USER MOD reduce.3.24.130724 H: found=0, std=0, add=126, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 136 hydrogens (60 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 1 THR H1 : A 1 THR N : A 14 PRO C :(NH2R) USER MOD NoAdj-H: A 1 THR H2 : A 1 THR N : A 14 PRO C :(NH2R) USER MOD NoAdj-H: A 4 DAB H2 : A 4 DAB N : A 3 LEU C :(H bumps) USER MOD NoAdj-H: A 4 DAB H : A 4 DAB N : A 3 LEU C :(H bumps) USER MOD NoAdj-H: A 5 ORN H2 : A 5 ORN N : A 4 DAB C :(H bumps) USER MOD NoAdj-H: A 5 ORN H : A 5 ORN N : A 4 DAB C :(H bumps) USER MOD NoAdj-H: A 6 DLY H2 : A 6 DLY N : A 5 ORN C :(H bumps) USER MOD NoAdj-H: A 6 DLY H : A 6 DLY N : A 5 ORN C :(H bumps) USER MOD NoAdj-H: A 9 ORN H2 : A 9 ORN N : A 8 TRP C :(H bumps) USER MOD NoAdj-H: A 9 ORN H : A 9 ORN N : A 8 TRP C :(H bumps) USER MOD NoAdj-H: A 10 DAB H2 : A 10 DAB N : A 9 ORN C :(H bumps) USER MOD NoAdj-H: A 10 DAB H : A 10 DAB N : A 9 ORN C :(H bumps) USER MOD NoAdj-H: A 13 DPR H : A 13 DPR N : A 12 LYS C :(H bumps) USER MOD Single : A 1 THR N :NH3+ 149:sc= 0.108 (180deg=-0.00565) USER MOD Single : A 1 THR OG1 : rot -168:sc= -3.57! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -8.990 -0.504 -2.991 1.00 0.00 N ATOM 2 CA THR A 1 -7.809 0.253 -2.612 1.00 0.00 C ATOM 3 C THR A 1 -6.703 -0.688 -2.130 1.00 0.00 C ATOM 4 O THR A 1 -6.846 -1.908 -2.203 1.00 0.00 O ATOM 5 CB THR A 1 -8.226 1.287 -1.564 1.00 0.00 C ATOM 6 OG1 THR A 1 -9.416 1.862 -2.100 1.00 0.00 O ATOM 7 CG2 THR A 1 -7.250 2.461 -1.479 1.00 0.00 C ATOM 0 H3 THR A 1 -9.841 0.066 -2.810 1.00 0.00 H new ATOM 0 HA THR A 1 -7.390 0.785 -3.466 1.00 0.00 H new ATOM 0 HB THR A 1 -8.300 0.806 -0.588 1.00 0.00 H new ATOM 0 HG1 THR A 1 -9.650 2.665 -1.589 1.00 0.00 H new ATOM 0 HG21 THR A 1 -7.593 3.165 -0.721 1.00 0.00 H new ATOM 0 HG22 THR A 1 -6.260 2.092 -1.211 1.00 0.00 H new ATOM 0 HG23 THR A 1 -7.201 2.964 -2.445 1.00 0.00 H new ATOM 15 N TRP A 2 -5.627 -0.086 -1.648 1.00 0.00 N ATOM 16 CA TRP A 2 -4.497 -0.855 -1.153 1.00 0.00 C ATOM 17 C TRP A 2 -3.808 -0.035 -0.060 1.00 0.00 C ATOM 18 O TRP A 2 -3.711 1.187 -0.165 1.00 0.00 O ATOM 19 CB TRP A 2 -3.555 -1.240 -2.295 1.00 0.00 C ATOM 20 CG TRP A 2 -3.786 -2.650 -2.845 1.00 0.00 C ATOM 21 CD1 TRP A 2 -4.782 -3.074 -3.635 1.00 0.00 C ATOM 22 CD2 TRP A 2 -2.960 -3.810 -2.612 1.00 0.00 C ATOM 23 NE1 TRP A 2 -4.659 -4.416 -3.927 1.00 0.00 N ATOM 24 CE2 TRP A 2 -3.516 -4.878 -3.285 1.00 0.00 C ATOM 25 CE3 TRP A 2 -1.782 -3.952 -1.857 1.00 0.00 C ATOM 26 CZ2 TRP A 2 -2.963 -6.165 -3.271 1.00 0.00 C ATOM 27 CZ3 TRP A 2 -1.241 -5.243 -1.853 1.00 0.00 C ATOM 28 CH2 TRP A 2 -1.790 -6.330 -2.525 1.00 0.00 C ATOM 0 H TRP A 2 -5.513 0.926 -1.589 1.00 0.00 H new ATOM 0 HA TRP A 2 -4.832 -1.798 -0.721 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -3.671 -0.521 -3.106 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -2.526 -1.162 -1.945 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -5.581 -2.444 -3.997 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -5.291 -4.968 -4.507 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -1.330 -3.130 -1.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -3.417 -6.986 -3.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -0.335 -5.406 -1.289 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -1.313 -7.298 -2.471 1.00 0.00 H new ATOM 39 N LEU A 3 -3.350 -0.739 0.964 1.00 0.00 N ATOM 40 CA LEU A 3 -2.673 -0.092 2.074 1.00 0.00 C ATOM 41 C LEU A 3 -1.179 0.023 1.759 1.00 0.00 C ATOM 42 O LEU A 3 -0.382 -0.847 2.094 1.00 0.00 O ATOM 43 CB LEU A 3 -2.970 -0.826 3.384 1.00 0.00 C ATOM 44 CG LEU A 3 -3.974 -0.148 4.319 1.00 0.00 C ATOM 45 CD1 LEU A 3 -4.619 -1.167 5.261 1.00 0.00 C ATOM 46 CD2 LEU A 3 -3.322 1.006 5.081 1.00 0.00 C ATOM 0 H LEU A 3 -3.435 -1.752 1.048 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.049 0.922 2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.343 -1.822 3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.032 -0.958 3.924 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.772 0.279 3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.328 -0.660 5.915 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.142 -1.923 4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.847 -1.645 5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.058 1.470 5.738 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.492 0.626 5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.951 1.746 4.372 1.00 0.00 H new HETATM 58 N DAB A 4 -0.815 1.163 1.083 1.00 0.00 N HETATM 59 CA DAB A 4 0.566 1.470 0.721 1.00 0.00 C HETATM 60 C DAB A 4 1.224 2.021 1.993 1.00 0.00 C HETATM 61 O DAB A 4 0.596 2.861 2.633 1.00 0.00 O HETATM 62 CB DAB A 4 0.658 2.530 -0.386 1.00 0.00 C HETATM 63 CG DAB A 4 2.054 3.121 -0.525 1.00 0.00 C HETATM 64 ND DAB A 4 2.573 2.833 -1.889 1.00 0.00 N HETATM 0 HG3 DAB A 4 2.025 4.197 -0.353 1.00 0.00 H new HETATM 0 HG2 DAB A 4 2.718 2.696 0.227 1.00 0.00 H new HETATM 0 HD2 DAB A 4 3.501 3.157 -2.160 1.00 0.00 H new HETATM 0 HD1 DAB A 4 2.000 2.312 -2.553 1.00 0.00 H new HETATM 0 HB3 DAB A 4 0.362 2.084 -1.335 1.00 0.00 H new HETATM 0 HB2 DAB A 4 -0.051 3.331 -0.175 1.00 0.00 H new HETATM 0 HA DAB A 4 1.054 0.573 0.341 1.00 0.00 H new HETATM 74 N ORN A 5 2.486 1.589 2.331 1.00 0.00 N HETATM 75 CA ORN A 5 3.198 2.098 3.499 1.00 0.00 C HETATM 76 CB ORN A 5 2.623 1.488 4.786 1.00 0.00 C HETATM 77 CG ORN A 5 2.826 2.373 6.019 1.00 0.00 C HETATM 78 CD ORN A 5 3.889 1.783 6.938 1.00 0.00 C HETATM 79 NE ORN A 5 3.259 1.376 8.217 1.00 0.00 N HETATM 80 C ORN A 5 4.669 1.702 3.318 1.00 0.00 C HETATM 81 O ORN A 5 5.122 0.688 3.847 1.00 0.00 O HETATM 0 HG3 ORN A 5 3.122 3.375 5.709 1.00 0.00 H new HETATM 0 HG2 ORN A 5 1.885 2.472 6.560 1.00 0.00 H new HETATM 0 HE2 ORN A 5 3.826 0.958 8.955 1.00 0.00 H new HETATM 0 HE1 ORN A 5 2.258 1.513 8.359 1.00 0.00 H new HETATM 0 HD3 ORN A 5 4.361 0.924 6.462 1.00 0.00 H new HETATM 0 HD2 ORN A 5 4.674 2.516 7.123 1.00 0.00 H new HETATM 0 HB3 ORN A 5 1.557 1.307 4.649 1.00 0.00 H new HETATM 0 HB2 ORN A 5 3.091 0.519 4.961 1.00 0.00 H new HETATM 0 HA ORN A 5 3.094 3.180 3.586 1.00 0.00 H new HETATM 93 N DLY A 6 5.375 2.543 2.578 1.00 0.00 N HETATM 94 CA DLY A 6 6.790 2.317 2.332 1.00 0.00 C HETATM 95 C DLY A 6 6.951 1.239 1.259 1.00 0.00 C HETATM 96 O DLY A 6 6.278 1.278 0.229 1.00 0.00 O HETATM 97 CB DLY A 6 7.491 3.633 1.992 1.00 0.00 C HETATM 98 CG DLY A 6 8.644 3.907 2.960 1.00 0.00 C HETATM 99 CD DLY A 6 9.242 5.294 2.723 1.00 0.00 C HETATM 100 CE DLY A 6 8.861 6.256 3.852 1.00 0.00 C HETATM 101 NZ DLY A 6 7.526 6.845 3.604 1.00 0.00 N HETATM 0 HZ2 DLY A 6 7.130 7.509 4.269 1.00 0.00 H new HETATM 0 HZ1 DLY A 6 7.002 6.587 2.768 1.00 0.00 H new HETATM 0 HG3 DLY A 6 8.287 3.832 3.987 1.00 0.00 H new HETATM 0 HG2 DLY A 6 9.416 3.148 2.835 1.00 0.00 H new HETATM 0 HE3 DLY A 6 8.860 5.726 4.804 1.00 0.00 H new HETATM 0 HE2 DLY A 6 9.606 7.048 3.929 1.00 0.00 H new HETATM 0 HD3 DLY A 6 10.327 5.219 2.655 1.00 0.00 H new HETATM 0 HD2 DLY A 6 8.889 5.688 1.770 1.00 0.00 H new HETATM 0 HB3 DLY A 6 7.870 3.594 0.971 1.00 0.00 H new HETATM 0 HB2 DLY A 6 6.774 4.453 2.034 1.00 0.00 H new HETATM 0 HA DLY A 6 7.279 1.946 3.233 1.00 0.00 H new ATOM 115 N ARG A 7 7.846 0.302 1.536 1.00 0.00 N ATOM 116 CA ARG A 7 8.103 -0.785 0.607 1.00 0.00 C ATOM 117 C ARG A 7 7.092 -1.914 0.817 1.00 0.00 C ATOM 118 O ARG A 7 7.268 -3.015 0.296 1.00 0.00 O ATOM 119 CB ARG A 7 9.519 -1.337 0.784 1.00 0.00 C ATOM 120 CG ARG A 7 10.368 -1.079 -0.462 1.00 0.00 C ATOM 121 CD ARG A 7 11.605 -1.980 -0.479 1.00 0.00 C ATOM 122 NE ARG A 7 12.065 -2.183 -1.871 1.00 0.00 N ATOM 123 CZ ARG A 7 13.218 -2.780 -2.202 1.00 0.00 C ATOM 124 NH1 ARG A 7 14.035 -3.236 -1.243 1.00 0.00 N ATOM 125 NH2 ARG A 7 13.553 -2.921 -3.492 1.00 0.00 N ATOM 0 H ARG A 7 8.402 0.273 2.391 1.00 0.00 H new ATOM 0 HA ARG A 7 8.004 -0.388 -0.403 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.989 -0.872 1.651 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.474 -2.408 0.982 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.771 -1.258 -1.356 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.675 -0.033 -0.487 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.401 -1.530 0.114 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.371 -2.941 -0.021 1.00 0.00 H new ATOM 0 HE ARG A 7 11.467 -1.847 -2.626 1.00 0.00 H new ATOM 0 HH11 ARG A 7 13.779 -3.129 -0.261 1.00 0.00 H new ATOM 0 HH12 ARG A 7 14.913 -3.691 -1.494 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.930 -2.574 -4.221 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.431 -3.375 -3.744 1.00 0.00 H new ATOM 139 N TRP A 8 6.056 -1.603 1.581 1.00 0.00 N ATOM 140 CA TRP A 8 5.017 -2.577 1.867 1.00 0.00 C ATOM 141 C TRP A 8 3.780 -2.204 1.047 1.00 0.00 C ATOM 142 O TRP A 8 3.755 -1.184 0.364 1.00 0.00 O ATOM 143 CB TRP A 8 4.737 -2.656 3.370 1.00 0.00 C ATOM 144 CG TRP A 8 4.133 -3.986 3.821 1.00 0.00 C ATOM 145 CD1 TRP A 8 4.732 -5.184 3.888 1.00 0.00 C ATOM 146 CD2 TRP A 8 2.780 -4.209 4.269 1.00 0.00 C ATOM 147 NE1 TRP A 8 3.867 -6.158 4.345 1.00 0.00 N ATOM 148 CE2 TRP A 8 2.642 -5.546 4.583 1.00 0.00 C ATOM 149 CE3 TRP A 8 1.706 -3.311 4.404 1.00 0.00 C ATOM 150 CZ2 TRP A 8 1.447 -6.104 5.053 1.00 0.00 C ATOM 151 CZ3 TRP A 8 0.519 -3.884 4.874 1.00 0.00 C ATOM 152 CH2 TRP A 8 0.364 -5.228 5.196 1.00 0.00 C ATOM 0 H TRP A 8 5.914 -0.689 2.011 1.00 0.00 H new ATOM 0 HA TRP A 8 5.337 -3.578 1.578 1.00 0.00 H new ATOM 0 HB2 TRP A 8 5.668 -2.489 3.912 1.00 0.00 H new ATOM 0 HB3 TRP A 8 4.059 -1.849 3.646 1.00 0.00 H new ATOM 0 HD1 TRP A 8 5.762 -5.364 3.618 1.00 0.00 H new ATOM 0 HE1 TRP A 8 4.086 -7.145 4.483 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.791 -2.261 4.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 1.365 -7.154 5.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -0.337 -3.237 4.995 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.587 -5.594 5.554 1.00 0.00 H new HETATM 163 N ORN A 9 2.730 -3.089 1.142 1.00 0.00 N HETATM 164 CA ORN A 9 1.475 -2.887 0.426 1.00 0.00 C HETATM 165 CB ORN A 9 1.735 -2.748 -1.082 1.00 0.00 C HETATM 166 CG ORN A 9 0.676 -1.911 -1.805 1.00 0.00 C HETATM 167 CD ORN A 9 1.318 -0.727 -2.518 1.00 0.00 C HETATM 168 NE ORN A 9 0.284 -0.004 -3.296 1.00 0.00 N HETATM 169 C ORN A 9 0.607 -4.118 0.716 1.00 0.00 C HETATM 170 O ORN A 9 0.992 -5.260 0.487 1.00 0.00 O HETATM 0 HG3 ORN A 9 0.145 -2.532 -2.527 1.00 0.00 H new HETATM 0 HG2 ORN A 9 -0.063 -1.553 -1.088 1.00 0.00 H new HETATM 0 HE2 ORN A 9 0.538 0.821 -3.839 1.00 0.00 H new HETATM 0 HE1 ORN A 9 -0.682 -0.331 -3.288 1.00 0.00 H new HETATM 0 HD3 ORN A 9 1.778 -0.057 -1.792 1.00 0.00 H new HETATM 0 HD2 ORN A 9 2.112 -1.073 -3.180 1.00 0.00 H new HETATM 0 HB3 ORN A 9 2.714 -2.293 -1.234 1.00 0.00 H new HETATM 0 HB2 ORN A 9 1.772 -3.741 -1.530 1.00 0.00 H new HETATM 0 HA ORN A 9 0.977 -1.973 0.750 1.00 0.00 H new HETATM 182 N DAB A 10 -0.635 -3.828 1.230 1.00 0.00 N HETATM 183 CA DAB A 10 -1.635 -4.849 1.526 1.00 0.00 C HETATM 184 C DAB A 10 -2.877 -4.476 0.704 1.00 0.00 C HETATM 185 O DAB A 10 -2.948 -3.313 0.311 1.00 0.00 O HETATM 186 CB DAB A 10 -2.014 -4.882 3.015 1.00 0.00 C HETATM 187 CG DAB A 10 -3.425 -5.403 3.253 1.00 0.00 C HETATM 188 ND DAB A 10 -3.658 -5.525 4.717 1.00 0.00 N HETATM 0 HG3 DAB A 10 -4.156 -4.725 2.811 1.00 0.00 H new HETATM 0 HG2 DAB A 10 -3.555 -6.371 2.770 1.00 0.00 H new HETATM 0 HD2 DAB A 10 -4.556 -5.862 5.064 1.00 0.00 H new HETATM 0 HD1 DAB A 10 -2.920 -5.272 5.374 1.00 0.00 H new HETATM 0 HB3 DAB A 10 -1.304 -5.511 3.552 1.00 0.00 H new HETATM 0 HB2 DAB A 10 -1.928 -3.878 3.430 1.00 0.00 H new HETATM 0 HA DAB A 10 -1.239 -5.834 1.279 1.00 0.00 H new ATOM 198 N ALA A 11 -3.810 -5.395 0.500 1.00 0.00 N ATOM 199 CA ALA A 11 -5.025 -5.078 -0.231 1.00 0.00 C ATOM 200 C ALA A 11 -6.190 -4.955 0.754 1.00 0.00 C ATOM 201 O ALA A 11 -6.225 -5.650 1.768 1.00 0.00 O ATOM 202 CB ALA A 11 -5.274 -6.147 -1.297 1.00 0.00 C ATOM 0 H ALA A 11 -3.749 -6.359 0.828 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.925 -4.122 -0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.186 -5.909 -1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.432 -6.175 -1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.382 -7.120 -0.818 1.00 0.00 H new ATOM 208 N LYS A 12 -7.114 -4.067 0.420 1.00 0.00 N ATOM 209 CA LYS A 12 -8.277 -3.845 1.263 1.00 0.00 C ATOM 210 C LYS A 12 -9.361 -3.134 0.450 1.00 0.00 C ATOM 211 O LYS A 12 -9.409 -1.913 0.293 1.00 0.00 O ATOM 212 CB LYS A 12 -7.879 -3.103 2.540 1.00 0.00 C ATOM 213 CG LYS A 12 -8.484 -3.773 3.775 1.00 0.00 C ATOM 214 CD LYS A 12 -9.000 -2.729 4.768 1.00 0.00 C ATOM 215 CE LYS A 12 -9.973 -3.358 5.768 1.00 0.00 C ATOM 216 NZ LYS A 12 -9.253 -4.263 6.692 1.00 0.00 N ATOM 0 H LYS A 12 -7.082 -3.493 -0.422 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.697 -4.795 1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.793 -3.082 2.629 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.214 -2.067 2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.301 -4.429 3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.734 -4.399 4.258 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.161 -2.284 5.302 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.498 -1.923 4.228 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.477 -2.576 6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.745 -3.912 5.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.928 -4.681 7.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.792 -5.020 6.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.533 -3.724 7.215 1.00 0.00 H new HETATM 230 N DPR A 13 -10.295 -3.952 -0.102 1.00 0.00 N HETATM 231 CA DPR A 13 -11.516 -3.427 -0.783 1.00 0.00 C HETATM 232 CB DPR A 13 -12.291 -4.742 -1.015 1.00 0.00 C HETATM 233 CG DPR A 13 -11.212 -5.804 -1.244 1.00 0.00 C HETATM 234 CD DPR A 13 -10.090 -5.406 -0.286 1.00 0.00 C HETATM 235 C DPR A 13 -11.248 -2.567 -2.071 1.00 0.00 C HETATM 236 O DPR A 13 -10.914 -3.080 -3.141 1.00 0.00 O HETATM 0 HG3 DPR A 13 -11.585 -6.805 -1.027 1.00 0.00 H new HETATM 0 HG2 DPR A 13 -10.870 -5.808 -2.279 1.00 0.00 H new HETATM 0 HD3 DPR A 13 -9.108 -5.623 -0.705 1.00 0.00 H new HETATM 0 HD2 DPR A 13 -10.159 -5.944 0.659 1.00 0.00 H new HETATM 0 HB3 DPR A 13 -12.913 -4.990 -0.155 1.00 0.00 H new HETATM 0 HB2 DPR A 13 -12.955 -4.662 -1.876 1.00 0.00 H new HETATM 0 HA DPR A 13 -12.065 -2.686 -0.203 1.00 0.00 H new ATOM 244 N PRO A 14 -11.431 -1.237 -1.953 1.00 0.00 N ATOM 245 CA PRO A 14 -11.397 -0.331 -3.131 1.00 0.00 C ATOM 246 C PRO A 14 -9.996 0.014 -3.742 1.00 0.00 C ATOM 247 O PRO A 14 -9.832 1.013 -4.434 1.00 0.00 O ATOM 248 CB PRO A 14 -12.183 0.883 -2.585 1.00 0.00 C ATOM 249 CG PRO A 14 -11.997 0.853 -1.062 1.00 0.00 C ATOM 250 CD PRO A 14 -11.946 -0.634 -0.711 1.00 0.00 C ATOM 0 HA PRO A 14 -11.824 -0.797 -4.019 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.805 1.815 -3.006 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.238 0.817 -2.851 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.081 1.363 -0.764 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.820 1.353 -0.552 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.290 -0.829 0.137 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.930 -1.023 -0.448 1.00 0.00 H new TER 258 PRO A 14