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= -0.183 (180deg=-0.183) USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.25! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.273 -0.173 0.055 1.00 0.00 N ATOM 2 CA ARG A 1 1.994 -0.154 -1.206 1.00 0.00 C ATOM 3 C ARG A 1 3.159 -1.146 -1.166 1.00 0.00 C ATOM 4 O ARG A 1 3.509 -1.655 -0.102 1.00 0.00 O ATOM 5 CB ARG A 1 2.536 1.245 -1.510 1.00 0.00 C ATOM 6 CG ARG A 1 1.486 2.093 -2.232 1.00 0.00 C ATOM 7 CD ARG A 1 2.120 3.341 -2.849 1.00 0.00 C ATOM 8 NE ARG A 1 1.196 4.491 -2.728 1.00 0.00 N ATOM 9 CZ ARG A 1 1.285 5.607 -3.464 1.00 0.00 C ATOM 10 NH1 ARG A 1 2.256 5.731 -4.380 1.00 0.00 N ATOM 11 NH2 ARG A 1 0.402 6.599 -3.286 1.00 0.00 N ATOM 0 H3 ARG A 1 0.485 0.505 0.015 1.00 0.00 H new ATOM 0 HA ARG A 1 1.295 -0.440 -1.992 1.00 0.00 H new ATOM 0 HB2 ARG A 1 2.829 1.735 -0.582 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.432 1.166 -2.126 1.00 0.00 H new ATOM 0 HG2 ARG A 1 1.008 1.500 -3.012 1.00 0.00 H new ATOM 0 HG3 ARG A 1 0.705 2.386 -1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 1 3.061 3.566 -2.348 1.00 0.00 H new ATOM 0 HD3 ARG A 1 2.353 3.160 -3.898 1.00 0.00 H new ATOM 0 HE ARG A 1 0.444 4.430 -2.041 1.00 0.00 H new ATOM 0 HH11 ARG A 1 2.927 4.975 -4.517 1.00 0.00 H new ATOM 0 HH12 ARG A 1 2.323 6.581 -4.940 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -0.338 6.504 -2.590 1.00 0.00 H new ATOM 0 HH22 ARG A 1 0.470 7.449 -3.846 1.00 0.00 H new ATOM 25 N VAL A 2 3.727 -1.390 -2.338 1.00 0.00 N ATOM 26 CA VAL A 2 4.844 -2.311 -2.450 1.00 0.00 C ATOM 27 C VAL A 2 5.989 -1.629 -3.202 1.00 0.00 C ATOM 28 O VAL A 2 5.955 -1.519 -4.427 1.00 0.00 O ATOM 29 CB VAL A 2 4.386 -3.611 -3.113 1.00 0.00 C ATOM 30 CG1 VAL A 2 4.151 -3.411 -4.611 1.00 0.00 C ATOM 31 CG2 VAL A 2 5.390 -4.738 -2.862 1.00 0.00 C ATOM 0 H VAL A 2 3.434 -0.966 -3.218 1.00 0.00 H new ATOM 0 HA VAL A 2 5.218 -2.579 -1.462 1.00 0.00 H new ATOM 0 HB VAL A 2 3.437 -3.900 -2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.826 -4.351 -5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.382 -2.653 -4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.077 -3.086 -5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.040 -5.651 -3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.360 -4.459 -3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.486 -4.908 -1.790 1.00 0.00 H new ATOM 41 N ARG A 3 6.976 -1.187 -2.436 1.00 0.00 N ATOM 42 CA ARG A 3 8.130 -0.518 -3.015 1.00 0.00 C ATOM 43 C ARG A 3 9.047 -1.535 -3.697 1.00 0.00 C ATOM 44 O ARG A 3 8.665 -2.689 -3.889 1.00 0.00 O ATOM 45 CB ARG A 3 8.923 0.236 -1.946 1.00 0.00 C ATOM 46 CG ARG A 3 8.765 1.749 -2.112 1.00 0.00 C ATOM 47 CD ARG A 3 10.073 2.388 -2.583 1.00 0.00 C ATOM 48 NE ARG A 3 10.589 3.309 -1.545 1.00 0.00 N ATOM 49 CZ ARG A 3 11.351 2.924 -0.512 1.00 0.00 C ATOM 50 NH1 ARG A 3 11.689 1.634 -0.372 1.00 0.00 N ATOM 51 NH2 ARG A 3 11.773 3.828 0.383 1.00 0.00 N ATOM 0 H ARG A 3 7.001 -1.279 -1.420 1.00 0.00 H new ATOM 0 HA ARG A 3 7.763 0.197 -3.752 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.580 -0.063 -0.955 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.977 -0.033 -2.013 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.974 1.959 -2.832 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.460 2.193 -1.164 1.00 0.00 H new ATOM 0 HD2 ARG A 3 10.811 1.614 -2.793 1.00 0.00 H new ATOM 0 HD3 ARG A 3 9.908 2.931 -3.513 1.00 0.00 H new ATOM 0 HE ARG A 3 10.350 4.298 -1.621 1.00 0.00 H new ATOM 0 HH11 ARG A 3 11.366 0.946 -1.052 1.00 0.00 H new ATOM 0 HH12 ARG A 3 12.269 1.341 0.414 1.00 0.00 H new ATOM 0 HH21 ARG A 3 11.514 4.809 0.278 1.00 0.00 H new ATOM 0 HH22 ARG A 3 12.353 3.535 1.169 1.00 0.00 H new ATOM 65 N THR A 4 10.238 -1.071 -4.044 1.00 0.00 N ATOM 66 CA THR A 4 11.212 -1.925 -4.700 1.00 0.00 C ATOM 67 C THR A 4 12.634 -1.453 -4.387 1.00 0.00 C ATOM 68 O THR A 4 12.882 -0.253 -4.276 1.00 0.00 O ATOM 69 CB THR A 4 10.894 -1.944 -6.196 1.00 0.00 C ATOM 70 OG1 THR A 4 9.472 -2.015 -6.248 1.00 0.00 O ATOM 71 CG2 THR A 4 11.355 -3.235 -6.878 1.00 0.00 C ATOM 0 H THR A 4 10.551 -0.114 -3.883 1.00 0.00 H new ATOM 0 HA THR A 4 11.154 -2.948 -4.328 1.00 0.00 H new ATOM 0 HB THR A 4 11.369 -1.089 -6.678 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.179 -2.030 -7.183 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.105 -3.196 -7.938 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.434 -3.342 -6.763 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.855 -4.088 -6.419 1.00 0.00 H new ATOM 79 N ARG A 5 13.530 -2.420 -4.255 1.00 0.00 N ATOM 80 CA ARG A 5 14.919 -2.117 -3.957 1.00 0.00 C ATOM 81 C ARG A 5 15.809 -3.311 -4.307 1.00 0.00 C ATOM 82 O ARG A 5 15.362 -4.457 -4.266 1.00 0.00 O ATOM 83 CB ARG A 5 15.102 -1.769 -2.477 1.00 0.00 C ATOM 84 CG ARG A 5 16.539 -1.327 -2.193 1.00 0.00 C ATOM 85 CD ARG A 5 17.350 -2.466 -1.571 1.00 0.00 C ATOM 86 NE ARG A 5 17.637 -2.166 -0.150 1.00 0.00 N ATOM 87 CZ ARG A 5 18.537 -2.827 0.590 1.00 0.00 C ATOM 88 NH1 ARG A 5 19.243 -3.829 0.049 1.00 0.00 N ATOM 89 NH2 ARG A 5 18.730 -2.485 1.871 1.00 0.00 N ATOM 0 H ARG A 5 13.321 -3.414 -4.349 1.00 0.00 H new ATOM 0 HA ARG A 5 15.207 -1.255 -4.559 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.411 -0.973 -2.198 1.00 0.00 H new ATOM 0 HB3 ARG A 5 14.856 -2.635 -1.863 1.00 0.00 H new ATOM 0 HG2 ARG A 5 17.013 -1.002 -3.119 1.00 0.00 H new ATOM 0 HG3 ARG A 5 16.533 -0.470 -1.520 1.00 0.00 H new ATOM 0 HD2 ARG A 5 16.797 -3.402 -1.649 1.00 0.00 H new ATOM 0 HD3 ARG A 5 18.283 -2.600 -2.118 1.00 0.00 H new ATOM 0 HE ARG A 5 17.117 -1.409 0.293 1.00 0.00 H new ATOM 0 HH11 ARG A 5 19.095 -4.088 -0.926 1.00 0.00 H new ATOM 0 HH12 ARG A 5 19.928 -4.332 0.612 1.00 0.00 H new ATOM 0 HH21 ARG A 5 18.192 -1.722 2.282 1.00 0.00 H new ATOM 0 HH22 ARG A 5 19.415 -2.988 2.435 1.00 0.00 H new ATOM 103 N LYS A 6 17.053 -3.003 -4.644 1.00 0.00 N ATOM 104 CA LYS A 6 18.009 -4.037 -5.001 1.00 0.00 C ATOM 105 C LYS A 6 17.338 -5.046 -5.934 1.00 0.00 C ATOM 106 O LYS A 6 17.515 -6.253 -5.779 1.00 0.00 O ATOM 107 CB LYS A 6 18.611 -4.667 -3.743 1.00 0.00 C ATOM 108 CG LYS A 6 20.040 -4.170 -3.512 1.00 0.00 C ATOM 109 CD LYS A 6 21.046 -4.998 -4.314 1.00 0.00 C ATOM 110 CE LYS A 6 21.900 -5.869 -3.390 1.00 0.00 C ATOM 111 NZ LYS A 6 22.314 -7.109 -4.084 1.00 0.00 N ATOM 0 H LYS A 6 17.421 -2.052 -4.677 1.00 0.00 H new ATOM 0 HA LYS A 6 18.849 -3.608 -5.547 1.00 0.00 H new ATOM 0 HB2 LYS A 6 17.993 -4.424 -2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 6 18.611 -5.753 -3.840 1.00 0.00 H new ATOM 0 HG2 LYS A 6 20.115 -3.121 -3.800 1.00 0.00 H new ATOM 0 HG3 LYS A 6 20.281 -4.227 -2.451 1.00 0.00 H new ATOM 0 HD2 LYS A 6 20.516 -5.629 -5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 6 21.690 -4.335 -4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 6 22.781 -5.314 -3.069 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.335 -6.119 -2.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 22.893 -7.689 -3.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.470 -7.646 -4.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 22.871 -6.865 -4.928 1.00 0.00 H new ATOM 125 N GLY A 7 16.583 -4.514 -6.884 1.00 0.00 N ATOM 126 CA GLY A 7 15.884 -5.354 -7.843 1.00 0.00 C ATOM 127 C GLY A 7 15.076 -6.441 -7.132 1.00 0.00 C ATOM 128 O GLY A 7 14.960 -7.560 -7.631 1.00 0.00 O ATOM 0 H GLY A 7 16.440 -3.512 -7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.219 -4.741 -8.452 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.603 -5.815 -8.521 1.00 0.00 H new ATOM 132 N ARG A 8 14.539 -6.076 -5.977 1.00 0.00 N ATOM 133 CA ARG A 8 13.744 -7.006 -5.194 1.00 0.00 C ATOM 134 C ARG A 8 12.433 -6.348 -4.759 1.00 0.00 C ATOM 135 O ARG A 8 12.315 -5.125 -4.766 1.00 0.00 O ATOM 136 CB ARG A 8 14.509 -7.473 -3.953 1.00 0.00 C ATOM 137 CG ARG A 8 15.781 -8.227 -4.345 1.00 0.00 C ATOM 138 CD ARG A 8 15.776 -9.644 -3.768 1.00 0.00 C ATOM 139 NE ARG A 8 16.207 -10.613 -4.801 1.00 0.00 N ATOM 140 CZ ARG A 8 15.939 -11.925 -4.760 1.00 0.00 C ATOM 141 NH1 ARG A 8 15.239 -12.434 -3.736 1.00 0.00 N ATOM 142 NH2 ARG A 8 16.370 -12.728 -5.741 1.00 0.00 N ATOM 0 H ARG A 8 14.639 -5.148 -5.565 1.00 0.00 H new ATOM 0 HA ARG A 8 13.529 -7.871 -5.822 1.00 0.00 H new ATOM 0 HB2 ARG A 8 14.768 -6.613 -3.336 1.00 0.00 H new ATOM 0 HB3 ARG A 8 13.871 -8.118 -3.349 1.00 0.00 H new ATOM 0 HG2 ARG A 8 15.861 -8.273 -5.431 1.00 0.00 H new ATOM 0 HG3 ARG A 8 16.655 -7.686 -3.983 1.00 0.00 H new ATOM 0 HD2 ARG A 8 16.442 -9.697 -2.907 1.00 0.00 H new ATOM 0 HD3 ARG A 8 14.777 -9.898 -3.414 1.00 0.00 H new ATOM 0 HE ARG A 8 16.742 -10.259 -5.594 1.00 0.00 H new ATOM 0 HH11 ARG A 8 14.911 -11.822 -2.989 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.035 -13.433 -3.704 1.00 0.00 H new ATOM 0 HH21 ARG A 8 16.903 -12.341 -6.520 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.166 -13.727 -5.709 1.00 0.00 H new ATOM 156 N ARG A 9 11.479 -7.192 -4.391 1.00 0.00 N ATOM 157 CA ARG A 9 10.180 -6.709 -3.955 1.00 0.00 C ATOM 158 C ARG A 9 10.153 -6.564 -2.432 1.00 0.00 C ATOM 159 O ARG A 9 10.628 -7.442 -1.712 1.00 0.00 O ATOM 160 CB ARG A 9 9.064 -7.659 -4.390 1.00 0.00 C ATOM 161 CG ARG A 9 7.742 -7.304 -3.706 1.00 0.00 C ATOM 162 CD ARG A 9 7.484 -8.216 -2.505 1.00 0.00 C ATOM 163 NE ARG A 9 7.205 -9.594 -2.968 1.00 0.00 N ATOM 164 CZ ARG A 9 6.642 -10.542 -2.206 1.00 0.00 C ATOM 165 NH1 ARG A 9 6.293 -10.267 -0.942 1.00 0.00 N ATOM 166 NH2 ARG A 9 6.426 -11.765 -2.709 1.00 0.00 N ATOM 0 H ARG A 9 11.580 -8.207 -4.386 1.00 0.00 H new ATOM 0 HA ARG A 9 10.014 -5.737 -4.420 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.942 -7.611 -5.472 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.340 -8.685 -4.146 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.765 -6.264 -3.379 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.923 -7.396 -4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.350 -8.214 -1.843 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.640 -7.840 -1.927 1.00 0.00 H new ATOM 0 HE ARG A 9 7.457 -9.837 -3.926 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.456 -9.336 -0.559 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.865 -10.989 -0.363 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.690 -11.974 -3.672 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.998 -12.487 -2.129 1.00 0.00 H new ATOM 180 N ILE A 10 9.590 -5.451 -1.984 1.00 0.00 N ATOM 181 CA ILE A 10 9.494 -5.181 -0.560 1.00 0.00 C ATOM 182 C ILE A 10 8.094 -4.653 -0.239 1.00 0.00 C ATOM 183 O ILE A 10 7.367 -4.227 -1.135 1.00 0.00 O ATOM 184 CB ILE A 10 10.621 -4.247 -0.114 1.00 0.00 C ATOM 185 CG1 ILE A 10 11.882 -4.472 -0.950 1.00 0.00 C ATOM 186 CG2 ILE A 10 10.893 -4.391 1.384 1.00 0.00 C ATOM 187 CD1 ILE A 10 12.449 -5.875 -0.721 1.00 0.00 C ATOM 0 H ILE A 10 9.196 -4.726 -2.583 1.00 0.00 H new ATOM 0 HA ILE A 10 9.628 -6.099 0.012 1.00 0.00 H new ATOM 0 HB ILE A 10 10.300 -3.219 -0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.651 -4.337 -2.007 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.633 -3.726 -0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.698 -3.716 1.674 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.991 -4.141 1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 10 11.184 -5.418 1.604 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.345 -6.009 -1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.702 -5.998 0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.705 -6.619 -1.005 1.00 0.00 H new ATOM 199 N ARG A 11 7.759 -4.697 1.042 1.00 0.00 N ATOM 200 CA ARG A 11 6.460 -4.229 1.492 1.00 0.00 C ATOM 201 C ARG A 11 6.627 -3.099 2.511 1.00 0.00 C ATOM 202 O ARG A 11 7.523 -3.145 3.353 1.00 0.00 O ATOM 203 CB ARG A 11 5.655 -5.364 2.128 1.00 0.00 C ATOM 204 CG ARG A 11 4.152 -5.123 1.973 1.00 0.00 C ATOM 205 CD ARG A 11 3.382 -6.445 1.979 1.00 0.00 C ATOM 206 NE ARG A 11 2.623 -6.583 3.243 1.00 0.00 N ATOM 207 CZ ARG A 11 2.019 -7.713 3.636 1.00 0.00 C ATOM 208 NH1 ARG A 11 2.080 -8.809 2.867 1.00 0.00 N ATOM 209 NH2 ARG A 11 1.353 -7.747 4.799 1.00 0.00 N ATOM 0 H ARG A 11 8.365 -5.050 1.783 1.00 0.00 H new ATOM 0 HA ARG A 11 5.920 -3.861 0.620 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.925 -6.312 1.662 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.907 -5.445 3.185 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.796 -4.487 2.784 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.960 -4.590 1.042 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.700 -6.482 1.130 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.075 -7.279 1.868 1.00 0.00 H new ATOM 0 HE ARG A 11 2.556 -5.768 3.852 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.586 -8.783 1.982 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.620 -9.669 3.167 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.306 -6.913 5.384 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.893 -8.607 5.098 1.00 0.00 H new ATOM 223 N ILE A 12 5.750 -2.112 2.401 1.00 0.00 N ATOM 224 CA ILE A 12 5.789 -0.973 3.303 1.00 0.00 C ATOM 225 C ILE A 12 4.465 -0.211 3.212 1.00 0.00 C ATOM 226 O ILE A 12 4.226 0.646 2.361 1.00 0.00 O ATOM 227 CB ILE A 12 7.018 -0.106 3.018 1.00 0.00 C ATOM 228 CG1 ILE A 12 7.474 0.628 4.280 1.00 0.00 C ATOM 229 CG2 ILE A 12 6.753 0.856 1.859 1.00 0.00 C ATOM 230 CD1 ILE A 12 8.212 -0.318 5.229 1.00 0.00 C ATOM 0 H ILE A 12 5.008 -2.077 1.701 1.00 0.00 H new ATOM 0 HA ILE A 12 5.895 -1.307 4.335 1.00 0.00 H new ATOM 0 HB ILE A 12 7.835 -0.760 2.713 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.127 1.457 4.007 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.610 1.057 4.788 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.642 1.460 1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.511 0.287 0.961 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.917 1.508 2.111 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.525 0.230 6.118 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.548 -1.133 5.520 1.00 0.00 H new ATOM 0 HD13 ILE A 12 9.089 -0.726 4.727 1.00 0.00 H new ATOM 242 N PRO A 13 3.544 -0.547 4.154 1.00 0.00 N ATOM 243 CA PRO A 13 2.266 0.207 4.326 1.00 0.00 C ATOM 244 C PRO A 13 1.248 0.079 3.135 1.00 0.00 C ATOM 245 O PRO A 13 0.712 -0.992 2.846 1.00 0.00 O ATOM 246 CB PRO A 13 1.783 -0.370 5.674 1.00 0.00 C ATOM 247 CG PRO A 13 2.275 -1.819 5.685 1.00 0.00 C ATOM 248 CD PRO A 13 3.642 -1.752 5.004 1.00 0.00 C ATOM 0 HA PRO A 13 2.384 1.291 4.326 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.193 0.192 6.513 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.697 -0.321 5.758 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.354 -2.206 6.701 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.593 -2.476 5.146 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.449 -1.666 5.731 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.840 -2.646 4.412 1.00 0.00 H new ATOM 256 N PRO A 14 0.967 1.212 2.460 1.00 0.00 N ATOM 257 CA PRO A 14 -0.113 1.275 1.440 1.00 0.00 C ATOM 258 C PRO A 14 0.031 0.362 0.175 1.00 0.00 C ATOM 259 O PRO A 14 -0.721 0.484 -0.786 1.00 0.00 O ATOM 260 CB PRO A 14 -0.145 2.792 1.146 1.00 0.00 C ATOM 261 CG PRO A 14 1.262 3.312 1.467 1.00 0.00 C ATOM 262 CD PRO A 14 1.725 2.461 2.651 1.00 0.00 C ATOM 0 HA PRO A 14 -1.050 0.856 1.806 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.404 2.983 0.104 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.896 3.293 1.758 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.930 3.201 0.613 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.245 4.371 1.723 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.801 2.290 2.632 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.495 2.934 3.606 1.00 0.00 H new