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+ -151:sc= -0.0762 (180deg=-0.477) USER MOD Single : 1 4 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG 1 1 3.240 -4.436 5.255 1.00 0.00 N ATOM 2 CA ARG 1 1 3.986 -3.882 4.086 1.00 0.00 C ATOM 3 C ARG 1 1 4.461 -2.464 4.407 1.00 0.00 C ATOM 4 O ARG 1 1 4.050 -1.867 5.383 1.00 0.00 O ATOM 5 CB ARG 1 1 3.066 -3.828 2.863 1.00 0.00 C ATOM 6 CG ARG 1 1 2.703 -5.248 2.427 1.00 0.00 C ATOM 7 CD ARG 1 1 1.196 -5.340 2.183 1.00 0.00 C ATOM 8 NE ARG 1 1 0.939 -5.502 0.723 1.00 0.00 N ATOM 9 CZ ARG 1 1 -0.269 -5.752 0.298 1.00 0.00 C ATOM 10 NH1 ARG 1 1 -1.268 -5.754 1.138 1.00 0.00 N ATOM 11 NH2 ARG 1 1 -0.480 -5.995 -0.967 1.00 0.00 N ATOM 0 H3 ARG 1 1 3.342 -5.471 5.273 1.00 0.00 H new ATOM 0 HA ARG 1 1 4.842 -4.523 3.876 1.00 0.00 H new ATOM 0 HB2 ARG 1 1 2.162 -3.268 3.101 1.00 0.00 H new ATOM 0 HB3 ARG 1 1 3.561 -3.302 2.047 1.00 0.00 H new ATOM 0 HG2 ARG 1 1 3.245 -5.510 1.519 1.00 0.00 H new ATOM 0 HG3 ARG 1 1 3.002 -5.962 3.194 1.00 0.00 H new ATOM 0 HD2 ARG 1 1 0.778 -6.184 2.733 1.00 0.00 H new ATOM 0 HD3 ARG 1 1 0.701 -4.442 2.553 1.00 0.00 H new ATOM 0 HE ARG 1 1 1.707 -5.417 0.057 1.00 0.00 H new ATOM 0 HH11 ARG 1 1 -1.104 -5.560 2.126 1.00 0.00 H new ATOM 0 HH12 ARG 1 1 -2.213 -5.949 0.807 1.00 0.00 H new ATOM 0 HH21 ARG 1 1 0.300 -5.990 -1.624 1.00 0.00 H new ATOM 0 HH22 ARG 1 1 -1.425 -6.190 -1.298 1.00 0.00 H new ATOM 25 N VAL 1 2 5.313 -1.917 3.586 1.00 0.00 N ATOM 26 CA VAL 1 2 5.794 -0.530 3.826 1.00 0.00 C ATOM 27 C VAL 1 2 6.094 0.129 2.479 1.00 0.00 C ATOM 28 O VAL 1 2 7.235 0.356 2.130 1.00 0.00 O ATOM 29 CB VAL 1 2 7.069 -0.565 4.671 1.00 0.00 C ATOM 30 CG1 VAL 1 2 7.259 0.783 5.366 1.00 0.00 C ATOM 31 CG2 VAL 1 2 6.956 -1.671 5.724 1.00 0.00 C ATOM 0 H VAL 1 2 5.697 -2.372 2.758 1.00 0.00 H new ATOM 0 HA VAL 1 2 5.029 0.038 4.356 1.00 0.00 H new ATOM 0 HB VAL 1 2 7.925 -0.765 4.026 1.00 0.00 H new ATOM 0 HG11 VAL 1 2 8.167 0.757 5.968 1.00 0.00 H new ATOM 0 HG12 VAL 1 2 7.342 1.570 4.617 1.00 0.00 H new ATOM 0 HG13 VAL 1 2 6.403 0.984 6.010 1.00 0.00 H new ATOM 0 HG21 VAL 1 2 7.865 -1.695 6.325 1.00 0.00 H new ATOM 0 HG22 VAL 1 2 6.099 -1.474 6.369 1.00 0.00 H new ATOM 0 HG23 VAL 1 2 6.823 -2.633 5.229 1.00 0.00 H new ATOM 41 N ARG 1 3 5.083 0.433 1.713 1.00 0.00 N ATOM 42 CA ARG 1 3 5.326 1.054 0.382 1.00 0.00 C ATOM 43 C ARG 1 3 5.703 2.523 0.570 1.00 0.00 C ATOM 44 O ARG 1 3 4.854 3.393 0.589 1.00 0.00 O ATOM 45 CB ARG 1 3 4.056 0.957 -0.471 1.00 0.00 C ATOM 46 CG ARG 1 3 3.916 -0.461 -1.031 1.00 0.00 C ATOM 47 CD ARG 1 3 2.482 -0.678 -1.517 1.00 0.00 C ATOM 48 NE ARG 1 3 1.531 -0.154 -0.497 1.00 0.00 N ATOM 49 CZ ARG 1 3 1.558 -0.620 0.721 1.00 0.00 C ATOM 50 NH1 ARG 1 3 2.309 -1.649 1.008 1.00 0.00 N ATOM 51 NH2 ARG 1 3 0.832 -0.063 1.650 1.00 0.00 N ATOM 0 H ARG 1 3 4.103 0.279 1.950 1.00 0.00 H new ATOM 0 HA ARG 1 3 6.139 0.529 -0.120 1.00 0.00 H new ATOM 0 HB2 ARG 1 3 3.183 1.208 0.131 1.00 0.00 H new ATOM 0 HB3 ARG 1 3 4.099 1.678 -1.287 1.00 0.00 H new ATOM 0 HG2 ARG 1 3 4.616 -0.610 -1.853 1.00 0.00 H new ATOM 0 HG3 ARG 1 3 4.166 -1.193 -0.263 1.00 0.00 H new ATOM 0 HD2 ARG 1 3 2.328 -0.170 -2.469 1.00 0.00 H new ATOM 0 HD3 ARG 1 3 2.301 -1.739 -1.689 1.00 0.00 H new ATOM 0 HE ARG 1 3 0.858 0.570 -0.751 1.00 0.00 H new ATOM 0 HH11 ARG 1 3 2.873 -2.087 0.280 1.00 0.00 H new ATOM 0 HH12 ARG 1 3 2.331 -2.014 1.960 1.00 0.00 H new ATOM 0 HH21 ARG 1 3 0.242 0.738 1.425 1.00 0.00 H new ATOM 0 HH22 ARG 1 3 0.854 -0.428 2.602 1.00 0.00 H new ATOM 65 N THR 1 4 6.968 2.809 0.709 1.00 0.00 N ATOM 66 CA THR 1 4 7.394 4.223 0.903 1.00 0.00 C ATOM 67 C THR 1 4 6.905 5.067 -0.275 1.00 0.00 C ATOM 68 O THR 1 4 7.173 6.248 -0.357 1.00 0.00 O ATOM 69 CB THR 1 4 8.921 4.295 0.980 1.00 0.00 C ATOM 70 OG1 THR 1 4 9.479 3.804 -0.231 1.00 0.00 O ATOM 71 CG2 THR 1 4 9.413 3.446 2.152 1.00 0.00 C ATOM 0 H THR 1 4 7.725 2.125 0.697 1.00 0.00 H new ATOM 0 HA THR 1 4 6.967 4.605 1.830 1.00 0.00 H new ATOM 0 HB THR 1 4 9.230 5.330 1.128 1.00 0.00 H new ATOM 0 HG1 THR 1 4 10.457 3.851 -0.183 1.00 0.00 H new ATOM 0 HG21 THR 1 4 10.500 3.497 2.207 1.00 0.00 H new ATOM 0 HG22 THR 1 4 8.985 3.824 3.080 1.00 0.00 H new ATOM 0 HG23 THR 1 4 9.105 2.411 2.006 1.00 0.00 H new ATOM 79 N ARG 1 5 6.192 4.470 -1.192 1.00 0.00 N ATOM 80 CA ARG 1 5 5.700 5.245 -2.365 1.00 0.00 C ATOM 81 C ARG 1 5 6.781 6.224 -2.823 1.00 0.00 C ATOM 82 O ARG 1 5 6.501 7.227 -3.449 1.00 0.00 O ATOM 83 CB ARG 1 5 4.440 6.023 -1.982 1.00 0.00 C ATOM 84 CG ARG 1 5 3.633 6.326 -3.244 1.00 0.00 C ATOM 85 CD ARG 1 5 2.339 7.045 -2.861 1.00 0.00 C ATOM 86 NE ARG 1 5 1.313 6.820 -3.916 1.00 0.00 N ATOM 87 CZ ARG 1 5 0.053 7.043 -3.660 1.00 0.00 C ATOM 88 NH1 ARG 1 5 -0.310 7.459 -2.478 1.00 0.00 N ATOM 89 NH2 ARG 1 5 -0.846 6.847 -4.587 1.00 0.00 N ATOM 0 H ARG 1 5 5.931 3.484 -1.179 1.00 0.00 H new ATOM 0 HA ARG 1 5 5.465 4.555 -3.175 1.00 0.00 H new ATOM 0 HB2 ARG 1 5 3.839 5.443 -1.282 1.00 0.00 H new ATOM 0 HB3 ARG 1 5 4.710 6.951 -1.477 1.00 0.00 H new ATOM 0 HG2 ARG 1 5 4.219 6.946 -3.923 1.00 0.00 H new ATOM 0 HG3 ARG 1 5 3.405 5.401 -3.773 1.00 0.00 H new ATOM 0 HD2 ARG 1 5 1.976 6.676 -1.902 1.00 0.00 H new ATOM 0 HD3 ARG 1 5 2.525 8.112 -2.742 1.00 0.00 H new ATOM 0 HE ARG 1 5 1.595 6.491 -4.839 1.00 0.00 H new ATOM 0 HH11 ARG 1 5 0.391 7.610 -1.753 1.00 0.00 H new ATOM 0 HH12 ARG 1 5 -1.295 7.633 -2.279 1.00 0.00 H new ATOM 0 HH21 ARG 1 5 -0.563 6.520 -5.511 1.00 0.00 H new ATOM 0 HH22 ARG 1 5 -1.831 7.021 -4.387 1.00 0.00 H new ATOM 103 N GLY 1 6 8.018 5.941 -2.514 1.00 0.00 N ATOM 104 CA GLY 1 6 9.120 6.855 -2.930 1.00 0.00 C ATOM 105 C GLY 1 6 9.404 7.853 -1.808 1.00 0.00 C ATOM 106 O GLY 1 6 10.066 7.536 -0.839 1.00 0.00 O ATOM 0 H GLY 1 6 8.313 5.116 -1.991 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.018 6.280 -3.156 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 8.843 7.385 -3.841 1.00 0.00 H new ATOM 110 N LYS 1 7 8.912 9.056 -1.927 1.00 0.00 N ATOM 111 CA LYS 1 7 9.161 10.063 -0.858 1.00 0.00 C ATOM 112 C LYS 1 7 8.095 9.917 0.229 1.00 0.00 C ATOM 113 O LYS 1 7 8.398 9.809 1.401 1.00 0.00 O ATOM 114 CB LYS 1 7 9.096 11.475 -1.452 1.00 0.00 C ATOM 115 CG LYS 1 7 8.107 11.500 -2.621 1.00 0.00 C ATOM 116 CD LYS 1 7 7.921 12.943 -3.100 1.00 0.00 C ATOM 117 CE LYS 1 7 6.796 12.998 -4.138 1.00 0.00 C ATOM 118 NZ LYS 1 7 5.480 13.058 -3.441 1.00 0.00 N ATOM 0 H LYS 1 7 8.351 9.383 -2.714 1.00 0.00 H new ATOM 0 HA LYS 1 7 10.149 9.900 -0.428 1.00 0.00 H new ATOM 0 HB2 LYS 1 7 8.787 12.188 -0.687 1.00 0.00 H new ATOM 0 HB3 LYS 1 7 10.085 11.782 -1.793 1.00 0.00 H new ATOM 0 HG2 LYS 1 7 8.476 10.879 -3.437 1.00 0.00 H new ATOM 0 HG3 LYS 1 7 7.149 11.082 -2.310 1.00 0.00 H new ATOM 0 HD2 LYS 1 7 7.682 13.589 -2.255 1.00 0.00 H new ATOM 0 HD3 LYS 1 7 8.849 13.315 -3.534 1.00 0.00 H new ATOM 0 HE2 LYS 1 7 6.920 13.871 -4.779 1.00 0.00 H new ATOM 0 HE3 LYS 1 7 6.838 12.120 -4.783 1.00 0.00 H new ATOM 0 HZ1 LYS 1 7 4.716 13.095 -4.145 1.00 0.00 H new ATOM 0 HZ2 LYS 1 7 5.363 12.212 -2.847 1.00 0.00 H new ATOM 0 HZ3 LYS 1 7 5.442 13.908 -2.843 1.00 0.00 H new ATOM 132 N ARG 1 8 6.844 9.901 -0.145 1.00 0.00 N ATOM 133 CA ARG 1 8 5.772 9.738 0.877 1.00 0.00 C ATOM 134 C ARG 1 8 5.955 8.411 1.619 1.00 0.00 C ATOM 135 O ARG 1 8 7.043 7.873 1.691 1.00 0.00 O ATOM 136 CB ARG 1 8 4.409 9.755 0.184 1.00 0.00 C ATOM 137 CG ARG 1 8 4.091 11.182 -0.264 1.00 0.00 C ATOM 138 CD ARG 1 8 3.468 11.955 0.897 1.00 0.00 C ATOM 139 NE ARG 1 8 2.536 12.984 0.365 1.00 0.00 N ATOM 140 CZ ARG 1 8 3.002 13.980 -0.336 1.00 0.00 C ATOM 141 NH1 ARG 1 8 4.286 14.081 -0.548 1.00 0.00 N ATOM 142 NH2 ARG 1 8 2.189 14.879 -0.816 1.00 0.00 N ATOM 0 H ARG 1 8 6.520 9.993 -1.108 1.00 0.00 H new ATOM 0 HA ARG 1 8 5.829 10.556 1.595 1.00 0.00 H new ATOM 0 HB2 ARG 1 8 4.416 9.084 -0.675 1.00 0.00 H new ATOM 0 HB3 ARG 1 8 3.637 9.394 0.864 1.00 0.00 H new ATOM 0 HG2 ARG 1 8 5.001 11.680 -0.600 1.00 0.00 H new ATOM 0 HG3 ARG 1 8 3.406 11.164 -1.112 1.00 0.00 H new ATOM 0 HD2 ARG 1 8 2.934 11.272 1.557 1.00 0.00 H new ATOM 0 HD3 ARG 1 8 4.248 12.429 1.492 1.00 0.00 H new ATOM 0 HE ARG 1 8 1.535 12.911 0.548 1.00 0.00 H new ATOM 0 HH11 ARG 1 8 4.923 13.382 -0.166 1.00 0.00 H new ATOM 0 HH12 ARG 1 8 4.653 14.859 -1.096 1.00 0.00 H new ATOM 0 HH21 ARG 1 8 1.186 14.804 -0.643 1.00 0.00 H new ATOM 0 HH22 ARG 1 8 2.555 15.657 -1.364 1.00 0.00 H new ATOM 156 N ARG 1 9 4.898 7.878 2.173 1.00 0.00 N ATOM 157 CA ARG 1 9 5.013 6.584 2.900 1.00 0.00 C ATOM 158 C ARG 1 9 3.620 6.058 3.245 1.00 0.00 C ATOM 159 O ARG 1 9 2.905 6.639 4.039 1.00 0.00 O ATOM 160 CB ARG 1 9 5.802 6.792 4.193 1.00 0.00 C ATOM 161 CG ARG 1 9 5.938 5.453 4.924 1.00 0.00 C ATOM 162 CD ARG 1 9 7.321 5.349 5.566 1.00 0.00 C ATOM 163 NE ARG 1 9 8.367 5.431 4.508 1.00 0.00 N ATOM 164 CZ ARG 1 9 9.628 5.498 4.837 1.00 0.00 C ATOM 165 NH1 ARG 1 9 9.975 5.498 6.094 1.00 0.00 N ATOM 166 NH2 ARG 1 9 10.541 5.567 3.908 1.00 0.00 N ATOM 0 H ARG 1 9 3.962 8.284 2.153 1.00 0.00 H new ATOM 0 HA ARG 1 9 5.528 5.864 2.265 1.00 0.00 H new ATOM 0 HB2 ARG 1 9 6.788 7.199 3.969 1.00 0.00 H new ATOM 0 HB3 ARG 1 9 5.295 7.517 4.829 1.00 0.00 H new ATOM 0 HG2 ARG 1 9 5.165 5.366 5.688 1.00 0.00 H new ATOM 0 HG3 ARG 1 9 5.789 4.630 4.225 1.00 0.00 H new ATOM 0 HD2 ARG 1 9 7.458 6.151 6.291 1.00 0.00 H new ATOM 0 HD3 ARG 1 9 7.412 4.409 6.110 1.00 0.00 H new ATOM 0 HE ARG 1 9 8.097 5.435 3.524 1.00 0.00 H new ATOM 0 HH11 ARG 1 9 9.261 5.446 6.820 1.00 0.00 H new ATOM 0 HH12 ARG 1 9 10.961 5.550 6.351 1.00 0.00 H new ATOM 0 HH21 ARG 1 9 10.269 5.569 2.925 1.00 0.00 H new ATOM 0 HH22 ARG 1 9 11.527 5.619 4.165 1.00 0.00 H new ATOM 180 N ILE 1 10 3.228 4.958 2.662 1.00 0.00 N ATOM 181 CA ILE 1 10 1.883 4.398 2.967 1.00 0.00 C ATOM 182 C ILE 1 10 2.016 2.910 3.304 1.00 0.00 C ATOM 183 O ILE 1 10 2.558 2.137 2.538 1.00 0.00 O ATOM 184 CB ILE 1 10 0.967 4.584 1.754 1.00 0.00 C ATOM 185 CG1 ILE 1 10 0.182 5.889 1.912 1.00 0.00 C ATOM 186 CG2 ILE 1 10 -0.016 3.416 1.675 1.00 0.00 C ATOM 187 CD1 ILE 1 10 0.854 6.994 1.090 1.00 0.00 C ATOM 0 H ILE 1 10 3.780 4.425 1.990 1.00 0.00 H new ATOM 0 HA ILE 1 10 1.452 4.919 3.822 1.00 0.00 H new ATOM 0 HB ILE 1 10 1.568 4.620 0.845 1.00 0.00 H new ATOM 0 HG12 ILE 1 10 -0.847 5.749 1.580 1.00 0.00 H new ATOM 0 HG13 ILE 1 10 0.142 6.176 2.963 1.00 0.00 H new ATOM 0 HG21 ILE 1 10 -0.669 3.547 0.812 1.00 0.00 H new ATOM 0 HG22 ILE 1 10 0.536 2.482 1.573 1.00 0.00 H new ATOM 0 HG23 ILE 1 10 -0.618 3.385 2.583 1.00 0.00 H new ATOM 0 HD11 ILE 1 10 0.295 7.923 1.203 1.00 0.00 H new ATOM 0 HD12 ILE 1 10 1.875 7.140 1.443 1.00 0.00 H new ATOM 0 HD13 ILE 1 10 0.871 6.706 0.039 1.00 0.00 H new ATOM 199 N ARG 1 11 1.540 2.503 4.448 1.00 0.00 N ATOM 200 CA ARG 1 11 1.666 1.070 4.840 1.00 0.00 C ATOM 201 C ARG 1 11 0.282 0.402 4.843 1.00 0.00 C ATOM 202 O ARG 1 11 -0.727 1.038 5.086 1.00 0.00 O ATOM 203 CB ARG 1 11 2.269 0.985 6.245 1.00 0.00 C ATOM 204 CG ARG 1 11 3.461 1.943 6.360 1.00 0.00 C ATOM 205 CD ARG 1 11 4.311 1.566 7.578 1.00 0.00 C ATOM 206 NE ARG 1 11 3.518 1.768 8.824 1.00 0.00 N ATOM 207 CZ ARG 1 11 4.099 1.681 9.991 1.00 0.00 C ATOM 208 NH1 ARG 1 11 5.373 1.411 10.068 1.00 0.00 N ATOM 209 NH2 ARG 1 11 3.404 1.856 11.081 1.00 0.00 N ATOM 0 H ARG 1 11 1.069 3.100 5.128 1.00 0.00 H new ATOM 0 HA ARG 1 11 2.310 0.557 4.125 1.00 0.00 H new ATOM 0 HB2 ARG 1 11 1.515 1.238 6.990 1.00 0.00 H new ATOM 0 HB3 ARG 1 11 2.591 -0.036 6.451 1.00 0.00 H new ATOM 0 HG2 ARG 1 11 4.066 1.897 5.454 1.00 0.00 H new ATOM 0 HG3 ARG 1 11 3.107 2.970 6.455 1.00 0.00 H new ATOM 0 HD2 ARG 1 11 4.631 0.527 7.503 1.00 0.00 H new ATOM 0 HD3 ARG 1 11 5.214 2.176 7.607 1.00 0.00 H new ATOM 0 HE ARG 1 11 2.521 1.974 8.765 1.00 0.00 H new ATOM 0 HH11 ARG 1 11 5.916 1.268 9.217 1.00 0.00 H new ATOM 0 HH12 ARG 1 11 5.826 1.343 10.979 1.00 0.00 H new ATOM 0 HH21 ARG 1 11 2.406 2.061 11.022 1.00 0.00 H new ATOM 0 HH22 ARG 1 11 3.858 1.788 11.992 1.00 0.00 H new ATOM 223 N VAL 1 12 0.232 -0.878 4.589 1.00 0.00 N ATOM 224 CA VAL 1 12 -1.072 -1.607 4.601 1.00 0.00 C ATOM 225 C VAL 1 12 -0.807 -3.040 5.075 1.00 0.00 C ATOM 226 O VAL 1 12 -0.423 -3.899 4.304 1.00 0.00 O ATOM 227 CB VAL 1 12 -1.667 -1.610 3.182 1.00 0.00 C ATOM 228 CG1 VAL 1 12 -0.684 -2.251 2.198 1.00 0.00 C ATOM 229 CG2 VAL 1 12 -2.968 -2.418 3.182 1.00 0.00 C ATOM 0 H VAL 1 12 1.044 -1.455 4.372 1.00 0.00 H new ATOM 0 HA VAL 1 12 -1.783 -1.123 5.271 1.00 0.00 H new ATOM 0 HB VAL 1 12 -1.862 -0.582 2.877 1.00 0.00 H new ATOM 0 HG11 VAL 1 12 -1.116 -2.247 1.197 1.00 0.00 H new ATOM 0 HG12 VAL 1 12 0.247 -1.685 2.193 1.00 0.00 H new ATOM 0 HG13 VAL 1 12 -0.482 -3.278 2.502 1.00 0.00 H new ATOM 0 HG21 VAL 1 12 -3.393 -2.423 2.178 1.00 0.00 H new ATOM 0 HG22 VAL 1 12 -2.760 -3.442 3.493 1.00 0.00 H new ATOM 0 HG23 VAL 1 12 -3.678 -1.965 3.875 1.00 0.00 H new ATOM 239 N PRO 1 13 -0.973 -3.280 6.352 1.00 0.00 N ATOM 240 CA PRO 1 13 -0.638 -4.588 6.971 1.00 0.00 C ATOM 241 C PRO 1 13 0.834 -4.632 7.351 1.00 0.00 C ATOM 242 O PRO 1 13 1.351 -3.733 7.993 1.00 0.00 O ATOM 243 CB PRO 1 13 -1.520 -4.679 8.219 1.00 0.00 C ATOM 244 CG PRO 1 13 -1.800 -3.268 8.632 1.00 0.00 C ATOM 245 CD PRO 1 13 -1.546 -2.381 7.411 1.00 0.00 C ATOM 0 HA PRO 1 13 -0.813 -5.421 6.290 1.00 0.00 H new ATOM 0 HB2 PRO 1 13 -2.445 -5.213 8.004 1.00 0.00 H new ATOM 0 HB3 PRO 1 13 -1.014 -5.225 9.015 1.00 0.00 H new ATOM 0 HG2 PRO 1 13 -2.829 -3.165 8.975 1.00 0.00 H new ATOM 0 HG3 PRO 1 13 -1.156 -2.975 9.461 1.00 0.00 H new ATOM 0 HD2 PRO 1 13 -2.470 -1.916 7.068 1.00 0.00 H new ATOM 0 HD3 PRO 1 13 -0.854 -1.574 7.653 1.00 0.00 H new ATOM 253 N PRO 1 14 1.502 -5.660 6.929 1.00 0.00 N ATOM 254 CA PRO 1 14 2.942 -5.854 7.195 1.00 0.00 C ATOM 255 C PRO 1 14 3.790 -5.335 6.028 1.00 0.00 C ATOM 256 O PRO 1 14 4.919 -5.742 5.829 1.00 0.00 O ATOM 257 CB PRO 1 14 3.054 -7.372 7.332 1.00 0.00 C ATOM 258 CG PRO 1 14 2.021 -7.935 6.402 1.00 0.00 C ATOM 259 CD PRO 1 14 0.984 -6.836 6.150 1.00 0.00 C ATOM 0 HA PRO 1 14 3.301 -5.315 8.072 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 4.053 -7.718 7.065 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 2.871 -7.688 8.359 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 2.480 -8.252 5.465 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 1.549 -8.815 6.840 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 0.898 -6.605 5.088 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 -0.006 -7.136 6.492 1.00 0.00 H new