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+ -147:sc= -0.546 (180deg=-2.37!) USER MOD Single : 1 4 THR OG1 : rot -47:sc= -0.759! USER MOD Single : 1 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG 1 1 3.663 -4.241 5.037 1.00 0.00 N ATOM 2 CA ARG 1 1 4.337 -3.426 3.984 1.00 0.00 C ATOM 3 C ARG 1 1 4.468 -1.979 4.461 1.00 0.00 C ATOM 4 O ARG 1 1 3.781 -1.549 5.368 1.00 0.00 O ATOM 5 CB ARG 1 1 3.500 -3.449 2.700 1.00 0.00 C ATOM 6 CG ARG 1 1 3.099 -4.887 2.370 1.00 0.00 C ATOM 7 CD ARG 1 1 1.688 -4.901 1.780 1.00 0.00 C ATOM 8 NE ARG 1 1 1.772 -5.001 0.295 1.00 0.00 N ATOM 9 CZ ARG 1 1 0.682 -5.116 -0.413 1.00 0.00 C ATOM 10 NH1 ARG 1 1 -0.483 -4.983 0.158 1.00 0.00 N ATOM 11 NH2 ARG 1 1 0.758 -5.358 -1.693 1.00 0.00 N ATOM 0 H3 ARG 1 1 4.039 -5.211 5.019 1.00 0.00 H new ATOM 0 HA ARG 1 1 5.325 -3.843 3.789 1.00 0.00 H new ATOM 0 HB2 ARG 1 1 2.610 -2.833 2.824 1.00 0.00 H new ATOM 0 HB3 ARG 1 1 4.071 -3.022 1.875 1.00 0.00 H new ATOM 0 HG2 ARG 1 1 3.805 -5.319 1.661 1.00 0.00 H new ATOM 0 HG3 ARG 1 1 3.134 -5.501 3.270 1.00 0.00 H new ATOM 0 HD2 ARG 1 1 1.123 -5.743 2.181 1.00 0.00 H new ATOM 0 HD3 ARG 1 1 1.154 -3.994 2.065 1.00 0.00 H new ATOM 0 HE ARG 1 1 2.681 -4.980 -0.167 1.00 0.00 H new ATOM 0 HH11 ARG 1 1 -0.542 -4.789 1.158 1.00 0.00 H new ATOM 0 HH12 ARG 1 1 -1.335 -5.073 -0.395 1.00 0.00 H new ATOM 0 HH21 ARG 1 1 1.669 -5.457 -2.140 1.00 0.00 H new ATOM 0 HH22 ARG 1 1 -0.094 -5.448 -2.246 1.00 0.00 H new ATOM 25 N VAL 1 2 5.334 -1.222 3.848 1.00 0.00 N ATOM 26 CA VAL 1 2 5.481 0.207 4.236 1.00 0.00 C ATOM 27 C VAL 1 2 5.934 1.005 3.013 1.00 0.00 C ATOM 28 O VAL 1 2 6.993 1.602 3.009 1.00 0.00 O ATOM 29 CB VAL 1 2 6.525 0.335 5.344 1.00 0.00 C ATOM 30 CG1 VAL 1 2 6.573 1.783 5.837 1.00 0.00 C ATOM 31 CG2 VAL 1 2 6.152 -0.585 6.510 1.00 0.00 C ATOM 0 H VAL 1 2 5.947 -1.532 3.094 1.00 0.00 H new ATOM 0 HA VAL 1 2 4.528 0.591 4.599 1.00 0.00 H new ATOM 0 HB VAL 1 2 7.502 0.050 4.953 1.00 0.00 H new ATOM 0 HG11 VAL 1 2 7.318 1.874 6.627 1.00 0.00 H new ATOM 0 HG12 VAL 1 2 6.840 2.440 5.010 1.00 0.00 H new ATOM 0 HG13 VAL 1 2 5.595 2.068 6.226 1.00 0.00 H new ATOM 0 HG21 VAL 1 2 6.898 -0.492 7.299 1.00 0.00 H new ATOM 0 HG22 VAL 1 2 5.174 -0.301 6.899 1.00 0.00 H new ATOM 0 HG23 VAL 1 2 6.118 -1.617 6.162 1.00 0.00 H new ATOM 41 N ARG 1 3 5.150 1.020 1.971 1.00 0.00 N ATOM 42 CA ARG 1 3 5.560 1.764 0.748 1.00 0.00 C ATOM 43 C ARG 1 3 6.052 3.156 1.144 1.00 0.00 C ATOM 44 O ARG 1 3 5.526 3.778 2.045 1.00 0.00 O ATOM 45 CB ARG 1 3 4.364 1.896 -0.200 1.00 0.00 C ATOM 46 CG ARG 1 3 4.315 0.690 -1.143 1.00 0.00 C ATOM 47 CD ARG 1 3 3.238 -0.286 -0.667 1.00 0.00 C ATOM 48 NE ARG 1 3 1.892 0.261 -0.999 1.00 0.00 N ATOM 49 CZ ARG 1 3 1.560 0.460 -2.245 1.00 0.00 C ATOM 50 NH1 ARG 1 3 2.368 0.092 -3.202 1.00 0.00 N ATOM 51 NH2 ARG 1 3 0.422 1.030 -2.534 1.00 0.00 N ATOM 0 H ARG 1 3 4.246 0.551 1.914 1.00 0.00 H new ATOM 0 HA ARG 1 3 6.361 1.222 0.245 1.00 0.00 H new ATOM 0 HB2 ARG 1 3 3.439 1.959 0.373 1.00 0.00 H new ATOM 0 HB3 ARG 1 3 4.445 2.817 -0.777 1.00 0.00 H new ATOM 0 HG2 ARG 1 3 4.100 1.018 -2.160 1.00 0.00 H new ATOM 0 HG3 ARG 1 3 5.285 0.194 -1.167 1.00 0.00 H new ATOM 0 HD2 ARG 1 3 3.376 -1.257 -1.143 1.00 0.00 H new ATOM 0 HD3 ARG 1 3 3.324 -0.443 0.408 1.00 0.00 H new ATOM 0 HE ARG 1 3 1.231 0.479 -0.253 1.00 0.00 H new ATOM 0 HH11 ARG 1 3 3.258 -0.351 -2.976 1.00 0.00 H new ATOM 0 HH12 ARG 1 3 2.109 0.247 -4.176 1.00 0.00 H new ATOM 0 HH21 ARG 1 3 -0.208 1.320 -1.786 1.00 0.00 H new ATOM 0 HH22 ARG 1 3 0.162 1.186 -3.508 1.00 0.00 H new ATOM 65 N THR 1 4 7.060 3.651 0.478 1.00 0.00 N ATOM 66 CA THR 1 4 7.576 5.008 0.813 1.00 0.00 C ATOM 67 C THR 1 4 7.574 5.877 -0.445 1.00 0.00 C ATOM 68 O THR 1 4 8.599 6.369 -0.872 1.00 0.00 O ATOM 69 CB THR 1 4 9.005 4.896 1.350 1.00 0.00 C ATOM 70 OG1 THR 1 4 9.854 5.774 0.623 1.00 0.00 O ATOM 71 CG2 THR 1 4 9.499 3.457 1.192 1.00 0.00 C ATOM 0 H THR 1 4 7.547 3.175 -0.282 1.00 0.00 H new ATOM 0 HA THR 1 4 6.938 5.461 1.572 1.00 0.00 H new ATOM 0 HB THR 1 4 9.020 5.169 2.405 1.00 0.00 H new ATOM 0 HG1 THR 1 4 9.687 5.670 -0.337 1.00 0.00 H new ATOM 0 HG21 THR 1 4 10.517 3.378 1.574 1.00 0.00 H new ATOM 0 HG22 THR 1 4 8.848 2.785 1.751 1.00 0.00 H new ATOM 0 HG23 THR 1 4 9.485 3.181 0.138 1.00 0.00 H new ATOM 79 N ARG 1 5 6.432 6.070 -1.045 1.00 0.00 N ATOM 80 CA ARG 1 5 6.375 6.905 -2.278 1.00 0.00 C ATOM 81 C ARG 1 5 7.286 8.121 -2.115 1.00 0.00 C ATOM 82 O ARG 1 5 6.938 9.089 -1.468 1.00 0.00 O ATOM 83 CB ARG 1 5 4.940 7.375 -2.520 1.00 0.00 C ATOM 84 CG ARG 1 5 4.271 6.446 -3.534 1.00 0.00 C ATOM 85 CD ARG 1 5 2.794 6.819 -3.666 1.00 0.00 C ATOM 86 NE ARG 1 5 2.133 5.892 -4.627 1.00 0.00 N ATOM 87 CZ ARG 1 5 0.875 6.061 -4.937 1.00 0.00 C ATOM 88 NH1 ARG 1 5 0.198 7.043 -4.407 1.00 0.00 N ATOM 89 NH2 ARG 1 5 0.297 5.248 -5.778 1.00 0.00 N ATOM 0 H ARG 1 5 5.538 5.687 -0.736 1.00 0.00 H new ATOM 0 HA ARG 1 5 6.708 6.310 -3.128 1.00 0.00 H new ATOM 0 HB2 ARG 1 5 4.381 7.374 -1.584 1.00 0.00 H new ATOM 0 HB3 ARG 1 5 4.938 8.400 -2.891 1.00 0.00 H new ATOM 0 HG2 ARG 1 5 4.766 6.528 -4.501 1.00 0.00 H new ATOM 0 HG3 ARG 1 5 4.368 5.409 -3.213 1.00 0.00 H new ATOM 0 HD2 ARG 1 5 2.305 6.762 -2.694 1.00 0.00 H new ATOM 0 HD3 ARG 1 5 2.697 7.848 -4.011 1.00 0.00 H new ATOM 0 HE ARG 1 5 2.662 5.126 -5.043 1.00 0.00 H new ATOM 0 HH11 ARG 1 5 0.651 7.679 -3.751 1.00 0.00 H new ATOM 0 HH12 ARG 1 5 -0.784 7.175 -4.649 1.00 0.00 H new ATOM 0 HH21 ARG 1 5 0.827 4.482 -6.193 1.00 0.00 H new ATOM 0 HH22 ARG 1 5 -0.685 5.379 -6.021 1.00 0.00 H new ATOM 103 N GLY 1 6 8.455 8.079 -2.697 1.00 0.00 N ATOM 104 CA GLY 1 6 9.394 9.230 -2.572 1.00 0.00 C ATOM 105 C GLY 1 6 9.557 9.595 -1.097 1.00 0.00 C ATOM 106 O GLY 1 6 10.494 9.175 -0.446 1.00 0.00 O ATOM 0 H GLY 1 6 8.800 7.297 -3.254 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.361 8.973 -3.003 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 9.014 10.086 -3.130 1.00 0.00 H new ATOM 110 N LYS 1 7 8.658 10.374 -0.561 1.00 0.00 N ATOM 111 CA LYS 1 7 8.771 10.751 0.875 1.00 0.00 C ATOM 112 C LYS 1 7 7.566 10.196 1.638 1.00 0.00 C ATOM 113 O LYS 1 7 7.677 9.776 2.772 1.00 0.00 O ATOM 114 CB LYS 1 7 8.801 12.278 1.008 1.00 0.00 C ATOM 115 CG LYS 1 7 9.566 12.886 -0.170 1.00 0.00 C ATOM 116 CD LYS 1 7 9.882 14.355 0.128 1.00 0.00 C ATOM 117 CE LYS 1 7 10.400 15.038 -1.140 1.00 0.00 C ATOM 118 NZ LYS 1 7 11.273 16.185 -0.766 1.00 0.00 N ATOM 0 H LYS 1 7 7.854 10.764 -1.053 1.00 0.00 H new ATOM 0 HA LYS 1 7 9.691 10.337 1.288 1.00 0.00 H new ATOM 0 HB2 LYS 1 7 7.784 12.670 1.034 1.00 0.00 H new ATOM 0 HB3 LYS 1 7 9.276 12.561 1.947 1.00 0.00 H new ATOM 0 HG2 LYS 1 7 10.489 12.332 -0.342 1.00 0.00 H new ATOM 0 HG3 LYS 1 7 8.973 12.808 -1.081 1.00 0.00 H new ATOM 0 HD2 LYS 1 7 8.988 14.864 0.487 1.00 0.00 H new ATOM 0 HD3 LYS 1 7 10.628 14.423 0.920 1.00 0.00 H new ATOM 0 HE2 LYS 1 7 10.958 14.325 -1.747 1.00 0.00 H new ATOM 0 HE3 LYS 1 7 9.563 15.386 -1.746 1.00 0.00 H new ATOM 0 HZ1 LYS 1 7 11.625 16.649 -1.628 1.00 0.00 H new ATOM 0 HZ2 LYS 1 7 10.727 16.868 -0.203 1.00 0.00 H new ATOM 0 HZ3 LYS 1 7 12.078 15.840 -0.205 1.00 0.00 H new ATOM 132 N ARG 1 8 6.411 10.178 1.023 1.00 0.00 N ATOM 133 CA ARG 1 8 5.208 9.641 1.719 1.00 0.00 C ATOM 134 C ARG 1 8 5.496 8.233 2.248 1.00 0.00 C ATOM 135 O ARG 1 8 6.452 7.593 1.853 1.00 0.00 O ATOM 136 CB ARG 1 8 4.038 9.593 0.735 1.00 0.00 C ATOM 137 CG ARG 1 8 3.580 11.019 0.429 1.00 0.00 C ATOM 138 CD ARG 1 8 2.222 11.269 1.084 1.00 0.00 C ATOM 139 NE ARG 1 8 1.780 12.660 0.794 1.00 0.00 N ATOM 140 CZ ARG 1 8 1.454 12.995 -0.423 1.00 0.00 C ATOM 141 NH1 ARG 1 8 1.517 12.111 -1.381 1.00 0.00 N ATOM 142 NH2 ARG 1 8 1.073 14.214 -0.685 1.00 0.00 N ATOM 0 H ARG 1 8 6.251 10.511 0.072 1.00 0.00 H new ATOM 0 HA ARG 1 8 4.955 10.289 2.558 1.00 0.00 H new ATOM 0 HB2 ARG 1 8 4.340 9.090 -0.184 1.00 0.00 H new ATOM 0 HB3 ARG 1 8 3.215 9.017 1.158 1.00 0.00 H new ATOM 0 HG2 ARG 1 8 4.313 11.735 0.801 1.00 0.00 H new ATOM 0 HG3 ARG 1 8 3.509 11.166 -0.649 1.00 0.00 H new ATOM 0 HD2 ARG 1 8 1.488 10.557 0.707 1.00 0.00 H new ATOM 0 HD3 ARG 1 8 2.292 11.115 2.161 1.00 0.00 H new ATOM 0 HE ARG 1 8 1.732 13.349 1.545 1.00 0.00 H new ATOM 0 HH11 ARG 1 8 1.821 11.159 -1.177 1.00 0.00 H new ATOM 0 HH12 ARG 1 8 1.262 12.372 -2.333 1.00 0.00 H new ATOM 0 HH21 ARG 1 8 1.030 14.907 0.063 1.00 0.00 H new ATOM 0 HH22 ARG 1 8 0.818 14.475 -1.638 1.00 0.00 H new ATOM 156 N ARG 1 9 4.675 7.744 3.140 1.00 0.00 N ATOM 157 CA ARG 1 9 4.901 6.378 3.687 1.00 0.00 C ATOM 158 C ARG 1 9 3.561 5.670 3.883 1.00 0.00 C ATOM 159 O ARG 1 9 2.888 5.857 4.880 1.00 0.00 O ATOM 160 CB ARG 1 9 5.614 6.479 5.036 1.00 0.00 C ATOM 161 CG ARG 1 9 7.127 6.543 4.805 1.00 0.00 C ATOM 162 CD ARG 1 9 7.732 5.146 4.934 1.00 0.00 C ATOM 163 NE ARG 1 9 7.605 4.680 6.344 1.00 0.00 N ATOM 164 CZ ARG 1 9 8.464 5.077 7.244 1.00 0.00 C ATOM 165 NH1 ARG 1 9 9.431 5.886 6.912 1.00 0.00 N ATOM 166 NH2 ARG 1 9 8.354 4.663 8.477 1.00 0.00 N ATOM 0 H ARG 1 9 3.860 8.232 3.511 1.00 0.00 H new ATOM 0 HA ARG 1 9 5.514 5.811 2.986 1.00 0.00 H new ATOM 0 HB2 ARG 1 9 5.278 7.367 5.572 1.00 0.00 H new ATOM 0 HB3 ARG 1 9 5.365 5.618 5.657 1.00 0.00 H new ATOM 0 HG2 ARG 1 9 7.336 6.949 3.815 1.00 0.00 H new ATOM 0 HG3 ARG 1 9 7.586 7.216 5.529 1.00 0.00 H new ATOM 0 HD2 ARG 1 9 7.223 4.454 4.263 1.00 0.00 H new ATOM 0 HD3 ARG 1 9 8.781 5.163 4.638 1.00 0.00 H new ATOM 0 HE ARG 1 9 6.847 4.050 6.606 1.00 0.00 H new ATOM 0 HH11 ARG 1 9 9.517 6.210 5.949 1.00 0.00 H new ATOM 0 HH12 ARG 1 9 10.101 6.195 7.616 1.00 0.00 H new ATOM 0 HH21 ARG 1 9 7.598 4.030 8.737 1.00 0.00 H new ATOM 0 HH22 ARG 1 9 9.024 4.973 9.181 1.00 0.00 H new ATOM 180 N ILE 1 10 3.167 4.853 2.947 1.00 0.00 N ATOM 181 CA ILE 1 10 1.880 4.119 3.098 1.00 0.00 C ATOM 182 C ILE 1 10 2.137 2.778 3.792 1.00 0.00 C ATOM 183 O ILE 1 10 3.149 2.139 3.571 1.00 0.00 O ATOM 184 CB ILE 1 10 1.260 3.889 1.717 1.00 0.00 C ATOM 185 CG1 ILE 1 10 1.576 5.085 0.818 1.00 0.00 C ATOM 186 CG2 ILE 1 10 -0.256 3.755 1.856 1.00 0.00 C ATOM 187 CD1 ILE 1 10 1.195 6.383 1.539 1.00 0.00 C ATOM 0 H ILE 1 10 3.679 4.662 2.086 1.00 0.00 H new ATOM 0 HA ILE 1 10 1.190 4.706 3.704 1.00 0.00 H new ATOM 0 HB ILE 1 10 1.670 2.978 1.280 1.00 0.00 H new ATOM 0 HG12 ILE 1 10 2.637 5.094 0.567 1.00 0.00 H new ATOM 0 HG13 ILE 1 10 1.027 5.003 -0.120 1.00 0.00 H new ATOM 0 HG21 ILE 1 10 -0.698 3.591 0.873 1.00 0.00 H new ATOM 0 HG22 ILE 1 10 -0.489 2.910 2.504 1.00 0.00 H new ATOM 0 HG23 ILE 1 10 -0.664 4.668 2.290 1.00 0.00 H new ATOM 0 HD11 ILE 1 10 1.420 7.235 0.898 1.00 0.00 H new ATOM 0 HD12 ILE 1 10 0.129 6.373 1.768 1.00 0.00 H new ATOM 0 HD13 ILE 1 10 1.764 6.465 2.465 1.00 0.00 H new ATOM 199 N ARG 1 11 1.240 2.352 4.638 1.00 0.00 N ATOM 200 CA ARG 1 11 1.444 1.056 5.347 1.00 0.00 C ATOM 201 C ARG 1 11 0.189 0.179 5.213 1.00 0.00 C ATOM 202 O ARG 1 11 -0.907 0.587 5.551 1.00 0.00 O ATOM 203 CB ARG 1 11 1.708 1.333 6.831 1.00 0.00 C ATOM 204 CG ARG 1 11 1.276 2.762 7.180 1.00 0.00 C ATOM 205 CD ARG 1 11 1.680 3.086 8.622 1.00 0.00 C ATOM 206 NE ARG 1 11 2.823 4.041 8.619 1.00 0.00 N ATOM 207 CZ ARG 1 11 3.258 4.546 9.743 1.00 0.00 C ATOM 208 NH1 ARG 1 11 2.688 4.222 10.869 1.00 0.00 N ATOM 209 NH2 ARG 1 11 4.261 5.382 9.738 1.00 0.00 N ATOM 0 H ARG 1 11 0.377 2.843 4.869 1.00 0.00 H new ATOM 0 HA ARG 1 11 2.294 0.535 4.906 1.00 0.00 H new ATOM 0 HB2 ARG 1 11 1.162 0.618 7.446 1.00 0.00 H new ATOM 0 HB3 ARG 1 11 2.767 1.200 7.052 1.00 0.00 H new ATOM 0 HG2 ARG 1 11 1.741 3.470 6.494 1.00 0.00 H new ATOM 0 HG3 ARG 1 11 0.197 2.865 7.062 1.00 0.00 H new ATOM 0 HD2 ARG 1 11 0.835 3.517 9.159 1.00 0.00 H new ATOM 0 HD3 ARG 1 11 1.958 2.172 9.146 1.00 0.00 H new ATOM 0 HE ARG 1 11 3.267 4.301 7.738 1.00 0.00 H new ATOM 0 HH11 ARG 1 11 1.901 3.573 10.874 1.00 0.00 H new ATOM 0 HH12 ARG 1 11 3.029 4.617 11.745 1.00 0.00 H new ATOM 0 HH21 ARG 1 11 4.705 5.641 8.857 1.00 0.00 H new ATOM 0 HH22 ARG 1 11 4.601 5.776 10.615 1.00 0.00 H new ATOM 223 N VAL 1 12 0.346 -1.025 4.733 1.00 0.00 N ATOM 224 CA VAL 1 12 -0.821 -1.945 4.586 1.00 0.00 C ATOM 225 C VAL 1 12 -0.349 -3.364 4.923 1.00 0.00 C ATOM 226 O VAL 1 12 0.300 -4.017 4.127 1.00 0.00 O ATOM 227 CB VAL 1 12 -1.346 -1.879 3.143 1.00 0.00 C ATOM 228 CG1 VAL 1 12 -0.197 -1.574 2.177 1.00 0.00 C ATOM 229 CG2 VAL 1 12 -1.965 -3.228 2.766 1.00 0.00 C ATOM 0 H VAL 1 12 1.240 -1.415 4.434 1.00 0.00 H new ATOM 0 HA VAL 1 12 -1.630 -1.657 5.257 1.00 0.00 H new ATOM 0 HB VAL 1 12 -2.095 -1.090 3.075 1.00 0.00 H new ATOM 0 HG11 VAL 1 12 -0.581 -1.530 1.158 1.00 0.00 H new ATOM 0 HG12 VAL 1 12 0.253 -0.616 2.437 1.00 0.00 H new ATOM 0 HG13 VAL 1 12 0.556 -2.359 2.247 1.00 0.00 H new ATOM 0 HG21 VAL 1 12 -2.338 -3.184 1.743 1.00 0.00 H new ATOM 0 HG22 VAL 1 12 -1.209 -4.009 2.843 1.00 0.00 H new ATOM 0 HG23 VAL 1 12 -2.789 -3.452 3.443 1.00 0.00 H new ATOM 239 N PRO 1 13 -0.641 -3.818 6.117 1.00 0.00 N ATOM 240 CA PRO 1 13 -0.164 -5.134 6.611 1.00 0.00 C ATOM 241 C PRO 1 13 1.297 -5.047 7.021 1.00 0.00 C ATOM 242 O PRO 1 13 1.690 -4.194 7.798 1.00 0.00 O ATOM 243 CB PRO 1 13 -1.046 -5.451 7.822 1.00 0.00 C ATOM 244 CG PRO 1 13 -1.542 -4.134 8.327 1.00 0.00 C ATOM 245 CD PRO 1 13 -1.489 -3.150 7.156 1.00 0.00 C ATOM 0 HA PRO 1 13 -0.231 -5.908 5.846 1.00 0.00 H new ATOM 0 HB2 PRO 1 13 -1.876 -6.099 7.541 1.00 0.00 H new ATOM 0 HB3 PRO 1 13 -0.479 -5.975 8.591 1.00 0.00 H new ATOM 0 HG2 PRO 1 13 -2.560 -4.226 8.706 1.00 0.00 H new ATOM 0 HG3 PRO 1 13 -0.925 -3.782 9.153 1.00 0.00 H new ATOM 0 HD2 PRO 1 13 -2.488 -2.940 6.773 1.00 0.00 H new ATOM 0 HD3 PRO 1 13 -1.058 -2.197 7.462 1.00 0.00 H new ATOM 253 N PRO 1 14 2.096 -5.912 6.475 1.00 0.00 N ATOM 254 CA PRO 1 14 3.548 -5.956 6.745 1.00 0.00 C ATOM 255 C PRO 1 14 4.325 -5.164 5.687 1.00 0.00 C ATOM 256 O PRO 1 14 5.499 -5.385 5.461 1.00 0.00 O ATOM 257 CB PRO 1 14 3.857 -7.450 6.661 1.00 0.00 C ATOM 258 CG PRO 1 14 2.914 -7.998 5.630 1.00 0.00 C ATOM 259 CD PRO 1 14 1.732 -7.027 5.531 1.00 0.00 C ATOM 0 HA PRO 1 14 3.830 -5.512 7.700 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 4.895 -7.620 6.374 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 3.709 -7.936 7.625 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 3.413 -8.095 4.666 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 2.571 -8.993 5.913 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 1.601 -6.661 4.513 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 0.797 -7.506 5.821 1.00 0.00 H new