USER MOD reduce.3.24.130724 H: found=0, std=0, add=115, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 116 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 H2 : A 13 DPN N : A 12 SER 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+ 161:sc= 0.445 (180deg=0.295) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.35 X(o=-0.35,f=-0.35) 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= -0.0819 K(o=-0.082,f=-2.6!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.924 -1.406 -0.678 1.00 0.00 N ATOM 2 CA ASP A 1 2.043 0.025 -1.038 1.00 0.00 C ATOM 3 C ASP A 1 1.223 0.316 -2.288 1.00 0.00 C ATOM 4 O ASP A 1 1.135 -0.525 -3.188 1.00 0.00 O ATOM 5 CB ASP A 1 3.506 0.448 -1.249 1.00 0.00 C ATOM 6 CG ASP A 1 4.284 0.418 0.071 1.00 0.00 C ATOM 7 OD1 ASP A 1 4.269 -0.637 0.749 1.00 0.00 O ATOM 8 OD2 ASP A 1 4.902 1.444 0.442 1.00 0.00 O ATOM 0 H1 ASP A 1 2.708 -1.672 -0.048 1.00 0.00 H new ATOM 0 H2 ASP A 1 1.019 -1.568 -0.192 1.00 0.00 H new ATOM 0 H3 ASP A 1 1.962 -1.985 -1.541 1.00 0.00 H new ATOM 0 HA ASP A 1 1.655 0.609 -0.204 1.00 0.00 H new ATOM 0 HB2 ASP A 1 3.980 -0.218 -1.970 1.00 0.00 H new ATOM 0 HB3 ASP A 1 3.540 1.452 -1.672 1.00 0.00 H new ATOM 15 N TRP A 2 0.619 1.507 -2.366 1.00 0.00 N ATOM 16 CA TRP A 2 -0.137 1.943 -3.533 1.00 0.00 C ATOM 17 C TRP A 2 0.866 2.411 -4.592 1.00 0.00 C ATOM 18 O TRP A 2 1.567 3.407 -4.389 1.00 0.00 O ATOM 19 CB TRP A 2 -1.147 3.028 -3.130 1.00 0.00 C ATOM 20 CG TRP A 2 -2.252 3.258 -4.116 1.00 0.00 C ATOM 21 CD1 TRP A 2 -3.439 2.612 -4.125 1.00 0.00 C ATOM 22 CD2 TRP A 2 -2.306 4.193 -5.237 1.00 0.00 C ATOM 23 NE1 TRP A 2 -4.223 3.083 -5.157 1.00 0.00 N ATOM 24 CE2 TRP A 2 -3.578 4.068 -5.874 1.00 0.00 C ATOM 25 CE3 TRP A 2 -1.408 5.138 -5.776 1.00 0.00 C ATOM 26 CZ2 TRP A 2 -3.941 4.853 -6.980 1.00 0.00 C ATOM 27 CZ3 TRP A 2 -1.766 5.934 -6.883 1.00 0.00 C ATOM 28 CH2 TRP A 2 -3.030 5.792 -7.482 1.00 0.00 C ATOM 0 H TRP A 2 0.644 2.196 -1.614 1.00 0.00 H new ATOM 0 HA TRP A 2 -0.726 1.130 -3.957 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -1.587 2.756 -2.170 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -0.611 3.966 -2.981 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -3.730 1.841 -3.427 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -5.163 2.745 -5.364 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -0.430 5.254 -5.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -4.912 4.734 -7.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -1.065 6.657 -7.273 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -3.299 6.406 -8.329 1.00 0.00 H new ATOM 39 N GLU A 3 0.967 1.663 -5.691 1.00 0.00 N ATOM 40 CA GLU A 3 1.909 1.927 -6.770 1.00 0.00 C ATOM 41 C GLU A 3 1.435 3.159 -7.548 1.00 0.00 C ATOM 42 O GLU A 3 0.287 3.210 -7.998 1.00 0.00 O ATOM 43 CB GLU A 3 2.046 0.680 -7.650 1.00 0.00 C ATOM 44 CG GLU A 3 3.111 0.832 -8.744 1.00 0.00 C ATOM 45 CD GLU A 3 3.280 -0.470 -9.543 1.00 0.00 C ATOM 46 OE1 GLU A 3 2.526 -0.692 -10.521 1.00 0.00 O ATOM 47 OE2 GLU A 3 4.177 -1.281 -9.206 1.00 0.00 O ATOM 0 H GLU A 3 0.384 0.842 -5.856 1.00 0.00 H new ATOM 0 HA GLU A 3 2.903 2.146 -6.379 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.297 -0.175 -7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.084 0.463 -8.115 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.830 1.641 -9.418 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.063 1.110 -8.292 1.00 0.00 H new ATOM 54 N TYR A 4 2.312 4.157 -7.695 1.00 0.00 N ATOM 55 CA TYR A 4 1.995 5.404 -8.387 1.00 0.00 C ATOM 56 C TYR A 4 2.053 5.234 -9.910 1.00 0.00 C ATOM 57 O TYR A 4 2.492 4.203 -10.429 1.00 0.00 O ATOM 58 CB TYR A 4 2.916 6.539 -7.916 1.00 0.00 C ATOM 59 CG TYR A 4 2.208 7.854 -7.644 1.00 0.00 C ATOM 60 CD1 TYR A 4 1.310 7.958 -6.565 1.00 0.00 C ATOM 61 CD2 TYR A 4 2.444 8.974 -8.465 1.00 0.00 C ATOM 62 CE1 TYR A 4 0.630 9.165 -6.320 1.00 0.00 C ATOM 63 CE2 TYR A 4 1.771 10.185 -8.228 1.00 0.00 C ATOM 64 CZ TYR A 4 0.855 10.285 -7.153 1.00 0.00 C ATOM 65 OH TYR A 4 0.194 11.454 -6.910 1.00 0.00 O ATOM 0 H TYR A 4 3.265 4.119 -7.335 1.00 0.00 H new ATOM 0 HA TYR A 4 0.970 5.674 -8.132 1.00 0.00 H new ATOM 0 HB2 TYR A 4 3.427 6.221 -7.007 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.684 6.704 -8.672 1.00 0.00 H new ATOM 0 HD1 TYR A 4 1.142 7.107 -5.922 1.00 0.00 H new ATOM 0 HD2 TYR A 4 3.147 8.902 -9.282 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -0.064 9.236 -5.496 1.00 0.00 H new ATOM 0 HE2 TYR A 4 1.952 11.038 -8.865 1.00 0.00 H new ATOM 0 HH TYR A 4 0.462 12.125 -7.572 1.00 0.00 H new ATOM 75 N HIS A 5 1.651 6.294 -10.609 1.00 0.00 N ATOM 76 CA HIS A 5 1.657 6.381 -12.064 1.00 0.00 C ATOM 77 C HIS A 5 2.858 7.242 -12.478 1.00 0.00 C ATOM 78 O HIS A 5 3.825 6.752 -13.063 1.00 0.00 O ATOM 79 CB HIS A 5 0.316 6.956 -12.573 1.00 0.00 C ATOM 80 CG HIS A 5 -0.291 6.138 -13.687 1.00 0.00 C ATOM 81 ND1 HIS A 5 -0.226 6.416 -15.043 1.00 0.00 N ATOM 82 CD2 HIS A 5 -1.012 4.985 -13.532 1.00 0.00 C ATOM 83 CE1 HIS A 5 -0.895 5.446 -15.696 1.00 0.00 C ATOM 84 NE2 HIS A 5 -1.381 4.565 -14.798 1.00 0.00 N ATOM 0 H HIS A 5 1.301 7.142 -10.162 1.00 0.00 H new ATOM 0 HA HIS A 5 1.758 5.394 -12.515 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -0.389 7.009 -11.743 1.00 0.00 H new ATOM 0 HB3 HIS A 5 0.474 7.976 -12.923 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -1.248 4.496 -12.599 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -1.022 5.384 -16.767 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -1.927 3.731 -15.015 1.00 0.00 H new ATOM 93 N ALA A 6 2.825 8.531 -12.117 1.00 0.00 N ATOM 94 CA ALA A 6 3.858 9.517 -12.436 1.00 0.00 C ATOM 95 C ALA A 6 4.924 9.530 -11.339 1.00 0.00 C ATOM 96 O ALA A 6 5.172 10.549 -10.690 1.00 0.00 O ATOM 97 CB ALA A 6 3.208 10.891 -12.645 1.00 0.00 C ATOM 0 H ALA A 6 2.054 8.926 -11.578 1.00 0.00 H new ATOM 0 HA ALA A 6 4.361 9.249 -13.365 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.978 11.625 -12.883 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.494 10.835 -13.467 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.690 11.191 -11.734 1.00 0.00 H new ATOM 103 N HIS A 7 5.503 8.356 -11.099 1.00 0.00 N ATOM 104 CA HIS A 7 6.578 8.135 -10.159 1.00 0.00 C ATOM 105 C HIS A 7 7.786 9.060 -10.426 1.00 0.00 C ATOM 106 O HIS A 7 8.020 9.455 -11.578 1.00 0.00 O ATOM 107 CB HIS A 7 7.004 6.659 -10.179 1.00 0.00 C ATOM 108 CG HIS A 7 6.977 5.987 -11.534 1.00 0.00 C ATOM 109 ND1 HIS A 7 7.582 6.448 -12.694 1.00 0.00 N ATOM 110 CD2 HIS A 7 6.237 4.884 -11.862 1.00 0.00 C ATOM 111 CE1 HIS A 7 7.194 5.651 -13.706 1.00 0.00 C ATOM 112 NE2 HIS A 7 6.391 4.682 -13.222 1.00 0.00 N ATOM 0 H HIS A 7 5.218 7.502 -11.579 1.00 0.00 H new ATOM 0 HA HIS A 7 6.204 8.383 -9.166 1.00 0.00 H new ATOM 0 HB2 HIS A 7 8.015 6.586 -9.778 1.00 0.00 H new ATOM 0 HB3 HIS A 7 6.353 6.103 -9.505 1.00 0.00 H new ATOM 0 HD2 HIS A 7 5.645 4.284 -11.187 1.00 0.00 H new ATOM 0 HE1 HIS A 7 7.480 5.769 -14.741 1.00 0.00 H new ATOM 0 HE2 HIS A 7 5.969 3.929 -13.766 1.00 0.00 H new ATOM 121 N PRO A 8 8.579 9.355 -9.379 1.00 0.00 N ATOM 122 CA PRO A 8 9.683 10.301 -9.420 1.00 0.00 C ATOM 123 C PRO A 8 10.857 9.788 -10.257 1.00 0.00 C ATOM 124 O PRO A 8 11.036 8.586 -10.462 1.00 0.00 O ATOM 125 CB PRO A 8 10.076 10.519 -7.955 1.00 0.00 C ATOM 126 CG PRO A 8 9.677 9.224 -7.260 1.00 0.00 C ATOM 127 CD PRO A 8 8.439 8.802 -8.038 1.00 0.00 C ATOM 0 HA PRO A 8 9.391 11.233 -9.903 1.00 0.00 H new ATOM 0 HB2 PRO A 8 11.144 10.711 -7.854 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.556 11.376 -7.527 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.466 8.474 -7.315 1.00 0.00 H new ATOM 0 HG3 PRO A 8 9.459 9.381 -6.204 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.356 7.716 -8.074 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.534 9.175 -7.558 1.00 0.00 H new ATOM 135 N LYS A 9 11.668 10.737 -10.726 1.00 0.00 N ATOM 136 CA LYS A 9 12.889 10.506 -11.486 1.00 0.00 C ATOM 137 C LYS A 9 14.092 10.370 -10.528 1.00 0.00 C ATOM 138 O LYS A 9 14.003 10.803 -9.374 1.00 0.00 O ATOM 139 CB LYS A 9 13.066 11.686 -12.458 1.00 0.00 C ATOM 140 CG LYS A 9 12.393 11.490 -13.829 1.00 0.00 C ATOM 141 CD LYS A 9 10.864 11.329 -13.760 1.00 0.00 C ATOM 142 CE LYS A 9 10.200 11.394 -15.145 1.00 0.00 C ATOM 143 NZ LYS A 9 10.580 10.265 -16.032 1.00 0.00 N ATOM 0 H LYS A 9 11.481 11.729 -10.578 1.00 0.00 H new ATOM 0 HA LYS A 9 12.827 9.577 -12.053 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.662 12.586 -11.994 1.00 0.00 H new ATOM 0 HB3 LYS A 9 14.131 11.857 -12.612 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.630 12.344 -14.463 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.819 10.609 -14.309 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.624 10.375 -13.290 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.448 12.111 -13.125 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.117 11.401 -15.021 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.472 12.333 -15.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.100 10.367 -16.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.610 10.270 -16.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.297 9.367 -15.591 1.00 0.00 H new HETATM 157 N HYP A 10 15.218 9.790 -10.983 1.00 0.00 N HETATM 158 CA HYP A 10 16.390 9.537 -10.153 1.00 0.00 C HETATM 159 C HYP A 10 17.203 10.828 -9.976 1.00 0.00 C HETATM 160 O HYP A 10 16.876 11.656 -9.126 1.00 0.00 O HETATM 161 CB HYP A 10 17.129 8.390 -10.856 1.00 0.00 C HETATM 162 CG HYP A 10 16.796 8.592 -12.336 1.00 0.00 C HETATM 163 CD HYP A 10 15.408 9.235 -12.318 1.00 0.00 C HETATM 164 OD1 HYP A 10 16.782 7.371 -13.045 1.00 0.00 O HETATM 0 HD23 HYP A 10 14.637 8.498 -12.543 1.00 0.00 H new HETATM 0 HD22 HYP A 10 15.334 10.015 -13.075 1.00 0.00 H new HETATM 0 HG HYP A 10 17.541 9.205 -12.843 1.00 0.00 H new HETATM 0 HD1 HYP A 10 16.564 7.541 -13.985 1.00 0.00 H new HETATM 0 HB3 HYP A 10 18.203 8.438 -10.678 1.00 0.00 H new HETATM 0 HB2 HYP A 10 16.790 7.418 -10.499 1.00 0.00 H new HETATM 0 HA HYP A 10 16.158 9.238 -9.131 1.00 0.00 H new ATOM 172 N ASN A 11 18.250 11.032 -10.780 1.00 0.00 N ATOM 173 CA ASN A 11 19.192 12.155 -10.702 1.00 0.00 C ATOM 174 C ASN A 11 18.628 13.436 -11.337 1.00 0.00 C ATOM 175 O ASN A 11 19.309 14.155 -12.069 1.00 0.00 O ATOM 176 CB ASN A 11 20.553 11.747 -11.289 1.00 0.00 C ATOM 177 CG ASN A 11 20.574 11.619 -12.818 1.00 0.00 C ATOM 178 OD1 ASN A 11 19.692 11.003 -13.416 1.00 0.00 O ATOM 179 ND2 ASN A 11 21.584 12.177 -13.477 1.00 0.00 N ATOM 0 H ASN A 11 18.476 10.389 -11.539 1.00 0.00 H new ATOM 0 HA ASN A 11 19.345 12.399 -9.651 1.00 0.00 H new ATOM 0 HB2 ASN A 11 21.299 12.482 -10.988 1.00 0.00 H new ATOM 0 HB3 ASN A 11 20.851 10.794 -10.853 1.00 0.00 H new ATOM 0 HD21 ASN A 11 21.636 12.098 -14.493 1.00 0.00 H new ATOM 0 HD22 ASN A 11 22.307 12.684 -12.967 1.00 0.00 H new ATOM 186 N SER A 12 17.366 13.737 -11.044 1.00 0.00 N ATOM 187 CA SER A 12 16.623 14.851 -11.623 1.00 0.00 C ATOM 188 C SER A 12 17.304 16.200 -11.332 1.00 0.00 C ATOM 189 O SER A 12 17.257 17.119 -12.151 1.00 0.00 O ATOM 190 CB SER A 12 15.181 14.787 -11.084 1.00 0.00 C ATOM 191 OG SER A 12 14.274 15.624 -11.785 1.00 0.00 O ATOM 0 H SER A 12 16.816 13.196 -10.377 1.00 0.00 H new ATOM 0 HA SER A 12 16.605 14.768 -12.710 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.828 13.757 -11.138 1.00 0.00 H new ATOM 0 HB3 SER A 12 15.183 15.069 -10.031 1.00 0.00 H new ATOM 0 HG SER A 12 13.379 15.536 -11.395 1.00 0.00 H new HETATM 197 N DPN A 13 17.999 16.278 -10.190 1.00 0.00 N HETATM 198 CA DPN A 13 18.702 17.443 -9.648 1.00 0.00 C HETATM 199 C DPN A 13 19.877 17.938 -10.514 1.00 0.00 C HETATM 200 O DPN A 13 20.481 18.975 -10.226 1.00 0.00 O HETATM 201 CB DPN A 13 17.701 18.561 -9.377 1.00 0.00 C HETATM 202 CG DPN A 13 16.735 18.270 -8.244 1.00 0.00 C HETATM 203 CD1 DPN A 13 17.131 18.474 -6.908 1.00 0.00 C HETATM 204 CD2 DPN A 13 15.448 17.768 -8.521 1.00 0.00 C HETATM 205 CE1 DPN A 13 16.246 18.176 -5.856 1.00 0.00 C HETATM 206 CE2 DPN A 13 14.566 17.467 -7.469 1.00 0.00 C HETATM 207 CZ DPN A 13 14.963 17.672 -6.136 1.00 0.00 C HETATM 0 HZ DPN A 13 14.278 17.441 -5.321 1.00 0.00 H new HETATM 0 HE2 DPN A 13 13.573 17.074 -7.687 1.00 0.00 H new HETATM 0 HE1 DPN A 13 16.555 18.336 -4.823 1.00 0.00 H new HETATM 0 HD2 DPN A 13 15.136 17.613 -9.554 1.00 0.00 H new HETATM 0 HD1 DPN A 13 18.125 18.864 -6.689 1.00 0.00 H new HETATM 0 HB3 DPN A 13 18.248 19.475 -9.147 1.00 0.00 H new HETATM 0 HB2 DPN A 13 17.130 18.751 -10.286 1.00 0.00 H new HETATM 0 HA DPN A 13 19.165 17.123 -8.715 1.00 0.00 H new ATOM 217 N TRP A 14 20.221 17.187 -11.554 1.00 0.00 N ATOM 218 CA TRP A 14 21.351 17.407 -12.438 1.00 0.00 C ATOM 219 C TRP A 14 20.933 17.943 -13.815 1.00 0.00 C ATOM 220 O TRP A 14 21.804 18.233 -14.641 1.00 0.00 O ATOM 221 CB TRP A 14 22.090 16.070 -12.564 1.00 0.00 C ATOM 222 CG TRP A 14 22.733 15.567 -11.303 1.00 0.00 C ATOM 223 CD1 TRP A 14 22.103 15.026 -10.235 1.00 0.00 C ATOM 224 CD2 TRP A 14 24.148 15.578 -10.951 1.00 0.00 C ATOM 225 NE1 TRP A 14 23.025 14.683 -9.267 1.00 0.00 N ATOM 226 CE2 TRP A 14 24.309 15.003 -9.655 1.00 0.00 C ATOM 227 CE3 TRP A 14 25.311 16.030 -11.604 1.00 0.00 C ATOM 228 CZ2 TRP A 14 25.567 14.871 -9.047 1.00 0.00 C ATOM 229 CZ3 TRP A 14 26.580 15.904 -11.006 1.00 0.00 C ATOM 230 CH2 TRP A 14 26.710 15.323 -9.730 1.00 0.00 C ATOM 0 H TRP A 14 19.684 16.360 -11.815 1.00 0.00 H new ATOM 0 HA TRP A 14 21.999 18.176 -12.017 1.00 0.00 H new ATOM 0 HB2 TRP A 14 21.386 15.317 -12.918 1.00 0.00 H new ATOM 0 HB3 TRP A 14 22.860 16.171 -13.329 1.00 0.00 H new ATOM 0 HD1 TRP A 14 21.036 14.883 -10.152 1.00 0.00 H new ATOM 0 HE1 TRP A 14 22.787 14.247 -8.376 1.00 0.00 H new ATOM 0 HE3 TRP A 14 25.228 16.482 -12.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 25.656 14.428 -8.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 27.458 16.255 -11.529 1.00 0.00 H new ATOM 0 HH2 TRP A 14 27.685 15.225 -9.277 1.00 0.00 H new ATOM 241 N THR A 15 19.632 18.072 -14.075 1.00 0.00 N ATOM 242 CA THR A 15 19.071 18.545 -15.341 1.00 0.00 C ATOM 243 C THR A 15 18.044 19.664 -15.088 1.00 0.00 C ATOM 244 O THR A 15 17.896 20.120 -13.928 1.00 0.00 O ATOM 245 CB THR A 15 18.514 17.347 -16.149 1.00 0.00 C ATOM 246 OG1 THR A 15 17.782 16.435 -15.339 1.00 0.00 O ATOM 247 CG2 THR A 15 19.655 16.567 -16.822 1.00 0.00 C ATOM 248 OXT THR A 15 17.433 20.156 -16.065 1.00 0.00 O ATOM 0 H THR A 15 18.915 17.842 -13.387 1.00 0.00 H new ATOM 0 HA THR A 15 19.851 18.994 -15.956 1.00 0.00 H new ATOM 0 HB THR A 15 17.844 17.775 -16.895 1.00 0.00 H new ATOM 0 HG1 THR A 15 17.450 15.698 -15.894 1.00 0.00 H new ATOM 0 HG21 THR A 15 19.241 15.730 -17.384 1.00 0.00 H new ATOM 0 HG22 THR A 15 20.197 17.227 -17.500 1.00 0.00 H new ATOM 0 HG23 THR A 15 20.337 16.190 -16.060 1.00 0.00 H new TER 256 THR A 15