USER MOD reduce.3.24.130724 H: found=0, std=0, add=146, rem=0, adj=2 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 H3 : A 1 ARG N : A 14 PRO C :(NH2R) USER MOD Single : A 1 ARG N :NH3+ 173:sc= -0.63 (180deg=-1.07!) USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.565 0.610 -0.464 1.00 0.00 N ATOM 2 CA ARG A 1 2.114 -0.722 -0.827 1.00 0.00 C ATOM 3 C ARG A 1 3.080 -1.356 -1.830 1.00 0.00 C ATOM 4 O ARG A 1 3.337 -0.790 -2.892 1.00 0.00 O ATOM 5 CB ARG A 1 0.711 -0.682 -1.435 1.00 0.00 C ATOM 6 CG ARG A 1 0.068 -2.071 -1.426 1.00 0.00 C ATOM 7 CD ARG A 1 -1.058 -2.147 -0.393 1.00 0.00 C ATOM 8 NE ARG A 1 -2.220 -2.863 -0.964 1.00 0.00 N ATOM 9 CZ ARG A 1 -2.295 -4.196 -1.088 1.00 0.00 C ATOM 10 NH1 ARG A 1 -1.275 -4.964 -0.681 1.00 0.00 N ATOM 11 NH2 ARG A 1 -3.389 -4.759 -1.617 1.00 0.00 N ATOM 0 H2 ARG A 1 1.842 1.073 0.123 1.00 0.00 H new ATOM 0 HA ARG A 1 2.086 -1.321 0.083 1.00 0.00 H new ATOM 0 HB2 ARG A 1 0.088 0.015 -0.874 1.00 0.00 H new ATOM 0 HB3 ARG A 1 0.765 -0.309 -2.458 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -0.326 -2.300 -2.416 1.00 0.00 H new ATOM 0 HG3 ARG A 1 0.824 -2.824 -1.202 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -0.708 -2.661 0.502 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -1.353 -1.142 -0.089 1.00 0.00 H new ATOM 0 HE ARG A 1 -3.014 -2.308 -1.283 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -0.443 -4.534 -0.277 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -1.331 -5.978 -0.775 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -4.165 -4.174 -1.926 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -3.446 -5.773 -1.711 1.00 0.00 H new ATOM 25 N VAL A 2 3.589 -2.522 -1.459 1.00 0.00 N ATOM 26 CA VAL A 2 4.521 -3.238 -2.312 1.00 0.00 C ATOM 27 C VAL A 2 5.490 -2.241 -2.952 1.00 0.00 C ATOM 28 O VAL A 2 5.230 -1.726 -4.038 1.00 0.00 O ATOM 29 CB VAL A 2 3.754 -4.070 -3.343 1.00 0.00 C ATOM 30 CG1 VAL A 2 4.525 -4.156 -4.661 1.00 0.00 C ATOM 31 CG2 VAL A 2 3.441 -5.464 -2.797 1.00 0.00 C ATOM 0 H VAL A 2 3.373 -2.989 -0.578 1.00 0.00 H new ATOM 0 HA VAL A 2 5.115 -3.938 -1.724 1.00 0.00 H new ATOM 0 HB VAL A 2 2.807 -3.568 -3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.958 -4.752 -5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.673 -3.153 -5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.494 -4.624 -4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.896 -6.035 -3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.372 -5.978 -2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.832 -5.374 -1.897 1.00 0.00 H new ATOM 41 N ARG A 3 6.587 -1.997 -2.250 1.00 0.00 N ATOM 42 CA ARG A 3 7.596 -1.071 -2.736 1.00 0.00 C ATOM 43 C ARG A 3 8.598 -1.800 -3.633 1.00 0.00 C ATOM 44 O ARG A 3 8.350 -2.927 -4.058 1.00 0.00 O ATOM 45 CB ARG A 3 8.345 -0.415 -1.574 1.00 0.00 C ATOM 46 CG ARG A 3 8.552 1.079 -1.829 1.00 0.00 C ATOM 47 CD ARG A 3 9.980 1.503 -1.478 1.00 0.00 C ATOM 48 NE ARG A 3 10.086 2.979 -1.484 1.00 0.00 N ATOM 49 CZ ARG A 3 11.245 3.649 -1.428 1.00 0.00 C ATOM 50 NH1 ARG A 3 12.403 2.980 -1.361 1.00 0.00 N ATOM 51 NH2 ARG A 3 11.245 4.989 -1.441 1.00 0.00 N ATOM 0 H ARG A 3 6.799 -2.424 -1.349 1.00 0.00 H new ATOM 0 HA ARG A 3 7.087 -0.296 -3.310 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.784 -0.556 -0.650 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.311 -0.902 -1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.349 1.304 -2.876 1.00 0.00 H new ATOM 0 HG3 ARG A 3 7.842 1.655 -1.236 1.00 0.00 H new ATOM 0 HD2 ARG A 3 10.253 1.115 -0.497 1.00 0.00 H new ATOM 0 HD3 ARG A 3 10.681 1.077 -2.195 1.00 0.00 H new ATOM 0 HE ARG A 3 9.223 3.520 -1.534 1.00 0.00 H new ATOM 0 HH11 ARG A 3 12.403 1.960 -1.353 1.00 0.00 H new ATOM 0 HH12 ARG A 3 13.285 3.490 -1.318 1.00 0.00 H new ATOM 0 HH21 ARG A 3 10.363 5.499 -1.493 1.00 0.00 H new ATOM 0 HH22 ARG A 3 12.127 5.499 -1.398 1.00 0.00 H new ATOM 65 N THR A 4 9.708 -1.126 -3.895 1.00 0.00 N ATOM 66 CA THR A 4 10.748 -1.695 -4.735 1.00 0.00 C ATOM 67 C THR A 4 12.117 -1.137 -4.341 1.00 0.00 C ATOM 68 O THR A 4 12.233 0.033 -3.979 1.00 0.00 O ATOM 69 CB THR A 4 10.379 -1.424 -6.195 1.00 0.00 C ATOM 70 OG1 THR A 4 8.970 -1.630 -6.240 1.00 0.00 O ATOM 71 CG2 THR A 4 10.941 -2.481 -7.148 1.00 0.00 C ATOM 0 H THR A 4 9.910 -0.191 -3.540 1.00 0.00 H new ATOM 0 HA THR A 4 10.820 -2.774 -4.598 1.00 0.00 H new ATOM 0 HB THR A 4 10.749 -0.441 -6.486 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.646 -1.474 -7.151 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.650 -2.241 -8.170 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.028 -2.496 -7.074 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.546 -3.461 -6.879 1.00 0.00 H new ATOM 79 N ARG A 5 13.119 -1.999 -4.426 1.00 0.00 N ATOM 80 CA ARG A 5 14.476 -1.607 -4.082 1.00 0.00 C ATOM 81 C ARG A 5 15.432 -2.786 -4.269 1.00 0.00 C ATOM 82 O ARG A 5 15.002 -3.937 -4.325 1.00 0.00 O ATOM 83 CB ARG A 5 14.557 -1.116 -2.636 1.00 0.00 C ATOM 84 CG ARG A 5 15.931 -0.514 -2.338 1.00 0.00 C ATOM 85 CD ARG A 5 15.950 0.159 -0.964 1.00 0.00 C ATOM 86 NE ARG A 5 17.345 0.317 -0.496 1.00 0.00 N ATOM 87 CZ ARG A 5 17.691 0.514 0.784 1.00 0.00 C ATOM 88 NH1 ARG A 5 16.745 0.577 1.730 1.00 0.00 N ATOM 89 NH2 ARG A 5 18.982 0.647 1.116 1.00 0.00 N ATOM 0 H ARG A 5 13.019 -2.968 -4.728 1.00 0.00 H new ATOM 0 HA ARG A 5 14.765 -0.792 -4.746 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.783 -0.370 -2.458 1.00 0.00 H new ATOM 0 HB3 ARG A 5 14.364 -1.945 -1.955 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.690 -1.296 -2.374 1.00 0.00 H new ATOM 0 HG3 ARG A 5 16.187 0.215 -3.107 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.464 1.133 -1.021 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.384 -0.438 -0.250 1.00 0.00 H new ATOM 0 HE ARG A 5 18.090 0.273 -1.191 1.00 0.00 H new ATOM 0 HH11 ARG A 5 15.762 0.475 1.476 1.00 0.00 H new ATOM 0 HH12 ARG A 5 17.007 0.727 2.704 1.00 0.00 H new ATOM 0 HH21 ARG A 5 19.702 0.598 0.395 1.00 0.00 H new ATOM 0 HH22 ARG A 5 19.245 0.797 2.090 1.00 0.00 H new ATOM 103 N LYS A 6 16.713 -2.458 -4.359 1.00 0.00 N ATOM 104 CA LYS A 6 17.734 -3.476 -4.538 1.00 0.00 C ATOM 105 C LYS A 6 17.246 -4.511 -5.553 1.00 0.00 C ATOM 106 O LYS A 6 17.527 -5.701 -5.418 1.00 0.00 O ATOM 107 CB LYS A 6 18.132 -4.079 -3.188 1.00 0.00 C ATOM 108 CG LYS A 6 17.309 -5.333 -2.884 1.00 0.00 C ATOM 109 CD LYS A 6 16.919 -5.387 -1.406 1.00 0.00 C ATOM 110 CE LYS A 6 18.024 -6.038 -0.571 1.00 0.00 C ATOM 111 NZ LYS A 6 17.928 -7.513 -0.644 1.00 0.00 N ATOM 0 H LYS A 6 17.067 -1.502 -4.311 1.00 0.00 H new ATOM 0 HA LYS A 6 18.644 -3.035 -4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 6 19.193 -4.329 -3.196 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.984 -3.342 -2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.411 -5.341 -3.501 1.00 0.00 H new ATOM 0 HG3 LYS A 6 17.884 -6.222 -3.145 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.728 -4.378 -1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.992 -5.949 -1.291 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.000 -5.713 -0.932 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.943 -5.713 0.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.685 -7.939 -0.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.004 -7.819 -0.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.028 -7.819 -1.633 1.00 0.00 H new ATOM 125 N GLY A 7 16.522 -4.020 -6.550 1.00 0.00 N ATOM 126 CA GLY A 7 15.991 -4.887 -7.588 1.00 0.00 C ATOM 127 C GLY A 7 15.235 -6.070 -6.980 1.00 0.00 C ATOM 128 O GLY A 7 15.279 -7.178 -7.511 1.00 0.00 O ATOM 0 H GLY A 7 16.291 -3.033 -6.660 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.324 -4.318 -8.236 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.806 -5.254 -8.213 1.00 0.00 H new ATOM 132 N ARG A 8 14.559 -5.794 -5.874 1.00 0.00 N ATOM 133 CA ARG A 8 13.794 -6.822 -5.189 1.00 0.00 C ATOM 134 C ARG A 8 12.419 -6.283 -4.789 1.00 0.00 C ATOM 135 O ARG A 8 12.207 -5.071 -4.765 1.00 0.00 O ATOM 136 CB ARG A 8 14.526 -7.311 -3.939 1.00 0.00 C ATOM 137 CG ARG A 8 15.806 -8.062 -4.310 1.00 0.00 C ATOM 138 CD ARG A 8 15.490 -9.479 -4.793 1.00 0.00 C ATOM 139 NE ARG A 8 15.345 -10.389 -3.634 1.00 0.00 N ATOM 140 CZ ARG A 8 14.178 -10.664 -3.036 1.00 0.00 C ATOM 141 NH1 ARG A 8 13.047 -10.103 -3.484 1.00 0.00 N ATOM 142 NH2 ARG A 8 14.143 -11.501 -1.991 1.00 0.00 N ATOM 0 H ARG A 8 14.525 -4.874 -5.436 1.00 0.00 H new ATOM 0 HA ARG A 8 13.673 -7.659 -5.876 1.00 0.00 H new ATOM 0 HB2 ARG A 8 14.771 -6.462 -3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 8 13.871 -7.964 -3.362 1.00 0.00 H new ATOM 0 HG2 ARG A 8 16.338 -7.518 -5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 8 16.468 -8.108 -3.446 1.00 0.00 H new ATOM 0 HD2 ARG A 8 14.572 -9.476 -5.380 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.286 -9.835 -5.448 1.00 0.00 H new ATOM 0 HE ARG A 8 16.186 -10.834 -3.268 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.074 -9.466 -4.280 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.159 -10.312 -3.029 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.004 -11.929 -1.651 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.255 -11.711 -1.535 1.00 0.00 H new ATOM 156 N ARG A 9 11.521 -7.208 -4.485 1.00 0.00 N ATOM 157 CA ARG A 9 10.173 -6.840 -4.087 1.00 0.00 C ATOM 158 C ARG A 9 10.032 -6.906 -2.565 1.00 0.00 C ATOM 159 O ARG A 9 10.453 -7.878 -1.940 1.00 0.00 O ATOM 160 CB ARG A 9 9.138 -7.766 -4.728 1.00 0.00 C ATOM 161 CG ARG A 9 7.751 -7.543 -4.120 1.00 0.00 C ATOM 162 CD ARG A 9 7.488 -8.531 -2.982 1.00 0.00 C ATOM 163 NE ARG A 9 7.127 -9.856 -3.534 1.00 0.00 N ATOM 164 CZ ARG A 9 7.993 -10.865 -3.691 1.00 0.00 C ATOM 165 NH1 ARG A 9 9.276 -10.708 -3.339 1.00 0.00 N ATOM 166 NH2 ARG A 9 7.577 -12.033 -4.201 1.00 0.00 N ATOM 0 H ARG A 9 11.700 -8.212 -4.506 1.00 0.00 H new ATOM 0 HA ARG A 9 9.993 -5.820 -4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.101 -7.587 -5.803 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.438 -8.805 -4.588 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.674 -6.522 -3.746 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.989 -7.659 -4.891 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.374 -8.619 -2.354 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.683 -8.161 -2.347 1.00 0.00 H new ATOM 0 HE ARG A 9 6.158 -10.010 -3.812 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.593 -9.820 -2.951 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.935 -11.477 -3.459 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.600 -12.153 -4.470 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.237 -12.801 -4.320 1.00 0.00 H new ATOM 180 N ILE A 10 9.438 -5.859 -2.011 1.00 0.00 N ATOM 181 CA ILE A 10 9.237 -5.786 -0.575 1.00 0.00 C ATOM 182 C ILE A 10 7.886 -5.127 -0.286 1.00 0.00 C ATOM 183 O ILE A 10 7.271 -4.548 -1.180 1.00 0.00 O ATOM 184 CB ILE A 10 10.419 -5.085 0.098 1.00 0.00 C ATOM 185 CG1 ILE A 10 11.741 -5.493 -0.555 1.00 0.00 C ATOM 186 CG2 ILE A 10 10.422 -5.338 1.606 1.00 0.00 C ATOM 187 CD1 ILE A 10 12.120 -6.926 -0.176 1.00 0.00 C ATOM 0 H ILE A 10 9.090 -5.054 -2.532 1.00 0.00 H new ATOM 0 HA ILE A 10 9.203 -6.787 -0.145 1.00 0.00 H new ATOM 0 HB ILE A 10 10.306 -4.011 -0.046 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.657 -5.410 -1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.531 -4.810 -0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.272 -4.828 2.059 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.498 -4.958 2.041 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.498 -6.409 1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.063 -7.191 -0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.227 -7.000 0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.340 -7.609 -0.511 1.00 0.00 H new ATOM 199 N ARG A 11 7.466 -5.238 0.966 1.00 0.00 N ATOM 200 CA ARG A 11 6.199 -4.660 1.383 1.00 0.00 C ATOM 201 C ARG A 11 6.416 -3.683 2.540 1.00 0.00 C ATOM 202 O ARG A 11 7.193 -3.960 3.453 1.00 0.00 O ATOM 203 CB ARG A 11 5.215 -5.747 1.820 1.00 0.00 C ATOM 204 CG ARG A 11 3.771 -5.323 1.545 1.00 0.00 C ATOM 205 CD ARG A 11 2.785 -6.391 2.023 1.00 0.00 C ATOM 206 NE ARG A 11 2.663 -7.459 1.005 1.00 0.00 N ATOM 207 CZ ARG A 11 1.876 -7.379 -0.076 1.00 0.00 C ATOM 208 NH1 ARG A 11 1.138 -6.281 -0.288 1.00 0.00 N ATOM 209 NH2 ARG A 11 1.828 -8.396 -0.946 1.00 0.00 N ATOM 0 H ARG A 11 7.980 -5.719 1.704 1.00 0.00 H new ATOM 0 HA ARG A 11 5.780 -4.129 0.528 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.433 -6.674 1.290 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.342 -5.951 2.883 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.563 -4.379 2.049 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.636 -5.150 0.477 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.125 -6.815 2.968 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.810 -5.941 2.208 1.00 0.00 H new ATOM 0 HE ARG A 11 3.212 -8.309 1.135 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.175 -5.506 0.374 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.539 -6.220 -1.111 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.391 -9.231 -0.785 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.229 -8.335 -1.769 1.00 0.00 H new ATOM 223 N ILE A 12 5.718 -2.559 2.464 1.00 0.00 N ATOM 224 CA ILE A 12 5.825 -1.541 3.494 1.00 0.00 C ATOM 225 C ILE A 12 4.854 -0.400 3.180 1.00 0.00 C ATOM 226 O ILE A 12 5.074 0.473 2.340 1.00 0.00 O ATOM 227 CB ILE A 12 7.278 -1.086 3.648 1.00 0.00 C ATOM 228 CG1 ILE A 12 7.612 -0.804 5.115 1.00 0.00 C ATOM 229 CG2 ILE A 12 7.574 0.118 2.752 1.00 0.00 C ATOM 230 CD1 ILE A 12 8.735 -1.720 5.607 1.00 0.00 C ATOM 0 H ILE A 12 5.076 -2.332 1.705 1.00 0.00 H new ATOM 0 HA ILE A 12 5.537 -1.948 4.463 1.00 0.00 H new ATOM 0 HB ILE A 12 7.926 -1.899 3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 12 7.911 0.238 5.230 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.723 -0.950 5.729 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.613 0.421 2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.402 -0.153 1.710 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.919 0.945 3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.953 -1.499 6.652 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.423 -2.760 5.513 1.00 0.00 H new ATOM 0 HD13 ILE A 12 9.629 -1.554 5.007 1.00 0.00 H new ATOM 242 N PRO A 13 3.703 -0.410 3.904 1.00 0.00 N ATOM 243 CA PRO A 13 2.720 0.713 3.854 1.00 0.00 C ATOM 244 C PRO A 13 2.070 0.973 2.447 1.00 0.00 C ATOM 245 O PRO A 13 1.304 0.164 1.921 1.00 0.00 O ATOM 246 CB PRO A 13 1.740 0.270 4.964 1.00 0.00 C ATOM 247 CG PRO A 13 1.745 -1.260 4.912 1.00 0.00 C ATOM 248 CD PRO A 13 3.197 -1.616 4.594 1.00 0.00 C ATOM 0 HA PRO A 13 3.159 1.697 4.016 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.061 0.632 5.941 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.740 0.667 4.789 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.427 -1.692 5.861 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.065 -1.635 4.147 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.766 -1.829 5.499 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.264 -2.500 3.960 1.00 0.00 H new ATOM 256 N PRO A 14 2.372 2.145 1.855 1.00 0.00 N ATOM 257 CA PRO A 14 1.686 2.602 0.617 1.00 0.00 C ATOM 258 C PRO A 14 1.858 1.731 -0.673 1.00 0.00 C ATOM 259 O PRO A 14 1.080 1.829 -1.615 1.00 0.00 O ATOM 260 CB PRO A 14 2.225 4.046 0.503 1.00 0.00 C ATOM 261 CG PRO A 14 3.587 4.042 1.213 1.00 0.00 C ATOM 262 CD PRO A 14 3.414 3.052 2.366 1.00 0.00 C ATOM 0 HA PRO A 14 0.602 2.519 0.694 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.329 4.343 -0.541 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.543 4.756 0.970 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.385 3.731 0.539 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.847 5.035 1.578 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.340 2.522 2.588 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.104 3.550 3.285 1.00 0.00 H new