USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=12 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.0278 K(o=0.028,f=-0.68) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -21:sc= 0.208 USER MOD Single : A 23 THR OG1 : rot -87:sc= 0.68 USER MOD Single : A 24 GLN : amide:sc= -0.0654 K(o=-0.065,f=-0.97) 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 73:sc=-0.00237 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= -0.925 K(o=-0.92,f=-4!) USER MOD Single : A 43 SER OG : rot -170:sc= -0.148 USER MOD Single : A 54 GLN : amide:sc= -0.0306 X(o=-0.031,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= 0.0164 X(o=0.016,f=-0.18) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.524 X(o=-0.52,f=-0.36) USER MOD Single : A 81 HIS : no HD1:sc= -0.0741 K(o=-0.074,f=-0.6) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.107 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 4.745 19.932 0.845 1.00 0.00 N ATOM 21 CA SER A 2 5.943 19.204 1.246 1.00 0.00 C ATOM 22 C SER A 2 5.758 17.697 1.026 1.00 0.00 C ATOM 23 O SER A 2 6.681 17.024 0.571 1.00 0.00 O ATOM 24 CB SER A 2 6.267 19.533 2.711 1.00 0.00 C ATOM 25 OG SER A 2 7.613 19.220 3.000 1.00 0.00 O ATOM 0 HA SER A 2 6.786 19.514 0.629 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.084 20.590 2.902 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.607 18.971 3.371 1.00 0.00 H new ATOM 0 HG SER A 2 7.805 19.436 3.936 1.00 0.00 H new ATOM 31 N LYS A 3 4.568 17.174 1.352 1.00 0.00 N ATOM 32 CA LYS A 3 4.243 15.755 1.266 1.00 0.00 C ATOM 33 C LYS A 3 4.219 15.236 -0.179 1.00 0.00 C ATOM 34 O LYS A 3 3.955 15.991 -1.115 1.00 0.00 O ATOM 35 CB LYS A 3 2.912 15.477 1.991 1.00 0.00 C ATOM 36 CG LYS A 3 1.645 15.590 1.126 1.00 0.00 C ATOM 37 CD LYS A 3 1.375 16.967 0.506 1.00 0.00 C ATOM 38 CE LYS A 3 0.918 18.009 1.536 1.00 0.00 C ATOM 39 NZ LYS A 3 0.210 19.129 0.891 1.00 0.00 N ATOM 0 H LYS A 3 3.792 17.743 1.689 1.00 0.00 H new ATOM 0 HA LYS A 3 5.040 15.203 1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.953 14.473 2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.823 16.171 2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.712 14.858 0.321 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.786 15.314 1.737 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.281 17.322 0.015 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.612 16.868 -0.266 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.263 17.536 2.268 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.783 18.389 2.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.086 19.815 1.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.844 19.594 0.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.629 18.769 0.393 1.00 0.00 H new ATOM 53 N VAL A 4 4.491 13.937 -0.343 1.00 0.00 N ATOM 54 CA VAL A 4 4.639 13.288 -1.637 1.00 0.00 C ATOM 55 C VAL A 4 3.941 11.934 -1.579 1.00 0.00 C ATOM 56 O VAL A 4 4.552 10.922 -1.240 1.00 0.00 O ATOM 57 CB VAL A 4 6.131 13.205 -2.037 1.00 0.00 C ATOM 58 CG1 VAL A 4 7.092 12.687 -0.960 1.00 0.00 C ATOM 59 CG2 VAL A 4 6.309 12.395 -3.330 1.00 0.00 C ATOM 0 H VAL A 4 4.616 13.298 0.443 1.00 0.00 H new ATOM 0 HA VAL A 4 4.162 13.872 -2.424 1.00 0.00 H new ATOM 0 HB VAL A 4 6.416 14.246 -2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.108 12.673 -1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.050 13.342 -0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.802 11.677 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.367 12.352 -3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.930 11.384 -3.181 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.756 12.874 -4.138 1.00 0.00 H new ATOM 69 N CYS A 5 2.645 11.919 -1.896 1.00 0.00 N ATOM 70 CA CYS A 5 1.898 10.673 -1.923 1.00 0.00 C ATOM 71 C CYS A 5 2.179 9.924 -3.224 1.00 0.00 C ATOM 72 O CYS A 5 2.478 10.541 -4.245 1.00 0.00 O ATOM 73 CB CYS A 5 0.391 10.876 -1.701 1.00 0.00 C ATOM 74 SG CYS A 5 -0.139 12.210 -0.585 1.00 0.00 S ATOM 0 H CYS A 5 2.101 12.748 -2.134 1.00 0.00 H new ATOM 0 HA CYS A 5 2.242 10.066 -1.085 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.068 11.053 -2.674 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.019 9.940 -1.320 1.00 0.00 H new ATOM 79 N ILE A 6 2.103 8.591 -3.178 1.00 0.00 N ATOM 80 CA ILE A 6 2.364 7.752 -4.349 1.00 0.00 C ATOM 81 C ILE A 6 1.309 6.643 -4.435 1.00 0.00 C ATOM 82 O ILE A 6 0.688 6.312 -3.426 1.00 0.00 O ATOM 83 CB ILE A 6 3.820 7.225 -4.344 1.00 0.00 C ATOM 84 CG1 ILE A 6 4.363 6.839 -2.965 1.00 0.00 C ATOM 85 CG2 ILE A 6 4.798 8.240 -4.955 1.00 0.00 C ATOM 86 CD1 ILE A 6 3.494 5.749 -2.357 1.00 0.00 C ATOM 0 H ILE A 6 1.861 8.068 -2.336 1.00 0.00 H new ATOM 0 HA ILE A 6 2.274 8.348 -5.257 1.00 0.00 H new ATOM 0 HB ILE A 6 3.758 6.320 -4.948 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.392 6.490 -3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.378 7.712 -2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.808 7.831 -4.932 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.513 8.445 -5.987 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.768 9.166 -4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.884 5.478 -1.376 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.472 6.114 -2.253 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.502 4.873 -3.006 1.00 0.00 H new ATOM 98 N ILE A 7 1.092 6.086 -5.634 1.00 0.00 N ATOM 99 CA ILE A 7 0.165 4.981 -5.877 1.00 0.00 C ATOM 100 C ILE A 7 0.943 3.755 -6.363 1.00 0.00 C ATOM 101 O ILE A 7 1.562 3.803 -7.424 1.00 0.00 O ATOM 102 CB ILE A 7 -0.979 5.400 -6.826 1.00 0.00 C ATOM 103 CG1 ILE A 7 -1.878 4.187 -7.132 1.00 0.00 C ATOM 104 CG2 ILE A 7 -0.515 6.056 -8.135 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.320 4.600 -7.435 1.00 0.00 C ATOM 0 H ILE A 7 1.569 6.401 -6.479 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.324 4.705 -4.943 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.539 6.170 -6.294 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.472 3.641 -7.983 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.868 3.505 -6.282 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.384 6.317 -8.739 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.054 6.958 -7.908 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.115 5.359 -8.688 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.916 3.712 -7.645 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.737 5.123 -6.574 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.335 5.260 -8.302 1.00 0.00 H new ATOM 117 N ALA A 8 0.916 2.674 -5.572 1.00 0.00 N ATOM 118 CA ALA A 8 1.634 1.429 -5.810 1.00 0.00 C ATOM 119 C ALA A 8 0.643 0.310 -6.136 1.00 0.00 C ATOM 120 O ALA A 8 -0.004 -0.227 -5.236 1.00 0.00 O ATOM 121 CB ALA A 8 2.481 1.089 -4.578 1.00 0.00 C ATOM 0 H ALA A 8 0.367 2.649 -4.713 1.00 0.00 H new ATOM 0 HA ALA A 8 2.301 1.541 -6.665 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.020 0.158 -4.753 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.195 1.892 -4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.831 0.975 -3.710 1.00 0.00 H new ATOM 127 N TRP A 9 0.538 -0.045 -7.422 1.00 0.00 N ATOM 128 CA TRP A 9 -0.297 -1.146 -7.895 1.00 0.00 C ATOM 129 C TRP A 9 0.456 -2.464 -7.756 1.00 0.00 C ATOM 130 O TRP A 9 1.466 -2.650 -8.430 1.00 0.00 O ATOM 131 CB TRP A 9 -0.665 -0.922 -9.363 1.00 0.00 C ATOM 132 CG TRP A 9 -1.605 0.212 -9.608 1.00 0.00 C ATOM 133 CD1 TRP A 9 -2.915 0.203 -9.284 1.00 0.00 C ATOM 134 CD2 TRP A 9 -1.358 1.505 -10.232 1.00 0.00 C ATOM 135 NE1 TRP A 9 -3.498 1.401 -9.634 1.00 0.00 N ATOM 136 CE2 TRP A 9 -2.580 2.241 -10.231 1.00 0.00 C ATOM 137 CE3 TRP A 9 -0.234 2.129 -10.814 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -2.677 3.535 -10.763 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -0.332 3.410 -11.387 1.00 0.00 C ATOM 140 CH2 TRP A 9 -1.546 4.118 -11.353 1.00 0.00 C ATOM 0 H TRP A 9 1.039 0.434 -8.171 1.00 0.00 H new ATOM 0 HA TRP A 9 -1.206 -1.185 -7.295 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.250 -0.746 -9.929 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -1.111 -1.836 -9.754 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -3.431 -0.623 -8.818 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.477 1.636 -9.473 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.716 1.615 -10.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.611 4.076 -10.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.533 3.854 -11.857 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.608 5.108 -11.780 1.00 0.00 H new ATOM 151 N VAL A 10 -0.040 -3.373 -6.905 1.00 0.00 N ATOM 152 CA VAL A 10 0.609 -4.648 -6.617 1.00 0.00 C ATOM 153 C VAL A 10 -0.046 -5.739 -7.472 1.00 0.00 C ATOM 154 O VAL A 10 -1.215 -6.065 -7.265 1.00 0.00 O ATOM 155 CB VAL A 10 0.520 -4.988 -5.115 1.00 0.00 C ATOM 156 CG1 VAL A 10 1.512 -6.105 -4.763 1.00 0.00 C ATOM 157 CG2 VAL A 10 0.823 -3.802 -4.189 1.00 0.00 C ATOM 0 H VAL A 10 -0.913 -3.237 -6.395 1.00 0.00 H new ATOM 0 HA VAL A 10 1.668 -4.581 -6.866 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.514 -5.292 -4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.439 -6.335 -3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.277 -6.997 -5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.526 -5.778 -4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.740 -4.121 -3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.834 -3.442 -4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.110 -3.000 -4.380 1.00 0.00 H new ATOM 167 N TYR A 11 0.711 -6.303 -8.423 1.00 0.00 N ATOM 168 CA TYR A 11 0.268 -7.381 -9.300 1.00 0.00 C ATOM 169 C TYR A 11 0.521 -8.749 -8.665 1.00 0.00 C ATOM 170 O TYR A 11 1.155 -8.857 -7.615 1.00 0.00 O ATOM 171 CB TYR A 11 0.946 -7.267 -10.672 1.00 0.00 C ATOM 172 CG TYR A 11 0.536 -6.039 -11.463 1.00 0.00 C ATOM 173 CD1 TYR A 11 1.200 -4.811 -11.280 1.00 0.00 C ATOM 174 CD2 TYR A 11 -0.507 -6.134 -12.403 1.00 0.00 C ATOM 175 CE1 TYR A 11 0.849 -3.699 -12.065 1.00 0.00 C ATOM 176 CE2 TYR A 11 -0.839 -5.030 -13.204 1.00 0.00 C ATOM 177 CZ TYR A 11 -0.148 -3.816 -13.047 1.00 0.00 C ATOM 178 OH TYR A 11 -0.441 -2.751 -13.849 1.00 0.00 O ATOM 0 H TYR A 11 1.671 -6.011 -8.603 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.808 -7.285 -9.445 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.027 -7.252 -10.532 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.713 -8.157 -11.256 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.979 -4.723 -10.537 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.054 -7.059 -12.508 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.347 -2.753 -11.913 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.625 -5.113 -13.940 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.153 -2.999 -14.475 1.00 0.00 H new ATOM 188 N GLY A 12 0.013 -9.801 -9.318 1.00 0.00 N ATOM 189 CA GLY A 12 0.122 -11.167 -8.847 1.00 0.00 C ATOM 190 C GLY A 12 -0.860 -11.457 -7.717 1.00 0.00 C ATOM 191 O GLY A 12 -1.775 -10.677 -7.455 1.00 0.00 O ATOM 0 H GLY A 12 -0.491 -9.715 -10.201 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.063 -11.852 -9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.139 -11.352 -8.501 1.00 0.00 H new ATOM 195 N ARG A 13 -0.684 -12.616 -7.077 1.00 0.00 N ATOM 196 CA ARG A 13 -1.667 -13.173 -6.162 1.00 0.00 C ATOM 197 C ARG A 13 -1.546 -12.586 -4.765 1.00 0.00 C ATOM 198 O ARG A 13 -0.890 -13.159 -3.902 1.00 0.00 O ATOM 199 CB ARG A 13 -1.542 -14.690 -6.103 1.00 0.00 C ATOM 200 CG ARG A 13 -1.701 -15.284 -7.503 1.00 0.00 C ATOM 201 CD ARG A 13 -2.130 -16.747 -7.420 1.00 0.00 C ATOM 202 NE ARG A 13 -2.535 -17.228 -8.745 1.00 0.00 N ATOM 203 CZ ARG A 13 -3.272 -18.326 -8.971 1.00 0.00 C ATOM 204 NH1 ARG A 13 -3.601 -19.151 -7.967 1.00 0.00 N ATOM 205 NH2 ARG A 13 -3.685 -18.592 -10.217 1.00 0.00 N ATOM 0 H ARG A 13 0.151 -13.192 -7.184 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.651 -12.907 -6.548 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.572 -14.967 -5.690 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.301 -15.100 -5.437 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.441 -14.714 -8.064 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.759 -15.206 -8.046 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.309 -17.354 -7.039 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.957 -16.853 -6.718 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.234 -16.687 -9.556 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.290 -18.947 -7.017 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.162 -19.982 -8.153 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.439 -17.963 -10.981 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.246 -19.424 -10.402 1.00 0.00 H new ATOM 219 N VAL A 14 -2.195 -11.441 -4.566 1.00 0.00 N ATOM 220 CA VAL A 14 -2.091 -10.658 -3.344 1.00 0.00 C ATOM 221 C VAL A 14 -3.449 -10.555 -2.646 1.00 0.00 C ATOM 222 O VAL A 14 -3.520 -10.714 -1.430 1.00 0.00 O ATOM 223 CB VAL A 14 -1.457 -9.296 -3.665 1.00 0.00 C ATOM 224 CG1 VAL A 14 -1.177 -8.506 -2.379 1.00 0.00 C ATOM 225 CG2 VAL A 14 -0.117 -9.525 -4.381 1.00 0.00 C ATOM 0 H VAL A 14 -2.816 -11.028 -5.261 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.435 -11.158 -2.632 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.150 -8.734 -4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.728 -7.546 -2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.112 -8.340 -1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.492 -9.071 -1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.341 -8.563 -4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.548 -10.097 -3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.288 -10.078 -5.305 1.00 0.00 H new ATOM 235 N GLN A 15 -4.537 -10.316 -3.389 1.00 0.00 N ATOM 236 CA GLN A 15 -5.871 -10.337 -2.799 1.00 0.00 C ATOM 237 C GLN A 15 -6.247 -11.761 -2.381 1.00 0.00 C ATOM 238 O GLN A 15 -5.814 -12.730 -3.004 1.00 0.00 O ATOM 239 CB GLN A 15 -6.911 -9.708 -3.732 1.00 0.00 C ATOM 240 CG GLN A 15 -7.144 -10.427 -5.058 1.00 0.00 C ATOM 241 CD GLN A 15 -8.235 -9.698 -5.835 1.00 0.00 C ATOM 242 OE1 GLN A 15 -9.291 -10.261 -6.107 1.00 0.00 O ATOM 243 NE2 GLN A 15 -7.997 -8.428 -6.166 1.00 0.00 N ATOM 0 H GLN A 15 -4.516 -10.109 -4.387 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.859 -9.723 -1.899 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.861 -9.653 -3.200 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.605 -8.684 -3.946 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.222 -10.453 -5.639 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.437 -11.461 -4.879 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.106 -7.996 -5.922 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.706 -7.889 -6.663 1.00 0.00 H new ATOM 252 N GLY A 16 -7.045 -11.878 -1.314 1.00 0.00 N ATOM 253 CA GLY A 16 -7.588 -13.142 -0.846 1.00 0.00 C ATOM 254 C GLY A 16 -6.790 -13.758 0.304 1.00 0.00 C ATOM 255 O GLY A 16 -7.384 -14.422 1.151 1.00 0.00 O ATOM 0 H GLY A 16 -7.332 -11.080 -0.748 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.618 -12.989 -0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.616 -13.847 -1.677 1.00 0.00 H new ATOM 259 N VAL A 17 -5.467 -13.538 0.370 1.00 0.00 N ATOM 260 CA VAL A 17 -4.636 -14.096 1.436 1.00 0.00 C ATOM 261 C VAL A 17 -4.835 -13.371 2.775 1.00 0.00 C ATOM 262 O VAL A 17 -4.183 -13.714 3.760 1.00 0.00 O ATOM 263 CB VAL A 17 -3.149 -14.125 1.025 1.00 0.00 C ATOM 264 CG1 VAL A 17 -2.965 -14.653 -0.405 1.00 0.00 C ATOM 265 CG2 VAL A 17 -2.442 -12.772 1.164 1.00 0.00 C ATOM 0 H VAL A 17 -4.953 -12.975 -0.308 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.963 -15.124 1.588 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.679 -14.810 1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.905 -14.658 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.359 -15.667 -0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.501 -14.009 -1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.401 -12.872 0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.938 -12.036 0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.484 -12.445 2.203 1.00 0.00 H new ATOM 275 N GLY A 18 -5.699 -12.348 2.810 1.00 0.00 N ATOM 276 CA GLY A 18 -5.848 -11.447 3.933 1.00 0.00 C ATOM 277 C GLY A 18 -4.624 -10.546 4.073 1.00 0.00 C ATOM 278 O GLY A 18 -4.228 -10.229 5.191 1.00 0.00 O ATOM 0 H GLY A 18 -6.323 -12.129 2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.741 -10.836 3.799 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.989 -12.021 4.849 1.00 0.00 H new ATOM 282 N PHE A 19 -4.042 -10.122 2.940 1.00 0.00 N ATOM 283 CA PHE A 19 -2.893 -9.223 2.902 1.00 0.00 C ATOM 284 C PHE A 19 -3.138 -7.978 3.755 1.00 0.00 C ATOM 285 O PHE A 19 -2.238 -7.503 4.437 1.00 0.00 O ATOM 286 CB PHE A 19 -2.590 -8.818 1.451 1.00 0.00 C ATOM 287 CG PHE A 19 -1.122 -8.529 1.206 1.00 0.00 C ATOM 288 CD1 PHE A 19 -0.251 -9.600 0.939 1.00 0.00 C ATOM 289 CD2 PHE A 19 -0.603 -7.229 1.346 1.00 0.00 C ATOM 290 CE1 PHE A 19 1.131 -9.383 0.819 1.00 0.00 C ATOM 291 CE2 PHE A 19 0.787 -7.022 1.278 1.00 0.00 C ATOM 292 CZ PHE A 19 1.653 -8.094 1.009 1.00 0.00 C ATOM 0 H PHE A 19 -4.366 -10.402 2.014 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.034 -9.752 3.315 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.913 -9.616 0.783 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.175 -7.934 1.198 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.648 -10.598 0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.269 -6.393 1.505 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.790 -10.205 0.581 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.190 -6.032 1.434 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.718 -7.927 0.948 1.00 0.00 H new ATOM 302 N ARG A 20 -4.371 -7.464 3.720 1.00 0.00 N ATOM 303 CA ARG A 20 -4.805 -6.263 4.414 1.00 0.00 C ATOM 304 C ARG A 20 -4.973 -6.469 5.929 1.00 0.00 C ATOM 305 O ARG A 20 -6.039 -6.196 6.480 1.00 0.00 O ATOM 306 CB ARG A 20 -6.114 -5.788 3.767 1.00 0.00 C ATOM 307 CG ARG A 20 -7.244 -6.837 3.841 1.00 0.00 C ATOM 308 CD ARG A 20 -8.600 -6.187 4.157 1.00 0.00 C ATOM 309 NE ARG A 20 -9.521 -7.106 4.840 1.00 0.00 N ATOM 310 CZ ARG A 20 -10.117 -8.183 4.306 1.00 0.00 C ATOM 311 NH1 ARG A 20 -9.930 -8.503 3.019 1.00 0.00 N ATOM 312 NH2 ARG A 20 -10.904 -8.948 5.075 1.00 0.00 N ATOM 0 H ARG A 20 -5.121 -7.898 3.182 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.030 -5.503 4.313 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.444 -4.873 4.259 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.926 -5.539 2.723 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.308 -7.371 2.893 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.006 -7.575 4.607 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.441 -5.308 4.781 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.058 -5.841 3.230 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.728 -6.905 5.818 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.328 -7.925 2.432 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.389 -9.325 2.626 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.045 -8.709 6.057 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.362 -9.769 4.679 1.00 0.00 H new ATOM 326 N TYR A 21 -3.915 -6.927 6.604 1.00 0.00 N ATOM 327 CA TYR A 21 -3.914 -7.223 8.028 1.00 0.00 C ATOM 328 C TYR A 21 -3.040 -6.207 8.758 1.00 0.00 C ATOM 329 O TYR A 21 -3.557 -5.326 9.444 1.00 0.00 O ATOM 330 CB TYR A 21 -3.460 -8.674 8.236 1.00 0.00 C ATOM 331 CG TYR A 21 -3.802 -9.235 9.599 1.00 0.00 C ATOM 332 CD1 TYR A 21 -5.068 -9.813 9.813 1.00 0.00 C ATOM 333 CD2 TYR A 21 -2.872 -9.178 10.652 1.00 0.00 C ATOM 334 CE1 TYR A 21 -5.397 -10.343 11.070 1.00 0.00 C ATOM 335 CE2 TYR A 21 -3.202 -9.710 11.910 1.00 0.00 C ATOM 336 CZ TYR A 21 -4.463 -10.296 12.118 1.00 0.00 C ATOM 337 OH TYR A 21 -4.785 -10.823 13.335 1.00 0.00 O ATOM 0 H TYR A 21 -3.015 -7.105 6.158 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.915 -7.135 8.449 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.918 -9.301 7.471 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.381 -8.731 8.091 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.787 -9.849 9.008 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.904 -8.725 10.494 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.368 -10.787 11.232 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.486 -9.669 12.718 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.030 -10.711 13.950 1.00 0.00 H new ATOM 347 N THR A 22 -1.716 -6.315 8.595 1.00 0.00 N ATOM 348 CA THR A 22 -0.757 -5.426 9.242 1.00 0.00 C ATOM 349 C THR A 22 -0.737 -4.032 8.604 1.00 0.00 C ATOM 350 O THR A 22 -0.236 -3.106 9.232 1.00 0.00 O ATOM 351 CB THR A 22 0.638 -6.068 9.290 1.00 0.00 C ATOM 352 OG1 THR A 22 1.482 -5.311 10.134 1.00 0.00 O ATOM 353 CG2 THR A 22 1.282 -6.186 7.907 1.00 0.00 C ATOM 0 H THR A 22 -1.283 -7.027 8.007 1.00 0.00 H new ATOM 0 HA THR A 22 -1.085 -5.279 10.271 1.00 0.00 H new ATOM 0 HB THR A 22 0.511 -7.078 9.680 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.122 -4.404 10.228 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.265 -6.646 8.002 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.653 -6.802 7.264 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.387 -5.194 7.468 1.00 0.00 H new ATOM 361 N THR A 23 -1.280 -3.876 7.386 1.00 0.00 N ATOM 362 CA THR A 23 -1.382 -2.607 6.666 1.00 0.00 C ATOM 363 C THR A 23 -1.770 -1.427 7.577 1.00 0.00 C ATOM 364 O THR A 23 -1.177 -0.354 7.478 1.00 0.00 O ATOM 365 CB THR A 23 -2.343 -2.792 5.478 1.00 0.00 C ATOM 366 OG1 THR A 23 -2.263 -1.689 4.601 1.00 0.00 O ATOM 367 CG2 THR A 23 -3.801 -3.008 5.895 1.00 0.00 C ATOM 0 H THR A 23 -1.672 -4.659 6.862 1.00 0.00 H new ATOM 0 HA THR A 23 -0.397 -2.336 6.285 1.00 0.00 H new ATOM 0 HB THR A 23 -2.019 -3.702 4.972 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.874 -0.985 4.904 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.419 -3.131 5.006 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.874 -3.902 6.514 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.149 -2.145 6.463 1.00 0.00 H new ATOM 375 N GLN A 24 -2.726 -1.642 8.495 1.00 0.00 N ATOM 376 CA GLN A 24 -3.119 -0.685 9.521 1.00 0.00 C ATOM 377 C GLN A 24 -1.958 -0.429 10.485 1.00 0.00 C ATOM 378 O GLN A 24 -1.501 0.703 10.613 1.00 0.00 O ATOM 379 CB GLN A 24 -4.328 -1.240 10.287 1.00 0.00 C ATOM 380 CG GLN A 24 -5.585 -1.302 9.406 1.00 0.00 C ATOM 381 CD GLN A 24 -6.493 -0.088 9.534 1.00 0.00 C ATOM 382 OE1 GLN A 24 -6.628 0.504 10.602 1.00 0.00 O ATOM 383 NE2 GLN A 24 -7.165 0.256 8.439 1.00 0.00 N ATOM 0 H GLN A 24 -3.256 -2.512 8.538 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.386 0.261 9.049 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.095 -2.238 10.658 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.525 -0.614 11.157 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.281 -1.407 8.365 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.153 -2.196 9.664 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.025 -0.261 7.571 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.821 1.037 8.467 1.00 0.00 H new ATOM 392 N TYR A 25 -1.507 -1.482 11.178 1.00 0.00 N ATOM 393 CA TYR A 25 -0.468 -1.443 12.204 1.00 0.00 C ATOM 394 C TYR A 25 0.772 -0.680 11.727 1.00 0.00 C ATOM 395 O TYR A 25 1.220 0.264 12.371 1.00 0.00 O ATOM 396 CB TYR A 25 -0.112 -2.886 12.611 1.00 0.00 C ATOM 397 CG TYR A 25 0.043 -3.079 14.105 1.00 0.00 C ATOM 398 CD1 TYR A 25 1.225 -2.679 14.753 1.00 0.00 C ATOM 399 CD2 TYR A 25 -1.015 -3.629 14.854 1.00 0.00 C ATOM 400 CE1 TYR A 25 1.360 -2.854 16.142 1.00 0.00 C ATOM 401 CE2 TYR A 25 -0.879 -3.808 16.241 1.00 0.00 C ATOM 402 CZ TYR A 25 0.312 -3.427 16.884 1.00 0.00 C ATOM 403 OH TYR A 25 0.451 -3.613 18.228 1.00 0.00 O ATOM 0 H TYR A 25 -1.874 -2.422 11.030 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.849 -0.905 13.072 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.888 -3.559 12.246 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.817 -3.174 12.119 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.030 -2.237 14.184 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.933 -3.914 14.361 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.269 -2.548 16.639 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.688 -4.238 16.813 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.365 -4.018 18.588 1.00 0.00 H new ATOM 413 N GLU A 26 1.312 -1.099 10.581 1.00 0.00 N ATOM 414 CA GLU A 26 2.462 -0.497 9.922 1.00 0.00 C ATOM 415 C GLU A 26 2.253 0.991 9.651 1.00 0.00 C ATOM 416 O GLU A 26 3.133 1.809 9.918 1.00 0.00 O ATOM 417 CB GLU A 26 2.716 -1.250 8.609 1.00 0.00 C ATOM 418 CG GLU A 26 4.090 -1.931 8.650 1.00 0.00 C ATOM 419 CD GLU A 26 4.330 -2.867 7.472 1.00 0.00 C ATOM 420 OE1 GLU A 26 3.465 -2.904 6.571 1.00 0.00 O ATOM 421 OE2 GLU A 26 5.385 -3.536 7.502 1.00 0.00 O ATOM 0 H GLU A 26 0.941 -1.900 10.070 1.00 0.00 H new ATOM 0 HA GLU A 26 3.327 -0.577 10.581 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.936 -1.995 8.451 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.669 -0.557 7.769 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.867 -1.167 8.663 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.182 -2.495 9.578 1.00 0.00 H new ATOM 428 N ALA A 27 1.073 1.333 9.128 1.00 0.00 N ATOM 429 CA ALA A 27 0.685 2.711 8.879 1.00 0.00 C ATOM 430 C ALA A 27 0.555 3.514 10.177 1.00 0.00 C ATOM 431 O ALA A 27 0.819 4.715 10.180 1.00 0.00 O ATOM 432 CB ALA A 27 -0.603 2.744 8.053 1.00 0.00 C ATOM 0 H ALA A 27 0.360 0.652 8.866 1.00 0.00 H new ATOM 0 HA ALA A 27 1.476 3.194 8.305 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.891 3.779 7.869 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.438 2.238 7.102 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.399 2.238 8.600 1.00 0.00 H new ATOM 438 N LYS A 28 0.184 2.854 11.281 1.00 0.00 N ATOM 439 CA LYS A 28 0.067 3.472 12.594 1.00 0.00 C ATOM 440 C LYS A 28 1.431 3.946 13.111 1.00 0.00 C ATOM 441 O LYS A 28 1.502 4.970 13.787 1.00 0.00 O ATOM 442 CB LYS A 28 -0.566 2.483 13.584 1.00 0.00 C ATOM 443 CG LYS A 28 -1.252 3.224 14.734 1.00 0.00 C ATOM 444 CD LYS A 28 -1.514 2.275 15.907 1.00 0.00 C ATOM 445 CE LYS A 28 -2.116 3.053 17.081 1.00 0.00 C ATOM 446 NZ LYS A 28 -2.190 2.227 18.298 1.00 0.00 N ATOM 0 H LYS A 28 -0.045 1.860 11.280 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.576 4.347 12.502 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.292 1.857 13.065 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.201 1.818 13.981 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.627 4.054 15.063 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.193 3.652 14.388 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.194 1.481 15.599 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.584 1.797 16.215 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.513 3.939 17.278 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.114 3.400 16.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.602 2.786 19.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.786 1.394 18.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.234 1.917 18.566 1.00 0.00 H new ATOM 460 N ARG A 29 2.505 3.203 12.810 1.00 0.00 N ATOM 461 CA ARG A 29 3.849 3.515 13.276 1.00 0.00 C ATOM 462 C ARG A 29 4.355 4.803 12.629 1.00 0.00 C ATOM 463 O ARG A 29 4.853 5.689 13.321 1.00 0.00 O ATOM 464 CB ARG A 29 4.788 2.354 12.948 1.00 0.00 C ATOM 465 CG ARG A 29 4.432 1.084 13.731 1.00 0.00 C ATOM 466 CD ARG A 29 5.036 -0.149 13.046 1.00 0.00 C ATOM 467 NE ARG A 29 5.738 -1.033 13.986 1.00 0.00 N ATOM 468 CZ ARG A 29 6.931 -0.777 14.548 1.00 0.00 C ATOM 469 NH1 ARG A 29 7.576 0.371 14.300 1.00 0.00 N ATOM 470 NH2 ARG A 29 7.480 -1.682 15.369 1.00 0.00 N ATOM 0 H ARG A 29 2.457 2.364 12.232 1.00 0.00 H new ATOM 0 HA ARG A 29 3.824 3.662 14.356 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.745 2.144 11.879 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.814 2.643 13.175 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.806 1.161 14.752 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.349 0.979 13.795 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.243 -0.709 12.550 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.730 0.175 12.271 1.00 0.00 H new ATOM 0 HE ARG A 29 5.283 -1.912 14.232 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.162 1.064 13.677 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.481 0.551 14.734 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.993 -2.557 15.563 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.385 -1.496 15.800 1.00 0.00 H new ATOM 484 N LEU A 30 4.235 4.896 11.301 1.00 0.00 N ATOM 485 CA LEU A 30 4.695 6.053 10.546 1.00 0.00 C ATOM 486 C LEU A 30 3.762 7.246 10.761 1.00 0.00 C ATOM 487 O LEU A 30 4.217 8.388 10.769 1.00 0.00 O ATOM 488 CB LEU A 30 4.758 5.698 9.060 1.00 0.00 C ATOM 489 CG LEU A 30 5.648 4.485 8.745 1.00 0.00 C ATOM 490 CD1 LEU A 30 5.383 4.086 7.293 1.00 0.00 C ATOM 491 CD2 LEU A 30 7.135 4.784 8.959 1.00 0.00 C ATOM 0 H LEU A 30 3.815 4.167 10.724 1.00 0.00 H new ATOM 0 HA LEU A 30 5.689 6.330 10.897 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.748 5.498 8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.128 6.561 8.506 1.00 0.00 H new ATOM 0 HG LEU A 30 5.402 3.670 9.426 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.000 3.225 7.034 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.331 3.828 7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.629 4.920 6.636 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.722 3.896 8.723 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.439 5.603 8.308 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.304 5.065 9.999 1.00 0.00 H new ATOM 503 N GLY A 31 2.459 6.974 10.918 1.00 0.00 N ATOM 504 CA GLY A 31 1.431 7.983 11.107 1.00 0.00 C ATOM 505 C GLY A 31 0.912 8.556 9.789 1.00 0.00 C ATOM 506 O GLY A 31 0.224 9.575 9.794 1.00 0.00 O ATOM 0 H GLY A 31 2.092 6.022 10.916 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.599 7.548 11.661 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.831 8.793 11.717 1.00 0.00 H new ATOM 510 N LEU A 32 1.233 7.906 8.663 1.00 0.00 N ATOM 511 CA LEU A 32 0.779 8.307 7.340 1.00 0.00 C ATOM 512 C LEU A 32 -0.675 7.902 7.100 1.00 0.00 C ATOM 513 O LEU A 32 -1.304 7.265 7.947 1.00 0.00 O ATOM 514 CB LEU A 32 1.738 7.774 6.268 1.00 0.00 C ATOM 515 CG LEU A 32 1.442 6.377 5.693 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.626 5.978 4.826 1.00 0.00 C ATOM 517 CD2 LEU A 32 1.237 5.285 6.739 1.00 0.00 C ATOM 0 H LEU A 32 1.825 7.075 8.653 1.00 0.00 H new ATOM 0 HA LEU A 32 0.796 9.395 7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.749 8.484 5.441 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.743 7.760 6.690 1.00 0.00 H new ATOM 0 HG LEU A 32 0.503 6.456 5.144 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.449 4.990 4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.748 6.703 4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.531 5.955 5.434 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.034 4.337 6.240 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.137 5.190 7.347 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.393 5.547 7.378 1.00 0.00 H new ATOM 529 N THR A 33 -1.209 8.294 5.942 1.00 0.00 N ATOM 530 CA THR A 33 -2.617 8.144 5.619 1.00 0.00 C ATOM 531 C THR A 33 -2.748 7.177 4.438 1.00 0.00 C ATOM 532 O THR A 33 -1.802 6.442 4.156 1.00 0.00 O ATOM 533 CB THR A 33 -3.176 9.545 5.344 1.00 0.00 C ATOM 534 OG1 THR A 33 -2.529 10.126 4.232 1.00 0.00 O ATOM 535 CG2 THR A 33 -2.987 10.458 6.566 1.00 0.00 C ATOM 0 H THR A 33 -0.664 8.729 5.198 1.00 0.00 H new ATOM 0 HA THR A 33 -3.198 7.712 6.434 1.00 0.00 H new ATOM 0 HB THR A 33 -4.241 9.442 5.134 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.835 9.689 3.410 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.391 11.447 6.348 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.511 10.033 7.422 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.925 10.543 6.796 1.00 0.00 H new ATOM 543 N GLY A 34 -3.883 7.183 3.726 1.00 0.00 N ATOM 544 CA GLY A 34 -4.017 6.475 2.458 1.00 0.00 C ATOM 545 C GLY A 34 -5.064 5.375 2.507 1.00 0.00 C ATOM 546 O GLY A 34 -5.990 5.426 3.315 1.00 0.00 O ATOM 0 H GLY A 34 -4.727 7.678 4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.280 7.187 1.676 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.054 6.043 2.185 1.00 0.00 H new ATOM 550 N TYR A 35 -4.905 4.382 1.627 1.00 0.00 N ATOM 551 CA TYR A 35 -5.755 3.195 1.628 1.00 0.00 C ATOM 552 C TYR A 35 -5.231 2.081 0.720 1.00 0.00 C ATOM 553 O TYR A 35 -4.471 2.345 -0.210 1.00 0.00 O ATOM 554 CB TYR A 35 -7.189 3.543 1.213 1.00 0.00 C ATOM 555 CG TYR A 35 -7.342 3.928 -0.248 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.196 5.271 -0.641 1.00 0.00 C ATOM 557 CD2 TYR A 35 -7.524 2.934 -1.227 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.276 5.621 -2.000 1.00 0.00 C ATOM 559 CE2 TYR A 35 -7.553 3.278 -2.589 1.00 0.00 C ATOM 560 CZ TYR A 35 -7.458 4.625 -2.975 1.00 0.00 C ATOM 561 OH TYR A 35 -7.543 4.968 -4.292 1.00 0.00 O ATOM 0 H TYR A 35 -4.189 4.381 0.901 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.742 2.825 2.653 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.832 2.688 1.420 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.544 4.367 1.833 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.022 6.034 0.103 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.642 1.902 -0.930 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.198 6.657 -2.296 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.648 2.507 -3.339 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.667 4.160 -4.833 1.00 0.00 H new ATOM 571 N ALA A 36 -5.690 0.849 0.988 1.00 0.00 N ATOM 572 CA ALA A 36 -5.305 -0.356 0.258 1.00 0.00 C ATOM 573 C ALA A 36 -6.532 -1.090 -0.304 1.00 0.00 C ATOM 574 O ALA A 36 -7.100 -1.941 0.377 1.00 0.00 O ATOM 575 CB ALA A 36 -4.495 -1.254 1.197 1.00 0.00 C ATOM 0 H ALA A 36 -6.356 0.665 1.738 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.692 -0.081 -0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.199 -2.160 0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.605 -0.721 1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.104 -1.521 2.061 1.00 0.00 H new ATOM 581 N LYS A 37 -6.944 -0.787 -1.541 1.00 0.00 N ATOM 582 CA LYS A 37 -8.080 -1.443 -2.195 1.00 0.00 C ATOM 583 C LYS A 37 -7.599 -2.629 -3.034 1.00 0.00 C ATOM 584 O LYS A 37 -6.397 -2.856 -3.142 1.00 0.00 O ATOM 585 CB LYS A 37 -8.867 -0.431 -3.042 1.00 0.00 C ATOM 586 CG LYS A 37 -9.964 0.230 -2.195 1.00 0.00 C ATOM 587 CD LYS A 37 -10.677 1.338 -2.981 1.00 0.00 C ATOM 588 CE LYS A 37 -11.535 2.218 -2.063 1.00 0.00 C ATOM 589 NZ LYS A 37 -12.725 1.513 -1.556 1.00 0.00 N ATOM 0 H LYS A 37 -6.495 -0.076 -2.118 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.755 -1.830 -1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.192 0.330 -3.433 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.313 -0.933 -3.900 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.688 -0.522 -1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.526 0.647 -1.288 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.938 1.956 -3.492 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.307 0.892 -3.751 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.931 2.556 -1.221 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.849 3.108 -2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.270 2.150 -0.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.318 1.212 -2.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.428 0.678 -1.012 1.00 0.00 H new ATOM 603 N ASN A 38 -8.548 -3.390 -3.606 1.00 0.00 N ATOM 604 CA ASN A 38 -8.272 -4.530 -4.475 1.00 0.00 C ATOM 605 C ASN A 38 -8.948 -4.344 -5.836 1.00 0.00 C ATOM 606 O ASN A 38 -10.124 -3.985 -5.902 1.00 0.00 O ATOM 607 CB ASN A 38 -8.708 -5.846 -3.820 1.00 0.00 C ATOM 608 CG ASN A 38 -7.986 -6.201 -2.527 1.00 0.00 C ATOM 609 OD1 ASN A 38 -7.248 -5.415 -1.942 1.00 0.00 O ATOM 610 ND2 ASN A 38 -8.222 -7.423 -2.056 1.00 0.00 N ATOM 0 H ASN A 38 -9.545 -3.221 -3.470 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.195 -4.582 -4.632 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.778 -5.794 -3.617 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.558 -6.655 -4.534 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.784 -7.728 -1.186 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.841 -8.055 -2.564 1.00 0.00 H new ATOM 617 N LEU A 39 -8.196 -4.608 -6.913 1.00 0.00 N ATOM 618 CA LEU A 39 -8.648 -4.570 -8.297 1.00 0.00 C ATOM 619 C LEU A 39 -9.512 -5.788 -8.604 1.00 0.00 C ATOM 620 O LEU A 39 -9.571 -6.746 -7.834 1.00 0.00 O ATOM 621 CB LEU A 39 -7.450 -4.539 -9.270 1.00 0.00 C ATOM 622 CG LEU A 39 -6.768 -3.173 -9.443 1.00 0.00 C ATOM 623 CD1 LEU A 39 -5.557 -3.279 -10.381 1.00 0.00 C ATOM 624 CD2 LEU A 39 -7.720 -2.124 -10.031 1.00 0.00 C ATOM 0 H LEU A 39 -7.212 -4.865 -6.832 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.235 -3.661 -8.431 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.705 -5.255 -8.923 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.790 -4.881 -10.247 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.456 -2.863 -8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.092 -2.299 -10.487 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.834 -3.980 -9.964 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.884 -3.633 -11.359 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.195 -1.174 -10.136 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.068 -2.456 -11.009 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.574 -1.995 -9.367 1.00 0.00 H new ATOM 636 N ASP A 40 -10.160 -5.745 -9.769 1.00 0.00 N ATOM 637 CA ASP A 40 -11.033 -6.797 -10.262 1.00 0.00 C ATOM 638 C ASP A 40 -10.272 -7.835 -11.097 1.00 0.00 C ATOM 639 O ASP A 40 -10.898 -8.743 -11.643 1.00 0.00 O ATOM 640 CB ASP A 40 -12.171 -6.151 -11.065 1.00 0.00 C ATOM 641 CG ASP A 40 -12.940 -5.117 -10.244 1.00 0.00 C ATOM 642 OD1 ASP A 40 -13.300 -5.449 -9.093 1.00 0.00 O ATOM 643 OD2 ASP A 40 -13.150 -4.007 -10.780 1.00 0.00 O ATOM 0 H ASP A 40 -10.086 -4.954 -10.409 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.447 -7.342 -9.414 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.760 -5.674 -11.955 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.858 -6.925 -11.407 1.00 0.00 H new ATOM 648 N ASP A 41 -8.939 -7.713 -11.192 1.00 0.00 N ATOM 649 CA ASP A 41 -8.085 -8.581 -11.998 1.00 0.00 C ATOM 650 C ASP A 41 -7.245 -9.532 -11.131 1.00 0.00 C ATOM 651 O ASP A 41 -6.589 -10.422 -11.666 1.00 0.00 O ATOM 652 CB ASP A 41 -7.201 -7.705 -12.900 1.00 0.00 C ATOM 653 CG ASP A 41 -6.843 -8.400 -14.214 1.00 0.00 C ATOM 654 OD1 ASP A 41 -5.892 -9.209 -14.200 1.00 0.00 O ATOM 655 OD2 ASP A 41 -7.525 -8.098 -15.217 1.00 0.00 O ATOM 0 H ASP A 41 -8.419 -6.989 -10.697 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.714 -9.220 -12.618 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.719 -6.771 -13.115 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.286 -7.447 -12.367 1.00 0.00 H new ATOM 660 N GLY A 42 -7.268 -9.356 -9.800 1.00 0.00 N ATOM 661 CA GLY A 42 -6.548 -10.172 -8.837 1.00 0.00 C ATOM 662 C GLY A 42 -5.437 -9.423 -8.094 1.00 0.00 C ATOM 663 O GLY A 42 -4.601 -10.054 -7.451 1.00 0.00 O ATOM 0 H GLY A 42 -7.811 -8.613 -9.360 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.256 -10.566 -8.109 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.113 -11.027 -9.354 1.00 0.00 H new ATOM 667 N SER A 43 -5.418 -8.093 -8.202 1.00 0.00 N ATOM 668 CA SER A 43 -4.338 -7.216 -7.748 1.00 0.00 C ATOM 669 C SER A 43 -4.792 -6.283 -6.614 1.00 0.00 C ATOM 670 O SER A 43 -5.983 -6.221 -6.319 1.00 0.00 O ATOM 671 CB SER A 43 -3.805 -6.433 -8.960 1.00 0.00 C ATOM 672 OG SER A 43 -4.719 -6.418 -10.041 1.00 0.00 O ATOM 0 H SER A 43 -6.188 -7.576 -8.626 1.00 0.00 H new ATOM 0 HA SER A 43 -3.535 -7.820 -7.327 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.587 -5.408 -8.659 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.865 -6.876 -9.289 1.00 0.00 H new ATOM 0 HG SER A 43 -4.280 -6.050 -10.836 1.00 0.00 H new ATOM 678 N VAL A 44 -3.837 -5.607 -5.947 1.00 0.00 N ATOM 679 CA VAL A 44 -4.080 -4.780 -4.759 1.00 0.00 C ATOM 680 C VAL A 44 -3.460 -3.380 -4.928 1.00 0.00 C ATOM 681 O VAL A 44 -2.243 -3.286 -5.056 1.00 0.00 O ATOM 682 CB VAL A 44 -3.529 -5.524 -3.522 1.00 0.00 C ATOM 683 CG1 VAL A 44 -3.662 -4.698 -2.232 1.00 0.00 C ATOM 684 CG2 VAL A 44 -4.300 -6.838 -3.319 1.00 0.00 C ATOM 0 H VAL A 44 -2.857 -5.624 -6.228 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.150 -4.622 -4.622 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.472 -5.707 -3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.260 -5.266 -1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.107 -3.766 -2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.713 -4.475 -2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.908 -7.359 -2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.357 -6.620 -3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.183 -7.469 -4.200 1.00 0.00 H new ATOM 694 N GLU A 45 -4.259 -2.298 -4.916 1.00 0.00 N ATOM 695 CA GLU A 45 -3.766 -0.922 -5.064 1.00 0.00 C ATOM 696 C GLU A 45 -3.544 -0.266 -3.706 1.00 0.00 C ATOM 697 O GLU A 45 -4.501 -0.130 -2.947 1.00 0.00 O ATOM 698 CB GLU A 45 -4.748 -0.019 -5.829 1.00 0.00 C ATOM 699 CG GLU A 45 -5.446 -0.686 -7.010 1.00 0.00 C ATOM 700 CD GLU A 45 -6.847 -1.126 -6.603 1.00 0.00 C ATOM 701 OE1 GLU A 45 -6.924 -2.158 -5.908 1.00 0.00 O ATOM 702 OE2 GLU A 45 -7.806 -0.416 -6.973 1.00 0.00 O ATOM 0 H GLU A 45 -5.271 -2.357 -4.802 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.833 -1.013 -5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.506 0.340 -5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.208 0.856 -6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.503 0.007 -7.849 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.868 -1.547 -7.346 1.00 0.00 H new ATOM 709 N VAL A 46 -2.315 0.187 -3.420 1.00 0.00 N ATOM 710 CA VAL A 46 -1.985 0.806 -2.141 1.00 0.00 C ATOM 711 C VAL A 46 -1.513 2.247 -2.348 1.00 0.00 C ATOM 712 O VAL A 46 -0.691 2.494 -3.225 1.00 0.00 O ATOM 713 CB VAL A 46 -0.921 -0.042 -1.432 1.00 0.00 C ATOM 714 CG1 VAL A 46 -0.666 0.502 -0.022 1.00 0.00 C ATOM 715 CG2 VAL A 46 -1.395 -1.497 -1.307 1.00 0.00 C ATOM 0 H VAL A 46 -1.530 0.132 -4.069 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.874 0.847 -1.511 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.006 0.002 -2.022 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.091 -0.108 0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.316 1.532 -0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.591 0.469 0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.630 -2.087 -0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.319 -1.530 -0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.573 -1.908 -2.301 1.00 0.00 H new ATOM 725 N VAL A 47 -2.023 3.187 -1.541 1.00 0.00 N ATOM 726 CA VAL A 47 -1.717 4.616 -1.638 1.00 0.00 C ATOM 727 C VAL A 47 -1.282 5.146 -0.266 1.00 0.00 C ATOM 728 O VAL A 47 -1.832 4.699 0.738 1.00 0.00 O ATOM 729 CB VAL A 47 -2.960 5.393 -2.106 1.00 0.00 C ATOM 730 CG1 VAL A 47 -2.563 6.745 -2.703 1.00 0.00 C ATOM 731 CG2 VAL A 47 -3.813 4.631 -3.132 1.00 0.00 C ATOM 0 H VAL A 47 -2.674 2.968 -0.787 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.912 4.754 -2.359 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.568 5.532 -1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.458 7.277 -3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.042 7.336 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.906 6.586 -3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.671 5.240 -3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.213 4.416 -4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.161 3.696 -2.693 1.00 0.00 H new ATOM 741 N ALA A 48 -0.303 6.067 -0.219 1.00 0.00 N ATOM 742 CA ALA A 48 0.298 6.497 1.051 1.00 0.00 C ATOM 743 C ALA A 48 0.982 7.861 0.917 1.00 0.00 C ATOM 744 O ALA A 48 1.753 8.043 -0.021 1.00 0.00 O ATOM 745 CB ALA A 48 1.360 5.459 1.418 1.00 0.00 C ATOM 0 H ALA A 48 0.086 6.525 -1.043 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.481 6.583 1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.834 5.740 2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.891 4.481 1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.113 5.415 0.631 1.00 0.00 H new ATOM 751 N CYS A 49 0.741 8.786 1.860 1.00 0.00 N ATOM 752 CA CYS A 49 1.288 10.147 1.857 1.00 0.00 C ATOM 753 C CYS A 49 2.495 10.303 2.786 1.00 0.00 C ATOM 754 O CYS A 49 2.878 9.369 3.483 1.00 0.00 O ATOM 755 CB CYS A 49 0.163 11.118 2.231 1.00 0.00 C ATOM 756 SG CYS A 49 -1.117 11.294 0.961 1.00 0.00 S ATOM 0 H CYS A 49 0.144 8.600 2.666 1.00 0.00 H new ATOM 0 HA CYS A 49 1.661 10.372 0.858 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.303 10.778 3.156 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.596 12.098 2.433 1.00 0.00 H new ATOM 761 N GLY A 50 3.092 11.501 2.778 1.00 0.00 N ATOM 762 CA GLY A 50 4.262 11.853 3.572 1.00 0.00 C ATOM 763 C GLY A 50 5.526 11.765 2.721 1.00 0.00 C ATOM 764 O GLY A 50 5.447 11.829 1.497 1.00 0.00 O ATOM 0 H GLY A 50 2.759 12.272 2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.151 12.863 3.967 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.344 11.183 4.428 1.00 0.00 H new ATOM 768 N GLU A 51 6.690 11.631 3.370 1.00 0.00 N ATOM 769 CA GLU A 51 7.972 11.493 2.690 1.00 0.00 C ATOM 770 C GLU A 51 8.093 10.104 2.073 1.00 0.00 C ATOM 771 O GLU A 51 7.814 9.113 2.741 1.00 0.00 O ATOM 772 CB GLU A 51 9.124 11.709 3.676 1.00 0.00 C ATOM 773 CG GLU A 51 9.275 13.186 4.050 1.00 0.00 C ATOM 774 CD GLU A 51 10.477 13.430 4.962 1.00 0.00 C ATOM 775 OE1 GLU A 51 10.983 12.440 5.536 1.00 0.00 O ATOM 776 OE2 GLU A 51 10.870 14.611 5.066 1.00 0.00 O ATOM 0 H GLU A 51 6.763 11.616 4.387 1.00 0.00 H new ATOM 0 HA GLU A 51 8.025 12.246 1.904 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.948 11.121 4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.053 11.347 3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.383 13.780 3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.368 13.528 4.548 1.00 0.00 H new ATOM 783 N GLU A 52 8.545 10.041 0.815 1.00 0.00 N ATOM 784 CA GLU A 52 8.722 8.804 0.063 1.00 0.00 C ATOM 785 C GLU A 52 9.493 7.766 0.880 1.00 0.00 C ATOM 786 O GLU A 52 9.056 6.626 1.012 1.00 0.00 O ATOM 787 CB GLU A 52 9.445 9.098 -1.262 1.00 0.00 C ATOM 788 CG GLU A 52 8.736 8.397 -2.427 1.00 0.00 C ATOM 789 CD GLU A 52 9.459 8.573 -3.762 1.00 0.00 C ATOM 790 OE1 GLU A 52 10.439 9.349 -3.797 1.00 0.00 O ATOM 791 OE2 GLU A 52 9.012 7.921 -4.730 1.00 0.00 O ATOM 0 H GLU A 52 8.803 10.872 0.283 1.00 0.00 H new ATOM 0 HA GLU A 52 7.738 8.388 -0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.471 10.173 -1.438 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.479 8.760 -1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.650 7.333 -2.205 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.722 8.787 -2.515 1.00 0.00 H new ATOM 798 N GLY A 53 10.627 8.189 1.450 1.00 0.00 N ATOM 799 CA GLY A 53 11.458 7.401 2.333 1.00 0.00 C ATOM 800 C GLY A 53 10.650 6.746 3.454 1.00 0.00 C ATOM 801 O GLY A 53 10.720 5.531 3.632 1.00 0.00 O ATOM 0 H GLY A 53 10.995 9.128 1.295 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.968 6.629 1.757 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.229 8.037 2.767 1.00 0.00 H new ATOM 805 N GLN A 54 9.875 7.551 4.194 1.00 0.00 N ATOM 806 CA GLN A 54 9.037 7.076 5.292 1.00 0.00 C ATOM 807 C GLN A 54 7.974 6.098 4.801 1.00 0.00 C ATOM 808 O GLN A 54 7.735 5.075 5.438 1.00 0.00 O ATOM 809 CB GLN A 54 8.340 8.235 6.013 1.00 0.00 C ATOM 810 CG GLN A 54 9.123 8.717 7.241 1.00 0.00 C ATOM 811 CD GLN A 54 8.199 9.429 8.226 1.00 0.00 C ATOM 812 OE1 GLN A 54 8.217 10.652 8.333 1.00 0.00 O ATOM 813 NE2 GLN A 54 7.383 8.655 8.947 1.00 0.00 N ATOM 0 H GLN A 54 9.815 8.558 4.042 1.00 0.00 H new ATOM 0 HA GLN A 54 9.704 6.568 5.988 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.211 9.066 5.319 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.343 7.920 6.322 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.599 7.868 7.731 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.919 9.393 6.928 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.401 7.642 8.826 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.742 9.077 9.619 1.00 0.00 H new ATOM 822 N VAL A 55 7.332 6.420 3.678 1.00 0.00 N ATOM 823 CA VAL A 55 6.359 5.540 3.052 1.00 0.00 C ATOM 824 C VAL A 55 6.998 4.190 2.718 1.00 0.00 C ATOM 825 O VAL A 55 6.365 3.152 2.910 1.00 0.00 O ATOM 826 CB VAL A 55 5.752 6.190 1.798 1.00 0.00 C ATOM 827 CG1 VAL A 55 4.754 5.220 1.164 1.00 0.00 C ATOM 828 CG2 VAL A 55 5.020 7.504 2.086 1.00 0.00 C ATOM 0 H VAL A 55 7.475 7.299 3.181 1.00 0.00 H new ATOM 0 HA VAL A 55 5.548 5.369 3.759 1.00 0.00 H new ATOM 0 HB VAL A 55 6.584 6.415 1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.320 5.675 0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.267 4.299 0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.963 4.993 1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.617 7.907 1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.205 7.320 2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.717 8.221 2.521 1.00 0.00 H new ATOM 838 N GLU A 56 8.251 4.190 2.239 1.00 0.00 N ATOM 839 CA GLU A 56 8.913 2.963 1.830 1.00 0.00 C ATOM 840 C GLU A 56 9.111 1.991 2.997 1.00 0.00 C ATOM 841 O GLU A 56 9.169 0.783 2.775 1.00 0.00 O ATOM 842 CB GLU A 56 10.238 3.233 1.102 1.00 0.00 C ATOM 843 CG GLU A 56 10.398 2.230 -0.053 1.00 0.00 C ATOM 844 CD GLU A 56 11.850 1.835 -0.292 1.00 0.00 C ATOM 845 OE1 GLU A 56 12.353 1.022 0.517 1.00 0.00 O ATOM 846 OE2 GLU A 56 12.422 2.330 -1.286 1.00 0.00 O ATOM 0 H GLU A 56 8.818 5.031 2.129 1.00 0.00 H new ATOM 0 HA GLU A 56 8.243 2.481 1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.254 4.253 0.718 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.073 3.141 1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.814 1.336 0.164 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.989 2.664 -0.965 1.00 0.00 H new ATOM 853 N LYS A 57 9.194 2.503 4.233 1.00 0.00 N ATOM 854 CA LYS A 57 9.395 1.695 5.429 1.00 0.00 C ATOM 855 C LYS A 57 8.316 0.612 5.545 1.00 0.00 C ATOM 856 O LYS A 57 8.647 -0.537 5.825 1.00 0.00 O ATOM 857 CB LYS A 57 9.411 2.569 6.692 1.00 0.00 C ATOM 858 CG LYS A 57 10.353 3.780 6.636 1.00 0.00 C ATOM 859 CD LYS A 57 11.849 3.466 6.542 1.00 0.00 C ATOM 860 CE LYS A 57 12.355 2.720 7.781 1.00 0.00 C ATOM 861 NZ LYS A 57 13.739 3.104 8.111 1.00 0.00 N ATOM 0 H LYS A 57 9.122 3.502 4.425 1.00 0.00 H new ATOM 0 HA LYS A 57 10.366 1.208 5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.398 2.925 6.881 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.694 1.947 7.541 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.076 4.391 5.777 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.185 4.387 7.526 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.038 2.864 5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.408 4.394 6.424 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.704 2.935 8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.306 1.645 7.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.052 2.582 8.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.363 2.876 7.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.780 4.126 8.301 1.00 0.00 H new ATOM 875 N LEU A 58 7.039 0.961 5.313 1.00 0.00 N ATOM 876 CA LEU A 58 5.959 -0.021 5.312 1.00 0.00 C ATOM 877 C LEU A 58 5.923 -0.819 4.006 1.00 0.00 C ATOM 878 O LEU A 58 5.513 -1.975 4.012 1.00 0.00 O ATOM 879 CB LEU A 58 4.604 0.624 5.652 1.00 0.00 C ATOM 880 CG LEU A 58 3.801 1.198 4.469 1.00 0.00 C ATOM 881 CD1 LEU A 58 2.754 0.190 3.971 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.072 2.472 4.893 1.00 0.00 C ATOM 0 H LEU A 58 6.737 1.917 5.125 1.00 0.00 H new ATOM 0 HA LEU A 58 6.166 -0.739 6.106 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.987 -0.122 6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.778 1.427 6.368 1.00 0.00 H new ATOM 0 HG LEU A 58 4.509 1.414 3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.202 0.621 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.254 -0.722 3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.062 -0.046 4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.509 2.867 4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.388 2.245 5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.799 3.214 5.223 1.00 0.00 H new ATOM 894 N MET A 59 6.340 -0.216 2.884 1.00 0.00 N ATOM 895 CA MET A 59 6.295 -0.873 1.582 1.00 0.00 C ATOM 896 C MET A 59 7.286 -2.029 1.488 1.00 0.00 C ATOM 897 O MET A 59 7.069 -2.939 0.689 1.00 0.00 O ATOM 898 CB MET A 59 6.494 0.119 0.438 1.00 0.00 C ATOM 899 CG MET A 59 5.427 1.222 0.441 1.00 0.00 C ATOM 900 SD MET A 59 4.190 1.079 -0.875 1.00 0.00 S ATOM 901 CE MET A 59 2.855 2.055 -0.135 1.00 0.00 C ATOM 0 H MET A 59 6.714 0.733 2.859 1.00 0.00 H new ATOM 0 HA MET A 59 5.295 -1.295 1.481 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.483 0.571 0.518 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.463 -0.413 -0.513 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.916 1.213 1.404 1.00 0.00 H new ATOM 0 HG3 MET A 59 5.923 2.189 0.352 1.00 0.00 H new ATOM 0 HE1 MET A 59 2.002 2.077 -0.813 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.556 1.604 0.811 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.203 3.072 0.042 1.00 0.00 H new ATOM 911 N GLN A 60 8.336 -2.023 2.316 1.00 0.00 N ATOM 912 CA GLN A 60 9.202 -3.176 2.517 1.00 0.00 C ATOM 913 C GLN A 60 8.340 -4.434 2.644 1.00 0.00 C ATOM 914 O GLN A 60 8.568 -5.399 1.909 1.00 0.00 O ATOM 915 CB GLN A 60 10.081 -2.923 3.751 1.00 0.00 C ATOM 916 CG GLN A 60 11.125 -1.822 3.472 1.00 0.00 C ATOM 917 CD GLN A 60 12.486 -2.373 3.047 1.00 0.00 C ATOM 918 OE1 GLN A 60 13.031 -3.259 3.702 1.00 0.00 O ATOM 919 NE2 GLN A 60 13.057 -1.843 1.963 1.00 0.00 N ATOM 0 H GLN A 60 8.606 -1.208 2.867 1.00 0.00 H new ATOM 0 HA GLN A 60 9.867 -3.329 1.667 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.455 -2.630 4.594 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.587 -3.845 4.036 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.748 -1.163 2.690 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.251 -1.214 4.368 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.578 -1.109 1.442 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.972 -2.172 1.656 1.00 0.00 H new ATOM 928 N TRP A 61 7.329 -4.424 3.515 1.00 0.00 N ATOM 929 CA TRP A 61 6.476 -5.579 3.735 1.00 0.00 C ATOM 930 C TRP A 61 5.667 -5.949 2.473 1.00 0.00 C ATOM 931 O TRP A 61 5.505 -7.132 2.178 1.00 0.00 O ATOM 932 CB TRP A 61 5.582 -5.314 4.930 1.00 0.00 C ATOM 933 CG TRP A 61 4.346 -6.140 5.011 1.00 0.00 C ATOM 934 CD1 TRP A 61 4.242 -7.435 5.383 1.00 0.00 C ATOM 935 CD2 TRP A 61 3.010 -5.720 4.644 1.00 0.00 C ATOM 936 NE1 TRP A 61 2.932 -7.851 5.253 1.00 0.00 N ATOM 937 CE2 TRP A 61 2.130 -6.824 4.796 1.00 0.00 C ATOM 938 CE3 TRP A 61 2.470 -4.506 4.180 1.00 0.00 C ATOM 939 CZ2 TRP A 61 0.766 -6.728 4.505 1.00 0.00 C ATOM 940 CZ3 TRP A 61 1.089 -4.383 3.929 1.00 0.00 C ATOM 941 CH2 TRP A 61 0.238 -5.493 4.091 1.00 0.00 C ATOM 0 H TRP A 61 7.084 -3.613 4.084 1.00 0.00 H new ATOM 0 HA TRP A 61 7.101 -6.446 3.949 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.164 -5.475 5.838 1.00 0.00 H new ATOM 0 HB3 TRP A 61 5.294 -4.263 4.918 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.059 -8.051 5.729 1.00 0.00 H new ATOM 0 HE1 TRP A 61 2.601 -8.792 5.466 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.121 -3.660 4.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 0.126 -7.593 4.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 0.682 -3.434 3.611 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -0.820 -5.395 3.897 1.00 0.00 H new ATOM 952 N LEU A 62 5.139 -4.944 1.747 1.00 0.00 N ATOM 953 CA LEU A 62 4.362 -5.148 0.526 1.00 0.00 C ATOM 954 C LEU A 62 5.154 -5.953 -0.499 1.00 0.00 C ATOM 955 O LEU A 62 4.682 -6.994 -0.956 1.00 0.00 O ATOM 956 CB LEU A 62 3.882 -3.805 -0.065 1.00 0.00 C ATOM 957 CG LEU A 62 2.568 -3.370 0.598 1.00 0.00 C ATOM 958 CD1 LEU A 62 2.417 -1.852 0.697 1.00 0.00 C ATOM 959 CD2 LEU A 62 1.375 -3.923 -0.187 1.00 0.00 C ATOM 0 H LEU A 62 5.245 -3.962 2.001 1.00 0.00 H new ATOM 0 HA LEU A 62 3.475 -5.725 0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.644 -3.040 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.739 -3.904 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 62 2.593 -3.771 1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.467 -1.611 1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.235 -1.443 1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.440 -1.418 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.447 -3.609 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.404 -3.543 -1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.424 -5.012 -0.204 1.00 0.00 H new ATOM 1101 N VAL A 72 3.696 -12.127 -5.255 1.00 0.00 N ATOM 1102 CA VAL A 72 3.909 -10.759 -5.698 1.00 0.00 C ATOM 1103 C VAL A 72 4.734 -10.801 -6.985 1.00 0.00 C ATOM 1104 O VAL A 72 5.962 -10.869 -6.938 1.00 0.00 O ATOM 1105 CB VAL A 72 4.611 -9.953 -4.585 1.00 0.00 C ATOM 1106 CG1 VAL A 72 4.871 -8.504 -5.028 1.00 0.00 C ATOM 1107 CG2 VAL A 72 3.773 -9.920 -3.299 1.00 0.00 C ATOM 0 HA VAL A 72 2.962 -10.260 -5.904 1.00 0.00 H new ATOM 0 HB VAL A 72 5.558 -10.456 -4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.366 -7.961 -4.223 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.508 -8.503 -5.913 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.923 -8.020 -5.263 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.298 -9.344 -2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.809 -9.455 -3.505 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.616 -10.937 -2.941 1.00 0.00 H new ATOM 1117 N GLU A 73 4.049 -10.779 -8.133 1.00 0.00 N ATOM 1118 CA GLU A 73 4.670 -10.799 -9.447 1.00 0.00 C ATOM 1119 C GLU A 73 5.534 -9.554 -9.635 1.00 0.00 C ATOM 1120 O GLU A 73 6.726 -9.672 -9.913 1.00 0.00 O ATOM 1121 CB GLU A 73 3.577 -10.888 -10.521 1.00 0.00 C ATOM 1122 CG GLU A 73 3.027 -12.316 -10.652 1.00 0.00 C ATOM 1123 CD GLU A 73 3.710 -13.074 -11.787 1.00 0.00 C ATOM 1124 OE1 GLU A 73 4.813 -13.606 -11.539 1.00 0.00 O ATOM 1125 OE2 GLU A 73 3.115 -13.100 -12.886 1.00 0.00 O ATOM 0 H GLU A 73 3.030 -10.746 -8.168 1.00 0.00 H new ATOM 0 HA GLU A 73 5.318 -11.670 -9.539 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.764 -10.206 -10.271 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.981 -10.564 -11.480 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.174 -12.852 -9.714 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.953 -12.279 -10.832 1.00 0.00 H new ATOM 1132 N ARG A 74 4.931 -8.368 -9.490 1.00 0.00 N ATOM 1133 CA ARG A 74 5.573 -7.086 -9.750 1.00 0.00 C ATOM 1134 C ARG A 74 4.711 -5.960 -9.177 1.00 0.00 C ATOM 1135 O ARG A 74 3.517 -6.148 -8.963 1.00 0.00 O ATOM 1136 CB ARG A 74 5.753 -6.906 -11.269 1.00 0.00 C ATOM 1137 CG ARG A 74 7.204 -7.126 -11.731 1.00 0.00 C ATOM 1138 CD ARG A 74 7.917 -5.793 -11.969 1.00 0.00 C ATOM 1139 NE ARG A 74 7.302 -5.069 -13.090 1.00 0.00 N ATOM 1140 CZ ARG A 74 7.400 -3.749 -13.314 1.00 0.00 C ATOM 1141 NH1 ARG A 74 8.184 -2.978 -12.549 1.00 0.00 N ATOM 1142 NH2 ARG A 74 6.700 -3.200 -14.315 1.00 0.00 N ATOM 0 H ARG A 74 3.963 -8.277 -9.182 1.00 0.00 H new ATOM 0 HA ARG A 74 6.552 -7.057 -9.272 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.101 -7.605 -11.792 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.436 -5.902 -11.551 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.744 -7.701 -10.979 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.211 -7.714 -12.649 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.870 -5.184 -11.066 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.972 -5.971 -12.179 1.00 0.00 H new ATOM 0 HE ARG A 74 6.754 -5.616 -13.754 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.717 -3.392 -11.784 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.248 -1.976 -12.731 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.100 -3.784 -14.898 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.767 -2.198 -14.494 1.00 0.00 H new ATOM 1156 N VAL A 75 5.326 -4.796 -8.919 1.00 0.00 N ATOM 1157 CA VAL A 75 4.652 -3.629 -8.356 1.00 0.00 C ATOM 1158 C VAL A 75 5.011 -2.378 -9.160 1.00 0.00 C ATOM 1159 O VAL A 75 6.183 -2.186 -9.483 1.00 0.00 O ATOM 1160 CB VAL A 75 5.038 -3.462 -6.877 1.00 0.00 C ATOM 1161 CG1 VAL A 75 4.183 -2.357 -6.239 1.00 0.00 C ATOM 1162 CG2 VAL A 75 4.835 -4.776 -6.110 1.00 0.00 C ATOM 0 H VAL A 75 6.318 -4.643 -9.100 1.00 0.00 H new ATOM 0 HA VAL A 75 3.573 -3.774 -8.414 1.00 0.00 H new ATOM 0 HB VAL A 75 6.091 -3.187 -6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.460 -2.242 -5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.352 -1.417 -6.764 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.129 -2.627 -6.308 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.114 -4.635 -5.066 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.788 -5.073 -6.169 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.458 -5.554 -6.550 1.00 0.00 H new ATOM 1172 N LEU A 76 4.016 -1.532 -9.473 1.00 0.00 N ATOM 1173 CA LEU A 76 4.197 -0.326 -10.279 1.00 0.00 C ATOM 1174 C LEU A 76 3.859 0.931 -9.463 1.00 0.00 C ATOM 1175 O LEU A 76 2.689 1.167 -9.163 1.00 0.00 O ATOM 1176 CB LEU A 76 3.323 -0.440 -11.539 1.00 0.00 C ATOM 1177 CG LEU A 76 3.882 0.397 -12.700 1.00 0.00 C ATOM 1178 CD1 LEU A 76 4.980 -0.372 -13.448 1.00 0.00 C ATOM 1179 CD2 LEU A 76 2.760 0.753 -13.680 1.00 0.00 C ATOM 0 H LEU A 76 3.053 -1.673 -9.167 1.00 0.00 H new ATOM 0 HA LEU A 76 5.241 -0.233 -10.580 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.258 -1.485 -11.843 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.310 -0.111 -11.309 1.00 0.00 H new ATOM 0 HG LEU A 76 4.309 1.309 -12.283 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.361 0.240 -14.265 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.793 -0.606 -12.761 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.567 -1.297 -13.850 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.167 1.346 -14.499 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.321 -0.162 -14.078 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.993 1.328 -13.162 1.00 0.00 H new ATOM 1191 N SER A 77 4.880 1.721 -9.090 1.00 0.00 N ATOM 1192 CA SER A 77 4.744 2.922 -8.263 1.00 0.00 C ATOM 1193 C SER A 77 4.762 4.201 -9.118 1.00 0.00 C ATOM 1194 O SER A 77 5.699 4.402 -9.888 1.00 0.00 O ATOM 1195 CB SER A 77 5.841 2.975 -7.184 1.00 0.00 C ATOM 1196 OG SER A 77 6.649 1.812 -7.169 1.00 0.00 O ATOM 0 H SER A 77 5.844 1.534 -9.364 1.00 0.00 H new ATOM 0 HA SER A 77 3.776 2.868 -7.766 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.471 3.848 -7.355 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.377 3.103 -6.206 1.00 0.00 H new ATOM 0 HG SER A 77 7.330 1.896 -6.469 1.00 0.00 H new ATOM 1202 N GLU A 78 3.747 5.063 -8.951 1.00 0.00 N ATOM 1203 CA GLU A 78 3.514 6.287 -9.728 1.00 0.00 C ATOM 1204 C GLU A 78 3.249 7.484 -8.792 1.00 0.00 C ATOM 1205 O GLU A 78 2.813 7.277 -7.661 1.00 0.00 O ATOM 1206 CB GLU A 78 2.306 6.056 -10.659 1.00 0.00 C ATOM 1207 CG GLU A 78 2.701 5.853 -12.129 1.00 0.00 C ATOM 1208 CD GLU A 78 3.670 4.693 -12.316 1.00 0.00 C ATOM 1209 OE1 GLU A 78 3.289 3.570 -11.922 1.00 0.00 O ATOM 1210 OE2 GLU A 78 4.772 4.952 -12.846 1.00 0.00 O ATOM 0 H GLU A 78 3.034 4.917 -8.237 1.00 0.00 H new ATOM 0 HA GLU A 78 4.400 6.518 -10.320 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.753 5.182 -10.315 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.632 6.909 -10.586 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.804 5.673 -12.722 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.156 6.768 -12.510 1.00 0.00 H new ATOM 1217 N PRO A 79 3.483 8.734 -9.242 1.00 0.00 N ATOM 1218 CA PRO A 79 3.304 9.943 -8.441 1.00 0.00 C ATOM 1219 C PRO A 79 1.822 10.240 -8.197 1.00 0.00 C ATOM 1220 O PRO A 79 1.075 10.453 -9.151 1.00 0.00 O ATOM 1221 CB PRO A 79 3.968 11.070 -9.240 1.00 0.00 C ATOM 1222 CG PRO A 79 3.847 10.600 -10.687 1.00 0.00 C ATOM 1223 CD PRO A 79 3.986 9.083 -10.564 1.00 0.00 C ATOM 0 HA PRO A 79 3.751 9.832 -7.453 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.463 12.024 -9.084 1.00 0.00 H new ATOM 0 HB3 PRO A 79 5.009 11.209 -8.949 1.00 0.00 H new ATOM 0 HG2 PRO A 79 2.890 10.884 -11.126 1.00 0.00 H new ATOM 0 HG3 PRO A 79 4.626 11.028 -11.318 1.00 0.00 H new ATOM 0 HD2 PRO A 79 3.417 8.576 -11.343 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.026 8.777 -10.678 1.00 0.00 H new ATOM 1231 N HIS A 80 1.402 10.280 -6.923 1.00 0.00 N ATOM 1232 CA HIS A 80 0.024 10.548 -6.540 1.00 0.00 C ATOM 1233 C HIS A 80 -0.070 11.935 -5.893 1.00 0.00 C ATOM 1234 O HIS A 80 0.399 12.132 -4.778 1.00 0.00 O ATOM 1235 CB HIS A 80 -0.446 9.429 -5.599 1.00 0.00 C ATOM 1236 CG HIS A 80 -1.940 9.322 -5.462 1.00 0.00 C ATOM 1237 ND1 HIS A 80 -2.746 8.844 -6.481 1.00 0.00 N ATOM 1238 CD2 HIS A 80 -2.738 9.580 -4.377 1.00 0.00 C ATOM 1239 CE1 HIS A 80 -3.996 8.820 -5.991 1.00 0.00 C ATOM 1240 NE2 HIS A 80 -4.037 9.268 -4.727 1.00 0.00 N ATOM 0 H HIS A 80 2.022 10.124 -6.129 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.631 10.557 -7.411 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.057 8.478 -5.962 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.013 9.594 -4.612 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.410 9.959 -3.421 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.860 8.483 -6.545 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.866 9.360 -4.139 1.00 0.00 H new ATOM 1249 N HIS A 81 -0.678 12.907 -6.582 1.00 0.00 N ATOM 1250 CA HIS A 81 -0.853 14.266 -6.089 1.00 0.00 C ATOM 1251 C HIS A 81 -2.334 14.533 -5.774 1.00 0.00 C ATOM 1252 O HIS A 81 -2.994 15.236 -6.540 1.00 0.00 O ATOM 1253 CB HIS A 81 -0.273 15.249 -7.123 1.00 0.00 C ATOM 1254 CG HIS A 81 -0.586 14.962 -8.572 1.00 0.00 C ATOM 1255 ND1 HIS A 81 0.101 14.016 -9.317 1.00 0.00 N ATOM 1256 CD2 HIS A 81 -1.486 15.578 -9.401 1.00 0.00 C ATOM 1257 CE1 HIS A 81 -0.423 14.058 -10.553 1.00 0.00 C ATOM 1258 NE2 HIS A 81 -1.382 14.994 -10.648 1.00 0.00 N ATOM 0 H HIS A 81 -1.067 12.763 -7.514 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.311 14.407 -5.154 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -0.638 16.248 -6.886 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.810 15.269 -7.005 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -2.158 16.378 -9.128 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.113 13.420 -11.367 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -1.926 15.227 -11.478 1.00 0.00 H new ATOM 1267 N PRO A 82 -2.883 13.987 -4.672 1.00 0.00 N ATOM 1268 CA PRO A 82 -4.286 14.146 -4.322 1.00 0.00 C ATOM 1269 C PRO A 82 -4.543 15.545 -3.761 1.00 0.00 C ATOM 1270 O PRO A 82 -3.684 16.126 -3.100 1.00 0.00 O ATOM 1271 CB PRO A 82 -4.570 13.068 -3.272 1.00 0.00 C ATOM 1272 CG PRO A 82 -3.226 12.928 -2.561 1.00 0.00 C ATOM 1273 CD PRO A 82 -2.230 13.119 -3.706 1.00 0.00 C ATOM 0 HA PRO A 82 -4.938 14.037 -5.189 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.361 13.370 -2.586 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.885 12.130 -3.730 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.098 13.679 -1.781 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.117 11.953 -2.086 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.303 13.566 -3.345 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.968 12.162 -4.157 1.00 0.00 H new ATOM 1281 N SER A 83 -5.740 16.077 -4.029 1.00 0.00 N ATOM 1282 CA SER A 83 -6.166 17.377 -3.539 1.00 0.00 C ATOM 1283 C SER A 83 -6.463 17.313 -2.038 1.00 0.00 C ATOM 1284 O SER A 83 -7.004 16.322 -1.548 1.00 0.00 O ATOM 1285 CB SER A 83 -7.376 17.865 -4.343 1.00 0.00 C ATOM 1286 OG SER A 83 -8.459 16.962 -4.243 1.00 0.00 O ATOM 0 H SER A 83 -6.443 15.606 -4.599 1.00 0.00 H new ATOM 0 HA SER A 83 -5.360 18.098 -3.677 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.684 18.846 -3.981 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.095 17.985 -5.389 1.00 0.00 H new ATOM 0 HG SER A 83 -9.217 17.301 -4.764 1.00 0.00 H new ATOM 1292 N GLY A 84 -6.087 18.374 -1.314 1.00 0.00 N ATOM 1293 CA GLY A 84 -6.245 18.468 0.129 1.00 0.00 C ATOM 1294 C GLY A 84 -5.273 17.553 0.876 1.00 0.00 C ATOM 1295 O GLY A 84 -4.462 16.854 0.268 1.00 0.00 O ATOM 0 H GLY A 84 -5.658 19.201 -1.728 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.086 19.499 0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.268 18.206 0.399 1.00 0.00 H new ATOM 1299 N GLU A 85 -5.381 17.566 2.209 1.00 0.00 N ATOM 1300 CA GLU A 85 -4.670 16.662 3.098 1.00 0.00 C ATOM 1301 C GLU A 85 -5.645 15.601 3.598 1.00 0.00 C ATOM 1302 O GLU A 85 -6.744 15.917 4.052 1.00 0.00 O ATOM 1303 CB GLU A 85 -4.042 17.437 4.262 1.00 0.00 C ATOM 1304 CG GLU A 85 -2.842 18.253 3.764 1.00 0.00 C ATOM 1305 CD GLU A 85 -2.163 19.007 4.902 1.00 0.00 C ATOM 1306 OE1 GLU A 85 -2.807 19.938 5.432 1.00 0.00 O ATOM 1307 OE2 GLU A 85 -1.007 18.646 5.211 1.00 0.00 O ATOM 0 H GLU A 85 -5.982 18.225 2.704 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.857 16.174 2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.782 18.100 4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.723 16.744 5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.122 17.588 3.287 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.173 18.961 3.004 1.00 0.00 H new ATOM 1314 N LEU A 86 -5.225 14.339 3.499 1.00 0.00 N ATOM 1315 CA LEU A 86 -5.969 13.177 3.960 1.00 0.00 C ATOM 1316 C LEU A 86 -6.015 13.167 5.492 1.00 0.00 C ATOM 1317 O LEU A 86 -5.107 13.676 6.147 1.00 0.00 O ATOM 1318 CB LEU A 86 -5.277 11.914 3.419 1.00 0.00 C ATOM 1319 CG LEU A 86 -6.108 11.073 2.441 1.00 0.00 C ATOM 1320 CD1 LEU A 86 -6.563 11.856 1.203 1.00 0.00 C ATOM 1321 CD2 LEU A 86 -5.244 9.901 1.973 1.00 0.00 C ATOM 0 H LEU A 86 -4.327 14.095 3.081 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.996 13.209 3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.354 12.211 2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.996 11.285 4.264 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.005 10.749 2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.146 11.203 0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.177 12.701 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.690 12.221 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.812 9.286 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.351 10.282 1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.952 9.298 2.833 1.00 0.00 H new ATOM 1333 N THR A 87 -7.073 12.571 6.056 1.00 0.00 N ATOM 1334 CA THR A 87 -7.262 12.433 7.491 1.00 0.00 C ATOM 1335 C THR A 87 -6.416 11.266 7.994 1.00 0.00 C ATOM 1336 O THR A 87 -5.359 11.484 8.584 1.00 0.00 O ATOM 1337 CB THR A 87 -8.761 12.255 7.805 1.00 0.00 C ATOM 1338 OG1 THR A 87 -9.441 11.693 6.696 1.00 0.00 O ATOM 1339 CG2 THR A 87 -9.388 13.605 8.159 1.00 0.00 C ATOM 0 H THR A 87 -7.833 12.166 5.509 1.00 0.00 H new ATOM 0 HA THR A 87 -6.932 13.332 8.011 1.00 0.00 H new ATOM 0 HB THR A 87 -8.854 11.578 8.655 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.390 11.586 6.914 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.447 13.468 8.379 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.887 14.021 9.033 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.278 14.289 7.318 1.00 0.00 H new ATOM 1347 N ASP A 88 -6.893 10.037 7.770 1.00 0.00 N ATOM 1348 CA ASP A 88 -6.292 8.815 8.288 1.00 0.00 C ATOM 1349 C ASP A 88 -6.274 7.729 7.213 1.00 0.00 C ATOM 1350 O ASP A 88 -6.930 7.851 6.178 1.00 0.00 O ATOM 1351 CB ASP A 88 -7.045 8.357 9.548 1.00 0.00 C ATOM 1352 CG ASP A 88 -8.438 7.797 9.261 1.00 0.00 C ATOM 1353 OD1 ASP A 88 -9.173 8.441 8.481 1.00 0.00 O ATOM 1354 OD2 ASP A 88 -8.750 6.737 9.844 1.00 0.00 O ATOM 0 H ASP A 88 -7.728 9.866 7.209 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.257 9.012 8.566 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -6.454 7.595 10.057 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.136 9.200 10.233 1.00 0.00 H new ATOM 1359 N PHE A 89 -5.514 6.661 7.471 1.00 0.00 N ATOM 1360 CA PHE A 89 -5.495 5.482 6.623 1.00 0.00 C ATOM 1361 C PHE A 89 -6.786 4.686 6.822 1.00 0.00 C ATOM 1362 O PHE A 89 -7.287 4.602 7.941 1.00 0.00 O ATOM 1363 CB PHE A 89 -4.251 4.644 6.929 1.00 0.00 C ATOM 1364 CG PHE A 89 -4.179 3.316 6.203 1.00 0.00 C ATOM 1365 CD1 PHE A 89 -4.741 2.167 6.790 1.00 0.00 C ATOM 1366 CD2 PHE A 89 -3.592 3.232 4.927 1.00 0.00 C ATOM 1367 CE1 PHE A 89 -4.770 0.958 6.078 1.00 0.00 C ATOM 1368 CE2 PHE A 89 -3.613 2.018 4.219 1.00 0.00 C ATOM 1369 CZ PHE A 89 -4.238 0.891 4.782 1.00 0.00 C ATOM 0 H PHE A 89 -4.895 6.597 8.279 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.444 5.776 5.575 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.366 5.228 6.675 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.212 4.457 8.002 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.150 2.216 7.788 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.124 4.102 4.491 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.203 0.077 6.529 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.150 1.951 3.245 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.308 -0.026 4.216 1.00 0.00 H new ATOM 1379 N ARG A 90 -7.310 4.095 5.740 1.00 0.00 N ATOM 1380 CA ARG A 90 -8.497 3.247 5.783 1.00 0.00 C ATOM 1381 C ARG A 90 -8.237 1.940 5.044 1.00 0.00 C ATOM 1382 O ARG A 90 -7.199 1.775 4.405 1.00 0.00 O ATOM 1383 CB ARG A 90 -9.720 3.975 5.203 1.00 0.00 C ATOM 1384 CG ARG A 90 -9.556 4.267 3.705 1.00 0.00 C ATOM 1385 CD ARG A 90 -10.839 4.805 3.069 1.00 0.00 C ATOM 1386 NE ARG A 90 -11.209 6.109 3.626 1.00 0.00 N ATOM 1387 CZ ARG A 90 -12.320 6.788 3.297 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -13.183 6.289 2.400 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -12.564 7.973 3.871 1.00 0.00 N ATOM 0 H ARG A 90 -6.915 4.196 4.805 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.717 3.017 6.825 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.612 3.368 5.359 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.874 4.911 5.740 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.754 4.991 3.565 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.255 3.354 3.191 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.702 4.894 1.991 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.651 4.096 3.230 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.580 6.529 4.310 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.998 5.387 1.962 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.024 6.812 2.156 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.908 8.354 4.553 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.406 8.495 3.626 1.00 0.00 H new ATOM 1403 N ILE A 91 -9.208 1.023 5.102 1.00 0.00 N ATOM 1404 CA ILE A 91 -9.132 -0.245 4.404 1.00 0.00 C ATOM 1405 C ILE A 91 -10.521 -0.710 3.976 1.00 0.00 C ATOM 1406 O ILE A 91 -11.523 -0.358 4.596 1.00 0.00 O ATOM 1407 CB ILE A 91 -8.396 -1.273 5.287 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -8.079 -2.594 4.575 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -9.197 -1.606 6.554 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -7.088 -2.413 3.428 1.00 0.00 C ATOM 0 H ILE A 91 -10.067 1.148 5.638 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.556 -0.130 3.486 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.455 -0.784 5.538 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.671 -3.303 5.295 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -9.002 -3.026 4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.647 -2.333 7.151 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.349 -0.698 7.137 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.164 -2.023 6.274 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -6.897 -3.377 2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.505 -1.726 2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.154 -2.007 3.815 1.00 0.00 H new