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= -0.19 (180deg=-0.19) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.552 1.129 0.404 1.00 0.00 N ATOM 2 CA ARG A 1 3.746 1.246 -0.414 1.00 0.00 C ATOM 3 C ARG A 1 4.316 -0.139 -0.724 1.00 0.00 C ATOM 4 O ARG A 1 4.904 -0.780 0.146 1.00 0.00 O ATOM 5 CB ARG A 1 4.816 2.085 0.288 1.00 0.00 C ATOM 6 CG ARG A 1 4.946 3.464 -0.362 1.00 0.00 C ATOM 7 CD ARG A 1 5.624 3.364 -1.730 1.00 0.00 C ATOM 8 NE ARG A 1 5.279 4.545 -2.553 1.00 0.00 N ATOM 9 CZ ARG A 1 5.712 4.739 -3.806 1.00 0.00 C ATOM 10 NH1 ARG A 1 6.506 3.831 -4.389 1.00 0.00 N ATOM 11 NH2 ARG A 1 5.348 5.840 -4.478 1.00 0.00 N ATOM 0 H3 ARG A 1 2.176 2.077 0.607 1.00 0.00 H new ATOM 0 HA ARG A 1 3.463 1.742 -1.342 1.00 0.00 H new ATOM 0 HB2 ARG A 1 4.561 2.198 1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 1 5.774 1.567 0.246 1.00 0.00 H new ATOM 0 HG2 ARG A 1 3.959 3.912 -0.473 1.00 0.00 H new ATOM 0 HG3 ARG A 1 5.523 4.123 0.287 1.00 0.00 H new ATOM 0 HD2 ARG A 1 6.705 3.300 -1.606 1.00 0.00 H new ATOM 0 HD3 ARG A 1 5.307 2.452 -2.236 1.00 0.00 H new ATOM 0 HE ARG A 1 4.674 5.255 -2.141 1.00 0.00 H new ATOM 0 HH11 ARG A 1 6.781 2.992 -3.879 1.00 0.00 H new ATOM 0 HH12 ARG A 1 6.835 3.979 -5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 1 4.741 6.530 -4.036 1.00 0.00 H new ATOM 0 HH22 ARG A 1 5.678 5.988 -5.432 1.00 0.00 H new ATOM 25 N VAL A 2 4.122 -0.562 -1.965 1.00 0.00 N ATOM 26 CA VAL A 2 4.609 -1.860 -2.399 1.00 0.00 C ATOM 27 C VAL A 2 5.303 -1.711 -3.754 1.00 0.00 C ATOM 28 O VAL A 2 4.645 -1.513 -4.774 1.00 0.00 O ATOM 29 CB VAL A 2 3.459 -2.869 -2.423 1.00 0.00 C ATOM 30 CG1 VAL A 2 3.989 -4.302 -2.514 1.00 0.00 C ATOM 31 CG2 VAL A 2 2.551 -2.696 -1.203 1.00 0.00 C ATOM 0 H VAL A 2 3.634 -0.028 -2.684 1.00 0.00 H new ATOM 0 HA VAL A 2 5.347 -2.246 -1.696 1.00 0.00 H new ATOM 0 HB VAL A 2 2.862 -2.675 -3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.151 -4.999 -2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.573 -4.416 -3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.620 -4.512 -1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.742 -3.425 -1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.131 -2.850 -0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.132 -1.690 -1.201 1.00 0.00 H new ATOM 41 N ARG A 3 6.624 -1.814 -3.721 1.00 0.00 N ATOM 42 CA ARG A 3 7.414 -1.694 -4.934 1.00 0.00 C ATOM 43 C ARG A 3 8.654 -2.587 -4.850 1.00 0.00 C ATOM 44 O ARG A 3 8.724 -3.480 -4.008 1.00 0.00 O ATOM 45 CB ARG A 3 7.853 -0.246 -5.165 1.00 0.00 C ATOM 46 CG ARG A 3 7.811 0.109 -6.652 1.00 0.00 C ATOM 47 CD ARG A 3 7.032 1.405 -6.886 1.00 0.00 C ATOM 48 NE ARG A 3 5.643 1.094 -7.291 1.00 0.00 N ATOM 49 CZ ARG A 3 4.676 2.012 -7.426 1.00 0.00 C ATOM 50 NH1 ARG A 3 4.941 3.304 -7.186 1.00 0.00 N ATOM 51 NH2 ARG A 3 3.444 1.638 -7.798 1.00 0.00 N ATOM 0 H ARG A 3 7.166 -1.979 -2.873 1.00 0.00 H new ATOM 0 HA ARG A 3 6.789 -2.010 -5.769 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.202 0.428 -4.608 1.00 0.00 H new ATOM 0 HB3 ARG A 3 8.863 -0.103 -4.782 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.827 0.218 -7.032 1.00 0.00 H new ATOM 0 HG3 ARG A 3 7.347 -0.704 -7.210 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.029 2.006 -5.977 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.521 1.998 -7.659 1.00 0.00 H new ATOM 0 HE ARG A 3 5.407 0.120 -7.479 1.00 0.00 H new ATOM 0 HH11 ARG A 3 5.878 3.588 -6.901 1.00 0.00 H new ATOM 0 HH12 ARG A 3 4.205 4.003 -7.289 1.00 0.00 H new ATOM 0 HH21 ARG A 3 3.242 0.655 -7.978 1.00 0.00 H new ATOM 0 HH22 ARG A 3 2.708 2.337 -7.901 1.00 0.00 H new ATOM 65 N THR A 4 9.600 -2.316 -5.737 1.00 0.00 N ATOM 66 CA THR A 4 10.833 -3.084 -5.774 1.00 0.00 C ATOM 67 C THR A 4 12.045 -2.150 -5.752 1.00 0.00 C ATOM 68 O THR A 4 12.061 -1.135 -6.446 1.00 0.00 O ATOM 69 CB THR A 4 10.787 -3.992 -7.004 1.00 0.00 C ATOM 70 OG1 THR A 4 9.410 -4.336 -7.131 1.00 0.00 O ATOM 71 CG2 THR A 4 11.486 -5.332 -6.769 1.00 0.00 C ATOM 0 H THR A 4 9.538 -1.575 -6.436 1.00 0.00 H new ATOM 0 HA THR A 4 10.933 -3.714 -4.890 1.00 0.00 H new ATOM 0 HB THR A 4 11.253 -3.483 -7.848 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.290 -4.923 -7.906 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.424 -5.938 -7.673 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.533 -5.158 -6.520 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.000 -5.857 -5.947 1.00 0.00 H new ATOM 79 N ARG A 5 13.027 -2.527 -4.948 1.00 0.00 N ATOM 80 CA ARG A 5 14.241 -1.736 -4.828 1.00 0.00 C ATOM 81 C ARG A 5 15.456 -2.649 -4.658 1.00 0.00 C ATOM 82 O ARG A 5 15.326 -3.783 -4.199 1.00 0.00 O ATOM 83 CB ARG A 5 14.158 -0.780 -3.636 1.00 0.00 C ATOM 84 CG ARG A 5 13.389 0.490 -4.003 1.00 0.00 C ATOM 85 CD ARG A 5 13.850 1.676 -3.153 1.00 0.00 C ATOM 86 NE ARG A 5 14.994 2.352 -3.807 1.00 0.00 N ATOM 87 CZ ARG A 5 15.532 3.502 -3.378 1.00 0.00 C ATOM 88 NH1 ARG A 5 15.033 4.111 -2.293 1.00 0.00 N ATOM 89 NH2 ARG A 5 16.567 4.043 -4.034 1.00 0.00 N ATOM 0 H ARG A 5 13.008 -3.369 -4.373 1.00 0.00 H new ATOM 0 HA ARG A 5 14.348 -1.152 -5.742 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.667 -1.278 -2.800 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.163 -0.518 -3.305 1.00 0.00 H new ATOM 0 HG2 ARG A 5 13.536 0.716 -5.059 1.00 0.00 H new ATOM 0 HG3 ARG A 5 12.321 0.327 -3.858 1.00 0.00 H new ATOM 0 HD2 ARG A 5 13.029 2.380 -3.020 1.00 0.00 H new ATOM 0 HD3 ARG A 5 14.139 1.332 -2.160 1.00 0.00 H new ATOM 0 HE ARG A 5 15.398 1.915 -4.636 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.244 3.699 -1.794 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.442 4.986 -1.966 1.00 0.00 H new ATOM 0 HH21 ARG A 5 16.946 3.580 -4.860 1.00 0.00 H new ATOM 0 HH22 ARG A 5 16.976 4.918 -3.707 1.00 0.00 H new ATOM 103 N LYS A 6 16.611 -2.121 -5.037 1.00 0.00 N ATOM 104 CA LYS A 6 17.849 -2.876 -4.932 1.00 0.00 C ATOM 105 C LYS A 6 17.667 -4.240 -5.598 1.00 0.00 C ATOM 106 O LYS A 6 18.341 -5.205 -5.239 1.00 0.00 O ATOM 107 CB LYS A 6 18.303 -2.959 -3.473 1.00 0.00 C ATOM 108 CG LYS A 6 18.709 -1.581 -2.946 1.00 0.00 C ATOM 109 CD LYS A 6 18.885 -1.605 -1.427 1.00 0.00 C ATOM 110 CE LYS A 6 20.322 -1.969 -1.047 1.00 0.00 C ATOM 111 NZ LYS A 6 20.815 -1.078 0.028 1.00 0.00 N ATOM 0 H LYS A 6 16.716 -1.180 -5.417 1.00 0.00 H new ATOM 0 HA LYS A 6 18.653 -2.367 -5.463 1.00 0.00 H new ATOM 0 HB2 LYS A 6 17.498 -3.364 -2.860 1.00 0.00 H new ATOM 0 HB3 LYS A 6 19.144 -3.647 -3.389 1.00 0.00 H new ATOM 0 HG2 LYS A 6 19.640 -1.267 -3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 6 17.950 -0.846 -3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 6 18.632 -0.629 -1.013 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.195 -2.326 -0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 6 20.365 -3.007 -0.716 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.968 -1.886 -1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.791 -1.338 0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.792 -0.092 -0.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.208 -1.177 0.867 1.00 0.00 H new ATOM 125 N GLY A 7 16.753 -4.279 -6.557 1.00 0.00 N ATOM 126 CA GLY A 7 16.474 -5.510 -7.276 1.00 0.00 C ATOM 127 C GLY A 7 15.712 -6.501 -6.394 1.00 0.00 C ATOM 128 O GLY A 7 15.736 -7.705 -6.642 1.00 0.00 O ATOM 0 H GLY A 7 16.196 -3.477 -6.853 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.890 -5.289 -8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.409 -5.960 -7.610 1.00 0.00 H new ATOM 132 N ARG A 8 15.054 -5.956 -5.381 1.00 0.00 N ATOM 133 CA ARG A 8 14.286 -6.777 -4.460 1.00 0.00 C ATOM 134 C ARG A 8 12.911 -6.154 -4.213 1.00 0.00 C ATOM 135 O ARG A 8 12.739 -4.945 -4.357 1.00 0.00 O ATOM 136 CB ARG A 8 15.015 -6.935 -3.124 1.00 0.00 C ATOM 137 CG ARG A 8 16.445 -7.433 -3.334 1.00 0.00 C ATOM 138 CD ARG A 8 16.516 -8.958 -3.225 1.00 0.00 C ATOM 139 NE ARG A 8 17.506 -9.346 -2.196 1.00 0.00 N ATOM 140 CZ ARG A 8 17.250 -9.376 -0.880 1.00 0.00 C ATOM 141 NH1 ARG A 8 16.033 -9.040 -0.427 1.00 0.00 N ATOM 142 NH2 ARG A 8 18.209 -9.741 -0.019 1.00 0.00 N ATOM 0 H ARG A 8 15.037 -4.957 -5.178 1.00 0.00 H new ATOM 0 HA ARG A 8 14.166 -7.761 -4.914 1.00 0.00 H new ATOM 0 HB2 ARG A 8 15.033 -5.979 -2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 8 14.472 -7.636 -2.490 1.00 0.00 H new ATOM 0 HG2 ARG A 8 16.803 -7.118 -4.314 1.00 0.00 H new ATOM 0 HG3 ARG A 8 17.104 -6.981 -2.593 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.536 -9.358 -2.967 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.793 -9.387 -4.188 1.00 0.00 H new ATOM 0 HE ARG A 8 18.442 -9.607 -2.507 1.00 0.00 H new ATOM 0 HH11 ARG A 8 15.303 -8.762 -1.083 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.837 -9.062 0.574 1.00 0.00 H new ATOM 0 HH21 ARG A 8 19.134 -9.996 -0.364 1.00 0.00 H new ATOM 0 HH22 ARG A 8 18.014 -9.764 0.982 1.00 0.00 H new ATOM 156 N ARG A 9 11.967 -7.007 -3.846 1.00 0.00 N ATOM 157 CA ARG A 9 10.612 -6.555 -3.577 1.00 0.00 C ATOM 158 C ARG A 9 10.357 -6.509 -2.069 1.00 0.00 C ATOM 159 O ARG A 9 10.788 -7.397 -1.336 1.00 0.00 O ATOM 160 CB ARG A 9 9.583 -7.478 -4.233 1.00 0.00 C ATOM 161 CG ARG A 9 8.161 -7.100 -3.813 1.00 0.00 C ATOM 162 CD ARG A 9 7.728 -7.886 -2.573 1.00 0.00 C ATOM 163 NE ARG A 9 6.484 -8.634 -2.858 1.00 0.00 N ATOM 164 CZ ARG A 9 5.720 -9.206 -1.917 1.00 0.00 C ATOM 165 NH1 ARG A 9 6.068 -9.119 -0.627 1.00 0.00 N ATOM 166 NH2 ARG A 9 4.607 -9.865 -2.267 1.00 0.00 N ATOM 0 H ARG A 9 12.113 -8.010 -3.728 1.00 0.00 H new ATOM 0 HA ARG A 9 10.507 -5.555 -3.998 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.674 -7.417 -5.318 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.786 -8.512 -3.953 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.111 -6.031 -3.606 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.471 -7.298 -4.633 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.517 -8.576 -2.276 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.569 -7.205 -1.737 1.00 0.00 H new ATOM 0 HE ARG A 9 6.189 -8.720 -3.831 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.915 -8.617 -0.360 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.486 -9.554 0.089 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.341 -9.931 -3.250 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.026 -10.300 -1.551 1.00 0.00 H new ATOM 180 N ILE A 10 9.657 -5.463 -1.651 1.00 0.00 N ATOM 181 CA ILE A 10 9.340 -5.290 -0.244 1.00 0.00 C ATOM 182 C ILE A 10 7.913 -4.755 -0.111 1.00 0.00 C ATOM 183 O ILE A 10 7.402 -4.102 -1.020 1.00 0.00 O ATOM 184 CB ILE A 10 10.392 -4.412 0.437 1.00 0.00 C ATOM 185 CG1 ILE A 10 11.678 -4.356 -0.389 1.00 0.00 C ATOM 186 CG2 ILE A 10 10.651 -4.880 1.871 1.00 0.00 C ATOM 187 CD1 ILE A 10 11.493 -3.484 -1.633 1.00 0.00 C ATOM 0 H ILE A 10 9.301 -4.728 -2.262 1.00 0.00 H new ATOM 0 HA ILE A 10 9.372 -6.248 0.276 1.00 0.00 H new ATOM 0 HB ILE A 10 10.003 -3.395 0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.489 -3.958 0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.967 -5.364 -0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.402 -4.239 2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.726 -4.825 2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 10 11.010 -5.909 1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.422 -3.461 -2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.698 -3.898 -2.253 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.227 -2.471 -1.331 1.00 0.00 H new ATOM 199 N ARG A 11 7.308 -5.053 1.031 1.00 0.00 N ATOM 200 CA ARG A 11 5.949 -4.610 1.294 1.00 0.00 C ATOM 201 C ARG A 11 5.850 -4.014 2.700 1.00 0.00 C ATOM 202 O ARG A 11 6.425 -4.547 3.647 1.00 0.00 O ATOM 203 CB ARG A 11 4.959 -5.769 1.168 1.00 0.00 C ATOM 204 CG ARG A 11 3.565 -5.261 0.792 1.00 0.00 C ATOM 205 CD ARG A 11 2.498 -6.318 1.084 1.00 0.00 C ATOM 206 NE ARG A 11 1.541 -6.395 -0.042 1.00 0.00 N ATOM 207 CZ ARG A 11 0.511 -7.250 -0.095 1.00 0.00 C ATOM 208 NH1 ARG A 11 0.299 -8.107 0.914 1.00 0.00 N ATOM 209 NH2 ARG A 11 -0.307 -7.250 -1.157 1.00 0.00 N ATOM 0 H ARG A 11 7.734 -5.595 1.783 1.00 0.00 H new ATOM 0 HA ARG A 11 5.697 -3.850 0.554 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.310 -6.471 0.412 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.909 -6.314 2.111 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.343 -4.351 1.350 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.543 -4.999 -0.266 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.969 -7.289 1.239 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.970 -6.069 2.005 1.00 0.00 H new ATOM 0 HE ARG A 11 1.674 -5.757 -0.827 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.922 -8.108 1.722 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.485 -8.758 0.874 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.145 -6.599 -1.925 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.091 -7.901 -1.197 1.00 0.00 H new ATOM 223 N ILE A 12 5.115 -2.914 2.791 1.00 0.00 N ATOM 224 CA ILE A 12 4.933 -2.239 4.064 1.00 0.00 C ATOM 225 C ILE A 12 3.895 -1.127 3.903 1.00 0.00 C ATOM 226 O ILE A 12 4.152 -0.013 3.445 1.00 0.00 O ATOM 227 CB ILE A 12 6.277 -1.752 4.610 1.00 0.00 C ATOM 228 CG1 ILE A 12 6.293 -1.790 6.140 1.00 0.00 C ATOM 229 CG2 ILE A 12 6.618 -0.364 4.067 1.00 0.00 C ATOM 230 CD1 ILE A 12 5.329 -0.756 6.724 1.00 0.00 C ATOM 0 H ILE A 12 4.639 -2.474 2.003 1.00 0.00 H new ATOM 0 HA ILE A 12 4.545 -2.932 4.810 1.00 0.00 H new ATOM 0 HB ILE A 12 7.054 -2.433 4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.017 -2.786 6.486 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.303 -1.596 6.502 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.578 -0.041 4.470 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.676 -0.403 2.979 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.843 0.343 4.364 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.360 -0.804 7.813 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.623 0.241 6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.317 -0.967 6.380 1.00 0.00 H new ATOM 242 N PRO A 13 2.639 -1.450 4.307 1.00 0.00 N ATOM 243 CA PRO A 13 1.539 -0.441 4.382 1.00 0.00 C ATOM 244 C PRO A 13 1.175 0.255 3.021 1.00 0.00 C ATOM 245 O PRO A 13 0.643 -0.359 2.094 1.00 0.00 O ATOM 246 CB PRO A 13 0.417 -1.300 5.006 1.00 0.00 C ATOM 247 CG PRO A 13 0.649 -2.713 4.461 1.00 0.00 C ATOM 248 CD PRO A 13 2.172 -2.849 4.419 1.00 0.00 C ATOM 0 HA PRO A 13 1.789 0.448 4.960 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.467 -1.284 6.095 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.568 -0.926 4.727 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.199 -3.468 5.105 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.210 -2.836 3.471 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.557 -3.330 5.318 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.498 -3.451 3.571 1.00 0.00 H new ATOM 256 N PRO A 14 1.449 1.571 2.929 1.00 0.00 N ATOM 257 CA PRO A 14 0.989 2.393 1.778 1.00 0.00 C ATOM 258 C PRO A 14 1.550 2.034 0.359 1.00 0.00 C ATOM 259 O PRO A 14 1.382 2.781 -0.598 1.00 0.00 O ATOM 260 CB PRO A 14 1.343 3.813 2.277 1.00 0.00 C ATOM 261 CG PRO A 14 2.507 3.635 3.260 1.00 0.00 C ATOM 262 CD PRO A 14 2.226 2.298 3.948 1.00 0.00 C ATOM 0 HA PRO A 14 -0.065 2.232 1.553 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.628 4.459 1.447 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.488 4.280 2.765 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.466 3.621 2.742 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.546 4.452 3.981 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.146 1.774 4.207 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.662 2.428 4.872 1.00 0.00 H new TER 270 PRO A 14