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= 0.0877 (180deg=-0.0277) USER MOD Single : A 1 THR OG1 : rot -160:sc= -3.38! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -8.891 -0.368 -2.874 1.00 0.00 N ATOM 2 CA THR A 1 -7.728 0.361 -2.400 1.00 0.00 C ATOM 3 C THR A 1 -6.622 -0.612 -1.983 1.00 0.00 C ATOM 4 O THR A 1 -6.750 -1.821 -2.174 1.00 0.00 O ATOM 5 CB THR A 1 -8.178 1.287 -1.269 1.00 0.00 C ATOM 6 OG1 THR A 1 -9.362 1.900 -1.774 1.00 0.00 O ATOM 7 CG2 THR A 1 -7.216 2.458 -1.053 1.00 0.00 C ATOM 0 H3 THR A 1 -9.752 0.175 -2.660 1.00 0.00 H new ATOM 0 HA THR A 1 -7.298 0.975 -3.191 1.00 0.00 H new ATOM 0 HB THR A 1 -8.267 0.715 -0.345 1.00 0.00 H new ATOM 0 HG1 THR A 1 -9.544 2.722 -1.273 1.00 0.00 H new ATOM 0 HG21 THR A 1 -7.582 3.084 -0.239 1.00 0.00 H new ATOM 0 HG22 THR A 1 -6.228 2.075 -0.800 1.00 0.00 H new ATOM 0 HG23 THR A 1 -7.153 3.050 -1.966 1.00 0.00 H new ATOM 15 N TRP A 2 -5.562 -0.048 -1.423 1.00 0.00 N ATOM 16 CA TRP A 2 -4.435 -0.851 -0.979 1.00 0.00 C ATOM 17 C TRP A 2 -3.729 -0.091 0.146 1.00 0.00 C ATOM 18 O TRP A 2 -3.709 1.139 0.153 1.00 0.00 O ATOM 19 CB TRP A 2 -3.507 -1.187 -2.147 1.00 0.00 C ATOM 20 CG TRP A 2 -3.756 -2.567 -2.762 1.00 0.00 C ATOM 21 CD1 TRP A 2 -4.745 -2.934 -3.589 1.00 0.00 C ATOM 22 CD2 TRP A 2 -2.958 -3.753 -2.564 1.00 0.00 C ATOM 23 NE1 TRP A 2 -4.643 -4.267 -3.937 1.00 0.00 N ATOM 24 CE2 TRP A 2 -3.522 -4.779 -3.294 1.00 0.00 C ATOM 25 CE3 TRP A 2 -1.799 -3.952 -1.794 1.00 0.00 C ATOM 26 CZ2 TRP A 2 -2.996 -6.077 -3.326 1.00 0.00 C ATOM 27 CZ3 TRP A 2 -1.285 -5.254 -1.837 1.00 0.00 C ATOM 28 CH2 TRP A 2 -1.841 -6.298 -2.566 1.00 0.00 C ATOM 0 H TRP A 2 -5.460 0.955 -1.267 1.00 0.00 H new ATOM 0 HA TRP A 2 -4.774 -1.812 -0.592 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -3.625 -0.429 -2.921 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -2.474 -1.134 -1.804 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -5.523 -2.272 -3.939 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -5.274 -4.781 -4.552 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -1.341 -3.163 -1.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -3.456 -6.864 -3.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -0.394 -5.461 -1.263 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -1.384 -7.276 -2.547 1.00 0.00 H new ATOM 39 N LEU A 3 -3.166 -0.856 1.070 1.00 0.00 N ATOM 40 CA LEU A 3 -2.461 -0.270 2.198 1.00 0.00 C ATOM 41 C LEU A 3 -0.985 -0.090 1.833 1.00 0.00 C ATOM 42 O LEU A 3 -0.108 -0.787 2.334 1.00 0.00 O ATOM 43 CB LEU A 3 -2.683 -1.104 3.460 1.00 0.00 C ATOM 44 CG LEU A 3 -4.098 -1.077 4.041 1.00 0.00 C ATOM 45 CD1 LEU A 3 -4.328 0.191 4.866 1.00 0.00 C ATOM 46 CD2 LEU A 3 -5.147 -1.242 2.940 1.00 0.00 C ATOM 0 H LEU A 3 -3.184 -1.876 1.061 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.858 0.720 2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.422 -2.139 3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.990 -0.758 4.227 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.205 -1.925 4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.341 0.185 5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.612 0.225 5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.194 1.067 4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.144 -1.219 3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.050 -0.429 2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.996 -2.195 2.433 1.00 0.00 H new HETATM 58 N DAB A 4 -0.731 0.901 0.913 1.00 0.00 N HETATM 59 CA DAB A 4 0.613 1.246 0.462 1.00 0.00 C HETATM 60 C DAB A 4 1.249 2.050 1.606 1.00 0.00 C HETATM 61 O DAB A 4 0.766 3.149 1.857 1.00 0.00 O HETATM 62 CB DAB A 4 0.600 2.111 -0.807 1.00 0.00 C HETATM 63 CG DAB A 4 -0.333 3.309 -0.696 1.00 0.00 C HETATM 64 ND DAB A 4 0.471 4.559 -0.724 1.00 0.00 N HETATM 0 HG3 DAB A 4 -1.049 3.305 -1.518 1.00 0.00 H new HETATM 0 HG2 DAB A 4 -0.908 3.253 0.228 1.00 0.00 H new HETATM 0 HD2 DAB A 4 0.007 5.465 -0.660 1.00 0.00 H new HETATM 0 HD1 DAB A 4 1.486 4.511 -0.808 1.00 0.00 H new HETATM 0 HB3 DAB A 4 1.611 2.462 -1.012 1.00 0.00 H new HETATM 0 HB2 DAB A 4 0.297 1.498 -1.656 1.00 0.00 H new HETATM 0 HA DAB A 4 1.164 0.337 0.219 1.00 0.00 H new HETATM 74 N ORN A 5 2.343 1.527 2.257 1.00 0.00 N HETATM 75 CA ORN A 5 3.033 2.248 3.322 1.00 0.00 C HETATM 76 CB ORN A 5 2.459 1.857 4.693 1.00 0.00 C HETATM 77 CG ORN A 5 2.333 3.040 5.657 1.00 0.00 C HETATM 78 CD ORN A 5 1.230 2.789 6.679 1.00 0.00 C HETATM 79 NE ORN A 5 1.788 2.037 7.828 1.00 0.00 N HETATM 80 C ORN A 5 4.513 1.860 3.222 1.00 0.00 C HETATM 81 O ORN A 5 4.973 0.931 3.883 1.00 0.00 O HETATM 0 HG3 ORN A 5 3.281 3.200 6.170 1.00 0.00 H new HETATM 0 HG2 ORN A 5 2.116 3.950 5.097 1.00 0.00 H new HETATM 0 HE2 ORN A 5 1.186 1.781 8.611 1.00 0.00 H new HETATM 0 HE1 ORN A 5 2.774 1.775 7.836 1.00 0.00 H new HETATM 0 HD3 ORN A 5 0.811 3.736 7.019 1.00 0.00 H new HETATM 0 HD2 ORN A 5 0.416 2.226 6.222 1.00 0.00 H new HETATM 0 HB3 ORN A 5 1.477 1.406 4.553 1.00 0.00 H new HETATM 0 HB2 ORN A 5 3.098 1.097 5.143 1.00 0.00 H new HETATM 0 HA ORN A 5 2.905 3.325 3.217 1.00 0.00 H new HETATM 93 N DLY A 6 5.221 2.616 2.395 1.00 0.00 N HETATM 94 CA DLY A 6 6.644 2.388 2.207 1.00 0.00 C HETATM 95 C DLY A 6 6.846 1.257 1.196 1.00 0.00 C HETATM 96 O DLY A 6 6.204 1.236 0.147 1.00 0.00 O HETATM 97 CB DLY A 6 7.349 3.690 1.822 1.00 0.00 C HETATM 98 CG DLY A 6 8.788 3.710 2.342 1.00 0.00 C HETATM 99 CD DLY A 6 9.618 4.771 1.617 1.00 0.00 C HETATM 100 CE DLY A 6 10.986 4.213 1.214 1.00 0.00 C HETATM 101 NZ DLY A 6 10.975 3.787 -0.203 1.00 0.00 N HETATM 0 HZ2 DLY A 6 11.816 3.392 -0.623 1.00 0.00 H new HETATM 0 HZ1 DLY A 6 10.126 3.889 -0.760 1.00 0.00 H new HETATM 0 HG3 DLY A 6 8.789 3.912 3.413 1.00 0.00 H new HETATM 0 HG2 DLY A 6 9.243 2.729 2.202 1.00 0.00 H new HETATM 0 HE3 DLY A 6 11.754 4.972 1.366 1.00 0.00 H new HETATM 0 HE2 DLY A 6 11.243 3.367 1.852 1.00 0.00 H new HETATM 0 HD3 DLY A 6 9.084 5.112 0.730 1.00 0.00 H new HETATM 0 HD2 DLY A 6 9.751 5.639 2.263 1.00 0.00 H new HETATM 0 HB3 DLY A 6 7.349 3.801 0.738 1.00 0.00 H new HETATM 0 HB2 DLY A 6 6.800 4.539 2.229 1.00 0.00 H new HETATM 0 HA DLY A 6 7.105 2.067 3.141 1.00 0.00 H new ATOM 115 N ARG A 7 7.741 0.346 1.546 1.00 0.00 N ATOM 116 CA ARG A 7 8.036 -0.784 0.683 1.00 0.00 C ATOM 117 C ARG A 7 7.029 -1.912 0.922 1.00 0.00 C ATOM 118 O ARG A 7 7.224 -3.032 0.455 1.00 0.00 O ATOM 119 CB ARG A 7 9.450 -1.313 0.930 1.00 0.00 C ATOM 120 CG ARG A 7 10.333 -1.116 -0.304 1.00 0.00 C ATOM 121 CD ARG A 7 11.516 -2.087 -0.292 1.00 0.00 C ATOM 122 NE ARG A 7 12.777 -1.348 -0.524 1.00 0.00 N ATOM 123 CZ ARG A 7 13.996 -1.845 -0.269 1.00 0.00 C ATOM 124 NH1 ARG A 7 14.125 -3.082 0.228 1.00 0.00 N ATOM 125 NH2 ARG A 7 15.085 -1.103 -0.511 1.00 0.00 N ATOM 0 H ARG A 7 8.272 0.368 2.417 1.00 0.00 H new ATOM 0 HA ARG A 7 7.964 -0.440 -0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.891 -0.797 1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.407 -2.372 1.185 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.742 -1.269 -1.207 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.700 -0.090 -0.333 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.560 -2.608 0.664 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.382 -2.846 -1.063 1.00 0.00 H new ATOM 0 HE ARG A 7 12.715 -0.402 -0.901 1.00 0.00 H new ATOM 0 HH11 ARG A 7 13.296 -3.646 0.413 1.00 0.00 H new ATOM 0 HH12 ARG A 7 15.053 -3.460 0.422 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.986 -0.161 -0.889 1.00 0.00 H new ATOM 0 HH22 ARG A 7 16.013 -1.480 -0.317 1.00 0.00 H new ATOM 139 N TRP A 8 5.972 -1.574 1.647 1.00 0.00 N ATOM 140 CA TRP A 8 4.935 -2.544 1.954 1.00 0.00 C ATOM 141 C TRP A 8 3.670 -2.140 1.192 1.00 0.00 C ATOM 142 O TRP A 8 3.559 -1.024 0.692 1.00 0.00 O ATOM 143 CB TRP A 8 4.714 -2.653 3.464 1.00 0.00 C ATOM 144 CG TRP A 8 3.945 -3.904 3.892 1.00 0.00 C ATOM 145 CD1 TRP A 8 4.344 -5.182 3.821 1.00 0.00 C ATOM 146 CD2 TRP A 8 2.621 -3.947 4.463 1.00 0.00 C ATOM 147 NE1 TRP A 8 3.378 -6.041 4.304 1.00 0.00 N ATOM 148 CE2 TRP A 8 2.297 -5.266 4.706 1.00 0.00 C ATOM 149 CE3 TRP A 8 1.726 -2.905 4.764 1.00 0.00 C ATOM 150 CZ2 TRP A 8 1.076 -5.665 5.262 1.00 0.00 C ATOM 151 CZ3 TRP A 8 0.510 -3.321 5.319 1.00 0.00 C ATOM 152 CH2 TRP A 8 0.168 -4.644 5.571 1.00 0.00 C ATOM 0 H TRP A 8 5.812 -0.642 2.030 1.00 0.00 H new ATOM 0 HA TRP A 8 5.233 -3.542 1.632 1.00 0.00 H new ATOM 0 HB2 TRP A 8 5.683 -2.646 3.964 1.00 0.00 H new ATOM 0 HB3 TRP A 8 4.172 -1.771 3.806 1.00 0.00 H new ATOM 0 HD1 TRP A 8 5.301 -5.499 3.434 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.445 -7.057 4.356 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.958 -1.866 4.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.846 -6.705 5.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -0.214 -2.559 5.569 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.792 -4.884 6.003 1.00 0.00 H new HETATM 163 N ORN A 9 2.698 -3.112 1.121 1.00 0.00 N HETATM 164 CA ORN A 9 1.430 -2.894 0.433 1.00 0.00 C HETATM 165 CB ORN A 9 1.661 -2.740 -1.079 1.00 0.00 C HETATM 166 CG ORN A 9 0.722 -1.723 -1.734 1.00 0.00 C HETATM 167 CD ORN A 9 1.511 -0.710 -2.554 1.00 0.00 C HETATM 168 NE ORN A 9 2.127 -1.395 -3.716 1.00 0.00 N HETATM 169 C ORN A 9 0.560 -4.122 0.727 1.00 0.00 C HETATM 170 O ORN A 9 0.937 -5.265 0.485 1.00 0.00 O HETATM 0 HG3 ORN A 9 0.008 -2.240 -2.375 1.00 0.00 H new HETATM 0 HG2 ORN A 9 0.145 -1.207 -0.967 1.00 0.00 H new HETATM 0 HE2 ORN A 9 2.695 -0.866 -4.377 1.00 0.00 H new HETATM 0 HE1 ORN A 9 1.982 -2.395 -3.854 1.00 0.00 H new HETATM 0 HD3 ORN A 9 0.854 0.090 -2.895 1.00 0.00 H new HETATM 0 HD2 ORN A 9 2.283 -0.248 -1.938 1.00 0.00 H new HETATM 0 HB3 ORN A 9 2.693 -2.436 -1.253 1.00 0.00 H new HETATM 0 HB2 ORN A 9 1.529 -3.709 -1.560 1.00 0.00 H new HETATM 0 HA ORN A 9 0.944 -1.981 0.777 1.00 0.00 H new HETATM 182 N DAB A 10 -0.672 -3.831 1.261 1.00 0.00 N HETATM 183 CA DAB A 10 -1.673 -4.850 1.565 1.00 0.00 C HETATM 184 C DAB A 10 -2.912 -4.489 0.731 1.00 0.00 C HETATM 185 O DAB A 10 -3.002 -3.320 0.359 1.00 0.00 O HETATM 186 CB DAB A 10 -2.061 -4.864 3.051 1.00 0.00 C HETATM 187 CG DAB A 10 -2.591 -6.215 3.511 1.00 0.00 C HETATM 188 ND DAB A 10 -1.480 -7.203 3.503 1.00 0.00 N HETATM 0 HG3 DAB A 10 -3.013 -6.132 4.513 1.00 0.00 H new HETATM 0 HG2 DAB A 10 -3.394 -6.547 2.853 1.00 0.00 H new HETATM 0 HD2 DAB A 10 -1.654 -8.168 3.784 1.00 0.00 H new HETATM 0 HD1 DAB A 10 -0.544 -6.916 3.216 1.00 0.00 H new HETATM 0 HB3 DAB A 10 -1.191 -4.597 3.651 1.00 0.00 H new HETATM 0 HB2 DAB A 10 -2.819 -4.101 3.231 1.00 0.00 H new HETATM 0 HA DAB A 10 -1.274 -5.837 1.333 1.00 0.00 H new ATOM 198 N ALA A 11 -3.819 -5.424 0.496 1.00 0.00 N ATOM 199 CA ALA A 11 -5.031 -5.120 -0.247 1.00 0.00 C ATOM 200 C ALA A 11 -6.211 -5.035 0.723 1.00 0.00 C ATOM 201 O ALA A 11 -6.255 -5.758 1.718 1.00 0.00 O ATOM 202 CB ALA A 11 -5.243 -6.178 -1.332 1.00 0.00 C ATOM 0 H ALA A 11 -3.740 -6.392 0.806 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.944 -4.154 -0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.152 -5.951 -1.889 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.391 -6.178 -2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.338 -7.160 -0.869 1.00 0.00 H new ATOM 208 N LYS A 12 -7.139 -4.145 0.400 1.00 0.00 N ATOM 209 CA LYS A 12 -8.316 -3.957 1.230 1.00 0.00 C ATOM 210 C LYS A 12 -9.380 -3.200 0.433 1.00 0.00 C ATOM 211 O LYS A 12 -9.470 -1.973 0.406 1.00 0.00 O ATOM 212 CB LYS A 12 -7.938 -3.280 2.550 1.00 0.00 C ATOM 213 CG LYS A 12 -8.727 -3.875 3.717 1.00 0.00 C ATOM 214 CD LYS A 12 -10.018 -3.092 3.963 1.00 0.00 C ATOM 215 CE LYS A 12 -11.215 -4.035 4.095 1.00 0.00 C ATOM 216 NZ LYS A 12 -12.178 -3.513 5.091 1.00 0.00 N ATOM 0 H LYS A 12 -7.099 -3.547 -0.425 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.747 -4.920 1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.870 -3.399 2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.133 -2.210 2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.965 -4.918 3.506 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.114 -3.864 4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.919 -2.496 4.870 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.188 -2.396 3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.707 -4.146 3.128 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.874 -5.026 4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.985 -4.165 5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.710 -3.430 6.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.517 -2.577 4.789 1.00 0.00 H new HETATM 230 N DPR A 13 -10.245 -3.988 -0.261 1.00 0.00 N HETATM 231 CA DPR A 13 -11.447 -3.433 -0.954 1.00 0.00 C HETATM 232 CB DPR A 13 -12.193 -4.741 -1.300 1.00 0.00 C HETATM 233 CG DPR A 13 -11.090 -5.773 -1.553 1.00 0.00 C HETATM 234 CD DPR A 13 -10.012 -5.422 -0.528 1.00 0.00 C HETATM 235 C DPR A 13 -11.142 -2.491 -2.175 1.00 0.00 C HETATM 236 O DPR A 13 -10.747 -2.929 -3.256 1.00 0.00 O HETATM 0 HG3 DPR A 13 -11.456 -6.790 -1.415 1.00 0.00 H new HETATM 0 HG2 DPR A 13 -10.708 -5.707 -2.572 1.00 0.00 H new HETATM 0 HD3 DPR A 13 -9.011 -5.600 -0.921 1.00 0.00 H new HETATM 0 HD2 DPR A 13 -10.109 -6.020 0.378 1.00 0.00 H new HETATM 0 HB3 DPR A 13 -12.844 -5.052 -0.483 1.00 0.00 H new HETATM 0 HB2 DPR A 13 -12.824 -4.614 -2.180 1.00 0.00 H new HETATM 0 HA DPR A 13 -12.028 -2.736 -0.349 1.00 0.00 H new ATOM 244 N PRO A 14 -11.361 -1.174 -1.984 1.00 0.00 N ATOM 245 CA PRO A 14 -11.295 -0.196 -3.102 1.00 0.00 C ATOM 246 C PRO A 14 -9.875 0.221 -3.618 1.00 0.00 C ATOM 247 O PRO A 14 -9.698 1.288 -4.196 1.00 0.00 O ATOM 248 CB PRO A 14 -12.142 0.961 -2.524 1.00 0.00 C ATOM 249 CG PRO A 14 -12.029 0.842 -0.998 1.00 0.00 C ATOM 250 CD PRO A 14 -11.954 -0.663 -0.736 1.00 0.00 C ATOM 0 HA PRO A 14 -11.664 -0.615 -4.038 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.772 1.926 -2.869 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.180 0.884 -2.846 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.143 1.355 -0.624 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.889 1.289 -0.500 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.336 -0.894 0.131 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.938 -1.092 -0.549 1.00 0.00 H new TER 258 PRO A 14