USER MOD reduce.3.24.130724 H: found=0, std=0, add=116, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 114 hydrogens (16 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 NoAdj-H: A 10 HYP H : A 10 HYP N : A 9 LYS C :(H bumps) USER MOD NoAdj-H: A 13 DPN H : A 13 DPN N : A 12 SER C :(H bumps) USER MOD Single : A 1 ASP N :NH3+ 164:sc= 0.471 (180deg=0.321) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.012) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0115 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 5.328 -0.499 -1.825 1.00 0.00 N ATOM 2 CA ASP A 1 4.148 -0.963 -2.588 1.00 0.00 C ATOM 3 C ASP A 1 4.032 -2.478 -2.479 1.00 0.00 C ATOM 4 O ASP A 1 5.045 -3.180 -2.538 1.00 0.00 O ATOM 5 CB ASP A 1 4.206 -0.532 -4.065 1.00 0.00 C ATOM 6 CG ASP A 1 4.074 0.989 -4.224 1.00 0.00 C ATOM 7 OD1 ASP A 1 4.679 1.732 -3.416 1.00 0.00 O ATOM 8 OD2 ASP A 1 3.375 1.444 -5.161 1.00 0.00 O ATOM 0 H1 ASP A 1 5.567 0.472 -2.111 1.00 0.00 H new ATOM 0 H2 ASP A 1 5.113 -0.517 -0.808 1.00 0.00 H new ATOM 0 H3 ASP A 1 6.135 -1.126 -2.019 1.00 0.00 H new ATOM 0 HA ASP A 1 3.264 -0.496 -2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 1 5.148 -0.862 -4.503 1.00 0.00 H new ATOM 0 HB3 ASP A 1 3.407 -1.025 -4.619 1.00 0.00 H new ATOM 15 N TRP A 2 2.806 -2.997 -2.329 1.00 0.00 N ATOM 16 CA TRP A 2 2.525 -4.425 -2.154 1.00 0.00 C ATOM 17 C TRP A 2 1.780 -5.004 -3.368 1.00 0.00 C ATOM 18 O TRP A 2 0.955 -5.909 -3.223 1.00 0.00 O ATOM 19 CB TRP A 2 1.796 -4.654 -0.814 1.00 0.00 C ATOM 20 CG TRP A 2 0.374 -4.175 -0.711 1.00 0.00 C ATOM 21 CD1 TRP A 2 -0.022 -2.896 -0.525 1.00 0.00 C ATOM 22 CD2 TRP A 2 -0.860 -4.962 -0.779 1.00 0.00 C ATOM 23 NE1 TRP A 2 -1.401 -2.831 -0.500 1.00 0.00 N ATOM 24 CE2 TRP A 2 -1.973 -4.076 -0.658 1.00 0.00 C ATOM 25 CE3 TRP A 2 -1.153 -6.335 -0.935 1.00 0.00 C ATOM 26 CZ2 TRP A 2 -3.302 -4.528 -0.705 1.00 0.00 C ATOM 27 CZ3 TRP A 2 -2.481 -6.801 -0.985 1.00 0.00 C ATOM 28 CH2 TRP A 2 -3.555 -5.900 -0.874 1.00 0.00 C ATOM 0 H TRP A 2 1.964 -2.421 -2.326 1.00 0.00 H new ATOM 0 HA TRP A 2 3.464 -4.976 -2.105 1.00 0.00 H new ATOM 0 HB2 TRP A 2 1.808 -5.723 -0.602 1.00 0.00 H new ATOM 0 HB3 TRP A 2 2.374 -4.167 -0.028 1.00 0.00 H new ATOM 0 HD1 TRP A 2 0.641 -2.051 -0.413 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -1.932 -1.968 -0.379 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -0.341 -7.043 -1.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -4.120 -3.829 -0.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -2.676 -7.856 -1.109 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -4.572 -6.262 -0.919 1.00 0.00 H new ATOM 39 N GLU A 3 2.041 -4.464 -4.564 1.00 0.00 N ATOM 40 CA GLU A 3 1.429 -4.921 -5.801 1.00 0.00 C ATOM 41 C GLU A 3 1.752 -6.401 -6.048 1.00 0.00 C ATOM 42 O GLU A 3 2.784 -6.922 -5.611 1.00 0.00 O ATOM 43 CB GLU A 3 1.890 -4.057 -6.991 1.00 0.00 C ATOM 44 CG GLU A 3 1.004 -2.819 -7.205 1.00 0.00 C ATOM 45 CD GLU A 3 1.157 -2.255 -8.630 1.00 0.00 C ATOM 46 OE1 GLU A 3 2.081 -1.443 -8.871 1.00 0.00 O ATOM 47 OE2 GLU A 3 0.342 -2.609 -9.516 1.00 0.00 O ATOM 0 H GLU A 3 2.691 -3.689 -4.694 1.00 0.00 H new ATOM 0 HA GLU A 3 0.348 -4.817 -5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.919 -3.738 -6.826 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.886 -4.663 -7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -0.039 -3.081 -7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.268 -2.051 -6.478 1.00 0.00 H new ATOM 54 N TYR A 4 0.848 -7.064 -6.771 1.00 0.00 N ATOM 55 CA TYR A 4 0.957 -8.465 -7.152 1.00 0.00 C ATOM 56 C TYR A 4 2.246 -8.718 -7.939 1.00 0.00 C ATOM 57 O TYR A 4 2.679 -7.885 -8.741 1.00 0.00 O ATOM 58 CB TYR A 4 -0.279 -8.853 -7.968 1.00 0.00 C ATOM 59 CG TYR A 4 -0.316 -10.292 -8.446 1.00 0.00 C ATOM 60 CD1 TYR A 4 -0.535 -11.334 -7.525 1.00 0.00 C ATOM 61 CD2 TYR A 4 -0.156 -10.588 -9.815 1.00 0.00 C ATOM 62 CE1 TYR A 4 -0.598 -12.667 -7.966 1.00 0.00 C ATOM 63 CE2 TYR A 4 -0.224 -11.918 -10.266 1.00 0.00 C ATOM 64 CZ TYR A 4 -0.445 -12.966 -9.340 1.00 0.00 C ATOM 65 OH TYR A 4 -0.520 -14.261 -9.764 1.00 0.00 O ATOM 0 H TYR A 4 -0.005 -6.623 -7.116 1.00 0.00 H new ATOM 0 HA TYR A 4 1.003 -9.085 -6.257 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -1.166 -8.666 -7.363 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.341 -8.197 -8.837 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.655 -11.108 -6.476 1.00 0.00 H new ATOM 0 HD2 TYR A 4 0.020 -9.789 -10.521 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -0.763 -13.463 -7.255 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -0.108 -12.140 -11.317 1.00 0.00 H new ATOM 0 HH TYR A 4 -0.395 -14.295 -10.735 1.00 0.00 H new ATOM 75 N HIS A 5 2.834 -9.890 -7.715 1.00 0.00 N ATOM 76 CA HIS A 5 4.016 -10.393 -8.405 1.00 0.00 C ATOM 77 C HIS A 5 3.590 -11.555 -9.306 1.00 0.00 C ATOM 78 O HIS A 5 2.752 -12.373 -8.915 1.00 0.00 O ATOM 79 CB HIS A 5 5.080 -10.837 -7.388 1.00 0.00 C ATOM 80 CG HIS A 5 4.644 -11.957 -6.472 1.00 0.00 C ATOM 81 ND1 HIS A 5 4.925 -13.315 -6.656 1.00 0.00 N ATOM 82 CD2 HIS A 5 3.899 -11.807 -5.337 1.00 0.00 C ATOM 83 CE1 HIS A 5 4.329 -13.946 -5.629 1.00 0.00 C ATOM 84 NE2 HIS A 5 3.708 -13.068 -4.822 1.00 0.00 N ATOM 0 H HIS A 5 2.483 -10.544 -7.015 1.00 0.00 H new ATOM 0 HA HIS A 5 4.460 -9.607 -9.016 1.00 0.00 H new ATOM 0 HB2 HIS A 5 5.972 -11.154 -7.929 1.00 0.00 H new ATOM 0 HB3 HIS A 5 5.364 -9.978 -6.780 1.00 0.00 H new ATOM 0 HD2 HIS A 5 3.532 -10.879 -4.924 1.00 0.00 H new ATOM 0 HE1 HIS A 5 4.347 -15.015 -5.473 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.186 -13.297 -3.976 1.00 0.00 H new ATOM 92 N ALA A 6 4.155 -11.626 -10.514 1.00 0.00 N ATOM 93 CA ALA A 6 3.933 -12.742 -11.418 1.00 0.00 C ATOM 94 C ALA A 6 4.774 -13.933 -10.954 1.00 0.00 C ATOM 95 O ALA A 6 5.813 -13.769 -10.311 1.00 0.00 O ATOM 96 CB ALA A 6 4.272 -12.339 -12.859 1.00 0.00 C ATOM 0 H ALA A 6 4.778 -10.909 -10.886 1.00 0.00 H new ATOM 0 HA ALA A 6 2.882 -13.029 -11.402 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.100 -13.186 -13.524 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.638 -11.505 -13.162 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.318 -12.039 -12.916 1.00 0.00 H new ATOM 102 N HIS A 7 4.323 -15.134 -11.307 1.00 0.00 N ATOM 103 CA HIS A 7 5.049 -16.373 -11.045 1.00 0.00 C ATOM 104 C HIS A 7 6.221 -16.566 -12.033 1.00 0.00 C ATOM 105 O HIS A 7 7.355 -16.679 -11.553 1.00 0.00 O ATOM 106 CB HIS A 7 4.073 -17.566 -10.994 1.00 0.00 C ATOM 107 CG HIS A 7 4.742 -18.919 -11.080 1.00 0.00 C ATOM 108 ND1 HIS A 7 5.709 -19.423 -10.235 1.00 0.00 N ATOM 109 CD2 HIS A 7 4.518 -19.867 -12.045 1.00 0.00 C ATOM 110 CE1 HIS A 7 6.057 -20.640 -10.686 1.00 0.00 C ATOM 111 NE2 HIS A 7 5.356 -20.961 -11.792 1.00 0.00 N ATOM 0 H HIS A 7 3.435 -15.275 -11.788 1.00 0.00 H new ATOM 0 HA HIS A 7 5.514 -16.311 -10.061 1.00 0.00 H new ATOM 0 HB2 HIS A 7 3.502 -17.514 -10.067 1.00 0.00 H new ATOM 0 HB3 HIS A 7 3.360 -17.473 -11.813 1.00 0.00 H new ATOM 0 HD2 HIS A 7 3.815 -19.784 -12.861 1.00 0.00 H new ATOM 0 HE1 HIS A 7 6.798 -21.275 -10.225 1.00 0.00 H new ATOM 0 HE2 HIS A 7 5.422 -21.823 -12.333 1.00 0.00 H new ATOM 119 N PRO A 8 6.017 -16.618 -13.370 1.00 0.00 N ATOM 120 CA PRO A 8 7.096 -16.934 -14.305 1.00 0.00 C ATOM 121 C PRO A 8 8.049 -15.751 -14.532 1.00 0.00 C ATOM 122 O PRO A 8 9.256 -15.960 -14.655 1.00 0.00 O ATOM 123 CB PRO A 8 6.404 -17.373 -15.598 1.00 0.00 C ATOM 124 CG PRO A 8 5.110 -16.572 -15.572 1.00 0.00 C ATOM 125 CD PRO A 8 4.749 -16.558 -14.090 1.00 0.00 C ATOM 0 HA PRO A 8 7.737 -17.721 -13.908 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.005 -17.143 -16.478 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.216 -18.447 -15.612 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.250 -15.564 -15.963 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.332 -17.042 -16.173 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.195 -15.656 -13.831 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.114 -17.406 -13.834 1.00 0.00 H new ATOM 133 N LYS A 9 7.529 -14.518 -14.588 1.00 0.00 N ATOM 134 CA LYS A 9 8.315 -13.305 -14.790 1.00 0.00 C ATOM 135 C LYS A 9 8.670 -12.688 -13.425 1.00 0.00 C ATOM 136 O LYS A 9 7.795 -12.601 -12.560 1.00 0.00 O ATOM 137 CB LYS A 9 7.498 -12.354 -15.675 1.00 0.00 C ATOM 138 CG LYS A 9 8.219 -11.041 -16.017 1.00 0.00 C ATOM 139 CD LYS A 9 7.381 -10.130 -16.927 1.00 0.00 C ATOM 140 CE LYS A 9 7.269 -10.620 -18.380 1.00 0.00 C ATOM 141 NZ LYS A 9 8.545 -10.492 -19.132 1.00 0.00 N ATOM 0 H LYS A 9 6.530 -14.338 -14.492 1.00 0.00 H new ATOM 0 HA LYS A 9 9.258 -13.518 -15.293 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.242 -12.867 -16.602 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.561 -12.120 -15.170 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.456 -10.510 -15.095 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.166 -11.267 -16.507 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.379 -10.040 -16.508 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.819 -9.132 -16.925 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.954 -11.663 -18.383 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.493 -10.051 -18.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.411 -10.837 -20.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.835 -9.494 -19.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.282 -11.056 -18.663 1.00 0.00 H new HETATM 155 N HYP A 10 9.920 -12.248 -13.207 1.00 0.00 N HETATM 156 CA HYP A 10 10.330 -11.620 -11.959 1.00 0.00 C HETATM 157 C HYP A 10 9.809 -10.181 -11.872 1.00 0.00 C HETATM 158 O HYP A 10 9.282 -9.637 -12.842 1.00 0.00 O HETATM 159 CB HYP A 10 11.859 -11.686 -11.952 1.00 0.00 C HETATM 160 CG HYP A 10 12.222 -11.675 -13.431 1.00 0.00 C HETATM 161 CD HYP A 10 11.026 -12.298 -14.147 1.00 0.00 C HETATM 162 OD1 HYP A 10 13.426 -12.362 -13.699 1.00 0.00 O HETATM 0 HD23 HYP A 10 11.240 -13.325 -14.441 1.00 0.00 H new HETATM 0 HD22 HYP A 10 10.788 -11.748 -15.058 1.00 0.00 H new HETATM 0 HG HYP A 10 12.412 -10.661 -13.782 1.00 0.00 H new HETATM 0 HD1 HYP A 10 13.615 -12.328 -14.660 1.00 0.00 H new HETATM 0 HB3 HYP A 10 12.295 -10.837 -11.425 1.00 0.00 H new HETATM 0 HB2 HYP A 10 12.220 -12.588 -11.457 1.00 0.00 H new HETATM 0 HA HYP A 10 9.917 -12.128 -11.088 1.00 0.00 H new ATOM 170 N ASN A 11 10.010 -9.564 -10.707 1.00 0.00 N ATOM 171 CA ASN A 11 9.518 -8.236 -10.335 1.00 0.00 C ATOM 172 C ASN A 11 9.953 -7.187 -11.360 1.00 0.00 C ATOM 173 O ASN A 11 9.172 -6.751 -12.208 1.00 0.00 O ATOM 174 CB ASN A 11 10.035 -7.862 -8.931 1.00 0.00 C ATOM 175 CG ASN A 11 9.311 -8.581 -7.787 1.00 0.00 C ATOM 176 OD1 ASN A 11 8.958 -9.755 -7.885 1.00 0.00 O ATOM 177 ND2 ASN A 11 9.077 -7.895 -6.674 1.00 0.00 N ATOM 0 H ASN A 11 10.548 -9.999 -9.958 1.00 0.00 H new ATOM 0 HA ASN A 11 8.428 -8.260 -10.319 1.00 0.00 H new ATOM 0 HB2 ASN A 11 11.099 -8.091 -8.874 1.00 0.00 H new ATOM 0 HB3 ASN A 11 9.933 -6.786 -8.792 1.00 0.00 H new ATOM 0 HD21 ASN A 11 8.600 -8.341 -5.890 1.00 0.00 H new ATOM 0 HD22 ASN A 11 9.374 -6.922 -6.603 1.00 0.00 H new ATOM 184 N SER A 12 11.227 -6.803 -11.306 1.00 0.00 N ATOM 185 CA SER A 12 11.818 -5.818 -12.200 1.00 0.00 C ATOM 186 C SER A 12 11.753 -6.290 -13.661 1.00 0.00 C ATOM 187 O SER A 12 11.785 -5.471 -14.577 1.00 0.00 O ATOM 188 CB SER A 12 13.266 -5.566 -11.752 1.00 0.00 C ATOM 189 OG SER A 12 13.357 -5.451 -10.333 1.00 0.00 O ATOM 0 H SER A 12 11.888 -7.177 -10.625 1.00 0.00 H new ATOM 0 HA SER A 12 11.256 -4.885 -12.149 1.00 0.00 H new ATOM 0 HB2 SER A 12 13.902 -6.382 -12.094 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.639 -4.654 -12.218 1.00 0.00 H new ATOM 0 HG SER A 12 14.290 -5.293 -10.077 1.00 0.00 H new HETATM 195 N DPN A 13 11.606 -7.609 -13.862 1.00 0.00 N HETATM 196 CA DPN A 13 11.392 -8.295 -15.128 1.00 0.00 C HETATM 197 C DPN A 13 10.357 -7.620 -16.045 1.00 0.00 C HETATM 198 O DPN A 13 10.439 -7.720 -17.272 1.00 0.00 O HETATM 199 CB DPN A 13 12.731 -8.650 -15.794 1.00 0.00 C HETATM 200 CG DPN A 13 13.780 -7.557 -15.885 1.00 0.00 C HETATM 201 CD1 DPN A 13 13.964 -6.844 -17.085 1.00 0.00 C HETATM 202 CD2 DPN A 13 14.600 -7.278 -14.771 1.00 0.00 C HETATM 203 CE1 DPN A 13 14.966 -5.861 -17.172 1.00 0.00 C HETATM 204 CE2 DPN A 13 15.595 -6.288 -14.858 1.00 0.00 C HETATM 205 CZ DPN A 13 15.780 -5.582 -16.060 1.00 0.00 C HETATM 0 HZ DPN A 13 16.555 -4.818 -16.130 1.00 0.00 H new HETATM 0 HE2 DPN A 13 16.222 -6.068 -13.994 1.00 0.00 H new HETATM 0 HE1 DPN A 13 15.112 -5.314 -18.104 1.00 0.00 H new HETATM 0 HD2 DPN A 13 14.462 -7.831 -13.842 1.00 0.00 H new HETATM 0 HD1 DPN A 13 13.330 -7.054 -17.946 1.00 0.00 H new HETATM 0 HB3 DPN A 13 13.165 -9.489 -15.250 1.00 0.00 H new HETATM 0 HB2 DPN A 13 12.522 -9.000 -16.805 1.00 0.00 H new HETATM 0 HA DPN A 13 10.908 -9.246 -14.905 1.00 0.00 H new HETATM 0 H2 DPN A 13 12.274 -7.981 -13.187 1.00 0.00 H new ATOM 215 N TRP A 14 9.359 -6.949 -15.460 1.00 0.00 N ATOM 216 CA TRP A 14 8.332 -6.238 -16.215 1.00 0.00 C ATOM 217 C TRP A 14 8.858 -5.050 -17.036 1.00 0.00 C ATOM 218 O TRP A 14 8.162 -4.649 -17.973 1.00 0.00 O ATOM 219 CB TRP A 14 7.218 -5.790 -15.260 1.00 0.00 C ATOM 220 CG TRP A 14 6.081 -6.750 -15.110 1.00 0.00 C ATOM 221 CD1 TRP A 14 5.310 -7.249 -16.103 1.00 0.00 C ATOM 222 CD2 TRP A 14 5.521 -7.277 -13.879 1.00 0.00 C ATOM 223 NE1 TRP A 14 4.323 -8.055 -15.568 1.00 0.00 N ATOM 224 CE2 TRP A 14 4.392 -8.088 -14.191 1.00 0.00 C ATOM 225 CE3 TRP A 14 5.843 -7.107 -12.522 1.00 0.00 C ATOM 226 CZ2 TRP A 14 3.610 -8.691 -13.192 1.00 0.00 C ATOM 227 CZ3 TRP A 14 5.084 -7.719 -11.518 1.00 0.00 C ATOM 228 CH2 TRP A 14 3.961 -8.502 -11.845 1.00 0.00 C ATOM 0 H TRP A 14 9.244 -6.886 -14.448 1.00 0.00 H new ATOM 0 HA TRP A 14 7.943 -6.941 -16.952 1.00 0.00 H new ATOM 0 HB2 TRP A 14 7.654 -5.612 -14.277 1.00 0.00 H new ATOM 0 HB3 TRP A 14 6.823 -4.836 -15.610 1.00 0.00 H new ATOM 0 HD1 TRP A 14 5.445 -7.048 -17.155 1.00 0.00 H new ATOM 0 HE1 TRP A 14 3.631 -8.561 -16.121 1.00 0.00 H new ATOM 0 HE3 TRP A 14 6.690 -6.494 -12.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 2.752 -9.291 -13.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.363 -7.589 -10.483 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.371 -8.956 -11.063 1.00 0.00 H new ATOM 239 N THR A 15 10.035 -4.487 -16.735 1.00 0.00 N ATOM 240 CA THR A 15 10.521 -3.272 -17.395 1.00 0.00 C ATOM 241 C THR A 15 12.033 -3.115 -17.161 1.00 0.00 C ATOM 242 O THR A 15 12.795 -3.340 -18.132 1.00 0.00 O ATOM 243 CB THR A 15 9.623 -2.053 -17.036 1.00 0.00 C ATOM 244 OG1 THR A 15 9.967 -0.900 -17.788 1.00 0.00 O ATOM 245 CG2 THR A 15 9.569 -1.681 -15.546 1.00 0.00 C ATOM 246 OXT THR A 15 12.476 -2.792 -16.036 1.00 0.00 O ATOM 0 H THR A 15 10.673 -4.859 -16.031 1.00 0.00 H new ATOM 0 HA THR A 15 10.424 -3.345 -18.478 1.00 0.00 H new ATOM 0 HB THR A 15 8.624 -2.398 -17.302 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.380 -0.157 -17.535 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.916 -0.819 -15.410 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.182 -2.524 -14.974 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.572 -1.435 -15.196 1.00 0.00 H new TER 254 THR A 15