USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, 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 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+ 140:sc= 0.104 (180deg=0) USER MOD Single : A 1 THR OG1 : rot -43:sc= -2.64! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -9.457 -0.924 -2.944 1.00 0.00 N ATOM 2 CA THR A 1 -8.311 -0.035 -2.872 1.00 0.00 C ATOM 3 C THR A 1 -7.071 -0.798 -2.399 1.00 0.00 C ATOM 4 O THR A 1 -7.109 -2.018 -2.248 1.00 0.00 O ATOM 5 CB THR A 1 -8.682 1.141 -1.966 1.00 0.00 C ATOM 6 OG1 THR A 1 -9.976 1.532 -2.416 1.00 0.00 O ATOM 7 CG2 THR A 1 -7.811 2.374 -2.221 1.00 0.00 C ATOM 0 H3 THR A 1 -10.303 -0.429 -2.597 1.00 0.00 H new ATOM 0 HA THR A 1 -8.055 0.360 -3.855 1.00 0.00 H new ATOM 0 HB THR A 1 -8.588 0.839 -0.923 1.00 0.00 H new ATOM 0 HG1 THR A 1 -9.994 1.537 -3.396 1.00 0.00 H new ATOM 0 HG21 THR A 1 -8.116 3.179 -1.552 1.00 0.00 H new ATOM 0 HG22 THR A 1 -6.766 2.125 -2.037 1.00 0.00 H new ATOM 0 HG23 THR A 1 -7.931 2.696 -3.255 1.00 0.00 H new ATOM 15 N TRP A 2 -6.001 -0.048 -2.180 1.00 0.00 N ATOM 16 CA TRP A 2 -4.754 -0.639 -1.728 1.00 0.00 C ATOM 17 C TRP A 2 -4.062 0.366 -0.803 1.00 0.00 C ATOM 18 O TRP A 2 -4.322 1.566 -0.880 1.00 0.00 O ATOM 19 CB TRP A 2 -3.882 -1.056 -2.914 1.00 0.00 C ATOM 20 CG TRP A 2 -4.132 -2.487 -3.397 1.00 0.00 C ATOM 21 CD1 TRP A 2 -5.206 -2.965 -4.038 1.00 0.00 C ATOM 22 CD2 TRP A 2 -3.240 -3.611 -3.248 1.00 0.00 C ATOM 23 NE1 TRP A 2 -5.072 -4.312 -4.313 1.00 0.00 N ATOM 24 CE2 TRP A 2 -3.839 -4.716 -3.817 1.00 0.00 C ATOM 25 CE3 TRP A 2 -1.969 -3.693 -2.652 1.00 0.00 C ATOM 26 CZ2 TRP A 2 -3.241 -5.982 -3.847 1.00 0.00 C ATOM 27 CZ3 TRP A 2 -1.385 -4.964 -2.690 1.00 0.00 C ATOM 28 CH2 TRP A 2 -1.975 -6.086 -3.259 1.00 0.00 C ATOM 0 H TRP A 2 -5.972 0.964 -2.307 1.00 0.00 H new ATOM 0 HA TRP A 2 -4.943 -1.555 -1.169 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -4.058 -0.368 -3.741 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -2.833 -0.956 -2.634 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -6.068 -2.372 -4.306 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -5.753 -4.901 -4.792 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -1.482 -2.842 -2.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -3.730 -6.832 -4.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -0.407 -5.081 -2.246 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -1.459 -7.035 -3.248 1.00 0.00 H new ATOM 39 N LEU A 3 -3.196 -0.162 0.049 1.00 0.00 N ATOM 40 CA LEU A 3 -2.465 0.674 0.987 1.00 0.00 C ATOM 41 C LEU A 3 -1.030 0.857 0.490 1.00 0.00 C ATOM 42 O LEU A 3 -0.557 0.143 -0.390 1.00 0.00 O ATOM 43 CB LEU A 3 -2.558 0.099 2.401 1.00 0.00 C ATOM 44 CG LEU A 3 -3.828 0.440 3.183 1.00 0.00 C ATOM 45 CD1 LEU A 3 -4.856 -0.688 3.077 1.00 0.00 C ATOM 46 CD2 LEU A 3 -3.502 0.783 4.638 1.00 0.00 C ATOM 0 H LEU A 3 -2.984 -1.158 0.110 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.912 1.667 1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.476 -0.986 2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.699 0.451 2.972 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.276 1.328 2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.749 -0.421 3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.121 -0.842 2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.432 -1.606 3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.423 1.021 5.171 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.018 -0.070 5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.833 1.643 4.668 1.00 0.00 H new HETATM 58 N DAB A 4 -0.328 1.869 1.100 1.00 0.00 N HETATM 59 CA DAB A 4 1.064 2.178 0.787 1.00 0.00 C HETATM 60 C DAB A 4 1.739 2.500 2.128 1.00 0.00 C HETATM 61 O DAB A 4 1.384 3.525 2.703 1.00 0.00 O HETATM 62 CB DAB A 4 1.199 3.393 -0.144 1.00 0.00 C HETATM 63 CG DAB A 4 1.500 3.004 -1.584 1.00 0.00 C HETATM 64 ND DAB A 4 0.955 4.046 -2.495 1.00 0.00 N HETATM 0 HG3 DAB A 4 2.576 2.903 -1.729 1.00 0.00 H new HETATM 0 HG2 DAB A 4 1.055 2.035 -1.812 1.00 0.00 H new HETATM 0 HD2 DAB A 4 1.066 3.949 -3.504 1.00 0.00 H new HETATM 0 HD1 DAB A 4 0.471 4.857 -2.110 1.00 0.00 H new HETATM 0 HB3 DAB A 4 0.276 3.972 -0.115 1.00 0.00 H new HETATM 0 HB2 DAB A 4 1.993 4.041 0.226 1.00 0.00 H new HETATM 0 HA DAB A 4 1.520 1.333 0.271 1.00 0.00 H new HETATM 0 H DAB A 4 -0.652 1.900 2.067 1.00 0.00 H new HETATM 74 N ORN A 5 2.726 1.661 2.594 1.00 0.00 N HETATM 75 CA ORN A 5 3.447 1.924 3.836 1.00 0.00 C HETATM 76 CB ORN A 5 2.733 1.255 5.021 1.00 0.00 C HETATM 77 CG ORN A 5 2.568 2.182 6.230 1.00 0.00 C HETATM 78 CD ORN A 5 2.574 1.383 7.527 1.00 0.00 C HETATM 79 NE ORN A 5 1.253 0.736 7.711 1.00 0.00 N HETATM 80 C ORN A 5 4.854 1.344 3.651 1.00 0.00 C HETATM 81 O ORN A 5 5.132 0.213 4.047 1.00 0.00 O HETATM 0 HG3 ORN A 5 3.375 2.915 6.245 1.00 0.00 H new HETATM 0 HG2 ORN A 5 1.634 2.737 6.144 1.00 0.00 H new HETATM 0 HE2 ORN A 5 1.078 0.158 8.533 1.00 0.00 H new HETATM 0 HE1 ORN A 5 0.519 0.869 7.016 1.00 0.00 H new HETATM 0 HD3 ORN A 5 3.360 0.629 7.499 1.00 0.00 H new HETATM 0 HD2 ORN A 5 2.791 2.039 8.370 1.00 0.00 H new HETATM 0 HB3 ORN A 5 1.750 0.912 4.698 1.00 0.00 H new HETATM 0 HB2 ORN A 5 3.295 0.371 5.323 1.00 0.00 H new HETATM 0 HA ORN A 5 3.491 2.992 4.051 1.00 0.00 H new HETATM 93 N DLY A 6 5.711 2.165 3.062 1.00 0.00 N HETATM 94 CA DLY A 6 7.090 1.769 2.835 1.00 0.00 C HETATM 95 C DLY A 6 7.136 0.691 1.751 1.00 0.00 C HETATM 96 O DLY A 6 6.576 0.869 0.670 1.00 0.00 O HETATM 97 CB DLY A 6 7.955 2.993 2.521 1.00 0.00 C HETATM 98 CG DLY A 6 8.476 3.640 3.806 1.00 0.00 C HETATM 99 CD DLY A 6 9.254 4.921 3.499 1.00 0.00 C HETATM 100 CE DLY A 6 10.086 5.359 4.705 1.00 0.00 C HETATM 101 NZ DLY A 6 11.530 5.315 4.382 1.00 0.00 N HETATM 0 HZ2 DLY A 6 12.218 5.580 5.086 1.00 0.00 H new HETATM 0 HZ1 DLY A 6 11.836 5.020 3.455 1.00 0.00 H new HETATM 0 HG3 DLY A 6 7.640 3.868 4.467 1.00 0.00 H new HETATM 0 HG2 DLY A 6 9.120 2.938 4.336 1.00 0.00 H new HETATM 0 HE3 DLY A 6 9.804 6.369 5.001 1.00 0.00 H new HETATM 0 HE2 DLY A 6 9.877 4.708 5.554 1.00 0.00 H new HETATM 0 HD3 DLY A 6 9.907 4.757 2.642 1.00 0.00 H new HETATM 0 HD2 DLY A 6 8.560 5.715 3.224 1.00 0.00 H new HETATM 0 HB3 DLY A 6 8.795 2.698 1.892 1.00 0.00 H new HETATM 0 HB2 DLY A 6 7.372 3.719 1.954 1.00 0.00 H new HETATM 0 HA DLY A 6 7.513 1.331 3.739 1.00 0.00 H new ATOM 115 N ARG A 7 7.806 -0.404 2.076 1.00 0.00 N ATOM 116 CA ARG A 7 7.932 -1.511 1.144 1.00 0.00 C ATOM 117 C ARG A 7 6.700 -2.414 1.224 1.00 0.00 C ATOM 118 O ARG A 7 6.694 -3.514 0.672 1.00 0.00 O ATOM 119 CB ARG A 7 9.183 -2.340 1.439 1.00 0.00 C ATOM 120 CG ARG A 7 10.183 -2.253 0.283 1.00 0.00 C ATOM 121 CD ARG A 7 11.165 -3.427 0.318 1.00 0.00 C ATOM 122 NE ARG A 7 10.855 -4.379 -0.772 1.00 0.00 N ATOM 123 CZ ARG A 7 11.695 -5.331 -1.198 1.00 0.00 C ATOM 124 NH1 ARG A 7 12.901 -5.465 -0.630 1.00 0.00 N ATOM 125 NH2 ARG A 7 11.329 -6.150 -2.194 1.00 0.00 N ATOM 0 H ARG A 7 8.268 -0.549 2.974 1.00 0.00 H new ATOM 0 HA ARG A 7 8.016 -1.092 0.141 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.651 -1.985 2.357 1.00 0.00 H new ATOM 0 HB3 ARG A 7 8.904 -3.380 1.605 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.648 -2.250 -0.666 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.732 -1.313 0.342 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.186 -3.061 0.213 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.106 -3.933 1.282 1.00 0.00 H new ATOM 0 HE ARG A 7 9.945 -4.305 -1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 7 13.180 -4.842 0.128 1.00 0.00 H new ATOM 0 HH12 ARG A 7 13.540 -6.190 -0.955 1.00 0.00 H new ATOM 0 HH21 ARG A 7 10.411 -6.048 -2.627 1.00 0.00 H new ATOM 0 HH22 ARG A 7 11.968 -6.875 -2.519 1.00 0.00 H new ATOM 139 N TRP A 8 5.684 -1.916 1.915 1.00 0.00 N ATOM 140 CA TRP A 8 4.449 -2.665 2.073 1.00 0.00 C ATOM 141 C TRP A 8 3.331 -1.882 1.383 1.00 0.00 C ATOM 142 O TRP A 8 3.406 -0.668 1.229 1.00 0.00 O ATOM 143 CB TRP A 8 4.161 -2.941 3.551 1.00 0.00 C ATOM 144 CG TRP A 8 3.424 -4.256 3.806 1.00 0.00 C ATOM 145 CD1 TRP A 8 3.891 -5.505 3.666 1.00 0.00 C ATOM 146 CD2 TRP A 8 2.060 -4.404 4.254 1.00 0.00 C ATOM 147 NE1 TRP A 8 2.931 -6.443 3.990 1.00 0.00 N ATOM 148 CE2 TRP A 8 1.783 -5.753 4.359 1.00 0.00 C ATOM 149 CE3 TRP A 8 1.093 -3.432 4.561 1.00 0.00 C ATOM 150 CZ2 TRP A 8 0.541 -6.250 4.771 1.00 0.00 C ATOM 151 CZ3 TRP A 8 -0.144 -3.946 4.971 1.00 0.00 C ATOM 152 CH2 TRP A 8 -0.438 -5.300 5.082 1.00 0.00 C ATOM 0 H TRP A 8 5.691 -1.004 2.371 1.00 0.00 H new ATOM 0 HA TRP A 8 4.529 -3.645 1.604 1.00 0.00 H new ATOM 0 HB2 TRP A 8 5.104 -2.953 4.098 1.00 0.00 H new ATOM 0 HB3 TRP A 8 3.568 -2.120 3.955 1.00 0.00 H new ATOM 0 HD1 TRP A 8 4.892 -5.747 3.341 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.044 -7.456 3.963 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.288 -2.372 4.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.349 -7.310 4.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -0.924 -3.241 5.218 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.418 -5.617 5.407 1.00 0.00 H new HETATM 163 N ORN A 9 2.263 -2.643 0.961 1.00 0.00 N HETATM 164 CA ORN A 9 1.111 -2.059 0.283 1.00 0.00 C HETATM 165 CB ORN A 9 1.274 -2.166 -1.241 1.00 0.00 C HETATM 166 CG ORN A 9 2.025 -3.425 -1.682 1.00 0.00 C HETATM 167 CD ORN A 9 3.176 -3.068 -2.614 1.00 0.00 C HETATM 168 NE ORN A 9 4.280 -4.039 -2.425 1.00 0.00 N HETATM 169 C ORN A 9 -0.117 -2.848 0.756 1.00 0.00 C HETATM 170 O ORN A 9 -1.010 -2.334 1.422 1.00 0.00 O HETATM 0 HG3 ORN A 9 2.409 -3.951 -0.807 1.00 0.00 H new HETATM 0 HG2 ORN A 9 1.339 -4.105 -2.187 1.00 0.00 H new HETATM 0 HE2 ORN A 9 5.136 -3.951 -2.972 1.00 0.00 H new HETATM 0 HE1 ORN A 9 4.183 -4.796 -1.748 1.00 0.00 H new HETATM 0 HD3 ORN A 9 2.838 -3.082 -3.650 1.00 0.00 H new HETATM 0 HD2 ORN A 9 3.526 -2.057 -2.407 1.00 0.00 H new HETATM 0 HB3 ORN A 9 0.288 -2.157 -1.706 1.00 0.00 H new HETATM 0 HB2 ORN A 9 1.806 -1.287 -1.605 1.00 0.00 H new HETATM 0 HA ORN A 9 1.008 -1.000 0.519 1.00 0.00 H new HETATM 182 N DAB A 10 -0.116 -4.173 0.388 1.00 0.00 N HETATM 183 CA DAB A 10 -1.163 -5.112 0.781 1.00 0.00 C HETATM 184 C DAB A 10 -2.466 -4.569 0.176 1.00 0.00 C HETATM 185 O DAB A 10 -2.469 -3.383 -0.148 1.00 0.00 O HETATM 186 CB DAB A 10 -1.321 -5.205 2.306 1.00 0.00 C HETATM 187 CG DAB A 10 -2.492 -6.082 2.726 1.00 0.00 C HETATM 188 ND DAB A 10 -2.289 -7.455 2.194 1.00 0.00 N HETATM 0 HG3 DAB A 10 -2.571 -6.108 3.813 1.00 0.00 H new HETATM 0 HG2 DAB A 10 -3.427 -5.667 2.348 1.00 0.00 H new HETATM 0 HD2 DAB A 10 -2.981 -8.181 2.379 1.00 0.00 H new HETATM 0 HD1 DAB A 10 -1.458 -7.671 1.644 1.00 0.00 H new HETATM 0 HB3 DAB A 10 -0.402 -5.602 2.738 1.00 0.00 H new HETATM 0 HB2 DAB A 10 -1.458 -4.204 2.714 1.00 0.00 H new HETATM 0 HA DAB A 10 -0.913 -6.113 0.428 1.00 0.00 H new ATOM 198 N ALA A 11 -3.511 -5.378 0.077 1.00 0.00 N ATOM 199 CA ALA A 11 -4.780 -4.900 -0.443 1.00 0.00 C ATOM 200 C ALA A 11 -5.774 -4.746 0.710 1.00 0.00 C ATOM 201 O ALA A 11 -5.580 -5.318 1.782 1.00 0.00 O ATOM 202 CB ALA A 11 -5.284 -5.859 -1.523 1.00 0.00 C ATOM 0 H ALA A 11 -3.504 -6.361 0.348 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.659 -3.921 -0.907 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.236 -5.500 -1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.556 -5.910 -2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.419 -6.852 -1.094 1.00 0.00 H new ATOM 208 N LYS A 12 -6.816 -3.970 0.452 1.00 0.00 N ATOM 209 CA LYS A 12 -7.841 -3.734 1.455 1.00 0.00 C ATOM 210 C LYS A 12 -9.087 -3.161 0.779 1.00 0.00 C ATOM 211 O LYS A 12 -9.227 -1.970 0.496 1.00 0.00 O ATOM 212 CB LYS A 12 -7.295 -2.857 2.582 1.00 0.00 C ATOM 213 CG LYS A 12 -7.720 -3.393 3.950 1.00 0.00 C ATOM 214 CD LYS A 12 -7.866 -2.258 4.965 1.00 0.00 C ATOM 215 CE LYS A 12 -8.636 -2.723 6.202 1.00 0.00 C ATOM 216 NZ LYS A 12 -10.092 -2.717 5.939 1.00 0.00 N ATOM 0 H LYS A 12 -6.973 -3.496 -0.438 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.136 -4.672 1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.207 -2.820 2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.656 -1.836 2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.666 -3.926 3.857 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.983 -4.112 4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.880 -1.900 5.260 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.385 -1.418 4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.315 -3.727 6.481 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.410 -2.070 7.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.600 -3.035 6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.397 -1.753 5.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.305 -3.358 5.148 1.00 0.00 H new HETATM 230 N DPR A 13 -10.061 -4.070 0.501 1.00 0.00 N HETATM 231 CA DPR A 13 -11.409 -3.669 0.001 1.00 0.00 C HETATM 232 CB DPR A 13 -12.150 -5.022 0.087 1.00 0.00 C HETATM 233 CG DPR A 13 -11.080 -6.079 -0.204 1.00 0.00 C HETATM 234 CD DPR A 13 -9.823 -5.529 0.468 1.00 0.00 C HETATM 235 C DPR A 13 -11.422 -2.983 -1.414 1.00 0.00 C HETATM 236 O DPR A 13 -11.271 -3.627 -2.454 1.00 0.00 O HETATM 0 HG3 DPR A 13 -11.358 -7.051 0.204 1.00 0.00 H new HETATM 0 HG2 DPR A 13 -10.933 -6.214 -1.276 1.00 0.00 H new HETATM 0 HD3 DPR A 13 -8.924 -5.777 -0.097 1.00 0.00 H new HETATM 0 HD2 DPR A 13 -9.692 -5.937 1.470 1.00 0.00 H new HETATM 0 HB3 DPR A 13 -12.591 -5.168 1.073 1.00 0.00 H new HETATM 0 HB2 DPR A 13 -12.963 -5.074 -0.637 1.00 0.00 H new HETATM 0 HA DPR A 13 -11.878 -2.870 0.576 1.00 0.00 H new ATOM 244 N PRO A 14 -11.635 -1.652 -1.433 1.00 0.00 N ATOM 245 CA PRO A 14 -11.859 -0.909 -2.702 1.00 0.00 C ATOM 246 C PRO A 14 -10.608 -0.608 -3.597 1.00 0.00 C ATOM 247 O PRO A 14 -10.635 0.273 -4.449 1.00 0.00 O ATOM 248 CB PRO A 14 -12.599 0.342 -2.177 1.00 0.00 C ATOM 249 CG PRO A 14 -12.143 0.520 -0.722 1.00 0.00 C ATOM 250 CD PRO A 14 -11.952 -0.905 -0.204 1.00 0.00 C ATOM 0 HA PRO A 14 -12.411 -1.499 -3.433 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -12.353 1.220 -2.774 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.679 0.210 -2.234 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.216 1.091 -0.663 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.887 1.059 -0.136 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.146 -0.966 0.527 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.852 -1.284 0.281 1.00 0.00 H new TER 258 PRO A 14