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= -0.102 (180deg=-0.102) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.781 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.616 0.313 0.137 1.00 0.00 N ATOM 2 CA ARG A 1 2.690 0.725 -0.750 1.00 0.00 C ATOM 3 C ARG A 1 3.703 -0.409 -0.920 1.00 0.00 C ATOM 4 O ARG A 1 4.222 -0.936 0.063 1.00 0.00 O ATOM 5 CB ARG A 1 3.408 1.963 -0.207 1.00 0.00 C ATOM 6 CG ARG A 1 4.642 2.294 -1.049 1.00 0.00 C ATOM 7 CD ARG A 1 5.410 3.476 -0.454 1.00 0.00 C ATOM 8 NE ARG A 1 6.309 3.005 0.624 1.00 0.00 N ATOM 9 CZ ARG A 1 7.279 3.749 1.172 1.00 0.00 C ATOM 10 NH1 ARG A 1 7.481 5.004 0.749 1.00 0.00 N ATOM 11 NH2 ARG A 1 8.047 3.239 2.144 1.00 0.00 N ATOM 0 H3 ARG A 1 0.936 1.092 0.244 1.00 0.00 H new ATOM 0 HA ARG A 1 2.247 0.969 -1.716 1.00 0.00 H new ATOM 0 HB2 ARG A 1 2.725 2.813 -0.206 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.705 1.791 0.828 1.00 0.00 H new ATOM 0 HG2 ARG A 1 5.294 1.422 -1.104 1.00 0.00 H new ATOM 0 HG3 ARG A 1 4.338 2.529 -2.069 1.00 0.00 H new ATOM 0 HD2 ARG A 1 5.990 3.972 -1.232 1.00 0.00 H new ATOM 0 HD3 ARG A 1 4.711 4.213 -0.059 1.00 0.00 H new ATOM 0 HE ARG A 1 6.182 2.054 0.971 1.00 0.00 H new ATOM 0 HH11 ARG A 1 6.896 5.393 0.010 1.00 0.00 H new ATOM 0 HH12 ARG A 1 8.220 5.570 1.166 1.00 0.00 H new ATOM 0 HH21 ARG A 1 7.893 2.284 2.467 1.00 0.00 H new ATOM 0 HH22 ARG A 1 8.785 3.806 2.561 1.00 0.00 H new ATOM 25 N VAL A 2 3.955 -0.751 -2.175 1.00 0.00 N ATOM 26 CA VAL A 2 4.896 -1.813 -2.487 1.00 0.00 C ATOM 27 C VAL A 2 5.911 -1.304 -3.512 1.00 0.00 C ATOM 28 O VAL A 2 5.609 -1.216 -4.700 1.00 0.00 O ATOM 29 CB VAL A 2 4.142 -3.058 -2.960 1.00 0.00 C ATOM 30 CG1 VAL A 2 3.639 -2.883 -4.393 1.00 0.00 C ATOM 31 CG2 VAL A 2 5.016 -4.308 -2.835 1.00 0.00 C ATOM 0 H VAL A 2 3.524 -0.311 -2.988 1.00 0.00 H new ATOM 0 HA VAL A 2 5.452 -2.105 -1.596 1.00 0.00 H new ATOM 0 HB VAL A 2 3.274 -3.189 -2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.107 -3.782 -4.704 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.965 -2.028 -4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.486 -2.714 -5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.457 -5.179 -3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.911 -4.189 -3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.303 -4.448 -1.793 1.00 0.00 H new ATOM 41 N ARG A 3 7.097 -0.982 -3.013 1.00 0.00 N ATOM 42 CA ARG A 3 8.159 -0.484 -3.871 1.00 0.00 C ATOM 43 C ARG A 3 9.114 -1.619 -4.246 1.00 0.00 C ATOM 44 O ARG A 3 8.866 -2.777 -3.917 1.00 0.00 O ATOM 45 CB ARG A 3 8.947 0.630 -3.179 1.00 0.00 C ATOM 46 CG ARG A 3 9.050 1.866 -4.075 1.00 0.00 C ATOM 47 CD ARG A 3 7.673 2.488 -4.313 1.00 0.00 C ATOM 48 NE ARG A 3 7.621 3.844 -3.722 1.00 0.00 N ATOM 49 CZ ARG A 3 6.496 4.555 -3.571 1.00 0.00 C ATOM 50 NH1 ARG A 3 5.321 4.044 -3.965 1.00 0.00 N ATOM 51 NH2 ARG A 3 6.544 5.779 -3.027 1.00 0.00 N ATOM 0 H ARG A 3 7.345 -1.056 -2.026 1.00 0.00 H new ATOM 0 HA ARG A 3 7.697 -0.081 -4.772 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.460 0.896 -2.241 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.946 0.273 -2.930 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.710 2.600 -3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.498 1.591 -5.030 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.468 2.540 -5.382 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.900 1.860 -3.871 1.00 0.00 H new ATOM 0 HE ARG A 3 8.497 4.263 -3.410 1.00 0.00 H new ATOM 0 HH11 ARG A 3 5.283 3.113 -4.380 1.00 0.00 H new ATOM 0 HH12 ARG A 3 4.465 4.586 -3.850 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.438 6.169 -2.728 1.00 0.00 H new ATOM 0 HH22 ARG A 3 5.687 6.320 -2.912 1.00 0.00 H new ATOM 65 N THR A 4 10.186 -1.245 -4.929 1.00 0.00 N ATOM 66 CA THR A 4 11.180 -2.217 -5.352 1.00 0.00 C ATOM 67 C THR A 4 12.569 -1.576 -5.393 1.00 0.00 C ATOM 68 O THR A 4 12.712 -0.421 -5.789 1.00 0.00 O ATOM 69 CB THR A 4 10.736 -2.791 -6.699 1.00 0.00 C ATOM 70 OG1 THR A 4 9.317 -2.879 -6.589 1.00 0.00 O ATOM 71 CG2 THR A 4 11.184 -4.241 -6.894 1.00 0.00 C ATOM 0 H THR A 4 10.388 -0.283 -5.200 1.00 0.00 H new ATOM 0 HA THR A 4 11.257 -3.040 -4.641 1.00 0.00 H new ATOM 0 HB THR A 4 11.136 -2.175 -7.505 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.946 -3.241 -7.421 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.843 -4.600 -7.865 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.272 -4.295 -6.849 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.757 -4.863 -6.107 1.00 0.00 H new ATOM 79 N ARG A 5 13.557 -2.355 -4.977 1.00 0.00 N ATOM 80 CA ARG A 5 14.929 -1.878 -4.962 1.00 0.00 C ATOM 81 C ARG A 5 15.901 -3.059 -4.935 1.00 0.00 C ATOM 82 O ARG A 5 15.533 -4.161 -4.529 1.00 0.00 O ATOM 83 CB ARG A 5 15.189 -0.986 -3.746 1.00 0.00 C ATOM 84 CG ARG A 5 16.558 -0.310 -3.843 1.00 0.00 C ATOM 85 CD ARG A 5 16.539 1.066 -3.175 1.00 0.00 C ATOM 86 NE ARG A 5 17.531 1.109 -2.077 1.00 0.00 N ATOM 87 CZ ARG A 5 17.525 2.021 -1.095 1.00 0.00 C ATOM 88 NH1 ARG A 5 16.581 2.971 -1.069 1.00 0.00 N ATOM 89 NH2 ARG A 5 18.465 1.982 -0.141 1.00 0.00 N ATOM 0 H ARG A 5 13.434 -3.313 -4.648 1.00 0.00 H new ATOM 0 HA ARG A 5 15.086 -1.293 -5.868 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.409 -0.228 -3.674 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.138 -1.583 -2.835 1.00 0.00 H new ATOM 0 HG2 ARG A 5 17.312 -0.938 -3.369 1.00 0.00 H new ATOM 0 HG3 ARG A 5 16.843 -0.206 -4.890 1.00 0.00 H new ATOM 0 HD2 ARG A 5 16.764 1.839 -3.910 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.543 1.276 -2.785 1.00 0.00 H new ATOM 0 HE ARG A 5 18.265 0.400 -2.067 1.00 0.00 H new ATOM 0 HH11 ARG A 5 15.867 3.000 -1.797 1.00 0.00 H new ATOM 0 HH12 ARG A 5 16.576 3.665 -0.322 1.00 0.00 H new ATOM 0 HH21 ARG A 5 19.184 1.259 -0.163 1.00 0.00 H new ATOM 0 HH22 ARG A 5 18.462 2.676 0.607 1.00 0.00 H new ATOM 103 N LYS A 6 17.123 -2.789 -5.371 1.00 0.00 N ATOM 104 CA LYS A 6 18.150 -3.816 -5.401 1.00 0.00 C ATOM 105 C LYS A 6 17.568 -5.097 -6.002 1.00 0.00 C ATOM 106 O LYS A 6 17.879 -6.197 -5.549 1.00 0.00 O ATOM 107 CB LYS A 6 18.756 -4.011 -4.009 1.00 0.00 C ATOM 108 CG LYS A 6 19.625 -2.814 -3.617 1.00 0.00 C ATOM 109 CD LYS A 6 20.031 -2.890 -2.145 1.00 0.00 C ATOM 110 CE LYS A 6 18.799 -2.950 -1.239 1.00 0.00 C ATOM 111 NZ LYS A 6 19.034 -2.182 0.005 1.00 0.00 N ATOM 0 H LYS A 6 17.425 -1.874 -5.706 1.00 0.00 H new ATOM 0 HA LYS A 6 18.976 -3.508 -6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 6 17.959 -4.142 -3.277 1.00 0.00 H new ATOM 0 HB3 LYS A 6 19.356 -4.921 -3.994 1.00 0.00 H new ATOM 0 HG2 LYS A 6 20.517 -2.787 -4.243 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.079 -1.888 -3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 6 20.651 -3.771 -1.980 1.00 0.00 H new ATOM 0 HD3 LYS A 6 20.636 -2.021 -1.885 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.933 -2.547 -1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.569 -3.987 -0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.189 -2.232 0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 19.847 -2.585 0.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.231 -1.189 -0.232 1.00 0.00 H new ATOM 125 N GLY A 7 16.733 -4.912 -7.014 1.00 0.00 N ATOM 126 CA GLY A 7 16.105 -6.038 -7.683 1.00 0.00 C ATOM 127 C GLY A 7 15.338 -6.909 -6.685 1.00 0.00 C ATOM 128 O GLY A 7 15.261 -8.126 -6.850 1.00 0.00 O ATOM 0 H GLY A 7 16.477 -3.998 -7.387 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.424 -5.675 -8.453 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.864 -6.637 -8.186 1.00 0.00 H new ATOM 132 N ARG A 8 14.792 -6.252 -5.672 1.00 0.00 N ATOM 133 CA ARG A 8 14.035 -6.951 -4.649 1.00 0.00 C ATOM 134 C ARG A 8 12.707 -6.236 -4.389 1.00 0.00 C ATOM 135 O ARG A 8 12.546 -5.071 -4.746 1.00 0.00 O ATOM 136 CB ARG A 8 14.825 -7.037 -3.341 1.00 0.00 C ATOM 137 CG ARG A 8 16.086 -7.886 -3.516 1.00 0.00 C ATOM 138 CD ARG A 8 16.263 -8.851 -2.343 1.00 0.00 C ATOM 139 NE ARG A 8 15.774 -10.197 -2.716 1.00 0.00 N ATOM 140 CZ ARG A 8 16.426 -11.034 -3.535 1.00 0.00 C ATOM 141 NH1 ARG A 8 17.598 -10.667 -4.072 1.00 0.00 N ATOM 142 NH2 ARG A 8 15.906 -12.236 -3.818 1.00 0.00 N ATOM 0 H ARG A 8 14.859 -5.243 -5.538 1.00 0.00 H new ATOM 0 HA ARG A 8 13.843 -7.961 -5.011 1.00 0.00 H new ATOM 0 HB2 ARG A 8 15.100 -6.035 -3.012 1.00 0.00 H new ATOM 0 HB3 ARG A 8 14.198 -7.468 -2.561 1.00 0.00 H new ATOM 0 HG2 ARG A 8 16.024 -8.448 -4.448 1.00 0.00 H new ATOM 0 HG3 ARG A 8 16.958 -7.237 -3.593 1.00 0.00 H new ATOM 0 HD2 ARG A 8 17.314 -8.903 -2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.716 -8.484 -1.474 1.00 0.00 H new ATOM 0 HE ARG A 8 14.884 -10.507 -2.325 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.993 -9.751 -3.857 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.095 -11.303 -4.695 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.014 -12.514 -3.410 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.403 -12.873 -4.441 1.00 0.00 H new ATOM 156 N ARG A 9 11.791 -6.966 -3.769 1.00 0.00 N ATOM 157 CA ARG A 9 10.482 -6.415 -3.457 1.00 0.00 C ATOM 158 C ARG A 9 10.315 -6.271 -1.943 1.00 0.00 C ATOM 159 O ARG A 9 10.707 -7.156 -1.185 1.00 0.00 O ATOM 160 CB ARG A 9 9.366 -7.307 -4.004 1.00 0.00 C ATOM 161 CG ARG A 9 7.990 -6.716 -3.689 1.00 0.00 C ATOM 162 CD ARG A 9 7.361 -6.093 -4.938 1.00 0.00 C ATOM 163 NE ARG A 9 6.102 -6.794 -5.273 1.00 0.00 N ATOM 164 CZ ARG A 9 6.041 -7.931 -5.978 1.00 0.00 C ATOM 165 NH1 ARG A 9 7.167 -8.504 -6.426 1.00 0.00 N ATOM 166 NH2 ARG A 9 4.854 -8.498 -6.236 1.00 0.00 N ATOM 0 H ARG A 9 11.929 -7.933 -3.475 1.00 0.00 H new ATOM 0 HA ARG A 9 10.412 -5.435 -3.928 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.480 -7.419 -5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.446 -8.304 -3.570 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.336 -7.496 -3.299 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.085 -5.960 -2.910 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.163 -5.035 -4.767 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.056 -6.156 -5.775 1.00 0.00 H new ATOM 0 HE ARG A 9 5.226 -6.386 -4.947 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.071 -8.074 -6.230 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.120 -9.370 -6.963 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.996 -8.063 -5.895 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.808 -9.364 -6.773 1.00 0.00 H new ATOM 180 N ILE A 10 9.730 -5.149 -1.549 1.00 0.00 N ATOM 181 CA ILE A 10 9.506 -4.878 -0.139 1.00 0.00 C ATOM 182 C ILE A 10 8.067 -4.397 0.061 1.00 0.00 C ATOM 183 O ILE A 10 7.538 -3.650 -0.763 1.00 0.00 O ATOM 184 CB ILE A 10 10.559 -3.903 0.393 1.00 0.00 C ATOM 185 CG1 ILE A 10 11.433 -3.368 -0.742 1.00 0.00 C ATOM 186 CG2 ILE A 10 11.390 -4.549 1.504 1.00 0.00 C ATOM 187 CD1 ILE A 10 10.634 -2.442 -1.660 1.00 0.00 C ATOM 0 H ILE A 10 9.405 -4.418 -2.181 1.00 0.00 H new ATOM 0 HA ILE A 10 9.623 -5.789 0.447 1.00 0.00 H new ATOM 0 HB ILE A 10 10.045 -3.048 0.832 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.284 -2.828 -0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.835 -4.200 -1.320 1.00 0.00 H new ATOM 0 HG21 ILE A 10 12.131 -3.836 1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.735 -4.840 2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 10 11.896 -5.432 1.113 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.279 -2.076 -2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.798 -2.991 -2.093 1.00 0.00 H new ATOM 0 HD13 ILE A 10 10.254 -1.598 -1.084 1.00 0.00 H new ATOM 199 N ARG A 11 7.474 -4.845 1.157 1.00 0.00 N ATOM 200 CA ARG A 11 6.106 -4.470 1.474 1.00 0.00 C ATOM 201 C ARG A 11 6.064 -3.672 2.779 1.00 0.00 C ATOM 202 O ARG A 11 6.770 -3.997 3.733 1.00 0.00 O ATOM 203 CB ARG A 11 5.214 -5.705 1.611 1.00 0.00 C ATOM 204 CG ARG A 11 3.789 -5.407 1.140 1.00 0.00 C ATOM 205 CD ARG A 11 2.861 -6.591 1.416 1.00 0.00 C ATOM 206 NE ARG A 11 1.688 -6.537 0.515 1.00 0.00 N ATOM 207 CZ ARG A 11 0.527 -7.162 0.752 1.00 0.00 C ATOM 208 NH1 ARG A 11 0.376 -7.893 1.865 1.00 0.00 N ATOM 209 NH2 ARG A 11 -0.483 -7.057 -0.122 1.00 0.00 N ATOM 0 H ARG A 11 7.915 -5.464 1.837 1.00 0.00 H new ATOM 0 HA ARG A 11 5.732 -3.855 0.655 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.630 -6.525 1.026 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.196 -6.032 2.651 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.413 -4.519 1.648 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.794 -5.185 0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.399 -7.527 1.269 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.533 -6.572 2.455 1.00 0.00 H new ATOM 0 HE ARG A 11 1.769 -5.989 -0.341 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.145 -7.973 2.531 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.508 -8.369 2.046 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.369 -6.501 -0.969 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.366 -7.533 0.060 1.00 0.00 H new ATOM 223 N ILE A 12 5.229 -2.643 2.780 1.00 0.00 N ATOM 224 CA ILE A 12 5.085 -1.797 3.953 1.00 0.00 C ATOM 225 C ILE A 12 3.861 -0.897 3.779 1.00 0.00 C ATOM 226 O ILE A 12 3.866 0.148 3.127 1.00 0.00 O ATOM 227 CB ILE A 12 6.381 -1.028 4.220 1.00 0.00 C ATOM 228 CG1 ILE A 12 6.567 -0.770 5.716 1.00 0.00 C ATOM 229 CG2 ILE A 12 6.429 0.266 3.404 1.00 0.00 C ATOM 230 CD1 ILE A 12 5.318 -0.124 6.320 1.00 0.00 C ATOM 0 H ILE A 12 4.645 -2.376 1.987 1.00 0.00 H new ATOM 0 HA ILE A 12 4.912 -2.403 4.842 1.00 0.00 H new ATOM 0 HB ILE A 12 7.218 -1.645 3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.779 -1.709 6.227 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.429 -0.121 5.872 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.360 0.793 3.612 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.376 0.028 2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.585 0.899 3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.476 0.049 7.384 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.123 0.826 5.823 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.463 -0.787 6.183 1.00 0.00 H new ATOM 242 N PRO A 13 2.735 -1.332 4.406 1.00 0.00 N ATOM 243 CA PRO A 13 1.496 -0.501 4.489 1.00 0.00 C ATOM 244 C PRO A 13 0.787 -0.218 3.115 1.00 0.00 C ATOM 245 O PRO A 13 0.237 -1.110 2.468 1.00 0.00 O ATOM 246 CB PRO A 13 0.673 -1.333 5.498 1.00 0.00 C ATOM 247 CG PRO A 13 1.070 -2.788 5.231 1.00 0.00 C ATOM 248 CD PRO A 13 2.562 -2.712 4.907 1.00 0.00 C ATOM 0 HA PRO A 13 1.670 0.529 4.801 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.899 -1.044 6.524 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.397 -1.183 5.353 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.882 -3.419 6.100 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.503 -3.211 4.402 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.175 -2.899 5.789 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.848 -3.450 4.158 1.00 0.00 H new ATOM 256 N PRO A 14 0.787 1.062 2.693 1.00 0.00 N ATOM 257 CA PRO A 14 -0.004 1.503 1.514 1.00 0.00 C ATOM 258 C PRO A 14 0.406 0.937 0.112 1.00 0.00 C ATOM 259 O PRO A 14 -0.042 1.418 -0.923 1.00 0.00 O ATOM 260 CB PRO A 14 0.104 3.039 1.651 1.00 0.00 C ATOM 261 CG PRO A 14 1.411 3.302 2.411 1.00 0.00 C ATOM 262 CD PRO A 14 1.529 2.130 3.385 1.00 0.00 C ATOM 0 HA PRO A 14 -1.020 1.108 1.530 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.118 3.519 0.672 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.751 3.444 2.192 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.263 3.342 1.733 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.379 4.255 2.939 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.568 1.853 3.562 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.092 2.364 4.356 1.00 0.00 H new