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 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 13 DPR H : A 13 DPR N : A 12 LYS C :(H bumps) USER MOD Single : A 1 THR N :NH3+ 148:sc= 0.119 (180deg=-0.0103) USER MOD Single : A 1 THR OG1 : rot -160:sc= -3.32! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -9.054 -0.436 -2.928 1.00 0.00 N ATOM 2 CA THR A 1 -7.889 0.341 -2.543 1.00 0.00 C ATOM 3 C THR A 1 -6.741 -0.585 -2.135 1.00 0.00 C ATOM 4 O THR A 1 -6.846 -1.803 -2.265 1.00 0.00 O ATOM 5 CB THR A 1 -8.312 1.309 -1.435 1.00 0.00 C ATOM 6 OG1 THR A 1 -9.534 1.867 -1.910 1.00 0.00 O ATOM 7 CG2 THR A 1 -7.373 2.511 -1.319 1.00 0.00 C ATOM 0 H3 THR A 1 -9.918 0.089 -2.683 1.00 0.00 H new ATOM 0 HA THR A 1 -7.510 0.927 -3.380 1.00 0.00 H new ATOM 0 HB THR A 1 -8.344 0.780 -0.483 1.00 0.00 H new ATOM 0 HG1 THR A 1 -9.715 2.707 -1.439 1.00 0.00 H new ATOM 0 HG21 THR A 1 -7.718 3.166 -0.519 1.00 0.00 H new ATOM 0 HG22 THR A 1 -6.364 2.164 -1.095 1.00 0.00 H new ATOM 0 HG23 THR A 1 -7.367 3.060 -2.260 1.00 0.00 H new ATOM 15 N TRP A 2 -5.671 0.030 -1.650 1.00 0.00 N ATOM 16 CA TRP A 2 -4.505 -0.724 -1.223 1.00 0.00 C ATOM 17 C TRP A 2 -3.816 0.064 -0.106 1.00 0.00 C ATOM 18 O TRP A 2 -3.728 1.289 -0.170 1.00 0.00 O ATOM 19 CB TRP A 2 -3.580 -1.019 -2.405 1.00 0.00 C ATOM 20 CG TRP A 2 -3.733 -2.431 -2.977 1.00 0.00 C ATOM 21 CD1 TRP A 2 -4.649 -2.872 -3.850 1.00 0.00 C ATOM 22 CD2 TRP A 2 -2.903 -3.573 -2.680 1.00 0.00 C ATOM 23 NE1 TRP A 2 -4.471 -4.211 -4.134 1.00 0.00 N ATOM 24 CE2 TRP A 2 -3.376 -4.651 -3.400 1.00 0.00 C ATOM 25 CE3 TRP A 2 -1.791 -3.693 -1.828 1.00 0.00 C ATOM 26 CZ2 TRP A 2 -2.797 -5.924 -3.344 1.00 0.00 C ATOM 27 CZ3 TRP A 2 -1.223 -4.972 -1.783 1.00 0.00 C ATOM 28 CH2 TRP A 2 -1.687 -6.067 -2.504 1.00 0.00 C ATOM 0 H TRP A 2 -5.588 1.041 -1.544 1.00 0.00 H new ATOM 0 HA TRP A 2 -4.797 -1.699 -0.832 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -3.775 -0.294 -3.196 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -2.547 -0.876 -2.089 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -5.428 -2.258 -4.277 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -5.039 -4.774 -4.767 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -1.405 -2.864 -1.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -3.186 -6.752 -3.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -0.365 -5.118 -1.144 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -1.193 -7.023 -2.416 1.00 0.00 H new ATOM 39 N LEU A 3 -3.347 -0.672 0.891 1.00 0.00 N ATOM 40 CA LEU A 3 -2.668 -0.057 2.019 1.00 0.00 C ATOM 41 C LEU A 3 -1.158 -0.089 1.779 1.00 0.00 C ATOM 42 O LEU A 3 -0.429 -0.883 2.366 1.00 0.00 O ATOM 43 CB LEU A 3 -3.097 -0.722 3.329 1.00 0.00 C ATOM 44 CG LEU A 3 -4.524 -0.427 3.795 1.00 0.00 C ATOM 45 CD1 LEU A 3 -5.063 -1.564 4.666 1.00 0.00 C ATOM 46 CD2 LEU A 3 -4.600 0.926 4.505 1.00 0.00 C ATOM 0 H LEU A 3 -3.424 -1.688 0.941 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.954 0.991 2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.988 -1.801 3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.408 -0.411 4.114 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.165 -0.365 2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.079 -1.329 4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.068 -2.491 4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.427 -1.683 5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.625 1.111 4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.943 0.918 5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.286 1.714 3.821 1.00 0.00 H new HETATM 58 N DAB A 4 -0.695 0.830 0.868 1.00 0.00 N HETATM 59 CA DAB A 4 0.718 0.978 0.528 1.00 0.00 C HETATM 60 C DAB A 4 1.333 1.836 1.642 1.00 0.00 C HETATM 61 O DAB A 4 0.862 2.957 1.813 1.00 0.00 O HETATM 62 CB DAB A 4 0.925 1.687 -0.818 1.00 0.00 C HETATM 63 CG DAB A 4 0.869 0.731 -2.003 1.00 0.00 C HETATM 64 ND DAB A 4 0.976 1.512 -3.264 1.00 0.00 N HETATM 0 HG3 DAB A 4 1.680 0.006 -1.940 1.00 0.00 H new HETATM 0 HG2 DAB A 4 -0.064 0.167 -1.988 1.00 0.00 H new HETATM 0 HD2 DAB A 4 0.956 1.033 -4.164 1.00 0.00 H new HETATM 0 HD1 DAB A 4 1.069 2.527 -3.229 1.00 0.00 H new HETATM 0 HB3 DAB A 4 0.161 2.455 -0.940 1.00 0.00 H new HETATM 0 HB2 DAB A 4 1.890 2.195 -0.812 1.00 0.00 H new HETATM 0 HA DAB A 4 1.180 -0.005 0.440 1.00 0.00 H new HETATM 74 N ORN A 5 2.396 1.335 2.358 1.00 0.00 N HETATM 75 CA ORN A 5 3.065 2.106 3.401 1.00 0.00 C HETATM 76 CB ORN A 5 2.497 1.746 4.782 1.00 0.00 C HETATM 77 CG ORN A 5 2.493 2.924 5.761 1.00 0.00 C HETATM 78 CD ORN A 5 2.215 2.446 7.181 1.00 0.00 C HETATM 79 NE ORN A 5 0.762 2.191 7.336 1.00 0.00 N HETATM 80 C ORN A 5 4.555 1.751 3.315 1.00 0.00 C HETATM 81 O ORN A 5 5.020 0.806 3.952 1.00 0.00 O HETATM 0 HG3 ORN A 5 3.455 3.435 5.726 1.00 0.00 H new HETATM 0 HG2 ORN A 5 1.736 3.649 5.462 1.00 0.00 H new HETATM 0 HE2 ORN A 5 0.394 1.863 8.229 1.00 0.00 H new HETATM 0 HE1 ORN A 5 0.131 2.344 6.550 1.00 0.00 H new HETATM 0 HD3 ORN A 5 2.780 1.537 7.388 1.00 0.00 H new HETATM 0 HD2 ORN A 5 2.543 3.196 7.900 1.00 0.00 H new HETATM 0 HB3 ORN A 5 1.478 1.378 4.663 1.00 0.00 H new HETATM 0 HB2 ORN A 5 3.083 0.931 5.207 1.00 0.00 H new HETATM 0 HA ORN A 5 2.911 3.176 3.263 1.00 0.00 H new HETATM 93 N DLY A 6 5.264 2.548 2.530 1.00 0.00 N HETATM 94 CA DLY A 6 6.694 2.354 2.363 1.00 0.00 C HETATM 95 C DLY A 6 6.937 1.273 1.307 1.00 0.00 C HETATM 96 O DLY A 6 6.314 1.285 0.246 1.00 0.00 O HETATM 97 CB DLY A 6 7.382 3.685 2.050 1.00 0.00 C HETATM 98 CG DLY A 6 8.291 4.116 3.203 1.00 0.00 C HETATM 99 CD DLY A 6 8.763 5.559 3.018 1.00 0.00 C HETATM 100 CE DLY A 6 7.821 6.539 3.720 1.00 0.00 C HETATM 101 NZ DLY A 6 8.158 7.933 3.357 1.00 0.00 N HETATM 0 HZ2 DLY A 6 7.618 8.706 3.746 1.00 0.00 H new HETATM 0 HZ1 DLY A 6 8.930 8.121 2.718 1.00 0.00 H new HETATM 0 HG3 DLY A 6 7.755 4.023 4.148 1.00 0.00 H new HETATM 0 HG2 DLY A 6 9.153 3.452 3.259 1.00 0.00 H new HETATM 0 HE3 DLY A 6 6.789 6.324 3.441 1.00 0.00 H new HETATM 0 HE2 DLY A 6 7.893 6.411 4.800 1.00 0.00 H new HETATM 0 HD3 DLY A 6 9.771 5.669 3.417 1.00 0.00 H new HETATM 0 HD2 DLY A 6 8.813 5.795 1.955 1.00 0.00 H new HETATM 0 HB3 DLY A 6 7.968 3.590 1.136 1.00 0.00 H new HETATM 0 HB2 DLY A 6 6.630 4.453 1.868 1.00 0.00 H new HETATM 0 HA DLY A 6 7.142 2.000 3.292 1.00 0.00 H new ATOM 115 N ARG A 7 7.845 0.366 1.635 1.00 0.00 N ATOM 116 CA ARG A 7 8.178 -0.720 0.728 1.00 0.00 C ATOM 117 C ARG A 7 7.190 -1.876 0.897 1.00 0.00 C ATOM 118 O ARG A 7 7.412 -2.968 0.378 1.00 0.00 O ATOM 119 CB ARG A 7 9.598 -1.232 0.979 1.00 0.00 C ATOM 120 CG ARG A 7 10.499 -0.966 -0.229 1.00 0.00 C ATOM 121 CD ARG A 7 11.722 -1.885 -0.214 1.00 0.00 C ATOM 122 NE ARG A 7 11.636 -2.859 -1.327 1.00 0.00 N ATOM 123 CZ ARG A 7 11.945 -2.575 -2.600 1.00 0.00 C ATOM 124 NH1 ARG A 7 12.362 -1.345 -2.928 1.00 0.00 N ATOM 125 NH2 ARG A 7 11.837 -3.521 -3.542 1.00 0.00 N ATOM 0 H ARG A 7 8.360 0.360 2.515 1.00 0.00 H new ATOM 0 HA ARG A 7 8.118 -0.332 -0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.013 -0.745 1.861 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.571 -2.301 1.188 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.935 -1.120 -1.149 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.822 0.075 -0.224 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.633 -1.294 -0.307 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.780 -2.412 0.738 1.00 0.00 H new ATOM 0 HE ARG A 7 11.322 -3.805 -1.111 1.00 0.00 H new ATOM 0 HH11 ARG A 7 12.444 -0.626 -2.209 1.00 0.00 H new ATOM 0 HH12 ARG A 7 12.597 -1.128 -3.896 1.00 0.00 H new ATOM 0 HH21 ARG A 7 11.520 -4.457 -3.291 1.00 0.00 H new ATOM 0 HH22 ARG A 7 12.072 -3.305 -4.511 1.00 0.00 H new ATOM 139 N TRP A 8 6.120 -1.595 1.627 1.00 0.00 N ATOM 140 CA TRP A 8 5.097 -2.598 1.871 1.00 0.00 C ATOM 141 C TRP A 8 3.819 -2.153 1.156 1.00 0.00 C ATOM 142 O TRP A 8 3.756 -1.070 0.582 1.00 0.00 O ATOM 143 CB TRP A 8 4.896 -2.821 3.370 1.00 0.00 C ATOM 144 CG TRP A 8 4.118 -4.094 3.711 1.00 0.00 C ATOM 145 CD1 TRP A 8 4.515 -5.366 3.574 1.00 0.00 C ATOM 146 CD2 TRP A 8 2.783 -4.165 4.256 1.00 0.00 C ATOM 147 NE1 TRP A 8 3.538 -6.248 3.988 1.00 0.00 N ATOM 148 CE2 TRP A 8 2.451 -5.495 4.415 1.00 0.00 C ATOM 149 CE3 TRP A 8 1.885 -3.139 4.601 1.00 0.00 C ATOM 150 CZ2 TRP A 8 1.219 -5.921 4.925 1.00 0.00 C ATOM 151 CZ3 TRP A 8 0.658 -3.582 5.109 1.00 0.00 C ATOM 152 CH2 TRP A 8 0.309 -4.918 5.276 1.00 0.00 C ATOM 0 H TRP A 8 5.940 -0.688 2.057 1.00 0.00 H new ATOM 0 HA TRP A 8 5.401 -3.565 1.471 1.00 0.00 H new ATOM 0 HB2 TRP A 8 5.871 -2.863 3.855 1.00 0.00 H new ATOM 0 HB3 TRP A 8 4.369 -1.963 3.787 1.00 0.00 H new ATOM 0 HD1 TRP A 8 5.479 -5.664 3.188 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.602 -7.266 3.982 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.123 -2.092 4.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.983 -6.969 5.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -0.068 -2.834 5.391 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.660 -5.180 5.675 1.00 0.00 H new HETATM 163 N ORN A 9 2.778 -3.051 1.214 1.00 0.00 N HETATM 164 CA ORN A 9 1.487 -2.788 0.586 1.00 0.00 C HETATM 165 CB ORN A 9 1.670 -2.498 -0.913 1.00 0.00 C HETATM 166 CG ORN A 9 2.007 -3.746 -1.733 1.00 0.00 C HETATM 167 CD ORN A 9 2.939 -3.397 -2.888 1.00 0.00 C HETATM 168 NE ORN A 9 4.034 -4.394 -2.952 1.00 0.00 N HETATM 169 C ORN A 9 0.637 -4.047 0.797 1.00 0.00 C HETATM 170 O ORN A 9 1.058 -5.171 0.540 1.00 0.00 O HETATM 0 HG3 ORN A 9 2.477 -4.492 -1.092 1.00 0.00 H new HETATM 0 HG2 ORN A 9 1.091 -4.191 -2.121 1.00 0.00 H new HETATM 0 HE2 ORN A 9 4.754 -4.315 -3.670 1.00 0.00 H new HETATM 0 HE1 ORN A 9 4.067 -5.159 -2.278 1.00 0.00 H new HETATM 0 HD3 ORN A 9 2.385 -3.387 -3.827 1.00 0.00 H new HETATM 0 HD2 ORN A 9 3.350 -2.397 -2.750 1.00 0.00 H new HETATM 0 HB3 ORN A 9 0.756 -2.050 -1.304 1.00 0.00 H new HETATM 0 HB2 ORN A 9 2.465 -1.763 -1.040 1.00 0.00 H new HETATM 0 HA ORN A 9 1.004 -1.914 1.024 1.00 0.00 H new HETATM 182 N DAB A 10 -0.630 -3.803 1.272 1.00 0.00 N HETATM 183 CA DAB A 10 -1.617 -4.857 1.491 1.00 0.00 C HETATM 184 C DAB A 10 -2.864 -4.440 0.699 1.00 0.00 C HETATM 185 O DAB A 10 -2.951 -3.250 0.396 1.00 0.00 O HETATM 186 CB DAB A 10 -1.994 -5.007 2.973 1.00 0.00 C HETATM 187 CG DAB A 10 -2.079 -6.460 3.417 1.00 0.00 C HETATM 188 ND DAB A 10 -2.949 -6.553 4.620 1.00 0.00 N HETATM 0 HG3 DAB A 10 -2.483 -7.076 2.613 1.00 0.00 H new HETATM 0 HG2 DAB A 10 -1.084 -6.843 3.643 1.00 0.00 H new HETATM 0 HD2 DAB A 10 -3.120 -7.459 5.057 1.00 0.00 H new HETATM 0 HD1 DAB A 10 -3.375 -5.711 5.008 1.00 0.00 H new HETATM 0 HB3 DAB A 10 -1.256 -4.488 3.585 1.00 0.00 H new HETATM 0 HB2 DAB A 10 -2.954 -4.521 3.150 1.00 0.00 H new HETATM 0 HA DAB A 10 -1.208 -5.816 1.171 1.00 0.00 H new HETATM 0 H DAB A 10 -0.861 -3.003 0.683 1.00 0.00 H new ATOM 198 N ALA A 11 -3.784 -5.352 0.425 1.00 0.00 N ATOM 199 CA ALA A 11 -5.004 -4.997 -0.279 1.00 0.00 C ATOM 200 C ALA A 11 -6.162 -4.930 0.718 1.00 0.00 C ATOM 201 O ALA A 11 -6.175 -5.657 1.709 1.00 0.00 O ATOM 202 CB ALA A 11 -5.258 -6.006 -1.401 1.00 0.00 C ATOM 0 H ALA A 11 -3.709 -6.337 0.678 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.909 -4.014 -0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.173 -5.740 -1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.420 -5.994 -2.098 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.362 -7.004 -0.976 1.00 0.00 H new ATOM 208 N LYS A 12 -7.107 -4.050 0.420 1.00 0.00 N ATOM 209 CA LYS A 12 -8.267 -3.878 1.277 1.00 0.00 C ATOM 210 C LYS A 12 -9.373 -3.166 0.497 1.00 0.00 C ATOM 211 O LYS A 12 -9.473 -1.941 0.414 1.00 0.00 O ATOM 212 CB LYS A 12 -7.874 -3.166 2.574 1.00 0.00 C ATOM 213 CG LYS A 12 -8.546 -3.819 3.783 1.00 0.00 C ATOM 214 CD LYS A 12 -7.527 -4.592 4.625 1.00 0.00 C ATOM 215 CE LYS A 12 -8.227 -5.438 5.690 1.00 0.00 C ATOM 216 NZ LYS A 12 -7.363 -5.587 6.883 1.00 0.00 N ATOM 0 H LYS A 12 -7.092 -3.448 -0.404 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.663 -4.847 1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.791 -3.195 2.695 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.160 -2.116 2.518 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.024 -3.054 4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.332 -4.495 3.446 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.929 -5.235 3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.840 -3.894 5.103 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.170 -4.970 5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.468 -6.420 5.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.853 -6.164 7.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.474 -6.053 6.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.155 -4.649 7.280 1.00 0.00 H new HETATM 230 N DPR A 13 -10.264 -3.989 -0.119 1.00 0.00 N HETATM 231 CA DPR A 13 -11.500 -3.476 -0.782 1.00 0.00 C HETATM 232 CB DPR A 13 -12.244 -4.804 -1.045 1.00 0.00 C HETATM 233 CG DPR A 13 -11.141 -5.833 -1.304 1.00 0.00 C HETATM 234 CD DPR A 13 -10.024 -5.432 -0.341 1.00 0.00 C HETATM 235 C DPR A 13 -11.258 -2.578 -2.050 1.00 0.00 C HETATM 236 O DPR A 13 -10.906 -3.055 -3.130 1.00 0.00 O HETATM 0 HG3 DPR A 13 -11.489 -6.848 -1.111 1.00 0.00 H new HETATM 0 HG2 DPR A 13 -10.804 -5.804 -2.340 1.00 0.00 H new HETATM 0 HD3 DPR A 13 -9.039 -5.614 -0.770 1.00 0.00 H new HETATM 0 HD2 DPR A 13 -10.075 -5.996 0.590 1.00 0.00 H new HETATM 0 HB3 DPR A 13 -12.856 -5.089 -0.190 1.00 0.00 H new HETATM 0 HB2 DPR A 13 -12.913 -4.719 -1.901 1.00 0.00 H new HETATM 0 HA DPR A 13 -12.064 -2.763 -0.181 1.00 0.00 H new ATOM 244 N PRO A 14 -11.480 -1.257 -1.900 1.00 0.00 N ATOM 245 CA PRO A 14 -11.473 -0.322 -3.056 1.00 0.00 C ATOM 246 C PRO A 14 -10.081 0.091 -3.647 1.00 0.00 C ATOM 247 O PRO A 14 -9.951 1.113 -4.311 1.00 0.00 O ATOM 248 CB PRO A 14 -12.309 0.846 -2.487 1.00 0.00 C ATOM 249 CG PRO A 14 -12.132 0.788 -0.964 1.00 0.00 C ATOM 250 CD PRO A 14 -12.027 -0.704 -0.648 1.00 0.00 C ATOM 0 HA PRO A 14 -11.875 -0.781 -3.959 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.966 1.801 -2.884 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.359 0.745 -2.762 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.238 1.325 -0.648 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.977 1.245 -0.448 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.370 -0.894 0.201 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.997 -1.136 -0.403 1.00 0.00 H new TER 258 PRO A 14