USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 394 hydrogens (9 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 1 FME CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -173:sc= 0.228 (180deg=0.071) USER MOD Single : A 10 LYS NZ :NH3+ 173:sc= -0.381 (180deg=-0.468) USER MOD Single : A 17 LYS NZ :NH3+ -120:sc= -0.0673 (180deg=-0.392) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= -1.08 USER MOD Single : A 21 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.037) USER MOD Single : A 22 GLN : amide:sc= -0.483 K(o=-0.48,f=-4.1!) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.817 K(o=-0.82,f=-1.4) USER MOD Single : A 34 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.7!) USER MOD Single : A 35 LYS NZ :NH3+ -120:sc= -0.051 (180deg=-1.37) USER MOD Single : A 41 LYS NZ :NH3+ 155:sc= -0.154 (180deg=-0.774) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.468 K(o=-0.47,f=-1.8) USER MOD ----------------------------------------------------------------- HETATM 1 N FME A 1 3.222 -2.324 -0.008 1.00 53.34 N HETATM 2 CN FME A 1 3.622 -1.576 1.087 1.00 14.14 C HETATM 3 O1 FME A 1 4.648 -0.940 1.132 1.00 23.21 O HETATM 4 CA FME A 1 3.983 -2.116 -1.264 1.00 72.42 C HETATM 5 CB FME A 1 3.685 -3.215 -2.311 1.00 3.32 C HETATM 6 CG FME A 1 4.606 -4.447 -2.228 1.00 4.41 C HETATM 7 SD FME A 1 6.203 -4.045 -3.015 1.00 23.50 S HETATM 8 CE FME A 1 6.516 -5.658 -3.787 1.00 20.33 C HETATM 9 C FME A 1 3.887 -0.685 -1.792 1.00 23.55 C HETATM 10 O FME A 1 2.852 -0.027 -1.700 1.00 31.42 O HETATM 0 HG3 FME A 1 4.760 -4.733 -1.188 1.00 4.41 H new HETATM 0 HG2 FME A 1 4.143 -5.298 -2.728 1.00 4.41 H new HETATM 0 HE3 FME A 1 7.462 -5.625 -4.328 1.00 20.33 H new HETATM 0 HE2 FME A 1 6.566 -6.427 -3.016 1.00 20.33 H new HETATM 0 HE1 FME A 1 5.709 -5.892 -4.481 1.00 20.33 H new HETATM 0 HCN FME A 1 2.971 -1.560 1.961 1.00 14.14 H new HETATM 0 HB3 FME A 1 2.652 -3.541 -2.192 1.00 3.32 H new HETATM 0 HB2 FME A 1 3.769 -2.781 -3.307 1.00 3.32 H new HETATM 0 HA FME A 1 5.039 -2.234 -1.023 1.00 72.42 H new HETATM 0 H FME A 1 2.445 -2.983 0.046 1.00 53.34 H new ATOM 20 N GLY A 2 4.990 -0.222 -2.372 1.00 1.31 N ATOM 21 CA GLY A 2 5.025 1.114 -2.938 1.00 10.23 C ATOM 22 C GLY A 2 5.810 2.087 -2.080 1.00 32.20 C ATOM 23 O GLY A 2 5.645 3.301 -2.197 1.00 34.33 O ATOM 0 H GLY A 2 5.860 -0.748 -2.460 1.00 1.31 H new ATOM 0 HA2 GLY A 2 5.468 1.072 -3.933 1.00 10.23 H new ATOM 0 HA3 GLY A 2 4.006 1.481 -3.058 1.00 10.23 H new ATOM 27 N ALA A 3 6.665 1.553 -1.214 1.00 63.14 N ATOM 28 CA ALA A 3 7.479 2.382 -0.334 1.00 14.22 C ATOM 29 C ALA A 3 8.883 2.568 -0.898 1.00 2.34 C ATOM 30 O ALA A 3 9.535 3.582 -0.643 1.00 72.42 O ATOM 31 CB ALA A 3 7.543 1.769 1.057 1.00 0.44 C ATOM 0 H ALA A 3 6.812 0.550 -1.103 1.00 63.14 H new ATOM 0 HA ALA A 3 7.011 3.364 -0.265 1.00 14.22 H new ATOM 0 HB1 ALA A 3 8.154 2.398 1.704 1.00 0.44 H new ATOM 0 HB2 ALA A 3 6.536 1.695 1.469 1.00 0.44 H new ATOM 0 HB3 ALA A 3 7.984 0.774 0.996 1.00 0.44 H new ATOM 37 N ILE A 4 9.344 1.584 -1.663 1.00 14.52 N ATOM 38 CA ILE A 4 10.671 1.641 -2.262 1.00 70.04 C ATOM 39 C ILE A 4 10.698 2.598 -3.449 1.00 73.24 C ATOM 40 O ILE A 4 11.707 3.253 -3.709 1.00 35.01 O ATOM 41 CB ILE A 4 11.138 0.249 -2.728 1.00 51.45 C ATOM 42 CG1 ILE A 4 10.983 -0.770 -1.598 1.00 11.22 C ATOM 43 CG2 ILE A 4 12.582 0.307 -3.203 1.00 23.31 C ATOM 44 CD1 ILE A 4 11.764 -0.414 -0.352 1.00 40.13 C ATOM 0 H ILE A 4 8.818 0.738 -1.882 1.00 14.52 H new ATOM 0 HA ILE A 4 11.350 2.004 -1.491 1.00 70.04 H new ATOM 0 HB ILE A 4 10.514 -0.067 -3.564 1.00 51.45 H new ATOM 0 HG12 ILE A 4 9.927 -0.859 -1.342 1.00 11.22 H new ATOM 0 HG13 ILE A 4 11.308 -1.748 -1.954 1.00 11.22 H new ATOM 0 HG21 ILE A 4 12.898 -0.684 -3.529 1.00 23.31 H new ATOM 0 HG22 ILE A 4 12.663 1.006 -4.035 1.00 23.31 H new ATOM 0 HG23 ILE A 4 13.221 0.641 -2.385 1.00 23.31 H new ATOM 0 HD11 ILE A 4 11.607 -1.180 0.407 1.00 40.13 H new ATOM 0 HD12 ILE A 4 12.825 -0.354 -0.593 1.00 40.13 H new ATOM 0 HD13 ILE A 4 11.423 0.549 0.029 1.00 40.13 H new ATOM 56 N ALA A 5 9.581 2.674 -4.166 1.00 41.11 N ATOM 57 CA ALA A 5 9.475 3.554 -5.324 1.00 31.25 C ATOM 58 C ALA A 5 9.852 4.986 -4.961 1.00 11.22 C ATOM 59 O ALA A 5 10.310 5.752 -5.808 1.00 44.45 O ATOM 60 CB ALA A 5 8.066 3.506 -5.896 1.00 31.44 C ATOM 0 H ALA A 5 8.737 2.137 -3.965 1.00 41.11 H new ATOM 0 HA ALA A 5 10.175 3.203 -6.082 1.00 31.25 H new ATOM 0 HB1 ALA A 5 8.001 4.168 -6.760 1.00 31.44 H new ATOM 0 HB2 ALA A 5 7.832 2.486 -6.202 1.00 31.44 H new ATOM 0 HB3 ALA A 5 7.354 3.830 -5.137 1.00 31.44 H new ATOM 66 N LYS A 6 9.655 5.343 -3.696 1.00 23.51 N ATOM 67 CA LYS A 6 9.975 6.683 -3.220 1.00 11.04 C ATOM 68 C LYS A 6 11.459 6.986 -3.402 1.00 33.21 C ATOM 69 O LYS A 6 11.845 8.132 -3.636 1.00 32.12 O ATOM 70 CB LYS A 6 9.591 6.828 -1.745 1.00 64.42 C ATOM 71 CG LYS A 6 8.152 7.262 -1.531 1.00 11.40 C ATOM 72 CD LYS A 6 7.215 6.069 -1.449 1.00 62.21 C ATOM 73 CE LYS A 6 5.937 6.414 -0.700 1.00 22.52 C ATOM 74 NZ LYS A 6 5.370 5.230 0.003 1.00 73.42 N ATOM 0 H LYS A 6 9.275 4.722 -2.982 1.00 23.51 H new ATOM 0 HA LYS A 6 9.402 7.397 -3.811 1.00 11.04 H new ATOM 0 HB2 LYS A 6 9.753 5.875 -1.241 1.00 64.42 H new ATOM 0 HB3 LYS A 6 10.254 7.554 -1.275 1.00 64.42 H new ATOM 0 HG2 LYS A 6 8.080 7.846 -0.613 1.00 11.40 H new ATOM 0 HG3 LYS A 6 7.842 7.913 -2.348 1.00 11.40 H new ATOM 0 HD2 LYS A 6 6.968 5.729 -2.455 1.00 62.21 H new ATOM 0 HD3 LYS A 6 7.719 5.243 -0.948 1.00 62.21 H new ATOM 0 HE2 LYS A 6 6.142 7.203 0.024 1.00 22.52 H new ATOM 0 HE3 LYS A 6 5.200 6.808 -1.400 1.00 22.52 H new ATOM 0 HZ1 LYS A 6 4.441 5.475 0.402 1.00 73.42 H new ATOM 0 HZ2 LYS A 6 5.261 4.445 -0.671 1.00 73.42 H new ATOM 0 HZ3 LYS A 6 6.011 4.942 0.770 1.00 73.42 H new ATOM 88 N LEU A 7 12.286 5.952 -3.295 1.00 2.11 N ATOM 89 CA LEU A 7 13.728 6.107 -3.450 1.00 5.44 C ATOM 90 C LEU A 7 14.127 6.059 -4.921 1.00 74.23 C ATOM 91 O LEU A 7 15.161 6.599 -5.314 1.00 11.03 O ATOM 92 CB LEU A 7 14.465 5.014 -2.674 1.00 1.12 C ATOM 93 CG LEU A 7 14.200 4.964 -1.169 1.00 1.53 C ATOM 94 CD1 LEU A 7 14.193 6.367 -0.581 1.00 41.24 C ATOM 95 CD2 LEU A 7 12.883 4.258 -0.882 1.00 63.30 C ATOM 0 H LEU A 7 11.983 4.998 -3.102 1.00 2.11 H new ATOM 0 HA LEU A 7 14.008 7.081 -3.049 1.00 5.44 H new ATOM 0 HB2 LEU A 7 14.196 4.048 -3.102 1.00 1.12 H new ATOM 0 HB3 LEU A 7 15.536 5.145 -2.830 1.00 1.12 H new ATOM 0 HG LEU A 7 15.003 4.398 -0.697 1.00 1.53 H new ATOM 0 HD11 LEU A 7 14.003 6.311 0.491 1.00 41.24 H new ATOM 0 HD12 LEU A 7 15.160 6.839 -0.754 1.00 41.24 H new ATOM 0 HD13 LEU A 7 13.411 6.958 -1.058 1.00 41.24 H new ATOM 0 HD21 LEU A 7 12.711 4.232 0.194 1.00 63.30 H new ATOM 0 HD22 LEU A 7 12.068 4.796 -1.367 1.00 63.30 H new ATOM 0 HD23 LEU A 7 12.925 3.239 -1.268 1.00 63.30 H new ATOM 107 N VAL A 8 13.297 5.409 -5.732 1.00 43.53 N ATOM 108 CA VAL A 8 13.561 5.293 -7.162 1.00 12.14 C ATOM 109 C VAL A 8 13.405 6.639 -7.860 1.00 41.14 C ATOM 110 O VAL A 8 14.348 7.149 -8.464 1.00 43.30 O ATOM 111 CB VAL A 8 12.619 4.271 -7.825 1.00 34.25 C ATOM 112 CG1 VAL A 8 12.868 4.209 -9.324 1.00 34.12 C ATOM 113 CG2 VAL A 8 12.791 2.899 -7.190 1.00 75.11 C ATOM 0 H VAL A 8 12.437 4.955 -5.423 1.00 43.53 H new ATOM 0 HA VAL A 8 14.590 4.949 -7.268 1.00 12.14 H new ATOM 0 HB VAL A 8 11.590 4.594 -7.665 1.00 34.25 H new ATOM 0 HG11 VAL A 8 12.193 3.482 -9.775 1.00 34.12 H new ATOM 0 HG12 VAL A 8 12.690 5.190 -9.763 1.00 34.12 H new ATOM 0 HG13 VAL A 8 13.900 3.910 -9.509 1.00 34.12 H new ATOM 0 HG21 VAL A 8 12.118 2.189 -7.670 1.00 75.11 H new ATOM 0 HG22 VAL A 8 13.821 2.566 -7.317 1.00 75.11 H new ATOM 0 HG23 VAL A 8 12.557 2.958 -6.127 1.00 75.11 H new ATOM 123 N ALA A 9 12.208 7.210 -7.774 1.00 31.42 N ATOM 124 CA ALA A 9 11.929 8.498 -8.396 1.00 11.04 C ATOM 125 C ALA A 9 12.758 9.607 -7.757 1.00 21.11 C ATOM 126 O ALA A 9 13.014 10.640 -8.376 1.00 4.03 O ATOM 127 CB ALA A 9 10.446 8.822 -8.297 1.00 35.35 C ATOM 0 H ALA A 9 11.416 6.800 -7.279 1.00 31.42 H new ATOM 0 HA ALA A 9 12.206 8.433 -9.448 1.00 11.04 H new ATOM 0 HB1 ALA A 9 10.252 9.787 -8.766 1.00 35.35 H new ATOM 0 HB2 ALA A 9 9.870 8.049 -8.806 1.00 35.35 H new ATOM 0 HB3 ALA A 9 10.152 8.862 -7.248 1.00 35.35 H new ATOM 133 N LYS A 10 13.175 9.387 -6.515 1.00 31.14 N ATOM 134 CA LYS A 10 13.976 10.367 -5.791 1.00 20.11 C ATOM 135 C LYS A 10 15.444 10.275 -6.195 1.00 20.43 C ATOM 136 O LYS A 10 16.092 11.289 -6.451 1.00 45.25 O ATOM 137 CB LYS A 10 13.837 10.155 -4.282 1.00 0.34 C ATOM 138 CG LYS A 10 14.572 11.193 -3.452 1.00 4.24 C ATOM 139 CD LYS A 10 14.128 12.604 -3.801 1.00 64.44 C ATOM 140 CE LYS A 10 12.643 12.802 -3.539 1.00 24.40 C ATOM 141 NZ LYS A 10 12.274 12.443 -2.142 1.00 24.44 N ATOM 0 H LYS A 10 12.971 8.538 -5.988 1.00 31.14 H new ATOM 0 HA LYS A 10 13.608 11.361 -6.047 1.00 20.11 H new ATOM 0 HB2 LYS A 10 12.780 10.172 -4.017 1.00 0.34 H new ATOM 0 HB3 LYS A 10 14.214 9.165 -4.026 1.00 0.34 H new ATOM 0 HG2 LYS A 10 14.393 11.006 -2.393 1.00 4.24 H new ATOM 0 HG3 LYS A 10 15.645 11.098 -3.616 1.00 4.24 H new ATOM 0 HD2 LYS A 10 14.701 13.322 -3.215 1.00 64.44 H new ATOM 0 HD3 LYS A 10 14.343 12.805 -4.850 1.00 64.44 H new ATOM 0 HE2 LYS A 10 12.376 13.841 -3.729 1.00 24.40 H new ATOM 0 HE3 LYS A 10 12.067 12.192 -4.235 1.00 24.40 H new ATOM 0 HZ1 LYS A 10 11.282 12.702 -1.967 1.00 24.44 H new ATOM 0 HZ2 LYS A 10 12.394 11.419 -2.003 1.00 24.44 H new ATOM 0 HZ3 LYS A 10 12.888 12.956 -1.478 1.00 24.44 H new ATOM 155 N PHE A 11 15.962 9.052 -6.250 1.00 50.13 N ATOM 156 CA PHE A 11 17.354 8.828 -6.624 1.00 34.32 C ATOM 157 C PHE A 11 17.449 8.185 -8.004 1.00 64.42 C ATOM 158 O PHE A 11 17.799 8.841 -8.984 1.00 43.10 O ATOM 159 CB PHE A 11 18.046 7.941 -5.586 1.00 75.15 C ATOM 160 CG PHE A 11 18.239 8.613 -4.257 1.00 64.32 C ATOM 161 CD1 PHE A 11 19.369 9.376 -4.010 1.00 52.53 C ATOM 162 CD2 PHE A 11 17.292 8.481 -3.255 1.00 20.03 C ATOM 163 CE1 PHE A 11 19.550 9.995 -2.788 1.00 32.03 C ATOM 164 CE2 PHE A 11 17.467 9.098 -2.030 1.00 65.42 C ATOM 165 CZ PHE A 11 18.598 9.856 -1.797 1.00 15.41 C ATOM 0 H PHE A 11 15.439 8.202 -6.041 1.00 50.13 H new ATOM 0 HA PHE A 11 17.856 9.795 -6.658 1.00 34.32 H new ATOM 0 HB2 PHE A 11 17.457 7.035 -5.444 1.00 75.15 H new ATOM 0 HB3 PHE A 11 19.017 7.633 -5.973 1.00 75.15 H new ATOM 0 HD1 PHE A 11 20.117 9.488 -4.781 1.00 52.53 H new ATOM 0 HD2 PHE A 11 16.406 7.889 -3.433 1.00 20.03 H new ATOM 0 HE1 PHE A 11 20.435 10.587 -2.608 1.00 32.03 H new ATOM 0 HE2 PHE A 11 16.721 8.987 -1.257 1.00 65.42 H new ATOM 0 HZ PHE A 11 18.738 10.339 -0.841 1.00 15.41 H new ATOM 175 N GLY A 12 17.136 6.894 -8.073 1.00 1.15 N ATOM 176 CA GLY A 12 17.194 6.183 -9.336 1.00 74.31 C ATOM 177 C GLY A 12 17.031 4.685 -9.166 1.00 51.33 C ATOM 178 O GLY A 12 17.394 4.129 -8.130 1.00 73.51 O ATOM 0 H GLY A 12 16.843 6.329 -7.276 1.00 1.15 H new ATOM 0 HA2 GLY A 12 16.412 6.558 -9.997 1.00 74.31 H new ATOM 0 HA3 GLY A 12 18.148 6.389 -9.822 1.00 74.31 H new ATOM 182 N TRP A 13 16.483 4.032 -10.185 1.00 12.44 N ATOM 183 CA TRP A 13 16.271 2.590 -10.142 1.00 62.13 C ATOM 184 C TRP A 13 17.554 1.862 -9.757 1.00 4.53 C ATOM 185 O TRP A 13 17.607 1.128 -8.770 1.00 3.11 O ATOM 186 CB TRP A 13 15.773 2.087 -11.498 1.00 72.12 C ATOM 187 CG TRP A 13 14.416 1.453 -11.435 1.00 0.44 C ATOM 188 CD1 TRP A 13 13.409 1.579 -12.349 1.00 23.32 C ATOM 189 CD2 TRP A 13 13.918 0.597 -10.401 1.00 14.42 C ATOM 190 NE1 TRP A 13 12.315 0.852 -11.946 1.00 11.24 N ATOM 191 CE2 TRP A 13 12.602 0.240 -10.754 1.00 55.31 C ATOM 192 CE3 TRP A 13 14.455 0.096 -9.212 1.00 43.23 C ATOM 193 CZ2 TRP A 13 11.818 -0.593 -9.960 1.00 61.12 C ATOM 194 CZ3 TRP A 13 13.676 -0.730 -8.425 1.00 63.53 C ATOM 195 CH2 TRP A 13 12.370 -1.069 -8.802 1.00 71.20 C ATOM 0 H TRP A 13 16.178 4.478 -11.050 1.00 12.44 H new ATOM 0 HA TRP A 13 15.516 2.381 -9.384 1.00 62.13 H new ATOM 0 HB2 TRP A 13 15.744 2.922 -12.199 1.00 72.12 H new ATOM 0 HB3 TRP A 13 16.486 1.364 -11.893 1.00 72.12 H new ATOM 0 HD1 TRP A 13 13.464 2.164 -13.255 1.00 23.32 H new ATOM 0 HE1 TRP A 13 11.432 0.780 -12.452 1.00 11.24 H new ATOM 0 HE3 TRP A 13 15.461 0.350 -8.914 1.00 43.23 H new ATOM 0 HZ2 TRP A 13 10.810 -0.854 -10.248 1.00 61.12 H new ATOM 0 HZ3 TRP A 13 14.081 -1.121 -7.503 1.00 63.53 H new ATOM 0 HH2 TRP A 13 11.787 -1.719 -8.166 1.00 71.20 H new ATOM 206 N PRO A 14 18.615 2.069 -10.551 1.00 50.34 N ATOM 207 CA PRO A 14 19.918 1.442 -10.312 1.00 20.02 C ATOM 208 C PRO A 14 20.612 2.002 -9.075 1.00 22.20 C ATOM 209 O PRO A 14 21.658 1.501 -8.659 1.00 14.43 O ATOM 210 CB PRO A 14 20.714 1.785 -11.573 1.00 42.23 C ATOM 211 CG PRO A 14 20.084 3.031 -12.092 1.00 55.21 C ATOM 212 CD PRO A 14 18.624 2.932 -11.745 1.00 32.02 C ATOM 0 HA PRO A 14 19.827 0.372 -10.127 1.00 20.02 H new ATOM 0 HB2 PRO A 14 21.769 1.940 -11.345 1.00 42.23 H new ATOM 0 HB3 PRO A 14 20.661 0.980 -12.306 1.00 42.23 H new ATOM 0 HG2 PRO A 14 20.534 3.914 -11.638 1.00 55.21 H new ATOM 0 HG3 PRO A 14 20.224 3.120 -13.169 1.00 55.21 H new ATOM 0 HD2 PRO A 14 18.193 3.911 -11.536 1.00 32.02 H new ATOM 0 HD3 PRO A 14 18.046 2.497 -12.560 1.00 32.02 H new ATOM 220 N ILE A 15 20.025 3.041 -8.492 1.00 13.11 N ATOM 221 CA ILE A 15 20.587 3.667 -7.302 1.00 12.14 C ATOM 222 C ILE A 15 19.965 3.093 -6.033 1.00 41.10 C ATOM 223 O ILE A 15 20.555 3.159 -4.955 1.00 23.03 O ATOM 224 CB ILE A 15 20.379 5.193 -7.317 1.00 10.14 C ATOM 225 CG1 ILE A 15 21.044 5.808 -8.550 1.00 0.24 C ATOM 226 CG2 ILE A 15 20.933 5.815 -6.044 1.00 14.55 C ATOM 227 CD1 ILE A 15 22.539 5.586 -8.604 1.00 3.12 C ATOM 0 H ILE A 15 19.160 3.467 -8.824 1.00 13.11 H new ATOM 0 HA ILE A 15 21.656 3.454 -7.308 1.00 12.14 H new ATOM 0 HB ILE A 15 19.310 5.399 -7.364 1.00 10.14 H new ATOM 0 HG12 ILE A 15 20.590 5.386 -9.446 1.00 0.24 H new ATOM 0 HG13 ILE A 15 20.843 6.879 -8.565 1.00 0.24 H new ATOM 0 HG21 ILE A 15 20.779 6.894 -6.069 1.00 14.55 H new ATOM 0 HG22 ILE A 15 20.418 5.395 -5.180 1.00 14.55 H new ATOM 0 HG23 ILE A 15 22.000 5.603 -5.970 1.00 14.55 H new ATOM 0 HD11 ILE A 15 22.943 6.049 -9.504 1.00 3.12 H new ATOM 0 HD12 ILE A 15 23.005 6.033 -7.726 1.00 3.12 H new ATOM 0 HD13 ILE A 15 22.748 4.516 -8.621 1.00 3.12 H new ATOM 239 N VAL A 16 18.770 2.528 -6.170 1.00 33.03 N ATOM 240 CA VAL A 16 18.068 1.939 -5.035 1.00 63.13 C ATOM 241 C VAL A 16 18.335 0.441 -4.942 1.00 25.14 C ATOM 242 O VAL A 16 18.285 -0.144 -3.859 1.00 42.32 O ATOM 243 CB VAL A 16 16.549 2.173 -5.132 1.00 0.34 C ATOM 244 CG1 VAL A 16 16.225 3.650 -4.965 1.00 13.03 C ATOM 245 CG2 VAL A 16 16.012 1.647 -6.454 1.00 10.10 C ATOM 0 H VAL A 16 18.267 2.465 -7.055 1.00 33.03 H new ATOM 0 HA VAL A 16 18.447 2.430 -4.139 1.00 63.13 H new ATOM 0 HB VAL A 16 16.062 1.625 -4.325 1.00 0.34 H new ATOM 0 HG11 VAL A 16 15.147 3.796 -5.036 1.00 13.03 H new ATOM 0 HG12 VAL A 16 16.574 3.991 -3.990 1.00 13.03 H new ATOM 0 HG13 VAL A 16 16.722 4.222 -5.749 1.00 13.03 H new ATOM 0 HG21 VAL A 16 14.937 1.821 -6.505 1.00 10.10 H new ATOM 0 HG22 VAL A 16 16.503 2.165 -7.278 1.00 10.10 H new ATOM 0 HG23 VAL A 16 16.210 0.578 -6.528 1.00 10.10 H new ATOM 255 N LYS A 17 18.620 -0.176 -6.083 1.00 64.13 N ATOM 256 CA LYS A 17 18.898 -1.607 -6.132 1.00 11.32 C ATOM 257 C LYS A 17 20.175 -1.940 -5.366 1.00 55.43 C ATOM 258 O LYS A 17 20.349 -3.060 -4.886 1.00 13.21 O ATOM 259 CB LYS A 17 19.025 -2.074 -7.584 1.00 11.53 C ATOM 260 CG LYS A 17 17.704 -2.490 -8.206 1.00 73.43 C ATOM 261 CD LYS A 17 17.367 -3.937 -7.884 1.00 12.54 C ATOM 262 CE LYS A 17 18.069 -4.897 -8.831 1.00 24.23 C ATOM 263 NZ LYS A 17 17.564 -4.770 -10.226 1.00 12.14 N ATOM 0 H LYS A 17 18.665 0.293 -6.988 1.00 64.13 H new ATOM 0 HA LYS A 17 18.066 -2.129 -5.660 1.00 11.32 H new ATOM 0 HB2 LYS A 17 19.460 -1.271 -8.179 1.00 11.53 H new ATOM 0 HB3 LYS A 17 19.718 -2.914 -7.627 1.00 11.53 H new ATOM 0 HG2 LYS A 17 16.908 -1.840 -7.841 1.00 73.43 H new ATOM 0 HG3 LYS A 17 17.752 -2.359 -9.287 1.00 73.43 H new ATOM 0 HD2 LYS A 17 17.658 -4.159 -6.857 1.00 12.54 H new ATOM 0 HD3 LYS A 17 16.289 -4.084 -7.949 1.00 12.54 H new ATOM 0 HE2 LYS A 17 19.142 -4.704 -8.814 1.00 24.23 H new ATOM 0 HE3 LYS A 17 17.924 -5.920 -8.484 1.00 24.23 H new ATOM 0 HZ1 LYS A 17 17.167 -5.680 -10.536 1.00 12.14 H new ATOM 0 HZ2 LYS A 17 16.825 -4.039 -10.262 1.00 12.14 H new ATOM 0 HZ3 LYS A 17 18.347 -4.502 -10.856 1.00 12.14 H new ATOM 277 N LYS A 18 21.065 -0.959 -5.255 1.00 33.43 N ATOM 278 CA LYS A 18 22.325 -1.147 -4.545 1.00 54.41 C ATOM 279 C LYS A 18 22.121 -1.037 -3.037 1.00 62.43 C ATOM 280 O LYS A 18 22.830 -1.675 -2.258 1.00 10.31 O ATOM 281 CB LYS A 18 23.353 -0.112 -5.008 1.00 11.11 C ATOM 282 CG LYS A 18 24.355 -0.657 -6.011 1.00 11.22 C ATOM 283 CD LYS A 18 25.754 -0.126 -5.746 1.00 31.21 C ATOM 284 CE LYS A 18 26.410 0.378 -7.022 1.00 71.54 C ATOM 285 NZ LYS A 18 27.336 -0.632 -7.606 1.00 33.40 N ATOM 0 H LYS A 18 20.937 -0.026 -5.647 1.00 33.43 H new ATOM 0 HA LYS A 18 22.696 -2.146 -4.772 1.00 54.41 H new ATOM 0 HB2 LYS A 18 22.829 0.734 -5.453 1.00 11.11 H new ATOM 0 HB3 LYS A 18 23.891 0.267 -4.139 1.00 11.11 H new ATOM 0 HG2 LYS A 18 24.363 -1.746 -5.964 1.00 11.22 H new ATOM 0 HG3 LYS A 18 24.046 -0.384 -7.020 1.00 11.22 H new ATOM 0 HD2 LYS A 18 25.705 0.683 -5.017 1.00 31.21 H new ATOM 0 HD3 LYS A 18 26.366 -0.914 -5.308 1.00 31.21 H new ATOM 0 HE2 LYS A 18 25.640 0.629 -7.751 1.00 71.54 H new ATOM 0 HE3 LYS A 18 26.960 1.295 -6.810 1.00 71.54 H new ATOM 0 HZ1 LYS A 18 27.763 -0.251 -8.474 1.00 33.40 H new ATOM 0 HZ2 LYS A 18 28.086 -0.853 -6.920 1.00 33.40 H new ATOM 0 HZ3 LYS A 18 26.807 -1.498 -7.832 1.00 33.40 H new ATOM 299 N TYR A 19 21.149 -0.228 -2.633 1.00 52.33 N ATOM 300 CA TYR A 19 20.853 -0.035 -1.219 1.00 0.14 C ATOM 301 C TYR A 19 19.520 -0.678 -0.848 1.00 40.12 C ATOM 302 O TYR A 19 18.842 -0.238 0.081 1.00 42.33 O ATOM 303 CB TYR A 19 20.824 1.457 -0.881 1.00 32.31 C ATOM 304 CG TYR A 19 22.136 2.162 -1.140 1.00 11.00 C ATOM 305 CD1 TYR A 19 22.505 2.533 -2.427 1.00 51.41 C ATOM 306 CD2 TYR A 19 23.007 2.456 -0.098 1.00 52.23 C ATOM 307 CE1 TYR A 19 23.703 3.177 -2.669 1.00 0.41 C ATOM 308 CE2 TYR A 19 24.206 3.101 -0.331 1.00 1.25 C ATOM 309 CZ TYR A 19 24.550 3.459 -1.617 1.00 51.54 C ATOM 310 OH TYR A 19 25.744 4.101 -1.853 1.00 23.20 O ATOM 0 H TYR A 19 20.552 0.305 -3.265 1.00 52.33 H new ATOM 0 HA TYR A 19 21.641 -0.517 -0.640 1.00 0.14 H new ATOM 0 HB2 TYR A 19 20.041 1.938 -1.466 1.00 32.31 H new ATOM 0 HB3 TYR A 19 20.557 1.578 0.169 1.00 32.31 H new ATOM 0 HD1 TYR A 19 21.844 2.314 -3.253 1.00 51.41 H new ATOM 0 HD2 TYR A 19 22.742 2.176 0.911 1.00 52.23 H new ATOM 0 HE1 TYR A 19 23.975 3.458 -3.676 1.00 0.41 H new ATOM 0 HE2 TYR A 19 24.871 3.324 0.490 1.00 1.25 H new ATOM 0 HH TYR A 19 26.222 4.225 -1.006 1.00 23.20 H new ATOM 320 N TYR A 20 19.151 -1.723 -1.581 1.00 11.50 N ATOM 321 CA TYR A 20 17.899 -2.427 -1.332 1.00 54.50 C ATOM 322 C TYR A 20 18.024 -3.350 -0.124 1.00 73.54 C ATOM 323 O TYR A 20 17.044 -3.950 0.318 1.00 32.22 O ATOM 324 CB TYR A 20 17.489 -3.233 -2.565 1.00 71.42 C ATOM 325 CG TYR A 20 16.033 -3.070 -2.940 1.00 3.50 C ATOM 326 CD1 TYR A 20 15.048 -3.002 -1.963 1.00 34.52 C ATOM 327 CD2 TYR A 20 15.643 -2.983 -4.271 1.00 4.34 C ATOM 328 CE1 TYR A 20 13.716 -2.854 -2.300 1.00 42.53 C ATOM 329 CE2 TYR A 20 14.315 -2.832 -4.617 1.00 73.13 C ATOM 330 CZ TYR A 20 13.355 -2.768 -3.629 1.00 31.33 C ATOM 331 OH TYR A 20 12.030 -2.620 -3.970 1.00 42.20 O ATOM 0 H TYR A 20 19.701 -2.101 -2.352 1.00 11.50 H new ATOM 0 HA TYR A 20 17.130 -1.684 -1.120 1.00 54.50 H new ATOM 0 HB2 TYR A 20 18.109 -2.930 -3.409 1.00 71.42 H new ATOM 0 HB3 TYR A 20 17.692 -4.288 -2.383 1.00 71.42 H new ATOM 0 HD1 TYR A 20 15.328 -3.066 -0.922 1.00 34.52 H new ATOM 0 HD2 TYR A 20 16.391 -3.034 -5.048 1.00 4.34 H new ATOM 0 HE1 TYR A 20 12.962 -2.806 -1.528 1.00 42.53 H new ATOM 0 HE2 TYR A 20 14.029 -2.764 -5.656 1.00 73.13 H new ATOM 0 HH TYR A 20 11.946 -2.574 -4.945 1.00 42.20 H new ATOM 341 N LYS A 21 19.237 -3.460 0.405 1.00 4.11 N ATOM 342 CA LYS A 21 19.494 -4.308 1.563 1.00 71.21 C ATOM 343 C LYS A 21 19.345 -3.519 2.860 1.00 44.34 C ATOM 344 O LYS A 21 19.318 -4.094 3.947 1.00 74.42 O ATOM 345 CB LYS A 21 20.898 -4.911 1.478 1.00 1.13 C ATOM 346 CG LYS A 21 21.155 -5.676 0.192 1.00 61.03 C ATOM 347 CD LYS A 21 22.642 -5.841 -0.071 1.00 65.14 C ATOM 348 CE LYS A 21 23.266 -6.856 0.874 1.00 24.11 C ATOM 349 NZ LYS A 21 22.911 -8.253 0.501 1.00 64.32 N ATOM 0 H LYS A 21 20.059 -2.972 0.050 1.00 4.11 H new ATOM 0 HA LYS A 21 18.759 -5.113 1.562 1.00 71.21 H new ATOM 0 HB2 LYS A 21 21.634 -4.112 1.568 1.00 1.13 H new ATOM 0 HB3 LYS A 21 21.049 -5.580 2.325 1.00 1.13 H new ATOM 0 HG2 LYS A 21 20.684 -6.657 0.251 1.00 61.03 H new ATOM 0 HG3 LYS A 21 20.693 -5.150 -0.644 1.00 61.03 H new ATOM 0 HD2 LYS A 21 22.797 -6.159 -1.102 1.00 65.14 H new ATOM 0 HD3 LYS A 21 23.142 -4.879 0.045 1.00 65.14 H new ATOM 0 HE2 LYS A 21 24.350 -6.742 0.865 1.00 24.11 H new ATOM 0 HE3 LYS A 21 22.933 -6.656 1.893 1.00 24.11 H new ATOM 0 HZ1 LYS A 21 23.461 -8.918 1.082 1.00 64.32 H new ATOM 0 HZ2 LYS A 21 21.896 -8.409 0.664 1.00 64.32 H new ATOM 0 HZ3 LYS A 21 23.128 -8.410 -0.504 1.00 64.32 H new ATOM 363 N GLN A 22 19.249 -2.199 2.736 1.00 41.13 N ATOM 364 CA GLN A 22 19.103 -1.332 3.899 1.00 55.33 C ATOM 365 C GLN A 22 17.703 -0.728 3.955 1.00 61.03 C ATOM 366 O GLN A 22 16.993 -0.874 4.950 1.00 2.02 O ATOM 367 CB GLN A 22 20.150 -0.218 3.866 1.00 4.21 C ATOM 368 CG GLN A 22 21.569 -0.710 4.103 1.00 0.15 C ATOM 369 CD GLN A 22 22.343 -0.903 2.814 1.00 2.14 C ATOM 370 OE1 GLN A 22 21.777 -0.847 1.722 1.00 0.34 O ATOM 371 NE2 GLN A 22 23.646 -1.132 2.934 1.00 13.24 N ATOM 0 H GLN A 22 19.270 -1.707 1.843 1.00 41.13 H new ATOM 0 HA GLN A 22 19.255 -1.937 4.793 1.00 55.33 H new ATOM 0 HB2 GLN A 22 20.105 0.283 2.899 1.00 4.21 H new ATOM 0 HB3 GLN A 22 19.901 0.526 4.623 1.00 4.21 H new ATOM 0 HG2 GLN A 22 22.096 0.004 4.735 1.00 0.15 H new ATOM 0 HG3 GLN A 22 21.536 -1.654 4.647 1.00 0.15 H new ATOM 0 HE21 GLN A 22 24.074 -1.170 3.859 1.00 13.24 H new ATOM 0 HE22 GLN A 22 24.218 -1.270 2.101 1.00 13.24 H new ATOM 380 N ILE A 23 17.313 -0.050 2.881 1.00 43.14 N ATOM 381 CA ILE A 23 15.999 0.575 2.808 1.00 55.11 C ATOM 382 C ILE A 23 14.897 -0.421 3.154 1.00 13.44 C ATOM 383 O ILE A 23 14.241 -0.301 4.189 1.00 41.21 O ATOM 384 CB ILE A 23 15.728 1.156 1.407 1.00 0.15 C ATOM 385 CG1 ILE A 23 16.784 2.205 1.054 1.00 43.01 C ATOM 386 CG2 ILE A 23 14.333 1.759 1.345 1.00 52.52 C ATOM 387 CD1 ILE A 23 17.229 2.152 -0.391 1.00 73.20 C ATOM 0 H ILE A 23 17.889 0.080 2.049 1.00 43.14 H new ATOM 0 HA ILE A 23 15.995 1.386 3.536 1.00 55.11 H new ATOM 0 HB ILE A 23 15.786 0.349 0.677 1.00 0.15 H new ATOM 0 HG12 ILE A 23 16.385 3.197 1.267 1.00 43.01 H new ATOM 0 HG13 ILE A 23 17.652 2.066 1.698 1.00 43.01 H new ATOM 0 HG21 ILE A 23 14.156 2.165 0.349 1.00 52.52 H new ATOM 0 HG22 ILE A 23 13.593 0.987 1.559 1.00 52.52 H new ATOM 0 HG23 ILE A 23 14.248 2.557 2.083 1.00 52.52 H new ATOM 0 HD11 ILE A 23 17.978 2.923 -0.570 1.00 73.20 H new ATOM 0 HD12 ILE A 23 17.659 1.173 -0.604 1.00 73.20 H new ATOM 0 HD13 ILE A 23 16.371 2.321 -1.042 1.00 73.20 H new ATOM 399 N MET A 24 14.700 -1.404 2.283 1.00 60.24 N ATOM 400 CA MET A 24 13.679 -2.423 2.498 1.00 23.23 C ATOM 401 C MET A 24 13.891 -3.131 3.833 1.00 51.31 C ATOM 402 O MET A 24 12.950 -3.668 4.416 1.00 14.22 O ATOM 403 CB MET A 24 13.698 -3.443 1.358 1.00 32.33 C ATOM 404 CG MET A 24 12.536 -4.423 1.400 1.00 11.42 C ATOM 405 SD MET A 24 11.182 -3.941 0.311 1.00 12.35 S ATOM 406 CE MET A 24 10.290 -5.488 0.175 1.00 64.23 C ATOM 0 H MET A 24 15.234 -1.517 1.421 1.00 60.24 H new ATOM 0 HA MET A 24 12.707 -1.930 2.518 1.00 23.23 H new ATOM 0 HB2 MET A 24 13.681 -2.912 0.406 1.00 32.33 H new ATOM 0 HB3 MET A 24 14.634 -4.000 1.395 1.00 32.33 H new ATOM 0 HG2 MET A 24 12.891 -5.414 1.116 1.00 11.42 H new ATOM 0 HG3 MET A 24 12.166 -4.498 2.422 1.00 11.42 H new ATOM 0 HE1 MET A 24 9.422 -5.352 -0.470 1.00 64.23 H new ATOM 0 HE2 MET A 24 10.944 -6.248 -0.253 1.00 64.23 H new ATOM 0 HE3 MET A 24 9.961 -5.807 1.164 1.00 64.23 H new ATOM 416 N GLN A 25 15.132 -3.127 4.310 1.00 74.05 N ATOM 417 CA GLN A 25 15.465 -3.770 5.575 1.00 2.10 C ATOM 418 C GLN A 25 15.016 -2.915 6.755 1.00 14.11 C ATOM 419 O GLN A 25 14.809 -3.421 7.858 1.00 15.34 O ATOM 420 CB GLN A 25 16.971 -4.026 5.660 1.00 51.02 C ATOM 421 CG GLN A 25 17.431 -4.501 7.029 1.00 60.14 C ATOM 422 CD GLN A 25 16.590 -5.643 7.563 1.00 71.50 C ATOM 423 OE1 GLN A 25 16.080 -5.584 8.682 1.00 2.33 O ATOM 424 NE2 GLN A 25 16.440 -6.693 6.763 1.00 12.04 N ATOM 0 H GLN A 25 15.922 -2.686 3.840 1.00 74.05 H new ATOM 0 HA GLN A 25 14.938 -4.723 5.619 1.00 2.10 H new ATOM 0 HB2 GLN A 25 17.247 -4.772 4.914 1.00 51.02 H new ATOM 0 HB3 GLN A 25 17.502 -3.109 5.406 1.00 51.02 H new ATOM 0 HG2 GLN A 25 18.472 -4.819 6.968 1.00 60.14 H new ATOM 0 HG3 GLN A 25 17.393 -3.668 7.730 1.00 60.14 H new ATOM 0 HE21 GLN A 25 16.880 -6.700 5.843 1.00 12.04 H new ATOM 0 HE22 GLN A 25 15.884 -7.492 7.069 1.00 12.04 H new ATOM 433 N PHE A 26 14.867 -1.616 6.516 1.00 73.22 N ATOM 434 CA PHE A 26 14.443 -0.690 7.559 1.00 32.14 C ATOM 435 C PHE A 26 12.921 -0.639 7.655 1.00 12.55 C ATOM 436 O PHE A 26 12.353 -0.755 8.742 1.00 53.33 O ATOM 437 CB PHE A 26 14.995 0.710 7.284 1.00 64.22 C ATOM 438 CG PHE A 26 16.477 0.824 7.504 1.00 33.35 C ATOM 439 CD1 PHE A 26 17.069 0.259 8.623 1.00 43.15 C ATOM 440 CD2 PHE A 26 17.277 1.495 6.594 1.00 73.22 C ATOM 441 CE1 PHE A 26 18.432 0.363 8.828 1.00 10.23 C ATOM 442 CE2 PHE A 26 18.640 1.602 6.794 1.00 22.30 C ATOM 443 CZ PHE A 26 19.219 1.034 7.912 1.00 14.24 C ATOM 0 H PHE A 26 15.034 -1.181 5.609 1.00 73.22 H new ATOM 0 HA PHE A 26 14.838 -1.048 8.510 1.00 32.14 H new ATOM 0 HB2 PHE A 26 14.766 0.986 6.255 1.00 64.22 H new ATOM 0 HB3 PHE A 26 14.484 1.426 7.927 1.00 64.22 H new ATOM 0 HD1 PHE A 26 16.459 -0.268 9.342 1.00 43.15 H new ATOM 0 HD2 PHE A 26 16.830 1.940 5.717 1.00 73.22 H new ATOM 0 HE1 PHE A 26 18.882 -0.080 9.704 1.00 10.23 H new ATOM 0 HE2 PHE A 26 19.252 2.129 6.077 1.00 22.30 H new ATOM 0 HZ PHE A 26 20.284 1.114 8.070 1.00 14.24 H new ATOM 453 N ILE A 27 12.268 -0.463 6.512 1.00 55.02 N ATOM 454 CA ILE A 27 10.812 -0.396 6.466 1.00 22.45 C ATOM 455 C ILE A 27 10.185 -1.594 7.171 1.00 32.25 C ATOM 456 O ILE A 27 9.077 -1.507 7.699 1.00 1.15 O ATOM 457 CB ILE A 27 10.296 -0.340 5.016 1.00 21.35 C ATOM 458 CG1 ILE A 27 10.621 -1.644 4.285 1.00 23.45 C ATOM 459 CG2 ILE A 27 10.901 0.849 4.285 1.00 71.53 C ATOM 460 CD1 ILE A 27 10.061 -1.706 2.882 1.00 71.32 C ATOM 0 H ILE A 27 12.724 -0.364 5.605 1.00 55.02 H new ATOM 0 HA ILE A 27 10.522 0.520 6.981 1.00 22.45 H new ATOM 0 HB ILE A 27 9.213 -0.217 5.035 1.00 21.35 H new ATOM 0 HG12 ILE A 27 11.703 -1.766 4.241 1.00 23.45 H new ATOM 0 HG13 ILE A 27 10.229 -2.482 4.861 1.00 23.45 H new ATOM 0 HG21 ILE A 27 10.527 0.875 3.261 1.00 71.53 H new ATOM 0 HG22 ILE A 27 10.623 1.770 4.797 1.00 71.53 H new ATOM 0 HG23 ILE A 27 11.987 0.754 4.272 1.00 71.53 H new ATOM 0 HD11 ILE A 27 10.330 -2.658 2.424 1.00 71.32 H new ATOM 0 HD12 ILE A 27 8.975 -1.616 2.919 1.00 71.32 H new ATOM 0 HD13 ILE A 27 10.473 -0.889 2.289 1.00 71.32 H new ATOM 472 N GLY A 28 10.903 -2.714 7.177 1.00 13.52 N ATOM 473 CA GLY A 28 10.401 -3.913 7.822 1.00 62.12 C ATOM 474 C GLY A 28 10.127 -3.707 9.298 1.00 1.53 C ATOM 475 O GLY A 28 9.400 -4.484 9.915 1.00 13.12 O ATOM 0 H GLY A 28 11.823 -2.812 6.747 1.00 13.52 H new ATOM 0 HA2 GLY A 28 9.484 -4.231 7.327 1.00 62.12 H new ATOM 0 HA3 GLY A 28 11.125 -4.718 7.699 1.00 62.12 H new ATOM 479 N GLU A 29 10.713 -2.657 9.866 1.00 15.32 N ATOM 480 CA GLU A 29 10.529 -2.353 11.280 1.00 12.24 C ATOM 481 C GLU A 29 9.452 -1.289 11.473 1.00 41.31 C ATOM 482 O GLU A 29 8.334 -1.589 11.888 1.00 72.50 O ATOM 483 CB GLU A 29 11.846 -1.879 11.898 1.00 11.13 C ATOM 484 CG GLU A 29 11.693 -1.320 13.303 1.00 51.42 C ATOM 485 CD GLU A 29 11.177 -2.350 14.288 1.00 21.32 C ATOM 486 OE1 GLU A 29 11.672 -3.496 14.262 1.00 32.43 O ATOM 487 OE2 GLU A 29 10.278 -2.010 15.086 1.00 41.24 O ATOM 0 H GLU A 29 11.318 -2.004 9.369 1.00 15.32 H new ATOM 0 HA GLU A 29 10.208 -3.265 11.782 1.00 12.24 H new ATOM 0 HB2 GLU A 29 12.547 -2.713 11.922 1.00 11.13 H new ATOM 0 HB3 GLU A 29 12.284 -1.114 11.257 1.00 11.13 H new ATOM 0 HG2 GLU A 29 12.657 -0.944 13.647 1.00 51.42 H new ATOM 0 HG3 GLU A 29 11.010 -0.471 13.280 1.00 51.42 H new ATOM 494 N GLY A 30 9.799 -0.042 11.168 1.00 3.22 N ATOM 495 CA GLY A 30 8.853 1.049 11.315 1.00 71.45 C ATOM 496 C GLY A 30 9.507 2.408 11.167 1.00 61.10 C ATOM 497 O GLY A 30 9.311 3.292 12.001 1.00 42.01 O ATOM 0 H GLY A 30 10.718 0.232 10.822 1.00 3.22 H new ATOM 0 HA2 GLY A 30 8.065 0.945 10.569 1.00 71.45 H new ATOM 0 HA3 GLY A 30 8.377 0.983 12.293 1.00 71.45 H new ATOM 501 N TRP A 31 10.287 2.575 10.105 1.00 21.12 N ATOM 502 CA TRP A 31 10.974 3.836 9.853 1.00 41.54 C ATOM 503 C TRP A 31 9.983 4.928 9.466 1.00 14.43 C ATOM 504 O TRP A 31 8.777 4.691 9.405 1.00 73.14 O ATOM 505 CB TRP A 31 12.015 3.661 8.746 1.00 43.20 C ATOM 506 CG TRP A 31 13.379 3.315 9.263 1.00 51.02 C ATOM 507 CD1 TRP A 31 13.680 2.404 10.235 1.00 41.13 C ATOM 508 CD2 TRP A 31 14.625 3.876 8.836 1.00 0.20 C ATOM 509 NE1 TRP A 31 15.039 2.365 10.438 1.00 54.31 N ATOM 510 CE2 TRP A 31 15.641 3.258 9.592 1.00 53.35 C ATOM 511 CE3 TRP A 31 14.982 4.839 7.888 1.00 71.20 C ATOM 512 CZ2 TRP A 31 16.987 3.574 9.427 1.00 12.15 C ATOM 513 CZ3 TRP A 31 16.318 5.151 7.727 1.00 43.34 C ATOM 514 CH2 TRP A 31 17.308 4.520 8.492 1.00 14.23 C ATOM 0 H TRP A 31 10.459 1.853 9.405 1.00 21.12 H new ATOM 0 HA TRP A 31 11.477 4.136 10.772 1.00 41.54 H new ATOM 0 HB2 TRP A 31 11.683 2.877 8.065 1.00 43.20 H new ATOM 0 HB3 TRP A 31 12.077 4.582 8.166 1.00 43.20 H new ATOM 0 HD1 TRP A 31 12.957 1.803 10.766 1.00 41.13 H new ATOM 0 HE1 TRP A 31 15.521 1.768 11.110 1.00 54.31 H new ATOM 0 HE3 TRP A 31 14.227 5.330 7.292 1.00 71.20 H new ATOM 0 HZ2 TRP A 31 17.751 3.089 10.017 1.00 12.15 H new ATOM 0 HZ3 TRP A 31 16.605 5.895 6.998 1.00 43.34 H new ATOM 0 HH2 TRP A 31 18.344 4.785 8.341 1.00 14.23 H new ATOM 525 N ALA A 32 10.498 6.125 9.207 1.00 5.50 N ATOM 526 CA ALA A 32 9.658 7.253 8.824 1.00 13.05 C ATOM 527 C ALA A 32 9.399 7.260 7.322 1.00 71.13 C ATOM 528 O ALA A 32 9.708 6.293 6.625 1.00 35.40 O ATOM 529 CB ALA A 32 10.301 8.562 9.257 1.00 5.01 C ATOM 0 H ALA A 32 11.494 6.339 9.256 1.00 5.50 H new ATOM 0 HA ALA A 32 8.699 7.148 9.331 1.00 13.05 H new ATOM 0 HB1 ALA A 32 9.662 9.395 8.964 1.00 5.01 H new ATOM 0 HB2 ALA A 32 10.427 8.565 10.340 1.00 5.01 H new ATOM 0 HB3 ALA A 32 11.275 8.665 8.778 1.00 5.01 H new ATOM 535 N ILE A 33 8.830 8.355 6.829 1.00 3.10 N ATOM 536 CA ILE A 33 8.531 8.487 5.409 1.00 73.34 C ATOM 537 C ILE A 33 9.569 9.355 4.706 1.00 61.41 C ATOM 538 O ILE A 33 9.737 9.277 3.490 1.00 53.44 O ATOM 539 CB ILE A 33 7.133 9.093 5.182 1.00 62.21 C ATOM 540 CG1 ILE A 33 6.747 9.002 3.704 1.00 24.51 C ATOM 541 CG2 ILE A 33 7.100 10.538 5.655 1.00 14.33 C ATOM 542 CD1 ILE A 33 6.662 7.582 3.188 1.00 3.04 C ATOM 0 H ILE A 33 8.567 9.164 7.392 1.00 3.10 H new ATOM 0 HA ILE A 33 8.556 7.482 4.987 1.00 73.34 H new ATOM 0 HB ILE A 33 6.408 8.524 5.763 1.00 62.21 H new ATOM 0 HG12 ILE A 33 5.784 9.492 3.557 1.00 24.51 H new ATOM 0 HG13 ILE A 33 7.478 9.552 3.111 1.00 24.51 H new ATOM 0 HG21 ILE A 33 6.106 10.953 5.488 1.00 14.33 H new ATOM 0 HG22 ILE A 33 7.336 10.578 6.718 1.00 14.33 H new ATOM 0 HG23 ILE A 33 7.834 11.120 5.098 1.00 14.33 H new ATOM 0 HD11 ILE A 33 6.384 7.594 2.134 1.00 3.04 H new ATOM 0 HD12 ILE A 33 7.630 7.095 3.302 1.00 3.04 H new ATOM 0 HD13 ILE A 33 5.910 7.033 3.755 1.00 3.04 H new ATOM 554 N ASN A 34 10.265 10.180 5.481 1.00 23.43 N ATOM 555 CA ASN A 34 11.289 11.062 4.933 1.00 22.13 C ATOM 556 C ASN A 34 12.664 10.714 5.495 1.00 64.44 C ATOM 557 O ASN A 34 13.569 11.548 5.513 1.00 4.24 O ATOM 558 CB ASN A 34 10.954 12.522 5.245 1.00 73.24 C ATOM 559 CG ASN A 34 10.649 12.745 6.713 1.00 34.53 C ATOM 560 OD1 ASN A 34 11.466 12.439 7.582 1.00 71.13 O ATOM 561 ND2 ASN A 34 9.467 13.279 6.997 1.00 12.44 N ATOM 0 H ASN A 34 10.139 10.256 6.490 1.00 23.43 H new ATOM 0 HA ASN A 34 11.312 10.924 3.852 1.00 22.13 H new ATOM 0 HB2 ASN A 34 11.791 13.155 4.951 1.00 73.24 H new ATOM 0 HB3 ASN A 34 10.096 12.831 4.648 1.00 73.24 H new ATOM 0 HD21 ASN A 34 9.205 13.451 7.968 1.00 12.44 H new ATOM 0 HD22 ASN A 34 8.821 13.517 6.245 1.00 12.44 H new ATOM 568 N LYS A 35 12.815 9.475 5.951 1.00 33.20 N ATOM 569 CA LYS A 35 14.079 9.013 6.511 1.00 2.54 C ATOM 570 C LYS A 35 14.910 8.289 5.457 1.00 52.43 C ATOM 571 O LYS A 35 16.059 8.651 5.203 1.00 62.12 O ATOM 572 CB LYS A 35 13.825 8.085 7.701 1.00 0.33 C ATOM 573 CG LYS A 35 13.644 8.820 9.018 1.00 2.22 C ATOM 574 CD LYS A 35 14.925 8.824 9.835 1.00 4.01 C ATOM 575 CE LYS A 35 15.918 9.850 9.310 1.00 63.51 C ATOM 576 NZ LYS A 35 16.817 9.271 8.273 1.00 51.02 N ATOM 0 H LYS A 35 12.076 8.772 5.943 1.00 33.20 H new ATOM 0 HA LYS A 35 14.637 9.886 6.851 1.00 2.54 H new ATOM 0 HB2 LYS A 35 12.935 7.488 7.502 1.00 0.33 H new ATOM 0 HB3 LYS A 35 14.660 7.390 7.794 1.00 0.33 H new ATOM 0 HG2 LYS A 35 13.332 9.846 8.823 1.00 2.22 H new ATOM 0 HG3 LYS A 35 12.847 8.348 9.592 1.00 2.22 H new ATOM 0 HD2 LYS A 35 14.692 9.042 10.877 1.00 4.01 H new ATOM 0 HD3 LYS A 35 15.377 7.832 9.810 1.00 4.01 H new ATOM 0 HE2 LYS A 35 15.377 10.697 8.889 1.00 63.51 H new ATOM 0 HE3 LYS A 35 16.516 10.233 10.137 1.00 63.51 H new ATOM 0 HZ1 LYS A 35 17.805 9.343 8.590 1.00 51.02 H new ATOM 0 HZ2 LYS A 35 16.574 8.271 8.122 1.00 51.02 H new ATOM 0 HZ3 LYS A 35 16.701 9.794 7.382 1.00 51.02 H new ATOM 590 N ILE A 36 14.320 7.268 4.845 1.00 25.51 N ATOM 591 CA ILE A 36 15.006 6.495 3.816 1.00 11.42 C ATOM 592 C ILE A 36 15.608 7.408 2.753 1.00 14.22 C ATOM 593 O ILE A 36 16.680 7.129 2.216 1.00 73.14 O ATOM 594 CB ILE A 36 14.054 5.493 3.137 1.00 22.10 C ATOM 595 CG1 ILE A 36 12.720 6.166 2.807 1.00 45.15 C ATOM 596 CG2 ILE A 36 13.835 4.282 4.031 1.00 61.50 C ATOM 597 CD1 ILE A 36 11.815 5.320 1.939 1.00 21.22 C ATOM 0 H ILE A 36 13.369 6.957 5.043 1.00 25.51 H new ATOM 0 HA ILE A 36 15.805 5.945 4.314 1.00 11.42 H new ATOM 0 HB ILE A 36 14.509 5.156 2.206 1.00 22.10 H new ATOM 0 HG12 ILE A 36 12.202 6.402 3.736 1.00 45.15 H new ATOM 0 HG13 ILE A 36 12.915 7.112 2.301 1.00 45.15 H new ATOM 0 HG21 ILE A 36 13.160 3.583 3.538 1.00 61.50 H new ATOM 0 HG22 ILE A 36 14.790 3.792 4.220 1.00 61.50 H new ATOM 0 HG23 ILE A 36 13.398 4.602 4.977 1.00 61.50 H new ATOM 0 HD11 ILE A 36 10.888 5.860 1.745 1.00 21.22 H new ATOM 0 HD12 ILE A 36 12.314 5.105 0.994 1.00 21.22 H new ATOM 0 HD13 ILE A 36 11.590 4.385 2.451 1.00 21.22 H new ATOM 609 N ILE A 37 14.912 8.500 2.456 1.00 14.43 N ATOM 610 CA ILE A 37 15.379 9.456 1.460 1.00 71.13 C ATOM 611 C ILE A 37 16.668 10.134 1.911 1.00 42.15 C ATOM 612 O ILE A 37 17.666 10.136 1.189 1.00 31.32 O ATOM 613 CB ILE A 37 14.318 10.535 1.173 1.00 33.32 C ATOM 614 CG1 ILE A 37 13.032 9.890 0.651 1.00 40.31 C ATOM 615 CG2 ILE A 37 14.851 11.550 0.174 1.00 4.30 C ATOM 616 CD1 ILE A 37 12.014 9.610 1.734 1.00 72.53 C ATOM 0 H ILE A 37 14.022 8.745 2.891 1.00 14.43 H new ATOM 0 HA ILE A 37 15.568 8.892 0.546 1.00 71.13 H new ATOM 0 HB ILE A 37 14.090 11.056 2.103 1.00 33.32 H new ATOM 0 HG12 ILE A 37 12.584 10.545 -0.097 1.00 40.31 H new ATOM 0 HG13 ILE A 37 13.282 8.956 0.148 1.00 40.31 H new ATOM 0 HG21 ILE A 37 14.089 12.306 -0.018 1.00 4.30 H new ATOM 0 HG22 ILE A 37 15.742 12.028 0.581 1.00 4.30 H new ATOM 0 HG23 ILE A 37 15.104 11.045 -0.758 1.00 4.30 H new ATOM 0 HD11 ILE A 37 11.129 9.153 1.292 1.00 72.53 H new ATOM 0 HD12 ILE A 37 12.444 8.931 2.470 1.00 72.53 H new ATOM 0 HD13 ILE A 37 11.735 10.544 2.222 1.00 72.53 H new ATOM 628 N ASP A 38 16.641 10.708 3.108 1.00 34.03 N ATOM 629 CA ASP A 38 17.808 11.387 3.658 1.00 42.44 C ATOM 630 C ASP A 38 18.932 10.395 3.939 1.00 61.12 C ATOM 631 O ASP A 38 20.107 10.762 3.960 1.00 52.41 O ATOM 632 CB ASP A 38 17.435 12.131 4.941 1.00 41.31 C ATOM 633 CG ASP A 38 16.268 13.078 4.743 1.00 40.45 C ATOM 634 OD1 ASP A 38 15.942 13.382 3.576 1.00 55.13 O ATOM 635 OD2 ASP A 38 15.681 13.515 5.754 1.00 54.31 O ATOM 0 H ASP A 38 15.823 10.717 3.717 1.00 34.03 H new ATOM 0 HA ASP A 38 18.160 12.107 2.919 1.00 42.44 H new ATOM 0 HB2 ASP A 38 17.185 11.408 5.717 1.00 41.31 H new ATOM 0 HB3 ASP A 38 18.299 12.693 5.296 1.00 41.31 H new ATOM 640 N TRP A 39 18.563 9.138 4.155 1.00 65.41 N ATOM 641 CA TRP A 39 19.541 8.092 4.436 1.00 0.31 C ATOM 642 C TRP A 39 20.443 7.852 3.231 1.00 71.25 C ATOM 643 O TRP A 39 21.666 7.962 3.327 1.00 55.40 O ATOM 644 CB TRP A 39 18.832 6.794 4.825 1.00 22.04 C ATOM 645 CG TRP A 39 19.759 5.754 5.378 1.00 21.11 C ATOM 646 CD1 TRP A 39 20.162 5.622 6.676 1.00 32.43 C ATOM 647 CD2 TRP A 39 20.400 4.702 4.648 1.00 10.10 C ATOM 648 NE1 TRP A 39 21.014 4.551 6.797 1.00 25.13 N ATOM 649 CE2 TRP A 39 21.176 3.970 5.568 1.00 60.45 C ATOM 650 CE3 TRP A 39 20.392 4.307 3.308 1.00 62.52 C ATOM 651 CZ2 TRP A 39 21.936 2.867 5.187 1.00 21.23 C ATOM 652 CZ3 TRP A 39 21.147 3.212 2.932 1.00 23.10 C ATOM 653 CH2 TRP A 39 21.910 2.502 3.869 1.00 60.22 C ATOM 0 H TRP A 39 17.595 8.818 4.141 1.00 65.41 H new ATOM 0 HA TRP A 39 20.161 8.423 5.269 1.00 0.31 H new ATOM 0 HB2 TRP A 39 18.063 7.016 5.565 1.00 22.04 H new ATOM 0 HB3 TRP A 39 18.324 6.389 3.950 1.00 22.04 H new ATOM 0 HD1 TRP A 39 19.856 6.265 7.488 1.00 32.43 H new ATOM 0 HE1 TRP A 39 21.455 4.239 7.662 1.00 25.13 H new ATOM 0 HE3 TRP A 39 19.806 4.847 2.579 1.00 62.52 H new ATOM 0 HZ2 TRP A 39 22.525 2.319 5.907 1.00 21.23 H new ATOM 0 HZ3 TRP A 39 21.149 2.898 1.899 1.00 23.10 H new ATOM 0 HH2 TRP A 39 22.489 1.650 3.544 1.00 60.22 H new ATOM 664 N ILE A 40 19.833 7.523 2.097 1.00 52.22 N ATOM 665 CA ILE A 40 20.582 7.269 0.873 1.00 61.23 C ATOM 666 C ILE A 40 21.381 8.498 0.452 1.00 73.35 C ATOM 667 O ILE A 40 22.561 8.400 0.116 1.00 24.13 O ATOM 668 CB ILE A 40 19.650 6.855 -0.282 1.00 4.41 C ATOM 669 CG1 ILE A 40 18.877 5.588 0.087 1.00 63.55 C ATOM 670 CG2 ILE A 40 20.451 6.642 -1.558 1.00 11.20 C ATOM 671 CD1 ILE A 40 17.578 5.430 -0.672 1.00 64.25 C ATOM 0 H ILE A 40 18.822 7.426 2.001 1.00 52.22 H new ATOM 0 HA ILE A 40 21.268 6.449 1.087 1.00 61.23 H new ATOM 0 HB ILE A 40 18.933 7.657 -0.457 1.00 4.41 H new ATOM 0 HG12 ILE A 40 19.507 4.719 -0.103 1.00 63.55 H new ATOM 0 HG13 ILE A 40 18.665 5.600 1.156 1.00 63.55 H new ATOM 0 HG21 ILE A 40 19.779 6.350 -2.365 1.00 11.20 H new ATOM 0 HG22 ILE A 40 20.960 7.568 -1.827 1.00 11.20 H new ATOM 0 HG23 ILE A 40 21.189 5.856 -1.398 1.00 11.20 H new ATOM 0 HD11 ILE A 40 17.084 4.510 -0.360 1.00 64.25 H new ATOM 0 HD12 ILE A 40 16.929 6.280 -0.463 1.00 64.25 H new ATOM 0 HD13 ILE A 40 17.784 5.386 -1.741 1.00 64.25 H new ATOM 683 N LYS A 41 20.729 9.656 0.473 1.00 63.54 N ATOM 684 CA LYS A 41 21.378 10.906 0.096 1.00 20.13 C ATOM 685 C LYS A 41 22.678 11.099 0.871 1.00 51.13 C ATOM 686 O LYS A 41 23.634 11.685 0.363 1.00 1.41 O ATOM 687 CB LYS A 41 20.440 12.088 0.351 1.00 71.12 C ATOM 688 CG LYS A 41 20.359 13.062 -0.812 1.00 24.10 C ATOM 689 CD LYS A 41 19.624 14.334 -0.424 1.00 74.52 C ATOM 690 CE LYS A 41 19.089 15.063 -1.647 1.00 71.01 C ATOM 691 NZ LYS A 41 18.103 14.237 -2.399 1.00 4.34 N ATOM 0 H LYS A 41 19.751 9.754 0.747 1.00 63.54 H new ATOM 0 HA LYS A 41 21.613 10.859 -0.967 1.00 20.13 H new ATOM 0 HB2 LYS A 41 19.441 11.708 0.566 1.00 71.12 H new ATOM 0 HB3 LYS A 41 20.776 12.623 1.239 1.00 71.12 H new ATOM 0 HG2 LYS A 41 21.365 13.311 -1.150 1.00 24.10 H new ATOM 0 HG3 LYS A 41 19.849 12.587 -1.650 1.00 24.10 H new ATOM 0 HD2 LYS A 41 18.799 14.089 0.245 1.00 74.52 H new ATOM 0 HD3 LYS A 41 20.297 14.991 0.127 1.00 74.52 H new ATOM 0 HE2 LYS A 41 18.619 15.996 -1.337 1.00 71.01 H new ATOM 0 HE3 LYS A 41 19.918 15.327 -2.304 1.00 71.01 H new ATOM 0 HZ1 LYS A 41 17.466 14.860 -2.935 1.00 4.34 H new ATOM 0 HZ2 LYS A 41 18.607 13.608 -3.057 1.00 4.34 H new ATOM 0 HZ3 LYS A 41 17.547 13.666 -1.731 1.00 4.34 H new ATOM 705 N LYS A 42 22.707 10.601 2.102 1.00 10.23 N ATOM 706 CA LYS A 42 23.890 10.716 2.947 1.00 41.03 C ATOM 707 C LYS A 42 24.971 9.734 2.506 1.00 52.25 C ATOM 708 O LYS A 42 26.139 10.100 2.371 1.00 11.41 O ATOM 709 CB LYS A 42 23.523 10.463 4.411 1.00 44.21 C ATOM 710 CG LYS A 42 24.634 10.814 5.385 1.00 3.34 C ATOM 711 CD LYS A 42 24.664 12.304 5.684 1.00 33.24 C ATOM 712 CE LYS A 42 25.938 12.701 6.415 1.00 74.43 C ATOM 713 NZ LYS A 42 26.043 14.176 6.583 1.00 5.43 N ATOM 0 H LYS A 42 21.924 10.113 2.537 1.00 10.23 H new ATOM 0 HA LYS A 42 24.281 11.729 2.846 1.00 41.03 H new ATOM 0 HB2 LYS A 42 22.635 11.045 4.660 1.00 44.21 H new ATOM 0 HB3 LYS A 42 23.261 9.412 4.535 1.00 44.21 H new ATOM 0 HG2 LYS A 42 24.495 10.259 6.313 1.00 3.34 H new ATOM 0 HG3 LYS A 42 25.594 10.506 4.970 1.00 3.34 H new ATOM 0 HD2 LYS A 42 24.588 12.865 4.752 1.00 33.24 H new ATOM 0 HD3 LYS A 42 23.798 12.572 6.289 1.00 33.24 H new ATOM 0 HE2 LYS A 42 25.960 12.221 7.394 1.00 74.43 H new ATOM 0 HE3 LYS A 42 26.803 12.336 5.862 1.00 74.43 H new ATOM 0 HZ1 LYS A 42 26.924 14.406 7.085 1.00 5.43 H new ATOM 0 HZ2 LYS A 42 26.048 14.632 5.648 1.00 5.43 H new ATOM 0 HZ3 LYS A 42 25.231 14.521 7.133 1.00 5.43 H new ATOM 727 N HIS A 43 24.574 8.486 2.280 1.00 34.22 N ATOM 728 CA HIS A 43 25.509 7.452 1.852 1.00 73.43 C ATOM 729 C HIS A 43 26.214 7.858 0.561 1.00 33.40 C ATOM 730 O HIS A 43 27.434 8.020 0.534 1.00 61.21 O ATOM 731 CB HIS A 43 24.777 6.124 1.651 1.00 10.21 C ATOM 732 CG HIS A 43 24.853 5.213 2.837 1.00 1.03 C ATOM 733 ND1 HIS A 43 25.524 4.009 2.819 1.00 23.34 N ATOM 734 CD2 HIS A 43 24.339 5.337 4.083 1.00 34.22 C ATOM 735 CE1 HIS A 43 25.418 3.430 4.002 1.00 11.24 C ATOM 736 NE2 HIS A 43 24.703 4.216 4.788 1.00 65.03 N ATOM 0 H HIS A 43 23.611 8.166 2.386 1.00 34.22 H new ATOM 0 HA HIS A 43 26.260 7.330 2.633 1.00 73.43 H new ATOM 0 HB2 HIS A 43 23.730 6.326 1.425 1.00 10.21 H new ATOM 0 HB3 HIS A 43 25.198 5.614 0.784 1.00 10.21 H new ATOM 0 HD2 HIS A 43 23.752 6.164 4.454 1.00 34.22 H new ATOM 0 HE1 HIS A 43 25.843 2.477 4.279 1.00 11.24 H new ATOM 0 HE2 HIS A 43 24.461 4.022 5.760 1.00 65.03 H new ATOM 744 N ILE A 44 25.438 8.019 -0.506 1.00 30.04 N ATOM 745 CA ILE A 44 25.989 8.406 -1.798 1.00 54.05 C ATOM 746 C ILE A 44 26.863 9.649 -1.674 1.00 12.22 C ATOM 747 O ILE A 44 28.011 9.661 -2.117 1.00 61.13 O ATOM 748 CB ILE A 44 24.874 8.677 -2.827 1.00 24.33 C ATOM 749 CG1 ILE A 44 24.059 9.904 -2.416 1.00 14.21 C ATOM 750 CG2 ILE A 44 23.974 7.458 -2.965 1.00 63.05 C ATOM 751 CD1 ILE A 44 22.964 10.259 -3.398 1.00 64.13 C ATOM 0 H ILE A 44 24.427 7.887 -0.501 1.00 30.04 H new ATOM 0 HA ILE A 44 26.597 7.570 -2.144 1.00 54.05 H new ATOM 0 HB ILE A 44 25.333 8.877 -3.795 1.00 24.33 H new ATOM 0 HG12 ILE A 44 23.614 9.723 -1.438 1.00 14.21 H new ATOM 0 HG13 ILE A 44 24.730 10.756 -2.309 1.00 14.21 H new ATOM 0 HG21 ILE A 44 23.191 7.664 -3.695 1.00 63.05 H new ATOM 0 HG22 ILE A 44 24.565 6.605 -3.298 1.00 63.05 H new ATOM 0 HG23 ILE A 44 23.520 7.230 -2.001 1.00 63.05 H new ATOM 0 HD11 ILE A 44 22.427 11.139 -3.042 1.00 64.13 H new ATOM 0 HD12 ILE A 44 23.404 10.472 -4.372 1.00 64.13 H new ATOM 0 HD13 ILE A 44 22.271 9.423 -3.488 1.00 64.13 H new TER 763 ILE A 44