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= -0.135 (180deg=-0.135) USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.31! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.366 -0.095 -0.005 1.00 0.00 N ATOM 2 CA ARG A 1 2.063 -0.133 -1.279 1.00 0.00 C ATOM 3 C ARG A 1 3.258 -1.085 -1.202 1.00 0.00 C ATOM 4 O ARG A 1 3.651 -1.507 -0.115 1.00 0.00 O ATOM 5 CB ARG A 1 2.555 1.259 -1.679 1.00 0.00 C ATOM 6 CG ARG A 1 2.171 1.582 -3.125 1.00 0.00 C ATOM 7 CD ARG A 1 2.690 2.962 -3.536 1.00 0.00 C ATOM 8 NE ARG A 1 2.181 3.314 -4.880 1.00 0.00 N ATOM 9 CZ ARG A 1 2.646 4.334 -5.615 1.00 0.00 C ATOM 10 NH1 ARG A 1 3.630 5.108 -5.140 1.00 0.00 N ATOM 11 NH2 ARG A 1 2.124 4.580 -6.825 1.00 0.00 N ATOM 0 H3 ARG A 1 0.557 0.555 -0.071 1.00 0.00 H new ATOM 0 HA ARG A 1 1.359 -0.488 -2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 1 2.128 2.006 -1.010 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.638 1.312 -1.566 1.00 0.00 H new ATOM 0 HG2 ARG A 1 2.580 0.823 -3.792 1.00 0.00 H new ATOM 0 HG3 ARG A 1 1.087 1.551 -3.233 1.00 0.00 H new ATOM 0 HD2 ARG A 1 2.372 3.710 -2.810 1.00 0.00 H new ATOM 0 HD3 ARG A 1 3.780 2.964 -3.539 1.00 0.00 H new ATOM 0 HE ARG A 1 1.430 2.745 -5.271 1.00 0.00 H new ATOM 0 HH11 ARG A 1 4.026 4.921 -4.219 1.00 0.00 H new ATOM 0 HH12 ARG A 1 3.984 5.884 -5.700 1.00 0.00 H new ATOM 0 HH21 ARG A 1 1.373 3.991 -7.186 1.00 0.00 H new ATOM 0 HH22 ARG A 1 2.477 5.356 -7.385 1.00 0.00 H new ATOM 25 N VAL A 2 3.803 -1.395 -2.368 1.00 0.00 N ATOM 26 CA VAL A 2 4.945 -2.290 -2.447 1.00 0.00 C ATOM 27 C VAL A 2 6.070 -1.608 -3.228 1.00 0.00 C ATOM 28 O VAL A 2 6.027 -1.541 -4.455 1.00 0.00 O ATOM 29 CB VAL A 2 4.521 -3.628 -3.056 1.00 0.00 C ATOM 30 CG1 VAL A 2 4.164 -3.469 -4.535 1.00 0.00 C ATOM 31 CG2 VAL A 2 5.609 -4.688 -2.866 1.00 0.00 C ATOM 0 H VAL A 2 3.475 -1.042 -3.267 1.00 0.00 H new ATOM 0 HA VAL A 2 5.328 -2.509 -1.450 1.00 0.00 H new ATOM 0 HB VAL A 2 3.628 -3.966 -2.530 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.866 -4.435 -4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.340 -2.763 -4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.031 -3.096 -5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.281 -5.629 -3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.527 -4.358 -3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.794 -4.832 -1.802 1.00 0.00 H new ATOM 41 N ARG A 3 7.051 -1.118 -2.483 1.00 0.00 N ATOM 42 CA ARG A 3 8.185 -0.443 -3.091 1.00 0.00 C ATOM 43 C ARG A 3 9.084 -1.455 -3.805 1.00 0.00 C ATOM 44 O ARG A 3 8.707 -2.612 -3.978 1.00 0.00 O ATOM 45 CB ARG A 3 9.008 0.306 -2.039 1.00 0.00 C ATOM 46 CG ARG A 3 8.940 1.817 -2.266 1.00 0.00 C ATOM 47 CD ARG A 3 10.307 2.467 -2.041 1.00 0.00 C ATOM 48 NE ARG A 3 10.264 3.332 -0.840 1.00 0.00 N ATOM 49 CZ ARG A 3 10.275 2.871 0.418 1.00 0.00 C ATOM 50 NH1 ARG A 3 10.327 1.552 0.648 1.00 0.00 N ATOM 51 NH2 ARG A 3 10.234 3.729 1.446 1.00 0.00 N ATOM 0 H ARG A 3 7.084 -1.175 -1.465 1.00 0.00 H new ATOM 0 HA ARG A 3 7.796 0.276 -3.812 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.636 0.067 -1.043 1.00 0.00 H new ATOM 0 HB3 ARG A 3 10.046 -0.025 -2.080 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.599 2.021 -3.281 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.208 2.258 -1.589 1.00 0.00 H new ATOM 0 HD2 ARG A 3 11.069 1.697 -1.918 1.00 0.00 H new ATOM 0 HD3 ARG A 3 10.587 3.056 -2.914 1.00 0.00 H new ATOM 0 HE ARG A 3 10.223 4.342 -0.979 1.00 0.00 H new ATOM 0 HH11 ARG A 3 10.358 0.899 -0.135 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.335 1.201 1.606 1.00 0.00 H new ATOM 0 HH21 ARG A 3 10.194 4.733 1.271 1.00 0.00 H new ATOM 0 HH22 ARG A 3 10.242 3.378 2.404 1.00 0.00 H new ATOM 65 N THR A 4 10.256 -0.980 -4.202 1.00 0.00 N ATOM 66 CA THR A 4 11.211 -1.828 -4.894 1.00 0.00 C ATOM 67 C THR A 4 12.639 -1.343 -4.638 1.00 0.00 C ATOM 68 O THR A 4 12.887 -0.139 -4.566 1.00 0.00 O ATOM 69 CB THR A 4 10.835 -1.851 -6.377 1.00 0.00 C ATOM 70 OG1 THR A 4 9.411 -1.886 -6.374 1.00 0.00 O ATOM 71 CG2 THR A 4 11.239 -3.157 -7.064 1.00 0.00 C ATOM 0 H THR A 4 10.565 -0.019 -4.057 1.00 0.00 H new ATOM 0 HA THR A 4 11.176 -2.851 -4.518 1.00 0.00 H new ATOM 0 HB THR A 4 11.311 -1.012 -6.885 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.082 -1.901 -7.297 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.949 -3.121 -8.114 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.319 -3.288 -6.990 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.738 -3.994 -6.578 1.00 0.00 H new ATOM 79 N ARG A 5 13.542 -2.304 -4.505 1.00 0.00 N ATOM 80 CA ARG A 5 14.939 -1.989 -4.257 1.00 0.00 C ATOM 81 C ARG A 5 15.808 -3.231 -4.471 1.00 0.00 C ATOM 82 O ARG A 5 15.315 -4.356 -4.411 1.00 0.00 O ATOM 83 CB ARG A 5 15.143 -1.473 -2.831 1.00 0.00 C ATOM 84 CG ARG A 5 16.459 -0.703 -2.710 1.00 0.00 C ATOM 85 CD ARG A 5 17.453 -1.452 -1.822 1.00 0.00 C ATOM 86 NE ARG A 5 17.623 -0.738 -0.538 1.00 0.00 N ATOM 87 CZ ARG A 5 18.171 -1.282 0.558 1.00 0.00 C ATOM 88 NH1 ARG A 5 18.604 -2.550 0.531 1.00 0.00 N ATOM 89 NH2 ARG A 5 18.284 -0.558 1.680 1.00 0.00 N ATOM 0 H ARG A 5 13.333 -3.301 -4.564 1.00 0.00 H new ATOM 0 HA ARG A 5 15.233 -1.209 -4.959 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.312 -0.825 -2.552 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.142 -2.311 -2.134 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.890 -0.555 -3.700 1.00 0.00 H new ATOM 0 HG3 ARG A 5 16.269 0.286 -2.294 1.00 0.00 H new ATOM 0 HD2 ARG A 5 17.097 -2.466 -1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 5 18.414 -1.538 -2.330 1.00 0.00 H new ATOM 0 HE ARG A 5 17.303 0.229 -0.483 1.00 0.00 H new ATOM 0 HH11 ARG A 5 18.517 -3.101 -0.323 1.00 0.00 H new ATOM 0 HH12 ARG A 5 19.021 -2.964 1.365 1.00 0.00 H new ATOM 0 HH21 ARG A 5 17.953 0.407 1.700 1.00 0.00 H new ATOM 0 HH22 ARG A 5 18.701 -0.972 2.514 1.00 0.00 H new ATOM 103 N LYS A 6 17.085 -2.983 -4.718 1.00 0.00 N ATOM 104 CA LYS A 6 18.028 -4.066 -4.942 1.00 0.00 C ATOM 105 C LYS A 6 17.434 -5.053 -5.949 1.00 0.00 C ATOM 106 O LYS A 6 17.788 -6.232 -5.952 1.00 0.00 O ATOM 107 CB LYS A 6 18.430 -4.710 -3.614 1.00 0.00 C ATOM 108 CG LYS A 6 19.952 -4.757 -3.466 1.00 0.00 C ATOM 109 CD LYS A 6 20.458 -3.578 -2.631 1.00 0.00 C ATOM 110 CE LYS A 6 21.873 -3.840 -2.113 1.00 0.00 C ATOM 111 NZ LYS A 6 22.842 -2.934 -2.768 1.00 0.00 N ATOM 0 H LYS A 6 17.489 -2.048 -4.768 1.00 0.00 H new ATOM 0 HA LYS A 6 18.952 -3.683 -5.376 1.00 0.00 H new ATOM 0 HB2 LYS A 6 17.998 -4.147 -2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 6 18.024 -5.720 -3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 6 20.246 -5.694 -2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 6 20.418 -4.736 -4.451 1.00 0.00 H new ATOM 0 HD2 LYS A 6 20.450 -2.670 -3.235 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.785 -3.408 -1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.904 -3.695 -1.033 1.00 0.00 H new ATOM 0 HE3 LYS A 6 22.150 -4.877 -2.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 23.797 -3.126 -2.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.825 -3.092 -3.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 22.586 -1.947 -2.565 1.00 0.00 H new ATOM 125 N GLY A 7 16.540 -4.536 -6.780 1.00 0.00 N ATOM 126 CA GLY A 7 15.894 -5.357 -7.790 1.00 0.00 C ATOM 127 C GLY A 7 15.022 -6.436 -7.143 1.00 0.00 C ATOM 128 O GLY A 7 14.828 -7.508 -7.714 1.00 0.00 O ATOM 0 H GLY A 7 16.248 -3.559 -6.774 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.282 -4.729 -8.437 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.649 -5.825 -8.421 1.00 0.00 H new ATOM 132 N ARG A 8 14.520 -6.115 -5.959 1.00 0.00 N ATOM 133 CA ARG A 8 13.673 -7.043 -5.229 1.00 0.00 C ATOM 134 C ARG A 8 12.366 -6.360 -4.821 1.00 0.00 C ATOM 135 O ARG A 8 12.196 -5.161 -5.031 1.00 0.00 O ATOM 136 CB ARG A 8 14.381 -7.565 -3.977 1.00 0.00 C ATOM 137 CG ARG A 8 14.288 -6.554 -2.832 1.00 0.00 C ATOM 138 CD ARG A 8 15.635 -6.401 -2.124 1.00 0.00 C ATOM 139 NE ARG A 8 15.663 -7.236 -0.903 1.00 0.00 N ATOM 140 CZ ARG A 8 16.766 -7.474 -0.180 1.00 0.00 C ATOM 141 NH1 ARG A 8 17.938 -6.942 -0.551 1.00 0.00 N ATOM 142 NH2 ARG A 8 16.697 -8.244 0.914 1.00 0.00 N ATOM 0 H ARG A 8 14.684 -5.225 -5.487 1.00 0.00 H new ATOM 0 HA ARG A 8 13.457 -7.884 -5.888 1.00 0.00 H new ATOM 0 HB2 ARG A 8 13.934 -8.510 -3.669 1.00 0.00 H new ATOM 0 HB3 ARG A 8 15.428 -7.767 -4.204 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.966 -5.588 -3.221 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.532 -6.878 -2.117 1.00 0.00 H new ATOM 0 HD2 ARG A 8 16.443 -6.695 -2.794 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.802 -5.356 -1.864 1.00 0.00 H new ATOM 0 HE ARG A 8 14.788 -7.657 -0.592 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.991 -6.356 -1.384 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.777 -7.123 -0.001 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.805 -8.649 1.197 1.00 0.00 H new ATOM 0 HH22 ARG A 8 17.537 -8.425 1.464 1.00 0.00 H new ATOM 156 N ARG A 9 11.476 -7.154 -4.244 1.00 0.00 N ATOM 157 CA ARG A 9 10.190 -6.642 -3.804 1.00 0.00 C ATOM 158 C ARG A 9 10.152 -6.542 -2.277 1.00 0.00 C ATOM 159 O ARG A 9 10.652 -7.423 -1.581 1.00 0.00 O ATOM 160 CB ARG A 9 9.048 -7.542 -4.277 1.00 0.00 C ATOM 161 CG ARG A 9 7.704 -7.054 -3.733 1.00 0.00 C ATOM 162 CD ARG A 9 7.295 -7.847 -2.489 1.00 0.00 C ATOM 163 NE ARG A 9 6.982 -9.244 -2.860 1.00 0.00 N ATOM 164 CZ ARG A 9 6.255 -10.078 -2.104 1.00 0.00 C ATOM 165 NH1 ARG A 9 5.762 -9.660 -0.931 1.00 0.00 N ATOM 166 NH2 ARG A 9 6.021 -11.330 -2.520 1.00 0.00 N ATOM 0 H ARG A 9 11.621 -8.149 -4.071 1.00 0.00 H new ATOM 0 HA ARG A 9 10.061 -5.651 -4.240 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.020 -7.557 -5.367 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.227 -8.566 -3.949 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.770 -5.994 -3.487 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.938 -7.156 -4.502 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.101 -7.829 -1.755 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.427 -7.383 -2.021 1.00 0.00 H new ATOM 0 HE ARG A 9 7.342 -9.595 -3.747 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.940 -8.707 -0.613 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.209 -10.294 -0.355 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.396 -11.649 -3.413 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.467 -11.964 -1.944 1.00 0.00 H new ATOM 180 N ILE A 10 9.554 -5.459 -1.801 1.00 0.00 N ATOM 181 CA ILE A 10 9.444 -5.232 -0.371 1.00 0.00 C ATOM 182 C ILE A 10 8.059 -4.665 -0.054 1.00 0.00 C ATOM 183 O ILE A 10 7.413 -4.075 -0.918 1.00 0.00 O ATOM 184 CB ILE A 10 10.596 -4.353 0.122 1.00 0.00 C ATOM 185 CG1 ILE A 10 11.779 -4.405 -0.847 1.00 0.00 C ATOM 186 CG2 ILE A 10 11.005 -4.733 1.547 1.00 0.00 C ATOM 187 CD1 ILE A 10 11.486 -3.600 -2.115 1.00 0.00 C ATOM 0 H ILE A 10 9.141 -4.729 -2.381 1.00 0.00 H new ATOM 0 HA ILE A 10 9.536 -6.173 0.172 1.00 0.00 H new ATOM 0 HB ILE A 10 10.249 -3.320 0.151 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.670 -4.010 -0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.992 -5.441 -1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.825 -4.093 1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.155 -4.602 2.217 1.00 0.00 H new ATOM 0 HG23 ILE A 10 11.327 -5.774 1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.343 -3.654 -2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.609 -4.012 -2.613 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.297 -2.560 -1.850 1.00 0.00 H new ATOM 199 N ARG A 11 7.643 -4.866 1.188 1.00 0.00 N ATOM 200 CA ARG A 11 6.347 -4.382 1.631 1.00 0.00 C ATOM 201 C ARG A 11 6.521 -3.266 2.662 1.00 0.00 C ATOM 202 O ARG A 11 7.388 -3.347 3.530 1.00 0.00 O ATOM 203 CB ARG A 11 5.519 -5.511 2.247 1.00 0.00 C ATOM 204 CG ARG A 11 4.027 -5.309 1.975 1.00 0.00 C ATOM 205 CD ARG A 11 3.300 -6.652 1.877 1.00 0.00 C ATOM 206 NE ARG A 11 2.450 -6.681 0.665 1.00 0.00 N ATOM 207 CZ ARG A 11 1.650 -7.703 0.334 1.00 0.00 C ATOM 208 NH1 ARG A 11 1.584 -8.785 1.122 1.00 0.00 N ATOM 209 NH2 ARG A 11 0.914 -7.642 -0.784 1.00 0.00 N ATOM 0 H ARG A 11 8.181 -5.358 1.901 1.00 0.00 H new ATOM 0 HA ARG A 11 5.821 -3.996 0.758 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.841 -6.468 1.837 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.694 -5.550 3.322 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.586 -4.710 2.772 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.895 -4.752 1.048 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.025 -7.465 1.842 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.687 -6.809 2.765 1.00 0.00 H new ATOM 0 HE ARG A 11 2.475 -5.873 0.044 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.143 -8.830 1.974 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.975 -9.563 0.870 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.963 -6.818 -1.383 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.305 -8.420 -1.037 1.00 0.00 H new ATOM 223 N ILE A 12 5.681 -2.248 2.532 1.00 0.00 N ATOM 224 CA ILE A 12 5.731 -1.116 3.442 1.00 0.00 C ATOM 225 C ILE A 12 4.439 -0.305 3.311 1.00 0.00 C ATOM 226 O ILE A 12 4.271 0.582 2.474 1.00 0.00 O ATOM 227 CB ILE A 12 6.999 -0.294 3.206 1.00 0.00 C ATOM 228 CG1 ILE A 12 7.429 0.430 4.484 1.00 0.00 C ATOM 229 CG2 ILE A 12 6.817 0.671 2.033 1.00 0.00 C ATOM 230 CD1 ILE A 12 8.104 -0.533 5.460 1.00 0.00 C ATOM 0 H ILE A 12 4.963 -2.184 1.811 1.00 0.00 H new ATOM 0 HA ILE A 12 5.790 -1.460 4.475 1.00 0.00 H new ATOM 0 HB ILE A 12 7.804 -0.978 2.937 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.115 1.240 4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.559 0.884 4.959 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.733 1.243 1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.594 0.106 1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.994 1.353 2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.399 0.008 6.359 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.408 -1.328 5.727 1.00 0.00 H new ATOM 0 HD13 ILE A 12 8.987 -0.967 4.991 1.00 0.00 H new ATOM 242 N PRO A 13 3.463 -0.633 4.199 1.00 0.00 N ATOM 243 CA PRO A 13 2.205 0.161 4.331 1.00 0.00 C ATOM 244 C PRO A 13 1.227 0.076 3.105 1.00 0.00 C ATOM 245 O PRO A 13 0.673 -0.976 2.782 1.00 0.00 O ATOM 246 CB PRO A 13 1.655 -0.409 5.657 1.00 0.00 C ATOM 247 CG PRO A 13 2.100 -1.875 5.672 1.00 0.00 C ATOM 248 CD PRO A 13 3.492 -1.848 5.040 1.00 0.00 C ATOM 0 HA PRO A 13 2.359 1.240 4.343 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.053 0.133 6.515 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.569 -0.325 5.703 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.130 -2.272 6.687 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.416 -2.505 5.103 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.275 -1.795 5.796 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.681 -2.743 4.447 1.00 0.00 H new ATOM 256 N PRO A 14 1.001 1.224 2.437 1.00 0.00 N ATOM 257 CA PRO A 14 -0.040 1.329 1.380 1.00 0.00 C ATOM 258 C PRO A 14 0.119 0.424 0.111 1.00 0.00 C ATOM 259 O PRO A 14 -0.645 0.525 -0.843 1.00 0.00 O ATOM 260 CB PRO A 14 -0.017 2.849 1.099 1.00 0.00 C ATOM 261 CG PRO A 14 1.394 3.323 1.474 1.00 0.00 C ATOM 262 CD PRO A 14 1.789 2.448 2.664 1.00 0.00 C ATOM 0 HA PRO A 14 -1.001 0.935 1.711 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.233 3.056 0.051 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.773 3.367 1.689 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.088 3.199 0.643 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.400 4.380 1.740 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.860 2.244 2.680 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.540 2.920 3.615 1.00 0.00 H new