794 CG1 VAL A 54 7.303 -11.381 -5.107 1.00 0.00 C ATOM 795 CG2 VAL A 54 8.040 -9.897 -3.224 1.00 0.00 C ATOM 0 H VAL A 54 5.143 -10.366 -6.021 1.00 0.00 H new ATOM 0 HA VAL A 54 6.017 -8.330 -4.133 1.00 0.00 H new ATOM 0 HB VAL A 54 6.089 -10.707 -3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.692 -12.239 -4.559 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.442 -11.689 -5.701 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.078 -10.991 -5.767 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.419 -10.777 -2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.836 -9.461 -3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.696 -9.164 -2.494 1.00 0.00 H new ATOM 805 N GLU A 55 7.113 -7.337 -6.378 1.00 0.00 N ATOM 806 CA GLU A 55 8.059 -6.667 -7.264 1.00 0.00 C ATOM 807 C GLU A 55 8.758 -5.514 -6.549 1.00 0.00 C ATOM 808 O GLU A 55 8.631 -5.358 -5.335 1.00 0.00 O ATOM 809 CB GLU A 55 7.340 -6.146 -8.511 1.00 0.00 C ATOM 810 CG GLU A 55 6.381 -7.153 -9.126 1.00 0.00 C ATOM 811 CD GLU A 55 7.091 -8.193 -9.972 1.00 0.00 C ATOM 812 OE1 GLU A 55 7.592 -9.182 -9.397 1.00 0.00 O ATOM 813 OE2 GLU A 55 7.142 -8.019 -11.207 1.00 0.00 O ATOM 0 H GLU A 55 6.217 -6.859 -6.281 1.00 0.00 H new ATOM 0 HA GLU A 55 8.814 -7.395 -7.563 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.788 -5.243 -8.251 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.083 -5.862 -9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.826 -7.653 -8.332 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.652 -6.626 -9.741 1.00 0.00 H new ATOM 820 N THR A 56 9.500 -4.713 -7.309 1.00 0.00 N ATOM 821 CA THR A 56 10.221 -3.576 -6.743 1.00 0.00 C ATOM 822 C THR A 56 10.382 -2.454 -7.764 1.00 0.00 C ATOM 823 O THR A 56 11.409 -1.777 -7.797 1.00 0.00 O ATOM 824 CB THR A 56 11.595 -4.014 -6.236 1.00 0.00 C ATOM 825 OG1 THR A 56 12.315 -2.905 -5.726 1.00 0.00 O ATOM 826 CG2 THR A 56 12.451 -4.663 -7.302 1.00 0.00 C ATOM 0 H THR A 56 9.618 -4.829 -8.315 1.00 0.00 H new ATOM 0 HA THR A 56 9.633 -3.196 -5.908 1.00 0.00 H new ATOM 0 HB THR A 56 11.394 -4.751 -5.458 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.453 -2.248 -6.440 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.411 -4.949 -6.873 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.946 -5.550 -7.684 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.613 -3.958 -8.117 1.00 0.00 H new ATOM 834 N ARG A 57 9.363 -2.256 -8.591 1.00 0.00 N ATOM 835 CA ARG A 57 9.398 -1.208 -9.604 1.00 0.00 C ATOM 836 C ARG A 57 9.044 0.142 -8.989 1.00 0.00 C ATOM 837 O ARG A 57 8.573 0.210 -7.855 1.00 0.00 O ATOM 838 CB ARG A 57 8.426 -1.530 -10.741 1.00 0.00 C ATOM 839 CG ARG A 57 8.898 -2.652 -11.648 1.00 0.00 C ATOM 840 CD ARG A 57 8.379 -2.476 -13.066 1.00 0.00 C ATOM 841 NE ARG A 57 8.152 -3.761 -13.728 1.00 0.00 N ATOM 842 CZ ARG A 57 6.991 -4.132 -14.269 1.00 0.00 C ATOM 843 NH1 ARG A 57 5.936 -3.326 -14.236 1.00 0.00 N ATOM 844 NH2 ARG A 57 6.887 -5.320 -14.850 1.00 0.00 N ATOM 0 H ARG A 57 8.504 -2.806 -8.581 1.00 0.00 H new ATOM 0 HA ARG A 57 10.410 -1.158 -10.007 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.460 -1.801 -10.315 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.270 -0.632 -11.339 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.988 -2.679 -11.659 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.559 -3.609 -11.251 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.448 -1.910 -13.044 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.094 -1.891 -13.644 1.00 0.00 H new ATOM 0 HE ARG A 57 8.933 -4.416 -13.779 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.008 -2.410 -13.793 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.054 -3.623 -14.654 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.693 -5.945 -14.881 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.001 -5.609 -15.265 1.00 0.00 H new ATOM 858 N LYS A 58 9.262 1.210 -9.747 1.00 0.00 N ATOM 859 CA LYS A 58 8.952 2.553 -9.272 1.00 0.00 C ATOM 860 C LYS A 58 7.446 2.781 -9.306 1.00 0.00 C ATOM 861 O LYS A 58 6.861 3.302 -8.356 1.00 0.00 O ATOM 862 CB LYS A 58 9.663 3.599 -10.135 1.00 0.00 C ATOM 863 CG LYS A 58 10.060 4.855 -9.373 1.00 0.00 C ATOM 864 CD LYS A 58 9.160 6.033 -9.722 1.00 0.00 C ATOM 865 CE LYS A 58 8.474 6.596 -8.488 1.00 0.00 C ATOM 866 NZ LYS A 58 7.049 6.937 -8.750 1.00 0.00 N ATOM 0 H LYS A 58 9.651 1.173 -10.689 1.00 0.00 H new ATOM 0 HA LYS A 58 9.303 2.653 -8.245 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.557 3.151 -10.570 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.011 3.878 -10.963 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.008 4.662 -8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.095 5.108 -9.602 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.751 6.815 -10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.408 5.716 -10.445 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.530 5.868 -7.678 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.005 7.487 -8.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.618 7.317 -7.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.996 7.650 -9.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.536 6.082 -9.045 1.00 0.00 H new ATOM 880 N ARG A 59 6.826 2.377 -10.409 1.00 0.00 N ATOM 881 CA ARG A 59 5.386 2.522 -10.581 1.00 0.00 C ATOM 882 C ARG A 59 4.680 1.184 -10.383 1.00 0.00 C ATOM 883 O ARG A 59 5.256 0.127 -10.638 1.00 0.00 O ATOM 884 CB ARG A 59 5.076 3.084 -11.970 1.00 0.00 C ATOM 885 CG ARG A 59 5.796 4.391 -12.265 1.00 0.00 C ATOM 886 CD ARG A 59 6.373 4.413 -13.673 1.00 0.00 C ATOM 887 NE ARG A 59 7.363 3.354 -13.879 1.00 0.00 N ATOM 888 CZ ARG A 59 8.567 3.547 -14.417 1.00 0.00 C ATOM 889 NH1 ARG A 59 8.955 4.760 -14.798 1.00 0.00 N ATOM 890 NH2 ARG A 59 9.390 2.520 -14.574 1.00 0.00 N ATOM 0 H ARG A 59 7.301 1.944 -11.201 1.00 0.00 H new ATOM 0 HA ARG A 59 5.017 3.218 -9.827 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.354 2.346 -12.723 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.001 3.241 -12.059 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.103 5.223 -12.143 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.598 4.536 -11.541 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.566 4.300 -14.397 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.835 5.382 -13.860 1.00 0.00 H new ATOM 0 HE ARG A 59 7.115 2.407 -13.592 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.329 5.556 -14.680 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.879 4.894 -15.208 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.101 1.586 -14.283 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.312 2.664 -14.985 1.00 0.00 H new ATOM 904 N CYS A 60 3.435 1.232 -9.914 1.00 0.00 N ATOM 905 CA CYS A 60 2.666 0.018 -9.673 1.00 0.00 C ATOM 906 C CYS A 60 1.429 -0.045 -10.565 1.00 0.00 C ATOM 907 O CYS A 60 0.542 0.801 -10.478 1.00 0.00 O ATOM 908 CB CYS A 60 2.253 -0.058 -8.201 1.00 0.00 C ATOM 909 SG CYS A 60 2.696 -1.612 -7.390 1.00 0.00 S ATOM 0 H CYS A 60 2.940 2.097 -9.695 1.00 0.00 H new ATOM 0 HA CYS A 60 3.300 -0.834 -9.916 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.718 0.767 -7.661 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.174 0.082 -8.130 1.00 0.00 H new ATOM 0 HG CYS A 60 2.308 -1.580 -6.150 1.00 0.00 H new ATOM 915 N LYS A 61 1.372 -1.061 -11.415 1.00 0.00 N ATOM 916 CA LYS A 61 0.237 -1.241 -12.310 1.00 0.00 C ATOM 917 C LYS A 61 -0.759 -2.221 -11.700 1.00 0.00 C ATOM 918 O LYS A 61 -0.883 -3.360 -12.153 1.00 0.00 O ATOM 919 CB LYS A 61 0.708 -1.751 -13.671 1.00 0.00 C ATOM 920 CG LYS A 61 1.134 -0.648 -14.624 1.00 0.00 C ATOM 921 CD LYS A 61 0.869 -1.038 -16.069 1.00 0.00 C ATOM 922 CE LYS A 61 1.866 -0.388 -17.015 1.00 0.00 C ATOM 923 NZ LYS A 61 1.475 1.006 -17.358 1.00 0.00 N ATOM 0 H LYS A 61 2.097 -1.772 -11.504 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.253 -0.278 -12.450 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.545 -2.434 -13.523 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.096 -2.326 -14.131 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.595 0.269 -14.387 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.195 -0.438 -14.490 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.924 -2.122 -16.170 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.143 -0.743 -16.347 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.854 -0.386 -16.556 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.940 -0.980 -17.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.179 1.415 -18.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.543 1.002 -17.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.429 1.577 -16.490 1.00 0.00 H new ATOM 937 N ILE A 62 -1.453 -1.777 -10.657 1.00 0.00 N ATOM 938 CA ILE A 62 -2.421 -2.623 -9.968 1.00 0.00 C ATOM 939 C ILE A 62 -3.714 -1.869 -9.663 1.00 0.00 C ATOM 940 O ILE A 62 -3.700 -0.664 -9.408 1.00 0.00 O ATOM 941 CB ILE A 62 -1.832 -3.161 -8.650 1.00 0.00 C ATOM 942 CG1 ILE A 62 -0.500 -3.868 -8.910 1.00 0.00 C ATOM 943 CG2 ILE A 62 -2.812 -4.107 -7.969 1.00 0.00 C ATOM 944 CD1 ILE A 62 0.364 -4.002 -7.676 1.00 0.00 C ATOM 0 H ILE A 62 -1.363 -0.837 -10.271 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.650 -3.453 -10.636 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.653 -2.316 -7.985 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.698 -4.861 -9.315 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.052 -3.317 -9.672 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.376 -4.475 -7.040 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.738 -3.576 -7.750 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.024 -4.948 -8.629 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.292 -4.512 -7.935 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.592 -3.012 -7.283 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.169 -4.579 -6.920 1.00 0.00 H new ATOM 956 N VAL A 63 -4.827 -2.596 -9.683 1.00 0.00 N ATOM 957 CA VAL A 63 -6.136 -2.015 -9.401 1.00 0.00 C ATOM 958 C VAL A 63 -7.084 -3.067 -8.832 1.00 0.00 C ATOM 959 O VAL A 63 -6.745 -4.248 -8.762 1.00 0.00 O ATOM 960 CB VAL A 63 -6.789 -1.398 -10.658 1.00 0.00 C ATOM 961 CG1 VAL A 63 -6.436 0.074 -10.769 1.00 0.00 C ATOM 962 CG2 VAL A 63 -6.391 -2.153 -11.923 1.00 0.00 C ATOM 0 H VAL A 63 -4.848 -3.594 -9.893 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.967 -1.223 -8.671 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.870 -1.487 -10.553 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.904 0.494 -11.660 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.797 0.602 -9.886 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.354 0.184 -10.841 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.868 -1.692 -12.787 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.308 -2.116 -12.044 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.712 -3.192 -11.843 1.00 0.00 H new ATOM 972 N ALA A 64 -8.281 -2.632 -8.441 1.00 0.00 N ATOM 973 CA ALA A 64 -9.295 -3.534 -7.895 1.00 0.00 C ATOM 974 C ALA A 64 -9.009 -3.899 -6.435 1.00 0.00 C ATOM 975 O ALA A 64 -8.443 -3.102 -5.686 1.00 0.00 O ATOM 976 CB ALA A 64 -9.405 -4.788 -8.756 1.00 0.00 C ATOM 0 H ALA A 64 -8.573 -1.656 -8.492 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.250 -3.009 -7.913 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.163 -5.451 -8.338 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.687 -4.509 -9.771 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.444 -5.302 -8.774 1.00 0.00 H new ATOM 982 N GLY A 65 -9.414 -5.106 -6.037 1.00 0.00 N ATOM 983 CA GLY A 65 -9.207 -5.558 -4.677 1.00 0.00 C ATOM 984 C GLY A 65 -7.837 -6.166 -4.469 1.00 0.00 C ATOM 985 O GLY A 65 -7.689 -7.387 -4.442 1.00 0.00 O ATOM 0 H GLY A 65 -9.885 -5.780 -6.641 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.335 -4.717 -3.995 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.970 -6.294 -4.422 1.00 0.00 H new ATOM 989 N GLN A 66 -6.833 -5.311 -4.337 1.00 0.00 N ATOM 990 CA GLN A 66 -5.460 -5.770 -4.145 1.00 0.00 C ATOM 991 C GLN A 66 -4.874 -5.224 -2.843 1.00 0.00 C ATOM 992 O GLN A 66 -5.330 -4.209 -2.318 1.00 0.00 O ATOM 993 CB GLN A 66 -4.595 -5.349 -5.333 1.00 0.00 C ATOM 994 CG GLN A 66 -4.850 -6.172 -6.587 1.00 0.00 C ATOM 995 CD GLN A 66 -3.893 -7.340 -6.725 1.00 0.00 C ATOM 996 OE1 GLN A 66 -2.748 -7.275 -6.275 1.00 0.00 O ATOM 997 NE2 GLN A 66 -4.357 -8.415 -7.350 1.00 0.00 N ATOM 0 H GLN A 66 -6.940 -4.297 -4.359 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.470 -6.858 -4.080 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.780 -4.298 -5.553 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.544 -5.437 -5.057 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.874 -6.546 -6.569 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.761 -5.529 -7.463 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.313 -8.425 -7.707 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.758 -9.231 -7.474 1.00 0.00 H new ATOM 1006 N THR A 67 -3.880 -5.935 -2.314 1.00 0.00 N ATOM 1007 CA THR A 67 -3.241 -5.562 -1.052 1.00 0.00 C ATOM 1008 C THR A 67 -1.760 -5.215 -1.223 1.00 0.00 C ATOM 1009 O THR A 67 -1.092 -5.709 -2.132 1.00 0.00 O ATOM 1010 CB THR A 67 -3.388 -6.711 -0.049 1.00 0.00 C ATOM 1011 OG1 THR A 67 -4.750 -7.054 0.124 1.00 0.00 O ATOM 1012 CG2 THR A 67 -2.814 -6.407 1.318 1.00 0.00 C ATOM 0 H THR A 67 -3.497 -6.778 -2.742 1.00 0.00 H new ATOM 0 HA THR A 67 -3.741 -4.666 -0.684 1.00 0.00 H new ATOM 0 HB THR A 67 -2.821 -7.536 -0.481 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.823 -7.790 0.767 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.956 -7.267 1.972 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.749 -6.193 1.226 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.323 -5.541 1.742 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.260 -4.365 -0.324 1.00 0.00 N ATOM 1021 CA VAL A 68 0.138 -3.939 -0.334 1.00 0.00 C ATOM 1022 C VAL A 68 0.755 -4.159 1.054 1.00 0.00 C ATOM 1023 O VAL A 68 0.069 -4.023 2.066 1.00 0.00 O ATOM 1024 CB VAL A 68 0.256 -2.447 -0.775 1.00 0.00 C ATOM 1025 CG1 VAL A 68 1.018 -1.581 0.232 1.00 0.00 C ATOM 1026 CG2 VAL A 68 0.906 -2.354 -2.149 1.00 0.00 C ATOM 0 H VAL A 68 -1.812 -3.954 0.429 1.00 0.00 H new ATOM 0 HA VAL A 68 0.689 -4.539 -1.058 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.759 -2.053 -0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.065 -0.555 -0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.503 -1.601 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.029 -1.970 0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.983 -1.308 -2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.902 -2.794 -2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.299 -2.893 -2.876 1.00 0.00 H new ATOM 1036 N SER A 69 2.043 -4.512 1.103 1.00 0.00 N ATOM 1037 CA SER A 69 2.706 -4.759 2.385 1.00 0.00 C ATOM 1038 C SER A 69 4.159 -4.272 2.398 1.00 0.00 C ATOM 1039 O SER A 69 4.921 -4.501 1.449 1.00 0.00 O ATOM 1040 CB SER A 69 2.657 -6.251 2.724 1.00 0.00 C ATOM 1041 OG SER A 69 1.363 -6.634 3.153 1.00 0.00 O ATOM 0 H SER A 69 2.639 -4.631 0.284 1.00 0.00 H new ATOM 0 HA SER A 69 2.164 -4.188 3.140 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.941 -6.835 1.849 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.383 -6.474 3.506 1.00 0.00 H new ATOM 0 HG SER A 69 0.747 -5.879 3.049 1.00 0.00 H new ATOM 1047 N PHE A 70 4.528 -3.610 3.501 1.00 0.00 N ATOM 1048 CA PHE A 70 5.881 -3.083 3.699 1.00 0.00 C ATOM 1049 C PHE A 70 6.243 -3.104 5.182 1.00 0.00 C ATOM 1050 O PHE A 70 5.533 -2.528 6.005 1.00 0.00 O ATOM 1051 CB PHE A 70 5.983 -1.649 3.168 1.00 0.00 C ATOM 1052 CG PHE A 70 7.280 -0.951 3.492 1.00 0.00 C ATOM 1053 CD1 PHE A 70 8.441 -1.668 3.736 1.00 0.00 C ATOM 1054 CD2 PHE A 70 7.330 0.433 3.556 1.00 0.00 C ATOM 1055 CE1 PHE A 70 9.624 -1.020 4.035 1.00 0.00 C ATOM 1056 CE2 PHE A 70 8.510 1.087 3.855 1.00 0.00 C ATOM 1057 CZ PHE A 70 9.659 0.359 4.096 1.00 0.00 C ATOM 0 H PHE A 70 3.896 -3.425 4.280 1.00 0.00 H new ATOM 0 HA PHE A 70 6.578 -3.715 3.148 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.855 -1.666 2.086 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.159 -1.064 3.577 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.421 -2.747 3.692 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.435 1.008 3.370 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.521 -1.592 4.221 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.534 2.166 3.900 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.582 0.867 4.332 1.00 0.00 H new ATOM 1067 N ALA A 71 7.351 -3.762 5.517 1.00 0.00 N ATOM 1068 CA ALA A 71 7.803 -3.849 6.903 1.00 0.00 C ATOM 1069 C ALA A 71 6.686 -4.344 7.823 1.00 0.00 C ATOM 1070 O ALA A 71 6.589 -5.538 8.105 1.00 0.00 O ATOM 1071 CB ALA A 71 8.329 -2.496 7.371 1.00 0.00 C ATOM 0 H ALA A 71 7.952 -4.242 4.847 1.00 0.00 H new ATOM 0 HA ALA A 71 8.614 -4.576 6.950 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.663 -2.574 8.406 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.166 -2.193 6.741 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.535 -1.753 7.301 1.00 0.00 H new ATOM 1077 N GLY A 72 5.844 -3.423 8.284 1.00 0.00 N ATOM 1078 CA GLY A 72 4.747 -3.788 9.159 1.00 0.00 C ATOM 1079 C GLY A 72 3.416 -3.229 8.704 1.00 0.00 C ATOM 1080 O GLY A 72 2.385 -3.496 9.322 1.00 0.00 O ATOM 0 H GLY A 72 5.904 -2.428 8.066 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.679 -4.875 9.213 1.00 0.00 H new ATOM 0 HA3 GLY A 72 4.959 -3.431 10.167 1.00 0.00 H new ATOM 1084 N HIS A 73 3.428 -2.443 7.633 1.00 0.00 N ATOM 1085 CA HIS A 73 2.204 -1.845 7.128 1.00 0.00 C ATOM 1086 C HIS A 73 1.558 -2.718 6.053 1.00 0.00 C ATOM 1087 O HIS A 73 2.057 -2.811 4.932 1.00 0.00 O ATOM 1088 CB HIS A 73 2.486 -0.453 6.558 1.00 0.00 C ATOM 1089 CG HIS A 73 3.317 0.413 7.455 1.00 0.00 C ATOM 1090 ND1 HIS A 73 3.579 0.103 8.772 1.00 0.00 N ATOM 1091 CD2 HIS A 73 3.950 1.588 7.215 1.00 0.00 C ATOM 1092 CE1 HIS A 73 4.334 1.046 9.306 1.00 0.00 C ATOM 1093 NE2 HIS A 73 4.574 1.959 8.382 1.00 0.00 N ATOM 0 H HIS A 73 4.267 -2.208 7.103 1.00 0.00 H new ATOM 0 HA HIS A 73 1.510 -1.761 7.965 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.994 -0.560 5.600 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.538 0.048 6.362 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.962 2.131 6.281 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.694 1.067 10.324 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.132 2.803 8.513 1.00 0.00 H new ATOM 1101 N SER A 74 0.438 -3.345 6.400 1.00 0.00 N ATOM 1102 CA SER A 74 -0.287 -4.199 5.463 1.00 0.00 C ATOM 1103 C SER A 74 -1.702 -3.669 5.248 1.00 0.00 C ATOM 1104 O SER A 74 -2.575 -3.845 6.096 1.00 0.00 O ATOM 1105 CB SER A 74 -0.335 -5.638 5.979 1.00 0.00 C ATOM 1106 OG SER A 74 0.744 -5.904 6.856 1.00 0.00 O ATOM 0 H SER A 74 0.012 -3.278 7.324 1.00 0.00 H new ATOM 0 HA SER A 74 0.239 -4.189 4.509 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.279 -5.810 6.497 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.302 -6.330 5.138 1.00 0.00 H new ATOM 0 HG SER A 74 0.688 -6.830 7.172 1.00 0.00 H new ATOM 1112 N VAL A 75 -1.917 -3.010 4.113 1.00 0.00 N ATOM 1113 CA VAL A 75 -3.222 -2.442 3.793 1.00 0.00 C ATOM 1114 C VAL A 75 -3.727 -2.938 2.444 1.00 0.00 C ATOM 1115 O VAL A 75 -2.940 -3.261 1.555 1.00 0.00 O ATOM 1116 CB VAL A 75 -3.162 -0.903 3.767 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -4.507 -0.309 3.398 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -2.679 -0.364 5.106 1.00 0.00 C ATOM 0 H VAL A 75 -1.204 -2.856 3.400 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.910 -2.767 4.574 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.447 -0.606 3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.434 0.779 3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.802 -0.662 2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.253 -0.616 4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.643 0.725 5.068 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.365 -0.677 5.893 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.683 -0.753 5.317 1.00 0.00 H new ATOM 1128 N GLN A 76 -5.047 -2.987 2.298 1.00 0.00 N ATOM 1129 CA GLN A 76 -5.662 -3.440 1.057 1.00 0.00 C ATOM 1130 C GLN A 76 -6.392 -2.297 0.360 1.00 0.00 C ATOM 1131 O GLN A 76 -6.720 -1.285 0.979 1.00 0.00 O ATOM 1132 CB GLN A 76 -6.639 -4.587 1.329 1.00 0.00 C ATOM 1133 CG GLN A 76 -6.186 -5.535 2.428 1.00 0.00 C ATOM 1134 CD GLN A 76 -7.282 -6.493 2.853 1.00 0.00 C ATOM 1135 OE1 GLN A 76 -7.540 -7.494 2.185 1.00 0.00 O ATOM 1136 NE2 GLN A 76 -7.933 -6.188 3.969 1.00 0.00 N ATOM 0 H GLN A 76 -5.711 -2.718 3.024 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.867 -3.796 0.402 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.608 -4.169 1.600 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.783 -5.155 0.410 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.324 -6.104 2.080 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.858 -4.956 3.291 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.685 -5.347 4.491 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.681 -6.794 4.305 1.00 0.00 H new ATOM 1145 N VAL A 77 -6.640 -2.472 -0.933 1.00 0.00 N ATOM 1146 CA VAL A 77 -7.331 -1.466 -1.730 1.00 0.00 C ATOM 1147 C VAL A 77 -8.453 -2.104 -2.538 1.00 0.00 C ATOM 1148 O VAL A 77 -8.356 -3.263 -2.932 1.00 0.00 O ATOM 1149 CB VAL A 77 -6.363 -0.755 -2.695 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -7.052 0.417 -3.378 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -5.111 -0.297 -1.958 1.00 0.00 C ATOM 0 H VAL A 77 -6.371 -3.307 -1.454 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.745 -0.732 -1.039 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.061 -1.465 -3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.352 0.906 -4.055 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.911 0.055 -3.943 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.387 1.131 -2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.440 0.203 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.389 0.396 -1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.607 -1.161 -1.526 1.00 0.00 H new ATOM 1161 N VAL A 78 -9.519 -1.348 -2.779 1.00 0.00 N ATOM 1162 CA VAL A 78 -10.656 -1.858 -3.538 1.00 0.00 C ATOM 1163 C VAL A 78 -11.213 -0.802 -4.488 1.00 0.00 C ATOM 1164 O VAL A 78 -10.813 0.363 -4.441 1.00 0.00 O ATOM 1165 CB VAL A 78 -11.782 -2.337 -2.604 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -11.304 -3.498 -1.743 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -12.280 -1.191 -1.737 1.00 0.00 C ATOM 0 H VAL A 78 -9.620 -0.384 -2.461 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.289 -2.703 -4.121 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.613 -2.687 -3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.113 -3.823 -1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.000 -4.326 -2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.456 -3.177 -1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.076 -1.548 -1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.458 -0.808 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.664 -0.394 -2.373 1.00 0.00 H new ATOM 1177 N ALA A 79 -12.138 -1.217 -5.347 1.00 0.00 N ATOM 1178 CA ALA A 79 -12.754 -0.310 -6.309 1.00 0.00 C ATOM 1179 C ALA A 79 -13.772 0.602 -5.629 1.00 0.00 C ATOM 1180 O ALA A 79 -14.870 0.795 -6.193 1.00 0.00 O ATOM 1181 CB ALA A 79 -13.409 -1.103 -7.432 1.00 0.00 C ATOM 1182 OXT ALA A 79 -13.462 1.118 -4.534 1.00 0.00 O ATOM 0 H ALA A 79 -12.478 -2.177 -5.397 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.973 0.321 -6.734 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.866 -0.416 -8.144 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.655 -1.705 -7.940 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -14.176 -1.757 -7.016 1.00 0.00 H new