USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 522 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 13 HIS : no HE2:sc= -0.749 K(o=0.68,f=-0.0076) USER MOD Set 1.2: A 17 CYS SG : rot -60:sc= 0.287 USER MOD Set 1.3: A 69 TYR OH : rot -7:sc= 1.15 USER MOD Set 2.1: A 3 SER OG : rot -131:sc= 0.935 USER MOD Set 2.2: A 47 TYR OH : rot 180:sc= 0.083 USER MOD Single : A 4 THR OG1 : rot -3:sc= 0.608 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 170:sc= -0.204 (180deg=-0.708) USER MOD Single : A 14 CYS SG : rot 43:sc= 0.406 USER MOD Single : A 15 LYS NZ :NH3+ -114:sc= 0.904 (180deg=0.104) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0115 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0383 X(o=-0.038,f=-0.076) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 85:sc=-0.00533 USER MOD Single : A 26 SER OG : rot -44:sc= 0.903 USER MOD Single : A 29 GLN : amide:sc= 0.255 X(o=0.25,f=0) USER MOD Single : A 30 TYR OH : rot 54:sc=-0.00196 USER MOD Single : A 32 SER OG : rot -42:sc= 0.0839 USER MOD Single : A 33 SER OG : rot 66:sc= 1.25 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.992 K(o=0.99,f=-0.012) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0244 USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= 1.18 (180deg=1.09) USER MOD Single : A 65 SER OG : rot 117:sc= 1.56 USER MOD Single : A 72 SER OG : rot 69:sc= 0.0908 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -11.287 -11.867 -6.390 1.00 0.00 N ATOM 16 CA ASP A 2 -10.460 -10.910 -5.681 1.00 0.00 C ATOM 17 C ASP A 2 -10.353 -9.576 -6.437 1.00 0.00 C ATOM 18 O ASP A 2 -10.736 -9.448 -7.599 1.00 0.00 O ATOM 19 CB ASP A 2 -9.063 -11.545 -5.473 1.00 0.00 C ATOM 20 CG ASP A 2 -8.416 -12.146 -6.743 1.00 0.00 C ATOM 21 OD1 ASP A 2 -9.071 -13.003 -7.394 1.00 0.00 O ATOM 22 OD2 ASP A 2 -7.260 -11.774 -7.032 1.00 0.00 O ATOM 0 HA ASP A 2 -10.916 -10.680 -4.718 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.393 -10.786 -5.068 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.147 -12.330 -4.721 1.00 0.00 H new ATOM 27 N SER A 3 -9.820 -8.567 -5.755 1.00 0.00 N ATOM 28 CA SER A 3 -9.495 -7.263 -6.315 1.00 0.00 C ATOM 29 C SER A 3 -8.027 -6.918 -6.031 1.00 0.00 C ATOM 30 O SER A 3 -7.338 -7.580 -5.249 1.00 0.00 O ATOM 31 CB SER A 3 -10.432 -6.208 -5.711 1.00 0.00 C ATOM 32 OG SER A 3 -10.348 -4.958 -6.376 1.00 0.00 O ATOM 0 H SER A 3 -9.595 -8.639 -4.763 1.00 0.00 H new ATOM 0 HA SER A 3 -9.633 -7.282 -7.396 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.459 -6.571 -5.756 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.188 -6.072 -4.657 1.00 0.00 H new ATOM 0 HG SER A 3 -10.245 -4.242 -5.715 1.00 0.00 H new ATOM 38 N THR A 4 -7.554 -5.831 -6.635 1.00 0.00 N ATOM 39 CA THR A 4 -6.217 -5.276 -6.404 1.00 0.00 C ATOM 40 C THR A 4 -6.214 -3.782 -6.656 1.00 0.00 C ATOM 41 O THR A 4 -7.140 -3.241 -7.260 1.00 0.00 O ATOM 42 CB THR A 4 -5.137 -6.014 -7.217 1.00 0.00 C ATOM 43 OG1 THR A 4 -3.970 -6.042 -6.440 1.00 0.00 O ATOM 44 CG2 THR A 4 -4.705 -5.358 -8.526 1.00 0.00 C ATOM 0 H THR A 4 -8.098 -5.298 -7.313 1.00 0.00 H new ATOM 0 HA THR A 4 -5.960 -5.434 -5.357 1.00 0.00 H new ATOM 0 HB THR A 4 -5.586 -6.977 -7.460 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.119 -5.547 -5.607 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.942 -5.971 -9.006 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.566 -5.266 -9.188 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.298 -4.368 -8.320 1.00 0.00 H new ATOM 52 N ALA A 5 -5.144 -3.130 -6.215 1.00 0.00 N ATOM 53 CA ALA A 5 -4.830 -1.736 -6.485 1.00 0.00 C ATOM 54 C ALA A 5 -3.326 -1.470 -6.315 1.00 0.00 C ATOM 55 O ALA A 5 -2.621 -2.223 -5.624 1.00 0.00 O ATOM 56 CB ALA A 5 -5.678 -0.848 -5.568 1.00 0.00 C ATOM 0 H ALA A 5 -4.440 -3.583 -5.632 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.072 -1.497 -7.521 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.449 0.200 -5.763 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.735 -1.031 -5.761 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.453 -1.081 -4.527 1.00 0.00 H new ATOM 62 N THR A 6 -2.868 -0.380 -6.945 1.00 0.00 N ATOM 63 CA THR A 6 -1.468 0.051 -6.981 1.00 0.00 C ATOM 64 C THR A 6 -1.340 1.462 -6.445 1.00 0.00 C ATOM 65 O THR A 6 -2.092 2.359 -6.824 1.00 0.00 O ATOM 66 CB THR A 6 -0.903 0.020 -8.397 1.00 0.00 C ATOM 67 OG1 THR A 6 -1.143 -1.245 -8.964 1.00 0.00 O ATOM 68 CG2 THR A 6 0.604 0.273 -8.405 1.00 0.00 C ATOM 0 H THR A 6 -3.486 0.247 -7.461 1.00 0.00 H new ATOM 0 HA THR A 6 -0.904 -0.645 -6.360 1.00 0.00 H new ATOM 0 HB THR A 6 -1.394 0.806 -8.971 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.783 -1.269 -9.875 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.972 0.244 -9.430 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.811 1.252 -7.973 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.105 -0.496 -7.817 1.00 0.00 H new ATOM 76 N PHE A 7 -0.334 1.641 -5.598 1.00 0.00 N ATOM 77 CA PHE A 7 -0.077 2.869 -4.861 1.00 0.00 C ATOM 78 C PHE A 7 1.415 3.205 -4.839 1.00 0.00 C ATOM 79 O PHE A 7 2.271 2.321 -4.771 1.00 0.00 O ATOM 80 CB PHE A 7 -0.602 2.761 -3.423 1.00 0.00 C ATOM 81 CG PHE A 7 -2.003 2.189 -3.261 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.230 0.793 -3.304 1.00 0.00 C ATOM 83 CD2 PHE A 7 -3.101 3.057 -3.087 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.528 0.286 -3.252 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.402 2.536 -3.025 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.618 1.156 -3.126 1.00 0.00 C ATOM 0 H PHE A 7 0.348 0.909 -5.399 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.605 3.672 -5.375 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.089 2.142 -2.851 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.584 3.755 -2.976 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.392 0.115 -3.378 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.940 4.122 -3.002 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.693 -0.780 -3.309 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.242 3.203 -2.899 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.624 0.763 -3.107 1.00 0.00 H new ATOM 96 N ILE A 8 1.733 4.497 -4.847 1.00 0.00 N ATOM 97 CA ILE A 8 3.094 5.022 -4.906 1.00 0.00 C ATOM 98 C ILE A 8 3.335 6.123 -3.871 1.00 0.00 C ATOM 99 O ILE A 8 2.484 6.985 -3.659 1.00 0.00 O ATOM 100 CB ILE A 8 3.385 5.444 -6.356 1.00 0.00 C ATOM 101 CG1 ILE A 8 4.907 5.583 -6.507 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.637 6.709 -6.811 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.390 5.385 -7.942 1.00 0.00 C ATOM 0 H ILE A 8 1.026 5.232 -4.811 1.00 0.00 H new ATOM 0 HA ILE A 8 3.809 4.247 -4.630 1.00 0.00 H new ATOM 0 HB ILE A 8 3.002 4.670 -7.021 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.211 6.571 -6.161 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.398 4.854 -5.862 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.900 6.935 -7.844 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.562 6.542 -6.738 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.918 7.547 -6.173 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.474 5.496 -7.980 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.115 4.387 -8.284 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.926 6.130 -8.588 1.00 0.00 H new ATOM 115 N ILE A 9 4.483 6.053 -3.194 1.00 0.00 N ATOM 116 CA ILE A 9 4.812 6.829 -2.001 1.00 0.00 C ATOM 117 C ILE A 9 6.068 7.705 -2.215 1.00 0.00 C ATOM 118 O ILE A 9 7.187 7.208 -2.135 1.00 0.00 O ATOM 119 CB ILE A 9 5.079 5.840 -0.830 1.00 0.00 C ATOM 120 CG1 ILE A 9 3.987 4.815 -0.449 1.00 0.00 C ATOM 121 CG2 ILE A 9 5.357 6.648 0.449 1.00 0.00 C ATOM 122 CD1 ILE A 9 3.656 3.684 -1.417 1.00 0.00 C ATOM 0 H ILE A 9 5.238 5.428 -3.475 1.00 0.00 H new ATOM 0 HA ILE A 9 3.975 7.491 -1.778 1.00 0.00 H new ATOM 0 HB ILE A 9 5.908 5.248 -1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.280 4.361 0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.067 5.369 -0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.546 5.965 1.277 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.230 7.283 0.296 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.493 7.270 0.682 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.870 3.060 -0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.315 4.103 -2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.547 3.079 -1.588 1.00 0.00 H new ATOM 134 N ASP A 10 5.948 9.027 -2.366 1.00 0.00 N ATOM 135 CA ASP A 10 7.135 9.911 -2.471 1.00 0.00 C ATOM 136 C ASP A 10 7.885 10.183 -1.150 1.00 0.00 C ATOM 137 O ASP A 10 8.943 10.808 -1.133 1.00 0.00 O ATOM 138 CB ASP A 10 6.757 11.250 -3.118 1.00 0.00 C ATOM 139 CG ASP A 10 7.944 12.037 -3.689 1.00 0.00 C ATOM 140 OD1 ASP A 10 8.955 11.402 -4.082 1.00 0.00 O ATOM 141 OD2 ASP A 10 7.798 13.282 -3.694 1.00 0.00 O ATOM 0 H ASP A 10 5.054 9.515 -2.419 1.00 0.00 H new ATOM 0 HA ASP A 10 7.829 9.350 -3.097 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.042 11.063 -3.919 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.251 11.868 -2.376 1.00 0.00 H new ATOM 146 N GLY A 11 7.363 9.676 -0.036 1.00 0.00 N ATOM 147 CA GLY A 11 7.903 9.899 1.317 1.00 0.00 C ATOM 148 C GLY A 11 8.642 8.676 1.837 1.00 0.00 C ATOM 149 O GLY A 11 9.017 8.593 2.999 1.00 0.00 O ATOM 0 H GLY A 11 6.533 9.083 -0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.579 10.754 1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.089 10.148 1.997 1.00 0.00 H new ATOM 153 N MET A 12 8.790 7.675 0.975 1.00 0.00 N ATOM 154 CA MET A 12 9.265 6.364 1.356 1.00 0.00 C ATOM 155 C MET A 12 10.774 6.391 1.542 1.00 0.00 C ATOM 156 O MET A 12 11.498 6.762 0.617 1.00 0.00 O ATOM 157 CB MET A 12 8.856 5.363 0.266 1.00 0.00 C ATOM 158 CG MET A 12 8.177 4.150 0.848 1.00 0.00 C ATOM 159 SD MET A 12 7.815 2.820 -0.321 1.00 0.00 S ATOM 160 CE MET A 12 9.477 2.187 -0.650 1.00 0.00 C ATOM 0 H MET A 12 8.579 7.760 -0.019 1.00 0.00 H new ATOM 0 HA MET A 12 8.822 6.060 2.305 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.186 5.850 -0.442 1.00 0.00 H new ATOM 0 HB3 MET A 12 9.739 5.053 -0.293 1.00 0.00 H new ATOM 0 HG2 MET A 12 8.807 3.750 1.642 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.242 4.466 1.311 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.407 1.255 -1.211 1.00 0.00 H new ATOM 0 HE2 MET A 12 10.037 2.920 -1.231 1.00 0.00 H new ATOM 0 HE3 MET A 12 9.990 2.004 0.294 1.00 0.00 H new ATOM 170 N HIS A 13 11.245 5.851 2.667 1.00 0.00 N ATOM 171 CA HIS A 13 12.666 5.610 2.972 1.00 0.00 C ATOM 172 C HIS A 13 13.333 4.567 2.037 1.00 0.00 C ATOM 173 O HIS A 13 14.438 4.101 2.304 1.00 0.00 O ATOM 174 CB HIS A 13 12.820 5.189 4.441 1.00 0.00 C ATOM 175 CG HIS A 13 12.293 6.143 5.497 1.00 0.00 C ATOM 176 ND1 HIS A 13 12.328 5.919 6.858 1.00 0.00 N ATOM 177 CD2 HIS A 13 11.670 7.353 5.319 1.00 0.00 C ATOM 178 CE1 HIS A 13 11.738 6.954 7.474 1.00 0.00 C ATOM 179 NE2 HIS A 13 11.321 7.850 6.573 1.00 0.00 N ATOM 0 H HIS A 13 10.627 5.556 3.423 1.00 0.00 H new ATOM 0 HA HIS A 13 13.188 6.551 2.796 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.318 4.230 4.572 1.00 0.00 H new ATOM 0 HB3 HIS A 13 13.880 5.023 4.635 1.00 0.00 H new ATOM 0 HD1 HIS A 13 12.734 5.104 7.318 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.483 7.836 4.371 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.617 7.050 8.543 1.00 0.00 H new ATOM 187 N CYS A 14 12.621 4.111 0.999 1.00 0.00 N ATOM 188 CA CYS A 14 13.123 3.388 -0.180 1.00 0.00 C ATOM 189 C CYS A 14 13.463 1.916 0.016 1.00 0.00 C ATOM 190 O CYS A 14 13.214 1.142 -0.895 1.00 0.00 O ATOM 191 CB CYS A 14 14.325 4.132 -0.777 1.00 0.00 C ATOM 192 SG CYS A 14 13.724 5.637 -1.591 1.00 0.00 S ATOM 0 H CYS A 14 11.611 4.246 0.956 1.00 0.00 H new ATOM 0 HA CYS A 14 12.277 3.375 -0.868 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.041 4.385 0.005 1.00 0.00 H new ATOM 0 HB3 CYS A 14 14.846 3.497 -1.493 1.00 0.00 H new ATOM 0 HG CYS A 14 12.827 6.207 -0.842 1.00 0.00 H new ATOM 198 N LYS A 15 14.069 1.528 1.134 1.00 0.00 N ATOM 199 CA LYS A 15 14.360 0.125 1.449 1.00 0.00 C ATOM 200 C LYS A 15 13.547 -0.257 2.694 1.00 0.00 C ATOM 201 O LYS A 15 12.408 -0.680 2.539 1.00 0.00 O ATOM 202 CB LYS A 15 15.885 -0.106 1.493 1.00 0.00 C ATOM 203 CG LYS A 15 16.406 -0.662 0.146 1.00 0.00 C ATOM 204 CD LYS A 15 16.418 0.364 -1.007 1.00 0.00 C ATOM 205 CE LYS A 15 15.882 -0.172 -2.349 1.00 0.00 C ATOM 206 NZ LYS A 15 15.143 0.874 -3.111 1.00 0.00 N ATOM 0 H LYS A 15 14.376 2.180 1.855 1.00 0.00 H new ATOM 0 HA LYS A 15 14.036 -0.568 0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.391 0.832 1.722 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.127 -0.803 2.295 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.418 -1.040 0.290 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.788 -1.511 -0.146 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.823 1.229 -0.713 1.00 0.00 H new ATOM 0 HD3 LYS A 15 17.440 0.715 -1.153 1.00 0.00 H new ATOM 0 HE2 LYS A 15 16.713 -0.540 -2.951 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.223 -1.020 -2.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.139 0.610 -3.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.229 1.787 -2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.544 0.956 -4.067 1.00 0.00 H new ATOM 220 N SER A 16 14.011 -0.011 3.916 1.00 0.00 N ATOM 221 CA SER A 16 13.309 -0.418 5.154 1.00 0.00 C ATOM 222 C SER A 16 11.833 0.016 5.264 1.00 0.00 C ATOM 223 O SER A 16 11.058 -0.725 5.859 1.00 0.00 O ATOM 224 CB SER A 16 14.072 0.088 6.385 1.00 0.00 C ATOM 225 OG SER A 16 15.465 -0.153 6.243 1.00 0.00 O ATOM 0 H SER A 16 14.889 0.479 4.088 1.00 0.00 H new ATOM 0 HA SER A 16 13.291 -1.507 5.108 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.894 1.155 6.517 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.700 -0.410 7.280 1.00 0.00 H new ATOM 0 HG SER A 16 15.937 0.177 7.036 1.00 0.00 H new ATOM 231 N CYS A 17 11.403 1.125 4.633 1.00 0.00 N ATOM 232 CA CYS A 17 9.982 1.480 4.512 1.00 0.00 C ATOM 233 C CYS A 17 9.124 0.334 3.967 1.00 0.00 C ATOM 234 O CYS A 17 8.049 0.123 4.509 1.00 0.00 O ATOM 235 CB CYS A 17 9.791 2.809 3.748 1.00 0.00 C ATOM 236 SG CYS A 17 9.699 4.162 4.955 1.00 0.00 S ATOM 0 H CYS A 17 12.032 1.797 4.194 1.00 0.00 H new ATOM 0 HA CYS A 17 9.610 1.650 5.522 1.00 0.00 H new ATOM 0 HB2 CYS A 17 10.620 2.972 3.059 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.881 2.774 3.149 1.00 0.00 H new ATOM 0 HG CYS A 17 8.692 3.964 5.753 1.00 0.00 H new ATOM 242 N VAL A 18 9.600 -0.441 2.997 1.00 0.00 N ATOM 243 CA VAL A 18 8.882 -1.556 2.385 1.00 0.00 C ATOM 244 C VAL A 18 8.443 -2.605 3.402 1.00 0.00 C ATOM 245 O VAL A 18 7.298 -3.035 3.354 1.00 0.00 O ATOM 246 CB VAL A 18 9.797 -2.158 1.307 1.00 0.00 C ATOM 247 CG1 VAL A 18 9.368 -3.559 0.855 1.00 0.00 C ATOM 248 CG2 VAL A 18 9.910 -1.093 0.195 1.00 0.00 C ATOM 0 H VAL A 18 10.530 -0.305 2.601 1.00 0.00 H new ATOM 0 HA VAL A 18 7.957 -1.190 1.940 1.00 0.00 H new ATOM 0 HB VAL A 18 10.793 -2.367 1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.058 -3.923 0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.380 -4.236 1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.361 -3.515 0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.552 -1.467 -0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.919 -0.879 -0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.339 -0.180 0.608 1.00 0.00 H new ATOM 258 N SER A 19 9.305 -2.950 4.358 1.00 0.00 N ATOM 259 CA SER A 19 8.975 -3.932 5.400 1.00 0.00 C ATOM 260 C SER A 19 7.768 -3.484 6.229 1.00 0.00 C ATOM 261 O SER A 19 6.873 -4.272 6.524 1.00 0.00 O ATOM 262 CB SER A 19 10.196 -4.058 6.318 1.00 0.00 C ATOM 263 OG SER A 19 10.112 -5.197 7.153 1.00 0.00 O ATOM 0 H SER A 19 10.245 -2.562 4.435 1.00 0.00 H new ATOM 0 HA SER A 19 8.723 -4.884 4.933 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.101 -4.117 5.713 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.282 -3.162 6.933 1.00 0.00 H new ATOM 0 HG SER A 19 10.908 -5.245 7.722 1.00 0.00 H new ATOM 269 N ASN A 20 7.704 -2.190 6.548 1.00 0.00 N ATOM 270 CA ASN A 20 6.567 -1.610 7.255 1.00 0.00 C ATOM 271 C ASN A 20 5.298 -1.647 6.405 1.00 0.00 C ATOM 272 O ASN A 20 4.231 -1.979 6.904 1.00 0.00 O ATOM 273 CB ASN A 20 6.863 -0.152 7.570 1.00 0.00 C ATOM 274 CG ASN A 20 8.147 0.069 8.348 1.00 0.00 C ATOM 275 OD1 ASN A 20 8.570 -0.716 9.179 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.819 1.160 8.053 1.00 0.00 N ATOM 0 H ASN A 20 8.438 -1.518 6.323 1.00 0.00 H new ATOM 0 HA ASN A 20 6.411 -2.194 8.162 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.917 0.406 6.635 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.031 0.261 8.140 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.704 1.356 8.521 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.456 1.810 7.356 1.00 0.00 H new ATOM 283 N ILE A 21 5.399 -1.280 5.121 1.00 0.00 N ATOM 284 CA ILE A 21 4.222 -1.176 4.250 1.00 0.00 C ATOM 285 C ILE A 21 3.618 -2.559 4.023 1.00 0.00 C ATOM 286 O ILE A 21 2.415 -2.720 4.185 1.00 0.00 O ATOM 287 CB ILE A 21 4.535 -0.493 2.903 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.554 0.673 3.015 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.183 -0.134 2.252 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.338 1.822 2.027 1.00 0.00 C ATOM 0 H ILE A 21 6.281 -1.051 4.664 1.00 0.00 H new ATOM 0 HA ILE A 21 3.498 -0.541 4.760 1.00 0.00 H new ATOM 0 HB ILE A 21 5.069 -1.176 2.242 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.514 1.073 4.028 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.557 0.273 2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.359 0.353 1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.602 -1.043 2.096 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.632 0.541 2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.099 2.586 2.185 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.410 1.443 1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.351 2.256 2.184 1.00 0.00 H new ATOM 302 N GLU A 22 4.467 -3.542 3.729 1.00 0.00 N ATOM 303 CA GLU A 22 4.106 -4.954 3.662 1.00 0.00 C ATOM 304 C GLU A 22 3.404 -5.391 4.958 1.00 0.00 C ATOM 305 O GLU A 22 2.286 -5.897 4.910 1.00 0.00 O ATOM 306 CB GLU A 22 5.384 -5.759 3.358 1.00 0.00 C ATOM 307 CG GLU A 22 5.828 -5.573 1.887 1.00 0.00 C ATOM 308 CD GLU A 22 5.908 -6.858 1.056 1.00 0.00 C ATOM 309 OE1 GLU A 22 6.223 -7.920 1.632 1.00 0.00 O ATOM 310 OE2 GLU A 22 5.675 -6.748 -0.172 1.00 0.00 O ATOM 0 H GLU A 22 5.452 -3.372 3.525 1.00 0.00 H new ATOM 0 HA GLU A 22 3.389 -5.140 2.862 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.185 -5.440 4.025 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.206 -6.816 3.556 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.134 -4.888 1.400 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.807 -5.094 1.879 1.00 0.00 H new ATOM 317 N SER A 23 3.988 -5.121 6.127 1.00 0.00 N ATOM 318 CA SER A 23 3.402 -5.550 7.400 1.00 0.00 C ATOM 319 C SER A 23 2.123 -4.830 7.848 1.00 0.00 C ATOM 320 O SER A 23 1.278 -5.461 8.486 1.00 0.00 O ATOM 321 CB SER A 23 4.451 -5.372 8.493 1.00 0.00 C ATOM 322 OG SER A 23 3.986 -5.907 9.723 1.00 0.00 O ATOM 0 H SER A 23 4.865 -4.608 6.219 1.00 0.00 H new ATOM 0 HA SER A 23 3.103 -6.585 7.235 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.376 -5.868 8.201 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.682 -4.314 8.614 1.00 0.00 H new ATOM 0 HG SER A 23 4.672 -5.786 10.413 1.00 0.00 H new ATOM 328 N THR A 24 2.000 -3.520 7.609 1.00 0.00 N ATOM 329 CA THR A 24 0.838 -2.708 7.994 1.00 0.00 C ATOM 330 C THR A 24 -0.335 -3.003 7.083 1.00 0.00 C ATOM 331 O THR A 24 -1.466 -3.123 7.553 1.00 0.00 O ATOM 332 CB THR A 24 1.215 -1.214 7.999 1.00 0.00 C ATOM 333 OG1 THR A 24 2.077 -1.023 9.092 1.00 0.00 O ATOM 334 CG2 THR A 24 0.031 -0.269 8.206 1.00 0.00 C ATOM 0 H THR A 24 2.722 -2.981 7.131 1.00 0.00 H new ATOM 0 HA THR A 24 0.531 -2.969 9.007 1.00 0.00 H new ATOM 0 HB THR A 24 1.649 -0.983 7.026 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.995 -1.238 8.826 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.383 0.763 8.196 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.694 -0.413 7.405 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.441 -0.482 9.165 1.00 0.00 H new ATOM 342 N LEU A 25 -0.064 -3.141 5.786 1.00 0.00 N ATOM 343 CA LEU A 25 -1.085 -3.490 4.814 1.00 0.00 C ATOM 344 C LEU A 25 -1.488 -4.946 4.960 1.00 0.00 C ATOM 345 O LEU A 25 -2.683 -5.182 5.054 1.00 0.00 O ATOM 346 CB LEU A 25 -0.618 -3.187 3.387 1.00 0.00 C ATOM 347 CG LEU A 25 -0.611 -1.702 2.953 1.00 0.00 C ATOM 348 CD1 LEU A 25 -1.927 -1.374 2.236 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.373 -0.680 4.081 1.00 0.00 C ATOM 0 H LEU A 25 0.866 -3.014 5.386 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.963 -2.874 5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.392 -3.579 3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.256 -3.739 2.697 1.00 0.00 H new ATOM 0 HG LEU A 25 0.249 -1.602 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.924 -0.328 1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.030 -2.009 1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.764 -1.551 2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.388 0.328 3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.158 -0.776 4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.596 -0.868 4.544 1.00 0.00 H new ATOM 361 N SER A 26 -0.570 -5.917 5.044 1.00 0.00 N ATOM 362 CA SER A 26 -0.956 -7.344 5.027 1.00 0.00 C ATOM 363 C SER A 26 -1.630 -7.819 6.337 1.00 0.00 C ATOM 364 O SER A 26 -1.769 -9.019 6.580 1.00 0.00 O ATOM 365 CB SER A 26 0.254 -8.219 4.677 1.00 0.00 C ATOM 366 OG SER A 26 -0.143 -9.569 4.519 1.00 0.00 O ATOM 0 H SER A 26 0.433 -5.750 5.124 1.00 0.00 H new ATOM 0 HA SER A 26 -1.714 -7.452 4.251 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.717 -7.860 3.758 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.005 -8.144 5.463 1.00 0.00 H new ATOM 0 HG SER A 26 -0.754 -9.817 5.244 1.00 0.00 H new ATOM 372 N ALA A 27 -2.057 -6.879 7.184 1.00 0.00 N ATOM 373 CA ALA A 27 -2.823 -7.106 8.409 1.00 0.00 C ATOM 374 C ALA A 27 -4.287 -6.643 8.272 1.00 0.00 C ATOM 375 O ALA A 27 -5.099 -6.848 9.186 1.00 0.00 O ATOM 376 CB ALA A 27 -2.105 -6.351 9.538 1.00 0.00 C ATOM 0 H ALA A 27 -1.867 -5.890 7.025 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.870 -8.173 8.625 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.646 -6.495 10.473 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.090 -6.734 9.644 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.069 -5.288 9.299 1.00 0.00 H new ATOM 382 N LEU A 28 -4.651 -5.984 7.162 1.00 0.00 N ATOM 383 CA LEU A 28 -5.962 -5.371 7.033 1.00 0.00 C ATOM 384 C LEU A 28 -7.010 -6.465 6.835 1.00 0.00 C ATOM 385 O LEU A 28 -6.884 -7.311 5.954 1.00 0.00 O ATOM 386 CB LEU A 28 -5.964 -4.341 5.895 1.00 0.00 C ATOM 387 CG LEU A 28 -4.974 -3.176 6.093 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.698 -2.452 4.770 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.521 -2.168 7.104 1.00 0.00 C ATOM 0 H LEU A 28 -4.050 -5.867 6.347 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.212 -4.827 7.944 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.727 -4.849 4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.970 -3.934 5.791 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.043 -3.603 6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.997 -1.636 4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.270 -3.153 4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.631 -2.052 4.373 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.807 -1.354 7.229 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.468 -1.768 6.742 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.678 -2.663 8.062 1.00 0.00 H new ATOM 401 N GLN A 29 -8.078 -6.427 7.627 1.00 0.00 N ATOM 402 CA GLN A 29 -9.064 -7.513 7.693 1.00 0.00 C ATOM 403 C GLN A 29 -9.753 -7.791 6.342 1.00 0.00 C ATOM 404 O GLN A 29 -10.301 -8.869 6.157 1.00 0.00 O ATOM 405 CB GLN A 29 -10.089 -7.188 8.795 1.00 0.00 C ATOM 406 CG GLN A 29 -9.486 -6.857 10.178 1.00 0.00 C ATOM 407 CD GLN A 29 -8.733 -8.021 10.823 1.00 0.00 C ATOM 408 OE1 GLN A 29 -9.307 -8.829 11.530 1.00 0.00 O ATOM 409 NE2 GLN A 29 -7.437 -8.170 10.626 1.00 0.00 N ATOM 0 H GLN A 29 -8.289 -5.643 8.244 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.536 -8.435 7.939 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.694 -6.342 8.468 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.763 -8.038 8.904 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.806 -6.011 10.074 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.287 -6.541 10.846 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.931 -7.508 10.038 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.941 -8.948 11.062 1.00 0.00 H new ATOM 418 N TYR A 30 -9.690 -6.857 5.384 1.00 0.00 N ATOM 419 CA TYR A 30 -10.144 -7.031 3.999 1.00 0.00 C ATOM 420 C TYR A 30 -9.059 -7.410 2.968 1.00 0.00 C ATOM 421 O TYR A 30 -9.422 -7.657 1.817 1.00 0.00 O ATOM 422 CB TYR A 30 -10.848 -5.736 3.554 1.00 0.00 C ATOM 423 CG TYR A 30 -10.163 -4.416 3.906 1.00 0.00 C ATOM 424 CD1 TYR A 30 -8.819 -4.157 3.557 1.00 0.00 C ATOM 425 CD2 TYR A 30 -10.891 -3.428 4.604 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.240 -2.919 3.872 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.299 -2.196 4.946 1.00 0.00 C ATOM 428 CZ TYR A 30 -8.965 -1.932 4.571 1.00 0.00 C ATOM 429 OH TYR A 30 -8.379 -0.748 4.905 1.00 0.00 O ATOM 0 H TYR A 30 -9.308 -5.927 5.559 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.813 -7.892 4.015 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.974 -5.774 2.472 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.847 -5.726 3.991 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.238 -4.912 3.048 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.917 -3.620 4.880 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.221 -2.718 3.574 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.865 -1.456 5.493 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.995 -0.335 4.103 1.00 0.00 H new ATOM 439 N VAL A 31 -7.756 -7.405 3.285 1.00 0.00 N ATOM 440 CA VAL A 31 -6.711 -7.634 2.266 1.00 0.00 C ATOM 441 C VAL A 31 -6.323 -9.113 2.248 1.00 0.00 C ATOM 442 O VAL A 31 -6.229 -9.753 3.292 1.00 0.00 O ATOM 443 CB VAL A 31 -5.505 -6.676 2.358 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.575 -7.010 3.474 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.615 -6.667 1.104 1.00 0.00 C ATOM 0 H VAL A 31 -7.399 -7.247 4.227 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.142 -7.383 1.297 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.989 -5.710 2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.749 -6.299 3.484 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.110 -6.957 4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.185 -8.018 3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.790 -5.969 1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.218 -7.667 0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.205 -6.358 0.241 1.00 0.00 H new ATOM 455 N SER A 32 -6.138 -9.668 1.053 1.00 0.00 N ATOM 456 CA SER A 32 -5.876 -11.096 0.850 1.00 0.00 C ATOM 457 C SER A 32 -4.425 -11.392 0.439 1.00 0.00 C ATOM 458 O SER A 32 -4.032 -12.556 0.455 1.00 0.00 O ATOM 459 CB SER A 32 -6.843 -11.623 -0.216 1.00 0.00 C ATOM 460 OG SER A 32 -6.925 -13.035 -0.166 1.00 0.00 O ATOM 0 H SER A 32 -6.166 -9.134 0.185 1.00 0.00 H new ATOM 0 HA SER A 32 -6.031 -11.602 1.803 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.832 -11.191 -0.062 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.508 -11.308 -1.204 1.00 0.00 H new ATOM 0 HG SER A 32 -6.030 -13.410 -0.033 1.00 0.00 H new ATOM 466 N SER A 33 -3.639 -10.377 0.053 1.00 0.00 N ATOM 467 CA SER A 33 -2.251 -10.444 -0.429 1.00 0.00 C ATOM 468 C SER A 33 -1.705 -9.051 -0.793 1.00 0.00 C ATOM 469 O SER A 33 -2.419 -8.052 -0.809 1.00 0.00 O ATOM 470 CB SER A 33 -2.140 -11.404 -1.623 1.00 0.00 C ATOM 471 OG SER A 33 -1.959 -12.729 -1.169 1.00 0.00 O ATOM 0 H SER A 33 -3.982 -9.416 0.071 1.00 0.00 H new ATOM 0 HA SER A 33 -1.638 -10.830 0.385 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.040 -11.341 -2.234 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.303 -11.112 -2.257 1.00 0.00 H new ATOM 0 HG SER A 33 -2.765 -13.026 -0.697 1.00 0.00 H new ATOM 477 N ILE A 34 -0.427 -8.980 -1.135 1.00 0.00 N ATOM 478 CA ILE A 34 0.373 -7.769 -1.381 1.00 0.00 C ATOM 479 C ILE A 34 1.750 -8.168 -1.926 1.00 0.00 C ATOM 480 O ILE A 34 2.177 -9.296 -1.696 1.00 0.00 O ATOM 481 CB ILE A 34 0.493 -6.905 -0.089 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.262 -5.584 -0.334 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.145 -7.681 1.073 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.066 -4.540 0.769 1.00 0.00 C ATOM 0 H ILE A 34 0.128 -9.827 -1.260 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.129 -7.153 -2.127 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.530 -6.657 0.194 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.325 -5.805 -0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.941 -5.159 -1.285 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.207 -7.038 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.542 -8.558 1.308 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.147 -7.996 0.783 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.636 -3.643 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.008 -4.288 0.848 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.414 -4.945 1.719 1.00 0.00 H new ATOM 496 N VAL A 35 2.377 -7.255 -2.665 1.00 0.00 N ATOM 497 CA VAL A 35 3.791 -7.248 -3.068 1.00 0.00 C ATOM 498 C VAL A 35 4.247 -5.803 -3.170 1.00 0.00 C ATOM 499 O VAL A 35 3.630 -5.000 -3.874 1.00 0.00 O ATOM 500 CB VAL A 35 4.067 -7.930 -4.428 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.453 -7.604 -5.032 1.00 0.00 C ATOM 502 CG2 VAL A 35 4.020 -9.449 -4.251 1.00 0.00 C ATOM 0 H VAL A 35 1.879 -6.441 -3.026 1.00 0.00 H new ATOM 0 HA VAL A 35 4.334 -7.816 -2.312 1.00 0.00 H new ATOM 0 HB VAL A 35 3.300 -7.549 -5.103 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.566 -8.122 -5.985 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.537 -6.529 -5.191 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.235 -7.931 -4.346 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.214 -9.933 -5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.778 -9.755 -3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.035 -9.743 -3.889 1.00 0.00 H new ATOM 512 N VAL A 36 5.369 -5.506 -2.531 1.00 0.00 N ATOM 513 CA VAL A 36 6.085 -4.232 -2.679 1.00 0.00 C ATOM 514 C VAL A 36 7.326 -4.379 -3.559 1.00 0.00 C ATOM 515 O VAL A 36 8.151 -5.278 -3.400 1.00 0.00 O ATOM 516 CB VAL A 36 6.474 -3.629 -1.319 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.380 -2.399 -1.458 1.00 0.00 C ATOM 518 CG2 VAL A 36 5.259 -3.084 -0.569 1.00 0.00 C ATOM 0 H VAL A 36 5.821 -6.150 -1.882 1.00 0.00 H new ATOM 0 HA VAL A 36 5.393 -3.547 -3.170 1.00 0.00 H new ATOM 0 HB VAL A 36 6.965 -4.452 -0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.624 -2.013 -0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.298 -2.680 -1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.863 -1.629 -2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.578 -2.667 0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.784 -2.305 -1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.548 -3.891 -0.393 1.00 0.00 H new ATOM 528 N SER A 37 7.493 -3.398 -4.441 1.00 0.00 N ATOM 529 CA SER A 37 8.712 -3.223 -5.229 1.00 0.00 C ATOM 530 C SER A 37 9.815 -2.575 -4.380 1.00 0.00 C ATOM 531 O SER A 37 9.904 -1.348 -4.338 1.00 0.00 O ATOM 532 CB SER A 37 8.422 -2.347 -6.456 1.00 0.00 C ATOM 533 OG SER A 37 7.825 -3.087 -7.504 1.00 0.00 O ATOM 0 H SER A 37 6.780 -2.694 -4.632 1.00 0.00 H new ATOM 0 HA SER A 37 9.054 -4.204 -5.558 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.763 -1.527 -6.169 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.351 -1.900 -6.811 1.00 0.00 H new ATOM 0 HG SER A 37 7.654 -2.495 -8.266 1.00 0.00 H new ATOM 539 N LEU A 38 10.689 -3.374 -3.741 1.00 0.00 N ATOM 540 CA LEU A 38 11.791 -2.873 -2.897 1.00 0.00 C ATOM 541 C LEU A 38 12.694 -1.894 -3.622 1.00 0.00 C ATOM 542 O LEU A 38 13.112 -0.900 -3.050 1.00 0.00 O ATOM 543 CB LEU A 38 12.664 -3.996 -2.317 1.00 0.00 C ATOM 544 CG LEU A 38 13.586 -3.461 -1.194 1.00 0.00 C ATOM 545 CD1 LEU A 38 12.844 -2.820 -0.022 1.00 0.00 C ATOM 546 CD2 LEU A 38 14.423 -4.562 -0.580 1.00 0.00 C ATOM 0 H LEU A 38 10.651 -4.392 -3.796 1.00 0.00 H new ATOM 0 HA LEU A 38 11.285 -2.357 -2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.028 -4.789 -1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.269 -4.437 -3.109 1.00 0.00 H new ATOM 0 HG LEU A 38 14.190 -2.713 -1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.564 -2.473 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.257 -1.975 -0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.180 -3.555 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.056 -4.144 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.768 -5.321 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.049 -5.015 -1.349 1.00 0.00 H new ATOM 558 N GLU A 39 13.036 -2.212 -4.864 1.00 0.00 N ATOM 559 CA GLU A 39 13.760 -1.354 -5.774 1.00 0.00 C ATOM 560 C GLU A 39 13.195 0.077 -5.813 1.00 0.00 C ATOM 561 O GLU A 39 13.959 1.036 -5.703 1.00 0.00 O ATOM 562 CB GLU A 39 13.734 -2.017 -7.160 1.00 0.00 C ATOM 563 CG GLU A 39 12.432 -2.758 -7.517 1.00 0.00 C ATOM 564 CD GLU A 39 12.210 -2.770 -9.020 1.00 0.00 C ATOM 565 OE1 GLU A 39 12.883 -3.569 -9.702 1.00 0.00 O ATOM 566 OE2 GLU A 39 11.370 -1.944 -9.440 1.00 0.00 O ATOM 0 H GLU A 39 12.803 -3.116 -5.276 1.00 0.00 H new ATOM 0 HA GLU A 39 14.788 -1.243 -5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.913 -1.250 -7.914 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.562 -2.723 -7.221 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.477 -3.781 -7.144 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.588 -2.276 -7.024 1.00 0.00 H new ATOM 573 N ASN A 40 11.867 0.188 -5.866 1.00 0.00 N ATOM 574 CA ASN A 40 11.070 1.379 -6.135 1.00 0.00 C ATOM 575 C ASN A 40 10.260 1.899 -4.926 1.00 0.00 C ATOM 576 O ASN A 40 10.495 1.545 -3.772 1.00 0.00 O ATOM 577 CB ASN A 40 10.225 1.110 -7.400 1.00 0.00 C ATOM 578 CG ASN A 40 11.008 1.675 -8.564 1.00 0.00 C ATOM 579 OD1 ASN A 40 11.051 2.886 -8.738 1.00 0.00 O ATOM 580 ND2 ASN A 40 11.755 0.853 -9.267 1.00 0.00 N ATOM 0 H ASN A 40 11.273 -0.626 -5.708 1.00 0.00 H new ATOM 0 HA ASN A 40 11.741 2.217 -6.324 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.051 0.042 -7.531 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.247 1.585 -7.322 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.389 1.220 -9.977 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.701 -0.152 -9.103 1.00 0.00 H new ATOM 587 N ARG A 41 9.378 2.872 -5.191 1.00 0.00 N ATOM 588 CA ARG A 41 8.542 3.577 -4.210 1.00 0.00 C ATOM 589 C ARG A 41 7.073 3.086 -4.151 1.00 0.00 C ATOM 590 O ARG A 41 6.203 3.841 -3.716 1.00 0.00 O ATOM 591 CB ARG A 41 8.567 5.101 -4.499 1.00 0.00 C ATOM 592 CG ARG A 41 9.804 5.750 -5.108 1.00 0.00 C ATOM 593 CD ARG A 41 10.992 5.827 -4.158 1.00 0.00 C ATOM 594 NE ARG A 41 10.784 6.622 -2.928 1.00 0.00 N ATOM 595 CZ ARG A 41 10.553 7.929 -2.799 1.00 0.00 C ATOM 596 NH1 ARG A 41 10.340 8.742 -3.817 1.00 0.00 N ATOM 597 NH2 ARG A 41 10.560 8.445 -1.590 1.00 0.00 N ATOM 0 H ARG A 41 9.220 3.205 -6.142 1.00 0.00 H new ATOM 0 HA ARG A 41 8.975 3.355 -3.235 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.730 5.317 -5.163 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.366 5.611 -3.557 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.097 5.189 -5.995 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.549 6.757 -5.437 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.269 4.813 -3.870 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.840 6.247 -4.700 1.00 0.00 H new ATOM 0 HE ARG A 41 10.823 6.096 -2.055 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.346 8.378 -4.770 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.169 9.734 -3.651 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.739 7.849 -0.782 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.387 9.442 -1.460 1.00 0.00 H new ATOM 611 N SER A 42 6.739 1.888 -4.641 1.00 0.00 N ATOM 612 CA SER A 42 5.340 1.461 -4.867 1.00 0.00 C ATOM 613 C SER A 42 4.973 0.036 -4.435 1.00 0.00 C ATOM 614 O SER A 42 5.812 -0.864 -4.410 1.00 0.00 O ATOM 615 CB SER A 42 5.005 1.560 -6.359 1.00 0.00 C ATOM 616 OG SER A 42 6.002 0.947 -7.161 1.00 0.00 O ATOM 0 H SER A 42 7.428 1.180 -4.895 1.00 0.00 H new ATOM 0 HA SER A 42 4.767 2.138 -4.233 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.042 1.085 -6.548 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.904 2.608 -6.641 1.00 0.00 H new ATOM 0 HG SER A 42 5.756 1.027 -8.106 1.00 0.00 H new ATOM 622 N ALA A 43 3.678 -0.166 -4.188 1.00 0.00 N ATOM 623 CA ALA A 43 3.071 -1.395 -3.673 1.00 0.00 C ATOM 624 C ALA A 43 1.872 -1.805 -4.534 1.00 0.00 C ATOM 625 O ALA A 43 1.052 -0.961 -4.893 1.00 0.00 O ATOM 626 CB ALA A 43 2.609 -1.105 -2.233 1.00 0.00 C ATOM 0 H ALA A 43 2.985 0.565 -4.351 1.00 0.00 H new ATOM 0 HA ALA A 43 3.791 -2.213 -3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.149 -1.999 -1.811 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.468 -0.818 -1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.882 -0.293 -2.241 1.00 0.00 H new ATOM 632 N ILE A 44 1.744 -3.094 -4.847 1.00 0.00 N ATOM 633 CA ILE A 44 0.550 -3.692 -5.455 1.00 0.00 C ATOM 634 C ILE A 44 -0.093 -4.525 -4.346 1.00 0.00 C ATOM 635 O ILE A 44 0.556 -5.396 -3.764 1.00 0.00 O ATOM 636 CB ILE A 44 0.913 -4.518 -6.706 1.00 0.00 C ATOM 637 CG1 ILE A 44 1.542 -3.593 -7.777 1.00 0.00 C ATOM 638 CG2 ILE A 44 -0.354 -5.214 -7.247 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.099 -4.336 -8.996 1.00 0.00 C ATOM 0 H ILE A 44 2.487 -3.772 -4.681 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.151 -2.942 -5.821 1.00 0.00 H new ATOM 0 HB ILE A 44 1.643 -5.284 -6.446 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.790 -2.879 -8.112 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.345 -3.017 -7.318 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.099 -5.798 -8.131 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.762 -5.874 -6.481 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.098 -4.462 -7.511 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.521 -3.617 -9.698 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.876 -5.030 -8.675 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.296 -4.890 -9.483 1.00 0.00 H new ATOM 651 N VAL A 45 -1.347 -4.220 -4.029 1.00 0.00 N ATOM 652 CA VAL A 45 -2.055 -4.691 -2.835 1.00 0.00 C ATOM 653 C VAL A 45 -3.330 -5.410 -3.265 1.00 0.00 C ATOM 654 O VAL A 45 -4.176 -4.796 -3.909 1.00 0.00 O ATOM 655 CB VAL A 45 -2.433 -3.473 -1.973 1.00 0.00 C ATOM 656 CG1 VAL A 45 -3.066 -3.940 -0.656 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.237 -2.557 -1.650 1.00 0.00 C ATOM 0 H VAL A 45 -1.923 -3.616 -4.616 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.421 -5.371 -2.266 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.141 -2.891 -2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.331 -3.072 -0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.963 -4.521 -0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.354 -4.559 -0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.575 -1.719 -1.040 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.482 -3.123 -1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.806 -2.180 -2.578 1.00 0.00 H new ATOM 667 N VAL A 46 -3.488 -6.686 -2.916 1.00 0.00 N ATOM 668 CA VAL A 46 -4.559 -7.580 -3.397 1.00 0.00 C ATOM 669 C VAL A 46 -5.587 -7.780 -2.278 1.00 0.00 C ATOM 670 O VAL A 46 -5.283 -8.414 -1.275 1.00 0.00 O ATOM 671 CB VAL A 46 -3.953 -8.941 -3.818 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.990 -10.023 -4.148 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.992 -8.804 -5.012 1.00 0.00 C ATOM 0 H VAL A 46 -2.853 -7.150 -2.266 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.051 -7.135 -4.262 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.407 -9.265 -2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.478 -10.942 -4.433 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.612 -10.210 -3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.617 -9.686 -4.973 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.592 -9.784 -5.271 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.530 -8.394 -5.867 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.173 -8.137 -4.745 1.00 0.00 H new ATOM 683 N TYR A 47 -6.800 -7.250 -2.421 1.00 0.00 N ATOM 684 CA TYR A 47 -7.833 -7.236 -1.371 1.00 0.00 C ATOM 685 C TYR A 47 -9.150 -7.905 -1.818 1.00 0.00 C ATOM 686 O TYR A 47 -9.413 -8.054 -3.009 1.00 0.00 O ATOM 687 CB TYR A 47 -8.034 -5.794 -0.871 1.00 0.00 C ATOM 688 CG TYR A 47 -8.652 -4.849 -1.885 1.00 0.00 C ATOM 689 CD1 TYR A 47 -7.832 -4.264 -2.867 1.00 0.00 C ATOM 690 CD2 TYR A 47 -10.031 -4.552 -1.861 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.371 -3.389 -3.820 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.583 -3.690 -2.833 1.00 0.00 C ATOM 693 CZ TYR A 47 -9.753 -3.106 -3.816 1.00 0.00 C ATOM 694 OH TYR A 47 -10.271 -2.300 -4.782 1.00 0.00 O ATOM 0 H TYR A 47 -7.105 -6.807 -3.287 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.485 -7.844 -0.536 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.667 -5.817 0.016 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.068 -5.393 -0.563 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.776 -4.491 -2.887 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.664 -4.984 -1.100 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.728 -2.931 -4.557 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.642 -3.477 -2.825 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.236 -2.202 -4.643 1.00 0.00 H new ATOM 704 N ASN A 48 -9.975 -8.357 -0.869 1.00 0.00 N ATOM 705 CA ASN A 48 -11.140 -9.194 -1.168 1.00 0.00 C ATOM 706 C ASN A 48 -12.438 -8.371 -1.223 1.00 0.00 C ATOM 707 O ASN A 48 -12.930 -7.901 -0.196 1.00 0.00 O ATOM 708 CB ASN A 48 -11.222 -10.332 -0.141 1.00 0.00 C ATOM 709 CG ASN A 48 -12.207 -11.398 -0.599 1.00 0.00 C ATOM 710 OD1 ASN A 48 -13.413 -11.223 -0.548 1.00 0.00 O ATOM 711 ND2 ASN A 48 -11.724 -12.518 -1.102 1.00 0.00 N ATOM 0 H ASN A 48 -9.855 -8.154 0.123 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.019 -9.627 -2.161 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.236 -10.776 -0.003 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.531 -9.935 0.826 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.359 -13.237 -1.448 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.716 -12.665 -1.145 1.00 0.00 H new ATOM 780 N PRO A 54 -9.950 1.435 -3.513 1.00 0.00 N ATOM 781 CA PRO A 54 -8.534 1.528 -3.155 1.00 0.00 C ATOM 782 C PRO A 54 -8.254 2.518 -2.011 1.00 0.00 C ATOM 783 O PRO A 54 -7.154 2.511 -1.456 1.00 0.00 O ATOM 784 CB PRO A 54 -7.845 1.966 -4.453 1.00 0.00 C ATOM 785 CG PRO A 54 -8.900 2.809 -5.155 1.00 0.00 C ATOM 786 CD PRO A 54 -10.181 2.062 -4.811 1.00 0.00 C ATOM 0 HA PRO A 54 -8.164 0.576 -2.773 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.941 2.541 -4.252 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.549 1.109 -5.058 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.914 3.835 -4.787 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.733 2.859 -6.231 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.030 2.744 -4.768 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.411 1.314 -5.569 1.00 0.00 H new ATOM 794 N GLU A 55 -9.223 3.365 -1.646 1.00 0.00 N ATOM 795 CA GLU A 55 -9.070 4.464 -0.690 1.00 0.00 C ATOM 796 C GLU A 55 -8.547 3.965 0.658 1.00 0.00 C ATOM 797 O GLU A 55 -7.579 4.507 1.186 1.00 0.00 O ATOM 798 CB GLU A 55 -10.414 5.191 -0.484 1.00 0.00 C ATOM 799 CG GLU A 55 -10.913 5.993 -1.698 1.00 0.00 C ATOM 800 CD GLU A 55 -11.155 5.128 -2.935 1.00 0.00 C ATOM 801 OE1 GLU A 55 -11.687 4.004 -2.762 1.00 0.00 O ATOM 802 OE2 GLU A 55 -10.717 5.546 -4.025 1.00 0.00 O ATOM 0 H GLU A 55 -10.169 3.300 -2.023 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.341 5.159 -1.106 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.172 4.454 -0.219 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.317 5.868 0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.839 6.503 -1.432 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.183 6.765 -1.940 1.00 0.00 H new ATOM 809 N SER A 56 -9.131 2.903 1.210 1.00 0.00 N ATOM 810 CA SER A 56 -8.787 2.381 2.527 1.00 0.00 C ATOM 811 C SER A 56 -7.377 1.782 2.567 1.00 0.00 C ATOM 812 O SER A 56 -6.715 1.819 3.607 1.00 0.00 O ATOM 813 CB SER A 56 -9.797 1.297 2.908 1.00 0.00 C ATOM 814 OG SER A 56 -11.111 1.608 2.464 1.00 0.00 O ATOM 0 H SER A 56 -9.869 2.374 0.745 1.00 0.00 H new ATOM 0 HA SER A 56 -8.814 3.212 3.231 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.486 0.345 2.478 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.801 1.171 3.991 1.00 0.00 H new ATOM 0 HG SER A 56 -11.724 0.889 2.726 1.00 0.00 H new ATOM 820 N LEU A 57 -6.891 1.257 1.433 1.00 0.00 N ATOM 821 CA LEU A 57 -5.504 0.817 1.319 1.00 0.00 C ATOM 822 C LEU A 57 -4.570 2.028 1.305 1.00 0.00 C ATOM 823 O LEU A 57 -3.638 2.061 2.105 1.00 0.00 O ATOM 824 CB LEU A 57 -5.302 -0.044 0.067 1.00 0.00 C ATOM 825 CG LEU A 57 -6.211 -1.274 -0.114 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.762 -2.029 -1.372 1.00 0.00 C ATOM 827 CD2 LEU A 57 -6.178 -2.219 1.091 1.00 0.00 C ATOM 0 H LEU A 57 -7.443 1.129 0.585 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.263 0.201 2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.430 0.598 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.268 -0.388 0.061 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.238 -0.922 -0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.395 -2.904 -1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.846 -1.374 -2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.726 -2.346 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.837 -3.067 0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.160 -2.577 1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.513 -1.686 1.981 1.00 0.00 H new ATOM 839 N ARG A 58 -4.842 3.045 0.473 1.00 0.00 N ATOM 840 CA ARG A 58 -4.080 4.290 0.416 1.00 0.00 C ATOM 841 C ARG A 58 -3.966 4.920 1.813 1.00 0.00 C ATOM 842 O ARG A 58 -2.862 5.204 2.275 1.00 0.00 O ATOM 843 CB ARG A 58 -4.760 5.230 -0.590 1.00 0.00 C ATOM 844 CG ARG A 58 -3.814 6.331 -1.058 1.00 0.00 C ATOM 845 CD ARG A 58 -4.542 7.545 -1.643 1.00 0.00 C ATOM 846 NE ARG A 58 -4.774 8.550 -0.600 1.00 0.00 N ATOM 847 CZ ARG A 58 -5.216 9.786 -0.751 1.00 0.00 C ATOM 848 NH1 ARG A 58 -5.800 10.192 -1.861 1.00 0.00 N ATOM 849 NH2 ARG A 58 -5.044 10.623 0.247 1.00 0.00 N ATOM 0 H ARG A 58 -5.616 3.019 -0.191 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.061 4.096 0.081 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.104 4.656 -1.450 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.642 5.678 -0.132 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.200 6.654 -0.218 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.138 5.924 -1.810 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.951 7.978 -2.450 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.493 7.234 -2.076 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.570 8.260 0.356 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.923 9.544 -2.639 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.129 11.154 -1.942 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.583 10.310 1.101 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.372 11.586 0.168 1.00 0.00 H new ATOM 863 N LYS A 59 -5.078 5.034 2.549 1.00 0.00 N ATOM 864 CA LYS A 59 -5.104 5.405 3.958 1.00 0.00 C ATOM 865 C LYS A 59 -4.274 4.500 4.883 1.00 0.00 C ATOM 866 O LYS A 59 -3.620 5.044 5.766 1.00 0.00 O ATOM 867 CB LYS A 59 -6.567 5.442 4.412 1.00 0.00 C ATOM 868 CG LYS A 59 -7.410 6.572 3.804 1.00 0.00 C ATOM 869 CD LYS A 59 -6.681 7.913 3.692 1.00 0.00 C ATOM 870 CE LYS A 59 -6.305 8.496 5.063 1.00 0.00 C ATOM 871 NZ LYS A 59 -5.693 9.840 4.945 1.00 0.00 N ATOM 0 H LYS A 59 -6.008 4.865 2.165 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.630 6.383 4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.033 4.488 4.163 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.592 5.535 5.498 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.741 6.268 2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.305 6.708 4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.778 7.783 3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.314 8.623 3.160 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.196 8.557 5.688 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.609 7.823 5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.672 10.295 5.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.723 9.749 4.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.254 10.421 4.290 1.00 0.00 H new ATOM 885 N ALA A 60 -4.266 3.173 4.708 1.00 0.00 N ATOM 886 CA ALA A 60 -3.421 2.289 5.515 1.00 0.00 C ATOM 887 C ALA A 60 -1.923 2.525 5.257 1.00 0.00 C ATOM 888 O ALA A 60 -1.132 2.540 6.196 1.00 0.00 O ATOM 889 CB ALA A 60 -3.832 0.844 5.234 1.00 0.00 C ATOM 0 H ALA A 60 -4.836 2.689 4.014 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.571 2.510 6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.214 0.168 5.826 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.880 0.705 5.501 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.696 0.626 4.175 1.00 0.00 H new ATOM 895 N ILE A 61 -1.542 2.808 4.004 1.00 0.00 N ATOM 896 CA ILE A 61 -0.174 3.215 3.655 1.00 0.00 C ATOM 897 C ILE A 61 0.162 4.542 4.330 1.00 0.00 C ATOM 898 O ILE A 61 1.119 4.596 5.103 1.00 0.00 O ATOM 899 CB ILE A 61 0.054 3.282 2.121 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.300 1.981 1.373 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.517 3.646 1.837 1.00 0.00 C ATOM 902 CD1 ILE A 61 -0.080 2.034 -0.143 1.00 0.00 C ATOM 0 H ILE A 61 -2.173 2.761 3.204 1.00 0.00 H new ATOM 0 HA ILE A 61 0.506 2.449 4.027 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.626 4.047 1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.297 1.167 1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.345 1.739 1.567 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.678 3.693 0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.743 4.616 2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.171 2.888 2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.355 1.076 -0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.698 2.822 -0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.970 2.241 -0.351 1.00 0.00 H new ATOM 914 N GLU A 62 -0.653 5.581 4.123 1.00 0.00 N ATOM 915 CA GLU A 62 -0.471 6.867 4.788 1.00 0.00 C ATOM 916 C GLU A 62 -0.321 6.695 6.306 1.00 0.00 C ATOM 917 O GLU A 62 0.471 7.410 6.900 1.00 0.00 O ATOM 918 CB GLU A 62 -1.649 7.814 4.515 1.00 0.00 C ATOM 919 CG GLU A 62 -1.769 8.347 3.083 1.00 0.00 C ATOM 920 CD GLU A 62 -3.065 9.134 2.886 1.00 0.00 C ATOM 921 OE1 GLU A 62 -3.356 10.066 3.661 1.00 0.00 O ATOM 922 OE2 GLU A 62 -3.857 8.792 1.982 1.00 0.00 O ATOM 0 H GLU A 62 -1.453 5.551 3.491 1.00 0.00 H new ATOM 0 HA GLU A 62 0.442 7.300 4.379 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.573 7.293 4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.569 8.665 5.192 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.916 8.987 2.859 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.737 7.515 2.380 1.00 0.00 H new ATOM 929 N ALA A 63 -0.988 5.717 6.931 1.00 0.00 N ATOM 930 CA ALA A 63 -0.979 5.510 8.382 1.00 0.00 C ATOM 931 C ALA A 63 0.274 4.791 8.921 1.00 0.00 C ATOM 932 O ALA A 63 0.349 4.521 10.116 1.00 0.00 O ATOM 933 CB ALA A 63 -2.275 4.788 8.777 1.00 0.00 C ATOM 0 H ALA A 63 -1.559 5.035 6.432 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.933 6.491 8.855 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.287 4.625 9.855 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.132 5.398 8.493 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.327 3.828 8.264 1.00 0.00 H new ATOM 939 N VAL A 64 1.259 4.524 8.061 1.00 0.00 N ATOM 940 CA VAL A 64 2.547 3.906 8.418 1.00 0.00 C ATOM 941 C VAL A 64 3.661 4.940 8.514 1.00 0.00 C ATOM 942 O VAL A 64 4.635 4.757 9.241 1.00 0.00 O ATOM 943 CB VAL A 64 2.932 2.773 7.442 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.800 3.147 6.253 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.712 1.710 8.216 1.00 0.00 C ATOM 0 H VAL A 64 1.185 4.736 7.066 1.00 0.00 H new ATOM 0 HA VAL A 64 2.418 3.462 9.405 1.00 0.00 H new ATOM 0 HB VAL A 64 1.976 2.446 7.034 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.995 2.259 5.651 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.285 3.891 5.646 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.745 3.559 6.608 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.992 0.901 7.541 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.611 2.156 8.641 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.089 1.314 9.018 1.00 0.00 H new ATOM 955 N SER A 65 3.532 6.050 7.788 1.00 0.00 N ATOM 956 CA SER A 65 4.380 7.227 7.947 1.00 0.00 C ATOM 957 C SER A 65 3.599 8.512 7.595 1.00 0.00 C ATOM 958 O SER A 65 3.886 9.169 6.590 1.00 0.00 O ATOM 959 CB SER A 65 5.743 7.061 7.252 1.00 0.00 C ATOM 960 OG SER A 65 6.128 5.710 7.035 1.00 0.00 O ATOM 0 H SER A 65 2.824 6.157 7.062 1.00 0.00 H new ATOM 0 HA SER A 65 4.648 7.337 8.998 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.714 7.577 6.292 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.507 7.552 7.854 1.00 0.00 H new ATOM 0 HG SER A 65 6.204 5.542 6.072 1.00 0.00 H new ATOM 966 N PRO A 66 2.569 8.847 8.401 1.00 0.00 N ATOM 967 CA PRO A 66 1.666 9.967 8.153 1.00 0.00 C ATOM 968 C PRO A 66 2.384 11.314 8.171 1.00 0.00 C ATOM 969 O PRO A 66 3.323 11.529 8.934 1.00 0.00 O ATOM 970 CB PRO A 66 0.564 9.877 9.218 1.00 0.00 C ATOM 971 CG PRO A 66 1.176 9.004 10.315 1.00 0.00 C ATOM 972 CD PRO A 66 2.054 8.055 9.510 1.00 0.00 C ATOM 0 HA PRO A 66 1.241 9.902 7.151 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.294 10.863 9.597 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.345 9.431 8.814 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.756 9.591 11.028 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.415 8.471 10.885 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.866 7.659 10.120 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.481 7.201 9.149 1.00 0.00 H new ATOM 980 N GLY A 67 1.935 12.220 7.295 1.00 0.00 N ATOM 981 CA GLY A 67 2.539 13.539 7.067 1.00 0.00 C ATOM 982 C GLY A 67 3.720 13.501 6.093 1.00 0.00 C ATOM 983 O GLY A 67 3.902 14.438 5.322 1.00 0.00 O ATOM 0 H GLY A 67 1.118 12.052 6.708 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.779 14.218 6.680 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.875 13.947 8.020 1.00 0.00 H new ATOM 987 N LEU A 68 4.489 12.407 6.100 1.00 0.00 N ATOM 988 CA LEU A 68 5.623 12.158 5.208 1.00 0.00 C ATOM 989 C LEU A 68 5.171 11.535 3.877 1.00 0.00 C ATOM 990 O LEU A 68 5.600 11.939 2.799 1.00 0.00 O ATOM 991 CB LEU A 68 6.590 11.258 5.997 1.00 0.00 C ATOM 992 CG LEU A 68 7.777 10.711 5.195 1.00 0.00 C ATOM 993 CD1 LEU A 68 8.649 11.810 4.590 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.622 9.846 6.125 1.00 0.00 C ATOM 0 H LEU A 68 4.331 11.641 6.754 1.00 0.00 H new ATOM 0 HA LEU A 68 6.120 13.084 4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.975 11.823 6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.028 10.417 6.403 1.00 0.00 H new ATOM 0 HG LEU A 68 7.380 10.134 4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.471 11.358 4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.049 12.421 3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.050 12.436 5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.474 9.445 5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.980 10.450 6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.017 9.023 6.507 1.00 0.00 H new ATOM 1006 N TYR A 69 4.313 10.520 3.940 1.00 0.00 N ATOM 1007 CA TYR A 69 3.945 9.689 2.796 1.00 0.00 C ATOM 1008 C TYR A 69 3.003 10.376 1.784 1.00 0.00 C ATOM 1009 O TYR A 69 1.787 10.431 1.973 1.00 0.00 O ATOM 1010 CB TYR A 69 3.341 8.380 3.327 1.00 0.00 C ATOM 1011 CG TYR A 69 4.296 7.240 3.634 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.690 7.413 3.789 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.763 5.942 3.670 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.526 6.301 3.998 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.599 4.829 3.764 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.980 5.001 3.958 1.00 0.00 C ATOM 1017 OH TYR A 69 6.751 3.902 4.139 1.00 0.00 O ATOM 0 H TYR A 69 3.845 10.247 4.804 1.00 0.00 H new ATOM 0 HA TYR A 69 4.852 9.494 2.225 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.788 8.610 4.238 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.616 8.023 2.596 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.116 8.405 3.747 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.693 5.803 3.624 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.580 6.442 4.188 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.184 3.835 3.688 1.00 0.00 H new ATOM 0 HH TYR A 69 7.694 4.166 4.172 1.00 0.00 H new ATOM 1027 N ARG A 70 3.534 10.768 0.617 1.00 0.00 N ATOM 1028 CA ARG A 70 2.803 11.369 -0.525 1.00 0.00 C ATOM 1029 C ARG A 70 1.892 10.389 -1.304 1.00 0.00 C ATOM 1030 O ARG A 70 1.840 10.425 -2.532 1.00 0.00 O ATOM 1031 CB ARG A 70 3.847 11.980 -1.481 1.00 0.00 C ATOM 1032 CG ARG A 70 3.316 13.111 -2.381 1.00 0.00 C ATOM 1033 CD ARG A 70 3.850 14.479 -1.950 1.00 0.00 C ATOM 1034 NE ARG A 70 5.272 14.662 -2.314 1.00 0.00 N ATOM 1035 CZ ARG A 70 6.005 15.756 -2.162 1.00 0.00 C ATOM 1036 NH1 ARG A 70 5.526 16.870 -1.633 1.00 0.00 N ATOM 1037 NH2 ARG A 70 7.257 15.733 -2.559 1.00 0.00 N ATOM 0 H ARG A 70 4.532 10.673 0.427 1.00 0.00 H new ATOM 0 HA ARG A 70 2.125 12.117 -0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.678 12.365 -0.890 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.246 11.188 -2.115 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.603 12.918 -3.415 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.227 13.120 -2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.253 15.263 -2.416 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.735 14.589 -0.872 1.00 0.00 H new ATOM 0 HE ARG A 70 5.741 13.856 -2.728 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.555 16.911 -1.323 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.127 17.688 -1.536 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.645 14.886 -2.974 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.841 16.562 -2.453 1.00 0.00 H new ATOM 1051 N VAL A 71 1.211 9.489 -0.606 1.00 0.00 N ATOM 1052 CA VAL A 71 0.546 8.320 -1.214 1.00 0.00 C ATOM 1053 C VAL A 71 -0.470 8.689 -2.280 1.00 0.00 C ATOM 1054 O VAL A 71 -1.406 9.451 -2.050 1.00 0.00 O ATOM 1055 CB VAL A 71 -0.106 7.345 -0.214 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.301 5.958 -0.851 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.753 7.185 1.037 1.00 0.00 C ATOM 0 H VAL A 71 1.098 9.541 0.406 1.00 0.00 H new ATOM 0 HA VAL A 71 1.381 7.796 -1.680 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.074 7.766 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.763 5.287 -0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.945 6.047 -1.726 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.667 5.557 -1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.269 6.492 1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.732 6.795 0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.873 8.154 1.523 1.00 0.00 H new ATOM 1067 N SER A 72 -0.267 8.096 -3.450 1.00 0.00 N ATOM 1068 CA SER A 72 -1.093 8.290 -4.630 1.00 0.00 C ATOM 1069 C SER A 72 -1.349 6.949 -5.324 1.00 0.00 C ATOM 1070 O SER A 72 -0.583 6.005 -5.163 1.00 0.00 O ATOM 1071 CB SER A 72 -0.373 9.255 -5.563 1.00 0.00 C ATOM 1072 OG SER A 72 -0.263 10.535 -4.964 1.00 0.00 O ATOM 0 H SER A 72 0.503 7.446 -3.606 1.00 0.00 H new ATOM 0 HA SER A 72 -2.061 8.706 -4.349 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.619 8.870 -5.798 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.916 9.333 -6.505 1.00 0.00 H new ATOM 0 HG SER A 72 0.365 10.492 -4.213 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.423 6.848 -6.101 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.822 5.646 -6.850 1.00 0.00 C ATOM 1080 C ILE A 73 -2.301 5.750 -8.274 1.00 0.00 C ATOM 1081 O ILE A 73 -2.526 6.755 -8.948 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.365 5.492 -6.810 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.857 5.341 -5.351 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.837 4.293 -7.658 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.374 5.456 -5.170 1.00 0.00 C ATOM 0 H ILE A 73 -3.068 7.627 -6.236 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.390 4.755 -6.394 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.797 6.396 -7.238 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.532 4.372 -4.971 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.373 6.102 -4.739 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.923 4.216 -7.606 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.532 4.438 -8.694 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.390 3.377 -7.273 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.625 5.337 -4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.708 6.435 -5.515 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.870 4.678 -5.751 1.00 0.00 H new ATOM 1097 N THR A 74 -1.591 4.715 -8.728 1.00 0.00 N ATOM 1098 CA THR A 74 -0.975 4.671 -10.052 1.00 0.00 C ATOM 1099 C THR A 74 -1.906 3.960 -11.029 1.00 0.00 C ATOM 1100 O THR A 74 -2.048 2.741 -10.979 1.00 0.00 O ATOM 1101 CB THR A 74 0.406 3.996 -9.972 1.00 0.00 C ATOM 1102 OG1 THR A 74 0.951 4.060 -8.669 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.374 4.744 -10.876 1.00 0.00 C ATOM 0 H THR A 74 -1.427 3.873 -8.177 1.00 0.00 H new ATOM 0 HA THR A 74 -0.819 5.685 -10.420 1.00 0.00 H new ATOM 0 HB THR A 74 0.273 2.955 -10.266 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.826 3.620 -8.659 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.356 4.273 -10.826 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.009 4.715 -11.903 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.452 5.780 -10.548 1.00 0.00 H new