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= -0.181 (180deg=-0.181) USER MOD Single : A 4 THR OG1 : rot -51:sc= -0.137! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA ARG A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C ARG A 1 3.225 -1.005 -1.173 1.00 0.00 C ATOM 4 O ARG A 1 3.586 -1.463 -0.090 1.00 0.00 O ATOM 5 CB ARG A 1 2.636 1.390 -1.550 1.00 0.00 C ATOM 6 CG ARG A 1 1.588 2.268 -2.237 1.00 0.00 C ATOM 7 CD ARG A 1 2.212 3.075 -3.377 1.00 0.00 C ATOM 8 NE ARG A 1 2.054 4.523 -3.116 1.00 0.00 N ATOM 9 CZ ARG A 1 2.674 5.484 -3.815 1.00 0.00 C ATOM 10 NH1 ARG A 1 3.497 5.156 -4.821 1.00 0.00 N ATOM 11 NH2 ARG A 1 2.472 6.773 -3.508 1.00 0.00 N ATOM 0 H3 ARG A 1 0.546 0.687 -0.063 1.00 0.00 H new ATOM 0 HA ARG A 1 1.387 -0.285 -2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 1 2.963 1.865 -0.625 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.514 1.298 -2.189 1.00 0.00 H new ATOM 0 HG2 ARG A 1 0.784 1.644 -2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 1 1.142 2.945 -1.509 1.00 0.00 H new ATOM 0 HD2 ARG A 1 3.269 2.827 -3.473 1.00 0.00 H new ATOM 0 HD3 ARG A 1 1.736 2.813 -4.322 1.00 0.00 H new ATOM 0 HE ARG A 1 1.435 4.807 -2.357 1.00 0.00 H new ATOM 0 HH11 ARG A 1 3.651 4.175 -5.054 1.00 0.00 H new ATOM 0 HH12 ARG A 1 3.969 5.887 -5.353 1.00 0.00 H new ATOM 0 HH21 ARG A 1 1.846 7.023 -2.742 1.00 0.00 H new ATOM 0 HH22 ARG A 1 2.944 7.504 -4.040 1.00 0.00 H new ATOM 25 N VAL A 2 3.770 -1.317 -2.339 1.00 0.00 N ATOM 26 CA VAL A 2 4.873 -2.259 -2.421 1.00 0.00 C ATOM 27 C VAL A 2 6.028 -1.619 -3.195 1.00 0.00 C ATOM 28 O VAL A 2 6.002 -1.564 -4.423 1.00 0.00 O ATOM 29 CB VAL A 2 4.394 -3.573 -3.042 1.00 0.00 C ATOM 30 CG1 VAL A 2 5.579 -4.438 -3.477 1.00 0.00 C ATOM 31 CG2 VAL A 2 3.485 -4.336 -2.076 1.00 0.00 C ATOM 0 H VAL A 2 3.468 -0.934 -3.235 1.00 0.00 H new ATOM 0 HA VAL A 2 5.243 -2.501 -1.425 1.00 0.00 H new ATOM 0 HB VAL A 2 3.811 -3.331 -3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.211 -5.366 -3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.172 -3.898 -4.216 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.200 -4.667 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.158 -5.266 -2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.033 -4.561 -1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.615 -3.725 -1.836 1.00 0.00 H new ATOM 41 N ARG A 3 7.014 -1.151 -2.443 1.00 0.00 N ATOM 42 CA ARG A 3 8.176 -0.517 -3.042 1.00 0.00 C ATOM 43 C ARG A 3 9.086 -1.570 -3.678 1.00 0.00 C ATOM 44 O ARG A 3 8.712 -2.737 -3.784 1.00 0.00 O ATOM 45 CB ARG A 3 8.971 0.272 -2.001 1.00 0.00 C ATOM 46 CG ARG A 3 9.516 -0.652 -0.910 1.00 0.00 C ATOM 47 CD ARG A 3 10.966 -0.304 -0.571 1.00 0.00 C ATOM 48 NE ARG A 3 11.276 -0.722 0.815 1.00 0.00 N ATOM 49 CZ ARG A 3 12.356 -0.319 1.498 1.00 0.00 C ATOM 50 NH1 ARG A 3 13.237 0.514 0.927 1.00 0.00 N ATOM 51 NH2 ARG A 3 12.556 -0.749 2.751 1.00 0.00 N ATOM 0 H ARG A 3 7.032 -1.198 -1.424 1.00 0.00 H new ATOM 0 HA ARG A 3 7.820 0.171 -3.808 1.00 0.00 H new ATOM 0 HB2 ARG A 3 9.796 0.793 -2.487 1.00 0.00 H new ATOM 0 HB3 ARG A 3 8.333 1.034 -1.552 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.899 -0.567 -0.015 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.455 -1.688 -1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 3 11.640 -0.800 -1.269 1.00 0.00 H new ATOM 0 HD3 ARG A 3 11.127 0.769 -0.681 1.00 0.00 H new ATOM 0 HE ARG A 3 10.626 -1.357 1.279 1.00 0.00 H new ATOM 0 HH11 ARG A 3 13.085 0.841 -0.027 1.00 0.00 H new ATOM 0 HH12 ARG A 3 14.059 0.821 1.447 1.00 0.00 H new ATOM 0 HH21 ARG A 3 11.886 -1.384 3.185 1.00 0.00 H new ATOM 0 HH22 ARG A 3 13.378 -0.442 3.270 1.00 0.00 H new ATOM 65 N THR A 4 10.263 -1.120 -4.086 1.00 0.00 N ATOM 66 CA THR A 4 11.230 -2.008 -4.709 1.00 0.00 C ATOM 67 C THR A 4 12.648 -1.465 -4.526 1.00 0.00 C ATOM 68 O THR A 4 12.857 -0.253 -4.522 1.00 0.00 O ATOM 69 CB THR A 4 10.831 -2.187 -6.175 1.00 0.00 C ATOM 70 OG1 THR A 4 9.418 -2.366 -6.132 1.00 0.00 O ATOM 71 CG2 THR A 4 11.354 -3.497 -6.768 1.00 0.00 C ATOM 0 H THR A 4 10.569 -0.151 -3.997 1.00 0.00 H new ATOM 0 HA THR A 4 11.229 -2.990 -4.235 1.00 0.00 H new ATOM 0 HB THR A 4 11.209 -1.347 -6.758 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.196 -3.063 -5.480 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.043 -3.575 -7.810 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.442 -3.513 -6.712 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.950 -4.338 -6.205 1.00 0.00 H new ATOM 79 N ARG A 5 13.587 -2.389 -4.380 1.00 0.00 N ATOM 80 CA ARG A 5 14.980 -2.018 -4.197 1.00 0.00 C ATOM 81 C ARG A 5 15.890 -3.212 -4.492 1.00 0.00 C ATOM 82 O ARG A 5 15.476 -4.362 -4.354 1.00 0.00 O ATOM 83 CB ARG A 5 15.238 -1.528 -2.771 1.00 0.00 C ATOM 84 CG ARG A 5 16.704 -1.136 -2.582 1.00 0.00 C ATOM 85 CD ARG A 5 16.855 -0.094 -1.471 1.00 0.00 C ATOM 86 NE ARG A 5 17.971 -0.469 -0.574 1.00 0.00 N ATOM 87 CZ ARG A 5 19.254 -0.527 -0.956 1.00 0.00 C ATOM 88 NH1 ARG A 5 19.591 -0.237 -2.220 1.00 0.00 N ATOM 89 NH2 ARG A 5 20.200 -0.877 -0.074 1.00 0.00 N ATOM 0 H ARG A 5 13.410 -3.394 -4.385 1.00 0.00 H new ATOM 0 HA ARG A 5 15.201 -1.208 -4.892 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.598 -0.672 -2.556 1.00 0.00 H new ATOM 0 HB3 ARG A 5 14.973 -2.311 -2.060 1.00 0.00 H new ATOM 0 HG2 ARG A 5 17.292 -2.021 -2.338 1.00 0.00 H new ATOM 0 HG3 ARG A 5 17.101 -0.737 -3.516 1.00 0.00 H new ATOM 0 HD2 ARG A 5 17.041 0.888 -1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.929 -0.021 -0.901 1.00 0.00 H new ATOM 0 HE ARG A 5 17.750 -0.697 0.395 1.00 0.00 H new ATOM 0 HH11 ARG A 5 18.871 0.028 -2.892 1.00 0.00 H new ATOM 0 HH12 ARG A 5 20.568 -0.281 -2.510 1.00 0.00 H new ATOM 0 HH21 ARG A 5 19.943 -1.099 0.888 1.00 0.00 H new ATOM 0 HH22 ARG A 5 21.177 -0.921 -0.364 1.00 0.00 H new ATOM 103 N LYS A 6 17.114 -2.898 -4.892 1.00 0.00 N ATOM 104 CA LYS A 6 18.086 -3.931 -5.207 1.00 0.00 C ATOM 105 C LYS A 6 17.415 -5.017 -6.050 1.00 0.00 C ATOM 106 O LYS A 6 17.623 -6.206 -5.817 1.00 0.00 O ATOM 107 CB LYS A 6 18.738 -4.461 -3.928 1.00 0.00 C ATOM 108 CG LYS A 6 20.258 -4.541 -4.080 1.00 0.00 C ATOM 109 CD LYS A 6 20.695 -5.950 -4.488 1.00 0.00 C ATOM 110 CE LYS A 6 21.450 -6.640 -3.350 1.00 0.00 C ATOM 111 NZ LYS A 6 22.910 -6.459 -3.511 1.00 0.00 N ATOM 0 H LYS A 6 17.454 -1.943 -5.005 1.00 0.00 H new ATOM 0 HA LYS A 6 18.899 -3.519 -5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.486 -3.810 -3.091 1.00 0.00 H new ATOM 0 HB3 LYS A 6 18.340 -5.449 -3.695 1.00 0.00 H new ATOM 0 HG2 LYS A 6 20.590 -3.822 -4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 6 20.736 -4.266 -3.140 1.00 0.00 H new ATOM 0 HD2 LYS A 6 19.821 -6.541 -4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 6 21.331 -5.896 -5.371 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.130 -6.229 -2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.209 -7.703 -3.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 23.407 -6.934 -2.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 23.213 -6.872 -4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.137 -5.444 -3.500 1.00 0.00 H new ATOM 125 N GLY A 7 16.624 -4.568 -7.014 1.00 0.00 N ATOM 126 CA GLY A 7 15.921 -5.487 -7.893 1.00 0.00 C ATOM 127 C GLY A 7 15.127 -6.518 -7.088 1.00 0.00 C ATOM 128 O GLY A 7 15.008 -7.672 -7.496 1.00 0.00 O ATOM 0 H GLY A 7 16.455 -3.581 -7.205 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.246 -4.930 -8.543 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.636 -5.997 -8.539 1.00 0.00 H new ATOM 132 N ARG A 8 14.603 -6.063 -5.959 1.00 0.00 N ATOM 133 CA ARG A 8 13.823 -6.931 -5.093 1.00 0.00 C ATOM 134 C ARG A 8 12.506 -6.254 -4.709 1.00 0.00 C ATOM 135 O ARG A 8 12.370 -5.038 -4.833 1.00 0.00 O ATOM 136 CB ARG A 8 14.599 -7.281 -3.821 1.00 0.00 C ATOM 137 CG ARG A 8 15.867 -8.070 -4.152 1.00 0.00 C ATOM 138 CD ARG A 8 15.881 -9.416 -3.424 1.00 0.00 C ATOM 139 NE ARG A 8 16.849 -9.376 -2.305 1.00 0.00 N ATOM 140 CZ ARG A 8 17.270 -10.458 -1.637 1.00 0.00 C ATOM 141 NH1 ARG A 8 16.811 -11.672 -1.971 1.00 0.00 N ATOM 142 NH2 ARG A 8 18.149 -10.327 -0.634 1.00 0.00 N ATOM 0 H ARG A 8 14.703 -5.105 -5.624 1.00 0.00 H new ATOM 0 HA ARG A 8 13.616 -7.849 -5.643 1.00 0.00 H new ATOM 0 HB2 ARG A 8 14.864 -6.367 -3.289 1.00 0.00 H new ATOM 0 HB3 ARG A 8 13.966 -7.866 -3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 8 15.927 -8.234 -5.228 1.00 0.00 H new ATOM 0 HG3 ARG A 8 16.745 -7.490 -3.868 1.00 0.00 H new ATOM 0 HD2 ARG A 8 14.885 -9.645 -3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.149 -10.212 -4.119 1.00 0.00 H new ATOM 0 HE ARG A 8 17.219 -8.468 -2.025 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.141 -11.772 -2.734 1.00 0.00 H new ATOM 0 HH12 ARG A 8 17.131 -12.496 -1.462 1.00 0.00 H new ATOM 0 HH21 ARG A 8 18.498 -9.403 -0.379 1.00 0.00 H new ATOM 0 HH22 ARG A 8 18.469 -11.151 -0.126 1.00 0.00 H new ATOM 156 N ARG A 9 11.569 -7.072 -4.251 1.00 0.00 N ATOM 157 CA ARG A 9 10.268 -6.567 -3.849 1.00 0.00 C ATOM 158 C ARG A 9 10.147 -6.568 -2.323 1.00 0.00 C ATOM 159 O ARG A 9 10.604 -7.498 -1.661 1.00 0.00 O ATOM 160 CB ARG A 9 9.140 -7.413 -4.443 1.00 0.00 C ATOM 161 CG ARG A 9 7.775 -6.942 -3.938 1.00 0.00 C ATOM 162 CD ARG A 9 7.380 -7.682 -2.658 1.00 0.00 C ATOM 163 NE ARG A 9 5.929 -7.977 -2.672 1.00 0.00 N ATOM 164 CZ ARG A 9 5.309 -8.741 -1.763 1.00 0.00 C ATOM 165 NH1 ARG A 9 6.009 -9.293 -0.762 1.00 0.00 N ATOM 166 NH2 ARG A 9 3.989 -8.954 -1.854 1.00 0.00 N ATOM 0 H ARG A 9 11.685 -8.080 -4.150 1.00 0.00 H new ATOM 0 HA ARG A 9 10.178 -5.548 -4.224 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.170 -7.352 -5.531 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.288 -8.460 -4.178 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.804 -5.869 -3.748 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.021 -7.110 -4.707 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.947 -8.609 -2.574 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.628 -7.076 -1.786 1.00 0.00 H new ATOM 0 HE ARG A 9 5.366 -7.573 -3.421 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.014 -9.131 -0.692 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.537 -9.875 -0.070 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.456 -8.534 -2.616 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.517 -9.536 -1.162 1.00 0.00 H new ATOM 180 N ILE A 10 9.528 -5.514 -1.810 1.00 0.00 N ATOM 181 CA ILE A 10 9.341 -5.382 -0.375 1.00 0.00 C ATOM 182 C ILE A 10 7.960 -4.784 -0.098 1.00 0.00 C ATOM 183 O ILE A 10 7.308 -4.272 -1.007 1.00 0.00 O ATOM 184 CB ILE A 10 10.492 -4.585 0.244 1.00 0.00 C ATOM 185 CG1 ILE A 10 11.821 -4.928 -0.431 1.00 0.00 C ATOM 186 CG2 ILE A 10 10.548 -4.791 1.759 1.00 0.00 C ATOM 187 CD1 ILE A 10 12.288 -6.332 -0.042 1.00 0.00 C ATOM 0 H ILE A 10 9.150 -4.744 -2.362 1.00 0.00 H new ATOM 0 HA ILE A 10 9.367 -6.361 0.104 1.00 0.00 H new ATOM 0 HB ILE A 10 10.307 -3.525 0.070 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.710 -4.865 -1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.577 -4.197 -0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.374 -4.214 2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.612 -4.458 2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.698 -5.848 1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.235 -6.550 -0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.422 -6.385 1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.541 -7.063 -0.351 1.00 0.00 H new ATOM 199 N ARG A 11 7.556 -4.869 1.160 1.00 0.00 N ATOM 200 CA ARG A 11 6.264 -4.343 1.568 1.00 0.00 C ATOM 201 C ARG A 11 6.446 -3.252 2.626 1.00 0.00 C ATOM 202 O ARG A 11 7.282 -3.381 3.518 1.00 0.00 O ATOM 203 CB ARG A 11 5.372 -5.449 2.135 1.00 0.00 C ATOM 204 CG ARG A 11 3.897 -5.170 1.839 1.00 0.00 C ATOM 205 CD ARG A 11 2.990 -6.062 2.688 1.00 0.00 C ATOM 206 NE ARG A 11 1.650 -6.159 2.066 1.00 0.00 N ATOM 207 CZ ARG A 11 0.706 -7.030 2.447 1.00 0.00 C ATOM 208 NH1 ARG A 11 0.949 -7.885 3.451 1.00 0.00 N ATOM 209 NH2 ARG A 11 -0.481 -7.047 1.825 1.00 0.00 N ATOM 0 H ARG A 11 8.100 -5.294 1.911 1.00 0.00 H new ATOM 0 HA ARG A 11 5.784 -3.922 0.685 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.658 -6.408 1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.522 -5.526 3.212 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.674 -4.122 2.040 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.696 -5.342 0.782 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.429 -7.055 2.783 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.904 -5.654 3.695 1.00 0.00 H new ATOM 0 HE ARG A 11 1.432 -5.523 1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.852 -7.872 3.924 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.230 -8.548 3.741 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.666 -6.397 1.061 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.199 -7.710 2.115 1.00 0.00 H new ATOM 223 N ILE A 12 5.648 -2.203 2.491 1.00 0.00 N ATOM 224 CA ILE A 12 5.710 -1.090 3.424 1.00 0.00 C ATOM 225 C ILE A 12 4.421 -0.273 3.322 1.00 0.00 C ATOM 226 O ILE A 12 4.274 0.680 2.556 1.00 0.00 O ATOM 227 CB ILE A 12 6.980 -0.268 3.193 1.00 0.00 C ATOM 228 CG1 ILE A 12 7.395 0.469 4.469 1.00 0.00 C ATOM 229 CG2 ILE A 12 6.808 0.686 2.010 1.00 0.00 C ATOM 230 CD1 ILE A 12 8.918 0.558 4.579 1.00 0.00 C ATOM 0 H ILE A 12 4.955 -2.100 1.750 1.00 0.00 H new ATOM 0 HA ILE A 12 5.776 -1.455 4.449 1.00 0.00 H new ATOM 0 HB ILE A 12 7.789 -0.953 2.939 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.967 1.472 4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.993 -0.049 5.340 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.725 1.258 1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.594 0.112 1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.982 1.368 2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.186 1.086 5.494 1.00 0.00 H new ATOM 0 HD12 ILE A 12 9.340 -0.447 4.602 1.00 0.00 H new ATOM 0 HD13 ILE A 12 9.314 1.098 3.719 1.00 0.00 H new ATOM 242 N PRO A 13 3.420 -0.672 4.152 1.00 0.00 N ATOM 243 CA PRO A 13 2.157 0.108 4.311 1.00 0.00 C ATOM 244 C PRO A 13 1.185 0.072 3.076 1.00 0.00 C ATOM 245 O PRO A 13 0.646 -0.970 2.699 1.00 0.00 O ATOM 246 CB PRO A 13 1.603 -0.525 5.607 1.00 0.00 C ATOM 247 CG PRO A 13 2.056 -1.987 5.559 1.00 0.00 C ATOM 248 CD PRO A 13 3.451 -1.924 4.939 1.00 0.00 C ATOM 0 HA PRO A 13 2.305 1.186 4.371 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.993 -0.020 6.491 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.516 -0.450 5.650 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.082 -2.429 6.555 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.380 -2.595 4.958 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.229 -1.900 5.702 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.650 -2.790 4.308 1.00 0.00 H new ATOM 256 N PRO A 14 0.950 1.249 2.464 1.00 0.00 N ATOM 257 CA PRO A 14 -0.087 1.394 1.408 1.00 0.00 C ATOM 258 C PRO A 14 0.093 0.557 0.095 1.00 0.00 C ATOM 259 O PRO A 14 -0.625 0.744 -0.881 1.00 0.00 O ATOM 260 CB PRO A 14 -0.084 2.926 1.207 1.00 0.00 C ATOM 261 CG PRO A 14 1.318 3.400 1.613 1.00 0.00 C ATOM 262 CD PRO A 14 1.719 2.470 2.760 1.00 0.00 C ATOM 0 HA PRO A 14 -1.045 0.971 1.711 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.299 3.184 0.170 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.850 3.402 1.819 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.018 3.328 0.780 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.308 4.442 1.932 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.792 2.281 2.773 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.458 2.888 3.732 1.00 0.00 H new TER 270 PRO A 14