USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 631 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 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 172:sc= -0.0182 (180deg=-0.0766) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.504 K(o=0.5,f=-0.0091) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -35:sc= 0.286 USER MOD Single : A 23 THR OG1 : rot -102:sc= 0.61 USER MOD Single : A 24 GLN : amide:sc= -0.335 K(o=-0.33,f=-1.2) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.24 K(o=-0.24,f=-11!) USER MOD Single : A 43 SER OG : rot 180:sc= -0.18 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.0098) USER MOD Single : A 81 HIS : no HD1:sc= -0.0299 X(o=-0.03,f=-0.13) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 5.561 19.755 0.186 1.00 0.00 N ATOM 21 CA SER A 2 6.246 18.788 1.042 1.00 0.00 C ATOM 22 C SER A 2 5.665 17.375 0.891 1.00 0.00 C ATOM 23 O SER A 2 6.418 16.418 0.724 1.00 0.00 O ATOM 24 CB SER A 2 6.182 19.268 2.499 1.00 0.00 C ATOM 25 OG SER A 2 7.135 18.586 3.286 1.00 0.00 O ATOM 0 HA SER A 2 7.289 18.725 0.731 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.366 20.341 2.543 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.183 19.100 2.900 1.00 0.00 H new ATOM 0 HG SER A 2 7.083 18.904 4.211 1.00 0.00 H new ATOM 31 N LYS A 3 4.334 17.239 0.980 1.00 0.00 N ATOM 32 CA LYS A 3 3.643 15.951 0.969 1.00 0.00 C ATOM 33 C LYS A 3 3.620 15.341 -0.438 1.00 0.00 C ATOM 34 O LYS A 3 3.095 15.951 -1.369 1.00 0.00 O ATOM 35 CB LYS A 3 2.208 16.116 1.496 1.00 0.00 C ATOM 36 CG LYS A 3 2.021 15.614 2.934 1.00 0.00 C ATOM 37 CD LYS A 3 2.843 16.355 4.000 1.00 0.00 C ATOM 38 CE LYS A 3 2.452 17.827 4.197 1.00 0.00 C ATOM 39 NZ LYS A 3 1.034 17.994 4.572 1.00 0.00 N ATOM 0 H LYS A 3 3.702 18.035 1.063 1.00 0.00 H new ATOM 0 HA LYS A 3 4.190 15.271 1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.931 17.169 1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.525 15.577 0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.965 15.692 3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.281 14.556 2.969 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.735 15.833 4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.897 16.306 3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.082 18.266 4.970 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.647 18.377 3.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.856 18.987 4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.429 17.727 3.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.817 17.386 5.387 1.00 0.00 H new ATOM 53 N VAL A 4 4.177 14.131 -0.564 1.00 0.00 N ATOM 54 CA VAL A 4 4.402 13.435 -1.825 1.00 0.00 C ATOM 55 C VAL A 4 3.778 12.048 -1.723 1.00 0.00 C ATOM 56 O VAL A 4 4.443 11.076 -1.366 1.00 0.00 O ATOM 57 CB VAL A 4 5.907 13.415 -2.180 1.00 0.00 C ATOM 58 CG1 VAL A 4 6.844 12.981 -1.047 1.00 0.00 C ATOM 59 CG2 VAL A 4 6.174 12.564 -3.434 1.00 0.00 C ATOM 0 H VAL A 4 4.494 13.594 0.243 1.00 0.00 H new ATOM 0 HA VAL A 4 3.921 13.959 -2.651 1.00 0.00 H new ATOM 0 HB VAL A 4 6.146 14.460 -2.375 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.875 13.001 -1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.735 13.663 -0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.589 11.970 -0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.241 12.570 -3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.846 11.540 -3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.624 12.979 -4.279 1.00 0.00 H new ATOM 69 N CYS A 5 2.482 11.961 -2.018 1.00 0.00 N ATOM 70 CA CYS A 5 1.795 10.677 -1.991 1.00 0.00 C ATOM 71 C CYS A 5 2.105 9.889 -3.261 1.00 0.00 C ATOM 72 O CYS A 5 2.376 10.478 -4.305 1.00 0.00 O ATOM 73 CB CYS A 5 0.282 10.816 -1.749 1.00 0.00 C ATOM 74 SG CYS A 5 -0.288 12.246 -0.782 1.00 0.00 S ATOM 0 H CYS A 5 1.895 12.755 -2.275 1.00 0.00 H new ATOM 0 HA CYS A 5 2.175 10.116 -1.137 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.212 10.849 -2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.062 9.912 -1.247 1.00 0.00 H new ATOM 79 N ILE A 6 2.097 8.556 -3.160 1.00 0.00 N ATOM 80 CA ILE A 6 2.373 7.675 -4.294 1.00 0.00 C ATOM 81 C ILE A 6 1.271 6.617 -4.396 1.00 0.00 C ATOM 82 O ILE A 6 0.534 6.395 -3.435 1.00 0.00 O ATOM 83 CB ILE A 6 3.795 7.071 -4.198 1.00 0.00 C ATOM 84 CG1 ILE A 6 4.228 6.627 -2.796 1.00 0.00 C ATOM 85 CG2 ILE A 6 4.856 8.058 -4.707 1.00 0.00 C ATOM 86 CD1 ILE A 6 3.225 5.652 -2.197 1.00 0.00 C ATOM 0 H ILE A 6 1.899 8.060 -2.291 1.00 0.00 H new ATOM 0 HA ILE A 6 2.361 8.250 -5.220 1.00 0.00 H new ATOM 0 HB ILE A 6 3.730 6.180 -4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.210 6.158 -2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.324 7.499 -2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.844 7.604 -4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.654 8.304 -5.749 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.825 8.967 -4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.557 5.354 -1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.249 6.132 -2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.149 4.771 -2.834 1.00 0.00 H new ATOM 98 N ILE A 7 1.156 5.971 -5.561 1.00 0.00 N ATOM 99 CA ILE A 7 0.261 4.841 -5.787 1.00 0.00 C ATOM 100 C ILE A 7 1.090 3.622 -6.198 1.00 0.00 C ATOM 101 O ILE A 7 1.883 3.693 -7.137 1.00 0.00 O ATOM 102 CB ILE A 7 -0.866 5.203 -6.776 1.00 0.00 C ATOM 103 CG1 ILE A 7 -1.791 3.992 -7.000 1.00 0.00 C ATOM 104 CG2 ILE A 7 -0.350 5.745 -8.115 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.190 4.406 -7.465 1.00 0.00 C ATOM 0 H ILE A 7 1.696 6.228 -6.388 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.258 4.581 -4.864 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.433 6.014 -6.318 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.345 3.330 -7.742 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.872 3.424 -6.073 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.195 5.979 -8.763 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.235 6.648 -7.941 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.277 4.993 -8.594 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.804 3.517 -7.609 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.649 5.046 -6.712 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.114 4.951 -8.406 1.00 0.00 H new ATOM 117 N ALA A 8 0.925 2.525 -5.450 1.00 0.00 N ATOM 118 CA ALA A 8 1.690 1.293 -5.551 1.00 0.00 C ATOM 119 C ALA A 8 0.754 0.147 -5.944 1.00 0.00 C ATOM 120 O ALA A 8 0.055 -0.405 -5.093 1.00 0.00 O ATOM 121 CB ALA A 8 2.380 1.025 -4.209 1.00 0.00 C ATOM 0 H ALA A 8 0.214 2.478 -4.721 1.00 0.00 H new ATOM 0 HA ALA A 8 2.458 1.378 -6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.957 0.102 -4.274 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.047 1.854 -3.971 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.628 0.928 -3.426 1.00 0.00 H new ATOM 127 N TRP A 9 0.751 -0.213 -7.235 1.00 0.00 N ATOM 128 CA TRP A 9 -0.012 -1.342 -7.757 1.00 0.00 C ATOM 129 C TRP A 9 0.764 -2.635 -7.557 1.00 0.00 C ATOM 130 O TRP A 9 1.940 -2.701 -7.900 1.00 0.00 O ATOM 131 CB TRP A 9 -0.297 -1.154 -9.248 1.00 0.00 C ATOM 132 CG TRP A 9 -1.315 -0.108 -9.553 1.00 0.00 C ATOM 133 CD1 TRP A 9 -2.646 -0.252 -9.387 1.00 0.00 C ATOM 134 CD2 TRP A 9 -1.121 1.235 -10.074 1.00 0.00 C ATOM 135 NE1 TRP A 9 -3.289 0.925 -9.699 1.00 0.00 N ATOM 136 CE2 TRP A 9 -2.392 1.878 -10.141 1.00 0.00 C ATOM 137 CE3 TRP A 9 -0.001 1.971 -10.512 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -2.539 3.198 -10.587 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -0.150 3.273 -11.019 1.00 0.00 C ATOM 140 CH2 TRP A 9 -1.409 3.896 -11.040 1.00 0.00 C ATOM 0 H TRP A 9 1.286 0.281 -7.949 1.00 0.00 H new ATOM 0 HA TRP A 9 -0.956 -1.394 -7.215 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.634 -0.897 -9.754 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -0.634 -2.104 -9.664 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -3.135 -1.157 -9.058 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.295 1.074 -9.615 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.983 1.529 -10.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.509 3.672 -10.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.713 3.801 -11.397 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.507 4.908 -11.403 1.00 0.00 H new ATOM 151 N VAL A 10 0.094 -3.662 -7.025 1.00 0.00 N ATOM 152 CA VAL A 10 0.686 -4.962 -6.730 1.00 0.00 C ATOM 153 C VAL A 10 0.087 -6.012 -7.673 1.00 0.00 C ATOM 154 O VAL A 10 -1.065 -6.408 -7.494 1.00 0.00 O ATOM 155 CB VAL A 10 0.430 -5.322 -5.257 1.00 0.00 C ATOM 156 CG1 VAL A 10 1.183 -6.602 -4.881 1.00 0.00 C ATOM 157 CG2 VAL A 10 0.853 -4.202 -4.296 1.00 0.00 C ATOM 0 H VAL A 10 -0.896 -3.607 -6.784 1.00 0.00 H new ATOM 0 HA VAL A 10 1.764 -4.931 -6.887 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.645 -5.470 -5.157 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.991 -6.843 -3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.842 -7.423 -5.511 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.252 -6.452 -5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.651 -4.508 -3.269 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.919 -4.006 -4.413 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.290 -3.296 -4.522 1.00 0.00 H new ATOM 167 N TYR A 11 0.870 -6.478 -8.657 1.00 0.00 N ATOM 168 CA TYR A 11 0.460 -7.531 -9.581 1.00 0.00 C ATOM 169 C TYR A 11 0.461 -8.897 -8.891 1.00 0.00 C ATOM 170 O TYR A 11 1.034 -9.070 -7.816 1.00 0.00 O ATOM 171 CB TYR A 11 1.391 -7.582 -10.799 1.00 0.00 C ATOM 172 CG TYR A 11 1.394 -6.344 -11.672 1.00 0.00 C ATOM 173 CD1 TYR A 11 0.525 -6.260 -12.777 1.00 0.00 C ATOM 174 CD2 TYR A 11 2.391 -5.370 -11.498 1.00 0.00 C ATOM 175 CE1 TYR A 11 0.657 -5.207 -13.700 1.00 0.00 C ATOM 176 CE2 TYR A 11 2.575 -4.369 -12.463 1.00 0.00 C ATOM 177 CZ TYR A 11 1.687 -4.263 -13.546 1.00 0.00 C ATOM 178 OH TYR A 11 1.829 -3.252 -14.451 1.00 0.00 O ATOM 0 H TYR A 11 1.812 -6.128 -8.830 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.552 -7.298 -9.911 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.408 -7.761 -10.450 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.110 -8.437 -11.413 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.244 -7.005 -12.916 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.018 -5.392 -10.619 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.033 -5.124 -14.527 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.401 -3.679 -12.373 1.00 0.00 H new ATOM 0 HH TYR A 11 2.589 -2.689 -14.195 1.00 0.00 H new ATOM 188 N GLY A 12 -0.171 -9.877 -9.545 1.00 0.00 N ATOM 189 CA GLY A 12 -0.265 -11.239 -9.061 1.00 0.00 C ATOM 190 C GLY A 12 -1.373 -11.395 -8.024 1.00 0.00 C ATOM 191 O GLY A 12 -2.092 -10.445 -7.715 1.00 0.00 O ATOM 0 H GLY A 12 -0.637 -9.733 -10.441 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.454 -11.910 -9.899 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.688 -11.536 -8.623 1.00 0.00 H new ATOM 195 N ARG A 13 -1.522 -12.620 -7.515 1.00 0.00 N ATOM 196 CA ARG A 13 -2.697 -13.025 -6.753 1.00 0.00 C ATOM 197 C ARG A 13 -2.550 -12.715 -5.267 1.00 0.00 C ATOM 198 O ARG A 13 -2.271 -13.600 -4.462 1.00 0.00 O ATOM 199 CB ARG A 13 -2.984 -14.509 -6.959 1.00 0.00 C ATOM 200 CG ARG A 13 -3.151 -14.854 -8.441 1.00 0.00 C ATOM 201 CD ARG A 13 -3.961 -16.146 -8.600 1.00 0.00 C ATOM 202 NE ARG A 13 -4.175 -16.471 -10.014 1.00 0.00 N ATOM 203 CZ ARG A 13 -5.052 -15.867 -10.836 1.00 0.00 C ATOM 204 NH1 ARG A 13 -5.834 -14.869 -10.397 1.00 0.00 N ATOM 205 NH2 ARG A 13 -5.142 -16.264 -12.111 1.00 0.00 N ATOM 0 H ARG A 13 -0.827 -13.359 -7.622 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.540 -12.444 -7.127 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.170 -15.099 -6.538 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.889 -14.783 -6.417 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.654 -14.036 -8.957 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.172 -14.971 -8.906 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.438 -16.968 -8.111 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.923 -16.038 -8.100 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.609 -17.222 -10.409 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.768 -14.558 -9.428 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.494 -14.421 -11.033 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.548 -17.019 -12.453 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.804 -15.811 -12.741 1.00 0.00 H new ATOM 219 N VAL A 14 -2.757 -11.446 -4.920 1.00 0.00 N ATOM 220 CA VAL A 14 -2.537 -10.918 -3.576 1.00 0.00 C ATOM 221 C VAL A 14 -3.861 -10.667 -2.833 1.00 0.00 C ATOM 222 O VAL A 14 -3.895 -10.731 -1.604 1.00 0.00 O ATOM 223 CB VAL A 14 -1.613 -9.688 -3.654 1.00 0.00 C ATOM 224 CG1 VAL A 14 -1.251 -9.176 -2.254 1.00 0.00 C ATOM 225 CG2 VAL A 14 -0.304 -10.069 -4.367 1.00 0.00 C ATOM 0 H VAL A 14 -3.089 -10.742 -5.579 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.025 -11.665 -2.969 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.145 -8.909 -4.200 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.598 -8.308 -2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.160 -8.894 -1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.737 -9.962 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.348 -9.197 -4.421 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.196 -10.862 -3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.527 -10.418 -5.375 1.00 0.00 H new ATOM 235 N GLN A 15 -4.958 -10.405 -3.558 1.00 0.00 N ATOM 236 CA GLN A 15 -6.282 -10.218 -2.968 1.00 0.00 C ATOM 237 C GLN A 15 -6.889 -11.536 -2.481 1.00 0.00 C ATOM 238 O GLN A 15 -6.536 -12.609 -2.965 1.00 0.00 O ATOM 239 CB GLN A 15 -7.207 -9.511 -3.962 1.00 0.00 C ATOM 240 CG GLN A 15 -7.533 -10.327 -5.215 1.00 0.00 C ATOM 241 CD GLN A 15 -8.469 -9.538 -6.127 1.00 0.00 C ATOM 242 OE1 GLN A 15 -9.533 -10.027 -6.496 1.00 0.00 O ATOM 243 NE2 GLN A 15 -8.097 -8.302 -6.464 1.00 0.00 N ATOM 0 H GLN A 15 -4.947 -10.317 -4.574 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.168 -9.586 -2.087 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.139 -9.258 -3.456 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.744 -8.572 -4.265 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.614 -10.572 -5.748 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.999 -11.271 -4.932 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.205 -7.931 -6.137 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.705 -7.728 -7.048 1.00 0.00 H new ATOM 252 N GLY A 16 -7.826 -11.435 -1.528 1.00 0.00 N ATOM 253 CA GLY A 16 -8.577 -12.563 -0.992 1.00 0.00 C ATOM 254 C GLY A 16 -7.731 -13.491 -0.118 1.00 0.00 C ATOM 255 O GLY A 16 -8.060 -14.668 0.010 1.00 0.00 O ATOM 0 H GLY A 16 -8.084 -10.544 -1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.415 -12.187 -0.406 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.998 -13.136 -1.818 1.00 0.00 H new ATOM 259 N VAL A 17 -6.654 -12.963 0.479 1.00 0.00 N ATOM 260 CA VAL A 17 -5.708 -13.704 1.309 1.00 0.00 C ATOM 261 C VAL A 17 -5.601 -13.068 2.697 1.00 0.00 C ATOM 262 O VAL A 17 -5.513 -13.784 3.692 1.00 0.00 O ATOM 263 CB VAL A 17 -4.351 -13.776 0.589 1.00 0.00 C ATOM 264 CG1 VAL A 17 -3.265 -14.399 1.477 1.00 0.00 C ATOM 265 CG2 VAL A 17 -4.499 -14.616 -0.687 1.00 0.00 C ATOM 0 H VAL A 17 -6.414 -11.976 0.392 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.062 -14.724 1.460 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.046 -12.758 0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.322 -14.431 0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.142 -13.797 2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.558 -15.412 1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.539 -14.670 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.827 -15.622 -0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.236 -14.154 -1.343 1.00 0.00 H new ATOM 275 N GLY A 18 -5.615 -11.729 2.761 1.00 0.00 N ATOM 276 CA GLY A 18 -5.575 -10.955 3.989 1.00 0.00 C ATOM 277 C GLY A 18 -4.241 -10.236 4.191 1.00 0.00 C ATOM 278 O GLY A 18 -3.813 -10.058 5.329 1.00 0.00 O ATOM 0 H GLY A 18 -5.656 -11.145 1.926 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.380 -10.221 3.977 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.759 -11.616 4.836 1.00 0.00 H new ATOM 282 N PHE A 19 -3.613 -9.785 3.094 1.00 0.00 N ATOM 283 CA PHE A 19 -2.410 -8.948 3.103 1.00 0.00 C ATOM 284 C PHE A 19 -2.524 -7.756 4.058 1.00 0.00 C ATOM 285 O PHE A 19 -1.539 -7.349 4.669 1.00 0.00 O ATOM 286 CB PHE A 19 -2.133 -8.446 1.673 1.00 0.00 C ATOM 287 CG PHE A 19 -0.667 -8.451 1.286 1.00 0.00 C ATOM 288 CD1 PHE A 19 -0.054 -9.680 0.985 1.00 0.00 C ATOM 289 CD2 PHE A 19 0.066 -7.255 1.149 1.00 0.00 C ATOM 290 CE1 PHE A 19 1.273 -9.716 0.529 1.00 0.00 C ATOM 291 CE2 PHE A 19 1.394 -7.297 0.685 1.00 0.00 C ATOM 292 CZ PHE A 19 2.001 -8.527 0.387 1.00 0.00 C ATOM 0 H PHE A 19 -3.939 -10.000 2.152 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.585 -9.563 3.462 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.685 -9.068 0.968 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.520 -7.432 1.575 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.606 -10.600 1.105 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.390 -6.309 1.399 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.734 -10.662 0.287 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.948 -6.379 0.558 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.026 -8.557 0.049 1.00 0.00 H new ATOM 302 N ARG A 20 -3.734 -7.194 4.162 1.00 0.00 N ATOM 303 CA ARG A 20 -4.063 -5.990 4.910 1.00 0.00 C ATOM 304 C ARG A 20 -4.197 -6.304 6.403 1.00 0.00 C ATOM 305 O ARG A 20 -5.243 -6.047 6.999 1.00 0.00 O ATOM 306 CB ARG A 20 -5.382 -5.437 4.348 1.00 0.00 C ATOM 307 CG ARG A 20 -5.224 -4.943 2.904 1.00 0.00 C ATOM 308 CD ARG A 20 -6.542 -5.048 2.118 1.00 0.00 C ATOM 309 NE ARG A 20 -6.333 -5.653 0.795 1.00 0.00 N ATOM 310 CZ ARG A 20 -5.904 -6.911 0.596 1.00 0.00 C ATOM 311 NH1 ARG A 20 -5.790 -7.769 1.621 1.00 0.00 N ATOM 312 NH2 ARG A 20 -5.578 -7.312 -0.637 1.00 0.00 N ATOM 0 H ARG A 20 -4.550 -7.594 3.699 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.270 -5.249 4.805 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.146 -6.213 4.385 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.729 -4.617 4.977 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.885 -3.907 2.909 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.453 -5.528 2.402 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.258 -5.645 2.683 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.977 -4.056 2.001 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.526 -5.080 -0.027 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.030 -7.469 2.566 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.463 -8.721 1.455 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.655 -6.664 -1.421 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.252 -8.266 -0.794 1.00 0.00 H new ATOM 326 N TYR A 21 -3.141 -6.861 7.003 1.00 0.00 N ATOM 327 CA TYR A 21 -3.143 -7.302 8.388 1.00 0.00 C ATOM 328 C TYR A 21 -2.499 -6.228 9.265 1.00 0.00 C ATOM 329 O TYR A 21 -3.194 -5.535 10.006 1.00 0.00 O ATOM 330 CB TYR A 21 -2.445 -8.665 8.491 1.00 0.00 C ATOM 331 CG TYR A 21 -2.794 -9.434 9.749 1.00 0.00 C ATOM 332 CD1 TYR A 21 -2.139 -9.154 10.963 1.00 0.00 C ATOM 333 CD2 TYR A 21 -3.815 -10.402 9.713 1.00 0.00 C ATOM 334 CE1 TYR A 21 -2.497 -9.849 12.131 1.00 0.00 C ATOM 335 CE2 TYR A 21 -4.167 -11.102 10.879 1.00 0.00 C ATOM 336 CZ TYR A 21 -3.507 -10.826 12.089 1.00 0.00 C ATOM 337 OH TYR A 21 -3.847 -11.502 13.223 1.00 0.00 O ATOM 0 H TYR A 21 -2.252 -7.017 6.528 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.162 -7.439 8.750 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.712 -9.267 7.622 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.366 -8.514 8.455 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.361 -8.405 10.997 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.330 -10.607 8.786 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.995 -9.632 13.062 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.944 -11.851 10.846 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.563 -12.140 13.021 1.00 0.00 H new ATOM 347 N THR A 22 -1.174 -6.085 9.160 1.00 0.00 N ATOM 348 CA THR A 22 -0.392 -5.131 9.935 1.00 0.00 C ATOM 349 C THR A 22 -0.301 -3.765 9.242 1.00 0.00 C ATOM 350 O THR A 22 0.204 -2.827 9.851 1.00 0.00 O ATOM 351 CB THR A 22 0.988 -5.726 10.266 1.00 0.00 C ATOM 352 OG1 THR A 22 1.672 -4.895 11.181 1.00 0.00 O ATOM 353 CG2 THR A 22 1.860 -5.939 9.025 1.00 0.00 C ATOM 0 H THR A 22 -0.609 -6.643 8.520 1.00 0.00 H new ATOM 0 HA THR A 22 -0.906 -4.945 10.878 1.00 0.00 H new ATOM 0 HB THR A 22 0.804 -6.705 10.708 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.459 -3.957 10.993 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.820 -6.361 9.323 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.359 -6.625 8.342 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.022 -4.984 8.526 1.00 0.00 H new ATOM 361 N THR A 23 -0.791 -3.637 7.996 1.00 0.00 N ATOM 362 CA THR A 23 -0.804 -2.377 7.249 1.00 0.00 C ATOM 363 C THR A 23 -1.247 -1.181 8.109 1.00 0.00 C ATOM 364 O THR A 23 -0.588 -0.142 8.107 1.00 0.00 O ATOM 365 CB THR A 23 -1.662 -2.538 5.980 1.00 0.00 C ATOM 366 OG1 THR A 23 -1.517 -1.400 5.159 1.00 0.00 O ATOM 367 CG2 THR A 23 -3.151 -2.782 6.253 1.00 0.00 C ATOM 0 H THR A 23 -1.193 -4.418 7.478 1.00 0.00 H new ATOM 0 HA THR A 23 0.219 -2.148 6.949 1.00 0.00 H new ATOM 0 HB THR A 23 -1.292 -3.433 5.480 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.302 -0.821 5.260 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.682 -2.884 5.307 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.269 -3.695 6.836 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.561 -1.940 6.811 1.00 0.00 H new ATOM 375 N GLN A 24 -2.333 -1.359 8.876 1.00 0.00 N ATOM 376 CA GLN A 24 -2.853 -0.417 9.856 1.00 0.00 C ATOM 377 C GLN A 24 -1.761 -0.013 10.842 1.00 0.00 C ATOM 378 O GLN A 24 -1.414 1.161 10.953 1.00 0.00 O ATOM 379 CB GLN A 24 -4.000 -1.111 10.604 1.00 0.00 C ATOM 380 CG GLN A 24 -5.228 -1.264 9.703 1.00 0.00 C ATOM 381 CD GLN A 24 -6.027 0.020 9.559 1.00 0.00 C ATOM 382 OE1 GLN A 24 -5.942 0.930 10.380 1.00 0.00 O ATOM 383 NE2 GLN A 24 -6.825 0.083 8.500 1.00 0.00 N ATOM 0 H GLN A 24 -2.894 -2.209 8.820 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.206 0.486 9.358 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.673 -2.092 10.949 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.264 -0.533 11.490 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.907 -1.598 8.716 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.874 -2.043 10.109 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.864 -0.697 7.844 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.399 0.911 8.343 1.00 0.00 H new ATOM 392 N TYR A 25 -1.248 -1.010 11.568 1.00 0.00 N ATOM 393 CA TYR A 25 -0.243 -0.854 12.605 1.00 0.00 C ATOM 394 C TYR A 25 0.956 -0.067 12.079 1.00 0.00 C ATOM 395 O TYR A 25 1.329 0.946 12.661 1.00 0.00 O ATOM 396 CB TYR A 25 0.180 -2.249 13.096 1.00 0.00 C ATOM 397 CG TYR A 25 0.376 -2.328 14.594 1.00 0.00 C ATOM 398 CD1 TYR A 25 1.540 -1.799 15.181 1.00 0.00 C ATOM 399 CD2 TYR A 25 -0.638 -2.868 15.406 1.00 0.00 C ATOM 400 CE1 TYR A 25 1.694 -1.822 16.578 1.00 0.00 C ATOM 401 CE2 TYR A 25 -0.482 -2.893 16.802 1.00 0.00 C ATOM 402 CZ TYR A 25 0.684 -2.371 17.388 1.00 0.00 C ATOM 403 OH TYR A 25 0.829 -2.399 18.745 1.00 0.00 O ATOM 0 H TYR A 25 -1.536 -1.980 11.440 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.659 -0.290 13.440 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.576 -2.975 12.798 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.108 -2.534 12.601 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.315 -1.376 14.559 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.537 -3.263 14.956 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.588 -1.418 17.029 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.258 -3.313 17.425 1.00 0.00 H new ATOM 0 HH TYR A 25 0.038 -2.811 19.150 1.00 0.00 H new ATOM 413 N GLU A 26 1.545 -0.533 10.971 1.00 0.00 N ATOM 414 CA GLU A 26 2.701 0.097 10.347 1.00 0.00 C ATOM 415 C GLU A 26 2.410 1.561 10.037 1.00 0.00 C ATOM 416 O GLU A 26 3.166 2.442 10.443 1.00 0.00 O ATOM 417 CB GLU A 26 3.100 -0.673 9.077 1.00 0.00 C ATOM 418 CG GLU A 26 4.462 -1.353 9.273 1.00 0.00 C ATOM 419 CD GLU A 26 4.955 -2.065 8.019 1.00 0.00 C ATOM 420 OE1 GLU A 26 4.151 -2.186 7.072 1.00 0.00 O ATOM 421 OE2 GLU A 26 6.137 -2.469 8.032 1.00 0.00 O ATOM 0 H GLU A 26 1.224 -1.368 10.482 1.00 0.00 H new ATOM 0 HA GLU A 26 3.540 0.066 11.042 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.342 -1.421 8.844 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.145 0.010 8.229 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.196 -0.605 9.572 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.389 -2.073 10.088 1.00 0.00 H new ATOM 428 N ALA A 27 1.300 1.808 9.334 1.00 0.00 N ATOM 429 CA ALA A 27 0.880 3.148 8.959 1.00 0.00 C ATOM 430 C ALA A 27 0.782 4.073 10.170 1.00 0.00 C ATOM 431 O ALA A 27 1.110 5.252 10.070 1.00 0.00 O ATOM 432 CB ALA A 27 -0.468 3.079 8.232 1.00 0.00 C ATOM 0 H ALA A 27 0.669 1.075 9.011 1.00 0.00 H new ATOM 0 HA ALA A 27 1.636 3.565 8.293 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.782 4.084 7.951 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.367 2.467 7.336 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.215 2.637 8.891 1.00 0.00 H new ATOM 438 N LYS A 28 0.341 3.530 11.312 1.00 0.00 N ATOM 439 CA LYS A 28 0.197 4.266 12.558 1.00 0.00 C ATOM 440 C LYS A 28 1.548 4.748 13.106 1.00 0.00 C ATOM 441 O LYS A 28 1.601 5.800 13.739 1.00 0.00 O ATOM 442 CB LYS A 28 -0.546 3.391 13.577 1.00 0.00 C ATOM 443 CG LYS A 28 -1.050 4.193 14.783 1.00 0.00 C ATOM 444 CD LYS A 28 -2.563 4.050 14.976 1.00 0.00 C ATOM 445 CE LYS A 28 -3.343 4.678 13.812 1.00 0.00 C ATOM 446 NZ LYS A 28 -4.731 4.996 14.192 1.00 0.00 N ATOM 0 H LYS A 28 0.072 2.549 11.389 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.387 5.166 12.364 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.391 2.907 13.088 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.118 2.599 13.923 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.536 3.855 15.683 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.800 5.245 14.649 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.821 2.994 15.060 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.858 4.526 15.911 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.838 5.587 13.485 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.346 3.992 12.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.225 5.418 13.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.220 4.125 14.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.728 5.670 14.984 1.00 0.00 H new ATOM 460 N ARG A 29 2.637 4.004 12.864 1.00 0.00 N ATOM 461 CA ARG A 29 3.974 4.379 13.315 1.00 0.00 C ATOM 462 C ARG A 29 4.452 5.625 12.571 1.00 0.00 C ATOM 463 O ARG A 29 4.956 6.559 13.192 1.00 0.00 O ATOM 464 CB ARG A 29 4.963 3.226 13.101 1.00 0.00 C ATOM 465 CG ARG A 29 4.495 1.931 13.776 1.00 0.00 C ATOM 466 CD ARG A 29 5.249 0.714 13.232 1.00 0.00 C ATOM 467 NE ARG A 29 6.500 0.460 13.957 1.00 0.00 N ATOM 468 CZ ARG A 29 6.589 -0.196 15.127 1.00 0.00 C ATOM 469 NH1 ARG A 29 5.484 -0.578 15.786 1.00 0.00 N ATOM 470 NH2 ARG A 29 7.794 -0.474 15.639 1.00 0.00 N ATOM 0 H ARG A 29 2.609 3.124 12.348 1.00 0.00 H new ATOM 0 HA ARG A 29 3.926 4.599 14.381 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.090 3.052 12.033 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.939 3.508 13.496 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.648 2.004 14.853 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.425 1.800 13.614 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.609 -0.166 13.298 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.469 0.869 12.176 1.00 0.00 H new ATOM 0 HE ARG A 29 7.365 0.807 13.543 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.563 -0.371 15.400 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.565 -1.075 16.673 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.638 -0.188 15.142 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.869 -0.971 16.526 1.00 0.00 H new ATOM 484 N LEU A 30 4.294 5.639 11.241 1.00 0.00 N ATOM 485 CA LEU A 30 4.691 6.773 10.410 1.00 0.00 C ATOM 486 C LEU A 30 3.706 7.935 10.572 1.00 0.00 C ATOM 487 O LEU A 30 4.105 9.094 10.484 1.00 0.00 O ATOM 488 CB LEU A 30 4.768 6.328 8.946 1.00 0.00 C ATOM 489 CG LEU A 30 6.115 5.694 8.555 1.00 0.00 C ATOM 490 CD1 LEU A 30 6.632 4.651 9.551 1.00 0.00 C ATOM 491 CD2 LEU A 30 5.944 5.029 7.189 1.00 0.00 C ATOM 0 H LEU A 30 3.888 4.864 10.716 1.00 0.00 H new ATOM 0 HA LEU A 30 5.673 7.123 10.729 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.971 5.611 8.753 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.584 7.190 8.305 1.00 0.00 H new ATOM 0 HG LEU A 30 6.854 6.495 8.543 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.585 4.254 9.201 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.770 5.117 10.527 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.910 3.839 9.635 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.886 4.571 6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.171 4.263 7.251 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.653 5.779 6.453 1.00 0.00 H new ATOM 503 N GLY A 31 2.425 7.622 10.793 1.00 0.00 N ATOM 504 CA GLY A 31 1.350 8.595 10.909 1.00 0.00 C ATOM 505 C GLY A 31 0.815 9.045 9.550 1.00 0.00 C ATOM 506 O GLY A 31 0.160 10.083 9.468 1.00 0.00 O ATOM 0 H GLY A 31 2.106 6.659 10.898 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.536 8.163 11.491 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.710 9.464 11.460 1.00 0.00 H new ATOM 510 N LEU A 32 1.085 8.270 8.493 1.00 0.00 N ATOM 511 CA LEU A 32 0.609 8.561 7.148 1.00 0.00 C ATOM 512 C LEU A 32 -0.815 8.048 6.937 1.00 0.00 C ATOM 513 O LEU A 32 -1.371 7.350 7.784 1.00 0.00 O ATOM 514 CB LEU A 32 1.599 8.061 6.088 1.00 0.00 C ATOM 515 CG LEU A 32 1.416 6.625 5.568 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.578 6.290 4.641 1.00 0.00 C ATOM 517 CD2 LEU A 32 1.396 5.582 6.678 1.00 0.00 C ATOM 0 H LEU A 32 1.644 7.419 8.554 1.00 0.00 H new ATOM 0 HA LEU A 32 0.558 9.643 7.029 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.548 8.737 5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.604 8.144 6.501 1.00 0.00 H new ATOM 0 HG LEU A 32 0.452 6.593 5.059 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.462 5.274 4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.589 6.988 3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.516 6.368 5.191 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.264 4.591 6.244 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.338 5.616 7.226 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.572 5.792 7.360 1.00 0.00 H new ATOM 529 N THR A 33 -1.405 8.430 5.803 1.00 0.00 N ATOM 530 CA THR A 33 -2.811 8.199 5.510 1.00 0.00 C ATOM 531 C THR A 33 -2.904 7.173 4.379 1.00 0.00 C ATOM 532 O THR A 33 -1.940 6.446 4.140 1.00 0.00 O ATOM 533 CB THR A 33 -3.457 9.544 5.151 1.00 0.00 C ATOM 534 OG1 THR A 33 -2.886 10.075 3.973 1.00 0.00 O ATOM 535 CG2 THR A 33 -3.319 10.566 6.287 1.00 0.00 C ATOM 0 H THR A 33 -0.908 8.915 5.055 1.00 0.00 H new ATOM 0 HA THR A 33 -3.349 7.794 6.367 1.00 0.00 H new ATOM 0 HB THR A 33 -4.518 9.352 4.988 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.312 10.931 3.760 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.789 11.504 5.992 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.806 10.182 7.183 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.263 10.739 6.494 1.00 0.00 H new ATOM 543 N GLY A 34 -4.030 7.135 3.652 1.00 0.00 N ATOM 544 CA GLY A 34 -4.135 6.391 2.405 1.00 0.00 C ATOM 545 C GLY A 34 -5.117 5.240 2.505 1.00 0.00 C ATOM 546 O GLY A 34 -5.979 5.224 3.381 1.00 0.00 O ATOM 0 H GLY A 34 -4.887 7.620 3.918 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.448 7.065 1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.153 6.006 2.130 1.00 0.00 H new ATOM 550 N TYR A 35 -4.975 4.273 1.594 1.00 0.00 N ATOM 551 CA TYR A 35 -5.769 3.054 1.659 1.00 0.00 C ATOM 552 C TYR A 35 -5.248 1.933 0.763 1.00 0.00 C ATOM 553 O TYR A 35 -4.596 2.186 -0.249 1.00 0.00 O ATOM 554 CB TYR A 35 -7.248 3.328 1.346 1.00 0.00 C ATOM 555 CG TYR A 35 -7.502 3.790 -0.080 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.650 2.851 -1.119 1.00 0.00 C ATOM 557 CD2 TYR A 35 -7.464 5.164 -0.384 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.719 3.284 -2.455 1.00 0.00 C ATOM 559 CE2 TYR A 35 -7.556 5.596 -1.718 1.00 0.00 C ATOM 560 CZ TYR A 35 -7.675 4.655 -2.755 1.00 0.00 C ATOM 561 OH TYR A 35 -7.749 5.067 -4.053 1.00 0.00 O ATOM 0 H TYR A 35 -4.322 4.314 0.811 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.675 2.708 2.688 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.822 2.420 1.531 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.620 4.086 2.035 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.711 1.797 -0.889 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.364 5.888 0.411 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.806 2.561 -3.252 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.535 6.651 -1.946 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.706 6.045 -4.089 1.00 0.00 H new ATOM 571 N ALA A 36 -5.585 0.696 1.152 1.00 0.00 N ATOM 572 CA ALA A 36 -5.248 -0.530 0.446 1.00 0.00 C ATOM 573 C ALA A 36 -6.519 -1.196 -0.087 1.00 0.00 C ATOM 574 O ALA A 36 -7.177 -1.929 0.651 1.00 0.00 O ATOM 575 CB ALA A 36 -4.504 -1.455 1.412 1.00 0.00 C ATOM 0 H ALA A 36 -6.121 0.524 2.002 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.608 -0.312 -0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.242 -2.381 0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.595 -0.963 1.759 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.144 -1.680 2.265 1.00 0.00 H new ATOM 581 N LYS A 37 -6.866 -0.944 -1.357 1.00 0.00 N ATOM 582 CA LYS A 37 -8.011 -1.565 -2.024 1.00 0.00 C ATOM 583 C LYS A 37 -7.551 -2.648 -2.997 1.00 0.00 C ATOM 584 O LYS A 37 -6.354 -2.844 -3.182 1.00 0.00 O ATOM 585 CB LYS A 37 -8.886 -0.517 -2.734 1.00 0.00 C ATOM 586 CG LYS A 37 -10.172 -0.256 -1.938 1.00 0.00 C ATOM 587 CD LYS A 37 -11.172 0.555 -2.766 1.00 0.00 C ATOM 588 CE LYS A 37 -12.493 0.704 -2.002 1.00 0.00 C ATOM 589 NZ LYS A 37 -13.273 1.852 -2.494 1.00 0.00 N ATOM 0 H LYS A 37 -6.352 -0.296 -1.953 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.625 -2.037 -1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.328 0.412 -2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.137 -0.864 -3.736 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.622 -1.205 -1.645 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.934 0.281 -1.020 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.759 1.539 -2.988 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.350 0.061 -3.721 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.080 -0.208 -2.107 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.288 0.831 -0.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.160 1.925 -1.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.721 2.725 -2.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.489 1.718 -3.502 1.00 0.00 H new ATOM 603 N ASN A 38 -8.514 -3.359 -3.601 1.00 0.00 N ATOM 604 CA ASN A 38 -8.263 -4.456 -4.526 1.00 0.00 C ATOM 605 C ASN A 38 -8.959 -4.184 -5.861 1.00 0.00 C ATOM 606 O ASN A 38 -10.114 -3.763 -5.882 1.00 0.00 O ATOM 607 CB ASN A 38 -8.714 -5.792 -3.918 1.00 0.00 C ATOM 608 CG ASN A 38 -8.096 -6.132 -2.567 1.00 0.00 C ATOM 609 OD1 ASN A 38 -7.236 -5.435 -2.034 1.00 0.00 O ATOM 610 ND2 ASN A 38 -8.537 -7.253 -2.004 1.00 0.00 N ATOM 0 H ASN A 38 -9.507 -3.178 -3.452 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.191 -4.527 -4.710 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.798 -5.776 -3.810 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.476 -6.591 -4.620 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.160 -7.555 -1.105 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.252 -7.811 -2.471 1.00 0.00 H new ATOM 617 N LEU A 39 -8.246 -4.444 -6.964 1.00 0.00 N ATOM 618 CA LEU A 39 -8.760 -4.392 -8.328 1.00 0.00 C ATOM 619 C LEU A 39 -9.725 -5.551 -8.585 1.00 0.00 C ATOM 620 O LEU A 39 -9.876 -6.450 -7.761 1.00 0.00 O ATOM 621 CB LEU A 39 -7.592 -4.459 -9.334 1.00 0.00 C ATOM 622 CG LEU A 39 -6.908 -3.110 -9.602 1.00 0.00 C ATOM 623 CD1 LEU A 39 -5.638 -3.327 -10.430 1.00 0.00 C ATOM 624 CD2 LEU A 39 -7.850 -2.169 -10.365 1.00 0.00 C ATOM 0 H LEU A 39 -7.261 -4.705 -6.924 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.297 -3.453 -8.457 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.847 -5.163 -8.962 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.964 -4.858 -10.278 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.653 -2.658 -8.643 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.157 -2.367 -10.617 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.953 -3.975 -9.883 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.898 -3.794 -11.380 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.347 -1.219 -10.545 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.123 -2.622 -11.318 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.750 -1.997 -9.774 1.00 0.00 H new ATOM 636 N ASP A 40 -10.356 -5.524 -9.762 1.00 0.00 N ATOM 637 CA ASP A 40 -11.301 -6.533 -10.218 1.00 0.00 C ATOM 638 C ASP A 40 -10.626 -7.568 -11.128 1.00 0.00 C ATOM 639 O ASP A 40 -11.323 -8.257 -11.871 1.00 0.00 O ATOM 640 CB ASP A 40 -12.458 -5.830 -10.946 1.00 0.00 C ATOM 641 CG ASP A 40 -13.139 -4.771 -10.081 1.00 0.00 C ATOM 642 OD1 ASP A 40 -13.437 -5.092 -8.909 1.00 0.00 O ATOM 643 OD2 ASP A 40 -13.348 -3.657 -10.607 1.00 0.00 O ATOM 0 H ASP A 40 -10.216 -4.775 -10.440 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.686 -7.078 -9.356 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.080 -5.363 -11.855 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.195 -6.573 -11.252 1.00 0.00 H new ATOM 648 N ASP A 41 -9.287 -7.678 -11.085 1.00 0.00 N ATOM 649 CA ASP A 41 -8.513 -8.547 -11.971 1.00 0.00 C ATOM 650 C ASP A 41 -7.665 -9.572 -11.208 1.00 0.00 C ATOM 651 O ASP A 41 -7.292 -10.597 -11.776 1.00 0.00 O ATOM 652 CB ASP A 41 -7.666 -7.669 -12.899 1.00 0.00 C ATOM 653 CG ASP A 41 -7.038 -8.475 -14.033 1.00 0.00 C ATOM 654 OD1 ASP A 41 -7.780 -8.781 -14.992 1.00 0.00 O ATOM 655 OD2 ASP A 41 -5.827 -8.765 -13.923 1.00 0.00 O ATOM 0 H ASP A 41 -8.710 -7.157 -10.424 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.203 -9.144 -12.567 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.288 -6.878 -13.318 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.880 -7.183 -12.321 1.00 0.00 H new ATOM 660 N GLY A 42 -7.376 -9.312 -9.925 1.00 0.00 N ATOM 661 CA GLY A 42 -6.581 -10.173 -9.064 1.00 0.00 C ATOM 662 C GLY A 42 -5.557 -9.419 -8.210 1.00 0.00 C ATOM 663 O GLY A 42 -4.897 -10.029 -7.372 1.00 0.00 O ATOM 0 H GLY A 42 -7.703 -8.470 -9.452 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.249 -10.730 -8.407 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.058 -10.904 -9.680 1.00 0.00 H new ATOM 667 N SER A 43 -5.397 -8.115 -8.448 1.00 0.00 N ATOM 668 CA SER A 43 -4.284 -7.301 -7.964 1.00 0.00 C ATOM 669 C SER A 43 -4.744 -6.262 -6.929 1.00 0.00 C ATOM 670 O SER A 43 -5.943 -6.077 -6.736 1.00 0.00 O ATOM 671 CB SER A 43 -3.606 -6.668 -9.188 1.00 0.00 C ATOM 672 OG SER A 43 -4.547 -6.348 -10.196 1.00 0.00 O ATOM 0 H SER A 43 -6.064 -7.579 -9.003 1.00 0.00 H new ATOM 0 HA SER A 43 -3.561 -7.921 -7.433 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.075 -5.765 -8.885 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.862 -7.356 -9.589 1.00 0.00 H new ATOM 0 HG SER A 43 -4.084 -5.946 -10.960 1.00 0.00 H new ATOM 678 N VAL A 44 -3.785 -5.647 -6.212 1.00 0.00 N ATOM 679 CA VAL A 44 -4.043 -4.824 -5.024 1.00 0.00 C ATOM 680 C VAL A 44 -3.450 -3.414 -5.175 1.00 0.00 C ATOM 681 O VAL A 44 -2.273 -3.286 -5.503 1.00 0.00 O ATOM 682 CB VAL A 44 -3.480 -5.552 -3.786 1.00 0.00 C ATOM 683 CG1 VAL A 44 -3.661 -4.743 -2.494 1.00 0.00 C ATOM 684 CG2 VAL A 44 -4.181 -6.907 -3.609 1.00 0.00 C ATOM 0 H VAL A 44 -2.795 -5.711 -6.449 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.118 -4.690 -4.902 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.412 -5.685 -3.961 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.248 -5.301 -1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.142 -3.789 -2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.722 -4.563 -2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.777 -7.414 -2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.251 -6.748 -3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.013 -7.522 -4.493 1.00 0.00 H new ATOM 694 N GLU A 45 -4.244 -2.364 -4.917 1.00 0.00 N ATOM 695 CA GLU A 45 -3.844 -0.961 -5.050 1.00 0.00 C ATOM 696 C GLU A 45 -3.594 -0.316 -3.680 1.00 0.00 C ATOM 697 O GLU A 45 -4.540 -0.141 -2.912 1.00 0.00 O ATOM 698 CB GLU A 45 -4.956 -0.161 -5.747 1.00 0.00 C ATOM 699 CG GLU A 45 -5.515 -0.859 -6.985 1.00 0.00 C ATOM 700 CD GLU A 45 -6.363 0.103 -7.813 1.00 0.00 C ATOM 701 OE1 GLU A 45 -7.408 0.537 -7.280 1.00 0.00 O ATOM 702 OE2 GLU A 45 -5.948 0.400 -8.955 1.00 0.00 O ATOM 0 H GLU A 45 -5.208 -2.474 -4.602 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.924 -0.942 -5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.767 0.014 -5.040 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.567 0.816 -6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.696 -1.244 -7.592 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.118 -1.716 -6.684 1.00 0.00 H new ATOM 709 N VAL A 46 -2.345 0.064 -3.382 1.00 0.00 N ATOM 710 CA VAL A 46 -1.958 0.642 -2.093 1.00 0.00 C ATOM 711 C VAL A 46 -1.536 2.105 -2.281 1.00 0.00 C ATOM 712 O VAL A 46 -0.738 2.387 -3.168 1.00 0.00 O ATOM 713 CB VAL A 46 -0.813 -0.195 -1.502 1.00 0.00 C ATOM 714 CG1 VAL A 46 -0.455 0.249 -0.080 1.00 0.00 C ATOM 715 CG2 VAL A 46 -1.185 -1.684 -1.452 1.00 0.00 C ATOM 0 H VAL A 46 -1.568 -0.023 -4.037 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.802 0.626 -1.403 1.00 0.00 H new ATOM 0 HB VAL A 46 0.044 -0.041 -2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.359 -0.369 0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.143 1.293 -0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.326 0.139 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.356 -2.252 -1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.070 -1.817 -0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.393 -2.041 -2.461 1.00 0.00 H new ATOM 725 N VAL A 47 -2.060 3.032 -1.467 1.00 0.00 N ATOM 726 CA VAL A 47 -1.813 4.477 -1.599 1.00 0.00 C ATOM 727 C VAL A 47 -1.373 5.072 -0.253 1.00 0.00 C ATOM 728 O VAL A 47 -1.863 4.612 0.776 1.00 0.00 O ATOM 729 CB VAL A 47 -3.091 5.198 -2.068 1.00 0.00 C ATOM 730 CG1 VAL A 47 -2.776 6.584 -2.646 1.00 0.00 C ATOM 731 CG2 VAL A 47 -3.889 4.410 -3.116 1.00 0.00 C ATOM 0 H VAL A 47 -2.675 2.798 -0.688 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.022 4.618 -2.335 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.703 5.291 -1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.701 7.063 -2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.296 7.196 -1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.107 6.479 -3.500 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.775 4.977 -3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.268 4.242 -3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.191 3.450 -2.697 1.00 0.00 H new ATOM 741 N ALA A 48 -0.458 6.063 -0.253 1.00 0.00 N ATOM 742 CA ALA A 48 0.137 6.561 0.994 1.00 0.00 C ATOM 743 C ALA A 48 0.768 7.949 0.819 1.00 0.00 C ATOM 744 O ALA A 48 1.571 8.113 -0.095 1.00 0.00 O ATOM 745 CB ALA A 48 1.251 5.579 1.369 1.00 0.00 C ATOM 0 H ALA A 48 -0.121 6.527 -1.096 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.640 6.641 1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.728 5.905 2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.827 4.585 1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.992 5.547 0.570 1.00 0.00 H new ATOM 751 N CYS A 49 0.462 8.911 1.706 1.00 0.00 N ATOM 752 CA CYS A 49 1.028 10.268 1.712 1.00 0.00 C ATOM 753 C CYS A 49 2.220 10.396 2.660 1.00 0.00 C ATOM 754 O CYS A 49 2.628 9.428 3.289 1.00 0.00 O ATOM 755 CB CYS A 49 -0.087 11.261 2.065 1.00 0.00 C ATOM 756 SG CYS A 49 -1.343 11.452 0.775 1.00 0.00 S ATOM 0 H CYS A 49 -0.207 8.760 2.461 1.00 0.00 H new ATOM 0 HA CYS A 49 1.417 10.493 0.719 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.573 10.934 2.984 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.359 12.234 2.269 1.00 0.00 H new ATOM 761 N GLY A 50 2.787 11.606 2.747 1.00 0.00 N ATOM 762 CA GLY A 50 3.907 11.935 3.618 1.00 0.00 C ATOM 763 C GLY A 50 5.173 12.140 2.791 1.00 0.00 C ATOM 764 O GLY A 50 5.093 12.394 1.590 1.00 0.00 O ATOM 0 H GLY A 50 2.465 12.401 2.195 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.683 12.839 4.185 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.062 11.135 4.342 1.00 0.00 H new ATOM 768 N GLU A 51 6.339 12.026 3.437 1.00 0.00 N ATOM 769 CA GLU A 51 7.626 12.077 2.760 1.00 0.00 C ATOM 770 C GLU A 51 7.935 10.692 2.200 1.00 0.00 C ATOM 771 O GLU A 51 7.890 9.713 2.942 1.00 0.00 O ATOM 772 CB GLU A 51 8.727 12.533 3.723 1.00 0.00 C ATOM 773 CG GLU A 51 8.404 13.900 4.334 1.00 0.00 C ATOM 774 CD GLU A 51 9.651 14.527 4.950 1.00 0.00 C ATOM 775 OE1 GLU A 51 9.926 14.213 6.128 1.00 0.00 O ATOM 776 OE2 GLU A 51 10.313 15.300 4.224 1.00 0.00 O ATOM 0 H GLU A 51 6.410 11.896 4.446 1.00 0.00 H new ATOM 0 HA GLU A 51 7.585 12.800 1.946 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.845 11.796 4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.678 12.585 3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.001 14.560 3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.633 13.789 5.096 1.00 0.00 H new ATOM 783 N GLU A 52 8.242 10.614 0.900 1.00 0.00 N ATOM 784 CA GLU A 52 8.445 9.364 0.172 1.00 0.00 C ATOM 785 C GLU A 52 9.417 8.450 0.920 1.00 0.00 C ATOM 786 O GLU A 52 9.141 7.268 1.111 1.00 0.00 O ATOM 787 CB GLU A 52 8.947 9.661 -1.251 1.00 0.00 C ATOM 788 CG GLU A 52 8.141 8.863 -2.285 1.00 0.00 C ATOM 789 CD GLU A 52 8.606 9.123 -3.715 1.00 0.00 C ATOM 790 OE1 GLU A 52 8.878 10.304 -4.026 1.00 0.00 O ATOM 791 OE2 GLU A 52 8.669 8.137 -4.480 1.00 0.00 O ATOM 0 H GLU A 52 8.358 11.441 0.314 1.00 0.00 H new ATOM 0 HA GLU A 52 7.491 8.841 0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.860 10.728 -1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.004 9.406 -1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.228 7.799 -2.066 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.086 9.122 -2.197 1.00 0.00 H new ATOM 798 N GLY A 53 10.529 9.036 1.378 1.00 0.00 N ATOM 799 CA GLY A 53 11.536 8.417 2.215 1.00 0.00 C ATOM 800 C GLY A 53 10.940 7.608 3.369 1.00 0.00 C ATOM 801 O GLY A 53 11.303 6.448 3.560 1.00 0.00 O ATOM 0 H GLY A 53 10.753 10.006 1.157 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.157 7.763 1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.189 9.190 2.620 1.00 0.00 H new ATOM 805 N GLN A 54 10.021 8.219 4.130 1.00 0.00 N ATOM 806 CA GLN A 54 9.342 7.591 5.252 1.00 0.00 C ATOM 807 C GLN A 54 8.388 6.504 4.772 1.00 0.00 C ATOM 808 O GLN A 54 8.409 5.397 5.301 1.00 0.00 O ATOM 809 CB GLN A 54 8.546 8.625 6.055 1.00 0.00 C ATOM 810 CG GLN A 54 9.412 9.383 7.066 1.00 0.00 C ATOM 811 CD GLN A 54 8.541 10.034 8.137 1.00 0.00 C ATOM 812 OE1 GLN A 54 8.288 11.234 8.097 1.00 0.00 O ATOM 813 NE2 GLN A 54 8.073 9.232 9.098 1.00 0.00 N ATOM 0 H GLN A 54 9.729 9.184 3.972 1.00 0.00 H new ATOM 0 HA GLN A 54 10.108 7.147 5.887 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.088 9.337 5.369 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.734 8.123 6.582 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.120 8.698 7.532 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.997 10.146 6.552 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.308 8.239 9.093 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.481 9.612 9.836 1.00 0.00 H new ATOM 822 N VAL A 55 7.549 6.823 3.781 1.00 0.00 N ATOM 823 CA VAL A 55 6.602 5.875 3.206 1.00 0.00 C ATOM 824 C VAL A 55 7.302 4.588 2.758 1.00 0.00 C ATOM 825 O VAL A 55 6.765 3.498 2.958 1.00 0.00 O ATOM 826 CB VAL A 55 5.810 6.520 2.056 1.00 0.00 C ATOM 827 CG1 VAL A 55 4.783 5.532 1.493 1.00 0.00 C ATOM 828 CG2 VAL A 55 5.092 7.792 2.518 1.00 0.00 C ATOM 0 H VAL A 55 7.511 7.750 3.357 1.00 0.00 H new ATOM 0 HA VAL A 55 5.890 5.599 3.984 1.00 0.00 H new ATOM 0 HB VAL A 55 6.523 6.787 1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.231 6.004 0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.297 4.648 1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.089 5.240 2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.542 8.223 1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.398 7.546 3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.825 8.513 2.880 1.00 0.00 H new ATOM 838 N GLU A 56 8.510 4.700 2.195 1.00 0.00 N ATOM 839 CA GLU A 56 9.261 3.550 1.720 1.00 0.00 C ATOM 840 C GLU A 56 9.633 2.584 2.854 1.00 0.00 C ATOM 841 O GLU A 56 9.775 1.387 2.605 1.00 0.00 O ATOM 842 CB GLU A 56 10.483 4.003 0.911 1.00 0.00 C ATOM 843 CG GLU A 56 10.713 3.060 -0.275 1.00 0.00 C ATOM 844 CD GLU A 56 11.944 3.463 -1.078 1.00 0.00 C ATOM 845 OE1 GLU A 56 11.857 4.501 -1.769 1.00 0.00 O ATOM 846 OE2 GLU A 56 12.948 2.724 -0.987 1.00 0.00 O ATOM 0 H GLU A 56 8.987 5.591 2.059 1.00 0.00 H new ATOM 0 HA GLU A 56 8.613 2.982 1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.333 5.021 0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.366 4.017 1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.832 2.039 0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.836 3.068 -0.923 1.00 0.00 H new ATOM 853 N LYS A 57 9.762 3.077 4.095 1.00 0.00 N ATOM 854 CA LYS A 57 10.110 2.253 5.247 1.00 0.00 C ATOM 855 C LYS A 57 9.054 1.172 5.497 1.00 0.00 C ATOM 856 O LYS A 57 9.418 0.021 5.722 1.00 0.00 O ATOM 857 CB LYS A 57 10.317 3.103 6.511 1.00 0.00 C ATOM 858 CG LYS A 57 11.292 4.278 6.345 1.00 0.00 C ATOM 859 CD LYS A 57 12.697 3.911 5.853 1.00 0.00 C ATOM 860 CE LYS A 57 13.459 3.033 6.851 1.00 0.00 C ATOM 861 NZ LYS A 57 14.858 2.841 6.430 1.00 0.00 N ATOM 0 H LYS A 57 9.626 4.062 4.321 1.00 0.00 H new ATOM 0 HA LYS A 57 11.055 1.762 5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.351 3.493 6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.681 2.457 7.310 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.857 4.991 5.645 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.384 4.788 7.304 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.619 3.388 4.900 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.264 4.824 5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.433 3.494 7.839 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.966 2.065 6.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.350 2.243 7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.880 2.380 5.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 15.333 3.765 6.371 1.00 0.00 H new ATOM 875 N LEU A 58 7.760 1.521 5.446 1.00 0.00 N ATOM 876 CA LEU A 58 6.689 0.541 5.609 1.00 0.00 C ATOM 877 C LEU A 58 6.569 -0.335 4.360 1.00 0.00 C ATOM 878 O LEU A 58 6.191 -1.500 4.457 1.00 0.00 O ATOM 879 CB LEU A 58 5.365 1.223 6.010 1.00 0.00 C ATOM 880 CG LEU A 58 4.396 1.568 4.862 1.00 0.00 C ATOM 881 CD1 LEU A 58 3.381 0.441 4.613 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.610 2.836 5.197 1.00 0.00 C ATOM 0 H LEU A 58 7.435 2.476 5.293 1.00 0.00 H new ATOM 0 HA LEU A 58 6.940 -0.126 6.433 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.844 0.572 6.712 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.603 2.143 6.544 1.00 0.00 H new ATOM 0 HG LEU A 58 5.004 1.710 3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.717 0.724 3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.911 -0.474 4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.795 0.273 5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.929 3.069 4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.038 2.678 6.111 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.302 3.666 5.341 1.00 0.00 H new ATOM 894 N MET A 59 6.903 0.214 3.183 1.00 0.00 N ATOM 895 CA MET A 59 6.813 -0.511 1.928 1.00 0.00 C ATOM 896 C MET A 59 7.813 -1.660 1.854 1.00 0.00 C ATOM 897 O MET A 59 7.530 -2.631 1.157 1.00 0.00 O ATOM 898 CB MET A 59 6.928 0.440 0.736 1.00 0.00 C ATOM 899 CG MET A 59 5.775 1.452 0.704 1.00 0.00 C ATOM 900 SD MET A 59 4.512 1.132 -0.557 1.00 0.00 S ATOM 901 CE MET A 59 3.182 2.193 0.069 1.00 0.00 C ATOM 0 H MET A 59 7.241 1.171 3.085 1.00 0.00 H new ATOM 0 HA MET A 59 5.825 -0.969 1.883 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.878 0.972 0.785 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.933 -0.136 -0.190 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.295 1.465 1.683 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.189 2.447 0.539 1.00 0.00 H new ATOM 0 HE1 MET A 59 2.317 2.120 -0.590 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.902 1.871 1.072 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.526 3.227 0.102 1.00 0.00 H new ATOM 911 N GLN A 60 8.928 -1.601 2.596 1.00 0.00 N ATOM 912 CA GLN A 60 9.787 -2.764 2.813 1.00 0.00 C ATOM 913 C GLN A 60 8.910 -3.989 3.077 1.00 0.00 C ATOM 914 O GLN A 60 9.047 -5.009 2.376 1.00 0.00 O ATOM 915 CB GLN A 60 10.734 -2.510 4.001 1.00 0.00 C ATOM 916 CG GLN A 60 11.784 -1.419 3.732 1.00 0.00 C ATOM 917 CD GLN A 60 12.907 -1.903 2.815 1.00 0.00 C ATOM 918 OE1 GLN A 60 13.804 -2.615 3.259 1.00 0.00 O ATOM 919 NE2 GLN A 60 12.879 -1.508 1.540 1.00 0.00 N ATOM 0 H GLN A 60 9.254 -0.752 3.057 1.00 0.00 H new ATOM 0 HA GLN A 60 10.396 -2.942 1.926 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.143 -2.226 4.871 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.245 -3.440 4.252 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.298 -0.554 3.281 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.210 -1.087 4.679 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.118 -0.917 1.206 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.619 -1.798 0.900 1.00 0.00 H new ATOM 928 N TRP A 61 8.006 -3.915 4.043 1.00 0.00 N ATOM 929 CA TRP A 61 7.143 -5.016 4.410 1.00 0.00 C ATOM 930 C TRP A 61 6.194 -5.419 3.266 1.00 0.00 C ATOM 931 O TRP A 61 5.971 -6.604 3.072 1.00 0.00 O ATOM 932 CB TRP A 61 6.373 -4.689 5.687 1.00 0.00 C ATOM 933 CG TRP A 61 5.182 -5.554 5.913 1.00 0.00 C ATOM 934 CD1 TRP A 61 5.157 -6.816 6.394 1.00 0.00 C ATOM 935 CD2 TRP A 61 3.817 -5.240 5.548 1.00 0.00 C ATOM 936 NE1 TRP A 61 3.862 -7.302 6.355 1.00 0.00 N ATOM 937 CE2 TRP A 61 2.994 -6.366 5.826 1.00 0.00 C ATOM 938 CE3 TRP A 61 3.213 -4.111 4.969 1.00 0.00 C ATOM 939 CZ2 TRP A 61 1.618 -6.365 5.550 1.00 0.00 C ATOM 940 CZ3 TRP A 61 1.826 -4.082 4.727 1.00 0.00 C ATOM 941 CH2 TRP A 61 1.034 -5.212 5.002 1.00 0.00 C ATOM 0 H TRP A 61 7.853 -3.074 4.599 1.00 0.00 H new ATOM 0 HA TRP A 61 7.778 -5.881 4.604 1.00 0.00 H new ATOM 0 HB2 TRP A 61 7.046 -4.784 6.539 1.00 0.00 H new ATOM 0 HB3 TRP A 61 6.052 -3.648 5.649 1.00 0.00 H new ATOM 0 HD1 TRP A 61 6.016 -7.362 6.754 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.584 -8.230 6.675 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.819 -3.256 4.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 1.017 -7.238 5.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 1.368 -3.189 4.329 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -0.025 -5.192 4.791 1.00 0.00 H new ATOM 952 N LEU A 62 5.610 -4.458 2.524 1.00 0.00 N ATOM 953 CA LEU A 62 4.712 -4.764 1.402 1.00 0.00 C ATOM 954 C LEU A 62 5.406 -5.675 0.383 1.00 0.00 C ATOM 955 O LEU A 62 4.795 -6.627 -0.096 1.00 0.00 O ATOM 956 CB LEU A 62 4.187 -3.477 0.733 1.00 0.00 C ATOM 957 CG LEU A 62 2.979 -2.865 1.469 1.00 0.00 C ATOM 958 CD1 LEU A 62 2.859 -1.358 1.223 1.00 0.00 C ATOM 959 CD2 LEU A 62 1.655 -3.512 1.056 1.00 0.00 C ATOM 0 H LEU A 62 5.747 -3.460 2.685 1.00 0.00 H new ATOM 0 HA LEU A 62 3.850 -5.298 1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.991 -2.742 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.904 -3.698 -0.296 1.00 0.00 H new ATOM 0 HG LEU A 62 3.165 -3.056 2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.994 -0.969 1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.761 -0.859 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.736 -1.172 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.836 -3.045 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.501 -3.375 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.684 -4.577 1.285 1.00 0.00 H new ATOM 1101 N VAL A 72 3.350 -12.552 -5.446 1.00 0.00 N ATOM 1102 CA VAL A 72 3.595 -11.190 -5.893 1.00 0.00 C ATOM 1103 C VAL A 72 4.354 -11.250 -7.219 1.00 0.00 C ATOM 1104 O VAL A 72 5.579 -11.353 -7.224 1.00 0.00 O ATOM 1105 CB VAL A 72 4.383 -10.417 -4.816 1.00 0.00 C ATOM 1106 CG1 VAL A 72 4.627 -8.964 -5.254 1.00 0.00 C ATOM 1107 CG2 VAL A 72 3.637 -10.407 -3.475 1.00 0.00 C ATOM 0 HA VAL A 72 2.656 -10.659 -6.048 1.00 0.00 H new ATOM 0 HB VAL A 72 5.337 -10.930 -4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.184 -8.439 -4.478 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.199 -8.955 -6.182 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.670 -8.466 -5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.220 -9.854 -2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.666 -9.929 -3.602 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.495 -11.431 -3.130 1.00 0.00 H new ATOM 1117 N GLU A 73 3.628 -11.194 -8.343 1.00 0.00 N ATOM 1118 CA GLU A 73 4.243 -11.209 -9.666 1.00 0.00 C ATOM 1119 C GLU A 73 5.225 -10.046 -9.861 1.00 0.00 C ATOM 1120 O GLU A 73 6.322 -10.263 -10.372 1.00 0.00 O ATOM 1121 CB GLU A 73 3.172 -11.229 -10.770 1.00 0.00 C ATOM 1122 CG GLU A 73 3.522 -12.242 -11.865 1.00 0.00 C ATOM 1123 CD GLU A 73 2.550 -12.131 -13.036 1.00 0.00 C ATOM 1124 OE1 GLU A 73 1.457 -12.726 -12.924 1.00 0.00 O ATOM 1125 OE2 GLU A 73 2.914 -11.442 -14.015 1.00 0.00 O ATOM 0 H GLU A 73 2.610 -11.138 -8.356 1.00 0.00 H new ATOM 0 HA GLU A 73 4.824 -12.128 -9.741 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.204 -11.479 -10.336 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.078 -10.235 -11.207 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.540 -12.070 -12.214 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.492 -13.252 -11.456 1.00 0.00 H new ATOM 1132 N ARG A 74 4.828 -8.825 -9.465 1.00 0.00 N ATOM 1133 CA ARG A 74 5.581 -7.581 -9.652 1.00 0.00 C ATOM 1134 C ARG A 74 4.871 -6.436 -8.915 1.00 0.00 C ATOM 1135 O ARG A 74 3.718 -6.593 -8.514 1.00 0.00 O ATOM 1136 CB ARG A 74 5.693 -7.261 -11.157 1.00 0.00 C ATOM 1137 CG ARG A 74 7.114 -7.469 -11.703 1.00 0.00 C ATOM 1138 CD ARG A 74 7.138 -7.433 -13.237 1.00 0.00 C ATOM 1139 NE ARG A 74 6.266 -8.458 -13.836 1.00 0.00 N ATOM 1140 CZ ARG A 74 6.502 -9.782 -13.854 1.00 0.00 C ATOM 1141 NH1 ARG A 74 7.636 -10.289 -13.352 1.00 0.00 N ATOM 1142 NH2 ARG A 74 5.591 -10.610 -14.378 1.00 0.00 N ATOM 0 H ARG A 74 3.939 -8.676 -8.988 1.00 0.00 H new ATOM 0 HA ARG A 74 6.585 -7.697 -9.243 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.999 -7.893 -11.711 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.390 -6.228 -11.328 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.773 -6.695 -11.310 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.502 -8.426 -11.354 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.824 -6.447 -13.580 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.160 -7.581 -13.585 1.00 0.00 H new ATOM 0 HE ARG A 74 5.405 -8.134 -14.277 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.337 -9.668 -12.948 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.798 -11.296 -13.374 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.723 -10.236 -14.761 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.765 -11.615 -14.394 1.00 0.00 H new ATOM 1156 N VAL A 75 5.551 -5.288 -8.742 1.00 0.00 N ATOM 1157 CA VAL A 75 4.996 -4.091 -8.103 1.00 0.00 C ATOM 1158 C VAL A 75 5.361 -2.825 -8.901 1.00 0.00 C ATOM 1159 O VAL A 75 6.533 -2.642 -9.227 1.00 0.00 O ATOM 1160 CB VAL A 75 5.503 -3.985 -6.652 1.00 0.00 C ATOM 1161 CG1 VAL A 75 4.751 -2.858 -5.931 1.00 0.00 C ATOM 1162 CG2 VAL A 75 5.291 -5.287 -5.866 1.00 0.00 C ATOM 0 H VAL A 75 6.516 -5.169 -9.049 1.00 0.00 H new ATOM 0 HA VAL A 75 3.909 -4.176 -8.089 1.00 0.00 H new ATOM 0 HB VAL A 75 6.573 -3.781 -6.697 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.108 -2.781 -4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.927 -1.915 -6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.683 -3.077 -5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.664 -5.163 -4.849 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.228 -5.525 -5.836 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.831 -6.099 -6.354 1.00 0.00 H new ATOM 1172 N LEU A 76 4.380 -1.951 -9.195 1.00 0.00 N ATOM 1173 CA LEU A 76 4.549 -0.727 -9.988 1.00 0.00 C ATOM 1174 C LEU A 76 4.246 0.531 -9.162 1.00 0.00 C ATOM 1175 O LEU A 76 3.145 0.645 -8.623 1.00 0.00 O ATOM 1176 CB LEU A 76 3.590 -0.764 -11.192 1.00 0.00 C ATOM 1177 CG LEU A 76 4.204 -0.115 -12.443 1.00 0.00 C ATOM 1178 CD1 LEU A 76 5.131 -1.099 -13.171 1.00 0.00 C ATOM 1179 CD2 LEU A 76 3.093 0.334 -13.397 1.00 0.00 C ATOM 0 H LEU A 76 3.420 -2.085 -8.876 1.00 0.00 H new ATOM 0 HA LEU A 76 5.587 -0.685 -10.317 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.327 -1.798 -11.413 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.665 -0.248 -10.934 1.00 0.00 H new ATOM 0 HG LEU A 76 4.788 0.749 -12.125 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.553 -0.617 -14.053 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.937 -1.402 -12.502 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.562 -1.977 -13.475 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.536 0.793 -14.281 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.499 -0.530 -13.696 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.453 1.059 -12.894 1.00 0.00 H new ATOM 1191 N SER A 77 5.192 1.480 -9.086 1.00 0.00 N ATOM 1192 CA SER A 77 5.057 2.721 -8.317 1.00 0.00 C ATOM 1193 C SER A 77 4.947 3.949 -9.235 1.00 0.00 C ATOM 1194 O SER A 77 5.744 4.080 -10.162 1.00 0.00 O ATOM 1195 CB SER A 77 6.264 2.896 -7.376 1.00 0.00 C ATOM 1196 OG SER A 77 7.136 1.780 -7.390 1.00 0.00 O ATOM 0 H SER A 77 6.088 1.402 -9.567 1.00 0.00 H new ATOM 0 HA SER A 77 4.139 2.646 -7.734 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.819 3.789 -7.666 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.906 3.059 -6.359 1.00 0.00 H new ATOM 0 HG SER A 77 7.885 1.942 -6.779 1.00 0.00 H new ATOM 1202 N GLU A 78 4.002 4.858 -8.947 1.00 0.00 N ATOM 1203 CA GLU A 78 3.784 6.113 -9.680 1.00 0.00 C ATOM 1204 C GLU A 78 3.450 7.258 -8.706 1.00 0.00 C ATOM 1205 O GLU A 78 2.968 6.993 -7.605 1.00 0.00 O ATOM 1206 CB GLU A 78 2.629 5.921 -10.678 1.00 0.00 C ATOM 1207 CG GLU A 78 3.049 5.194 -11.967 1.00 0.00 C ATOM 1208 CD GLU A 78 3.948 6.051 -12.855 1.00 0.00 C ATOM 1209 OE1 GLU A 78 3.400 6.993 -13.468 1.00 0.00 O ATOM 1210 OE2 GLU A 78 5.160 5.753 -12.908 1.00 0.00 O ATOM 0 H GLU A 78 3.349 4.735 -8.173 1.00 0.00 H new ATOM 0 HA GLU A 78 4.696 6.375 -10.217 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.831 5.357 -10.195 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.217 6.896 -10.938 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.572 4.273 -11.707 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.158 4.908 -12.526 1.00 0.00 H new ATOM 1217 N PRO A 79 3.671 8.531 -9.092 1.00 0.00 N ATOM 1218 CA PRO A 79 3.363 9.704 -8.275 1.00 0.00 C ATOM 1219 C PRO A 79 1.850 9.938 -8.168 1.00 0.00 C ATOM 1220 O PRO A 79 1.157 9.936 -9.184 1.00 0.00 O ATOM 1221 CB PRO A 79 4.057 10.879 -8.972 1.00 0.00 C ATOM 1222 CG PRO A 79 4.099 10.449 -10.439 1.00 0.00 C ATOM 1223 CD PRO A 79 4.298 8.938 -10.342 1.00 0.00 C ATOM 0 HA PRO A 79 3.713 9.577 -7.251 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.502 11.808 -8.842 1.00 0.00 H new ATOM 0 HB3 PRO A 79 5.058 11.047 -8.574 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.177 10.703 -10.962 1.00 0.00 H new ATOM 0 HG3 PRO A 79 4.914 10.931 -10.979 1.00 0.00 H new ATOM 0 HD2 PRO A 79 3.842 8.429 -11.191 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.358 8.683 -10.349 1.00 0.00 H new ATOM 1231 N HIS A 80 1.342 10.146 -6.942 1.00 0.00 N ATOM 1232 CA HIS A 80 -0.080 10.341 -6.664 1.00 0.00 C ATOM 1233 C HIS A 80 -0.335 11.679 -5.949 1.00 0.00 C ATOM 1234 O HIS A 80 0.122 11.858 -4.827 1.00 0.00 O ATOM 1235 CB HIS A 80 -0.541 9.161 -5.798 1.00 0.00 C ATOM 1236 CG HIS A 80 -2.029 8.956 -5.784 1.00 0.00 C ATOM 1237 ND1 HIS A 80 -2.720 8.478 -6.886 1.00 0.00 N ATOM 1238 CD2 HIS A 80 -2.928 9.136 -4.765 1.00 0.00 C ATOM 1239 CE1 HIS A 80 -4.004 8.387 -6.512 1.00 0.00 C ATOM 1240 NE2 HIS A 80 -4.176 8.779 -5.238 1.00 0.00 N ATOM 0 H HIS A 80 1.924 10.183 -6.105 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.643 10.377 -7.597 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.063 8.250 -6.159 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.197 9.318 -4.776 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.701 9.493 -3.771 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.801 8.042 -7.154 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -5.055 8.807 -4.722 1.00 0.00 H new ATOM 1249 N HIS A 81 -1.071 12.620 -6.562 1.00 0.00 N ATOM 1250 CA HIS A 81 -1.351 13.925 -5.952 1.00 0.00 C ATOM 1251 C HIS A 81 -2.848 14.097 -5.632 1.00 0.00 C ATOM 1252 O HIS A 81 -3.547 14.785 -6.375 1.00 0.00 O ATOM 1253 CB HIS A 81 -0.838 15.035 -6.887 1.00 0.00 C ATOM 1254 CG HIS A 81 -0.765 16.411 -6.261 1.00 0.00 C ATOM 1255 ND1 HIS A 81 -0.616 16.626 -4.897 1.00 0.00 N ATOM 1256 CD2 HIS A 81 -0.757 17.639 -6.873 1.00 0.00 C ATOM 1257 CE1 HIS A 81 -0.513 17.953 -4.727 1.00 0.00 C ATOM 1258 NE2 HIS A 81 -0.593 18.604 -5.898 1.00 0.00 N ATOM 0 H HIS A 81 -1.484 12.497 -7.486 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.827 13.991 -4.998 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.155 14.760 -7.243 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -1.488 15.083 -7.761 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -0.861 17.820 -7.933 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.382 18.436 -3.770 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.543 19.613 -6.040 1.00 0.00 H new ATOM 1267 N PRO A 82 -3.366 13.497 -4.544 1.00 0.00 N ATOM 1268 CA PRO A 82 -4.779 13.564 -4.194 1.00 0.00 C ATOM 1269 C PRO A 82 -5.153 14.948 -3.650 1.00 0.00 C ATOM 1270 O PRO A 82 -4.347 15.601 -2.988 1.00 0.00 O ATOM 1271 CB PRO A 82 -4.992 12.466 -3.149 1.00 0.00 C ATOM 1272 CG PRO A 82 -3.630 12.370 -2.464 1.00 0.00 C ATOM 1273 CD PRO A 82 -2.656 12.640 -3.612 1.00 0.00 C ATOM 0 HA PRO A 82 -5.419 13.412 -5.063 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.780 12.729 -2.444 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.279 11.521 -3.610 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.526 13.103 -1.664 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.469 11.388 -2.019 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.749 13.124 -3.249 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.350 11.710 -4.092 1.00 0.00 H new ATOM 1281 N SER A 83 -6.382 15.388 -3.945 1.00 0.00 N ATOM 1282 CA SER A 83 -6.908 16.686 -3.545 1.00 0.00 C ATOM 1283 C SER A 83 -7.238 16.701 -2.052 1.00 0.00 C ATOM 1284 O SER A 83 -7.834 15.755 -1.537 1.00 0.00 O ATOM 1285 CB SER A 83 -8.157 17.004 -4.374 1.00 0.00 C ATOM 1286 OG SER A 83 -7.848 16.962 -5.752 1.00 0.00 O ATOM 0 H SER A 83 -7.049 14.834 -4.481 1.00 0.00 H new ATOM 0 HA SER A 83 -6.150 17.448 -3.727 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.946 16.286 -4.148 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.538 17.990 -4.109 1.00 0.00 H new ATOM 0 HG SER A 83 -8.652 17.165 -6.274 1.00 0.00 H new ATOM 1292 N GLY A 84 -6.854 17.784 -1.363 1.00 0.00 N ATOM 1293 CA GLY A 84 -7.059 17.945 0.070 1.00 0.00 C ATOM 1294 C GLY A 84 -6.094 17.076 0.877 1.00 0.00 C ATOM 1295 O GLY A 84 -5.270 16.356 0.312 1.00 0.00 O ATOM 0 H GLY A 84 -6.387 18.580 -1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.922 18.991 0.343 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.086 17.681 0.323 1.00 0.00 H new ATOM 1299 N GLU A 85 -6.220 17.142 2.207 1.00 0.00 N ATOM 1300 CA GLU A 85 -5.502 16.280 3.134 1.00 0.00 C ATOM 1301 C GLU A 85 -6.460 15.206 3.649 1.00 0.00 C ATOM 1302 O GLU A 85 -7.541 15.515 4.148 1.00 0.00 O ATOM 1303 CB GLU A 85 -4.890 17.097 4.282 1.00 0.00 C ATOM 1304 CG GLU A 85 -3.736 17.975 3.772 1.00 0.00 C ATOM 1305 CD GLU A 85 -2.919 18.607 4.899 1.00 0.00 C ATOM 1306 OE1 GLU A 85 -3.477 18.758 6.007 1.00 0.00 O ATOM 1307 OE2 GLU A 85 -1.737 18.921 4.630 1.00 0.00 O ATOM 0 H GLU A 85 -6.836 17.810 2.671 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.672 15.795 2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.657 17.724 4.737 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.526 16.425 5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.077 17.372 3.148 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.141 18.764 3.138 1.00 0.00 H new ATOM 1314 N LEU A 86 -6.050 13.941 3.510 1.00 0.00 N ATOM 1315 CA LEU A 86 -6.779 12.771 3.984 1.00 0.00 C ATOM 1316 C LEU A 86 -6.816 12.761 5.518 1.00 0.00 C ATOM 1317 O LEU A 86 -5.949 13.347 6.165 1.00 0.00 O ATOM 1318 CB LEU A 86 -6.092 11.504 3.438 1.00 0.00 C ATOM 1319 CG LEU A 86 -6.955 10.640 2.505 1.00 0.00 C ATOM 1320 CD1 LEU A 86 -7.431 11.403 1.262 1.00 0.00 C ATOM 1321 CD2 LEU A 86 -6.150 9.423 2.049 1.00 0.00 C ATOM 0 H LEU A 86 -5.172 13.701 3.049 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.808 12.800 3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.191 11.802 2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.773 10.892 4.281 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.836 10.342 3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.036 10.743 0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.029 12.261 1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.567 11.747 0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.761 8.810 1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.259 9.755 1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.855 8.835 2.918 1.00 0.00 H new ATOM 1333 N THR A 87 -7.823 12.092 6.093 1.00 0.00 N ATOM 1334 CA THR A 87 -8.029 12.040 7.534 1.00 0.00 C ATOM 1335 C THR A 87 -7.137 10.945 8.125 1.00 0.00 C ATOM 1336 O THR A 87 -6.095 11.250 8.703 1.00 0.00 O ATOM 1337 CB THR A 87 -9.526 11.853 7.836 1.00 0.00 C ATOM 1338 OG1 THR A 87 -10.260 12.888 7.214 1.00 0.00 O ATOM 1339 CG2 THR A 87 -9.806 11.890 9.341 1.00 0.00 C ATOM 0 H THR A 87 -8.520 11.570 5.562 1.00 0.00 H new ATOM 0 HA THR A 87 -7.738 12.976 8.010 1.00 0.00 H new ATOM 0 HB THR A 87 -9.826 10.878 7.452 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.215 12.771 7.403 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.873 11.755 9.516 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.253 11.090 9.834 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.491 12.852 9.746 1.00 0.00 H new ATOM 1347 N ASP A 88 -7.541 9.678 7.964 1.00 0.00 N ATOM 1348 CA ASP A 88 -6.829 8.504 8.454 1.00 0.00 C ATOM 1349 C ASP A 88 -6.640 7.498 7.320 1.00 0.00 C ATOM 1350 O ASP A 88 -7.265 7.604 6.265 1.00 0.00 O ATOM 1351 CB ASP A 88 -7.613 7.852 9.605 1.00 0.00 C ATOM 1352 CG ASP A 88 -7.579 8.678 10.887 1.00 0.00 C ATOM 1353 OD1 ASP A 88 -6.459 8.883 11.403 1.00 0.00 O ATOM 1354 OD2 ASP A 88 -8.675 9.067 11.344 1.00 0.00 O ATOM 0 H ASP A 88 -8.402 9.441 7.472 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.851 8.814 8.823 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.649 7.709 9.298 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.201 6.863 9.805 1.00 0.00 H new ATOM 1359 N PHE A 89 -5.787 6.501 7.570 1.00 0.00 N ATOM 1360 CA PHE A 89 -5.594 5.352 6.702 1.00 0.00 C ATOM 1361 C PHE A 89 -6.745 4.353 6.884 1.00 0.00 C ATOM 1362 O PHE A 89 -7.322 4.275 7.969 1.00 0.00 O ATOM 1363 CB PHE A 89 -4.229 4.729 7.009 1.00 0.00 C ATOM 1364 CG PHE A 89 -3.975 3.398 6.336 1.00 0.00 C ATOM 1365 CD1 PHE A 89 -4.343 2.210 6.991 1.00 0.00 C ATOM 1366 CD2 PHE A 89 -3.489 3.349 5.018 1.00 0.00 C ATOM 1367 CE1 PHE A 89 -4.276 0.986 6.311 1.00 0.00 C ATOM 1368 CE2 PHE A 89 -3.402 2.120 4.344 1.00 0.00 C ATOM 1369 CZ PHE A 89 -3.820 0.940 4.983 1.00 0.00 C ATOM 0 H PHE A 89 -5.200 6.476 8.404 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.604 5.657 5.655 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.450 5.428 6.706 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.139 4.598 8.087 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.677 2.240 8.018 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.182 4.258 4.523 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.576 0.076 6.809 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.015 2.082 3.337 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.791 -0.001 4.454 1.00 0.00 H new ATOM 1379 N ARG A 90 -7.076 3.585 5.835 1.00 0.00 N ATOM 1380 CA ARG A 90 -8.136 2.579 5.878 1.00 0.00 C ATOM 1381 C ARG A 90 -7.844 1.440 4.892 1.00 0.00 C ATOM 1382 O ARG A 90 -6.778 1.411 4.285 1.00 0.00 O ATOM 1383 CB ARG A 90 -9.500 3.251 5.651 1.00 0.00 C ATOM 1384 CG ARG A 90 -9.655 3.798 4.226 1.00 0.00 C ATOM 1385 CD ARG A 90 -10.812 4.795 4.121 1.00 0.00 C ATOM 1386 NE ARG A 90 -12.083 4.226 4.592 1.00 0.00 N ATOM 1387 CZ ARG A 90 -13.192 4.947 4.837 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -13.222 6.263 4.583 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -14.278 4.345 5.339 1.00 0.00 N ATOM 0 H ARG A 90 -6.610 3.649 4.930 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.170 2.118 6.865 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.294 2.531 5.849 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.624 4.065 6.365 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.728 4.284 3.921 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.824 2.971 3.536 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.576 5.685 4.705 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.921 5.114 3.084 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.127 3.218 4.743 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.399 6.727 4.200 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.068 6.800 4.773 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.262 3.344 5.534 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.121 4.888 5.526 1.00 0.00 H new ATOM 1403 N ILE A 91 -8.768 0.482 4.746 1.00 0.00 N ATOM 1404 CA ILE A 91 -8.608 -0.679 3.869 1.00 0.00 C ATOM 1405 C ILE A 91 -9.914 -0.964 3.120 1.00 0.00 C ATOM 1406 O ILE A 91 -10.926 -0.304 3.357 1.00 0.00 O ATOM 1407 CB ILE A 91 -8.135 -1.906 4.680 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -9.096 -2.239 5.837 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -6.712 -1.680 5.207 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -8.926 -3.680 6.328 1.00 0.00 C ATOM 0 H ILE A 91 -9.659 0.494 5.242 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.841 -0.460 3.126 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.132 -2.763 4.007 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.920 -1.551 6.664 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -10.124 -2.087 5.509 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.392 -2.553 5.776 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.034 -1.525 4.368 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.698 -0.801 5.852 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.623 -3.871 7.144 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.128 -4.370 5.509 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.905 -3.826 6.681 1.00 0.00 H new