USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 409 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 THR OG1 : rot 20:sc= 0.205 USER MOD Set 1.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 TYR OH : rot 15:sc= -1.37 USER MOD Single : A 4 LYS NZ :NH3+ 163:sc= -1.12 (180deg=-2.05) USER MOD Single : A 8 ASN : amide:sc= -0.4 K(o=-0.4,f=-2.8!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00192 USER MOD Single : A 13 LYS NZ :NH3+ 174:sc= -3.57! (180deg=-4.03!) USER MOD Single : A 17 THR OG1 : rot 28:sc= 0.0426 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 72:sc= -1.02 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= -0.102 (180deg=-0.102) USER MOD Single : A 32 GLN : amide:sc= -1.74! K(o=-1.7!,f=-0.038) USER MOD Single : A 35 ASN : amide:sc= -0.0511 X(o=-0.051,f=0) USER MOD Single : A 37 ASN : amide:sc= -3.12! C(o=-3.1!,f=-4.5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0382 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.289 USER MOD Single : A 49 THR OG1 : rot -119:sc= -1.12! USER MOD Single : A 50 LYS NZ :NH3+ -175:sc= 0.381 (180deg=0.37) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -3.41! USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.669 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -0.203 27.493 22.555 1.00 1.00 N ATOM 21 CA GLN A 2 -0.749 26.561 21.563 1.00 1.00 C ATOM 22 C GLN A 2 0.316 25.911 20.677 1.00 1.00 C ATOM 23 O GLN A 2 1.163 26.579 20.083 1.00 1.00 O ATOM 24 CB GLN A 2 -1.743 27.314 20.683 1.00 1.00 C ATOM 25 CG GLN A 2 -2.610 26.315 19.922 1.00 1.00 C ATOM 26 CD GLN A 2 -3.659 27.061 19.099 1.00 1.00 C ATOM 27 OE1 GLN A 2 -3.312 27.810 18.186 1.00 1.00 O ATOM 28 NE2 GLN A 2 -4.929 26.907 19.376 1.00 1.00 N ATOM 0 HA GLN A 2 -1.228 25.752 22.114 1.00 1.00 H new ATOM 0 HB2 GLN A 2 -2.369 27.962 21.296 1.00 1.00 H new ATOM 0 HB3 GLN A 2 -1.210 27.957 19.982 1.00 1.00 H new ATOM 0 HG2 GLN A 2 -1.988 25.704 19.268 1.00 1.00 H new ATOM 0 HG3 GLN A 2 -3.098 25.637 20.622 1.00 1.00 H new ATOM 0 HE21 GLN A 2 -5.214 26.286 20.133 1.00 1.00 H new ATOM 0 HE22 GLN A 2 -5.633 27.408 18.835 1.00 1.00 H new ATOM 37 N TYR A 3 0.217 24.579 20.585 1.00 1.00 N ATOM 38 CA TYR A 3 1.114 23.767 19.759 1.00 1.00 C ATOM 39 C TYR A 3 0.318 23.063 18.685 1.00 1.00 C ATOM 40 O TYR A 3 -0.895 22.888 18.821 1.00 1.00 O ATOM 41 CB TYR A 3 1.818 22.716 20.608 1.00 1.00 C ATOM 42 CG TYR A 3 2.318 23.364 21.849 1.00 1.00 C ATOM 43 CD1 TYR A 3 1.426 23.596 22.891 1.00 1.00 C ATOM 44 CD2 TYR A 3 3.656 23.745 21.957 1.00 1.00 C ATOM 45 CE1 TYR A 3 1.872 24.209 24.053 1.00 1.00 C ATOM 46 CE2 TYR A 3 4.102 24.360 23.121 1.00 1.00 C ATOM 47 CZ TYR A 3 3.205 24.591 24.166 1.00 1.00 C ATOM 48 OH TYR A 3 3.636 25.209 25.314 1.00 1.00 O ATOM 0 H TYR A 3 -0.488 24.035 21.082 1.00 1.00 H new ATOM 0 HA TYR A 3 1.856 24.426 19.309 1.00 1.00 H new ATOM 0 HB2 TYR A 3 1.131 21.907 20.855 1.00 1.00 H new ATOM 0 HB3 TYR A 3 2.645 22.274 20.053 1.00 1.00 H new ATOM 0 HD1 TYR A 3 0.392 23.300 22.796 1.00 1.00 H new ATOM 0 HD2 TYR A 3 4.340 23.563 21.142 1.00 1.00 H new ATOM 0 HE1 TYR A 3 1.186 24.389 24.868 1.00 1.00 H new ATOM 0 HE2 TYR A 3 5.136 24.657 23.217 1.00 1.00 H new ATOM 0 HH TYR A 3 2.967 25.090 26.021 1.00 1.00 H new ATOM 58 N LYS A 4 0.991 22.640 17.617 1.00 1.00 N ATOM 59 CA LYS A 4 0.314 21.936 16.521 1.00 1.00 C ATOM 60 C LYS A 4 1.095 20.676 16.157 1.00 1.00 C ATOM 61 O LYS A 4 2.320 20.647 16.220 1.00 1.00 O ATOM 62 CB LYS A 4 0.205 22.876 15.308 1.00 1.00 C ATOM 63 CG LYS A 4 -0.591 22.217 14.175 1.00 1.00 C ATOM 64 CD LYS A 4 -0.713 23.200 12.999 1.00 1.00 C ATOM 65 CE LYS A 4 -1.477 22.532 11.856 1.00 1.00 C ATOM 66 NZ LYS A 4 -2.851 22.187 12.314 1.00 1.00 N ATOM 0 H LYS A 4 1.994 22.769 17.484 1.00 1.00 H new ATOM 0 HA LYS A 4 -0.688 21.641 16.832 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -0.280 23.806 15.606 1.00 1.00 H new ATOM 0 HB3 LYS A 4 1.202 23.136 14.954 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -0.094 21.303 13.850 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -1.582 21.932 14.529 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -1.232 24.104 13.319 1.00 1.00 H new ATOM 0 HD3 LYS A 4 0.278 23.504 12.660 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -1.526 23.201 10.997 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -0.954 21.633 11.531 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -3.457 22.005 11.488 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -2.815 21.336 12.911 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -3.243 22.978 12.863 1.00 1.00 H new ATOM 80 N LEU A 5 0.367 19.625 15.793 1.00 1.00 N ATOM 81 CA LEU A 5 0.978 18.347 15.433 1.00 1.00 C ATOM 82 C LEU A 5 0.758 18.060 13.954 1.00 1.00 C ATOM 83 O LEU A 5 -0.377 18.081 13.480 1.00 1.00 O ATOM 84 CB LEU A 5 0.300 17.218 16.241 1.00 1.00 C ATOM 85 CG LEU A 5 1.278 16.107 16.742 1.00 1.00 C ATOM 86 CD1 LEU A 5 0.462 14.815 16.993 1.00 1.00 C ATOM 87 CD2 LEU A 5 2.407 15.796 15.724 1.00 1.00 C ATOM 0 H LEU A 5 -0.652 19.632 15.739 1.00 1.00 H new ATOM 0 HA LEU A 5 2.045 18.395 15.648 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -0.204 17.656 17.102 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -0.469 16.756 15.622 1.00 1.00 H new ATOM 0 HG LEU A 5 1.754 16.469 17.653 1.00 1.00 H new ATOM 0 HD11 LEU A 5 1.128 14.027 17.344 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -0.301 15.007 17.747 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -0.016 14.500 16.065 1.00 1.00 H new ATOM 0 HD21 LEU A 5 3.055 15.017 16.126 1.00 1.00 H new ATOM 0 HD22 LEU A 5 1.968 15.455 14.787 1.00 1.00 H new ATOM 0 HD23 LEU A 5 2.992 16.698 15.543 1.00 1.00 H new ATOM 99 N ILE A 6 1.823 17.713 13.252 1.00 1.00 N ATOM 100 CA ILE A 6 1.685 17.323 11.843 1.00 1.00 C ATOM 101 C ILE A 6 1.957 15.846 11.759 1.00 1.00 C ATOM 102 O ILE A 6 3.050 15.404 12.084 1.00 1.00 O ATOM 103 CB ILE A 6 2.717 18.031 10.976 1.00 1.00 C ATOM 104 CG1 ILE A 6 2.627 19.532 11.200 1.00 1.00 C ATOM 105 CG2 ILE A 6 2.460 17.696 9.503 1.00 1.00 C ATOM 106 CD1 ILE A 6 1.192 20.023 11.008 1.00 1.00 C ATOM 0 H ILE A 6 2.776 17.690 13.616 1.00 1.00 H new ATOM 0 HA ILE A 6 0.687 17.586 11.493 1.00 1.00 H new ATOM 0 HB ILE A 6 3.718 17.695 11.246 1.00 1.00 H new ATOM 0 HG12 ILE A 6 2.968 19.775 12.206 1.00 1.00 H new ATOM 0 HG13 ILE A 6 3.289 20.049 10.505 1.00 1.00 H new ATOM 0 HG21 ILE A 6 3.198 18.202 8.881 1.00 1.00 H new ATOM 0 HG22 ILE A 6 2.539 16.619 9.356 1.00 1.00 H new ATOM 0 HG23 ILE A 6 1.460 18.028 9.223 1.00 1.00 H new ATOM 0 HD11 ILE A 6 1.151 21.100 11.173 1.00 1.00 H new ATOM 0 HD12 ILE A 6 0.863 19.799 9.993 1.00 1.00 H new ATOM 0 HD13 ILE A 6 0.537 19.521 11.721 1.00 1.00 H new ATOM 118 N LEU A 7 0.979 15.063 11.322 1.00 1.00 N ATOM 119 CA LEU A 7 1.193 13.625 11.228 1.00 1.00 C ATOM 120 C LEU A 7 1.230 13.186 9.778 1.00 1.00 C ATOM 121 O LEU A 7 0.269 13.371 9.022 1.00 1.00 O ATOM 122 CB LEU A 7 0.135 12.774 12.021 1.00 1.00 C ATOM 123 CG LEU A 7 -1.021 13.599 12.614 1.00 1.00 C ATOM 124 CD1 LEU A 7 -0.526 14.824 13.412 1.00 1.00 C ATOM 125 CD2 LEU A 7 -1.983 14.012 11.496 1.00 1.00 C ATOM 0 H LEU A 7 0.055 15.387 11.035 1.00 1.00 H new ATOM 0 HA LEU A 7 2.158 13.436 11.699 1.00 1.00 H new ATOM 0 HB2 LEU A 7 -0.278 12.016 11.355 1.00 1.00 H new ATOM 0 HB3 LEU A 7 0.642 12.246 12.829 1.00 1.00 H new ATOM 0 HG LEU A 7 -1.551 12.969 13.329 1.00 1.00 H new ATOM 0 HD11 LEU A 7 -1.382 15.370 13.808 1.00 1.00 H new ATOM 0 HD12 LEU A 7 0.105 14.491 14.236 1.00 1.00 H new ATOM 0 HD13 LEU A 7 0.049 15.477 12.756 1.00 1.00 H new ATOM 0 HD21 LEU A 7 -2.801 14.596 11.917 1.00 1.00 H new ATOM 0 HD22 LEU A 7 -1.449 14.613 10.760 1.00 1.00 H new ATOM 0 HD23 LEU A 7 -2.384 13.121 11.014 1.00 1.00 H new ATOM 137 N ASN A 8 2.330 12.544 9.427 1.00 1.00 N ATOM 138 CA ASN A 8 2.519 11.986 8.100 1.00 1.00 C ATOM 139 C ASN A 8 2.622 10.477 8.258 1.00 1.00 C ATOM 140 O ASN A 8 3.663 9.871 7.990 1.00 1.00 O ATOM 141 CB ASN A 8 3.796 12.537 7.475 1.00 1.00 C ATOM 142 CG ASN A 8 3.938 12.041 6.039 1.00 1.00 C ATOM 143 OD1 ASN A 8 3.096 11.287 5.554 1.00 1.00 O ATOM 144 ND2 ASN A 8 4.969 12.416 5.332 1.00 1.00 N ATOM 0 H ASN A 8 3.119 12.395 10.056 1.00 1.00 H new ATOM 0 HA ASN A 8 1.687 12.251 7.447 1.00 1.00 H new ATOM 0 HB2 ASN A 8 3.776 13.627 7.490 1.00 1.00 H new ATOM 0 HB3 ASN A 8 4.660 12.226 8.062 1.00 1.00 H new ATOM 0 HD21 ASN A 8 5.078 12.084 4.374 1.00 1.00 H new ATOM 0 HD22 ASN A 8 5.665 13.041 5.738 1.00 1.00 H new ATOM 151 N GLY A 9 1.542 9.873 8.740 1.00 1.00 N ATOM 152 CA GLY A 9 1.525 8.437 8.971 1.00 1.00 C ATOM 153 C GLY A 9 1.081 7.677 7.746 1.00 1.00 C ATOM 154 O GLY A 9 0.337 8.190 6.911 1.00 1.00 O ATOM 0 H GLY A 9 0.673 10.353 8.976 1.00 1.00 H new ATOM 0 HA2 GLY A 9 2.521 8.104 9.264 1.00 1.00 H new ATOM 0 HA3 GLY A 9 0.856 8.210 9.801 1.00 1.00 H new ATOM 158 N LYS A 10 1.562 6.447 7.644 1.00 1.00 N ATOM 159 CA LYS A 10 1.218 5.623 6.494 1.00 1.00 C ATOM 160 C LYS A 10 -0.249 5.220 6.580 1.00 1.00 C ATOM 161 O LYS A 10 -0.899 4.975 5.565 1.00 1.00 O ATOM 162 CB LYS A 10 2.118 4.383 6.437 1.00 1.00 C ATOM 163 CG LYS A 10 2.042 3.624 7.762 1.00 1.00 C ATOM 164 CD LYS A 10 3.034 2.463 7.748 1.00 1.00 C ATOM 165 CE LYS A 10 2.975 1.735 9.090 1.00 1.00 C ATOM 166 NZ LYS A 10 3.956 0.612 9.092 1.00 1.00 N ATOM 0 H LYS A 10 2.178 6.005 8.326 1.00 1.00 H new ATOM 0 HA LYS A 10 1.376 6.196 5.580 1.00 1.00 H new ATOM 0 HB2 LYS A 10 1.807 3.734 5.618 1.00 1.00 H new ATOM 0 HB3 LYS A 10 3.148 4.679 6.236 1.00 1.00 H new ATOM 0 HG2 LYS A 10 2.266 4.296 8.590 1.00 1.00 H new ATOM 0 HG3 LYS A 10 1.031 3.249 7.920 1.00 1.00 H new ATOM 0 HD2 LYS A 10 2.795 1.775 6.937 1.00 1.00 H new ATOM 0 HD3 LYS A 10 4.043 2.833 7.566 1.00 1.00 H new ATOM 0 HE2 LYS A 10 3.198 2.428 9.901 1.00 1.00 H new ATOM 0 HE3 LYS A 10 1.969 1.353 9.264 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 3.915 0.117 10.006 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 3.724 -0.053 8.327 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 4.914 0.988 8.944 1.00 1.00 H new ATOM 180 N THR A 11 -0.770 5.186 7.806 1.00 1.00 N ATOM 181 CA THR A 11 -2.174 4.850 8.041 1.00 1.00 C ATOM 182 C THR A 11 -2.931 6.070 8.569 1.00 1.00 C ATOM 183 O THR A 11 -4.159 6.125 8.498 1.00 1.00 O ATOM 184 CB THR A 11 -2.268 3.705 9.061 1.00 1.00 C ATOM 185 OG1 THR A 11 -1.346 3.934 10.116 1.00 1.00 O ATOM 186 CG2 THR A 11 -1.946 2.371 8.378 1.00 1.00 C ATOM 0 H THR A 11 -0.240 5.387 8.654 1.00 1.00 H new ATOM 0 HA THR A 11 -2.623 4.537 7.098 1.00 1.00 H new ATOM 0 HB THR A 11 -3.280 3.665 9.464 1.00 1.00 H new ATOM 0 HG1 THR A 11 -1.407 3.205 10.768 1.00 1.00 H new ATOM 0 HG21 THR A 11 -2.014 1.563 9.107 1.00 1.00 H new ATOM 0 HG22 THR A 11 -2.658 2.194 7.572 1.00 1.00 H new ATOM 0 HG23 THR A 11 -0.936 2.406 7.969 1.00 1.00 H new ATOM 194 N LEU A 12 -2.191 7.038 9.125 1.00 1.00 N ATOM 195 CA LEU A 12 -2.802 8.234 9.692 1.00 1.00 C ATOM 196 C LEU A 12 -2.121 9.507 9.188 1.00 1.00 C ATOM 197 O LEU A 12 -0.921 9.701 9.380 1.00 1.00 O ATOM 198 CB LEU A 12 -2.704 8.122 11.215 1.00 1.00 C ATOM 199 CG LEU A 12 -3.484 9.260 11.908 1.00 1.00 C ATOM 200 CD1 LEU A 12 -4.012 8.770 13.260 1.00 1.00 C ATOM 201 CD2 LEU A 12 -2.566 10.465 12.144 1.00 1.00 C ATOM 0 H LEU A 12 -1.174 7.011 9.191 1.00 1.00 H new ATOM 0 HA LEU A 12 -3.845 8.303 9.381 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -3.098 7.158 11.538 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -1.658 8.157 11.519 1.00 1.00 H new ATOM 0 HG LEU A 12 -4.314 9.556 11.266 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -4.563 9.574 13.749 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -4.675 7.919 13.105 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -3.175 8.468 13.890 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -3.128 11.260 12.633 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -1.731 10.168 12.779 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -2.185 10.825 11.188 1.00 1.00 H new ATOM 213 N LYS A 13 -2.909 10.383 8.552 1.00 1.00 N ATOM 214 CA LYS A 13 -2.402 11.655 8.031 1.00 1.00 C ATOM 215 C LYS A 13 -3.343 12.815 8.363 1.00 1.00 C ATOM 216 O LYS A 13 -4.550 12.625 8.513 1.00 1.00 O ATOM 217 CB LYS A 13 -2.248 11.535 6.500 1.00 1.00 C ATOM 218 CG LYS A 13 -0.771 11.383 6.134 1.00 1.00 C ATOM 219 CD LYS A 13 -0.628 10.995 4.653 1.00 1.00 C ATOM 220 CE LYS A 13 -0.648 9.462 4.487 1.00 1.00 C ATOM 221 NZ LYS A 13 -1.533 8.839 5.514 1.00 1.00 N ATOM 0 H LYS A 13 -3.904 10.231 8.386 1.00 1.00 H new ATOM 0 HA LYS A 13 -1.440 11.865 8.499 1.00 1.00 H new ATOM 0 HB2 LYS A 13 -2.812 10.676 6.136 1.00 1.00 H new ATOM 0 HB3 LYS A 13 -2.663 12.418 6.014 1.00 1.00 H new ATOM 0 HG2 LYS A 13 -0.243 12.317 6.325 1.00 1.00 H new ATOM 0 HG3 LYS A 13 -0.309 10.622 6.763 1.00 1.00 H new ATOM 0 HD2 LYS A 13 -1.439 11.439 4.076 1.00 1.00 H new ATOM 0 HD3 LYS A 13 0.304 11.397 4.255 1.00 1.00 H new ATOM 0 HE2 LYS A 13 -1.000 9.203 3.489 1.00 1.00 H new ATOM 0 HE3 LYS A 13 0.363 9.066 4.581 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 -1.617 7.819 5.327 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 -1.125 8.986 6.459 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 -2.475 9.277 5.472 1.00 1.00 H new ATOM 235 N GLY A 14 -2.787 14.028 8.442 1.00 1.00 N ATOM 236 CA GLY A 14 -3.605 15.214 8.713 1.00 1.00 C ATOM 237 C GLY A 14 -2.911 16.204 9.641 1.00 1.00 C ATOM 238 O GLY A 14 -1.687 16.347 9.619 1.00 1.00 O ATOM 0 H GLY A 14 -1.791 14.213 8.324 1.00 1.00 H new ATOM 0 HA2 GLY A 14 -3.843 15.709 7.772 1.00 1.00 H new ATOM 0 HA3 GLY A 14 -4.550 14.905 9.159 1.00 1.00 H new ATOM 242 N GLU A 15 -3.722 16.901 10.460 1.00 1.00 N ATOM 243 CA GLU A 15 -3.204 17.900 11.393 1.00 1.00 C ATOM 244 C GLU A 15 -3.978 17.834 12.712 1.00 1.00 C ATOM 245 O GLU A 15 -5.137 17.418 12.743 1.00 1.00 O ATOM 246 CB GLU A 15 -3.393 19.331 10.825 1.00 1.00 C ATOM 247 CG GLU A 15 -3.114 19.399 9.316 1.00 1.00 C ATOM 248 CD GLU A 15 -1.619 19.464 9.046 1.00 1.00 C ATOM 249 OE1 GLU A 15 -1.057 20.530 9.238 1.00 1.00 O ATOM 250 OE2 GLU A 15 -1.065 18.462 8.627 1.00 1.00 O ATOM 0 H GLU A 15 -4.735 16.786 10.489 1.00 1.00 H new ATOM 0 HA GLU A 15 -2.146 17.689 11.547 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -4.412 19.665 11.020 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -2.727 20.018 11.347 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -3.539 18.525 8.823 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -3.604 20.275 8.890 1.00 1.00 H new ATOM 257 N THR A 16 -3.331 18.254 13.796 1.00 1.00 N ATOM 258 CA THR A 16 -3.963 18.254 15.121 1.00 1.00 C ATOM 259 C THR A 16 -3.435 19.434 15.950 1.00 1.00 C ATOM 260 O THR A 16 -2.281 19.836 15.796 1.00 1.00 O ATOM 261 CB THR A 16 -3.691 16.909 15.822 1.00 1.00 C ATOM 262 OG1 THR A 16 -4.655 15.962 15.387 1.00 1.00 O ATOM 263 CG2 THR A 16 -3.783 17.054 17.345 1.00 1.00 C ATOM 0 H THR A 16 -2.371 18.599 13.788 1.00 1.00 H new ATOM 0 HA THR A 16 -5.041 18.373 15.016 1.00 1.00 H new ATOM 0 HB THR A 16 -2.684 16.579 15.566 1.00 1.00 H new ATOM 0 HG1 THR A 16 -5.048 16.261 14.540 1.00 1.00 H new ATOM 0 HG21 THR A 16 -3.587 16.090 17.815 1.00 1.00 H new ATOM 0 HG22 THR A 16 -3.046 17.781 17.686 1.00 1.00 H new ATOM 0 HG23 THR A 16 -4.782 17.394 17.618 1.00 1.00 H new ATOM 271 N THR A 17 -4.279 19.988 16.831 1.00 1.00 N ATOM 272 CA THR A 17 -3.866 21.126 17.673 1.00 1.00 C ATOM 273 C THR A 17 -4.253 20.922 19.138 1.00 1.00 C ATOM 274 O THR A 17 -5.342 20.436 19.443 1.00 1.00 O ATOM 275 CB THR A 17 -4.498 22.419 17.152 1.00 1.00 C ATOM 276 OG1 THR A 17 -3.950 23.529 17.852 1.00 1.00 O ATOM 277 CG2 THR A 17 -6.014 22.381 17.373 1.00 1.00 C ATOM 0 H THR A 17 -5.238 19.675 16.980 1.00 1.00 H new ATOM 0 HA THR A 17 -2.780 21.195 17.619 1.00 1.00 H new ATOM 0 HB THR A 17 -4.290 22.516 16.087 1.00 1.00 H new ATOM 0 HG1 THR A 17 -3.042 23.312 18.149 1.00 1.00 H new ATOM 0 HG21 THR A 17 -6.459 23.304 17.001 1.00 1.00 H new ATOM 0 HG22 THR A 17 -6.438 21.531 16.838 1.00 1.00 H new ATOM 0 HG23 THR A 17 -6.224 22.281 18.438 1.00 1.00 H new ATOM 285 N THR A 18 -3.349 21.316 20.040 1.00 1.00 N ATOM 286 CA THR A 18 -3.584 21.195 21.477 1.00 1.00 C ATOM 287 C THR A 18 -2.878 22.319 22.224 1.00 1.00 C ATOM 288 O THR A 18 -1.831 22.801 21.791 1.00 1.00 O ATOM 289 CB THR A 18 -3.080 19.844 21.994 1.00 1.00 C ATOM 290 OG1 THR A 18 -3.806 19.495 23.163 1.00 1.00 O ATOM 291 CG2 THR A 18 -1.585 19.919 22.333 1.00 1.00 C ATOM 0 H THR A 18 -2.446 21.722 19.797 1.00 1.00 H new ATOM 0 HA THR A 18 -4.658 21.264 21.652 1.00 1.00 H new ATOM 0 HB THR A 18 -3.227 19.092 21.218 1.00 1.00 H new ATOM 0 HG1 THR A 18 -3.490 18.630 23.499 1.00 1.00 H new ATOM 0 HG21 THR A 18 -1.246 18.950 22.699 1.00 1.00 H new ATOM 0 HG22 THR A 18 -1.022 20.187 21.439 1.00 1.00 H new ATOM 0 HG23 THR A 18 -1.424 20.674 23.103 1.00 1.00 H new ATOM 299 N GLU A 19 -3.438 22.720 23.358 1.00 1.00 N ATOM 300 CA GLU A 19 -2.831 23.770 24.159 1.00 1.00 C ATOM 301 C GLU A 19 -2.131 23.143 25.353 1.00 1.00 C ATOM 302 O GLU A 19 -2.645 22.217 25.981 1.00 1.00 O ATOM 303 CB GLU A 19 -3.898 24.777 24.609 1.00 1.00 C ATOM 304 CG GLU A 19 -3.251 26.149 24.814 1.00 1.00 C ATOM 305 CD GLU A 19 -4.314 27.169 25.213 1.00 1.00 C ATOM 306 OE1 GLU A 19 -5.435 26.763 25.461 1.00 1.00 O ATOM 307 OE2 GLU A 19 -3.986 28.344 25.261 1.00 1.00 O ATOM 0 H GLU A 19 -4.303 22.337 23.739 1.00 1.00 H new ATOM 0 HA GLU A 19 -2.095 24.310 23.563 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.688 24.844 23.861 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -4.363 24.440 25.535 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -2.485 26.088 25.587 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -2.755 26.467 23.897 1.00 1.00 H new ATOM 314 N ALA A 20 -0.936 23.638 25.638 1.00 1.00 N ATOM 315 CA ALA A 20 -0.126 23.115 26.732 1.00 1.00 C ATOM 316 C ALA A 20 0.577 24.243 27.476 1.00 1.00 C ATOM 317 O ALA A 20 0.701 25.362 26.975 1.00 1.00 O ATOM 318 CB ALA A 20 0.908 22.114 26.178 1.00 1.00 C ATOM 0 H ALA A 20 -0.502 24.405 25.125 1.00 1.00 H new ATOM 0 HA ALA A 20 -0.781 22.604 27.437 1.00 1.00 H new ATOM 0 HB1 ALA A 20 1.512 21.724 26.997 1.00 1.00 H new ATOM 0 HB2 ALA A 20 0.390 21.291 25.686 1.00 1.00 H new ATOM 0 HB3 ALA A 20 1.554 22.618 25.459 1.00 1.00 H new ATOM 324 N VAL A 21 1.056 23.923 28.664 1.00 1.00 N ATOM 325 CA VAL A 21 1.775 24.887 29.468 1.00 1.00 C ATOM 326 C VAL A 21 3.106 25.168 28.801 1.00 1.00 C ATOM 327 O VAL A 21 3.567 26.309 28.741 1.00 1.00 O ATOM 328 CB VAL A 21 2.016 24.333 30.871 1.00 1.00 C ATOM 329 CG1 VAL A 21 2.702 22.966 30.784 1.00 1.00 C ATOM 330 CG2 VAL A 21 2.919 25.292 31.648 1.00 1.00 C ATOM 0 H VAL A 21 0.959 23.002 29.091 1.00 1.00 H new ATOM 0 HA VAL A 21 1.190 25.803 29.552 1.00 1.00 H new ATOM 0 HB VAL A 21 1.058 24.227 31.379 1.00 1.00 H new ATOM 0 HG11 VAL A 21 2.870 22.579 31.789 1.00 1.00 H new ATOM 0 HG12 VAL A 21 2.067 22.275 30.230 1.00 1.00 H new ATOM 0 HG13 VAL A 21 3.658 23.071 30.271 1.00 1.00 H new ATOM 0 HG21 VAL A 21 3.092 24.898 32.649 1.00 1.00 H new ATOM 0 HG22 VAL A 21 3.872 25.395 31.129 1.00 1.00 H new ATOM 0 HG23 VAL A 21 2.438 26.267 31.720 1.00 1.00 H new ATOM 340 N ASP A 22 3.715 24.106 28.302 1.00 1.00 N ATOM 341 CA ASP A 22 5.001 24.207 27.627 1.00 1.00 C ATOM 342 C ASP A 22 5.162 23.051 26.640 1.00 1.00 C ATOM 343 O ASP A 22 4.254 22.239 26.465 1.00 1.00 O ATOM 344 CB ASP A 22 6.129 24.146 28.663 1.00 1.00 C ATOM 345 CG ASP A 22 6.093 22.813 29.405 1.00 1.00 C ATOM 346 OD1 ASP A 22 5.350 21.941 28.987 1.00 1.00 O ATOM 347 OD2 ASP A 22 6.814 22.682 30.382 1.00 1.00 O ATOM 0 H ASP A 22 3.339 23.159 28.351 1.00 1.00 H new ATOM 0 HA ASP A 22 5.047 25.153 27.087 1.00 1.00 H new ATOM 0 HB2 ASP A 22 7.093 24.270 28.169 1.00 1.00 H new ATOM 0 HB3 ASP A 22 6.026 24.968 29.372 1.00 1.00 H new ATOM 352 N ALA A 23 6.337 22.968 26.019 1.00 1.00 N ATOM 353 CA ALA A 23 6.629 21.893 25.077 1.00 1.00 C ATOM 354 C ALA A 23 6.800 20.571 25.821 1.00 1.00 C ATOM 355 O ALA A 23 6.398 19.514 25.337 1.00 1.00 O ATOM 356 CB ALA A 23 7.898 22.225 24.290 1.00 1.00 C ATOM 0 H ALA A 23 7.100 23.632 26.152 1.00 1.00 H new ATOM 0 HA ALA A 23 5.795 21.794 24.382 1.00 1.00 H new ATOM 0 HB1 ALA A 23 8.112 21.419 23.588 1.00 1.00 H new ATOM 0 HB2 ALA A 23 7.753 23.156 23.741 1.00 1.00 H new ATOM 0 HB3 ALA A 23 8.735 22.337 24.979 1.00 1.00 H new ATOM 362 N ALA A 24 7.388 20.653 27.014 1.00 1.00 N ATOM 363 CA ALA A 24 7.608 19.472 27.847 1.00 1.00 C ATOM 364 C ALA A 24 6.294 18.728 28.039 1.00 1.00 C ATOM 365 O ALA A 24 6.265 17.506 28.181 1.00 1.00 O ATOM 366 CB ALA A 24 8.143 19.893 29.217 1.00 1.00 C ATOM 0 H ALA A 24 7.721 21.525 27.425 1.00 1.00 H new ATOM 0 HA ALA A 24 8.332 18.824 27.354 1.00 1.00 H new ATOM 0 HB1 ALA A 24 8.305 19.008 29.832 1.00 1.00 H new ATOM 0 HB2 ALA A 24 9.086 20.425 29.092 1.00 1.00 H new ATOM 0 HB3 ALA A 24 7.420 20.547 29.705 1.00 1.00 H new ATOM 372 N THR A 25 5.209 19.494 28.065 1.00 1.00 N ATOM 373 CA THR A 25 3.883 18.947 28.261 1.00 1.00 C ATOM 374 C THR A 25 3.266 18.532 26.928 1.00 1.00 C ATOM 375 O THR A 25 2.804 17.401 26.774 1.00 1.00 O ATOM 376 CB THR A 25 3.022 20.009 28.940 1.00 1.00 C ATOM 377 OG1 THR A 25 3.748 20.564 30.029 1.00 1.00 O ATOM 378 CG2 THR A 25 1.743 19.373 29.459 1.00 1.00 C ATOM 0 H THR A 25 5.230 20.507 27.951 1.00 1.00 H new ATOM 0 HA THR A 25 3.941 18.057 28.887 1.00 1.00 H new ATOM 0 HB THR A 25 2.770 20.791 28.224 1.00 1.00 H new ATOM 0 HG1 THR A 25 4.468 21.133 29.686 1.00 1.00 H new ATOM 0 HG21 THR A 25 1.130 20.133 29.943 1.00 1.00 H new ATOM 0 HG22 THR A 25 1.190 18.936 28.627 1.00 1.00 H new ATOM 0 HG23 THR A 25 1.991 18.593 30.179 1.00 1.00 H new ATOM 386 N ALA A 26 3.248 19.456 25.975 1.00 1.00 N ATOM 387 CA ALA A 26 2.667 19.175 24.667 1.00 1.00 C ATOM 388 C ALA A 26 3.308 17.946 24.016 1.00 1.00 C ATOM 389 O ALA A 26 2.636 17.195 23.310 1.00 1.00 O ATOM 390 CB ALA A 26 2.846 20.393 23.753 1.00 1.00 C ATOM 0 H ALA A 26 3.625 20.398 26.081 1.00 1.00 H new ATOM 0 HA ALA A 26 1.607 18.965 24.808 1.00 1.00 H new ATOM 0 HB1 ALA A 26 2.411 20.182 22.776 1.00 1.00 H new ATOM 0 HB2 ALA A 26 2.346 21.255 24.194 1.00 1.00 H new ATOM 0 HB3 ALA A 26 3.908 20.609 23.639 1.00 1.00 H new ATOM 396 N GLU A 27 4.611 17.754 24.236 1.00 1.00 N ATOM 397 CA GLU A 27 5.318 16.617 23.631 1.00 1.00 C ATOM 398 C GLU A 27 4.737 15.280 24.099 1.00 1.00 C ATOM 399 O GLU A 27 4.522 14.370 23.297 1.00 1.00 O ATOM 400 CB GLU A 27 6.841 16.680 23.921 1.00 1.00 C ATOM 401 CG GLU A 27 7.192 16.083 25.293 1.00 1.00 C ATOM 402 CD GLU A 27 8.675 16.285 25.598 1.00 1.00 C ATOM 403 OE1 GLU A 27 9.400 16.676 24.696 1.00 1.00 O ATOM 404 OE2 GLU A 27 9.068 16.030 26.725 1.00 1.00 O ATOM 0 H GLU A 27 5.192 18.358 24.818 1.00 1.00 H new ATOM 0 HA GLU A 27 5.174 16.687 22.553 1.00 1.00 H new ATOM 0 HB2 GLU A 27 7.381 16.141 23.142 1.00 1.00 H new ATOM 0 HB3 GLU A 27 7.175 17.717 23.881 1.00 1.00 H new ATOM 0 HG2 GLU A 27 6.587 16.555 26.067 1.00 1.00 H new ATOM 0 HG3 GLU A 27 6.953 15.020 25.306 1.00 1.00 H new ATOM 411 N LYS A 28 4.510 15.162 25.401 1.00 1.00 N ATOM 412 CA LYS A 28 3.982 13.925 25.959 1.00 1.00 C ATOM 413 C LYS A 28 2.527 13.746 25.554 1.00 1.00 C ATOM 414 O LYS A 28 2.046 12.625 25.395 1.00 1.00 O ATOM 415 CB LYS A 28 4.112 13.949 27.484 1.00 1.00 C ATOM 416 CG LYS A 28 5.578 13.708 27.874 1.00 1.00 C ATOM 417 CD LYS A 28 5.751 13.791 29.400 1.00 1.00 C ATOM 418 CE LYS A 28 5.940 15.255 29.834 1.00 1.00 C ATOM 419 NZ LYS A 28 5.958 15.341 31.337 1.00 1.00 N ATOM 0 H LYS A 28 4.681 15.900 26.084 1.00 1.00 H new ATOM 0 HA LYS A 28 4.555 13.084 25.569 1.00 1.00 H new ATOM 0 HB2 LYS A 28 3.773 14.909 27.874 1.00 1.00 H new ATOM 0 HB3 LYS A 28 3.476 13.183 27.927 1.00 1.00 H new ATOM 0 HG2 LYS A 28 5.899 12.729 27.519 1.00 1.00 H new ATOM 0 HG3 LYS A 28 6.216 14.447 27.389 1.00 1.00 H new ATOM 0 HD2 LYS A 28 4.878 13.367 29.896 1.00 1.00 H new ATOM 0 HD3 LYS A 28 6.612 13.198 29.709 1.00 1.00 H new ATOM 0 HE2 LYS A 28 6.872 15.648 29.427 1.00 1.00 H new ATOM 0 HE3 LYS A 28 5.133 15.870 29.435 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 6.086 16.332 31.627 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 5.058 14.983 31.716 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 6.742 14.768 31.708 1.00 1.00 H new ATOM 433 N VAL A 29 1.837 14.857 25.379 1.00 1.00 N ATOM 434 CA VAL A 29 0.438 14.829 24.993 1.00 1.00 C ATOM 435 C VAL A 29 0.295 14.365 23.548 1.00 1.00 C ATOM 436 O VAL A 29 -0.593 13.574 23.225 1.00 1.00 O ATOM 437 CB VAL A 29 -0.184 16.217 25.163 1.00 1.00 C ATOM 438 CG1 VAL A 29 -1.622 16.201 24.638 1.00 1.00 C ATOM 439 CG2 VAL A 29 -0.190 16.590 26.651 1.00 1.00 C ATOM 0 H VAL A 29 2.224 15.793 25.498 1.00 1.00 H new ATOM 0 HA VAL A 29 -0.087 14.125 25.639 1.00 1.00 H new ATOM 0 HB VAL A 29 0.399 16.949 24.603 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -2.065 17.190 24.759 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -1.621 15.931 23.582 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -2.206 15.471 25.198 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -0.632 17.578 26.777 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -0.775 15.857 27.207 1.00 1.00 H new ATOM 0 HG23 VAL A 29 0.833 16.600 27.028 1.00 1.00 H new ATOM 449 N PHE A 30 1.154 14.877 22.675 1.00 1.00 N ATOM 450 CA PHE A 30 1.089 14.517 21.265 1.00 1.00 C ATOM 451 C PHE A 30 1.457 13.059 21.035 1.00 1.00 C ATOM 452 O PHE A 30 0.834 12.384 20.217 1.00 1.00 O ATOM 453 CB PHE A 30 2.056 15.379 20.457 1.00 1.00 C ATOM 454 CG PHE A 30 1.519 16.783 20.277 1.00 1.00 C ATOM 455 CD1 PHE A 30 0.235 16.991 19.720 1.00 1.00 C ATOM 456 CD2 PHE A 30 2.308 17.887 20.621 1.00 1.00 C ATOM 457 CE1 PHE A 30 -0.241 18.286 19.530 1.00 1.00 C ATOM 458 CE2 PHE A 30 1.826 19.183 20.412 1.00 1.00 C ATOM 459 CZ PHE A 30 0.546 19.380 19.870 1.00 1.00 C ATOM 0 H PHE A 30 1.895 15.535 22.915 1.00 1.00 H new ATOM 0 HA PHE A 30 0.060 14.681 20.944 1.00 1.00 H new ATOM 0 HB2 PHE A 30 3.021 15.418 20.962 1.00 1.00 H new ATOM 0 HB3 PHE A 30 2.225 14.924 19.481 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -0.376 16.145 19.442 1.00 1.00 H new ATOM 0 HD2 PHE A 30 3.289 17.738 21.048 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -1.227 18.441 19.116 1.00 1.00 H new ATOM 0 HE2 PHE A 30 2.440 20.034 20.668 1.00 1.00 H new ATOM 0 HZ PHE A 30 0.173 20.382 19.717 1.00 1.00 H new ATOM 469 N LYS A 31 2.464 12.582 21.740 1.00 1.00 N ATOM 470 CA LYS A 31 2.875 11.204 21.576 1.00 1.00 C ATOM 471 C LYS A 31 1.748 10.304 22.046 1.00 1.00 C ATOM 472 O LYS A 31 1.503 9.257 21.461 1.00 1.00 O ATOM 473 CB LYS A 31 4.164 10.935 22.346 1.00 1.00 C ATOM 474 CG LYS A 31 5.302 11.721 21.684 1.00 1.00 C ATOM 475 CD LYS A 31 6.601 11.499 22.478 1.00 1.00 C ATOM 476 CE LYS A 31 7.770 12.287 21.852 1.00 1.00 C ATOM 477 NZ LYS A 31 7.840 13.652 22.465 1.00 1.00 N ATOM 0 H LYS A 31 3.004 13.118 22.420 1.00 1.00 H new ATOM 0 HA LYS A 31 3.081 10.997 20.526 1.00 1.00 H new ATOM 0 HB2 LYS A 31 4.052 11.236 23.388 1.00 1.00 H new ATOM 0 HB3 LYS A 31 4.390 9.869 22.345 1.00 1.00 H new ATOM 0 HG2 LYS A 31 5.433 11.395 20.652 1.00 1.00 H new ATOM 0 HG3 LYS A 31 5.057 12.783 21.654 1.00 1.00 H new ATOM 0 HD2 LYS A 31 6.458 11.813 23.512 1.00 1.00 H new ATOM 0 HD3 LYS A 31 6.843 10.436 22.498 1.00 1.00 H new ATOM 0 HE2 LYS A 31 8.708 11.756 22.014 1.00 1.00 H new ATOM 0 HE3 LYS A 31 7.631 12.368 20.774 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 8.628 14.182 22.042 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 6.949 14.158 22.289 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 7.992 13.565 23.490 1.00 1.00 H new ATOM 491 N GLN A 32 1.048 10.724 23.096 1.00 1.00 N ATOM 492 CA GLN A 32 -0.076 9.949 23.596 1.00 1.00 C ATOM 493 C GLN A 32 -1.137 9.823 22.514 1.00 1.00 C ATOM 494 O GLN A 32 -1.682 8.751 22.284 1.00 1.00 O ATOM 495 CB GLN A 32 -0.716 10.605 24.820 1.00 1.00 C ATOM 496 CG GLN A 32 -2.040 9.885 25.156 1.00 1.00 C ATOM 497 CD GLN A 32 -2.471 10.248 26.571 1.00 1.00 C ATOM 498 OE1 GLN A 32 -3.460 9.722 27.077 1.00 1.00 O ATOM 499 NE2 GLN A 32 -1.769 11.121 27.246 1.00 1.00 N ATOM 0 H GLN A 32 1.238 11.585 23.609 1.00 1.00 H new ATOM 0 HA GLN A 32 0.307 8.969 23.880 1.00 1.00 H new ATOM 0 HB2 GLN A 32 -0.036 10.554 25.670 1.00 1.00 H new ATOM 0 HB3 GLN A 32 -0.903 11.661 24.624 1.00 1.00 H new ATOM 0 HG2 GLN A 32 -2.813 10.173 24.444 1.00 1.00 H new ATOM 0 HG3 GLN A 32 -1.912 8.806 25.069 1.00 1.00 H new ATOM 0 HE21 GLN A 32 -0.949 11.554 26.821 1.00 1.00 H new ATOM 0 HE22 GLN A 32 -2.041 11.368 28.197 1.00 1.00 H new ATOM 508 N TYR A 33 -1.426 10.938 21.866 1.00 1.00 N ATOM 509 CA TYR A 33 -2.428 10.955 20.820 1.00 1.00 C ATOM 510 C TYR A 33 -2.013 9.959 19.749 1.00 1.00 C ATOM 511 O TYR A 33 -2.786 9.080 19.376 1.00 1.00 O ATOM 512 CB TYR A 33 -2.529 12.392 20.274 1.00 1.00 C ATOM 513 CG TYR A 33 -2.932 12.407 18.817 1.00 1.00 C ATOM 514 CD1 TYR A 33 -1.932 12.360 17.839 1.00 1.00 C ATOM 515 CD2 TYR A 33 -4.272 12.441 18.445 1.00 1.00 C ATOM 516 CE1 TYR A 33 -2.276 12.366 16.483 1.00 1.00 C ATOM 517 CE2 TYR A 33 -4.618 12.460 17.088 1.00 1.00 C ATOM 518 CZ TYR A 33 -3.618 12.422 16.106 1.00 1.00 C ATOM 519 OH TYR A 33 -3.966 12.402 14.770 1.00 1.00 O ATOM 0 H TYR A 33 -0.982 11.839 22.046 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.412 10.664 21.188 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -3.257 12.954 20.859 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -1.569 12.895 20.392 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -0.893 12.319 18.132 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.044 12.453 19.201 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -1.504 12.327 15.729 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -5.657 12.504 16.797 1.00 1.00 H new ATOM 0 HH TYR A 33 -4.941 12.447 14.685 1.00 1.00 H new ATOM 529 N ALA A 34 -0.773 10.065 19.320 1.00 1.00 N ATOM 530 CA ALA A 34 -0.239 9.138 18.344 1.00 1.00 C ATOM 531 C ALA A 34 -0.253 7.711 18.913 1.00 1.00 C ATOM 532 O ALA A 34 -0.560 6.753 18.204 1.00 1.00 O ATOM 533 CB ALA A 34 1.200 9.555 18.017 1.00 1.00 C ATOM 0 H ALA A 34 -0.117 10.782 19.631 1.00 1.00 H new ATOM 0 HA ALA A 34 -0.848 9.156 17.440 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.620 8.868 17.283 1.00 1.00 H new ATOM 0 HB2 ALA A 34 1.202 10.566 17.611 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.802 9.528 18.925 1.00 1.00 H new ATOM 539 N ASN A 35 0.143 7.571 20.181 1.00 1.00 N ATOM 540 CA ASN A 35 0.217 6.258 20.795 1.00 1.00 C ATOM 541 C ASN A 35 -1.179 5.684 20.911 1.00 1.00 C ATOM 542 O ASN A 35 -1.401 4.515 20.606 1.00 1.00 O ATOM 543 CB ASN A 35 0.851 6.345 22.182 1.00 1.00 C ATOM 544 CG ASN A 35 0.985 4.959 22.796 1.00 1.00 C ATOM 545 OD1 ASN A 35 0.538 4.736 23.923 1.00 1.00 O ATOM 546 ND2 ASN A 35 1.578 4.003 22.138 1.00 1.00 N ATOM 0 H ASN A 35 0.412 8.344 20.789 1.00 1.00 H new ATOM 0 HA ASN A 35 0.836 5.612 20.172 1.00 1.00 H new ATOM 0 HB2 ASN A 35 1.832 6.814 22.111 1.00 1.00 H new ATOM 0 HB3 ASN A 35 0.242 6.978 22.828 1.00 1.00 H new ATOM 0 HD21 ASN A 35 1.670 3.077 22.556 1.00 1.00 H new ATOM 0 HD22 ASN A 35 1.950 4.181 21.205 1.00 1.00 H new ATOM 553 N ASP A 36 -2.127 6.513 21.339 1.00 1.00 N ATOM 554 CA ASP A 36 -3.479 6.043 21.452 1.00 1.00 C ATOM 555 C ASP A 36 -4.016 5.803 20.054 1.00 1.00 C ATOM 556 O ASP A 36 -4.986 5.062 19.881 1.00 1.00 O ATOM 557 CB ASP A 36 -4.355 7.049 22.193 1.00 1.00 C ATOM 558 CG ASP A 36 -3.949 7.081 23.657 1.00 1.00 C ATOM 559 OD1 ASP A 36 -3.089 6.299 24.028 1.00 1.00 O ATOM 560 OD2 ASP A 36 -4.494 7.890 24.389 1.00 1.00 O ATOM 0 H ASP A 36 -1.978 7.487 21.604 1.00 1.00 H new ATOM 0 HA ASP A 36 -3.494 5.117 22.027 1.00 1.00 H new ATOM 0 HB2 ASP A 36 -4.246 8.039 21.751 1.00 1.00 H new ATOM 0 HB3 ASP A 36 -5.405 6.773 22.100 1.00 1.00 H new ATOM 565 N ASN A 37 -3.413 6.467 19.048 1.00 1.00 N ATOM 566 CA ASN A 37 -3.904 6.309 17.679 1.00 1.00 C ATOM 567 C ASN A 37 -3.041 5.317 16.900 1.00 1.00 C ATOM 568 O ASN A 37 -3.140 5.221 15.672 1.00 1.00 O ATOM 569 CB ASN A 37 -3.895 7.656 16.954 1.00 1.00 C ATOM 570 CG ASN A 37 -5.056 8.529 17.419 1.00 1.00 C ATOM 571 OD1 ASN A 37 -5.992 8.038 18.050 1.00 1.00 O ATOM 572 ND2 ASN A 37 -5.021 9.805 17.155 1.00 1.00 N ATOM 0 H ASN A 37 -2.615 7.094 19.156 1.00 1.00 H new ATOM 0 HA ASN A 37 -4.923 5.927 17.733 1.00 1.00 H new ATOM 0 HB2 ASN A 37 -2.951 8.168 17.141 1.00 1.00 H new ATOM 0 HB3 ASN A 37 -3.963 7.495 15.878 1.00 1.00 H new ATOM 0 HD21 ASN A 37 -5.776 10.412 17.472 1.00 1.00 H new ATOM 0 HD22 ASN A 37 -4.238 10.196 16.631 1.00 1.00 H new ATOM 579 N GLY A 38 -2.223 4.553 17.622 1.00 1.00 N ATOM 580 CA GLY A 38 -1.394 3.528 16.998 1.00 1.00 C ATOM 581 C GLY A 38 -0.382 4.092 16.006 1.00 1.00 C ATOM 582 O GLY A 38 0.024 3.377 15.088 1.00 1.00 O ATOM 0 H GLY A 38 -2.118 4.625 18.634 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -0.863 2.977 17.775 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -2.037 2.814 16.484 1.00 1.00 H new ATOM 586 N VAL A 39 0.067 5.338 16.167 1.00 1.00 N ATOM 587 CA VAL A 39 1.055 5.885 15.244 1.00 1.00 C ATOM 588 C VAL A 39 2.476 5.646 15.765 1.00 1.00 C ATOM 589 O VAL A 39 2.781 5.952 16.918 1.00 1.00 O ATOM 590 CB VAL A 39 0.816 7.382 15.087 1.00 1.00 C ATOM 591 CG1 VAL A 39 1.606 7.913 13.897 1.00 1.00 C ATOM 592 CG2 VAL A 39 -0.671 7.665 14.848 1.00 1.00 C ATOM 0 H VAL A 39 -0.230 5.972 16.909 1.00 1.00 H new ATOM 0 HA VAL A 39 0.952 5.385 14.281 1.00 1.00 H new ATOM 0 HB VAL A 39 1.140 7.875 16.003 1.00 1.00 H new ATOM 0 HG11 VAL A 39 1.430 8.983 13.792 1.00 1.00 H new ATOM 0 HG12 VAL A 39 2.669 7.734 14.057 1.00 1.00 H new ATOM 0 HG13 VAL A 39 1.285 7.401 12.990 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -0.824 8.739 14.738 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -0.997 7.157 13.940 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -1.252 7.301 15.696 1.00 1.00 H new ATOM 602 N ASP A 40 3.344 5.137 14.899 1.00 1.00 N ATOM 603 CA ASP A 40 4.739 4.896 15.250 1.00 1.00 C ATOM 604 C ASP A 40 5.624 5.401 14.123 1.00 1.00 C ATOM 605 O ASP A 40 5.635 4.804 13.043 1.00 1.00 O ATOM 606 CB ASP A 40 4.977 3.392 15.471 1.00 1.00 C ATOM 607 CG ASP A 40 6.294 3.161 16.212 1.00 1.00 C ATOM 608 OD1 ASP A 40 6.561 3.898 17.152 1.00 1.00 O ATOM 609 OD2 ASP A 40 7.012 2.250 15.837 1.00 1.00 O ATOM 0 H ASP A 40 3.104 4.881 13.941 1.00 1.00 H new ATOM 0 HA ASP A 40 4.980 5.424 16.173 1.00 1.00 H new ATOM 0 HB2 ASP A 40 4.152 2.968 16.043 1.00 1.00 H new ATOM 0 HB3 ASP A 40 4.998 2.876 14.511 1.00 1.00 H new ATOM 614 N GLY A 41 6.373 6.473 14.351 1.00 1.00 N ATOM 615 CA GLY A 41 7.249 6.993 13.307 1.00 1.00 C ATOM 616 C GLY A 41 8.403 7.769 13.914 1.00 1.00 C ATOM 617 O GLY A 41 8.835 7.474 15.028 1.00 1.00 O ATOM 0 H GLY A 41 6.393 6.990 15.230 1.00 1.00 H new ATOM 0 HA2 GLY A 41 7.634 6.170 12.705 1.00 1.00 H new ATOM 0 HA3 GLY A 41 6.682 7.639 12.637 1.00 1.00 H new ATOM 621 N GLU A 42 8.899 8.770 13.187 1.00 1.00 N ATOM 622 CA GLU A 42 9.992 9.584 13.668 1.00 1.00 C ATOM 623 C GLU A 42 9.387 10.886 14.144 1.00 1.00 C ATOM 624 O GLU A 42 8.466 11.392 13.529 1.00 1.00 O ATOM 625 CB GLU A 42 10.972 9.858 12.529 1.00 1.00 C ATOM 626 CG GLU A 42 11.639 8.551 12.102 1.00 1.00 C ATOM 627 CD GLU A 42 12.566 8.810 10.923 1.00 1.00 C ATOM 628 OE1 GLU A 42 12.658 9.954 10.505 1.00 1.00 O ATOM 629 OE2 GLU A 42 13.179 7.864 10.456 1.00 1.00 O ATOM 0 H GLU A 42 8.554 9.029 12.263 1.00 1.00 H new ATOM 0 HA GLU A 42 10.533 9.083 14.471 1.00 1.00 H new ATOM 0 HB2 GLU A 42 10.448 10.304 11.684 1.00 1.00 H new ATOM 0 HB3 GLU A 42 11.727 10.576 12.850 1.00 1.00 H new ATOM 0 HG2 GLU A 42 12.203 8.130 12.935 1.00 1.00 H new ATOM 0 HG3 GLU A 42 10.881 7.818 11.827 1.00 1.00 H new ATOM 636 N TRP A 43 9.896 11.386 15.260 1.00 1.00 N ATOM 637 CA TRP A 43 9.390 12.607 15.884 1.00 1.00 C ATOM 638 C TRP A 43 10.416 13.719 15.932 1.00 1.00 C ATOM 639 O TRP A 43 11.614 13.503 16.131 1.00 1.00 O ATOM 640 CB TRP A 43 8.976 12.313 17.320 1.00 1.00 C ATOM 641 CG TRP A 43 7.713 11.538 17.328 1.00 1.00 C ATOM 642 CD1 TRP A 43 7.639 10.189 17.216 1.00 1.00 C ATOM 643 CD2 TRP A 43 6.339 12.012 17.480 1.00 1.00 C ATOM 644 NE1 TRP A 43 6.314 9.809 17.273 1.00 1.00 N ATOM 645 CE2 TRP A 43 5.482 10.891 17.435 1.00 1.00 C ATOM 646 CE3 TRP A 43 5.758 13.290 17.636 1.00 1.00 C ATOM 647 CZ2 TRP A 43 4.120 11.016 17.552 1.00 1.00 C ATOM 648 CZ3 TRP A 43 4.362 13.417 17.749 1.00 1.00 C ATOM 649 CH2 TRP A 43 3.544 12.277 17.704 1.00 1.00 C ATOM 0 H TRP A 43 10.674 10.958 15.762 1.00 1.00 H new ATOM 0 HA TRP A 43 8.550 12.935 15.272 1.00 1.00 H new ATOM 0 HB2 TRP A 43 9.761 11.752 17.827 1.00 1.00 H new ATOM 0 HB3 TRP A 43 8.845 13.246 17.869 1.00 1.00 H new ATOM 0 HD1 TRP A 43 8.480 9.521 17.101 1.00 1.00 H new ATOM 0 HE1 TRP A 43 5.991 8.844 17.203 1.00 1.00 H new ATOM 0 HE3 TRP A 43 6.385 14.169 17.668 1.00 1.00 H new ATOM 0 HZ2 TRP A 43 3.494 10.137 17.526 1.00 1.00 H new ATOM 0 HZ3 TRP A 43 3.918 14.394 17.871 1.00 1.00 H new ATOM 0 HH2 TRP A 43 2.472 12.376 17.787 1.00 1.00 H new ATOM 660 N THR A 44 9.891 14.912 15.747 1.00 1.00 N ATOM 661 CA THR A 44 10.674 16.131 15.762 1.00 1.00 C ATOM 662 C THR A 44 9.862 17.259 16.393 1.00 1.00 C ATOM 663 O THR A 44 8.631 17.198 16.414 1.00 1.00 O ATOM 664 CB THR A 44 11.007 16.480 14.324 1.00 1.00 C ATOM 665 OG1 THR A 44 11.510 17.808 14.241 1.00 1.00 O ATOM 666 CG2 THR A 44 9.737 16.334 13.491 1.00 1.00 C ATOM 0 H THR A 44 8.896 15.065 15.580 1.00 1.00 H new ATOM 0 HA THR A 44 11.585 15.994 16.344 1.00 1.00 H new ATOM 0 HB THR A 44 11.778 15.809 13.945 1.00 1.00 H new ATOM 0 HG1 THR A 44 11.722 18.020 13.308 1.00 1.00 H new ATOM 0 HG21 THR A 44 9.953 16.581 12.452 1.00 1.00 H new ATOM 0 HG22 THR A 44 9.377 15.307 13.553 1.00 1.00 H new ATOM 0 HG23 THR A 44 8.972 17.010 13.873 1.00 1.00 H new ATOM 674 N TYR A 45 10.535 18.301 16.877 1.00 1.00 N ATOM 675 CA TYR A 45 9.819 19.434 17.469 1.00 1.00 C ATOM 676 C TYR A 45 10.510 20.752 17.166 1.00 1.00 C ATOM 677 O TYR A 45 11.725 20.879 17.292 1.00 1.00 O ATOM 678 CB TYR A 45 9.711 19.263 18.995 1.00 1.00 C ATOM 679 CG TYR A 45 9.122 20.524 19.619 1.00 1.00 C ATOM 680 CD1 TYR A 45 7.849 20.996 19.207 1.00 1.00 C ATOM 681 CD2 TYR A 45 9.843 21.227 20.592 1.00 1.00 C ATOM 682 CE1 TYR A 45 7.322 22.159 19.775 1.00 1.00 C ATOM 683 CE2 TYR A 45 9.308 22.395 21.155 1.00 1.00 C ATOM 684 CZ TYR A 45 8.048 22.860 20.748 1.00 1.00 C ATOM 685 OH TYR A 45 7.520 24.006 21.305 1.00 1.00 O ATOM 0 H TYR A 45 11.551 18.387 16.873 1.00 1.00 H new ATOM 0 HA TYR A 45 8.823 19.453 17.027 1.00 1.00 H new ATOM 0 HB2 TYR A 45 9.083 18.403 19.230 1.00 1.00 H new ATOM 0 HB3 TYR A 45 10.696 19.063 19.418 1.00 1.00 H new ATOM 0 HD1 TYR A 45 7.289 20.458 18.457 1.00 1.00 H new ATOM 0 HD2 TYR A 45 10.812 20.870 20.909 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.353 22.519 19.463 1.00 1.00 H new ATOM 0 HE2 TYR A 45 9.867 22.938 21.903 1.00 1.00 H new ATOM 0 HH TYR A 45 8.149 24.369 21.963 1.00 1.00 H new ATOM 695 N ASP A 46 9.697 21.754 16.834 1.00 1.00 N ATOM 696 CA ASP A 46 10.204 23.101 16.585 1.00 1.00 C ATOM 697 C ASP A 46 9.590 24.050 17.610 1.00 1.00 C ATOM 698 O ASP A 46 8.366 24.191 17.678 1.00 1.00 O ATOM 699 CB ASP A 46 9.848 23.553 15.169 1.00 1.00 C ATOM 700 CG ASP A 46 10.441 24.935 14.914 1.00 1.00 C ATOM 701 OD1 ASP A 46 10.921 25.536 15.860 1.00 1.00 O ATOM 702 OD2 ASP A 46 10.422 25.366 13.772 1.00 1.00 O ATOM 0 H ASP A 46 8.687 21.658 16.732 1.00 1.00 H new ATOM 0 HA ASP A 46 11.290 23.106 16.678 1.00 1.00 H new ATOM 0 HB2 ASP A 46 10.233 22.840 14.440 1.00 1.00 H new ATOM 0 HB3 ASP A 46 8.765 23.581 15.046 1.00 1.00 H new ATOM 707 N ASP A 47 10.440 24.676 18.424 1.00 1.00 N ATOM 708 CA ASP A 47 9.959 25.577 19.469 1.00 1.00 C ATOM 709 C ASP A 47 9.678 26.966 18.916 1.00 1.00 C ATOM 710 O ASP A 47 8.948 27.746 19.527 1.00 1.00 O ATOM 711 CB ASP A 47 11.028 25.705 20.561 1.00 1.00 C ATOM 712 CG ASP A 47 10.673 26.840 21.522 1.00 1.00 C ATOM 713 OD1 ASP A 47 9.719 26.684 22.265 1.00 1.00 O ATOM 714 OD2 ASP A 47 11.365 27.843 21.500 1.00 1.00 O ATOM 0 H ASP A 47 11.454 24.577 18.381 1.00 1.00 H new ATOM 0 HA ASP A 47 9.036 25.160 19.871 1.00 1.00 H new ATOM 0 HB2 ASP A 47 11.110 24.767 21.110 1.00 1.00 H new ATOM 0 HB3 ASP A 47 12.000 25.895 20.107 1.00 1.00 H new ATOM 719 N ALA A 48 10.287 27.294 17.786 1.00 1.00 N ATOM 720 CA ALA A 48 10.095 28.619 17.225 1.00 1.00 C ATOM 721 C ALA A 48 8.767 28.705 16.490 1.00 1.00 C ATOM 722 O ALA A 48 8.227 29.797 16.313 1.00 1.00 O ATOM 723 CB ALA A 48 11.227 28.936 16.257 1.00 1.00 C ATOM 0 H ALA A 48 10.902 26.679 17.253 1.00 1.00 H new ATOM 0 HA ALA A 48 10.093 29.341 18.041 1.00 1.00 H new ATOM 0 HB1 ALA A 48 11.079 29.931 15.838 1.00 1.00 H new ATOM 0 HB2 ALA A 48 12.179 28.903 16.787 1.00 1.00 H new ATOM 0 HB3 ALA A 48 11.234 28.201 15.452 1.00 1.00 H new ATOM 729 N THR A 49 8.236 27.549 16.062 1.00 1.00 N ATOM 730 CA THR A 49 6.956 27.523 15.335 1.00 1.00 C ATOM 731 C THR A 49 5.888 26.810 16.165 1.00 1.00 C ATOM 732 O THR A 49 4.708 26.837 15.816 1.00 1.00 O ATOM 733 CB THR A 49 7.149 26.820 13.976 1.00 1.00 C ATOM 734 OG1 THR A 49 8.069 25.751 14.149 1.00 1.00 O ATOM 735 CG2 THR A 49 7.689 27.792 12.919 1.00 1.00 C ATOM 0 H THR A 49 8.664 26.634 16.203 1.00 1.00 H new ATOM 0 HA THR A 49 6.621 28.545 15.159 1.00 1.00 H new ATOM 0 HB THR A 49 6.185 26.448 13.630 1.00 1.00 H new ATOM 0 HG1 THR A 49 8.855 25.901 13.583 1.00 1.00 H new ATOM 0 HG21 THR A 49 7.814 27.267 11.972 1.00 1.00 H new ATOM 0 HG22 THR A 49 6.986 28.614 12.788 1.00 1.00 H new ATOM 0 HG23 THR A 49 8.651 28.187 13.245 1.00 1.00 H new ATOM 743 N LYS A 50 6.315 26.161 17.258 1.00 1.00 N ATOM 744 CA LYS A 50 5.389 25.433 18.117 1.00 1.00 C ATOM 745 C LYS A 50 4.695 24.332 17.334 1.00 1.00 C ATOM 746 O LYS A 50 3.481 24.159 17.441 1.00 1.00 O ATOM 747 CB LYS A 50 4.332 26.381 18.678 1.00 1.00 C ATOM 748 CG LYS A 50 4.991 27.611 19.300 1.00 1.00 C ATOM 749 CD LYS A 50 5.902 27.187 20.457 1.00 1.00 C ATOM 750 CE LYS A 50 6.209 28.397 21.343 1.00 1.00 C ATOM 751 NZ LYS A 50 6.918 27.942 22.571 1.00 1.00 N ATOM 0 H LYS A 50 7.289 26.129 17.561 1.00 1.00 H new ATOM 0 HA LYS A 50 5.960 24.994 18.935 1.00 1.00 H new ATOM 0 HB2 LYS A 50 3.652 26.688 17.883 1.00 1.00 H new ATOM 0 HB3 LYS A 50 3.733 25.864 19.428 1.00 1.00 H new ATOM 0 HG2 LYS A 50 5.570 28.144 18.546 1.00 1.00 H new ATOM 0 HG3 LYS A 50 4.227 28.300 19.661 1.00 1.00 H new ATOM 0 HD2 LYS A 50 5.419 26.407 21.045 1.00 1.00 H new ATOM 0 HD3 LYS A 50 6.828 26.765 20.067 1.00 1.00 H new ATOM 0 HE2 LYS A 50 6.824 29.114 20.799 1.00 1.00 H new ATOM 0 HE3 LYS A 50 5.285 28.909 21.612 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 7.052 28.749 23.213 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 6.353 27.211 23.047 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 7.845 27.548 22.311 1.00 1.00 H new ATOM 765 N THR A 51 5.465 23.595 16.532 1.00 1.00 N ATOM 766 CA THR A 51 4.897 22.516 15.711 1.00 1.00 C ATOM 767 C THR A 51 5.645 21.198 15.927 1.00 1.00 C ATOM 768 O THR A 51 6.869 21.143 15.806 1.00 1.00 O ATOM 769 CB THR A 51 4.968 22.904 14.228 1.00 1.00 C ATOM 770 OG1 THR A 51 4.256 24.116 14.021 1.00 1.00 O ATOM 771 CG2 THR A 51 4.347 21.792 13.378 1.00 1.00 C ATOM 0 H THR A 51 6.472 23.720 16.431 1.00 1.00 H new ATOM 0 HA THR A 51 3.859 22.374 16.012 1.00 1.00 H new ATOM 0 HB THR A 51 6.010 23.042 13.938 1.00 1.00 H new ATOM 0 HG1 THR A 51 4.303 24.365 13.074 1.00 1.00 H new ATOM 0 HG21 THR A 51 4.398 22.068 12.325 1.00 1.00 H new ATOM 0 HG22 THR A 51 4.895 20.863 13.537 1.00 1.00 H new ATOM 0 HG23 THR A 51 3.305 21.652 13.667 1.00 1.00 H new ATOM 779 N PHE A 52 4.894 20.119 16.201 1.00 1.00 N ATOM 780 CA PHE A 52 5.488 18.805 16.373 1.00 1.00 C ATOM 781 C PHE A 52 5.136 17.998 15.154 1.00 1.00 C ATOM 782 O PHE A 52 4.075 18.209 14.575 1.00 1.00 O ATOM 783 CB PHE A 52 4.886 18.105 17.593 1.00 1.00 C ATOM 784 CG PHE A 52 5.385 18.726 18.872 1.00 1.00 C ATOM 785 CD1 PHE A 52 4.733 19.843 19.411 1.00 1.00 C ATOM 786 CD2 PHE A 52 6.478 18.162 19.540 1.00 1.00 C ATOM 787 CE1 PHE A 52 5.188 20.404 20.610 1.00 1.00 C ATOM 788 CE2 PHE A 52 6.927 18.721 20.743 1.00 1.00 C ATOM 789 CZ PHE A 52 6.280 19.841 21.279 1.00 1.00 C ATOM 0 H PHE A 52 3.880 20.141 16.306 1.00 1.00 H new ATOM 0 HA PHE A 52 6.565 18.898 16.510 1.00 1.00 H new ATOM 0 HB2 PHE A 52 3.799 18.169 17.554 1.00 1.00 H new ATOM 0 HB3 PHE A 52 5.144 17.046 17.574 1.00 1.00 H new ATOM 0 HD1 PHE A 52 3.881 20.270 18.902 1.00 1.00 H new ATOM 0 HD2 PHE A 52 6.975 17.296 19.128 1.00 1.00 H new ATOM 0 HE1 PHE A 52 4.695 21.273 21.019 1.00 1.00 H new ATOM 0 HE2 PHE A 52 7.772 18.288 21.257 1.00 1.00 H new ATOM 0 HZ PHE A 52 6.624 20.270 22.209 1.00 1.00 H new ATOM 799 N THR A 53 5.966 17.045 14.765 1.00 1.00 N ATOM 800 CA THR A 53 5.606 16.222 13.619 1.00 1.00 C ATOM 801 C THR A 53 5.982 14.777 13.857 1.00 1.00 C ATOM 802 O THR A 53 7.027 14.486 14.438 1.00 1.00 O ATOM 803 CB THR A 53 6.284 16.730 12.329 1.00 1.00 C ATOM 804 OG1 THR A 53 7.559 16.130 12.192 1.00 1.00 O ATOM 805 CG2 THR A 53 6.440 18.255 12.374 1.00 1.00 C ATOM 0 H THR A 53 6.860 16.825 15.204 1.00 1.00 H new ATOM 0 HA THR A 53 4.526 16.293 13.494 1.00 1.00 H new ATOM 0 HB THR A 53 5.660 16.462 11.477 1.00 1.00 H new ATOM 0 HG1 THR A 53 7.986 16.453 11.371 1.00 1.00 H new ATOM 0 HG21 THR A 53 6.920 18.599 11.458 1.00 1.00 H new ATOM 0 HG22 THR A 53 5.458 18.719 12.465 1.00 1.00 H new ATOM 0 HG23 THR A 53 7.054 18.533 13.231 1.00 1.00 H new ATOM 813 N VAL A 54 5.161 13.870 13.329 1.00 1.00 N ATOM 814 CA VAL A 54 5.454 12.451 13.410 1.00 1.00 C ATOM 815 C VAL A 54 5.215 11.846 12.041 1.00 1.00 C ATOM 816 O VAL A 54 4.241 12.178 11.363 1.00 1.00 O ATOM 817 CB VAL A 54 4.612 11.768 14.483 1.00 1.00 C ATOM 818 CG1 VAL A 54 3.134 11.856 14.136 1.00 1.00 C ATOM 819 CG2 VAL A 54 5.043 10.300 14.603 1.00 1.00 C ATOM 0 H VAL A 54 4.293 14.097 12.844 1.00 1.00 H new ATOM 0 HA VAL A 54 6.494 12.302 13.702 1.00 1.00 H new ATOM 0 HB VAL A 54 4.767 12.272 15.437 1.00 1.00 H new ATOM 0 HG11 VAL A 54 2.548 11.364 14.912 1.00 1.00 H new ATOM 0 HG12 VAL A 54 2.838 12.903 14.067 1.00 1.00 H new ATOM 0 HG13 VAL A 54 2.955 11.365 13.180 1.00 1.00 H new ATOM 0 HG21 VAL A 54 4.444 9.807 15.369 1.00 1.00 H new ATOM 0 HG22 VAL A 54 4.895 9.798 13.647 1.00 1.00 H new ATOM 0 HG23 VAL A 54 6.096 10.251 14.879 1.00 1.00 H new ATOM 829 N THR A 55 6.131 10.997 11.615 1.00 1.00 N ATOM 830 CA THR A 55 6.046 10.392 10.299 1.00 1.00 C ATOM 831 C THR A 55 6.455 8.933 10.339 1.00 1.00 C ATOM 832 O THR A 55 7.571 8.605 10.740 1.00 1.00 O ATOM 833 CB THR A 55 6.980 11.159 9.382 1.00 1.00 C ATOM 834 OG1 THR A 55 6.571 12.518 9.303 1.00 1.00 O ATOM 835 CG2 THR A 55 6.983 10.534 7.991 1.00 1.00 C ATOM 0 H THR A 55 6.943 10.710 12.161 1.00 1.00 H new ATOM 0 HA THR A 55 5.018 10.436 9.941 1.00 1.00 H new ATOM 0 HB THR A 55 7.990 11.113 9.789 1.00 1.00 H new ATOM 0 HG1 THR A 55 7.179 13.009 8.711 1.00 1.00 H new ATOM 0 HG21 THR A 55 7.657 11.093 7.342 1.00 1.00 H new ATOM 0 HG22 THR A 55 7.319 9.499 8.058 1.00 1.00 H new ATOM 0 HG23 THR A 55 5.975 10.562 7.577 1.00 1.00 H new ATOM 843 N GLU A 56 5.552 8.066 9.894 1.00 1.00 N ATOM 844 CA GLU A 56 5.812 6.640 9.854 1.00 1.00 C ATOM 845 C GLU A 56 6.323 6.253 8.468 1.00 1.00 C ATOM 846 O GLU A 56 6.185 7.061 7.565 1.00 1.00 O ATOM 847 CB GLU A 56 4.517 5.891 10.153 1.00 1.00 C ATOM 848 CG GLU A 56 3.767 6.588 11.292 1.00 1.00 C ATOM 849 CD GLU A 56 2.451 5.862 11.547 1.00 1.00 C ATOM 850 OE1 GLU A 56 1.469 6.216 10.919 1.00 1.00 O ATOM 851 OE2 GLU A 56 2.449 4.953 12.364 1.00 1.00 O ATOM 852 OXT GLU A 56 6.845 5.158 8.330 1.00 1.00 O ATOM 0 H GLU A 56 4.628 8.333 9.555 1.00 1.00 H new ATOM 0 HA GLU A 56 6.566 6.380 10.597 1.00 1.00 H new ATOM 0 HB2 GLU A 56 3.892 5.856 9.261 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.738 4.860 10.428 1.00 1.00 H new ATOM 0 HG2 GLU A 56 4.376 6.590 12.196 1.00 1.00 H new ATOM 0 HG3 GLU A 56 3.577 7.630 11.034 1.00 1.00 H new