USER MOD reduce.3.24.130724 H: found=0, std=0, add=144, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 144 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: 1 1 ARG H1 : 1 1 ARG N : 1 14 PRO C :(NH2R) USER MOD NoAdj-H: 1 1 ARG H2 : 1 1 ARG N : 1 14 PRO C :(NH2R) USER MOD Single : 1 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 4 THR OG1 : rot 84:sc= 0.758 USER MOD Single : 1 7 LYS NZ :NH3+ 153:sc= -0.326 (180deg=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG 1 1 6.077 -3.985 4.652 1.00 0.00 N ATOM 2 CA ARG 1 1 6.552 -3.413 3.357 1.00 0.00 C ATOM 3 C ARG 1 1 6.311 -1.903 3.346 1.00 0.00 C ATOM 4 O ARG 1 1 5.580 -1.374 4.161 1.00 0.00 O ATOM 5 CB ARG 1 1 5.778 -4.046 2.198 1.00 0.00 C ATOM 6 CG ARG 1 1 4.278 -3.989 2.485 1.00 0.00 C ATOM 7 CD ARG 1 1 3.500 -4.117 1.175 1.00 0.00 C ATOM 8 NE ARG 1 1 4.193 -3.339 0.108 1.00 0.00 N ATOM 9 CZ ARG 1 1 4.312 -2.045 0.219 1.00 0.00 C ATOM 10 NH1 ARG 1 1 3.789 -1.428 1.243 1.00 0.00 N ATOM 11 NH2 ARG 1 1 4.959 -1.368 -0.690 1.00 0.00 N ATOM 0 H3 ARG 1 1 6.241 -5.012 4.659 1.00 0.00 H new ATOM 0 HA ARG 1 1 7.616 -3.620 3.245 1.00 0.00 H new ATOM 0 HB2 ARG 1 1 6.000 -3.520 1.270 1.00 0.00 H new ATOM 0 HB3 ARG 1 1 6.092 -5.081 2.061 1.00 0.00 H new ATOM 0 HG2 ARG 1 1 3.997 -4.792 3.166 1.00 0.00 H new ATOM 0 HG3 ARG 1 1 4.027 -3.050 2.978 1.00 0.00 H new ATOM 0 HD2 ARG 1 1 3.425 -5.165 0.885 1.00 0.00 H new ATOM 0 HD3 ARG 1 1 2.483 -3.749 1.306 1.00 0.00 H new ATOM 0 HE ARG 1 1 4.574 -3.818 -0.708 1.00 0.00 H new ATOM 0 HH11 ARG 1 1 3.288 -1.958 1.956 1.00 0.00 H new ATOM 0 HH12 ARG 1 1 3.882 -0.416 1.330 1.00 0.00 H new ATOM 0 HH21 ARG 1 1 5.372 -1.851 -1.488 1.00 0.00 H new ATOM 0 HH22 ARG 1 1 5.052 -0.356 -0.603 1.00 0.00 H new ATOM 25 N VAL 1 2 6.907 -1.207 2.419 1.00 0.00 N ATOM 26 CA VAL 1 2 6.706 0.265 2.346 1.00 0.00 C ATOM 27 C VAL 1 2 6.258 0.632 0.930 1.00 0.00 C ATOM 28 O VAL 1 2 6.997 0.481 -0.022 1.00 0.00 O ATOM 29 CB VAL 1 2 8.019 0.980 2.666 1.00 0.00 C ATOM 30 CG1 VAL 1 2 9.187 0.200 2.061 1.00 0.00 C ATOM 31 CG2 VAL 1 2 7.991 2.393 2.077 1.00 0.00 C ATOM 0 H VAL 1 2 7.526 -1.596 1.708 1.00 0.00 H new ATOM 0 HA VAL 1 2 5.948 0.570 3.067 1.00 0.00 H new ATOM 0 HB VAL 1 2 8.143 1.040 3.747 1.00 0.00 H new ATOM 0 HG11 VAL 1 2 10.123 0.710 2.290 1.00 0.00 H new ATOM 0 HG12 VAL 1 2 9.210 -0.805 2.482 1.00 0.00 H new ATOM 0 HG13 VAL 1 2 9.062 0.138 0.980 1.00 0.00 H new ATOM 0 HG21 VAL 1 2 8.928 2.901 2.306 1.00 0.00 H new ATOM 0 HG22 VAL 1 2 7.865 2.334 0.996 1.00 0.00 H new ATOM 0 HG23 VAL 1 2 7.160 2.951 2.509 1.00 0.00 H new ATOM 41 N ARG 1 3 5.054 1.110 0.779 1.00 0.00 N ATOM 42 CA ARG 1 3 4.572 1.482 -0.580 1.00 0.00 C ATOM 43 C ARG 1 3 4.644 3.001 -0.744 1.00 0.00 C ATOM 44 O ARG 1 3 3.749 3.619 -1.285 1.00 0.00 O ATOM 45 CB ARG 1 3 3.123 1.018 -0.757 1.00 0.00 C ATOM 46 CG ARG 1 3 2.971 0.297 -2.099 1.00 0.00 C ATOM 47 CD ARG 1 3 1.938 -0.823 -1.963 1.00 0.00 C ATOM 48 NE ARG 1 3 0.701 -0.279 -1.334 1.00 0.00 N ATOM 49 CZ ARG 1 3 0.038 -0.999 -0.472 1.00 0.00 C ATOM 50 NH1 ARG 1 3 0.422 -2.219 -0.209 1.00 0.00 N ATOM 51 NH2 ARG 1 3 -1.012 -0.502 0.123 1.00 0.00 N ATOM 0 H ARG 1 3 4.385 1.259 1.535 1.00 0.00 H new ATOM 0 HA ARG 1 3 5.199 1.002 -1.332 1.00 0.00 H new ATOM 0 HB2 ARG 1 3 2.843 0.351 0.058 1.00 0.00 H new ATOM 0 HB3 ARG 1 3 2.449 1.874 -0.715 1.00 0.00 H new ATOM 0 HG2 ARG 1 3 2.659 1.002 -2.869 1.00 0.00 H new ATOM 0 HG3 ARG 1 3 3.930 -0.115 -2.413 1.00 0.00 H new ATOM 0 HD2 ARG 1 3 1.708 -1.242 -2.943 1.00 0.00 H new ATOM 0 HD3 ARG 1 3 2.342 -1.634 -1.357 1.00 0.00 H new ATOM 0 HE ARG 1 3 0.373 0.656 -1.578 1.00 0.00 H new ATOM 0 HH11 ARG 1 3 1.240 -2.608 -0.678 1.00 0.00 H new ATOM 0 HH12 ARG 1 3 -0.096 -2.783 0.465 1.00 0.00 H new ATOM 0 HH21 ARG 1 3 -1.314 0.450 -0.086 1.00 0.00 H new ATOM 0 HH22 ARG 1 3 -1.530 -1.065 0.797 1.00 0.00 H new ATOM 65 N THR 1 4 5.704 3.607 -0.280 1.00 0.00 N ATOM 66 CA THR 1 4 5.828 5.086 -0.413 1.00 0.00 C ATOM 67 C THR 1 4 5.384 5.511 -1.812 1.00 0.00 C ATOM 68 O THR 1 4 5.863 5.002 -2.806 1.00 0.00 O ATOM 69 CB THR 1 4 7.285 5.501 -0.195 1.00 0.00 C ATOM 70 OG1 THR 1 4 7.408 6.905 -0.367 1.00 0.00 O ATOM 71 CG2 THR 1 4 8.178 4.779 -1.206 1.00 0.00 C ATOM 0 H THR 1 4 6.486 3.144 0.183 1.00 0.00 H new ATOM 0 HA THR 1 4 5.197 5.570 0.333 1.00 0.00 H new ATOM 0 HB THR 1 4 7.593 5.232 0.815 1.00 0.00 H new ATOM 0 HG1 THR 1 4 7.168 7.359 0.468 1.00 0.00 H new ATOM 0 HG21 THR 1 4 9.216 5.074 -1.051 1.00 0.00 H new ATOM 0 HG22 THR 1 4 8.083 3.702 -1.071 1.00 0.00 H new ATOM 0 HG23 THR 1 4 7.872 5.046 -2.218 1.00 0.00 H new ATOM 79 N ARG 1 5 4.468 6.437 -1.902 1.00 0.00 N ATOM 80 CA ARG 1 5 3.995 6.883 -3.243 1.00 0.00 C ATOM 81 C ARG 1 5 5.110 7.657 -3.948 1.00 0.00 C ATOM 82 O ARG 1 5 5.621 7.237 -4.968 1.00 0.00 O ATOM 83 CB ARG 1 5 2.771 7.786 -3.086 1.00 0.00 C ATOM 84 CG ARG 1 5 2.467 8.457 -4.426 1.00 0.00 C ATOM 85 CD ARG 1 5 0.970 8.752 -4.520 1.00 0.00 C ATOM 86 NE ARG 1 5 0.260 7.556 -5.054 1.00 0.00 N ATOM 87 CZ ARG 1 5 -0.900 7.691 -5.638 1.00 0.00 C ATOM 88 NH1 ARG 1 5 -1.440 8.873 -5.749 1.00 0.00 N ATOM 89 NH2 ARG 1 5 -1.519 6.643 -6.107 1.00 0.00 N ATOM 0 H ARG 1 5 4.028 6.902 -1.108 1.00 0.00 H new ATOM 0 HA ARG 1 5 3.726 6.009 -3.836 1.00 0.00 H new ATOM 0 HB2 ARG 1 5 1.913 7.201 -2.755 1.00 0.00 H new ATOM 0 HB3 ARG 1 5 2.956 8.540 -2.321 1.00 0.00 H new ATOM 0 HG2 ARG 1 5 3.037 9.381 -4.520 1.00 0.00 H new ATOM 0 HG3 ARG 1 5 2.773 7.809 -5.247 1.00 0.00 H new ATOM 0 HD2 ARG 1 5 0.577 9.012 -3.537 1.00 0.00 H new ATOM 0 HD3 ARG 1 5 0.798 9.610 -5.169 1.00 0.00 H new ATOM 0 HE ARG 1 5 0.680 6.631 -4.963 1.00 0.00 H new ATOM 0 HH11 ARG 1 5 -0.956 9.691 -5.380 1.00 0.00 H new ATOM 0 HH12 ARG 1 5 -2.346 8.979 -6.205 1.00 0.00 H new ATOM 0 HH21 ARG 1 5 -1.097 5.719 -6.017 1.00 0.00 H new ATOM 0 HH22 ARG 1 5 -2.425 6.748 -6.563 1.00 0.00 H new ATOM 103 N GLY 1 6 5.488 8.785 -3.413 1.00 0.00 N ATOM 104 CA GLY 1 6 6.573 9.587 -4.049 1.00 0.00 C ATOM 105 C GLY 1 6 7.377 10.304 -2.965 1.00 0.00 C ATOM 106 O GLY 1 6 8.477 9.907 -2.632 1.00 0.00 O ATOM 0 H GLY 1 6 5.093 9.187 -2.563 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 7.226 8.938 -4.632 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 6.146 10.313 -4.741 1.00 0.00 H new ATOM 110 N LYS 1 7 6.845 11.359 -2.413 1.00 0.00 N ATOM 111 CA LYS 1 7 7.589 12.092 -1.351 1.00 0.00 C ATOM 112 C LYS 1 7 7.050 11.679 0.019 1.00 0.00 C ATOM 113 O LYS 1 7 7.636 11.970 1.043 1.00 0.00 O ATOM 114 CB LYS 1 7 7.405 13.601 -1.539 1.00 0.00 C ATOM 115 CG LYS 1 7 8.327 14.101 -2.655 1.00 0.00 C ATOM 116 CD LYS 1 7 8.261 15.629 -2.727 1.00 0.00 C ATOM 117 CE LYS 1 7 8.766 16.102 -4.092 1.00 0.00 C ATOM 118 NZ LYS 1 7 7.948 15.476 -5.169 1.00 0.00 N ATOM 0 H LYS 1 7 5.931 11.744 -2.650 1.00 0.00 H new ATOM 0 HA LYS 1 7 8.649 11.849 -1.417 1.00 0.00 H new ATOM 0 HB2 LYS 1 7 6.367 13.822 -1.786 1.00 0.00 H new ATOM 0 HB3 LYS 1 7 7.629 14.123 -0.609 1.00 0.00 H new ATOM 0 HG2 LYS 1 7 9.351 13.779 -2.466 1.00 0.00 H new ATOM 0 HG3 LYS 1 7 8.028 13.668 -3.610 1.00 0.00 H new ATOM 0 HD2 LYS 1 7 7.236 15.966 -2.570 1.00 0.00 H new ATOM 0 HD3 LYS 1 7 8.866 16.067 -1.933 1.00 0.00 H new ATOM 0 HE2 LYS 1 7 8.704 17.188 -4.158 1.00 0.00 H new ATOM 0 HE3 LYS 1 7 9.815 15.835 -4.216 1.00 0.00 H new ATOM 0 HZ1 LYS 1 7 7.951 16.090 -6.008 1.00 0.00 H new ATOM 0 HZ2 LYS 1 7 8.351 14.550 -5.417 1.00 0.00 H new ATOM 0 HZ3 LYS 1 7 6.971 15.351 -4.835 1.00 0.00 H new ATOM 132 N ARG 1 8 5.929 10.992 0.065 1.00 0.00 N ATOM 133 CA ARG 1 8 5.376 10.579 1.385 1.00 0.00 C ATOM 134 C ARG 1 8 5.706 9.108 1.653 1.00 0.00 C ATOM 135 O ARG 1 8 6.628 8.553 1.083 1.00 0.00 O ATOM 136 CB ARG 1 8 3.859 10.773 1.378 1.00 0.00 C ATOM 137 CG ARG 1 8 3.528 12.116 0.726 1.00 0.00 C ATOM 138 CD ARG 1 8 3.407 13.191 1.807 1.00 0.00 C ATOM 139 NE ARG 1 8 2.000 13.260 2.282 1.00 0.00 N ATOM 140 CZ ARG 1 8 1.670 12.695 3.411 1.00 0.00 C ATOM 141 NH1 ARG 1 8 2.547 11.983 4.064 1.00 0.00 N ATOM 142 NH2 ARG 1 8 0.462 12.834 3.882 1.00 0.00 N ATOM 0 H ARG 1 8 5.383 10.705 -0.748 1.00 0.00 H new ATOM 0 HA ARG 1 8 5.821 11.190 2.171 1.00 0.00 H new ATOM 0 HB2 ARG 1 8 3.379 9.961 0.831 1.00 0.00 H new ATOM 0 HB3 ARG 1 8 3.472 10.744 2.396 1.00 0.00 H new ATOM 0 HG2 ARG 1 8 4.306 12.388 0.013 1.00 0.00 H new ATOM 0 HG3 ARG 1 8 2.595 12.041 0.167 1.00 0.00 H new ATOM 0 HD2 ARG 1 8 4.072 12.961 2.639 1.00 0.00 H new ATOM 0 HD3 ARG 1 8 3.716 14.158 1.410 1.00 0.00 H new ATOM 0 HE ARG 1 8 1.296 13.747 1.728 1.00 0.00 H new ATOM 0 HH11 ARG 1 8 3.490 11.868 3.692 1.00 0.00 H new ATOM 0 HH12 ARG 1 8 2.290 11.541 4.947 1.00 0.00 H new ATOM 0 HH21 ARG 1 8 -0.226 13.385 3.368 1.00 0.00 H new ATOM 0 HH22 ARG 1 8 0.205 12.392 4.765 1.00 0.00 H new ATOM 156 N ARG 1 9 4.961 8.470 2.515 1.00 0.00 N ATOM 157 CA ARG 1 9 5.230 7.035 2.812 1.00 0.00 C ATOM 158 C ARG 1 9 3.916 6.312 3.104 1.00 0.00 C ATOM 159 O ARG 1 9 2.987 6.883 3.641 1.00 0.00 O ATOM 160 CB ARG 1 9 6.142 6.927 4.033 1.00 0.00 C ATOM 161 CG ARG 1 9 6.314 5.451 4.406 1.00 0.00 C ATOM 162 CD ARG 1 9 7.252 5.326 5.608 1.00 0.00 C ATOM 163 NE ARG 1 9 7.911 3.989 5.584 1.00 0.00 N ATOM 164 CZ ARG 1 9 9.066 3.819 6.167 1.00 0.00 C ATOM 165 NH1 ARG 1 9 9.645 4.818 6.775 1.00 0.00 N ATOM 166 NH2 ARG 1 9 9.643 2.649 6.142 1.00 0.00 N ATOM 0 H ARG 1 9 4.179 8.880 3.025 1.00 0.00 H new ATOM 0 HA ARG 1 9 5.714 6.578 1.949 1.00 0.00 H new ATOM 0 HB2 ARG 1 9 7.112 7.375 3.818 1.00 0.00 H new ATOM 0 HB3 ARG 1 9 5.715 7.478 4.871 1.00 0.00 H new ATOM 0 HG2 ARG 1 9 5.345 5.011 4.642 1.00 0.00 H new ATOM 0 HG3 ARG 1 9 6.718 4.897 3.559 1.00 0.00 H new ATOM 0 HD2 ARG 1 9 8.004 6.115 5.580 1.00 0.00 H new ATOM 0 HD3 ARG 1 9 6.692 5.451 6.535 1.00 0.00 H new ATOM 0 HE ARG 1 9 7.459 3.206 5.111 1.00 0.00 H new ATOM 0 HH11 ARG 1 9 9.195 5.733 6.795 1.00 0.00 H new ATOM 0 HH12 ARG 1 9 10.548 4.684 7.230 1.00 0.00 H new ATOM 0 HH21 ARG 1 9 9.191 1.868 5.667 1.00 0.00 H new ATOM 0 HH22 ARG 1 9 10.546 2.516 6.598 1.00 0.00 H new ATOM 180 N ILE 1 10 3.829 5.056 2.761 1.00 0.00 N ATOM 181 CA ILE 1 10 2.569 4.304 3.019 1.00 0.00 C ATOM 182 C ILE 1 10 2.911 2.894 3.515 1.00 0.00 C ATOM 183 O ILE 1 10 2.770 1.924 2.797 1.00 0.00 O ATOM 184 CB ILE 1 10 1.748 4.225 1.730 1.00 0.00 C ATOM 185 CG1 ILE 1 10 1.952 5.511 0.926 1.00 0.00 C ATOM 186 CG2 ILE 1 10 0.267 4.082 2.078 1.00 0.00 C ATOM 187 CD1 ILE 1 10 1.300 6.685 1.663 1.00 0.00 C ATOM 0 H ILE 1 10 4.573 4.520 2.315 1.00 0.00 H new ATOM 0 HA ILE 1 10 1.983 4.818 3.781 1.00 0.00 H new ATOM 0 HB ILE 1 10 2.071 3.365 1.143 1.00 0.00 H new ATOM 0 HG12 ILE 1 10 3.016 5.701 0.788 1.00 0.00 H new ATOM 0 HG13 ILE 1 10 1.516 5.404 -0.067 1.00 0.00 H new ATOM 0 HG21 ILE 1 10 -0.319 4.026 1.160 1.00 0.00 H new ATOM 0 HG22 ILE 1 10 0.116 3.173 2.661 1.00 0.00 H new ATOM 0 HG23 ILE 1 10 -0.055 4.945 2.661 1.00 0.00 H new ATOM 0 HD11 ILE 1 10 1.446 7.601 1.090 1.00 0.00 H new ATOM 0 HD12 ILE 1 10 0.233 6.495 1.778 1.00 0.00 H new ATOM 0 HD13 ILE 1 10 1.757 6.796 2.646 1.00 0.00 H new ATOM 199 N ARG 1 11 3.373 2.775 4.730 1.00 0.00 N ATOM 200 CA ARG 1 11 3.729 1.429 5.261 1.00 0.00 C ATOM 201 C ARG 1 11 2.494 0.514 5.248 1.00 0.00 C ATOM 202 O ARG 1 11 1.416 0.903 5.652 1.00 0.00 O ATOM 203 CB ARG 1 11 4.233 1.574 6.699 1.00 0.00 C ATOM 204 CG ARG 1 11 5.755 1.761 6.705 1.00 0.00 C ATOM 205 CD ARG 1 11 6.442 0.418 6.436 1.00 0.00 C ATOM 206 NE ARG 1 11 7.623 0.272 7.333 1.00 0.00 N ATOM 207 CZ ARG 1 11 8.431 -0.744 7.192 1.00 0.00 C ATOM 208 NH1 ARG 1 11 8.197 -1.643 6.275 1.00 0.00 N ATOM 209 NH2 ARG 1 11 9.470 -0.866 7.972 1.00 0.00 N ATOM 0 H ARG 1 11 3.519 3.550 5.377 1.00 0.00 H new ATOM 0 HA ARG 1 11 4.506 0.990 4.635 1.00 0.00 H new ATOM 0 HB2 ARG 1 11 3.752 2.427 7.177 1.00 0.00 H new ATOM 0 HB3 ARG 1 11 3.965 0.690 7.278 1.00 0.00 H new ATOM 0 HG2 ARG 1 11 6.045 2.487 5.945 1.00 0.00 H new ATOM 0 HG3 ARG 1 11 6.078 2.159 7.667 1.00 0.00 H new ATOM 0 HD2 ARG 1 11 5.742 -0.400 6.604 1.00 0.00 H new ATOM 0 HD3 ARG 1 11 6.755 0.361 5.394 1.00 0.00 H new ATOM 0 HE ARG 1 11 7.800 0.967 8.058 1.00 0.00 H new ATOM 0 HH11 ARG 1 11 7.382 -1.552 5.668 1.00 0.00 H new ATOM 0 HH12 ARG 1 11 8.829 -2.436 6.166 1.00 0.00 H new ATOM 0 HH21 ARG 1 11 9.652 -0.167 8.693 1.00 0.00 H new ATOM 0 HH22 ARG 1 11 10.101 -1.660 7.861 1.00 0.00 H new ATOM 223 N VAL 1 12 2.652 -0.702 4.796 1.00 0.00 N ATOM 224 CA VAL 1 12 1.502 -1.654 4.755 1.00 0.00 C ATOM 225 C VAL 1 12 2.011 -3.028 5.203 1.00 0.00 C ATOM 226 O VAL 1 12 2.436 -3.835 4.399 1.00 0.00 O ATOM 227 CB VAL 1 12 0.950 -1.724 3.322 1.00 0.00 C ATOM 228 CG1 VAL 1 12 -0.233 -2.694 3.259 1.00 0.00 C ATOM 229 CG2 VAL 1 12 0.473 -0.333 2.894 1.00 0.00 C ATOM 0 H VAL 1 12 3.534 -1.080 4.451 1.00 0.00 H new ATOM 0 HA VAL 1 12 0.700 -1.325 5.416 1.00 0.00 H new ATOM 0 HB VAL 1 12 1.739 -2.073 2.656 1.00 0.00 H new ATOM 0 HG11 VAL 1 12 -0.616 -2.735 2.239 1.00 0.00 H new ATOM 0 HG12 VAL 1 12 0.095 -3.688 3.564 1.00 0.00 H new ATOM 0 HG13 VAL 1 12 -1.021 -2.350 3.929 1.00 0.00 H new ATOM 0 HG21 VAL 1 12 0.081 -0.379 1.878 1.00 0.00 H new ATOM 0 HG22 VAL 1 12 -0.311 0.007 3.570 1.00 0.00 H new ATOM 0 HG23 VAL 1 12 1.309 0.365 2.929 1.00 0.00 H new ATOM 239 N PRO 1 13 2.001 -3.270 6.491 1.00 0.00 N ATOM 240 CA PRO 1 13 2.551 -4.522 7.073 1.00 0.00 C ATOM 241 C PRO 1 13 4.064 -4.429 7.192 1.00 0.00 C ATOM 242 O PRO 1 13 4.600 -3.506 7.784 1.00 0.00 O ATOM 243 CB PRO 1 13 1.908 -4.636 8.458 1.00 0.00 C ATOM 244 CG PRO 1 13 1.546 -3.242 8.862 1.00 0.00 C ATOM 245 CD PRO 1 13 1.439 -2.412 7.581 1.00 0.00 C ATOM 0 HA PRO 1 13 2.336 -5.392 6.453 1.00 0.00 H new ATOM 0 HB2 PRO 1 13 1.025 -5.275 8.427 1.00 0.00 H new ATOM 0 HB3 PRO 1 13 2.599 -5.082 9.173 1.00 0.00 H new ATOM 0 HG2 PRO 1 13 0.602 -3.232 9.406 1.00 0.00 H new ATOM 0 HG3 PRO 1 13 2.302 -2.826 9.528 1.00 0.00 H new ATOM 0 HD2 PRO 1 13 0.403 -2.145 7.373 1.00 0.00 H new ATOM 0 HD3 PRO 1 13 1.996 -1.480 7.671 1.00 0.00 H new ATOM 253 N PRO 1 14 4.742 -5.367 6.607 1.00 0.00 N ATOM 254 CA PRO 1 14 6.219 -5.416 6.602 1.00 0.00 C ATOM 255 C PRO 1 14 6.780 -4.898 5.272 1.00 0.00 C ATOM 256 O PRO 1 14 7.825 -5.318 4.815 1.00 0.00 O ATOM 257 CB PRO 1 14 6.503 -6.907 6.783 1.00 0.00 C ATOM 258 CG PRO 1 14 5.327 -7.615 6.178 1.00 0.00 C ATOM 259 CD PRO 1 14 4.261 -6.557 5.877 1.00 0.00 C ATOM 0 HA PRO 1 14 6.680 -4.794 7.369 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 7.431 -7.193 6.287 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 6.614 -7.160 7.837 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 5.620 -8.135 5.266 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 4.938 -8.368 6.864 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 4.177 -6.365 4.807 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 3.276 -6.870 6.223 1.00 0.00 H new