USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=3 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+ 149:sc= 0.113 (180deg=0) USER MOD Single : A 1 THR OG1 : rot -165:sc= -3.53! USER MOD Single : A 12 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.00398) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -9.009 -0.476 -2.944 1.00 0.00 N ATOM 2 CA THR A 1 -7.829 0.300 -2.606 1.00 0.00 C ATOM 3 C THR A 1 -6.688 -0.624 -2.176 1.00 0.00 C ATOM 4 O THR A 1 -6.809 -1.845 -2.254 1.00 0.00 O ATOM 5 CB THR A 1 -8.223 1.318 -1.533 1.00 0.00 C ATOM 6 OG1 THR A 1 -9.443 1.875 -2.016 1.00 0.00 O ATOM 7 CG2 THR A 1 -7.266 2.509 -1.476 1.00 0.00 C ATOM 0 H3 THR A 1 -9.862 0.077 -2.725 1.00 0.00 H new ATOM 0 HA THR A 1 -7.455 0.847 -3.471 1.00 0.00 H new ATOM 0 HB THR A 1 -8.250 0.828 -0.560 1.00 0.00 H new ATOM 0 HG1 THR A 1 -9.646 2.696 -1.521 1.00 0.00 H new ATOM 0 HG21 THR A 1 -7.591 3.200 -0.699 1.00 0.00 H new ATOM 0 HG22 THR A 1 -6.260 2.157 -1.250 1.00 0.00 H new ATOM 0 HG23 THR A 1 -7.264 3.020 -2.439 1.00 0.00 H new ATOM 15 N TRP A 2 -5.604 -0.005 -1.731 1.00 0.00 N ATOM 16 CA TRP A 2 -4.442 -0.757 -1.288 1.00 0.00 C ATOM 17 C TRP A 2 -3.722 0.070 -0.221 1.00 0.00 C ATOM 18 O TRP A 2 -3.418 1.241 -0.439 1.00 0.00 O ATOM 19 CB TRP A 2 -3.541 -1.120 -2.471 1.00 0.00 C ATOM 20 CG TRP A 2 -3.723 -2.553 -2.974 1.00 0.00 C ATOM 21 CD1 TRP A 2 -4.658 -3.021 -3.813 1.00 0.00 C ATOM 22 CD2 TRP A 2 -2.907 -3.694 -2.634 1.00 0.00 C ATOM 23 NE1 TRP A 2 -4.505 -4.374 -4.037 1.00 0.00 N ATOM 24 CE2 TRP A 2 -3.406 -4.797 -3.298 1.00 0.00 C ATOM 25 CE3 TRP A 2 -1.785 -3.792 -1.794 1.00 0.00 C ATOM 26 CZ2 TRP A 2 -2.846 -6.075 -3.190 1.00 0.00 C ATOM 27 CZ3 TRP A 2 -1.236 -5.076 -1.696 1.00 0.00 C ATOM 28 CH2 TRP A 2 -1.727 -6.196 -2.358 1.00 0.00 C ATOM 0 H TRP A 2 -5.506 1.008 -1.668 1.00 0.00 H new ATOM 0 HA TRP A 2 -4.743 -1.708 -0.848 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -3.740 -0.430 -3.291 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -2.500 -0.977 -2.179 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -5.434 -2.415 -4.258 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -5.091 -4.957 -4.635 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -1.378 -2.943 -1.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -3.255 -6.922 -3.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -0.371 -5.206 -1.062 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -1.247 -7.155 -2.231 1.00 0.00 H new ATOM 39 N LEU A 3 -3.471 -0.573 0.910 1.00 0.00 N ATOM 40 CA LEU A 3 -2.792 0.088 2.012 1.00 0.00 C ATOM 41 C LEU A 3 -1.279 -0.018 1.811 1.00 0.00 C ATOM 42 O LEU A 3 -0.615 -0.885 2.369 1.00 0.00 O ATOM 43 CB LEU A 3 -3.276 -0.472 3.351 1.00 0.00 C ATOM 44 CG LEU A 3 -2.256 -0.453 4.493 1.00 0.00 C ATOM 45 CD1 LEU A 3 -1.462 0.855 4.498 1.00 0.00 C ATOM 46 CD2 LEU A 3 -2.935 -0.716 5.838 1.00 0.00 C ATOM 0 H LEU A 3 -3.726 -1.545 1.087 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.037 1.150 2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.153 0.095 3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.600 -1.501 3.196 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.543 -1.261 4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.745 0.842 5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.930 0.961 3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.145 1.695 4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.189 -0.697 6.632 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.683 0.054 6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.418 -1.693 5.817 1.00 0.00 H new HETATM 58 N DAB A 4 -0.738 0.925 0.969 1.00 0.00 N HETATM 59 CA DAB A 4 0.690 1.008 0.677 1.00 0.00 C HETATM 60 C DAB A 4 1.308 1.830 1.817 1.00 0.00 C HETATM 61 O DAB A 4 0.768 2.896 2.098 1.00 0.00 O HETATM 62 CB DAB A 4 0.973 1.716 -0.657 1.00 0.00 C HETATM 63 CG DAB A 4 2.218 1.185 -1.355 1.00 0.00 C HETATM 64 ND DAB A 4 3.309 2.188 -1.235 1.00 0.00 N HETATM 0 HG3 DAB A 4 2.525 0.240 -0.908 1.00 0.00 H new HETATM 0 HG2 DAB A 4 2.004 0.986 -2.405 1.00 0.00 H new HETATM 0 HD2 DAB A 4 4.223 1.999 -1.647 1.00 0.00 H new HETATM 0 HD1 DAB A 4 3.144 3.065 -0.741 1.00 0.00 H new HETATM 0 HB3 DAB A 4 0.113 1.596 -1.316 1.00 0.00 H new HETATM 0 HB2 DAB A 4 1.090 2.785 -0.478 1.00 0.00 H new HETATM 0 HA DAB A 4 1.108 0.005 0.598 1.00 0.00 H new HETATM 74 N ORN A 5 2.446 1.362 2.434 1.00 0.00 N HETATM 75 CA ORN A 5 3.118 2.107 3.493 1.00 0.00 C HETATM 76 CB ORN A 5 2.577 1.689 4.869 1.00 0.00 C HETATM 77 CG ORN A 5 2.967 2.654 5.992 1.00 0.00 C HETATM 78 CD ORN A 5 1.845 3.648 6.263 1.00 0.00 C HETATM 79 NE ORN A 5 0.772 2.977 7.035 1.00 0.00 N HETATM 80 C ORN A 5 4.612 1.777 3.374 1.00 0.00 C HETATM 81 O ORN A 5 5.124 0.891 4.055 1.00 0.00 O HETATM 0 HG3 ORN A 5 3.189 2.093 6.900 1.00 0.00 H new HETATM 0 HG2 ORN A 5 3.876 3.190 5.718 1.00 0.00 H new HETATM 0 HE2 ORN A 5 -0.063 3.497 7.306 1.00 0.00 H new HETATM 0 HE1 ORN A 5 0.868 1.995 7.295 1.00 0.00 H new HETATM 0 HD3 ORN A 5 2.228 4.504 6.819 1.00 0.00 H new HETATM 0 HD2 ORN A 5 1.448 4.031 5.323 1.00 0.00 H new HETATM 0 HB3 ORN A 5 1.490 1.621 4.819 1.00 0.00 H new HETATM 0 HB2 ORN A 5 2.948 0.693 5.110 1.00 0.00 H new HETATM 0 HA ORN A 5 2.945 3.179 3.394 1.00 0.00 H new HETATM 93 N DLY A 6 5.271 2.531 2.507 1.00 0.00 N HETATM 94 CA DLY A 6 6.698 2.358 2.296 1.00 0.00 C HETATM 95 C DLY A 6 6.924 1.272 1.240 1.00 0.00 C HETATM 96 O DLY A 6 6.285 1.281 0.190 1.00 0.00 O HETATM 97 CB DLY A 6 7.357 3.695 1.954 1.00 0.00 C HETATM 98 CG DLY A 6 8.347 4.113 3.044 1.00 0.00 C HETATM 99 CD DLY A 6 8.443 5.637 3.140 1.00 0.00 C HETATM 100 CE DLY A 6 9.601 6.057 4.047 1.00 0.00 C HETATM 101 NZ DLY A 6 10.497 7.000 3.341 1.00 0.00 N HETATM 0 HZ2 DLY A 6 11.320 7.373 3.815 1.00 0.00 H new HETATM 0 HZ1 DLY A 6 10.292 7.277 2.381 1.00 0.00 H new HETATM 0 HG3 DLY A 6 8.032 3.703 4.004 1.00 0.00 H new HETATM 0 HG2 DLY A 6 9.330 3.696 2.827 1.00 0.00 H new HETATM 0 HE3 DLY A 6 9.211 6.524 4.951 1.00 0.00 H new HETATM 0 HE2 DLY A 6 10.163 5.177 4.360 1.00 0.00 H new HETATM 0 HD3 DLY A 6 8.584 6.060 2.145 1.00 0.00 H new HETATM 0 HD2 DLY A 6 7.508 6.040 3.528 1.00 0.00 H new HETATM 0 HB3 DLY A 6 7.875 3.615 0.998 1.00 0.00 H new HETATM 0 HB2 DLY A 6 6.592 4.463 1.839 1.00 0.00 H new HETATM 0 HA DLY A 6 7.180 2.019 3.213 1.00 0.00 H new ATOM 115 N ARG A 7 7.837 0.365 1.557 1.00 0.00 N ATOM 116 CA ARG A 7 8.154 -0.723 0.649 1.00 0.00 C ATOM 117 C ARG A 7 7.170 -1.880 0.840 1.00 0.00 C ATOM 118 O ARG A 7 7.384 -2.974 0.322 1.00 0.00 O ATOM 119 CB ARG A 7 9.579 -1.234 0.878 1.00 0.00 C ATOM 120 CG ARG A 7 10.458 -0.971 -0.347 1.00 0.00 C ATOM 121 CD ARG A 7 11.674 -1.900 -0.358 1.00 0.00 C ATOM 122 NE ARG A 7 12.752 -1.313 -1.184 1.00 0.00 N ATOM 123 CZ ARG A 7 13.646 -0.423 -0.730 1.00 0.00 C ATOM 124 NH1 ARG A 7 13.594 -0.012 0.545 1.00 0.00 N ATOM 125 NH2 ARG A 7 14.590 0.057 -1.550 1.00 0.00 N ATOM 0 H ARG A 7 8.366 0.362 2.429 1.00 0.00 H new ATOM 0 HA ARG A 7 8.075 -0.338 -0.368 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.009 -0.744 1.751 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.556 -2.303 1.091 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.875 -1.118 -1.256 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.789 0.068 -0.345 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.030 -2.059 0.660 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.393 -2.876 -0.753 1.00 0.00 H new ATOM 0 HE ARG A 7 12.819 -1.603 -2.159 1.00 0.00 H new ATOM 0 HH11 ARG A 7 12.874 -0.376 1.169 1.00 0.00 H new ATOM 0 HH12 ARG A 7 14.274 0.665 0.891 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.629 -0.255 -2.520 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.270 0.734 -1.204 1.00 0.00 H new ATOM 139 N TRP A 8 6.113 -1.596 1.586 1.00 0.00 N ATOM 140 CA TRP A 8 5.094 -2.598 1.853 1.00 0.00 C ATOM 141 C TRP A 8 3.803 -2.157 1.162 1.00 0.00 C ATOM 142 O TRP A 8 3.724 -1.069 0.598 1.00 0.00 O ATOM 143 CB TRP A 8 4.922 -2.819 3.357 1.00 0.00 C ATOM 144 CG TRP A 8 4.142 -4.085 3.715 1.00 0.00 C ATOM 145 CD1 TRP A 8 4.555 -5.359 3.635 1.00 0.00 C ATOM 146 CD2 TRP A 8 2.791 -4.150 4.215 1.00 0.00 C ATOM 147 NE1 TRP A 8 3.571 -6.235 4.046 1.00 0.00 N ATOM 148 CE2 TRP A 8 2.465 -5.477 4.411 1.00 0.00 C ATOM 149 CE3 TRP A 8 1.873 -3.122 4.496 1.00 0.00 C ATOM 150 CZ2 TRP A 8 1.218 -5.897 4.892 1.00 0.00 C ATOM 151 CZ3 TRP A 8 0.633 -3.559 4.975 1.00 0.00 C ATOM 152 CH2 TRP A 8 0.289 -4.890 5.178 1.00 0.00 C ATOM 0 H TRP A 8 5.940 -0.687 2.014 1.00 0.00 H new ATOM 0 HA TRP A 8 5.391 -3.566 1.449 1.00 0.00 H new ATOM 0 HB2 TRP A 8 5.907 -2.868 3.822 1.00 0.00 H new ATOM 0 HB3 TRP A 8 4.411 -1.957 3.784 1.00 0.00 H new ATOM 0 HD1 TRP A 8 5.534 -5.661 3.292 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.642 -7.252 4.076 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.107 -2.077 4.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.986 -6.942 5.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -0.109 -2.809 5.203 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.690 -5.146 5.555 1.00 0.00 H new HETATM 163 N ORN A 9 2.768 -3.061 1.227 1.00 0.00 N HETATM 164 CA ORN A 9 1.467 -2.800 0.621 1.00 0.00 C HETATM 165 CB ORN A 9 1.625 -2.496 -0.876 1.00 0.00 C HETATM 166 CG ORN A 9 1.982 -3.730 -1.711 1.00 0.00 C HETATM 167 CD ORN A 9 2.774 -3.332 -2.951 1.00 0.00 C HETATM 168 NE ORN A 9 2.785 -4.462 -3.909 1.00 0.00 N HETATM 169 C ORN A 9 0.628 -4.067 0.833 1.00 0.00 C HETATM 170 O ORN A 9 1.068 -5.190 0.604 1.00 0.00 O HETATM 0 HG3 ORN A 9 2.566 -4.426 -1.109 1.00 0.00 H new HETATM 0 HG2 ORN A 9 1.071 -4.251 -2.007 1.00 0.00 H new HETATM 0 HE2 ORN A 9 3.273 -4.370 -4.800 1.00 0.00 H new HETATM 0 HE1 ORN A 9 2.305 -5.332 -3.678 1.00 0.00 H new HETATM 0 HD3 ORN A 9 2.328 -2.452 -3.414 1.00 0.00 H new HETATM 0 HD2 ORN A 9 3.794 -3.065 -2.675 1.00 0.00 H new HETATM 0 HB3 ORN A 9 0.696 -2.067 -1.253 1.00 0.00 H new HETATM 0 HB2 ORN A 9 2.400 -1.741 -1.006 1.00 0.00 H new HETATM 0 HA ORN A 9 0.986 -1.933 1.074 1.00 0.00 H new HETATM 182 N DAB A 10 -0.652 -3.832 1.278 1.00 0.00 N HETATM 183 CA DAB A 10 -1.630 -4.895 1.492 1.00 0.00 C HETATM 184 C DAB A 10 -2.877 -4.488 0.693 1.00 0.00 C HETATM 185 O DAB A 10 -2.980 -3.299 0.399 1.00 0.00 O HETATM 186 CB DAB A 10 -2.014 -5.047 2.971 1.00 0.00 C HETATM 187 CG DAB A 10 -1.905 -6.483 3.465 1.00 0.00 C HETATM 188 ND DAB A 10 -3.203 -6.893 4.063 1.00 0.00 N HETATM 0 HG3 DAB A 10 -1.646 -7.146 2.639 1.00 0.00 H new HETATM 0 HG2 DAB A 10 -1.108 -6.567 4.204 1.00 0.00 H new HETATM 0 HD2 DAB A 10 -3.313 -7.831 4.448 1.00 0.00 H new HETATM 0 HD1 DAB A 10 -3.983 -6.236 4.088 1.00 0.00 H new HETATM 0 HB3 DAB A 10 -1.369 -4.410 3.576 1.00 0.00 H new HETATM 0 HB2 DAB A 10 -3.036 -4.695 3.114 1.00 0.00 H new HETATM 0 HA DAB A 10 -1.211 -5.850 1.175 1.00 0.00 H new HETATM 0 H DAB A 10 -0.887 -3.034 0.688 1.00 0.00 H new ATOM 198 N ALA A 11 -3.780 -5.414 0.402 1.00 0.00 N ATOM 199 CA ALA A 11 -5.000 -5.071 -0.310 1.00 0.00 C ATOM 200 C ALA A 11 -6.156 -4.970 0.686 1.00 0.00 C ATOM 201 O ALA A 11 -6.180 -5.680 1.689 1.00 0.00 O ATOM 202 CB ALA A 11 -5.262 -6.110 -1.403 1.00 0.00 C ATOM 0 H ALA A 11 -3.691 -6.400 0.646 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.900 -4.101 -0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.177 -5.853 -1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.425 -6.122 -2.101 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.371 -7.095 -0.950 1.00 0.00 H new ATOM 208 N LYS A 12 -7.087 -4.079 0.375 1.00 0.00 N ATOM 209 CA LYS A 12 -8.243 -3.874 1.231 1.00 0.00 C ATOM 210 C LYS A 12 -9.338 -3.158 0.439 1.00 0.00 C ATOM 211 O LYS A 12 -9.364 -1.942 0.253 1.00 0.00 O ATOM 212 CB LYS A 12 -7.837 -3.148 2.515 1.00 0.00 C ATOM 213 CG LYS A 12 -8.461 -3.814 3.743 1.00 0.00 C ATOM 214 CD LYS A 12 -7.408 -4.583 4.543 1.00 0.00 C ATOM 215 CE LYS A 12 -8.017 -5.822 5.202 1.00 0.00 C ATOM 216 NZ LYS A 12 -8.168 -6.913 4.212 1.00 0.00 N ATOM 0 H LYS A 12 -7.064 -3.491 -0.458 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.655 -4.831 1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.751 -3.148 2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.152 -2.106 2.463 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.923 -3.057 4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.253 -4.494 3.429 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.592 -4.881 3.885 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.980 -3.933 5.307 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.382 -6.154 6.024 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.988 -5.574 5.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.855 -7.610 4.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.506 -6.520 3.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.249 -7.377 4.064 1.00 0.00 H new HETATM 230 N DPR A 13 -10.309 -3.970 -0.061 1.00 0.00 N HETATM 231 CA DPR A 13 -11.541 -3.432 -0.712 1.00 0.00 C HETATM 232 CB DPR A 13 -12.325 -4.743 -0.945 1.00 0.00 C HETATM 233 CG DPR A 13 -11.253 -5.805 -1.206 1.00 0.00 C HETATM 234 CD DPR A 13 -10.112 -5.420 -0.265 1.00 0.00 C HETATM 235 C DPR A 13 -11.295 -2.559 -1.995 1.00 0.00 C HETATM 236 O DPR A 13 -11.002 -3.061 -3.081 1.00 0.00 O HETATM 0 HG3 DPR A 13 -11.624 -6.807 -0.993 1.00 0.00 H new HETATM 0 HG2 DPR A 13 -10.931 -5.799 -2.247 1.00 0.00 H new HETATM 0 HD3 DPR A 13 -9.138 -5.635 -0.705 1.00 0.00 H new HETATM 0 HD2 DPR A 13 -10.165 -5.969 0.675 1.00 0.00 H new HETATM 0 HB3 DPR A 13 -12.932 -5.000 -0.077 1.00 0.00 H new HETATM 0 HB2 DPR A 13 -13.004 -4.651 -1.792 1.00 0.00 H new HETATM 0 HA DPR A 13 -12.076 -2.695 -0.112 1.00 0.00 H new ATOM 244 N PRO A 14 -11.448 -1.227 -1.853 1.00 0.00 N ATOM 245 CA PRO A 14 -11.431 -0.303 -3.018 1.00 0.00 C ATOM 246 C PRO A 14 -10.040 0.033 -3.657 1.00 0.00 C ATOM 247 O PRO A 14 -9.901 0.994 -4.405 1.00 0.00 O ATOM 248 CB PRO A 14 -12.190 0.911 -2.436 1.00 0.00 C ATOM 249 CG PRO A 14 -11.967 0.857 -0.919 1.00 0.00 C ATOM 250 CD PRO A 14 -11.926 -0.637 -0.591 1.00 0.00 C ATOM 0 HA PRO A 14 -11.884 -0.749 -3.904 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.813 1.845 -2.853 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.252 0.860 -2.677 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.037 1.351 -0.637 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.771 1.360 -0.381 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.252 -0.852 0.238 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.908 -1.018 -0.311 1.00 0.00 H new TER 258 PRO A 14