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 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+ 148:sc= 0.107 (180deg=-0.00295) USER MOD Single : A 1 THR OG1 : rot -160:sc= -2.95! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -9.042 -0.401 -2.817 1.00 0.00 N ATOM 2 CA THR A 1 -7.963 0.439 -2.328 1.00 0.00 C ATOM 3 C THR A 1 -6.719 -0.404 -2.039 1.00 0.00 C ATOM 4 O THR A 1 -6.700 -1.603 -2.311 1.00 0.00 O ATOM 5 CB THR A 1 -8.475 1.205 -1.106 1.00 0.00 C ATOM 6 OG1 THR A 1 -9.754 1.687 -1.509 1.00 0.00 O ATOM 7 CG2 THR A 1 -7.668 2.475 -0.830 1.00 0.00 C ATOM 0 H3 THR A 1 -9.954 -0.008 -2.510 1.00 0.00 H new ATOM 0 HA THR A 1 -7.657 1.166 -3.080 1.00 0.00 H new ATOM 0 HB THR A 1 -8.441 0.556 -0.231 1.00 0.00 H new ATOM 0 HG1 THR A 1 -10.018 2.435 -0.934 1.00 0.00 H new ATOM 0 HG21 THR A 1 -8.073 2.980 0.047 1.00 0.00 H new ATOM 0 HG22 THR A 1 -6.626 2.212 -0.648 1.00 0.00 H new ATOM 0 HG23 THR A 1 -7.729 3.139 -1.692 1.00 0.00 H new ATOM 15 N TRP A 2 -5.708 0.257 -1.493 1.00 0.00 N ATOM 16 CA TRP A 2 -4.463 -0.416 -1.165 1.00 0.00 C ATOM 17 C TRP A 2 -3.749 0.407 -0.092 1.00 0.00 C ATOM 18 O TRP A 2 -3.546 1.609 -0.258 1.00 0.00 O ATOM 19 CB TRP A 2 -3.611 -0.634 -2.418 1.00 0.00 C ATOM 20 CG TRP A 2 -3.841 -1.985 -3.100 1.00 0.00 C ATOM 21 CD1 TRP A 2 -4.838 -2.333 -3.925 1.00 0.00 C ATOM 22 CD2 TRP A 2 -3.012 -3.159 -2.981 1.00 0.00 C ATOM 23 NE1 TRP A 2 -4.712 -3.641 -4.345 1.00 0.00 N ATOM 24 CE2 TRP A 2 -3.567 -4.160 -3.753 1.00 0.00 C ATOM 25 CE3 TRP A 2 -1.832 -3.370 -2.247 1.00 0.00 C ATOM 26 CZ2 TRP A 2 -3.010 -5.439 -3.864 1.00 0.00 C ATOM 27 CZ3 TRP A 2 -1.289 -4.654 -2.368 1.00 0.00 C ATOM 28 CH2 TRP A 2 -1.835 -5.673 -3.141 1.00 0.00 C ATOM 0 H TRP A 2 -5.726 1.252 -1.270 1.00 0.00 H new ATOM 0 HA TRP A 2 -4.656 -1.412 -0.768 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -3.822 0.162 -3.132 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -2.558 -0.549 -2.148 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -5.639 -1.673 -4.223 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -5.343 -4.136 -4.975 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -1.380 -2.602 -1.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -3.463 -6.205 -4.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -0.382 -4.869 -1.823 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -1.355 -6.639 -3.183 1.00 0.00 H new ATOM 39 N LEU A 3 -3.387 -0.273 0.986 1.00 0.00 N ATOM 40 CA LEU A 3 -2.699 0.380 2.087 1.00 0.00 C ATOM 41 C LEU A 3 -1.188 0.295 1.862 1.00 0.00 C ATOM 42 O LEU A 3 -0.481 -0.457 2.525 1.00 0.00 O ATOM 43 CB LEU A 3 -3.156 -0.204 3.425 1.00 0.00 C ATOM 44 CG LEU A 3 -4.665 -0.214 3.673 1.00 0.00 C ATOM 45 CD1 LEU A 3 -5.312 -1.463 3.069 1.00 0.00 C ATOM 46 CD2 LEU A 3 -4.978 -0.071 5.164 1.00 0.00 C ATOM 0 H LEU A 3 -3.557 -1.270 1.121 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.956 1.439 2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.790 -1.228 3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.680 0.361 4.227 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.099 0.650 3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.385 -1.445 3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.135 -1.481 1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.878 -2.354 3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.058 -0.081 5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.529 -0.900 5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.570 0.870 5.533 1.00 0.00 H new HETATM 58 N DAB A 4 -0.701 1.116 0.872 1.00 0.00 N HETATM 59 CA DAB A 4 0.717 1.200 0.531 1.00 0.00 C HETATM 60 C DAB A 4 1.389 1.939 1.698 1.00 0.00 C HETATM 61 O DAB A 4 0.942 3.043 1.995 1.00 0.00 O HETATM 62 CB DAB A 4 0.960 1.988 -0.764 1.00 0.00 C HETATM 63 CG DAB A 4 0.817 1.131 -2.014 1.00 0.00 C HETATM 64 ND DAB A 4 1.991 1.359 -2.898 1.00 0.00 N HETATM 0 HG3 DAB A 4 0.750 0.078 -1.742 1.00 0.00 H new HETATM 0 HG2 DAB A 4 -0.104 1.383 -2.540 1.00 0.00 H new HETATM 0 HD2 DAB A 4 2.064 0.864 -3.787 1.00 0.00 H new HETATM 0 HD1 DAB A 4 2.723 2.010 -2.615 1.00 0.00 H new HETATM 0 HB3 DAB A 4 0.255 2.818 -0.816 1.00 0.00 H new HETATM 0 HB2 DAB A 4 1.960 2.420 -0.738 1.00 0.00 H new HETATM 0 HA DAB A 4 1.118 0.199 0.371 1.00 0.00 H new HETATM 74 N ORN A 5 2.472 1.359 2.316 1.00 0.00 N HETATM 75 CA ORN A 5 3.194 2.017 3.400 1.00 0.00 C HETATM 76 CB ORN A 5 2.655 1.554 4.762 1.00 0.00 C HETATM 77 CG ORN A 5 2.592 2.677 5.801 1.00 0.00 C HETATM 78 CD ORN A 5 3.196 2.223 7.125 1.00 0.00 C HETATM 79 NE ORN A 5 3.817 3.385 7.803 1.00 0.00 N HETATM 80 C ORN A 5 4.669 1.627 3.238 1.00 0.00 C HETATM 81 O ORN A 5 5.143 0.667 3.844 1.00 0.00 O HETATM 0 HG3 ORN A 5 3.129 3.551 5.432 1.00 0.00 H new HETATM 0 HG2 ORN A 5 1.556 2.980 5.953 1.00 0.00 H new HETATM 0 HE2 ORN A 5 4.272 3.264 8.708 1.00 0.00 H new HETATM 0 HE1 ORN A 5 3.789 4.306 7.365 1.00 0.00 H new HETATM 0 HD3 ORN A 5 2.424 1.787 7.759 1.00 0.00 H new HETATM 0 HD2 ORN A 5 3.942 1.447 6.951 1.00 0.00 H new HETATM 0 HB3 ORN A 5 1.657 1.136 4.627 1.00 0.00 H new HETATM 0 HB2 ORN A 5 3.288 0.752 5.142 1.00 0.00 H new HETATM 0 HA ORN A 5 3.070 3.099 3.359 1.00 0.00 H new HETATM 93 N DLY A 6 5.357 2.415 2.425 1.00 0.00 N HETATM 94 CA DLY A 6 6.773 2.190 2.185 1.00 0.00 C HETATM 95 C DLY A 6 6.939 1.071 1.155 1.00 0.00 C HETATM 96 O DLY A 6 6.297 1.089 0.106 1.00 0.00 O HETATM 97 CB DLY A 6 7.464 3.496 1.791 1.00 0.00 C HETATM 98 CG DLY A 6 8.524 3.889 2.822 1.00 0.00 C HETATM 99 CD DLY A 6 9.539 4.864 2.221 1.00 0.00 C HETATM 100 CE DLY A 6 10.075 5.822 3.286 1.00 0.00 C HETATM 101 NZ DLY A 6 9.388 7.131 3.201 1.00 0.00 N HETATM 0 HZ2 DLY A 6 9.636 7.880 3.848 1.00 0.00 H new HETATM 0 HZ1 DLY A 6 8.667 7.284 2.496 1.00 0.00 H new HETATM 0 HG3 DLY A 6 8.043 4.346 3.687 1.00 0.00 H new HETATM 0 HG2 DLY A 6 9.039 2.997 3.178 1.00 0.00 H new HETATM 0 HE3 DLY A 6 9.929 5.392 4.277 1.00 0.00 H new HETATM 0 HE2 DLY A 6 11.148 5.959 3.153 1.00 0.00 H new HETATM 0 HD3 DLY A 6 10.365 4.308 1.778 1.00 0.00 H new HETATM 0 HD2 DLY A 6 9.071 5.433 1.418 1.00 0.00 H new HETATM 0 HB3 DLY A 6 7.928 3.384 0.811 1.00 0.00 H new HETATM 0 HB2 DLY A 6 6.724 4.291 1.704 1.00 0.00 H new HETATM 0 HA DLY A 6 7.267 1.859 3.099 1.00 0.00 H new ATOM 115 N ARG A 7 7.803 0.125 1.491 1.00 0.00 N ATOM 116 CA ARG A 7 8.062 -0.999 0.608 1.00 0.00 C ATOM 117 C ARG A 7 7.016 -2.095 0.824 1.00 0.00 C ATOM 118 O ARG A 7 7.173 -3.213 0.335 1.00 0.00 O ATOM 119 CB ARG A 7 9.457 -1.581 0.851 1.00 0.00 C ATOM 120 CG ARG A 7 10.350 -1.394 -0.378 1.00 0.00 C ATOM 121 CD ARG A 7 11.508 -2.393 -0.369 1.00 0.00 C ATOM 122 NE ARG A 7 11.956 -2.661 -1.755 1.00 0.00 N ATOM 123 CZ ARG A 7 12.829 -1.895 -2.423 1.00 0.00 C ATOM 124 NH1 ARG A 7 13.353 -0.810 -1.838 1.00 0.00 N ATOM 125 NH2 ARG A 7 13.177 -2.214 -3.677 1.00 0.00 N ATOM 0 H ARG A 7 8.333 0.114 2.363 1.00 0.00 H new ATOM 0 HA ARG A 7 8.006 -0.635 -0.418 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.913 -1.095 1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.376 -2.642 1.089 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.759 -1.524 -1.285 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.742 -0.377 -0.396 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.336 -1.998 0.220 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.194 -3.322 0.107 1.00 0.00 H new ATOM 0 HE ARG A 7 11.576 -3.480 -2.231 1.00 0.00 H new ATOM 0 HH11 ARG A 7 13.087 -0.567 -0.884 1.00 0.00 H new ATOM 0 HH12 ARG A 7 14.018 -0.227 -2.347 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.777 -3.040 -4.123 1.00 0.00 H new ATOM 0 HH22 ARG A 7 13.842 -1.631 -4.186 1.00 0.00 H new ATOM 139 N TRP A 8 5.972 -1.736 1.556 1.00 0.00 N ATOM 140 CA TRP A 8 4.900 -2.675 1.841 1.00 0.00 C ATOM 141 C TRP A 8 3.610 -2.120 1.233 1.00 0.00 C ATOM 142 O TRP A 8 3.571 -0.994 0.747 1.00 0.00 O ATOM 143 CB TRP A 8 4.787 -2.937 3.344 1.00 0.00 C ATOM 144 CG TRP A 8 4.064 -4.238 3.697 1.00 0.00 C ATOM 145 CD1 TRP A 8 4.489 -5.495 3.507 1.00 0.00 C ATOM 146 CD2 TRP A 8 2.765 -4.360 4.311 1.00 0.00 C ATOM 147 NE1 TRP A 8 3.561 -6.415 3.952 1.00 0.00 N ATOM 148 CE2 TRP A 8 2.479 -5.702 4.458 1.00 0.00 C ATOM 149 CE3 TRP A 8 1.860 -3.369 4.732 1.00 0.00 C ATOM 150 CZ2 TRP A 8 1.289 -6.177 5.024 1.00 0.00 C ATOM 151 CZ3 TRP A 8 0.675 -3.859 5.295 1.00 0.00 C ATOM 152 CH2 TRP A 8 0.373 -5.207 5.448 1.00 0.00 C ATOM 0 H TRP A 8 5.845 -0.808 1.960 1.00 0.00 H new ATOM 0 HA TRP A 8 5.108 -3.645 1.390 1.00 0.00 H new ATOM 0 HB2 TRP A 8 5.788 -2.962 3.774 1.00 0.00 H new ATOM 0 HB3 TRP A 8 4.261 -2.103 3.809 1.00 0.00 H new ATOM 0 HD1 TRP A 8 5.438 -5.755 3.062 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.652 -7.430 3.916 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.063 -2.313 4.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 1.089 -7.233 5.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -0.055 -3.139 5.634 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.565 -5.505 5.892 1.00 0.00 H new HETATM 163 N ORN A 9 2.532 -2.973 1.279 1.00 0.00 N HETATM 164 CA ORN A 9 1.226 -2.604 0.743 1.00 0.00 C HETATM 165 CB ORN A 9 1.361 -2.107 -0.705 1.00 0.00 C HETATM 166 CG ORN A 9 1.991 -3.139 -1.644 1.00 0.00 C HETATM 167 CD ORN A 9 2.737 -2.450 -2.781 1.00 0.00 C HETATM 168 NE ORN A 9 1.909 -2.500 -4.010 1.00 0.00 N HETATM 169 C ORN A 9 0.358 -3.869 0.804 1.00 0.00 C HETATM 170 O ORN A 9 0.603 -4.863 0.128 1.00 0.00 O HETATM 0 HG3 ORN A 9 2.677 -3.775 -1.085 1.00 0.00 H new HETATM 0 HG2 ORN A 9 1.216 -3.788 -2.052 1.00 0.00 H new HETATM 0 HE2 ORN A 9 2.254 -2.084 -4.875 1.00 0.00 H new HETATM 0 HE1 ORN A 9 0.994 -2.950 -3.991 1.00 0.00 H new HETATM 0 HD3 ORN A 9 2.953 -1.415 -2.516 1.00 0.00 H new HETATM 0 HD2 ORN A 9 3.695 -2.941 -2.953 1.00 0.00 H new HETATM 0 HB3 ORN A 9 0.375 -1.837 -1.082 1.00 0.00 H new HETATM 0 HB2 ORN A 9 1.965 -1.200 -0.715 1.00 0.00 H new HETATM 0 HA ORN A 9 0.777 -1.794 1.318 1.00 0.00 H new HETATM 0 H2 ORN A 9 2.611 -3.324 2.234 1.00 0.00 H new HETATM 182 N DAB A 10 -0.715 -3.780 1.658 1.00 0.00 N HETATM 183 CA DAB A 10 -1.694 -4.851 1.823 1.00 0.00 C HETATM 184 C DAB A 10 -2.946 -4.401 1.056 1.00 0.00 C HETATM 185 O DAB A 10 -3.303 -3.235 1.220 1.00 0.00 O HETATM 186 CB DAB A 10 -2.067 -5.079 3.296 1.00 0.00 C HETATM 187 CG DAB A 10 -2.378 -3.785 4.035 1.00 0.00 C HETATM 188 ND DAB A 10 -2.965 -4.110 5.362 1.00 0.00 N HETATM 0 HG3 DAB A 10 -1.469 -3.196 4.160 1.00 0.00 H new HETATM 0 HG2 DAB A 10 -3.074 -3.179 3.455 1.00 0.00 H new HETATM 0 HD2 DAB A 10 -3.236 -3.360 5.997 1.00 0.00 H new HETATM 0 HD1 DAB A 10 -3.096 -5.083 5.637 1.00 0.00 H new HETATM 0 HB3 DAB A 10 -2.933 -5.739 3.348 1.00 0.00 H new HETATM 0 HB2 DAB A 10 -1.246 -5.590 3.799 1.00 0.00 H new HETATM 0 HA DAB A 10 -1.280 -5.789 1.453 1.00 0.00 H new ATOM 198 N ALA A 11 -3.589 -5.284 0.307 1.00 0.00 N ATOM 199 CA ALA A 11 -4.805 -4.921 -0.400 1.00 0.00 C ATOM 200 C ALA A 11 -5.998 -5.036 0.552 1.00 0.00 C ATOM 201 O ALA A 11 -6.003 -5.882 1.445 1.00 0.00 O ATOM 202 CB ALA A 11 -4.960 -5.806 -1.638 1.00 0.00 C ATOM 0 H ALA A 11 -3.291 -6.250 0.174 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.755 -3.887 -0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.872 -5.533 -2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.102 -5.665 -2.296 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.016 -6.851 -1.333 1.00 0.00 H new ATOM 208 N LYS A 12 -6.978 -4.173 0.328 1.00 0.00 N ATOM 209 CA LYS A 12 -8.173 -4.169 1.156 1.00 0.00 C ATOM 210 C LYS A 12 -9.307 -3.472 0.400 1.00 0.00 C ATOM 211 O LYS A 12 -9.539 -2.265 0.478 1.00 0.00 O ATOM 212 CB LYS A 12 -7.875 -3.552 2.523 1.00 0.00 C ATOM 213 CG LYS A 12 -8.969 -3.905 3.533 1.00 0.00 C ATOM 214 CD LYS A 12 -8.688 -5.256 4.196 1.00 0.00 C ATOM 215 CE LYS A 12 -9.585 -5.464 5.418 1.00 0.00 C ATOM 216 NZ LYS A 12 -8.986 -4.831 6.614 1.00 0.00 N ATOM 0 H LYS A 12 -6.970 -3.473 -0.414 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.502 -5.188 1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.911 -3.910 2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.798 -2.469 2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.030 -3.128 4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.936 -3.936 3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.854 -6.059 3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.641 -5.307 4.496 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.571 -5.039 5.229 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.726 -6.530 5.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.607 -4.981 7.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.055 -5.255 6.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.874 -3.811 6.447 1.00 0.00 H new HETATM 230 N DPR A 13 -10.063 -4.288 -0.382 1.00 0.00 N HETATM 231 CA DPR A 13 -11.310 -3.817 -1.056 1.00 0.00 C HETATM 232 CB DPR A 13 -11.929 -5.170 -1.469 1.00 0.00 C HETATM 233 CG DPR A 13 -10.734 -6.080 -1.764 1.00 0.00 C HETATM 234 CD DPR A 13 -9.694 -5.680 -0.717 1.00 0.00 C HETATM 235 C DPR A 13 -11.093 -2.791 -2.226 1.00 0.00 C HETATM 236 O DPR A 13 -10.656 -3.136 -3.325 1.00 0.00 O HETATM 0 HG3 DPR A 13 -11.003 -7.133 -1.677 1.00 0.00 H new HETATM 0 HG2 DPR A 13 -10.359 -5.930 -2.776 1.00 0.00 H new HETATM 0 HD3 DPR A 13 -8.680 -5.743 -1.113 1.00 0.00 H new HETATM 0 HD2 DPR A 13 -9.735 -6.328 0.158 1.00 0.00 H new HETATM 0 HB3 DPR A 13 -12.549 -5.580 -0.672 1.00 0.00 H new HETATM 0 HB2 DPR A 13 -12.567 -5.061 -2.346 1.00 0.00 H new HETATM 0 HA DPR A 13 -11.956 -3.209 -0.423 1.00 0.00 H new ATOM 244 N PRO A 14 -11.438 -1.513 -1.975 1.00 0.00 N ATOM 245 CA PRO A 14 -11.464 -0.479 -3.043 1.00 0.00 C ATOM 246 C PRO A 14 -10.092 0.121 -3.506 1.00 0.00 C ATOM 247 O PRO A 14 -10.033 1.199 -4.087 1.00 0.00 O ATOM 248 CB PRO A 14 -12.447 0.545 -2.433 1.00 0.00 C ATOM 249 CG PRO A 14 -12.350 0.365 -0.912 1.00 0.00 C ATOM 250 CD PRO A 14 -12.107 -1.133 -0.718 1.00 0.00 C ATOM 0 HA PRO A 14 -11.766 -0.891 -4.006 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -12.183 1.562 -2.724 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.464 0.367 -2.783 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.536 0.957 -0.493 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -13.265 0.686 -0.415 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.481 -1.333 0.152 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -13.039 -1.680 -0.573 1.00 0.00 H new TER 258 PRO A 14