USER MOD reduce.3.24.130724 H: found=0, std=0, add=146, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 146 hydrogens (0 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 ARG H1 : A 1 ARG N : A 14 PRO C :(NH2R) USER MOD NoAdj-H: A 1 ARG H2 : A 1 ARG N : A 14 PRO C :(NH2R) USER MOD Single : A 1 ARG N :NH3+ 180:sc= -0.0229 (180deg=-0.0229) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.654 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.492 0.317 0.080 1.00 0.00 N ATOM 2 CA ARG A 1 2.135 0.206 -1.218 1.00 0.00 C ATOM 3 C ARG A 1 3.286 -0.800 -1.157 1.00 0.00 C ATOM 4 O ARG A 1 3.699 -1.209 -0.073 1.00 0.00 O ATOM 5 CB ARG A 1 2.675 1.560 -1.684 1.00 0.00 C ATOM 6 CG ARG A 1 2.527 1.718 -3.198 1.00 0.00 C ATOM 7 CD ARG A 1 1.528 2.825 -3.539 1.00 0.00 C ATOM 8 NE ARG A 1 0.562 2.340 -4.551 1.00 0.00 N ATOM 9 CZ ARG A 1 0.781 2.369 -5.873 1.00 0.00 C ATOM 10 NH1 ARG A 1 1.933 2.859 -6.351 1.00 0.00 N ATOM 11 NH2 ARG A 1 -0.153 1.908 -6.716 1.00 0.00 N ATOM 0 H3 ARG A 1 0.713 1.003 0.024 1.00 0.00 H new ATOM 0 HA ARG A 1 1.385 -0.138 -1.930 1.00 0.00 H new ATOM 0 HB2 ARG A 1 2.140 2.363 -1.177 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.725 1.652 -1.406 1.00 0.00 H new ATOM 0 HG2 ARG A 1 3.496 1.950 -3.639 1.00 0.00 H new ATOM 0 HG3 ARG A 1 2.195 0.776 -3.635 1.00 0.00 H new ATOM 0 HD2 ARG A 1 0.998 3.138 -2.639 1.00 0.00 H new ATOM 0 HD3 ARG A 1 2.057 3.699 -3.918 1.00 0.00 H new ATOM 0 HE ARG A 1 -0.325 1.960 -4.222 1.00 0.00 H new ATOM 0 HH11 ARG A 1 2.643 3.210 -5.709 1.00 0.00 H new ATOM 0 HH12 ARG A 1 2.099 2.881 -7.357 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -1.030 1.535 -6.351 1.00 0.00 H new ATOM 0 HH22 ARG A 1 0.013 1.930 -7.722 1.00 0.00 H new ATOM 25 N VAL A 2 3.771 -1.170 -2.333 1.00 0.00 N ATOM 26 CA VAL A 2 4.866 -2.120 -2.426 1.00 0.00 C ATOM 27 C VAL A 2 5.927 -1.578 -3.386 1.00 0.00 C ATOM 28 O VAL A 2 5.743 -1.611 -4.602 1.00 0.00 O ATOM 29 CB VAL A 2 4.333 -3.494 -2.838 1.00 0.00 C ATOM 30 CG1 VAL A 2 5.415 -4.311 -3.548 1.00 0.00 C ATOM 31 CG2 VAL A 2 3.778 -4.251 -1.630 1.00 0.00 C ATOM 0 H VAL A 2 3.425 -0.829 -3.230 1.00 0.00 H new ATOM 0 HA VAL A 2 5.343 -2.249 -1.454 1.00 0.00 H new ATOM 0 HB VAL A 2 3.515 -3.339 -3.541 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.010 -5.283 -3.830 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.743 -3.781 -4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.263 -4.452 -2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.406 -5.224 -1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.569 -4.390 -0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.964 -3.679 -1.185 1.00 0.00 H new ATOM 41 N ARG A 3 7.012 -1.091 -2.803 1.00 0.00 N ATOM 42 CA ARG A 3 8.102 -0.541 -3.593 1.00 0.00 C ATOM 43 C ARG A 3 9.057 -1.655 -4.027 1.00 0.00 C ATOM 44 O ARG A 3 8.770 -2.835 -3.830 1.00 0.00 O ATOM 45 CB ARG A 3 8.881 0.509 -2.799 1.00 0.00 C ATOM 46 CG ARG A 3 9.008 1.813 -3.590 1.00 0.00 C ATOM 47 CD ARG A 3 8.346 2.973 -2.844 1.00 0.00 C ATOM 48 NE ARG A 3 9.382 3.869 -2.282 1.00 0.00 N ATOM 49 CZ ARG A 3 9.117 5.033 -1.674 1.00 0.00 C ATOM 50 NH1 ARG A 3 7.851 5.450 -1.544 1.00 0.00 N ATOM 51 NH2 ARG A 3 10.121 5.781 -1.194 1.00 0.00 N ATOM 0 H ARG A 3 7.160 -1.065 -1.794 1.00 0.00 H new ATOM 0 HA ARG A 3 7.668 -0.066 -4.473 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.377 0.702 -1.852 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.873 0.127 -2.560 1.00 0.00 H new ATOM 0 HG2 ARG A 3 10.061 2.039 -3.760 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.545 1.695 -4.570 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.700 3.531 -3.522 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.713 2.588 -2.044 1.00 0.00 H new ATOM 0 HE ARG A 3 10.358 3.582 -2.363 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.087 4.881 -1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.651 6.336 -1.081 1.00 0.00 H new ATOM 0 HH21 ARG A 3 11.085 5.464 -1.292 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.920 6.667 -0.731 1.00 0.00 H new ATOM 65 N THR A 4 10.173 -1.241 -4.609 1.00 0.00 N ATOM 66 CA THR A 4 11.171 -2.189 -5.072 1.00 0.00 C ATOM 67 C THR A 4 12.575 -1.600 -4.924 1.00 0.00 C ATOM 68 O THR A 4 12.791 -0.421 -5.203 1.00 0.00 O ATOM 69 CB THR A 4 10.823 -2.576 -6.511 1.00 0.00 C ATOM 70 OG1 THR A 4 9.399 -2.586 -6.533 1.00 0.00 O ATOM 71 CG2 THR A 4 11.211 -4.020 -6.837 1.00 0.00 C ATOM 0 H THR A 4 10.408 -0.262 -4.770 1.00 0.00 H new ATOM 0 HA THR A 4 11.167 -3.095 -4.466 1.00 0.00 H new ATOM 0 HB THR A 4 11.326 -1.899 -7.202 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.087 -2.826 -7.431 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.943 -4.245 -7.869 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.286 -4.147 -6.705 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.681 -4.699 -6.169 1.00 0.00 H new ATOM 79 N ARG A 5 13.495 -2.446 -4.485 1.00 0.00 N ATOM 80 CA ARG A 5 14.873 -2.024 -4.296 1.00 0.00 C ATOM 81 C ARG A 5 15.822 -3.208 -4.492 1.00 0.00 C ATOM 82 O ARG A 5 15.420 -4.361 -4.344 1.00 0.00 O ATOM 83 CB ARG A 5 15.082 -1.436 -2.899 1.00 0.00 C ATOM 84 CG ARG A 5 14.713 0.047 -2.867 1.00 0.00 C ATOM 85 CD ARG A 5 15.743 0.886 -3.627 1.00 0.00 C ATOM 86 NE ARG A 5 15.338 1.023 -5.044 1.00 0.00 N ATOM 87 CZ ARG A 5 14.429 1.904 -5.484 1.00 0.00 C ATOM 88 NH1 ARG A 5 13.825 2.731 -4.619 1.00 0.00 N ATOM 89 NH2 ARG A 5 14.125 1.958 -6.787 1.00 0.00 N ATOM 0 H ARG A 5 13.313 -3.423 -4.254 1.00 0.00 H new ATOM 0 HA ARG A 5 15.089 -1.255 -5.037 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.474 -1.981 -2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 5 16.123 -1.562 -2.600 1.00 0.00 H new ATOM 0 HG2 ARG A 5 13.726 0.189 -3.308 1.00 0.00 H new ATOM 0 HG3 ARG A 5 14.652 0.388 -1.833 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.831 1.871 -3.169 1.00 0.00 H new ATOM 0 HD3 ARG A 5 16.724 0.416 -3.565 1.00 0.00 H new ATOM 0 HE ARG A 5 15.778 0.408 -5.729 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.057 2.689 -3.627 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.133 3.402 -4.953 1.00 0.00 H new ATOM 0 HH21 ARG A 5 14.585 1.329 -7.445 1.00 0.00 H new ATOM 0 HH22 ARG A 5 13.433 2.629 -7.122 1.00 0.00 H new ATOM 103 N LYS A 6 17.063 -2.882 -4.820 1.00 0.00 N ATOM 104 CA LYS A 6 18.073 -3.904 -5.038 1.00 0.00 C ATOM 105 C LYS A 6 17.472 -5.040 -5.869 1.00 0.00 C ATOM 106 O LYS A 6 17.664 -6.212 -5.553 1.00 0.00 O ATOM 107 CB LYS A 6 18.665 -4.363 -3.704 1.00 0.00 C ATOM 108 CG LYS A 6 20.163 -4.060 -3.635 1.00 0.00 C ATOM 109 CD LYS A 6 20.409 -2.584 -3.319 1.00 0.00 C ATOM 110 CE LYS A 6 21.331 -1.946 -4.361 1.00 0.00 C ATOM 111 NZ LYS A 6 21.057 -0.496 -4.476 1.00 0.00 N ATOM 0 H LYS A 6 17.393 -1.924 -4.940 1.00 0.00 H new ATOM 0 HA LYS A 6 18.909 -3.500 -5.609 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.151 -3.863 -2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 6 18.501 -5.433 -3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 6 20.629 -4.682 -2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 6 20.634 -4.316 -4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 6 19.459 -2.051 -3.294 1.00 0.00 H new ATOM 0 HD3 LYS A 6 20.854 -2.490 -2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 6 22.372 -2.104 -4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.185 -2.428 -5.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.691 -0.078 -5.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.069 -0.351 -4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 21.219 -0.038 -3.556 1.00 0.00 H new ATOM 125 N GLY A 7 16.758 -4.651 -6.915 1.00 0.00 N ATOM 126 CA GLY A 7 16.128 -5.622 -7.793 1.00 0.00 C ATOM 127 C GLY A 7 15.305 -6.633 -6.992 1.00 0.00 C ATOM 128 O GLY A 7 15.242 -7.809 -7.348 1.00 0.00 O ATOM 0 H GLY A 7 16.602 -3.677 -7.174 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.484 -5.108 -8.507 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.891 -6.145 -8.370 1.00 0.00 H new ATOM 132 N ARG A 8 14.694 -6.138 -5.925 1.00 0.00 N ATOM 133 CA ARG A 8 13.877 -6.984 -5.072 1.00 0.00 C ATOM 134 C ARG A 8 12.589 -6.256 -4.680 1.00 0.00 C ATOM 135 O ARG A 8 12.497 -5.037 -4.810 1.00 0.00 O ATOM 136 CB ARG A 8 14.635 -7.381 -3.803 1.00 0.00 C ATOM 137 CG ARG A 8 15.811 -8.303 -4.133 1.00 0.00 C ATOM 138 CD ARG A 8 15.858 -9.497 -3.178 1.00 0.00 C ATOM 139 NE ARG A 8 17.199 -9.599 -2.561 1.00 0.00 N ATOM 140 CZ ARG A 8 17.707 -8.693 -1.714 1.00 0.00 C ATOM 141 NH1 ARG A 8 16.990 -7.613 -1.379 1.00 0.00 N ATOM 142 NH2 ARG A 8 18.933 -8.869 -1.203 1.00 0.00 N ATOM 0 H ARG A 8 14.749 -5.162 -5.632 1.00 0.00 H new ATOM 0 HA ARG A 8 13.633 -7.885 -5.634 1.00 0.00 H new ATOM 0 HB2 ARG A 8 15.000 -6.487 -3.298 1.00 0.00 H new ATOM 0 HB3 ARG A 8 13.957 -7.883 -3.112 1.00 0.00 H new ATOM 0 HG2 ARG A 8 15.722 -8.658 -5.160 1.00 0.00 H new ATOM 0 HG3 ARG A 8 16.745 -7.744 -4.068 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.100 -9.383 -2.403 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.627 -10.415 -3.718 1.00 0.00 H new ATOM 0 HE ARG A 8 17.773 -10.409 -2.795 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.057 -7.480 -1.768 1.00 0.00 H new ATOM 0 HH12 ARG A 8 17.377 -6.924 -0.734 1.00 0.00 H new ATOM 0 HH21 ARG A 8 19.479 -9.692 -1.459 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.321 -8.180 -0.558 1.00 0.00 H new ATOM 156 N ARG A 9 11.627 -7.035 -4.209 1.00 0.00 N ATOM 157 CA ARG A 9 10.349 -6.481 -3.798 1.00 0.00 C ATOM 158 C ARG A 9 10.280 -6.377 -2.273 1.00 0.00 C ATOM 159 O ARG A 9 10.851 -7.205 -1.565 1.00 0.00 O ATOM 160 CB ARG A 9 9.187 -7.344 -4.296 1.00 0.00 C ATOM 161 CG ARG A 9 7.849 -6.819 -3.773 1.00 0.00 C ATOM 162 CD ARG A 9 7.399 -7.599 -2.536 1.00 0.00 C ATOM 163 NE ARG A 9 6.965 -8.960 -2.926 1.00 0.00 N ATOM 164 CZ ARG A 9 5.837 -9.224 -3.597 1.00 0.00 C ATOM 165 NH1 ARG A 9 5.021 -8.225 -3.957 1.00 0.00 N ATOM 166 NH2 ARG A 9 5.524 -10.489 -3.909 1.00 0.00 N ATOM 0 H ARG A 9 11.707 -8.046 -4.103 1.00 0.00 H new ATOM 0 HA ARG A 9 10.263 -5.487 -4.238 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.177 -7.353 -5.386 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.329 -8.374 -3.970 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.941 -5.761 -3.527 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.092 -6.900 -4.553 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.216 -7.661 -1.818 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.580 -7.075 -2.043 1.00 0.00 H new ATOM 0 HE ARG A 9 7.563 -9.745 -2.667 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.259 -7.262 -3.720 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.162 -8.427 -4.468 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.145 -11.250 -3.635 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.665 -10.691 -4.420 1.00 0.00 H new ATOM 180 N ILE A 10 9.579 -5.351 -1.813 1.00 0.00 N ATOM 181 CA ILE A 10 9.429 -5.128 -0.384 1.00 0.00 C ATOM 182 C ILE A 10 8.016 -4.617 -0.098 1.00 0.00 C ATOM 183 O ILE A 10 7.344 -4.105 -0.992 1.00 0.00 O ATOM 184 CB ILE A 10 10.534 -4.204 0.132 1.00 0.00 C ATOM 185 CG1 ILE A 10 11.781 -4.295 -0.750 1.00 0.00 C ATOM 186 CG2 ILE A 10 10.848 -4.494 1.602 1.00 0.00 C ATOM 187 CD1 ILE A 10 11.578 -3.538 -2.064 1.00 0.00 C ATOM 0 H ILE A 10 9.109 -4.665 -2.404 1.00 0.00 H new ATOM 0 HA ILE A 10 9.546 -6.064 0.163 1.00 0.00 H new ATOM 0 HB ILE A 10 10.175 -3.176 0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.638 -3.884 -0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.008 -5.340 -0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.637 -3.824 1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.952 -4.338 2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 10 11.179 -5.527 1.706 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.479 -3.618 -2.673 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.735 -3.968 -2.605 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.376 -2.488 -1.852 1.00 0.00 H new ATOM 199 N ARG A 11 7.607 -4.774 1.152 1.00 0.00 N ATOM 200 CA ARG A 11 6.285 -4.334 1.567 1.00 0.00 C ATOM 201 C ARG A 11 6.396 -3.349 2.734 1.00 0.00 C ATOM 202 O ARG A 11 7.208 -3.540 3.637 1.00 0.00 O ATOM 203 CB ARG A 11 5.418 -5.521 1.992 1.00 0.00 C ATOM 204 CG ARG A 11 3.936 -5.233 1.743 1.00 0.00 C ATOM 205 CD ARG A 11 3.102 -6.510 1.865 1.00 0.00 C ATOM 206 NE ARG A 11 2.883 -6.838 3.291 1.00 0.00 N ATOM 207 CZ ARG A 11 2.204 -7.910 3.720 1.00 0.00 C ATOM 208 NH1 ARG A 11 1.674 -8.766 2.836 1.00 0.00 N ATOM 209 NH2 ARG A 11 2.055 -8.127 5.035 1.00 0.00 N ATOM 0 H ARG A 11 8.167 -5.199 1.891 1.00 0.00 H new ATOM 0 HA ARG A 11 5.816 -3.842 0.715 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.717 -6.411 1.439 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.579 -5.733 3.049 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.580 -4.492 2.459 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.807 -4.804 0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.144 -6.378 1.363 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.611 -7.335 1.368 1.00 0.00 H new ATOM 0 HE ARG A 11 3.274 -6.208 3.992 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.787 -8.602 1.836 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.157 -9.582 3.163 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.459 -7.476 5.708 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.538 -8.943 5.362 1.00 0.00 H new ATOM 223 N ILE A 12 5.567 -2.317 2.675 1.00 0.00 N ATOM 224 CA ILE A 12 5.561 -1.302 3.714 1.00 0.00 C ATOM 225 C ILE A 12 4.289 -0.462 3.594 1.00 0.00 C ATOM 226 O ILE A 12 4.183 0.519 2.857 1.00 0.00 O ATOM 227 CB ILE A 12 6.849 -0.477 3.665 1.00 0.00 C ATOM 228 CG1 ILE A 12 7.192 0.087 5.045 1.00 0.00 C ATOM 229 CG2 ILE A 12 6.758 0.621 2.604 1.00 0.00 C ATOM 230 CD1 ILE A 12 8.294 -0.736 5.716 1.00 0.00 C ATOM 0 H ILE A 12 4.895 -2.162 1.924 1.00 0.00 H new ATOM 0 HA ILE A 12 5.544 -1.767 4.700 1.00 0.00 H new ATOM 0 HB ILE A 12 7.666 -1.138 3.375 1.00 0.00 H new ATOM 0 HG12 ILE A 12 7.515 1.123 4.948 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.301 0.088 5.673 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.686 1.192 2.591 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.596 0.169 1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.927 1.286 2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.518 -0.313 6.695 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.958 -1.766 5.834 1.00 0.00 H new ATOM 0 HD13 ILE A 12 9.191 -0.715 5.098 1.00 0.00 H new ATOM 242 N PRO A 13 3.251 -0.874 4.371 1.00 0.00 N ATOM 243 CA PRO A 13 1.994 -0.081 4.512 1.00 0.00 C ATOM 244 C PRO A 13 1.104 -0.002 3.218 1.00 0.00 C ATOM 245 O PRO A 13 0.567 -0.998 2.732 1.00 0.00 O ATOM 246 CB PRO A 13 1.347 -0.800 5.716 1.00 0.00 C ATOM 247 CG PRO A 13 1.777 -2.264 5.583 1.00 0.00 C ATOM 248 CD PRO A 13 3.210 -2.184 5.058 1.00 0.00 C ATOM 0 HA PRO A 13 2.155 0.986 4.667 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.687 -0.373 6.660 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.261 -0.704 5.696 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.732 -2.782 6.541 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.130 -2.809 4.895 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.938 -2.236 5.868 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.434 -3.003 4.375 1.00 0.00 H new ATOM 256 N PRO A 14 0.935 1.224 2.681 1.00 0.00 N ATOM 257 CA PRO A 14 -0.027 1.473 1.576 1.00 0.00 C ATOM 258 C PRO A 14 0.213 0.722 0.222 1.00 0.00 C ATOM 259 O PRO A 14 -0.572 0.833 -0.714 1.00 0.00 O ATOM 260 CB PRO A 14 0.031 3.014 1.484 1.00 0.00 C ATOM 261 CG PRO A 14 1.416 3.415 2.009 1.00 0.00 C ATOM 262 CD PRO A 14 1.717 2.396 3.110 1.00 0.00 C ATOM 0 HA PRO A 14 -1.013 1.060 1.788 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.109 3.349 0.456 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.760 3.471 2.079 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.166 3.379 1.219 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.413 4.433 2.400 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.782 2.172 3.176 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.406 2.755 4.091 1.00 0.00 H new TER 270 PRO A 14