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+ 144:sc= 0.0769 (180deg=-0.0404) USER MOD Single : A 1 THR OG1 : rot -160:sc= -2.97! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -9.045 -0.373 -2.852 1.00 0.00 N ATOM 2 CA THR A 1 -7.952 0.418 -2.312 1.00 0.00 C ATOM 3 C THR A 1 -6.745 -0.475 -2.012 1.00 0.00 C ATOM 4 O THR A 1 -6.755 -1.664 -2.326 1.00 0.00 O ATOM 5 CB THR A 1 -8.472 1.168 -1.084 1.00 0.00 C ATOM 6 OG1 THR A 1 -9.725 1.699 -1.507 1.00 0.00 O ATOM 7 CG2 THR A 1 -7.634 2.406 -0.756 1.00 0.00 C ATOM 0 H3 THR A 1 -9.950 0.002 -2.504 1.00 0.00 H new ATOM 0 HA THR A 1 -7.601 1.154 -3.036 1.00 0.00 H new ATOM 0 HB THR A 1 -8.480 0.497 -0.225 1.00 0.00 H new ATOM 0 HG1 THR A 1 -9.981 2.440 -0.919 1.00 0.00 H new ATOM 0 HG21 THR A 1 -8.046 2.901 0.123 1.00 0.00 H new ATOM 0 HG22 THR A 1 -6.605 2.106 -0.556 1.00 0.00 H new ATOM 0 HG23 THR A 1 -7.653 3.093 -1.602 1.00 0.00 H new ATOM 15 N TRP A 2 -5.735 0.134 -1.408 1.00 0.00 N ATOM 16 CA TRP A 2 -4.524 -0.591 -1.063 1.00 0.00 C ATOM 17 C TRP A 2 -3.790 0.204 0.019 1.00 0.00 C ATOM 18 O TRP A 2 -3.637 1.419 -0.094 1.00 0.00 O ATOM 19 CB TRP A 2 -3.665 -0.846 -2.303 1.00 0.00 C ATOM 20 CG TRP A 2 -3.844 -2.240 -2.907 1.00 0.00 C ATOM 21 CD1 TRP A 2 -4.790 -2.655 -3.761 1.00 0.00 C ATOM 22 CD2 TRP A 2 -3.011 -3.395 -2.668 1.00 0.00 C ATOM 23 NE1 TRP A 2 -4.629 -3.985 -4.088 1.00 0.00 N ATOM 24 CE2 TRP A 2 -3.511 -4.450 -3.402 1.00 0.00 C ATOM 25 CE3 TRP A 2 -1.871 -3.541 -1.858 1.00 0.00 C ATOM 26 CZ2 TRP A 2 -2.938 -5.727 -3.400 1.00 0.00 C ATOM 27 CZ3 TRP A 2 -1.309 -4.824 -1.866 1.00 0.00 C ATOM 28 CH2 TRP A 2 -1.802 -5.896 -2.599 1.00 0.00 C ATOM 0 H TRP A 2 -5.730 1.121 -1.149 1.00 0.00 H new ATOM 0 HA TRP A 2 -4.765 -1.578 -0.668 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -3.907 -0.100 -3.060 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -2.616 -0.707 -2.041 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -5.580 -2.026 -4.145 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -5.221 -4.528 -4.717 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -1.461 -2.729 -1.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -3.349 -6.537 -3.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -0.431 -4.991 -1.260 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -1.311 -6.857 -2.551 1.00 0.00 H new ATOM 39 N LEU A 3 -3.356 -0.515 1.044 1.00 0.00 N ATOM 40 CA LEU A 3 -2.641 0.108 2.146 1.00 0.00 C ATOM 41 C LEU A 3 -1.137 0.052 1.869 1.00 0.00 C ATOM 42 O LEU A 3 -0.399 -0.713 2.481 1.00 0.00 O ATOM 43 CB LEU A 3 -3.046 -0.530 3.476 1.00 0.00 C ATOM 44 CG LEU A 3 -4.361 -0.038 4.083 1.00 0.00 C ATOM 45 CD1 LEU A 3 -5.543 -0.869 3.581 1.00 0.00 C ATOM 46 CD2 LEU A 3 -4.285 -0.016 5.611 1.00 0.00 C ATOM 0 H LEU A 3 -3.485 -1.523 1.135 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.911 1.161 2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.116 -1.608 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.248 -0.356 4.198 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.526 0.988 3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.465 -0.498 4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.609 -0.790 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.399 -1.913 3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.233 0.338 6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.085 -1.022 5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.483 0.652 5.926 1.00 0.00 H new HETATM 58 N DAB A 4 -0.693 0.916 0.896 1.00 0.00 N HETATM 59 CA DAB A 4 0.712 1.033 0.513 1.00 0.00 C HETATM 60 C DAB A 4 1.390 1.832 1.634 1.00 0.00 C HETATM 61 O DAB A 4 0.964 2.962 1.858 1.00 0.00 O HETATM 62 CB DAB A 4 0.895 1.783 -0.814 1.00 0.00 C HETATM 63 CG DAB A 4 0.722 0.884 -2.031 1.00 0.00 C HETATM 64 ND DAB A 4 1.170 1.616 -3.244 1.00 0.00 N HETATM 0 HG3 DAB A 4 1.302 -0.031 -1.908 1.00 0.00 H new HETATM 0 HG2 DAB A 4 -0.322 0.588 -2.135 1.00 0.00 H new HETATM 0 HD2 DAB A 4 1.125 1.165 -4.158 1.00 0.00 H new HETATM 0 HD1 DAB A 4 1.522 2.570 -3.163 1.00 0.00 H new HETATM 0 HB3 DAB A 4 0.175 2.600 -0.866 1.00 0.00 H new HETATM 0 HB2 DAB A 4 1.888 2.232 -0.838 1.00 0.00 H new HETATM 0 HA DAB A 4 1.140 0.040 0.376 1.00 0.00 H new HETATM 74 N ORN A 5 2.457 1.271 2.300 1.00 0.00 N HETATM 75 CA ORN A 5 3.184 1.984 3.345 1.00 0.00 C HETATM 76 CB ORN A 5 2.686 1.554 4.733 1.00 0.00 C HETATM 77 CG ORN A 5 3.486 2.175 5.882 1.00 0.00 C HETATM 78 CD ORN A 5 2.554 2.805 6.911 1.00 0.00 C HETATM 79 NE ORN A 5 3.158 2.680 8.260 1.00 0.00 N HETATM 80 C ORN A 5 4.665 1.626 3.164 1.00 0.00 C HETATM 81 O ORN A 5 5.135 0.602 3.657 1.00 0.00 O HETATM 0 HG3 ORN A 5 4.099 1.410 6.359 1.00 0.00 H new HETATM 0 HG2 ORN A 5 4.167 2.931 5.490 1.00 0.00 H new HETATM 0 HE2 ORN A 5 2.668 3.050 9.075 1.00 0.00 H new HETATM 0 HE1 ORN A 5 4.064 2.224 8.373 1.00 0.00 H new HETATM 0 HD3 ORN A 5 2.385 3.855 6.671 1.00 0.00 H new HETATM 0 HD2 ORN A 5 1.582 2.312 6.888 1.00 0.00 H new HETATM 0 HB3 ORN A 5 1.637 1.832 4.838 1.00 0.00 H new HETATM 0 HB2 ORN A 5 2.737 0.468 4.809 1.00 0.00 H new HETATM 0 HA ORN A 5 3.031 3.061 3.270 1.00 0.00 H new HETATM 93 N DLY A 6 5.362 2.512 2.467 1.00 0.00 N HETATM 94 CA DLY A 6 6.782 2.326 2.228 1.00 0.00 C HETATM 95 C DLY A 6 6.980 1.221 1.189 1.00 0.00 C HETATM 96 O DLY A 6 6.338 1.228 0.140 1.00 0.00 O HETATM 97 CB DLY A 6 7.439 3.655 1.845 1.00 0.00 C HETATM 98 CG DLY A 6 8.916 3.670 2.241 1.00 0.00 C HETATM 99 CD DLY A 6 9.444 5.103 2.334 1.00 0.00 C HETATM 100 CE DLY A 6 10.249 5.472 1.087 1.00 0.00 C HETATM 101 NZ DLY A 6 11.467 6.227 1.459 1.00 0.00 N HETATM 0 HZ2 DLY A 6 12.111 6.546 0.735 1.00 0.00 H new HETATM 0 HZ1 DLY A 6 11.663 6.428 2.440 1.00 0.00 H new HETATM 0 HG3 DLY A 6 9.044 3.168 3.200 1.00 0.00 H new HETATM 0 HG2 DLY A 6 9.498 3.111 1.509 1.00 0.00 H new HETATM 0 HE3 DLY A 6 10.526 4.568 0.545 1.00 0.00 H new HETATM 0 HE2 DLY A 6 9.635 6.071 0.415 1.00 0.00 H new HETATM 0 HD3 DLY A 6 8.610 5.795 2.451 1.00 0.00 H new HETATM 0 HD2 DLY A 6 10.071 5.207 3.220 1.00 0.00 H new HETATM 0 HB3 DLY A 6 7.345 3.815 0.771 1.00 0.00 H new HETATM 0 HB2 DLY A 6 6.919 4.477 2.336 1.00 0.00 H new HETATM 0 HA DLY A 6 7.282 2.000 3.140 1.00 0.00 H new ATOM 115 N ARG A 7 7.871 0.296 1.518 1.00 0.00 N ATOM 116 CA ARG A 7 8.161 -0.813 0.627 1.00 0.00 C ATOM 117 C ARG A 7 7.146 -1.940 0.834 1.00 0.00 C ATOM 118 O ARG A 7 7.327 -3.044 0.325 1.00 0.00 O ATOM 119 CB ARG A 7 9.571 -1.358 0.865 1.00 0.00 C ATOM 120 CG ARG A 7 10.458 -1.137 -0.362 1.00 0.00 C ATOM 121 CD ARG A 7 11.643 -2.106 -0.362 1.00 0.00 C ATOM 122 NE ARG A 7 11.723 -2.806 -1.663 1.00 0.00 N ATOM 123 CZ ARG A 7 12.834 -3.389 -2.136 1.00 0.00 C ATOM 124 NH1 ARG A 7 13.964 -3.359 -1.416 1.00 0.00 N ATOM 125 NH2 ARG A 7 12.814 -4.001 -3.328 1.00 0.00 N ATOM 0 H ARG A 7 8.401 0.293 2.390 1.00 0.00 H new ATOM 0 HA ARG A 7 8.095 -0.442 -0.396 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.013 -0.866 1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.520 -2.422 1.094 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.871 -1.275 -1.270 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.823 -0.110 -0.371 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.569 -1.562 -0.175 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.531 -2.831 0.444 1.00 0.00 H new ATOM 0 HE ARG A 7 10.880 -2.848 -2.236 1.00 0.00 H new ATOM 0 HH11 ARG A 7 13.978 -2.893 -0.509 1.00 0.00 H new ATOM 0 HH12 ARG A 7 14.810 -3.802 -1.775 1.00 0.00 H new ATOM 0 HH21 ARG A 7 11.954 -4.023 -3.875 1.00 0.00 H new ATOM 0 HH22 ARG A 7 13.659 -4.444 -3.688 1.00 0.00 H new ATOM 139 N TRP A 8 6.100 -1.620 1.581 1.00 0.00 N ATOM 140 CA TRP A 8 5.056 -2.591 1.862 1.00 0.00 C ATOM 141 C TRP A 8 3.769 -2.110 1.187 1.00 0.00 C ATOM 142 O TRP A 8 3.712 -1.015 0.637 1.00 0.00 O ATOM 143 CB TRP A 8 4.896 -2.806 3.369 1.00 0.00 C ATOM 144 CG TRP A 8 4.077 -4.044 3.738 1.00 0.00 C ATOM 145 CD1 TRP A 8 4.407 -5.331 3.571 1.00 0.00 C ATOM 146 CD2 TRP A 8 2.769 -4.059 4.347 1.00 0.00 C ATOM 147 NE1 TRP A 8 3.412 -6.173 4.026 1.00 0.00 N ATOM 148 CE2 TRP A 8 2.384 -5.374 4.513 1.00 0.00 C ATOM 149 CE3 TRP A 8 1.938 -2.996 4.745 1.00 0.00 C ATOM 150 CZ2 TRP A 8 1.160 -5.749 5.079 1.00 0.00 C ATOM 151 CZ3 TRP A 8 0.718 -3.388 5.309 1.00 0.00 C ATOM 152 CH2 TRP A 8 0.316 -4.707 5.483 1.00 0.00 C ATOM 0 H TRP A 8 5.953 -0.702 2.000 1.00 0.00 H new ATOM 0 HA TRP A 8 5.319 -3.568 1.456 1.00 0.00 H new ATOM 0 HB2 TRP A 8 5.885 -2.889 3.821 1.00 0.00 H new ATOM 0 HB3 TRP A 8 4.421 -1.926 3.803 1.00 0.00 H new ATOM 0 HD1 TRP A 8 5.336 -5.668 3.135 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.428 -7.193 4.008 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.219 -1.960 4.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.882 -6.786 5.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.041 -2.610 5.632 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.643 -4.927 5.928 1.00 0.00 H new HETATM 163 N ORN A 9 2.714 -2.992 1.252 1.00 0.00 N HETATM 164 CA ORN A 9 1.414 -2.693 0.661 1.00 0.00 C HETATM 165 CB ORN A 9 1.567 -2.366 -0.833 1.00 0.00 C HETATM 166 CG ORN A 9 1.945 -3.583 -1.685 1.00 0.00 C HETATM 167 CD ORN A 9 2.946 -3.194 -2.765 1.00 0.00 C HETATM 168 NE ORN A 9 4.307 -3.604 -2.342 1.00 0.00 N HETATM 169 C ORN A 9 0.550 -3.946 0.856 1.00 0.00 C HETATM 170 O ORN A 9 0.919 -5.059 0.493 1.00 0.00 O HETATM 0 HG3 ORN A 9 2.371 -4.360 -1.050 1.00 0.00 H new HETATM 0 HG2 ORN A 9 1.051 -4.003 -2.145 1.00 0.00 H new HETATM 0 HE2 ORN A 9 5.106 -3.421 -2.948 1.00 0.00 H new HETATM 0 HE1 ORN A 9 4.444 -4.069 -1.445 1.00 0.00 H new HETATM 0 HD3 ORN A 9 2.686 -3.674 -3.708 1.00 0.00 H new HETATM 0 HD2 ORN A 9 2.914 -2.118 -2.936 1.00 0.00 H new HETATM 0 HB3 ORN A 9 0.631 -1.948 -1.204 1.00 0.00 H new HETATM 0 HB2 ORN A 9 2.329 -1.596 -0.953 1.00 0.00 H new HETATM 0 HA ORN A 9 0.955 -1.825 1.133 1.00 0.00 H new HETATM 0 H2 ORN A 9 2.782 -3.230 2.242 1.00 0.00 H new HETATM 182 N DAB A 10 -0.667 -3.709 1.449 1.00 0.00 N HETATM 183 CA DAB A 10 -1.661 -4.754 1.677 1.00 0.00 C HETATM 184 C DAB A 10 -2.876 -4.377 0.817 1.00 0.00 C HETATM 185 O DAB A 10 -2.938 -3.211 0.431 1.00 0.00 O HETATM 186 CB DAB A 10 -2.099 -4.833 3.148 1.00 0.00 C HETATM 187 CG DAB A 10 -2.505 -6.238 3.568 1.00 0.00 C HETATM 188 ND DAB A 10 -1.454 -7.200 3.140 1.00 0.00 N HETATM 0 HG3 DAB A 10 -2.638 -6.283 4.649 1.00 0.00 H new HETATM 0 HG2 DAB A 10 -3.462 -6.503 3.118 1.00 0.00 H new HETATM 0 HD2 DAB A 10 -1.561 -8.194 3.340 1.00 0.00 H new HETATM 0 HD1 DAB A 10 -0.627 -6.865 2.646 1.00 0.00 H new HETATM 0 HB3 DAB A 10 -1.283 -4.490 3.784 1.00 0.00 H new HETATM 0 HB2 DAB A 10 -2.936 -4.154 3.310 1.00 0.00 H new HETATM 0 HA DAB A 10 -1.239 -5.725 1.420 1.00 0.00 H new ATOM 198 N ALA A 11 -3.797 -5.298 0.574 1.00 0.00 N ATOM 199 CA ALA A 11 -4.988 -4.980 -0.196 1.00 0.00 C ATOM 200 C ALA A 11 -6.207 -4.997 0.729 1.00 0.00 C ATOM 201 O ALA A 11 -6.251 -5.763 1.691 1.00 0.00 O ATOM 202 CB ALA A 11 -5.125 -5.965 -1.358 1.00 0.00 C ATOM 0 H ALA A 11 -3.743 -6.264 0.897 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.912 -3.981 -0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.018 -5.725 -1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.248 -5.893 -2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.206 -6.979 -0.967 1.00 0.00 H new ATOM 208 N LYS A 12 -7.168 -4.143 0.406 1.00 0.00 N ATOM 209 CA LYS A 12 -8.383 -4.051 1.196 1.00 0.00 C ATOM 210 C LYS A 12 -9.471 -3.359 0.371 1.00 0.00 C ATOM 211 O LYS A 12 -9.682 -2.146 0.398 1.00 0.00 O ATOM 212 CB LYS A 12 -8.100 -3.369 2.537 1.00 0.00 C ATOM 213 CG LYS A 12 -9.040 -3.892 3.625 1.00 0.00 C ATOM 214 CD LYS A 12 -10.281 -3.005 3.752 1.00 0.00 C ATOM 215 CE LYS A 12 -11.558 -3.847 3.753 1.00 0.00 C ATOM 216 NZ LYS A 12 -12.402 -3.508 4.921 1.00 0.00 N ATOM 0 H LYS A 12 -7.129 -3.509 -0.392 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.754 -5.046 1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.065 -3.547 2.829 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.221 -2.291 2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.341 -4.913 3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.514 -3.926 4.579 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.224 -2.423 4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.310 -2.294 2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.115 -3.674 2.832 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.302 -4.906 3.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.265 -4.089 4.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.874 -3.695 5.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.661 -2.502 4.881 1.00 0.00 H new HETATM 230 N DPR A 13 -10.210 -4.186 -0.415 1.00 0.00 N HETATM 231 CA DPR A 13 -11.418 -3.715 -1.155 1.00 0.00 C HETATM 232 CB DPR A 13 -12.016 -5.069 -1.599 1.00 0.00 C HETATM 233 CG DPR A 13 -10.807 -5.981 -1.827 1.00 0.00 C HETATM 234 CD DPR A 13 -9.825 -5.580 -0.726 1.00 0.00 C HETATM 235 C DPR A 13 -11.137 -2.693 -2.315 1.00 0.00 C HETATM 236 O DPR A 13 -10.644 -3.041 -3.388 1.00 0.00 O HETATM 0 HG3 DPR A 13 -11.082 -7.033 -1.752 1.00 0.00 H new HETATM 0 HG2 DPR A 13 -10.377 -5.833 -2.818 1.00 0.00 H new HETATM 0 HD3 DPR A 13 -8.791 -5.645 -1.066 1.00 0.00 H new HETATM 0 HD2 DPR A 13 -9.915 -6.226 0.147 1.00 0.00 H new HETATM 0 HB3 DPR A 13 -12.679 -5.477 -0.836 1.00 0.00 H new HETATM 0 HB2 DPR A 13 -12.606 -4.960 -2.509 1.00 0.00 H new HETATM 0 HA DPR A 13 -12.096 -3.105 -0.558 1.00 0.00 H new ATOM 244 N PRO A 14 -11.491 -1.412 -2.084 1.00 0.00 N ATOM 245 CA PRO A 14 -11.457 -0.381 -3.155 1.00 0.00 C ATOM 246 C PRO A 14 -10.059 0.199 -3.558 1.00 0.00 C ATOM 247 O PRO A 14 -9.957 1.299 -4.091 1.00 0.00 O ATOM 248 CB PRO A 14 -12.452 0.657 -2.587 1.00 0.00 C ATOM 249 CG PRO A 14 -12.421 0.479 -1.064 1.00 0.00 C ATOM 250 CD PRO A 14 -12.208 -1.022 -0.857 1.00 0.00 C ATOM 0 HA PRO A 14 -11.722 -0.790 -4.130 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -12.163 1.670 -2.868 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.455 0.492 -2.979 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.616 1.060 -0.613 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -13.352 0.815 -0.606 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.623 -1.230 0.039 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -13.153 -1.556 -0.751 1.00 0.00 H new TER 258 PRO A 14