USER MOD reduce.3.24.130724 H: found=0, std=0, add=144, rem=0, adj=1 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= -0.0257 (180deg=-0.0257) USER MOD Single : 1 4 THR OG1 : rot 73:sc= 0.851 USER MOD Single : 1 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG 1 1 4.797 -4.664 5.365 1.00 0.00 N ATOM 2 CA ARG 1 1 5.352 -4.424 4.000 1.00 0.00 C ATOM 3 C ARG 1 1 5.600 -2.929 3.803 1.00 0.00 C ATOM 4 O ARG 1 1 4.678 -2.137 3.746 1.00 0.00 O ATOM 5 CB ARG 1 1 4.349 -4.902 2.944 1.00 0.00 C ATOM 6 CG ARG 1 1 3.187 -3.913 2.850 1.00 0.00 C ATOM 7 CD ARG 1 1 1.919 -4.653 2.422 1.00 0.00 C ATOM 8 NE ARG 1 1 1.937 -4.854 0.945 1.00 0.00 N ATOM 9 CZ ARG 1 1 0.858 -5.253 0.329 1.00 0.00 C ATOM 10 NH1 ARG 1 1 -0.267 -5.352 0.983 1.00 0.00 N ATOM 11 NH2 ARG 1 1 0.902 -5.546 -0.942 1.00 0.00 N ATOM 0 H3 ARG 1 1 4.629 -5.682 5.497 1.00 0.00 H new ATOM 0 HA ARG 1 1 6.288 -4.972 3.895 1.00 0.00 H new ATOM 0 HB2 ARG 1 1 4.841 -4.992 1.976 1.00 0.00 H new ATOM 0 HB3 ARG 1 1 3.976 -5.892 3.205 1.00 0.00 H new ATOM 0 HG2 ARG 1 1 3.030 -3.428 3.813 1.00 0.00 H new ATOM 0 HG3 ARG 1 1 3.422 -3.127 2.132 1.00 0.00 H new ATOM 0 HD2 ARG 1 1 1.857 -5.615 2.930 1.00 0.00 H new ATOM 0 HD3 ARG 1 1 1.037 -4.082 2.712 1.00 0.00 H new ATOM 0 HE ARG 1 1 2.792 -4.680 0.416 1.00 0.00 H new ATOM 0 HH11 ARG 1 1 -0.303 -5.118 1.975 1.00 0.00 H new ATOM 0 HH12 ARG 1 1 -1.111 -5.664 0.502 1.00 0.00 H new ATOM 0 HH21 ARG 1 1 1.780 -5.463 -1.454 1.00 0.00 H new ATOM 0 HH22 ARG 1 1 0.058 -5.858 -1.423 1.00 0.00 H new ATOM 25 N VAL 1 2 6.838 -2.537 3.684 1.00 0.00 N ATOM 26 CA VAL 1 2 7.148 -1.097 3.473 1.00 0.00 C ATOM 27 C VAL 1 2 6.794 -0.722 2.034 1.00 0.00 C ATOM 28 O VAL 1 2 7.119 -1.429 1.101 1.00 0.00 O ATOM 29 CB VAL 1 2 8.638 -0.851 3.711 1.00 0.00 C ATOM 30 CG1 VAL 1 2 9.064 0.433 2.998 1.00 0.00 C ATOM 31 CG2 VAL 1 2 8.901 -0.711 5.213 1.00 0.00 C ATOM 0 H VAL 1 2 7.649 -3.154 3.724 1.00 0.00 H new ATOM 0 HA VAL 1 2 6.570 -0.490 4.169 1.00 0.00 H new ATOM 0 HB VAL 1 2 9.210 -1.692 3.319 1.00 0.00 H new ATOM 0 HG11 VAL 1 2 10.126 0.608 3.168 1.00 0.00 H new ATOM 0 HG12 VAL 1 2 8.879 0.334 1.928 1.00 0.00 H new ATOM 0 HG13 VAL 1 2 8.491 1.274 3.389 1.00 0.00 H new ATOM 0 HG21 VAL 1 2 9.964 -0.536 5.382 1.00 0.00 H new ATOM 0 HG22 VAL 1 2 8.328 0.129 5.606 1.00 0.00 H new ATOM 0 HG23 VAL 1 2 8.599 -1.626 5.722 1.00 0.00 H new ATOM 41 N ARG 1 3 6.125 0.382 1.841 1.00 0.00 N ATOM 42 CA ARG 1 3 5.747 0.785 0.457 1.00 0.00 C ATOM 43 C ARG 1 3 5.787 2.309 0.347 1.00 0.00 C ATOM 44 O ARG 1 3 4.831 2.937 -0.064 1.00 0.00 O ATOM 45 CB ARG 1 3 4.332 0.288 0.145 1.00 0.00 C ATOM 46 CG ARG 1 3 4.225 -0.066 -1.342 1.00 0.00 C ATOM 47 CD ARG 1 3 2.963 -0.896 -1.580 1.00 0.00 C ATOM 48 NE ARG 1 3 1.784 0.012 -1.667 1.00 0.00 N ATOM 49 CZ ARG 1 3 1.394 0.462 -2.827 1.00 0.00 C ATOM 50 NH1 ARG 1 3 2.087 0.188 -3.900 1.00 0.00 N ATOM 51 NH2 ARG 1 3 0.316 1.192 -2.915 1.00 0.00 N ATOM 0 H ARG 1 3 5.825 1.020 2.578 1.00 0.00 H new ATOM 0 HA ARG 1 3 6.448 0.347 -0.254 1.00 0.00 H new ATOM 0 HB2 ARG 1 3 4.100 -0.586 0.754 1.00 0.00 H new ATOM 0 HB3 ARG 1 3 3.602 1.056 0.399 1.00 0.00 H new ATOM 0 HG2 ARG 1 3 4.193 0.844 -1.942 1.00 0.00 H new ATOM 0 HG3 ARG 1 3 5.106 -0.625 -1.658 1.00 0.00 H new ATOM 0 HD2 ARG 1 3 3.061 -1.472 -2.500 1.00 0.00 H new ATOM 0 HD3 ARG 1 3 2.826 -1.611 -0.769 1.00 0.00 H new ATOM 0 HE ARG 1 3 1.283 0.281 -0.820 1.00 0.00 H new ATOM 0 HH11 ARG 1 3 2.933 -0.378 -3.830 1.00 0.00 H new ATOM 0 HH12 ARG 1 3 1.782 0.540 -4.808 1.00 0.00 H new ATOM 0 HH21 ARG 1 3 -0.222 1.411 -2.076 1.00 0.00 H new ATOM 0 HH22 ARG 1 3 0.011 1.544 -3.823 1.00 0.00 H new ATOM 65 N THR 1 4 6.887 2.911 0.710 1.00 0.00 N ATOM 66 CA THR 1 4 6.983 4.395 0.627 1.00 0.00 C ATOM 67 C THR 1 4 6.583 4.853 -0.776 1.00 0.00 C ATOM 68 O THR 1 4 6.895 4.212 -1.760 1.00 0.00 O ATOM 69 CB THR 1 4 8.421 4.834 0.914 1.00 0.00 C ATOM 70 OG1 THR 1 4 8.542 6.232 0.689 1.00 0.00 O ATOM 71 CG2 THR 1 4 9.379 4.082 -0.011 1.00 0.00 C ATOM 0 H THR 1 4 7.721 2.440 1.060 1.00 0.00 H new ATOM 0 HA THR 1 4 6.314 4.842 1.362 1.00 0.00 H new ATOM 0 HB THR 1 4 8.670 4.610 1.951 1.00 0.00 H new ATOM 0 HG1 THR 1 4 8.096 6.720 1.412 1.00 0.00 H new ATOM 0 HG21 THR 1 4 10.403 4.395 0.194 1.00 0.00 H new ATOM 0 HG22 THR 1 4 9.286 3.010 0.162 1.00 0.00 H new ATOM 0 HG23 THR 1 4 9.132 4.305 -1.049 1.00 0.00 H new ATOM 79 N ARG 1 5 5.890 5.955 -0.880 1.00 0.00 N ATOM 80 CA ARG 1 5 5.477 6.446 -2.224 1.00 0.00 C ATOM 81 C ARG 1 5 6.618 7.252 -2.847 1.00 0.00 C ATOM 82 O ARG 1 5 6.409 8.057 -3.733 1.00 0.00 O ATOM 83 CB ARG 1 5 4.240 7.334 -2.093 1.00 0.00 C ATOM 84 CG ARG 1 5 3.426 7.257 -3.385 1.00 0.00 C ATOM 85 CD ARG 1 5 2.206 8.172 -3.272 1.00 0.00 C ATOM 86 NE ARG 1 5 1.174 7.747 -4.260 1.00 0.00 N ATOM 87 CZ ARG 1 5 0.013 8.341 -4.286 1.00 0.00 C ATOM 88 NH1 ARG 1 5 -0.247 9.307 -3.448 1.00 0.00 N ATOM 89 NH2 ARG 1 5 -0.890 7.969 -5.152 1.00 0.00 N ATOM 0 H ARG 1 5 5.593 6.534 -0.094 1.00 0.00 H new ATOM 0 HA ARG 1 5 5.243 5.593 -2.861 1.00 0.00 H new ATOM 0 HB2 ARG 1 5 3.633 7.010 -1.247 1.00 0.00 H new ATOM 0 HB3 ARG 1 5 4.537 8.364 -1.897 1.00 0.00 H new ATOM 0 HG2 ARG 1 5 4.041 7.556 -4.234 1.00 0.00 H new ATOM 0 HG3 ARG 1 5 3.109 6.230 -3.567 1.00 0.00 H new ATOM 0 HD2 ARG 1 5 1.798 8.129 -2.262 1.00 0.00 H new ATOM 0 HD3 ARG 1 5 2.496 9.207 -3.455 1.00 0.00 H new ATOM 0 HE ARG 1 5 1.376 6.992 -4.916 1.00 0.00 H new ATOM 0 HH11 ARG 1 5 0.458 9.599 -2.771 1.00 0.00 H new ATOM 0 HH12 ARG 1 5 -1.155 9.770 -3.470 1.00 0.00 H new ATOM 0 HH21 ARG 1 5 -0.688 7.214 -5.808 1.00 0.00 H new ATOM 0 HH22 ARG 1 5 -1.798 8.433 -5.173 1.00 0.00 H new ATOM 103 N GLY 1 6 7.822 7.040 -2.391 1.00 0.00 N ATOM 104 CA GLY 1 6 8.977 7.795 -2.955 1.00 0.00 C ATOM 105 C GLY 1 6 9.313 8.970 -2.037 1.00 0.00 C ATOM 106 O GLY 1 6 10.284 8.939 -1.306 1.00 0.00 O ATOM 0 H GLY 1 6 8.056 6.377 -1.652 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 9.841 7.138 -3.054 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 8.736 8.157 -3.954 1.00 0.00 H new ATOM 110 N LYS 1 7 8.523 10.008 -2.067 1.00 0.00 N ATOM 111 CA LYS 1 7 8.809 11.178 -1.191 1.00 0.00 C ATOM 112 C LYS 1 7 8.003 11.048 0.103 1.00 0.00 C ATOM 113 O LYS 1 7 8.377 11.568 1.135 1.00 0.00 O ATOM 114 CB LYS 1 7 8.416 12.472 -1.911 1.00 0.00 C ATOM 115 CG LYS 1 7 9.465 12.816 -2.972 1.00 0.00 C ATOM 116 CD LYS 1 7 8.823 13.669 -4.069 1.00 0.00 C ATOM 117 CE LYS 1 7 8.371 15.007 -3.479 1.00 0.00 C ATOM 118 NZ LYS 1 7 7.881 15.893 -4.573 1.00 0.00 N ATOM 0 H LYS 1 7 7.696 10.096 -2.657 1.00 0.00 H new ATOM 0 HA LYS 1 7 9.874 11.206 -0.959 1.00 0.00 H new ATOM 0 HB2 LYS 1 7 7.438 12.356 -2.378 1.00 0.00 H new ATOM 0 HB3 LYS 1 7 8.332 13.287 -1.192 1.00 0.00 H new ATOM 0 HG2 LYS 1 7 10.295 13.356 -2.516 1.00 0.00 H new ATOM 0 HG3 LYS 1 7 9.876 11.902 -3.401 1.00 0.00 H new ATOM 0 HD2 LYS 1 7 9.536 13.838 -4.876 1.00 0.00 H new ATOM 0 HD3 LYS 1 7 7.971 13.144 -4.501 1.00 0.00 H new ATOM 0 HE2 LYS 1 7 7.580 14.845 -2.746 1.00 0.00 H new ATOM 0 HE3 LYS 1 7 9.199 15.483 -2.954 1.00 0.00 H new ATOM 0 HZ1 LYS 1 7 7.574 16.802 -4.172 1.00 0.00 H new ATOM 0 HZ2 LYS 1 7 8.648 16.057 -5.256 1.00 0.00 H new ATOM 0 HZ3 LYS 1 7 7.079 15.439 -5.055 1.00 0.00 H new ATOM 132 N ARG 1 8 6.901 10.353 0.056 1.00 0.00 N ATOM 133 CA ARG 1 8 6.072 10.183 1.281 1.00 0.00 C ATOM 134 C ARG 1 8 6.437 8.872 1.982 1.00 0.00 C ATOM 135 O ARG 1 8 7.577 8.446 1.973 1.00 0.00 O ATOM 136 CB ARG 1 8 4.594 10.163 0.888 1.00 0.00 C ATOM 137 CG ARG 1 8 4.122 11.595 0.635 1.00 0.00 C ATOM 138 CD ARG 1 8 2.718 11.779 1.209 1.00 0.00 C ATOM 139 NE ARG 1 8 2.361 13.223 1.192 1.00 0.00 N ATOM 140 CZ ARG 1 8 2.243 13.847 0.052 1.00 0.00 C ATOM 141 NH1 ARG 1 8 2.401 13.195 -1.067 1.00 0.00 N ATOM 142 NH2 ARG 1 8 1.977 15.124 0.032 1.00 0.00 N ATOM 0 H ARG 1 8 6.538 9.895 -0.780 1.00 0.00 H new ATOM 0 HA ARG 1 8 6.260 11.012 1.963 1.00 0.00 H new ATOM 0 HB2 ARG 1 8 4.451 9.557 -0.007 1.00 0.00 H new ATOM 0 HB3 ARG 1 8 4.001 9.706 1.680 1.00 0.00 H new ATOM 0 HG2 ARG 1 8 4.811 12.303 1.097 1.00 0.00 H new ATOM 0 HG3 ARG 1 8 4.119 11.804 -0.435 1.00 0.00 H new ATOM 0 HD2 ARG 1 8 1.997 11.208 0.624 1.00 0.00 H new ATOM 0 HD3 ARG 1 8 2.677 11.395 2.228 1.00 0.00 H new ATOM 0 HE ARG 1 8 2.209 13.723 2.068 1.00 0.00 H new ATOM 0 HH11 ARG 1 8 2.617 12.198 -1.050 1.00 0.00 H new ATOM 0 HH12 ARG 1 8 2.309 13.682 -1.958 1.00 0.00 H new ATOM 0 HH21 ARG 1 8 1.861 15.635 0.907 1.00 0.00 H new ATOM 0 HH22 ARG 1 8 1.885 15.612 -0.859 1.00 0.00 H new ATOM 156 N ARG 1 9 5.478 8.225 2.590 1.00 0.00 N ATOM 157 CA ARG 1 9 5.775 6.951 3.301 1.00 0.00 C ATOM 158 C ARG 1 9 4.472 6.217 3.616 1.00 0.00 C ATOM 159 O ARG 1 9 3.779 6.540 4.562 1.00 0.00 O ATOM 160 CB ARG 1 9 6.507 7.253 4.608 1.00 0.00 C ATOM 161 CG ARG 1 9 6.631 5.965 5.428 1.00 0.00 C ATOM 162 CD ARG 1 9 7.288 6.269 6.775 1.00 0.00 C ATOM 163 NE ARG 1 9 7.945 5.036 7.294 1.00 0.00 N ATOM 164 CZ ARG 1 9 7.261 4.176 7.999 1.00 0.00 C ATOM 165 NH1 ARG 1 9 5.997 4.389 8.242 1.00 0.00 N ATOM 166 NH2 ARG 1 9 7.842 3.103 8.460 1.00 0.00 N ATOM 0 H ARG 1 9 4.504 8.525 2.624 1.00 0.00 H new ATOM 0 HA ARG 1 9 6.400 6.326 2.664 1.00 0.00 H new ATOM 0 HB2 ARG 1 9 7.496 7.661 4.399 1.00 0.00 H new ATOM 0 HB3 ARG 1 9 5.964 8.009 5.176 1.00 0.00 H new ATOM 0 HG2 ARG 1 9 5.645 5.527 5.585 1.00 0.00 H new ATOM 0 HG3 ARG 1 9 7.223 5.231 4.882 1.00 0.00 H new ATOM 0 HD2 ARG 1 9 8.023 7.066 6.662 1.00 0.00 H new ATOM 0 HD3 ARG 1 9 6.541 6.623 7.485 1.00 0.00 H new ATOM 0 HE ARG 1 9 8.931 4.864 7.098 1.00 0.00 H new ATOM 0 HH11 ARG 1 9 5.543 5.228 7.881 1.00 0.00 H new ATOM 0 HH12 ARG 1 9 5.463 3.717 8.793 1.00 0.00 H new ATOM 0 HH21 ARG 1 9 8.830 2.936 8.270 1.00 0.00 H new ATOM 0 HH22 ARG 1 9 7.308 2.431 9.011 1.00 0.00 H new ATOM 180 N ILE 1 10 4.134 5.227 2.837 1.00 0.00 N ATOM 181 CA ILE 1 10 2.861 4.493 3.085 1.00 0.00 C ATOM 182 C ILE 1 10 3.178 3.101 3.643 1.00 0.00 C ATOM 183 O ILE 1 10 4.143 2.473 3.255 1.00 0.00 O ATOM 184 CB ILE 1 10 2.080 4.370 1.774 1.00 0.00 C ATOM 185 CG1 ILE 1 10 1.046 5.496 1.697 1.00 0.00 C ATOM 186 CG2 ILE 1 10 1.357 3.024 1.737 1.00 0.00 C ATOM 187 CD1 ILE 1 10 1.761 6.833 1.479 1.00 0.00 C ATOM 0 H ILE 1 10 4.681 4.895 2.043 1.00 0.00 H new ATOM 0 HA ILE 1 10 2.255 5.038 3.809 1.00 0.00 H new ATOM 0 HB ILE 1 10 2.768 4.440 0.931 1.00 0.00 H new ATOM 0 HG12 ILE 1 10 0.348 5.308 0.881 1.00 0.00 H new ATOM 0 HG13 ILE 1 10 0.461 5.530 2.616 1.00 0.00 H new ATOM 0 HG21 ILE 1 10 0.801 2.935 0.804 1.00 0.00 H new ATOM 0 HG22 ILE 1 10 2.087 2.217 1.802 1.00 0.00 H new ATOM 0 HG23 ILE 1 10 0.667 2.958 2.578 1.00 0.00 H new ATOM 0 HD11 ILE 1 10 1.025 7.635 1.424 1.00 0.00 H new ATOM 0 HD12 ILE 1 10 2.441 7.021 2.309 1.00 0.00 H new ATOM 0 HD13 ILE 1 10 2.327 6.796 0.548 1.00 0.00 H new ATOM 199 N ARG 1 11 2.382 2.620 4.559 1.00 0.00 N ATOM 200 CA ARG 1 11 2.643 1.271 5.137 1.00 0.00 C ATOM 201 C ARG 1 11 1.360 0.426 5.101 1.00 0.00 C ATOM 202 O ARG 1 11 0.260 0.944 5.135 1.00 0.00 O ATOM 203 CB ARG 1 11 3.101 1.429 6.590 1.00 0.00 C ATOM 204 CG ARG 1 11 4.207 2.487 6.677 1.00 0.00 C ATOM 205 CD ARG 1 11 5.522 1.906 6.148 1.00 0.00 C ATOM 206 NE ARG 1 11 5.869 2.553 4.850 1.00 0.00 N ATOM 207 CZ ARG 1 11 7.120 2.740 4.527 1.00 0.00 C ATOM 208 NH1 ARG 1 11 8.069 2.373 5.343 1.00 0.00 N ATOM 209 NH2 ARG 1 11 7.422 3.302 3.387 1.00 0.00 N ATOM 0 H ARG 1 11 1.564 3.102 4.931 1.00 0.00 H new ATOM 0 HA ARG 1 11 3.416 0.773 4.552 1.00 0.00 H new ATOM 0 HB2 ARG 1 11 2.258 1.720 7.217 1.00 0.00 H new ATOM 0 HB3 ARG 1 11 3.467 0.476 6.971 1.00 0.00 H new ATOM 0 HG2 ARG 1 11 3.928 3.367 6.097 1.00 0.00 H new ATOM 0 HG3 ARG 1 11 4.332 2.812 7.710 1.00 0.00 H new ATOM 0 HD2 ARG 1 11 6.320 2.069 6.872 1.00 0.00 H new ATOM 0 HD3 ARG 1 11 5.428 0.828 6.015 1.00 0.00 H new ATOM 0 HE ARG 1 11 5.129 2.850 4.214 1.00 0.00 H new ATOM 0 HH11 ARG 1 11 7.834 1.939 6.236 1.00 0.00 H new ATOM 0 HH12 ARG 1 11 9.046 2.520 5.088 1.00 0.00 H new ATOM 0 HH21 ARG 1 11 6.681 3.594 2.750 1.00 0.00 H new ATOM 0 HH22 ARG 1 11 8.399 3.449 3.134 1.00 0.00 H new ATOM 223 N VAL 1 12 1.499 -0.872 5.043 1.00 0.00 N ATOM 224 CA VAL 1 12 0.301 -1.765 5.039 1.00 0.00 C ATOM 225 C VAL 1 12 0.726 -3.126 5.601 1.00 0.00 C ATOM 226 O VAL 1 12 1.138 -4.008 4.872 1.00 0.00 O ATOM 227 CB VAL 1 12 -0.219 -1.914 3.600 1.00 0.00 C ATOM 228 CG1 VAL 1 12 -1.421 -0.994 3.375 1.00 0.00 C ATOM 229 CG2 VAL 1 12 0.891 -1.528 2.618 1.00 0.00 C ATOM 0 H VAL 1 12 2.396 -1.356 4.998 1.00 0.00 H new ATOM 0 HA VAL 1 12 -0.499 -1.347 5.651 1.00 0.00 H new ATOM 0 HB VAL 1 12 -0.521 -2.949 3.439 1.00 0.00 H new ATOM 0 HG11 VAL 1 12 -1.780 -1.108 2.352 1.00 0.00 H new ATOM 0 HG12 VAL 1 12 -2.217 -1.259 4.071 1.00 0.00 H new ATOM 0 HG13 VAL 1 12 -1.123 0.041 3.541 1.00 0.00 H new ATOM 0 HG21 VAL 1 12 0.526 -1.633 1.596 1.00 0.00 H new ATOM 0 HG22 VAL 1 12 1.188 -0.494 2.793 1.00 0.00 H new ATOM 0 HG23 VAL 1 12 1.750 -2.182 2.765 1.00 0.00 H new ATOM 239 N PRO 1 13 0.661 -3.275 6.901 1.00 0.00 N ATOM 240 CA PRO 1 13 1.149 -4.497 7.591 1.00 0.00 C ATOM 241 C PRO 1 13 2.657 -4.432 7.777 1.00 0.00 C ATOM 242 O PRO 1 13 3.209 -3.409 8.147 1.00 0.00 O ATOM 243 CB PRO 1 13 0.439 -4.501 8.948 1.00 0.00 C ATOM 244 CG PRO 1 13 -0.388 -3.255 8.985 1.00 0.00 C ATOM 245 CD PRO 1 13 0.119 -2.342 7.867 1.00 0.00 C ATOM 0 HA PRO 1 13 0.940 -5.402 7.020 1.00 0.00 H new ATOM 0 HB2 PRO 1 13 -0.186 -5.387 9.059 1.00 0.00 H new ATOM 0 HB3 PRO 1 13 1.160 -4.515 9.765 1.00 0.00 H new ATOM 0 HG2 PRO 1 13 -1.443 -3.489 8.842 1.00 0.00 H new ATOM 0 HG3 PRO 1 13 -0.299 -2.763 9.954 1.00 0.00 H new ATOM 0 HD2 PRO 1 13 -0.685 -1.742 7.441 1.00 0.00 H new ATOM 0 HD3 PRO 1 13 0.878 -1.648 8.227 1.00 0.00 H new ATOM 253 N PRO 1 14 3.314 -5.514 7.495 1.00 0.00 N ATOM 254 CA PRO 1 14 4.785 -5.618 7.592 1.00 0.00 C ATOM 255 C PRO 1 14 5.440 -5.418 6.221 1.00 0.00 C ATOM 256 O PRO 1 14 6.503 -5.935 5.940 1.00 0.00 O ATOM 257 CB PRO 1 14 4.986 -7.044 8.101 1.00 0.00 C ATOM 258 CG PRO 1 14 3.848 -7.837 7.529 1.00 0.00 C ATOM 259 CD PRO 1 14 2.781 -6.840 7.065 1.00 0.00 C ATOM 0 HA PRO 1 14 5.234 -4.863 8.238 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 5.946 -7.445 7.776 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 4.979 -7.077 9.190 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 4.189 -8.450 6.695 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 3.439 -8.516 8.277 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 2.639 -6.882 5.985 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 1.814 -7.049 7.522 1.00 0.00 H new