USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 556 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 46:sc= 0.19 USER MOD Single : A 16 THR OG1 : rot 84:sc= 0.869 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -35:sc= 0.353 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 64:sc= 1.04 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -28:sc= 0.364 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -154:sc= -0.24 (180deg=-1.13) USER MOD Single : A 67 GLN :FLIP amide:sc= 0.575 F(o=0,f=0.58) USER MOD ----------------------------------------------------------------- ATOM 54 N PRO A 4 -5.336 7.907 -1.457 1.00 0.00 N ATOM 55 CA PRO A 4 -4.384 7.684 -0.322 1.00 0.00 C ATOM 56 C PRO A 4 -4.092 8.965 0.465 1.00 0.00 C ATOM 57 O PRO A 4 -3.551 8.916 1.567 1.00 0.00 O ATOM 58 CB PRO A 4 -3.117 7.162 -1.021 1.00 0.00 C ATOM 59 CG PRO A 4 -3.179 7.738 -2.396 1.00 0.00 C ATOM 60 CD PRO A 4 -4.663 7.774 -2.763 1.00 0.00 C ATOM 0 HA PRO A 4 -4.787 6.996 0.421 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -2.216 7.482 -0.498 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.100 6.072 -1.048 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -2.745 8.738 -2.422 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -2.616 7.128 -3.102 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -4.894 8.612 -3.421 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.970 6.867 -3.283 1.00 0.00 H new ATOM 68 N LYS A 5 -4.453 10.103 -0.108 1.00 0.00 N ATOM 69 CA LYS A 5 -4.225 11.388 0.543 1.00 0.00 C ATOM 70 C LYS A 5 -5.244 11.690 1.652 1.00 0.00 C ATOM 71 O LYS A 5 -4.885 11.993 2.785 1.00 0.00 O ATOM 72 CB LYS A 5 -4.298 12.491 -0.529 1.00 0.00 C ATOM 73 CG LYS A 5 -4.159 13.903 0.077 1.00 0.00 C ATOM 74 CD LYS A 5 -2.781 14.087 0.723 1.00 0.00 C ATOM 75 CE LYS A 5 -2.594 15.556 1.103 1.00 0.00 C ATOM 76 NZ LYS A 5 -1.255 15.742 1.732 1.00 0.00 N ATOM 0 H LYS A 5 -4.904 10.165 -1.021 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.245 11.352 1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.509 12.334 -1.264 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.247 12.417 -1.060 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.304 14.653 -0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.939 14.062 0.822 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.694 13.457 1.608 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.998 13.776 0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.682 16.185 0.217 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.378 15.866 1.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.129 16.741 1.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.188 15.153 2.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.513 15.462 1.059 1.00 0.00 H new ATOM 90 N THR A 6 -6.517 11.551 1.285 1.00 0.00 N ATOM 91 CA THR A 6 -7.652 11.750 2.199 1.00 0.00 C ATOM 92 C THR A 6 -7.911 10.515 3.079 1.00 0.00 C ATOM 93 O THR A 6 -8.361 10.608 4.221 1.00 0.00 O ATOM 94 CB THR A 6 -8.914 12.069 1.393 1.00 0.00 C ATOM 95 OG1 THR A 6 -9.202 10.984 0.521 1.00 0.00 O ATOM 96 CG2 THR A 6 -8.690 13.340 0.572 1.00 0.00 C ATOM 0 H THR A 6 -6.797 11.295 0.338 1.00 0.00 H new ATOM 0 HA THR A 6 -7.400 12.582 2.856 1.00 0.00 H new ATOM 0 HB THR A 6 -9.752 12.222 2.073 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.011 11.185 0.005 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.589 13.566 -0.001 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.468 14.171 1.241 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.853 13.190 -0.110 1.00 0.00 H new ATOM 104 N LEU A 7 -7.574 9.377 2.507 1.00 0.00 N ATOM 105 CA LEU A 7 -7.715 8.095 3.210 1.00 0.00 C ATOM 106 C LEU A 7 -6.813 8.069 4.454 1.00 0.00 C ATOM 107 O LEU A 7 -7.244 7.703 5.546 1.00 0.00 O ATOM 108 CB LEU A 7 -7.379 6.925 2.281 1.00 0.00 C ATOM 109 CG LEU A 7 -7.487 5.586 3.029 1.00 0.00 C ATOM 110 CD1 LEU A 7 -8.914 5.390 3.565 1.00 0.00 C ATOM 111 CD2 LEU A 7 -7.142 4.450 2.060 1.00 0.00 C ATOM 0 H LEU A 7 -7.201 9.302 1.561 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.752 7.989 3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.057 6.926 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.370 7.046 1.886 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.795 5.584 3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.977 4.438 4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.160 6.201 4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.618 5.391 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.215 3.494 2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.839 4.462 1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.126 4.584 1.689 1.00 0.00 H new ATOM 123 N LEU A 8 -5.568 8.490 4.274 1.00 0.00 N ATOM 124 CA LEU A 8 -4.557 8.581 5.336 1.00 0.00 C ATOM 125 C LEU A 8 -4.760 9.812 6.234 1.00 0.00 C ATOM 126 O LEU A 8 -4.274 9.879 7.363 1.00 0.00 O ATOM 127 CB LEU A 8 -3.155 8.647 4.718 1.00 0.00 C ATOM 128 CG LEU A 8 -2.846 7.362 3.930 1.00 0.00 C ATOM 129 CD1 LEU A 8 -1.480 7.510 3.247 1.00 0.00 C ATOM 130 CD2 LEU A 8 -2.816 6.142 4.876 1.00 0.00 C ATOM 0 H LEU A 8 -5.217 8.787 3.363 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.664 7.689 5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.084 9.511 4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.412 8.785 5.504 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.625 7.207 3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.253 6.603 2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.504 8.361 2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.711 7.671 4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.596 5.242 4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.045 6.287 5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.786 6.035 5.362 1.00 0.00 H new ATOM 142 N ARG A 9 -5.479 10.780 5.675 1.00 0.00 N ATOM 143 CA ARG A 9 -5.775 12.049 6.357 1.00 0.00 C ATOM 144 C ARG A 9 -6.716 11.891 7.550 1.00 0.00 C ATOM 145 O ARG A 9 -6.579 12.597 8.548 1.00 0.00 O ATOM 146 CB ARG A 9 -6.411 13.045 5.392 1.00 0.00 C ATOM 147 CG ARG A 9 -6.631 14.380 6.109 1.00 0.00 C ATOM 148 CD ARG A 9 -6.998 15.457 5.087 1.00 0.00 C ATOM 149 NE ARG A 9 -7.349 16.699 5.768 1.00 0.00 N ATOM 150 CZ ARG A 9 -7.409 17.851 5.109 1.00 0.00 C ATOM 151 NH1 ARG A 9 -7.107 17.894 3.840 1.00 0.00 N ATOM 152 NH2 ARG A 9 -7.772 18.940 5.730 1.00 0.00 N ATOM 0 H ARG A 9 -5.876 10.714 4.738 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.814 12.411 6.721 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.768 13.188 4.524 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.361 12.656 5.025 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.425 14.280 6.849 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.728 14.668 6.648 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.160 15.628 4.412 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.835 15.119 4.477 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.552 16.682 6.767 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.825 17.043 3.354 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.153 18.779 3.334 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.010 18.907 6.721 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.818 19.824 5.224 1.00 0.00 H new ATOM 166 N VAL A 10 -7.689 10.990 7.439 1.00 0.00 N ATOM 167 CA VAL A 10 -8.660 10.791 8.513 1.00 0.00 C ATOM 168 C VAL A 10 -8.081 10.060 9.722 1.00 0.00 C ATOM 169 O VAL A 10 -8.505 10.333 10.845 1.00 0.00 O ATOM 170 CB VAL A 10 -9.886 10.039 7.990 1.00 0.00 C ATOM 171 CG1 VAL A 10 -10.615 10.909 6.962 1.00 0.00 C ATOM 172 CG2 VAL A 10 -9.448 8.730 7.329 1.00 0.00 C ATOM 0 H VAL A 10 -7.826 10.391 6.625 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.949 11.786 8.853 1.00 0.00 H new ATOM 0 HB VAL A 10 -10.554 9.816 8.822 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.489 10.375 6.588 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.932 11.840 7.433 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.944 11.132 6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.324 8.198 6.958 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.778 8.949 6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.929 8.109 8.060 1.00 0.00 H new ATOM 182 N SER A 11 -7.135 9.146 9.553 1.00 0.00 N ATOM 183 CA SER A 11 -6.595 8.472 10.729 1.00 0.00 C ATOM 184 C SER A 11 -5.659 9.382 11.528 1.00 0.00 C ATOM 185 O SER A 11 -5.837 9.533 12.707 1.00 0.00 O ATOM 186 CB SER A 11 -5.842 7.212 10.302 1.00 0.00 C ATOM 187 OG SER A 11 -6.751 6.311 9.685 1.00 0.00 O ATOM 0 H SER A 11 -6.739 8.862 8.657 1.00 0.00 H new ATOM 0 HA SER A 11 -7.434 8.207 11.373 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.041 7.470 9.610 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.376 6.741 11.168 1.00 0.00 H new ATOM 0 HG SER A 11 -6.272 5.502 9.408 1.00 0.00 H new ATOM 193 N ILE A 12 -4.655 9.955 10.900 1.00 0.00 N ATOM 194 CA ILE A 12 -3.694 10.792 11.645 1.00 0.00 C ATOM 195 C ILE A 12 -4.383 11.926 12.443 1.00 0.00 C ATOM 196 O ILE A 12 -4.146 12.136 13.631 1.00 0.00 O ATOM 197 CB ILE A 12 -2.662 11.379 10.657 1.00 0.00 C ATOM 198 CG1 ILE A 12 -3.349 12.185 9.544 1.00 0.00 C ATOM 199 CG2 ILE A 12 -1.867 10.233 10.019 1.00 0.00 C ATOM 200 CD1 ILE A 12 -2.291 12.720 8.575 1.00 0.00 C ATOM 0 H ILE A 12 -4.471 9.870 9.900 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.196 10.157 12.377 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.001 12.046 11.211 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.061 11.555 9.011 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.914 13.011 9.975 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.137 10.642 9.320 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.350 9.671 10.797 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.548 9.570 9.485 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.777 13.292 7.785 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.596 13.364 9.114 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.745 11.885 8.135 1.00 0.00 H new ATOM 212 N ILE A 13 -5.239 12.603 11.726 1.00 0.00 N ATOM 213 CA ILE A 13 -6.020 13.717 12.289 1.00 0.00 C ATOM 214 C ILE A 13 -6.893 13.236 13.477 1.00 0.00 C ATOM 215 O ILE A 13 -6.983 13.908 14.504 1.00 0.00 O ATOM 216 CB ILE A 13 -6.888 14.377 11.214 1.00 0.00 C ATOM 217 CG1 ILE A 13 -7.467 15.690 11.753 1.00 0.00 C ATOM 218 CG2 ILE A 13 -8.027 13.438 10.834 1.00 0.00 C ATOM 219 CD1 ILE A 13 -8.117 16.473 10.608 1.00 0.00 C ATOM 0 H ILE A 13 -5.428 12.415 10.741 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.317 14.462 12.662 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.278 14.585 10.335 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.203 15.483 12.529 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.678 16.286 12.213 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.645 13.907 10.069 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -7.616 12.505 10.447 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.635 13.229 11.714 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.528 17.406 10.993 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.369 16.693 9.847 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.917 15.878 10.169 1.00 0.00 H new ATOM 231 N GLY A 14 -7.456 12.037 13.348 1.00 0.00 N ATOM 232 CA GLY A 14 -8.239 11.424 14.451 1.00 0.00 C ATOM 233 C GLY A 14 -7.298 10.698 15.444 1.00 0.00 C ATOM 234 O GLY A 14 -7.349 10.869 16.662 1.00 0.00 O ATOM 0 H GLY A 14 -7.394 11.465 12.506 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.806 12.194 14.974 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.962 10.718 14.043 1.00 0.00 H new ATOM 238 N THR A 15 -6.490 9.861 14.830 1.00 0.00 N ATOM 239 CA THR A 15 -5.510 8.991 15.510 1.00 0.00 C ATOM 240 C THR A 15 -4.532 9.786 16.371 1.00 0.00 C ATOM 241 O THR A 15 -4.025 9.269 17.366 1.00 0.00 O ATOM 242 CB THR A 15 -4.711 8.132 14.521 1.00 0.00 C ATOM 243 OG1 THR A 15 -5.604 7.408 13.688 1.00 0.00 O ATOM 244 CG2 THR A 15 -3.836 7.144 15.297 1.00 0.00 C ATOM 0 H THR A 15 -6.484 9.752 13.816 1.00 0.00 H new ATOM 0 HA THR A 15 -6.101 8.338 16.152 1.00 0.00 H new ATOM 0 HB THR A 15 -4.083 8.779 13.908 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.308 8.008 13.363 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.268 6.533 14.596 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.148 7.694 15.939 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.468 6.501 15.909 1.00 0.00 H new ATOM 252 N THR A 16 -4.276 11.041 16.014 1.00 0.00 N ATOM 253 CA THR A 16 -3.370 11.885 16.790 1.00 0.00 C ATOM 254 C THR A 16 -4.029 12.418 18.058 1.00 0.00 C ATOM 255 O THR A 16 -3.361 12.662 19.063 1.00 0.00 O ATOM 256 CB THR A 16 -2.877 13.058 15.937 1.00 0.00 C ATOM 257 OG1 THR A 16 -2.166 12.557 14.813 1.00 0.00 O ATOM 258 CG2 THR A 16 -1.953 13.944 16.772 1.00 0.00 C ATOM 0 H THR A 16 -4.681 11.496 15.196 1.00 0.00 H new ATOM 0 HA THR A 16 -2.525 11.263 17.087 1.00 0.00 H new ATOM 0 HB THR A 16 -3.730 13.645 15.597 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.799 12.332 14.099 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.602 14.778 16.165 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.498 14.327 17.635 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.099 13.359 17.113 1.00 0.00 H new ATOM 266 N LEU A 17 -5.334 12.657 17.978 1.00 0.00 N ATOM 267 CA LEU A 17 -6.119 13.230 19.068 1.00 0.00 C ATOM 268 C LEU A 17 -6.408 12.280 20.231 1.00 0.00 C ATOM 269 O LEU A 17 -6.636 12.753 21.344 1.00 0.00 O ATOM 270 CB LEU A 17 -7.447 13.754 18.503 1.00 0.00 C ATOM 271 CG LEU A 17 -8.112 14.743 19.480 1.00 0.00 C ATOM 272 CD1 LEU A 17 -7.382 16.100 19.468 1.00 0.00 C ATOM 273 CD2 LEU A 17 -9.574 14.950 19.067 1.00 0.00 C ATOM 0 H LEU A 17 -5.884 12.456 17.143 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.506 14.028 19.488 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.270 14.246 17.546 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.120 12.918 18.312 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.059 14.330 20.487 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.869 16.782 20.165 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.343 15.957 19.766 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.416 16.523 18.464 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.051 15.649 19.754 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.613 15.353 18.055 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.099 13.995 19.098 1.00 0.00 H new ATOM 285 N VAL A 18 -6.447 10.967 20.028 1.00 0.00 N ATOM 286 CA VAL A 18 -6.779 10.116 21.164 1.00 0.00 C ATOM 287 C VAL A 18 -5.754 10.334 22.275 1.00 0.00 C ATOM 288 O VAL A 18 -6.101 10.561 23.435 1.00 0.00 O ATOM 289 CB VAL A 18 -6.780 8.646 20.733 1.00 0.00 C ATOM 290 CG1 VAL A 18 -6.918 7.743 21.964 1.00 0.00 C ATOM 291 CG2 VAL A 18 -7.957 8.400 19.785 1.00 0.00 C ATOM 0 H VAL A 18 -6.265 10.491 19.144 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.772 10.374 21.532 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.843 8.417 20.225 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.918 6.699 21.651 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.081 7.919 22.640 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.853 7.968 22.477 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.962 7.355 19.475 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.891 8.631 20.297 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.857 9.038 18.907 1.00 0.00 H new ATOM 301 N ALA A 19 -4.488 10.222 21.890 1.00 0.00 N ATOM 302 CA ALA A 19 -3.366 10.359 22.812 1.00 0.00 C ATOM 303 C ALA A 19 -3.341 11.720 23.505 1.00 0.00 C ATOM 304 O ALA A 19 -2.923 11.826 24.658 1.00 0.00 O ATOM 305 CB ALA A 19 -2.055 10.162 22.049 1.00 0.00 C ATOM 0 H ALA A 19 -4.210 10.033 20.927 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.485 9.598 23.583 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.215 10.264 22.736 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.040 9.168 21.602 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.975 10.914 21.264 1.00 0.00 H new ATOM 311 N LEU A 20 -3.803 12.753 22.811 1.00 0.00 N ATOM 312 CA LEU A 20 -3.834 14.086 23.407 1.00 0.00 C ATOM 313 C LEU A 20 -4.839 14.122 24.558 1.00 0.00 C ATOM 314 O LEU A 20 -4.547 14.657 25.627 1.00 0.00 O ATOM 315 CB LEU A 20 -4.174 15.145 22.351 1.00 0.00 C ATOM 316 CG LEU A 20 -4.200 16.548 22.982 1.00 0.00 C ATOM 317 CD1 LEU A 20 -2.822 16.890 23.578 1.00 0.00 C ATOM 318 CD2 LEU A 20 -4.562 17.575 21.901 1.00 0.00 C ATOM 0 H LEU A 20 -4.155 12.699 21.855 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.845 14.315 23.803 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.438 15.115 21.548 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.143 14.923 21.904 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.942 16.570 23.780 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.854 17.885 24.021 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.566 16.159 24.345 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.069 16.868 22.790 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.583 18.573 22.339 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.818 17.544 21.105 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.543 17.339 21.489 1.00 0.00 H new ATOM 330 N SER A 21 -6.016 13.542 24.346 1.00 0.00 N ATOM 331 CA SER A 21 -7.044 13.507 25.384 1.00 0.00 C ATOM 332 C SER A 21 -6.710 12.466 26.451 1.00 0.00 C ATOM 333 O SER A 21 -7.185 12.536 27.569 1.00 0.00 O ATOM 334 CB SER A 21 -8.400 13.180 24.760 1.00 0.00 C ATOM 335 OG SER A 21 -9.399 13.201 25.772 1.00 0.00 O ATOM 0 H SER A 21 -6.282 13.092 23.470 1.00 0.00 H new ATOM 0 HA SER A 21 -7.083 14.488 25.857 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.639 13.904 23.981 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.368 12.200 24.285 1.00 0.00 H new ATOM 0 HG SER A 21 -10.271 12.993 25.375 1.00 0.00 H new ATOM 341 N SER A 22 -5.910 11.489 26.062 1.00 0.00 N ATOM 342 CA SER A 22 -5.526 10.405 26.971 1.00 0.00 C ATOM 343 C SER A 22 -4.577 10.918 28.064 1.00 0.00 C ATOM 344 O SER A 22 -4.344 10.259 29.077 1.00 0.00 O ATOM 345 CB SER A 22 -4.803 9.313 26.186 1.00 0.00 C ATOM 346 OG SER A 22 -3.495 9.763 25.864 1.00 0.00 O ATOM 0 H SER A 22 -5.510 11.417 25.126 1.00 0.00 H new ATOM 0 HA SER A 22 -6.432 10.013 27.433 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.752 8.397 26.775 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.354 9.076 25.276 1.00 0.00 H new ATOM 0 HG SER A 22 -3.514 10.728 25.695 1.00 0.00 H new ATOM 352 N PHE A 23 -4.067 12.124 27.831 1.00 0.00 N ATOM 353 CA PHE A 23 -3.162 12.755 28.810 1.00 0.00 C ATOM 354 C PHE A 23 -3.924 13.413 29.994 1.00 0.00 C ATOM 355 O PHE A 23 -3.435 13.339 31.120 1.00 0.00 O ATOM 356 CB PHE A 23 -2.216 13.755 28.107 1.00 0.00 C ATOM 357 CG PHE A 23 -0.904 13.063 27.772 1.00 0.00 C ATOM 358 CD1 PHE A 23 -0.919 11.854 27.065 1.00 0.00 C ATOM 359 CD2 PHE A 23 0.313 13.618 28.185 1.00 0.00 C ATOM 360 CE1 PHE A 23 0.285 11.202 26.771 1.00 0.00 C ATOM 361 CE2 PHE A 23 1.515 12.965 27.891 1.00 0.00 C ATOM 362 CZ PHE A 23 1.502 11.757 27.184 1.00 0.00 C ATOM 0 H PHE A 23 -4.254 12.680 26.996 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.556 11.963 29.250 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.682 14.135 27.198 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.032 14.613 28.753 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.858 11.425 26.747 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.324 14.550 28.730 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.275 10.270 26.225 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.454 13.393 28.210 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.430 11.254 26.957 1.00 0.00 H new ATOM 372 N THR A 24 -5.065 14.085 29.784 1.00 0.00 N ATOM 373 CA THR A 24 -5.759 14.752 30.909 1.00 0.00 C ATOM 374 C THR A 24 -6.308 13.798 32.005 1.00 0.00 C ATOM 375 O THR A 24 -6.264 14.137 33.187 1.00 0.00 O ATOM 376 CB THR A 24 -6.882 15.661 30.371 1.00 0.00 C ATOM 377 OG1 THR A 24 -6.299 16.753 29.673 1.00 0.00 O ATOM 378 CG2 THR A 24 -7.727 16.201 31.529 1.00 0.00 C ATOM 0 H THR A 24 -5.521 14.184 28.877 1.00 0.00 H new ATOM 0 HA THR A 24 -4.995 15.344 31.412 1.00 0.00 H new ATOM 0 HB THR A 24 -7.521 15.083 29.703 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.007 17.335 29.326 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.516 16.841 31.136 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.173 15.368 32.073 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.094 16.778 32.203 1.00 0.00 H new ATOM 386 N PRO A 25 -6.851 12.656 31.650 1.00 0.00 N ATOM 387 CA PRO A 25 -7.453 11.683 32.621 1.00 0.00 C ATOM 388 C PRO A 25 -6.633 11.426 33.884 1.00 0.00 C ATOM 389 O PRO A 25 -7.197 11.009 34.887 1.00 0.00 O ATOM 390 CB PRO A 25 -7.571 10.400 31.799 1.00 0.00 C ATOM 391 CG PRO A 25 -7.819 10.880 30.418 1.00 0.00 C ATOM 392 CD PRO A 25 -6.993 12.161 30.276 1.00 0.00 C ATOM 0 HA PRO A 25 -8.392 12.075 33.012 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.660 9.804 31.857 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -8.387 9.771 32.156 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.516 10.134 29.683 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.879 11.076 30.255 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.022 11.960 29.823 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.496 12.890 29.641 1.00 0.00 H new ATOM 400 N VAL A 26 -5.332 11.677 33.874 1.00 0.00 N ATOM 401 CA VAL A 26 -4.545 11.454 35.085 1.00 0.00 C ATOM 402 C VAL A 26 -5.070 12.333 36.226 1.00 0.00 C ATOM 403 O VAL A 26 -5.172 11.881 37.361 1.00 0.00 O ATOM 404 CB VAL A 26 -3.069 11.773 34.814 1.00 0.00 C ATOM 405 CG1 VAL A 26 -2.279 11.752 36.126 1.00 0.00 C ATOM 406 CG2 VAL A 26 -2.490 10.727 33.859 1.00 0.00 C ATOM 0 H VAL A 26 -4.809 12.024 33.070 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.636 10.408 35.377 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.995 12.764 34.366 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.232 11.979 35.924 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.687 12.497 36.809 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.354 10.764 36.580 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.441 10.952 33.665 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.572 9.738 34.310 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.044 10.745 32.921 1.00 0.00 H new ATOM 416 N LEU A 27 -5.348 13.597 35.932 1.00 0.00 N ATOM 417 CA LEU A 27 -5.797 14.557 36.945 1.00 0.00 C ATOM 418 C LEU A 27 -6.949 14.016 37.809 1.00 0.00 C ATOM 419 O LEU A 27 -7.129 14.445 38.949 1.00 0.00 O ATOM 420 CB LEU A 27 -6.271 15.842 36.229 1.00 0.00 C ATOM 421 CG LEU A 27 -5.083 16.773 35.917 1.00 0.00 C ATOM 422 CD1 LEU A 27 -4.469 17.341 37.214 1.00 0.00 C ATOM 423 CD2 LEU A 27 -4.020 15.996 35.127 1.00 0.00 C ATOM 0 H LEU A 27 -5.271 13.988 34.993 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.956 14.753 37.610 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.784 15.579 35.304 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.993 16.366 36.855 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.444 17.611 35.320 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.633 17.994 36.965 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.225 17.909 37.756 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.115 16.521 37.839 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.179 16.653 34.905 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.673 15.149 35.719 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.453 15.633 34.195 1.00 0.00 H new ATOM 435 N VAL A 28 -7.729 13.090 37.263 1.00 0.00 N ATOM 436 CA VAL A 28 -8.866 12.511 37.987 1.00 0.00 C ATOM 437 C VAL A 28 -8.406 11.629 39.153 1.00 0.00 C ATOM 438 O VAL A 28 -9.095 11.510 40.167 1.00 0.00 O ATOM 439 CB VAL A 28 -9.751 11.691 37.024 1.00 0.00 C ATOM 440 CG1 VAL A 28 -9.154 10.284 36.789 1.00 0.00 C ATOM 441 CG2 VAL A 28 -11.163 11.559 37.613 1.00 0.00 C ATOM 0 H VAL A 28 -7.599 12.721 36.321 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.447 13.336 38.400 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.796 12.211 36.067 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.796 9.726 36.107 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.159 10.379 36.355 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -9.086 9.754 37.739 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.788 10.980 36.933 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.109 11.053 38.577 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.595 12.551 37.748 1.00 0.00 H new ATOM 451 N ILE A 29 -7.235 11.024 38.997 1.00 0.00 N ATOM 452 CA ILE A 29 -6.682 10.165 40.042 1.00 0.00 C ATOM 453 C ILE A 29 -6.545 10.930 41.358 1.00 0.00 C ATOM 454 O ILE A 29 -6.722 10.344 42.424 1.00 0.00 O ATOM 455 CB ILE A 29 -5.314 9.586 39.623 1.00 0.00 C ATOM 456 CG1 ILE A 29 -4.216 10.690 39.673 1.00 0.00 C ATOM 457 CG2 ILE A 29 -5.411 8.994 38.207 1.00 0.00 C ATOM 458 CD1 ILE A 29 -3.414 10.601 40.980 1.00 0.00 C ATOM 0 H ILE A 29 -6.652 11.110 38.164 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.376 9.337 40.188 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.037 8.796 40.321 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.545 10.581 38.821 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.679 11.674 39.591 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.443 8.587 37.916 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.157 8.200 38.195 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.702 9.776 37.505 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.653 11.381 40.994 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.085 10.734 41.828 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.934 9.625 41.047 1.00 0.00 H new ATOM 470 N LEU A 30 -6.241 12.223 41.310 1.00 0.00 N ATOM 471 CA LEU A 30 -6.102 12.998 42.542 1.00 0.00 C ATOM 472 C LEU A 30 -7.382 12.912 43.381 1.00 0.00 C ATOM 473 O LEU A 30 -7.315 12.610 44.572 1.00 0.00 O ATOM 474 CB LEU A 30 -5.792 14.465 42.185 1.00 0.00 C ATOM 475 CG LEU A 30 -4.974 15.140 43.296 1.00 0.00 C ATOM 476 CD1 LEU A 30 -4.753 16.612 42.937 1.00 0.00 C ATOM 477 CD2 LEU A 30 -5.717 15.040 44.634 1.00 0.00 C ATOM 0 H LEU A 30 -6.088 12.750 40.450 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.284 12.588 43.134 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.240 14.506 41.246 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.723 15.010 42.031 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.012 14.637 43.390 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.173 17.095 43.723 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.212 16.679 41.993 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.717 17.111 42.839 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.128 15.522 45.414 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.684 15.536 44.551 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.868 13.991 44.889 1.00 0.00 H new ATOM 489 N LEU A 31 -8.539 13.213 42.805 1.00 0.00 N ATOM 490 CA LEU A 31 -9.768 13.192 43.595 1.00 0.00 C ATOM 491 C LEU A 31 -9.973 11.823 44.236 1.00 0.00 C ATOM 492 O LEU A 31 -10.365 11.705 45.397 1.00 0.00 O ATOM 493 CB LEU A 31 -10.958 13.473 42.670 1.00 0.00 C ATOM 494 CG LEU A 31 -10.928 14.933 42.191 1.00 0.00 C ATOM 495 CD1 LEU A 31 -11.982 15.117 41.093 1.00 0.00 C ATOM 496 CD2 LEU A 31 -11.222 15.897 43.362 1.00 0.00 C ATOM 0 H LEU A 31 -8.655 13.468 41.824 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.693 13.948 44.377 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.927 12.801 41.812 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.892 13.275 43.197 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.936 15.161 41.800 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.969 16.150 40.746 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.759 14.451 40.259 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.968 14.881 41.492 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.196 16.925 43.002 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.208 15.681 43.772 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.469 15.766 44.139 1.00 0.00 H new ATOM 508 N GLY A 32 -9.665 10.797 43.453 1.00 0.00 N ATOM 509 CA GLY A 32 -9.772 9.419 43.923 1.00 0.00 C ATOM 510 C GLY A 32 -8.814 9.190 45.091 1.00 0.00 C ATOM 511 O GLY A 32 -9.178 8.616 46.113 1.00 0.00 O ATOM 0 H GLY A 32 -9.339 10.891 42.491 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.795 9.211 44.235 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.540 8.730 43.111 1.00 0.00 H new ATOM 515 N VAL A 33 -7.600 9.706 44.930 1.00 0.00 N ATOM 516 CA VAL A 33 -6.617 9.604 46.010 1.00 0.00 C ATOM 517 C VAL A 33 -7.250 10.246 47.250 1.00 0.00 C ATOM 518 O VAL A 33 -7.257 9.655 48.331 1.00 0.00 O ATOM 519 CB VAL A 33 -5.304 10.309 45.644 1.00 0.00 C ATOM 520 CG1 VAL A 33 -4.413 10.411 46.887 1.00 0.00 C ATOM 521 CG2 VAL A 33 -4.570 9.499 44.568 1.00 0.00 C ATOM 0 H VAL A 33 -7.276 10.186 44.090 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.365 8.560 46.194 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.525 11.307 45.267 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.481 10.912 46.626 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.929 10.983 47.658 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.195 9.411 47.262 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.637 10.000 44.308 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.352 8.501 44.949 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.198 9.419 43.681 1.00 0.00 H new ATOM 531 N VAL A 34 -7.772 11.459 47.083 1.00 0.00 N ATOM 532 CA VAL A 34 -8.396 12.169 48.202 1.00 0.00 C ATOM 533 C VAL A 34 -9.548 11.324 48.751 1.00 0.00 C ATOM 534 O VAL A 34 -9.735 11.177 49.957 1.00 0.00 O ATOM 535 CB VAL A 34 -8.928 13.527 47.724 1.00 0.00 C ATOM 536 CG1 VAL A 34 -9.786 14.167 48.823 1.00 0.00 C ATOM 537 CG2 VAL A 34 -7.746 14.449 47.397 1.00 0.00 C ATOM 0 H VAL A 34 -7.777 11.967 46.198 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.658 12.336 48.987 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.538 13.381 46.833 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -10.160 15.131 48.477 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.627 13.513 49.055 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.181 14.313 49.718 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.121 15.414 47.057 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.137 14.590 48.290 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.139 13.998 46.611 1.00 0.00 H new ATOM 547 N GLY A 35 -10.298 10.768 47.814 1.00 0.00 N ATOM 548 CA GLY A 35 -11.429 9.912 48.160 1.00 0.00 C ATOM 549 C GLY A 35 -10.913 8.734 48.985 1.00 0.00 C ATOM 550 O GLY A 35 -11.480 8.375 50.019 1.00 0.00 O ATOM 0 H GLY A 35 -10.149 10.891 46.813 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.170 10.475 48.727 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.923 9.554 47.257 1.00 0.00 H new ATOM 554 N LEU A 36 -9.814 8.164 48.514 1.00 0.00 N ATOM 555 CA LEU A 36 -9.157 7.041 49.175 1.00 0.00 C ATOM 556 C LEU A 36 -8.517 7.492 50.491 1.00 0.00 C ATOM 557 O LEU A 36 -8.495 6.755 51.472 1.00 0.00 O ATOM 558 CB LEU A 36 -8.081 6.467 48.242 1.00 0.00 C ATOM 559 CG LEU A 36 -7.406 5.241 48.876 1.00 0.00 C ATOM 560 CD1 LEU A 36 -8.438 4.124 49.112 1.00 0.00 C ATOM 561 CD2 LEU A 36 -6.308 4.736 47.932 1.00 0.00 C ATOM 0 H LEU A 36 -9.349 8.467 47.658 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.899 6.275 49.398 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.531 6.188 47.289 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.333 7.230 48.030 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.974 5.523 49.836 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.945 3.262 49.562 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.219 4.485 49.781 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.882 3.832 48.160 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.822 3.865 48.372 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.750 4.460 46.975 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.571 5.524 47.777 1.00 0.00 H new ATOM 573 N SER A 37 -8.045 8.734 50.498 1.00 0.00 N ATOM 574 CA SER A 37 -7.458 9.311 51.710 1.00 0.00 C ATOM 575 C SER A 37 -8.539 9.354 52.796 1.00 0.00 C ATOM 576 O SER A 37 -8.308 9.043 53.957 1.00 0.00 O ATOM 577 CB SER A 37 -6.912 10.714 51.445 1.00 0.00 C ATOM 578 OG SER A 37 -5.836 10.630 50.519 1.00 0.00 O ATOM 0 H SER A 37 -8.055 9.357 49.690 1.00 0.00 H new ATOM 0 HA SER A 37 -6.621 8.694 52.037 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.700 11.355 51.048 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.572 11.167 52.376 1.00 0.00 H new ATOM 0 HG SER A 37 -6.168 10.290 49.662 1.00 0.00 H new ATOM 584 N ALA A 38 -9.739 9.691 52.397 1.00 0.00 N ATOM 585 CA ALA A 38 -10.835 9.714 53.347 1.00 0.00 C ATOM 586 C ALA A 38 -10.970 8.324 53.967 1.00 0.00 C ATOM 587 O ALA A 38 -11.237 8.194 55.161 1.00 0.00 O ATOM 588 CB ALA A 38 -12.138 10.116 52.657 1.00 0.00 C ATOM 0 H ALA A 38 -9.985 9.949 51.441 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.629 10.449 54.125 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.948 10.127 53.387 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.028 11.109 52.222 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.369 9.399 51.870 1.00 0.00 H new ATOM 594 N LEU A 39 -10.764 7.292 53.157 1.00 0.00 N ATOM 595 CA LEU A 39 -10.855 5.928 53.676 1.00 0.00 C ATOM 596 C LEU A 39 -9.577 5.517 54.444 1.00 0.00 C ATOM 597 O LEU A 39 -9.650 5.016 55.566 1.00 0.00 O ATOM 598 CB LEU A 39 -11.047 4.962 52.505 1.00 0.00 C ATOM 599 CG LEU A 39 -12.279 5.365 51.680 1.00 0.00 C ATOM 600 CD1 LEU A 39 -12.432 4.401 50.497 1.00 0.00 C ATOM 601 CD2 LEU A 39 -13.546 5.316 52.553 1.00 0.00 C ATOM 0 H LEU A 39 -10.539 7.366 52.165 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.698 5.888 54.365 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.160 4.966 51.872 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.168 3.945 52.879 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.146 6.383 51.313 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.305 4.683 49.908 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.541 4.449 49.871 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.559 3.385 50.870 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.411 5.604 51.955 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.688 4.304 52.932 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.438 6.005 53.390 1.00 0.00 H new ATOM 613 N THR A 40 -8.419 5.665 53.779 1.00 0.00 N ATOM 614 CA THR A 40 -7.115 5.237 54.328 1.00 0.00 C ATOM 615 C THR A 40 -6.194 6.395 54.760 1.00 0.00 C ATOM 616 O THR A 40 -5.259 6.212 55.538 1.00 0.00 O ATOM 617 CB THR A 40 -6.389 4.490 53.196 1.00 0.00 C ATOM 618 OG1 THR A 40 -7.319 3.648 52.531 1.00 0.00 O ATOM 619 CG2 THR A 40 -5.256 3.637 53.774 1.00 0.00 C ATOM 0 H THR A 40 -8.357 6.082 52.850 1.00 0.00 H new ATOM 0 HA THR A 40 -7.316 4.640 55.217 1.00 0.00 H new ATOM 0 HB THR A 40 -5.969 5.212 52.496 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.866 3.169 51.806 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.747 3.112 52.966 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.545 4.280 54.293 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.668 2.912 54.475 1.00 0.00 H new ATOM 627 N GLY A 41 -6.532 7.582 54.285 1.00 0.00 N ATOM 628 CA GLY A 41 -5.801 8.803 54.652 1.00 0.00 C ATOM 629 C GLY A 41 -4.312 8.750 54.339 1.00 0.00 C ATOM 630 O GLY A 41 -3.513 8.280 55.148 1.00 0.00 O ATOM 0 H GLY A 41 -7.309 7.736 53.642 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.242 9.650 54.127 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.931 8.986 55.719 1.00 0.00 H new ATOM 634 N TYR A 42 -3.940 9.266 53.170 1.00 0.00 N ATOM 635 CA TYR A 42 -2.549 9.325 52.734 1.00 0.00 C ATOM 636 C TYR A 42 -2.159 10.798 52.584 1.00 0.00 C ATOM 637 O TYR A 42 -1.222 11.141 51.862 1.00 0.00 O ATOM 638 CB TYR A 42 -2.426 8.596 51.363 1.00 0.00 C ATOM 639 CG TYR A 42 -1.419 7.461 51.457 1.00 0.00 C ATOM 640 CD1 TYR A 42 -1.596 6.450 52.408 1.00 0.00 C ATOM 641 CD2 TYR A 42 -0.306 7.434 50.607 1.00 0.00 C ATOM 642 CE1 TYR A 42 -0.663 5.412 52.510 1.00 0.00 C ATOM 643 CE2 TYR A 42 0.627 6.396 50.708 1.00 0.00 C ATOM 644 CZ TYR A 42 0.449 5.384 51.661 1.00 0.00 C ATOM 645 OH TYR A 42 1.370 4.361 51.761 1.00 0.00 O ATOM 0 H TYR A 42 -4.599 9.656 52.496 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.890 8.843 53.456 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -3.398 8.205 51.063 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.116 9.303 50.594 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.454 6.471 53.064 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.168 8.215 49.873 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -0.801 4.632 53.244 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.484 6.375 50.052 1.00 0.00 H new ATOM 0 HH TYR A 42 2.079 4.493 51.097 1.00 0.00 H new ATOM 655 N LEU A 43 -2.920 11.660 53.255 1.00 0.00 N ATOM 656 CA LEU A 43 -2.724 13.106 53.208 1.00 0.00 C ATOM 657 C LEU A 43 -1.269 13.532 53.374 1.00 0.00 C ATOM 658 O LEU A 43 -0.708 14.222 52.528 1.00 0.00 O ATOM 659 CB LEU A 43 -3.447 13.669 54.438 1.00 0.00 C ATOM 660 CG LEU A 43 -4.951 13.353 54.379 1.00 0.00 C ATOM 661 CD1 LEU A 43 -5.605 13.816 55.684 1.00 0.00 C ATOM 662 CD2 LEU A 43 -5.611 14.079 53.188 1.00 0.00 C ATOM 0 H LEU A 43 -3.696 11.372 53.851 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.081 13.459 52.241 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.017 13.244 55.345 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.299 14.748 54.490 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.086 12.279 54.249 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.672 13.597 55.654 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.151 13.292 56.525 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.458 14.889 55.804 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.675 13.843 53.163 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.480 15.155 53.300 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.145 13.752 52.259 1.00 0.00 H new ATOM 674 N ASP A 44 -0.676 13.111 54.485 1.00 0.00 N ATOM 675 CA ASP A 44 0.715 13.448 54.775 1.00 0.00 C ATOM 676 C ASP A 44 1.636 12.825 53.730 1.00 0.00 C ATOM 677 O ASP A 44 2.594 13.459 53.289 1.00 0.00 O ATOM 678 CB ASP A 44 1.105 12.998 56.184 1.00 0.00 C ATOM 679 CG ASP A 44 2.536 13.417 56.499 1.00 0.00 C ATOM 680 OD1 ASP A 44 3.118 14.133 55.702 1.00 0.00 O ATOM 681 OD2 ASP A 44 3.030 13.013 57.540 1.00 0.00 O ATOM 0 H ASP A 44 -1.132 12.539 55.196 1.00 0.00 H new ATOM 0 HA ASP A 44 0.824 14.532 54.731 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.423 13.434 56.914 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.010 11.915 56.266 1.00 0.00 H new ATOM 686 N TYR A 45 1.358 11.588 53.343 1.00 0.00 N ATOM 687 CA TYR A 45 2.198 10.921 52.356 1.00 0.00 C ATOM 688 C TYR A 45 2.290 11.758 51.077 1.00 0.00 C ATOM 689 O TYR A 45 3.356 11.823 50.489 1.00 0.00 O ATOM 690 CB TYR A 45 1.636 9.528 52.030 1.00 0.00 C ATOM 691 CG TYR A 45 2.063 8.534 53.088 1.00 0.00 C ATOM 692 CD1 TYR A 45 3.292 7.875 52.961 1.00 0.00 C ATOM 693 CD2 TYR A 45 1.236 8.268 54.186 1.00 0.00 C ATOM 694 CE1 TYR A 45 3.693 6.950 53.933 1.00 0.00 C ATOM 695 CE2 TYR A 45 1.638 7.342 55.156 1.00 0.00 C ATOM 696 CZ TYR A 45 2.866 6.683 55.030 1.00 0.00 C ATOM 697 OH TYR A 45 3.262 5.771 55.987 1.00 0.00 O ATOM 0 H TYR A 45 0.574 11.034 53.688 1.00 0.00 H new ATOM 0 HA TYR A 45 3.198 10.810 52.776 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.548 9.570 51.977 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.991 9.204 51.051 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.930 8.080 52.114 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.289 8.777 54.285 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.641 6.442 53.836 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.000 7.136 56.002 1.00 0.00 H new ATOM 0 HH TYR A 45 2.573 5.705 56.681 1.00 0.00 H new ATOM 707 N VAL A 46 1.148 12.332 50.655 1.00 0.00 N ATOM 708 CA VAL A 46 0.992 13.147 49.416 1.00 0.00 C ATOM 709 C VAL A 46 2.269 13.763 48.804 1.00 0.00 C ATOM 710 O VAL A 46 2.248 14.166 47.640 1.00 0.00 O ATOM 711 CB VAL A 46 0.007 14.286 49.701 1.00 0.00 C ATOM 712 CG1 VAL A 46 0.677 15.328 50.605 1.00 0.00 C ATOM 713 CG2 VAL A 46 -0.418 14.953 48.387 1.00 0.00 C ATOM 0 H VAL A 46 0.276 12.244 51.177 1.00 0.00 H new ATOM 0 HA VAL A 46 0.645 12.432 48.671 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.873 13.879 50.198 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.024 16.138 50.808 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.971 14.859 51.544 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.560 15.728 50.107 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.118 15.761 48.599 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.460 15.356 47.883 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.899 14.216 47.744 1.00 0.00 H new ATOM 723 N LEU A 47 3.373 13.803 49.529 1.00 0.00 N ATOM 724 CA LEU A 47 4.622 14.332 48.973 1.00 0.00 C ATOM 725 C LEU A 47 5.413 13.205 48.276 1.00 0.00 C ATOM 726 O LEU A 47 5.894 13.349 47.152 1.00 0.00 O ATOM 727 CB LEU A 47 5.456 14.955 50.111 1.00 0.00 C ATOM 728 CG LEU A 47 6.368 16.070 49.574 1.00 0.00 C ATOM 729 CD1 LEU A 47 7.049 16.774 50.751 1.00 0.00 C ATOM 730 CD2 LEU A 47 7.433 15.479 48.638 1.00 0.00 C ATOM 0 H LEU A 47 3.438 13.481 50.495 1.00 0.00 H new ATOM 0 HA LEU A 47 4.398 15.098 48.231 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.792 15.359 50.875 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.060 14.184 50.589 1.00 0.00 H new ATOM 0 HG LEU A 47 5.768 16.787 49.013 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.697 17.566 50.376 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.291 17.205 51.405 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.644 16.053 51.311 1.00 0.00 H new ATOM 0 HD21 LEU A 47 8.073 16.278 48.264 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.038 14.756 49.186 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.945 14.982 47.799 1.00 0.00 H new ATOM 742 N LEU A 48 5.517 12.085 48.985 1.00 0.00 N ATOM 743 CA LEU A 48 6.229 10.896 48.486 1.00 0.00 C ATOM 744 C LEU A 48 5.630 10.318 47.179 1.00 0.00 C ATOM 745 O LEU A 48 6.391 9.990 46.269 1.00 0.00 O ATOM 746 CB LEU A 48 6.296 9.805 49.568 1.00 0.00 C ATOM 747 CG LEU A 48 7.370 10.158 50.604 1.00 0.00 C ATOM 748 CD1 LEU A 48 7.037 11.500 51.262 1.00 0.00 C ATOM 749 CD2 LEU A 48 7.426 9.061 51.672 1.00 0.00 C ATOM 0 H LEU A 48 5.116 11.968 49.916 1.00 0.00 H new ATOM 0 HA LEU A 48 7.237 11.232 48.243 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.327 9.706 50.056 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.523 8.842 49.111 1.00 0.00 H new ATOM 0 HG LEU A 48 8.338 10.235 50.109 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.804 11.745 51.997 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.001 12.280 50.501 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.068 11.432 51.757 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.189 9.310 52.410 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.457 8.983 52.165 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.672 8.109 51.203 1.00 0.00 H new ATOM 761 N PRO A 49 4.329 10.161 47.044 1.00 0.00 N ATOM 762 CA PRO A 49 3.735 9.584 45.799 1.00 0.00 C ATOM 763 C PRO A 49 3.888 10.513 44.594 1.00 0.00 C ATOM 764 O PRO A 49 3.927 10.056 43.452 1.00 0.00 O ATOM 765 CB PRO A 49 2.264 9.340 46.165 1.00 0.00 C ATOM 766 CG PRO A 49 1.972 10.321 47.251 1.00 0.00 C ATOM 767 CD PRO A 49 3.289 10.519 48.016 1.00 0.00 C ATOM 0 HA PRO A 49 4.240 8.669 45.489 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.612 9.496 45.306 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.106 8.316 46.504 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.616 11.265 46.838 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.190 9.948 47.912 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.400 11.548 48.357 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.335 9.883 48.900 1.00 0.00 H new ATOM 775 N ALA A 50 4.009 11.813 44.856 1.00 0.00 N ATOM 776 CA ALA A 50 4.199 12.803 43.800 1.00 0.00 C ATOM 777 C ALA A 50 5.608 12.712 43.225 1.00 0.00 C ATOM 778 O ALA A 50 5.818 12.985 42.043 1.00 0.00 O ATOM 779 CB ALA A 50 3.952 14.208 44.350 1.00 0.00 C ATOM 0 H ALA A 50 3.978 12.206 45.797 1.00 0.00 H new ATOM 0 HA ALA A 50 3.485 12.598 43.003 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.096 14.940 43.556 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.931 14.277 44.727 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.652 14.410 45.161 1.00 0.00 H new ATOM 785 N LEU A 51 6.568 12.304 44.046 1.00 0.00 N ATOM 786 CA LEU A 51 7.937 12.160 43.569 1.00 0.00 C ATOM 787 C LEU A 51 7.979 11.066 42.510 1.00 0.00 C ATOM 788 O LEU A 51 8.654 11.183 41.490 1.00 0.00 O ATOM 789 CB LEU A 51 8.867 11.785 44.727 1.00 0.00 C ATOM 790 CG LEU A 51 9.006 12.965 45.703 1.00 0.00 C ATOM 791 CD1 LEU A 51 9.775 12.498 46.946 1.00 0.00 C ATOM 792 CD2 LEU A 51 9.761 14.134 45.034 1.00 0.00 C ATOM 0 H LEU A 51 6.428 12.071 45.029 1.00 0.00 H new ATOM 0 HA LEU A 51 8.271 13.106 43.144 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.473 10.915 45.252 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.847 11.507 44.340 1.00 0.00 H new ATOM 0 HG LEU A 51 8.013 13.312 45.988 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.878 13.329 47.644 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.230 11.686 47.427 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.764 12.147 46.651 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.850 14.960 45.739 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.756 13.802 44.736 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.211 14.466 44.154 1.00 0.00 H new ATOM 804 N ALA A 52 7.207 10.016 42.763 1.00 0.00 N ATOM 805 CA ALA A 52 7.112 8.905 41.825 1.00 0.00 C ATOM 806 C ALA A 52 6.584 9.421 40.489 1.00 0.00 C ATOM 807 O ALA A 52 7.077 9.038 39.428 1.00 0.00 O ATOM 808 CB ALA A 52 6.184 7.819 42.373 1.00 0.00 C ATOM 0 H ALA A 52 6.641 9.911 43.605 1.00 0.00 H new ATOM 0 HA ALA A 52 8.101 8.469 41.684 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.125 6.997 41.660 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.576 7.450 43.321 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.189 8.236 42.530 1.00 0.00 H new ATOM 814 N ILE A 53 5.596 10.310 40.544 1.00 0.00 N ATOM 815 CA ILE A 53 5.036 10.885 39.324 1.00 0.00 C ATOM 816 C ILE A 53 6.102 11.674 38.565 1.00 0.00 C ATOM 817 O ILE A 53 6.280 11.455 37.366 1.00 0.00 O ATOM 818 CB ILE A 53 3.861 11.806 39.669 1.00 0.00 C ATOM 819 CG1 ILE A 53 2.726 10.993 40.322 1.00 0.00 C ATOM 820 CG2 ILE A 53 3.349 12.494 38.399 1.00 0.00 C ATOM 821 CD1 ILE A 53 2.254 9.855 39.404 1.00 0.00 C ATOM 0 H ILE A 53 5.171 10.645 41.409 1.00 0.00 H new ATOM 0 HA ILE A 53 4.683 10.072 38.690 1.00 0.00 H new ATOM 0 HB ILE A 53 4.200 12.565 40.373 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.071 10.579 41.270 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.888 11.652 40.548 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.514 13.147 38.651 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.151 13.085 37.957 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.017 11.740 37.685 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.453 9.301 39.894 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.886 10.272 38.467 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.088 9.183 39.199 1.00 0.00 H new ATOM 833 N PHE A 54 6.814 12.583 39.223 1.00 0.00 N ATOM 834 CA PHE A 54 7.837 13.353 38.521 1.00 0.00 C ATOM 835 C PHE A 54 8.889 12.416 37.939 1.00 0.00 C ATOM 836 O PHE A 54 9.349 12.612 36.816 1.00 0.00 O ATOM 837 CB PHE A 54 8.498 14.356 39.469 1.00 0.00 C ATOM 838 CG PHE A 54 7.528 15.474 39.772 1.00 0.00 C ATOM 839 CD1 PHE A 54 7.191 16.392 38.770 1.00 0.00 C ATOM 840 CD2 PHE A 54 6.967 15.595 41.049 1.00 0.00 C ATOM 841 CE1 PHE A 54 6.292 17.431 39.045 1.00 0.00 C ATOM 842 CE2 PHE A 54 6.068 16.633 41.323 1.00 0.00 C ATOM 843 CZ PHE A 54 5.731 17.551 40.322 1.00 0.00 C ATOM 0 H PHE A 54 6.708 12.802 40.214 1.00 0.00 H new ATOM 0 HA PHE A 54 7.361 13.903 37.709 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.797 13.859 40.392 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.404 14.759 39.016 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.624 16.299 37.785 1.00 0.00 H new ATOM 0 HD2 PHE A 54 7.228 14.888 41.823 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.032 18.139 38.272 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.634 16.725 42.308 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.038 18.352 40.535 1.00 0.00 H new ATOM 853 N ILE A 55 9.231 11.377 38.683 1.00 0.00 N ATOM 854 CA ILE A 55 10.191 10.394 38.198 1.00 0.00 C ATOM 855 C ILE A 55 9.601 9.673 36.989 1.00 0.00 C ATOM 856 O ILE A 55 10.275 9.421 35.991 1.00 0.00 O ATOM 857 CB ILE A 55 10.505 9.382 39.306 1.00 0.00 C ATOM 858 CG1 ILE A 55 11.303 10.077 40.412 1.00 0.00 C ATOM 859 CG2 ILE A 55 11.337 8.230 38.734 1.00 0.00 C ATOM 860 CD1 ILE A 55 11.360 9.176 41.648 1.00 0.00 C ATOM 0 H ILE A 55 8.864 11.192 39.616 1.00 0.00 H new ATOM 0 HA ILE A 55 11.114 10.897 37.909 1.00 0.00 H new ATOM 0 HB ILE A 55 9.572 8.989 39.711 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.312 10.297 40.063 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.839 11.030 40.665 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.558 7.513 39.525 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.776 7.735 37.941 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.270 8.621 38.328 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.929 9.673 42.434 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.348 8.979 42.001 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.844 8.234 41.390 1.00 0.00 H new ATOM 872 N GLY A 56 8.312 9.368 37.110 1.00 0.00 N ATOM 873 CA GLY A 56 7.573 8.695 36.047 1.00 0.00 C ATOM 874 C GLY A 56 7.506 9.561 34.790 1.00 0.00 C ATOM 875 O GLY A 56 7.668 9.067 33.674 1.00 0.00 O ATOM 0 H GLY A 56 7.755 9.578 37.939 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.052 7.744 35.812 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.564 8.467 36.390 1.00 0.00 H new ATOM 879 N LEU A 57 7.269 10.860 34.979 1.00 0.00 N ATOM 880 CA LEU A 57 7.192 11.772 33.838 1.00 0.00 C ATOM 881 C LEU A 57 8.529 11.795 33.103 1.00 0.00 C ATOM 882 O LEU A 57 8.578 11.682 31.882 1.00 0.00 O ATOM 883 CB LEU A 57 6.826 13.188 34.301 1.00 0.00 C ATOM 884 CG LEU A 57 5.364 13.225 34.779 1.00 0.00 C ATOM 885 CD1 LEU A 57 5.081 14.583 35.432 1.00 0.00 C ATOM 886 CD2 LEU A 57 4.398 13.011 33.593 1.00 0.00 C ATOM 0 H LEU A 57 7.130 11.297 35.890 1.00 0.00 H new ATOM 0 HA LEU A 57 6.414 11.417 33.162 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.489 13.498 35.109 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.968 13.895 33.483 1.00 0.00 H new ATOM 0 HG LEU A 57 5.209 12.424 35.502 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.046 14.614 35.773 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.747 14.723 36.283 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.248 15.378 34.705 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.369 13.041 33.952 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.548 13.799 32.855 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.594 12.042 33.134 1.00 0.00 H new ATOM 898 N THR A 58 9.608 11.979 33.843 1.00 0.00 N ATOM 899 CA THR A 58 10.919 12.051 33.212 1.00 0.00 C ATOM 900 C THR A 58 11.132 10.849 32.295 1.00 0.00 C ATOM 901 O THR A 58 11.682 10.982 31.208 1.00 0.00 O ATOM 902 CB THR A 58 12.013 12.073 34.284 1.00 0.00 C ATOM 903 OG1 THR A 58 11.872 10.939 35.128 1.00 0.00 O ATOM 904 CG2 THR A 58 11.901 13.353 35.117 1.00 0.00 C ATOM 0 H THR A 58 9.608 12.080 34.858 1.00 0.00 H new ATOM 0 HA THR A 58 10.970 12.965 32.620 1.00 0.00 H new ATOM 0 HB THR A 58 12.990 12.047 33.801 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.933 10.659 35.146 1.00 0.00 H new ATOM 0 HG21 THR A 58 12.682 13.362 35.877 1.00 0.00 H new ATOM 0 HG22 THR A 58 12.017 14.221 34.468 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.924 13.389 35.600 1.00 0.00 H new ATOM 912 N ILE A 59 10.645 9.690 32.736 1.00 0.00 N ATOM 913 CA ILE A 59 10.745 8.466 31.933 1.00 0.00 C ATOM 914 C ILE A 59 9.940 8.617 30.634 1.00 0.00 C ATOM 915 O ILE A 59 10.418 8.243 29.562 1.00 0.00 O ATOM 916 CB ILE A 59 10.266 7.248 32.729 1.00 0.00 C ATOM 917 CG1 ILE A 59 11.247 6.979 33.874 1.00 0.00 C ATOM 918 CG2 ILE A 59 10.210 6.023 31.811 1.00 0.00 C ATOM 919 CD1 ILE A 59 10.661 5.937 34.829 1.00 0.00 C ATOM 0 H ILE A 59 10.181 9.570 33.636 1.00 0.00 H new ATOM 0 HA ILE A 59 11.793 8.307 31.677 1.00 0.00 H new ATOM 0 HB ILE A 59 9.272 7.443 33.132 1.00 0.00 H new ATOM 0 HG12 ILE A 59 12.197 6.625 33.474 1.00 0.00 H new ATOM 0 HG13 ILE A 59 11.453 7.904 34.413 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.869 5.158 32.379 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.518 6.214 30.991 1.00 0.00 H new ATOM 0 HG23 ILE A 59 11.203 5.824 31.409 1.00 0.00 H new ATOM 0 HD11 ILE A 59 11.364 5.751 35.641 1.00 0.00 H new ATOM 0 HD12 ILE A 59 9.722 6.308 35.240 1.00 0.00 H new ATOM 0 HD13 ILE A 59 10.478 5.009 34.287 1.00 0.00 H new ATOM 931 N TYR A 60 8.725 9.148 30.726 1.00 0.00 N ATOM 932 CA TYR A 60 7.882 9.316 29.538 1.00 0.00 C ATOM 933 C TYR A 60 8.663 9.973 28.386 1.00 0.00 C ATOM 934 O TYR A 60 8.414 9.665 27.221 1.00 0.00 O ATOM 935 CB TYR A 60 6.612 10.133 29.890 1.00 0.00 C ATOM 936 CG TYR A 60 6.094 10.879 28.671 1.00 0.00 C ATOM 937 CD1 TYR A 60 5.419 10.197 27.652 1.00 0.00 C ATOM 938 CD2 TYR A 60 6.313 12.258 28.565 1.00 0.00 C ATOM 939 CE1 TYR A 60 4.964 10.894 26.526 1.00 0.00 C ATOM 940 CE2 TYR A 60 5.857 12.954 27.440 1.00 0.00 C ATOM 941 CZ TYR A 60 5.182 12.273 26.421 1.00 0.00 C ATOM 942 OH TYR A 60 4.734 12.961 25.311 1.00 0.00 O ATOM 0 H TYR A 60 8.302 9.467 31.598 1.00 0.00 H new ATOM 0 HA TYR A 60 7.572 8.328 29.198 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.838 9.465 30.269 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.839 10.842 30.686 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.249 9.134 27.734 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.834 12.784 29.351 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.445 10.368 25.739 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.026 14.018 27.358 1.00 0.00 H new ATOM 0 HH TYR A 60 4.966 13.909 25.398 1.00 0.00 H new ATOM 952 N ALA A 61 9.599 10.859 28.685 1.00 0.00 N ATOM 953 CA ALA A 61 10.394 11.512 27.645 1.00 0.00 C ATOM 954 C ALA A 61 11.390 10.557 26.967 1.00 0.00 C ATOM 955 O ALA A 61 11.750 10.773 25.810 1.00 0.00 O ATOM 956 CB ALA A 61 11.152 12.699 28.243 1.00 0.00 C ATOM 0 H ALA A 61 9.830 11.146 29.636 1.00 0.00 H new ATOM 0 HA ALA A 61 9.698 11.851 26.878 1.00 0.00 H new ATOM 0 HB1 ALA A 61 11.743 13.183 27.465 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.441 13.414 28.656 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.813 12.347 29.035 1.00 0.00 H new ATOM 962 N ILE A 62 11.836 9.510 27.660 1.00 0.00 N ATOM 963 CA ILE A 62 12.784 8.559 27.062 1.00 0.00 C ATOM 964 C ILE A 62 12.113 7.644 26.027 1.00 0.00 C ATOM 965 O ILE A 62 12.662 7.387 24.956 1.00 0.00 O ATOM 966 CB ILE A 62 13.434 7.702 28.169 1.00 0.00 C ATOM 967 CG1 ILE A 62 14.448 8.555 28.945 1.00 0.00 C ATOM 968 CG2 ILE A 62 14.167 6.500 27.556 1.00 0.00 C ATOM 969 CD1 ILE A 62 13.747 9.768 29.554 1.00 0.00 C ATOM 0 H ILE A 62 11.565 9.297 28.620 1.00 0.00 H new ATOM 0 HA ILE A 62 13.546 9.140 26.543 1.00 0.00 H new ATOM 0 HB ILE A 62 12.651 7.344 28.837 1.00 0.00 H new ATOM 0 HG12 ILE A 62 14.912 7.959 29.731 1.00 0.00 H new ATOM 0 HG13 ILE A 62 15.247 8.882 28.279 1.00 0.00 H new ATOM 0 HG21 ILE A 62 14.620 5.906 28.350 1.00 0.00 H new ATOM 0 HG22 ILE A 62 13.458 5.885 27.002 1.00 0.00 H new ATOM 0 HG23 ILE A 62 14.945 6.854 26.880 1.00 0.00 H new ATOM 0 HD11 ILE A 62 14.472 10.369 30.103 1.00 0.00 H new ATOM 0 HD12 ILE A 62 13.304 10.369 28.760 1.00 0.00 H new ATOM 0 HD13 ILE A 62 12.964 9.432 30.234 1.00 0.00 H new ATOM 981 N GLN A 63 10.925 7.155 26.375 1.00 0.00 N ATOM 982 CA GLN A 63 10.187 6.262 25.481 1.00 0.00 C ATOM 983 C GLN A 63 9.768 6.978 24.199 1.00 0.00 C ATOM 984 O GLN A 63 9.877 6.401 23.120 1.00 0.00 O ATOM 985 CB GLN A 63 8.960 5.659 26.182 1.00 0.00 C ATOM 986 CG GLN A 63 8.039 6.781 26.654 1.00 0.00 C ATOM 987 CD GLN A 63 6.780 6.214 27.302 1.00 0.00 C ATOM 988 OE1 GLN A 63 6.852 5.459 28.272 1.00 0.00 O ATOM 989 NE2 GLN A 63 5.615 6.569 26.835 1.00 0.00 N ATOM 0 H GLN A 63 10.456 7.358 27.258 1.00 0.00 H new ATOM 0 HA GLN A 63 10.861 5.449 25.211 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.426 4.999 25.499 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.275 5.052 27.031 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.566 7.414 27.367 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.765 7.412 25.809 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.557 7.195 26.031 1.00 0.00 H new ATOM 0 HE22 GLN A 63 4.762 6.221 27.273 1.00 0.00 H new ATOM 998 N ARG A 64 9.339 8.234 24.285 1.00 0.00 N ATOM 999 CA ARG A 64 8.984 8.944 23.059 1.00 0.00 C ATOM 1000 C ARG A 64 10.250 9.141 22.229 1.00 0.00 C ATOM 1001 O ARG A 64 10.291 8.789 21.078 1.00 0.00 O ATOM 1002 CB ARG A 64 8.361 10.306 23.402 1.00 0.00 C ATOM 1003 CG ARG A 64 6.901 10.125 23.864 1.00 0.00 C ATOM 1004 CD ARG A 64 5.957 10.106 22.654 1.00 0.00 C ATOM 1005 NE ARG A 64 5.864 11.440 22.073 1.00 0.00 N ATOM 1006 CZ ARG A 64 5.256 11.647 20.909 1.00 0.00 C ATOM 1007 NH1 ARG A 64 4.748 10.642 20.250 1.00 0.00 N ATOM 1008 NH2 ARG A 64 5.167 12.856 20.426 1.00 0.00 N ATOM 0 H ARG A 64 9.231 8.763 25.150 1.00 0.00 H new ATOM 0 HA ARG A 64 8.255 8.365 22.492 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.941 10.791 24.187 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.395 10.959 22.530 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.803 9.196 24.425 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.623 10.935 24.538 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.323 9.400 21.908 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.968 9.764 22.959 1.00 0.00 H new ATOM 0 HE ARG A 64 6.274 12.231 22.570 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.817 9.697 20.628 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.282 10.801 19.357 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.564 13.642 20.941 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.701 13.015 19.533 1.00 0.00 H new ATOM 1022 N LYS A 65 11.258 9.729 22.821 1.00 0.00 N ATOM 1023 CA LYS A 65 12.505 10.017 22.099 1.00 0.00 C ATOM 1024 C LYS A 65 13.093 8.788 21.378 1.00 0.00 C ATOM 1025 O LYS A 65 13.750 8.951 20.351 1.00 0.00 O ATOM 1026 CB LYS A 65 13.541 10.621 23.048 1.00 0.00 C ATOM 1027 CG LYS A 65 14.698 11.218 22.235 1.00 0.00 C ATOM 1028 CD LYS A 65 15.834 11.670 23.166 1.00 0.00 C ATOM 1029 CE LYS A 65 15.463 12.980 23.873 1.00 0.00 C ATOM 1030 NZ LYS A 65 15.185 14.033 22.855 1.00 0.00 N ATOM 0 H LYS A 65 11.256 10.023 23.798 1.00 0.00 H new ATOM 0 HA LYS A 65 12.251 10.738 21.322 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.079 11.393 23.663 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.917 9.856 23.727 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.073 10.478 21.527 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.340 12.066 21.651 1.00 0.00 H new ATOM 0 HD2 LYS A 65 16.035 10.895 23.906 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.750 11.807 22.591 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.587 12.829 24.504 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.276 13.296 24.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.367 14.971 23.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.803 13.891 22.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.191 13.973 22.556 1.00 0.00 H new ATOM 1044 N ARG A 66 12.815 7.575 21.831 1.00 0.00 N ATOM 1045 CA ARG A 66 13.293 6.380 21.105 1.00 0.00 C ATOM 1046 C ARG A 66 12.364 5.967 19.930 1.00 0.00 C ATOM 1047 O ARG A 66 12.799 5.828 18.786 1.00 0.00 O ATOM 1048 CB ARG A 66 13.460 5.213 22.082 1.00 0.00 C ATOM 1049 CG ARG A 66 13.990 3.977 21.350 1.00 0.00 C ATOM 1050 CD ARG A 66 14.258 2.871 22.373 1.00 0.00 C ATOM 1051 NE ARG A 66 13.014 2.495 23.033 1.00 0.00 N ATOM 1052 CZ ARG A 66 13.011 1.752 24.136 1.00 0.00 C ATOM 1053 NH1 ARG A 66 14.138 1.336 24.644 1.00 0.00 N ATOM 1054 NH2 ARG A 66 11.880 1.441 24.709 1.00 0.00 N ATOM 0 H ARG A 66 12.276 7.381 22.675 1.00 0.00 H new ATOM 0 HA ARG A 66 14.255 6.640 20.663 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.147 5.494 22.880 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.503 4.983 22.551 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.265 3.638 20.610 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.905 4.222 20.811 1.00 0.00 H new ATOM 0 HD2 ARG A 66 14.694 2.003 21.878 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.983 3.214 23.111 1.00 0.00 H new ATOM 0 HE ARG A 66 12.126 2.809 22.640 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.021 1.581 24.195 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.137 0.766 25.490 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.000 1.768 24.311 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.877 0.871 25.555 1.00 0.00 H new ATOM 1068 N GLN A 67 11.083 5.833 20.251 1.00 0.00 N ATOM 1069 CA GLN A 67 10.004 5.499 19.289 1.00 0.00 C ATOM 1070 C GLN A 67 9.423 6.744 18.590 1.00 0.00 C ATOM 1071 O GLN A 67 8.597 6.643 17.689 1.00 0.00 O ATOM 1072 CB GLN A 67 8.896 4.698 19.987 1.00 0.00 C ATOM 1073 CG GLN A 67 7.964 5.631 20.772 1.00 0.00 C ATOM 1074 CD GLN A 67 7.228 4.839 21.851 1.00 0.00 C ATOM 1075 OE1 GLN A 67 5.976 4.514 21.681 1.00 0.00 O flip ATOM 1076 NE2 GLN A 67 7.829 4.478 22.864 1.00 0.00 N flip ATOM 0 H GLN A 67 10.743 5.953 21.205 1.00 0.00 H new ATOM 0 HA GLN A 67 10.451 4.884 18.508 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.322 4.141 19.247 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.340 3.967 20.662 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.540 6.436 21.228 1.00 0.00 H new ATOM 0 HG3 GLN A 67 7.246 6.096 20.096 1.00 0.00 H new ATOM 0 HE21 GLN A 67 8.808 4.733 22.995 1.00 0.00 H new ATOM 0 HE22 GLN A 67 7.348 3.924 23.572 1.00 0.00 H new ATOM 1085 N ALA A 68 9.794 7.893 19.116 1.00 0.00 N ATOM 1086 CA ALA A 68 9.236 9.178 18.654 1.00 0.00 C ATOM 1087 C ALA A 68 9.137 9.166 17.120 1.00 0.00 C ATOM 1088 O ALA A 68 8.110 9.539 16.553 1.00 0.00 O ATOM 1089 CB ALA A 68 10.158 10.347 19.080 1.00 0.00 C ATOM 0 H ALA A 68 10.480 7.979 19.866 1.00 0.00 H new ATOM 0 HA ALA A 68 8.250 9.313 19.098 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.735 11.289 18.733 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.243 10.366 20.167 1.00 0.00 H new ATOM 0 HB3 ALA A 68 11.146 10.210 18.641 1.00 0.00 H new ATOM 1095 N ASP A 69 10.177 8.661 16.469 1.00 0.00 N ATOM 1096 CA ASP A 69 10.153 8.518 15.015 1.00 0.00 C ATOM 1097 C ASP A 69 8.990 7.602 14.639 1.00 0.00 C ATOM 1098 O ASP A 69 8.174 7.928 13.777 1.00 0.00 O ATOM 1099 CB ASP A 69 11.473 7.898 14.547 1.00 0.00 C ATOM 1100 CG ASP A 69 12.588 8.933 14.661 1.00 0.00 C ATOM 1101 OD1 ASP A 69 12.263 10.097 14.824 1.00 0.00 O ATOM 1102 OD2 ASP A 69 13.744 8.555 14.566 1.00 0.00 O ATOM 0 H ASP A 69 11.038 8.347 16.916 1.00 0.00 H new ATOM 0 HA ASP A 69 10.028 9.491 14.539 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.711 7.023 15.152 1.00 0.00 H new ATOM 0 HB3 ASP A 69 11.382 7.558 13.516 1.00 0.00 H new