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= -0.0423 (180deg=-0.0423) USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.8! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.565 0.311 -0.021 1.00 0.00 N ATOM 2 CA ARG A 1 2.156 -0.028 -1.303 1.00 0.00 C ATOM 3 C ARG A 1 3.393 -0.908 -1.102 1.00 0.00 C ATOM 4 O ARG A 1 3.896 -1.030 0.014 1.00 0.00 O ATOM 5 CB ARG A 1 2.556 1.230 -2.077 1.00 0.00 C ATOM 6 CG ARG A 1 1.355 1.820 -2.820 1.00 0.00 C ATOM 7 CD ARG A 1 1.764 2.330 -4.203 1.00 0.00 C ATOM 8 NE ARG A 1 2.682 3.482 -4.067 1.00 0.00 N ATOM 9 CZ ARG A 1 2.281 4.739 -3.830 1.00 0.00 C ATOM 10 NH1 ARG A 1 0.975 5.013 -3.702 1.00 0.00 N ATOM 11 NH2 ARG A 1 3.184 5.722 -3.722 1.00 0.00 N ATOM 0 H3 ARG A 1 0.727 0.908 -0.172 1.00 0.00 H new ATOM 0 HA ARG A 1 1.407 -0.572 -1.878 1.00 0.00 H new ATOM 0 HB2 ARG A 1 2.963 1.971 -1.389 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.346 0.988 -2.788 1.00 0.00 H new ATOM 0 HG2 ARG A 1 0.578 1.062 -2.923 1.00 0.00 H new ATOM 0 HG3 ARG A 1 0.928 2.637 -2.238 1.00 0.00 H new ATOM 0 HD2 ARG A 1 2.250 1.532 -4.765 1.00 0.00 H new ATOM 0 HD3 ARG A 1 0.879 2.624 -4.767 1.00 0.00 H new ATOM 0 HE ARG A 1 3.683 3.309 -4.159 1.00 0.00 H new ATOM 0 HH11 ARG A 1 0.286 4.265 -3.785 1.00 0.00 H new ATOM 0 HH12 ARG A 1 0.670 5.969 -3.522 1.00 0.00 H new ATOM 0 HH21 ARG A 1 4.178 5.515 -3.820 1.00 0.00 H new ATOM 0 HH22 ARG A 1 2.878 6.678 -3.542 1.00 0.00 H new ATOM 25 N VAL A 2 3.846 -1.497 -2.198 1.00 0.00 N ATOM 26 CA VAL A 2 5.014 -2.361 -2.155 1.00 0.00 C ATOM 27 C VAL A 2 6.081 -1.817 -3.108 1.00 0.00 C ATOM 28 O VAL A 2 6.019 -2.052 -4.314 1.00 0.00 O ATOM 29 CB VAL A 2 4.610 -3.803 -2.470 1.00 0.00 C ATOM 30 CG1 VAL A 2 5.837 -4.712 -2.544 1.00 0.00 C ATOM 31 CG2 VAL A 2 3.600 -4.325 -1.446 1.00 0.00 C ATOM 0 H VAL A 2 3.426 -1.393 -3.122 1.00 0.00 H new ATOM 0 HA VAL A 2 5.446 -2.370 -1.154 1.00 0.00 H new ATOM 0 HB VAL A 2 4.129 -3.811 -3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.522 -5.731 -2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.506 -4.357 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.359 -4.697 -1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.329 -5.352 -1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.043 -4.296 -0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.707 -3.700 -1.464 1.00 0.00 H new ATOM 41 N ARG A 3 7.033 -1.101 -2.531 1.00 0.00 N ATOM 42 CA ARG A 3 8.112 -0.521 -3.314 1.00 0.00 C ATOM 43 C ARG A 3 9.039 -1.621 -3.835 1.00 0.00 C ATOM 44 O ARG A 3 8.712 -2.805 -3.754 1.00 0.00 O ATOM 45 CB ARG A 3 8.926 0.470 -2.481 1.00 0.00 C ATOM 46 CG ARG A 3 9.898 -0.262 -1.552 1.00 0.00 C ATOM 47 CD ARG A 3 10.082 0.502 -0.239 1.00 0.00 C ATOM 48 NE ARG A 3 10.958 -0.265 0.674 1.00 0.00 N ATOM 49 CZ ARG A 3 11.163 0.051 1.960 1.00 0.00 C ATOM 50 NH1 ARG A 3 10.555 1.119 2.493 1.00 0.00 N ATOM 51 NH2 ARG A 3 11.975 -0.702 2.713 1.00 0.00 N ATOM 0 H ARG A 3 7.081 -0.909 -1.530 1.00 0.00 H new ATOM 0 HA ARG A 3 7.664 0.010 -4.154 1.00 0.00 H new ATOM 0 HB2 ARG A 3 9.481 1.136 -3.142 1.00 0.00 H new ATOM 0 HB3 ARG A 3 8.254 1.093 -1.891 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.523 -1.264 -1.344 1.00 0.00 H new ATOM 0 HG3 ARG A 3 10.862 -0.379 -2.047 1.00 0.00 H new ATOM 0 HD2 ARG A 3 10.517 1.482 -0.437 1.00 0.00 H new ATOM 0 HD3 ARG A 3 9.113 0.673 0.231 1.00 0.00 H new ATOM 0 HE ARG A 3 11.436 -1.086 0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.936 1.692 1.920 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.711 1.359 3.472 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.437 -1.516 2.308 1.00 0.00 H new ATOM 0 HH22 ARG A 3 12.131 -0.462 3.692 1.00 0.00 H new ATOM 65 N THR A 4 10.179 -1.192 -4.358 1.00 0.00 N ATOM 66 CA THR A 4 11.155 -2.126 -4.891 1.00 0.00 C ATOM 67 C THR A 4 12.560 -1.521 -4.833 1.00 0.00 C ATOM 68 O THR A 4 12.729 -0.318 -5.023 1.00 0.00 O ATOM 69 CB THR A 4 10.719 -2.509 -6.307 1.00 0.00 C ATOM 70 OG1 THR A 4 9.310 -2.693 -6.198 1.00 0.00 O ATOM 71 CG2 THR A 4 11.242 -3.884 -6.729 1.00 0.00 C ATOM 0 H THR A 4 10.448 -0.210 -4.424 1.00 0.00 H new ATOM 0 HA THR A 4 11.200 -3.035 -4.291 1.00 0.00 H new ATOM 0 HB THR A 4 11.070 -1.755 -7.011 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.944 -2.942 -7.072 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.904 -4.107 -7.741 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.332 -3.883 -6.702 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.863 -4.643 -6.045 1.00 0.00 H new ATOM 79 N ARG A 5 13.530 -2.383 -4.568 1.00 0.00 N ATOM 80 CA ARG A 5 14.914 -1.949 -4.481 1.00 0.00 C ATOM 81 C ARG A 5 15.855 -3.149 -4.599 1.00 0.00 C ATOM 82 O ARG A 5 15.446 -4.288 -4.376 1.00 0.00 O ATOM 83 CB ARG A 5 15.183 -1.227 -3.159 1.00 0.00 C ATOM 84 CG ARG A 5 16.433 -0.351 -3.258 1.00 0.00 C ATOM 85 CD ARG A 5 16.297 0.674 -4.385 1.00 0.00 C ATOM 86 NE ARG A 5 17.276 0.380 -5.456 1.00 0.00 N ATOM 87 CZ ARG A 5 17.138 0.778 -6.728 1.00 0.00 C ATOM 88 NH1 ARG A 5 16.062 1.486 -7.096 1.00 0.00 N ATOM 89 NH2 ARG A 5 18.076 0.466 -7.633 1.00 0.00 N ATOM 0 H ARG A 5 13.385 -3.380 -4.411 1.00 0.00 H new ATOM 0 HA ARG A 5 15.097 -1.257 -5.303 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.323 -0.611 -2.895 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.309 -1.958 -2.360 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.596 0.164 -2.311 1.00 0.00 H new ATOM 0 HG3 ARG A 5 17.307 -0.977 -3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.285 0.650 -4.789 1.00 0.00 H new ATOM 0 HD3 ARG A 5 16.462 1.679 -3.996 1.00 0.00 H new ATOM 0 HE ARG A 5 18.107 -0.159 -5.210 1.00 0.00 H new ATOM 0 HH11 ARG A 5 15.347 1.722 -6.408 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.957 1.789 -8.064 1.00 0.00 H new ATOM 0 HH21 ARG A 5 18.895 -0.074 -7.353 1.00 0.00 H new ATOM 0 HH22 ARG A 5 17.971 0.769 -8.601 1.00 0.00 H new ATOM 103 N LYS A 6 17.097 -2.854 -4.952 1.00 0.00 N ATOM 104 CA LYS A 6 18.101 -3.894 -5.103 1.00 0.00 C ATOM 105 C LYS A 6 17.533 -5.022 -5.968 1.00 0.00 C ATOM 106 O LYS A 6 17.909 -6.181 -5.807 1.00 0.00 O ATOM 107 CB LYS A 6 18.599 -4.361 -3.734 1.00 0.00 C ATOM 108 CG LYS A 6 19.572 -3.347 -3.129 1.00 0.00 C ATOM 109 CD LYS A 6 19.390 -3.246 -1.614 1.00 0.00 C ATOM 110 CE LYS A 6 20.742 -3.212 -0.899 1.00 0.00 C ATOM 111 NZ LYS A 6 20.674 -3.960 0.376 1.00 0.00 N ATOM 0 H LYS A 6 17.432 -1.909 -5.138 1.00 0.00 H new ATOM 0 HA LYS A 6 18.978 -3.505 -5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 6 17.751 -4.502 -3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 6 19.091 -5.328 -3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 6 20.597 -3.641 -3.357 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.413 -2.369 -3.584 1.00 0.00 H new ATOM 0 HD2 LYS A 6 18.824 -2.347 -1.372 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.807 -4.095 -1.257 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.510 -3.644 -1.540 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.032 -2.179 -0.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.600 -3.927 0.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 19.955 -3.530 0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.419 -4.950 0.185 1.00 0.00 H new ATOM 125 N GLY A 7 16.637 -4.640 -6.867 1.00 0.00 N ATOM 126 CA GLY A 7 16.014 -5.605 -7.758 1.00 0.00 C ATOM 127 C GLY A 7 15.146 -6.593 -6.975 1.00 0.00 C ATOM 128 O GLY A 7 14.967 -7.735 -7.395 1.00 0.00 O ATOM 0 H GLY A 7 16.328 -3.677 -6.997 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.403 -5.084 -8.495 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.783 -6.147 -8.308 1.00 0.00 H new ATOM 132 N ARG A 8 14.631 -6.117 -5.851 1.00 0.00 N ATOM 133 CA ARG A 8 13.786 -6.944 -5.006 1.00 0.00 C ATOM 134 C ARG A 8 12.521 -6.181 -4.613 1.00 0.00 C ATOM 135 O ARG A 8 12.492 -4.952 -4.658 1.00 0.00 O ATOM 136 CB ARG A 8 14.529 -7.376 -3.740 1.00 0.00 C ATOM 137 CG ARG A 8 15.800 -8.153 -4.087 1.00 0.00 C ATOM 138 CD ARG A 8 16.902 -7.889 -3.060 1.00 0.00 C ATOM 139 NE ARG A 8 17.071 -9.068 -2.183 1.00 0.00 N ATOM 140 CZ ARG A 8 17.602 -10.232 -2.583 1.00 0.00 C ATOM 141 NH1 ARG A 8 18.019 -10.378 -3.848 1.00 0.00 N ATOM 142 NH2 ARG A 8 17.716 -11.249 -1.718 1.00 0.00 N ATOM 0 H ARG A 8 14.782 -5.169 -5.506 1.00 0.00 H new ATOM 0 HA ARG A 8 13.515 -7.833 -5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 8 14.786 -6.498 -3.148 1.00 0.00 H new ATOM 0 HB3 ARG A 8 13.876 -7.996 -3.125 1.00 0.00 H new ATOM 0 HG2 ARG A 8 15.580 -9.220 -4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 8 16.147 -7.865 -5.080 1.00 0.00 H new ATOM 0 HD2 ARG A 8 17.840 -7.668 -3.570 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.650 -7.014 -2.461 1.00 0.00 H new ATOM 0 HE ARG A 8 16.764 -8.990 -1.213 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.932 -9.604 -4.506 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.423 -11.264 -4.153 1.00 0.00 H new ATOM 0 HH21 ARG A 8 17.399 -11.137 -0.755 1.00 0.00 H new ATOM 0 HH22 ARG A 8 18.120 -12.135 -2.023 1.00 0.00 H new ATOM 156 N ARG A 9 11.503 -6.942 -4.234 1.00 0.00 N ATOM 157 CA ARG A 9 10.238 -6.352 -3.832 1.00 0.00 C ATOM 158 C ARG A 9 10.117 -6.343 -2.306 1.00 0.00 C ATOM 159 O ARG A 9 10.447 -7.328 -1.648 1.00 0.00 O ATOM 160 CB ARG A 9 9.057 -7.125 -4.425 1.00 0.00 C ATOM 161 CG ARG A 9 7.731 -6.632 -3.842 1.00 0.00 C ATOM 162 CD ARG A 9 7.152 -7.650 -2.859 1.00 0.00 C ATOM 163 NE ARG A 9 6.530 -8.771 -3.598 1.00 0.00 N ATOM 164 CZ ARG A 9 5.754 -9.705 -3.033 1.00 0.00 C ATOM 165 NH1 ARG A 9 5.498 -9.658 -1.718 1.00 0.00 N ATOM 166 NH2 ARG A 9 5.232 -10.686 -3.783 1.00 0.00 N ATOM 0 H ARG A 9 11.530 -7.961 -4.197 1.00 0.00 H new ATOM 0 HA ARG A 9 10.215 -5.329 -4.208 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.048 -7.007 -5.509 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.175 -8.189 -4.221 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.884 -5.679 -3.336 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.019 -6.454 -4.648 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.940 -8.027 -2.207 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.411 -7.170 -2.220 1.00 0.00 H new ATOM 0 HE ARG A 9 6.703 -8.837 -4.601 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.894 -8.911 -1.148 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.907 -10.369 -1.288 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.426 -10.721 -4.784 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.641 -11.397 -3.353 1.00 0.00 H new ATOM 180 N ILE A 10 9.643 -5.219 -1.789 1.00 0.00 N ATOM 181 CA ILE A 10 9.475 -5.068 -0.354 1.00 0.00 C ATOM 182 C ILE A 10 8.102 -4.457 -0.067 1.00 0.00 C ATOM 183 O ILE A 10 7.630 -3.601 -0.815 1.00 0.00 O ATOM 184 CB ILE A 10 10.639 -4.271 0.242 1.00 0.00 C ATOM 185 CG1 ILE A 10 11.588 -3.786 -0.855 1.00 0.00 C ATOM 186 CG2 ILE A 10 11.368 -5.084 1.312 1.00 0.00 C ATOM 187 CD1 ILE A 10 12.434 -4.939 -1.398 1.00 0.00 C ATOM 0 H ILE A 10 9.370 -4.404 -2.338 1.00 0.00 H new ATOM 0 HA ILE A 10 9.501 -6.041 0.136 1.00 0.00 H new ATOM 0 HB ILE A 10 10.233 -3.386 0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.013 -3.339 -1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.240 -3.007 -0.459 1.00 0.00 H new ATOM 0 HG21 ILE A 10 12.190 -4.495 1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.673 -5.339 2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 10 11.762 -5.999 0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.100 -4.567 -2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.026 -5.368 -0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.780 -5.705 -1.816 1.00 0.00 H new ATOM 199 N ARG A 11 7.498 -4.921 1.017 1.00 0.00 N ATOM 200 CA ARG A 11 6.189 -4.431 1.412 1.00 0.00 C ATOM 201 C ARG A 11 6.316 -3.470 2.596 1.00 0.00 C ATOM 202 O ARG A 11 7.143 -3.677 3.482 1.00 0.00 O ATOM 203 CB ARG A 11 5.262 -5.586 1.799 1.00 0.00 C ATOM 204 CG ARG A 11 3.827 -5.095 1.996 1.00 0.00 C ATOM 205 CD ARG A 11 3.253 -5.596 3.323 1.00 0.00 C ATOM 206 NE ARG A 11 1.917 -5.002 3.552 1.00 0.00 N ATOM 207 CZ ARG A 11 1.030 -5.468 4.442 1.00 0.00 C ATOM 208 NH1 ARG A 11 1.330 -6.538 5.191 1.00 0.00 N ATOM 209 NH2 ARG A 11 -0.158 -4.864 4.583 1.00 0.00 N ATOM 0 H ARG A 11 7.891 -5.631 1.634 1.00 0.00 H new ATOM 0 HA ARG A 11 5.761 -3.906 0.558 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.285 -6.351 1.023 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.620 -6.052 2.717 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.806 -4.005 1.975 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.204 -5.442 1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.179 -6.683 3.310 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.923 -5.332 4.141 1.00 0.00 H new ATOM 0 HE ARG A 11 1.655 -4.187 2.998 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.234 -6.998 5.084 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.654 -6.892 5.868 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.387 -4.050 4.013 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.833 -5.219 5.260 1.00 0.00 H new ATOM 223 N ILE A 12 5.485 -2.438 2.571 1.00 0.00 N ATOM 224 CA ILE A 12 5.493 -1.444 3.631 1.00 0.00 C ATOM 225 C ILE A 12 4.270 -0.538 3.484 1.00 0.00 C ATOM 226 O ILE A 12 4.210 0.407 2.697 1.00 0.00 O ATOM 227 CB ILE A 12 6.823 -0.687 3.643 1.00 0.00 C ATOM 228 CG1 ILE A 12 7.200 -0.266 5.065 1.00 0.00 C ATOM 229 CG2 ILE A 12 6.784 0.505 2.685 1.00 0.00 C ATOM 230 CD1 ILE A 12 8.717 -0.294 5.261 1.00 0.00 C ATOM 0 H ILE A 12 4.801 -2.269 1.833 1.00 0.00 H new ATOM 0 HA ILE A 12 5.417 -1.925 4.606 1.00 0.00 H new ATOM 0 HB ILE A 12 7.603 -1.360 3.288 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.823 0.737 5.263 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.724 -0.933 5.784 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.741 1.026 2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.592 0.151 1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.990 1.189 2.987 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.958 0.009 6.280 1.00 0.00 H new ATOM 0 HD12 ILE A 12 9.088 -1.304 5.086 1.00 0.00 H new ATOM 0 HD13 ILE A 12 9.188 0.393 4.557 1.00 0.00 H new ATOM 242 N PRO A 13 3.225 -0.846 4.297 1.00 0.00 N ATOM 243 CA PRO A 13 2.018 0.027 4.413 1.00 0.00 C ATOM 244 C PRO A 13 1.149 0.146 3.109 1.00 0.00 C ATOM 245 O PRO A 13 0.543 -0.817 2.637 1.00 0.00 O ATOM 246 CB PRO A 13 1.314 -0.633 5.618 1.00 0.00 C ATOM 247 CG PRO A 13 1.651 -2.123 5.509 1.00 0.00 C ATOM 248 CD PRO A 13 3.092 -2.140 5.000 1.00 0.00 C ATOM 0 HA PRO A 13 2.245 1.083 4.556 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.670 -0.216 6.560 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.237 -0.469 5.584 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.562 -2.624 6.473 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.979 -2.635 4.821 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.806 -2.227 5.819 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.271 -2.981 4.330 1.00 0.00 H new ATOM 256 N PRO A 14 1.079 1.369 2.545 1.00 0.00 N ATOM 257 CA PRO A 14 0.149 1.667 1.423 1.00 0.00 C ATOM 258 C PRO A 14 0.345 0.870 0.087 1.00 0.00 C ATOM 259 O PRO A 14 -0.432 1.006 -0.852 1.00 0.00 O ATOM 260 CB PRO A 14 0.324 3.197 1.300 1.00 0.00 C ATOM 261 CG PRO A 14 1.731 3.502 1.832 1.00 0.00 C ATOM 262 CD PRO A 14 1.943 2.488 2.957 1.00 0.00 C ATOM 0 HA PRO A 14 -0.868 1.335 1.632 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.219 3.520 0.264 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.435 3.725 1.877 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.483 3.391 1.051 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.803 4.525 2.201 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.987 2.186 3.039 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.651 2.891 3.927 1.00 0.00 H new TER 270 PRO A 14