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 H3 : A 1 ARG N : A 14 PRO C :(NH2R) USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.39 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.145 -0.352 0.009 1.00 0.00 N ATOM 2 CA ARG A 1 1.239 -1.800 -0.028 1.00 0.00 C ATOM 3 C ARG A 1 2.087 -2.248 -1.221 1.00 0.00 C ATOM 4 O ARG A 1 1.633 -3.034 -2.050 1.00 0.00 O ATOM 5 CB ARG A 1 -0.147 -2.441 -0.128 1.00 0.00 C ATOM 6 CG ARG A 1 -0.695 -2.781 1.259 1.00 0.00 C ATOM 7 CD ARG A 1 -2.225 -2.766 1.263 1.00 0.00 C ATOM 8 NE ARG A 1 -2.744 -3.956 0.551 1.00 0.00 N ATOM 9 CZ ARG A 1 -4.025 -4.347 0.577 1.00 0.00 C ATOM 10 NH1 ARG A 1 -4.926 -3.645 1.278 1.00 0.00 N ATOM 11 NH2 ARG A 1 -4.406 -5.440 -0.099 1.00 0.00 N ATOM 0 H2 ARG A 1 0.567 -0.062 0.823 1.00 0.00 H new ATOM 0 HA ARG A 1 1.711 -2.124 0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -0.830 -1.761 -0.636 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -0.090 -3.346 -0.732 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -0.337 -3.764 1.565 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -0.319 -2.064 1.988 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -2.594 -2.756 2.288 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -2.589 -1.857 0.784 1.00 0.00 H new ATOM 0 HE ARG A 1 -2.085 -4.513 0.007 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -4.636 -2.813 1.792 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -5.901 -3.943 1.298 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -3.721 -5.974 -0.633 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -5.381 -5.738 -0.079 1.00 0.00 H new ATOM 25 N VAL A 2 3.303 -1.725 -1.271 1.00 0.00 N ATOM 26 CA VAL A 2 4.218 -2.059 -2.348 1.00 0.00 C ATOM 27 C VAL A 2 5.540 -1.316 -2.140 1.00 0.00 C ATOM 28 O VAL A 2 5.545 -0.113 -1.882 1.00 0.00 O ATOM 29 CB VAL A 2 3.568 -1.755 -3.700 1.00 0.00 C ATOM 30 CG1 VAL A 2 4.584 -1.154 -4.674 1.00 0.00 C ATOM 31 CG2 VAL A 2 2.917 -3.007 -4.291 1.00 0.00 C ATOM 0 H VAL A 2 3.676 -1.072 -0.582 1.00 0.00 H new ATOM 0 HA VAL A 2 4.441 -3.126 -2.341 1.00 0.00 H new ATOM 0 HB VAL A 2 2.784 -1.016 -3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 2 4.096 -0.947 -5.627 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.980 -0.227 -4.260 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.400 -1.859 -4.830 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.463 -2.762 -5.251 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.674 -3.778 -4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.149 -3.374 -3.610 1.00 0.00 H new ATOM 41 N ARG A 3 6.627 -2.063 -2.259 1.00 0.00 N ATOM 42 CA ARG A 3 7.951 -1.491 -2.086 1.00 0.00 C ATOM 43 C ARG A 3 8.952 -2.176 -3.017 1.00 0.00 C ATOM 44 O ARG A 3 8.765 -3.334 -3.392 1.00 0.00 O ATOM 45 CB ARG A 3 8.429 -1.634 -0.639 1.00 0.00 C ATOM 46 CG ARG A 3 9.578 -0.669 -0.344 1.00 0.00 C ATOM 47 CD ARG A 3 10.225 -0.984 1.007 1.00 0.00 C ATOM 48 NE ARG A 3 11.697 -1.034 0.864 1.00 0.00 N ATOM 49 CZ ARG A 3 12.553 -1.034 1.895 1.00 0.00 C ATOM 50 NH1 ARG A 3 12.088 -0.985 3.151 1.00 0.00 N ATOM 51 NH2 ARG A 3 13.873 -1.082 1.670 1.00 0.00 N ATOM 0 H ARG A 3 6.618 -3.060 -2.473 1.00 0.00 H new ATOM 0 HA ARG A 3 7.888 -0.431 -2.332 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.601 -1.438 0.042 1.00 0.00 H new ATOM 0 HB3 ARG A 3 8.755 -2.659 -0.459 1.00 0.00 H new ATOM 0 HG2 ARG A 3 10.326 -0.736 -1.134 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.206 0.356 -0.343 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.948 -0.224 1.738 1.00 0.00 H new ATOM 0 HD3 ARG A 3 9.855 -1.938 1.383 1.00 0.00 H new ATOM 0 HE ARG A 3 12.085 -1.071 -0.079 1.00 0.00 H new ATOM 0 HH11 ARG A 3 11.083 -0.948 3.322 1.00 0.00 H new ATOM 0 HH12 ARG A 3 12.739 -0.985 3.936 1.00 0.00 H new ATOM 0 HH21 ARG A 3 14.226 -1.119 0.714 1.00 0.00 H new ATOM 0 HH22 ARG A 3 14.524 -1.082 2.455 1.00 0.00 H new ATOM 65 N THR A 4 9.993 -1.435 -3.365 1.00 0.00 N ATOM 66 CA THR A 4 11.024 -1.957 -4.246 1.00 0.00 C ATOM 67 C THR A 4 12.406 -1.498 -3.780 1.00 0.00 C ATOM 68 O THR A 4 12.567 -0.370 -3.317 1.00 0.00 O ATOM 69 CB THR A 4 10.690 -1.522 -5.675 1.00 0.00 C ATOM 70 OG1 THR A 4 9.272 -1.644 -5.752 1.00 0.00 O ATOM 71 CG2 THR A 4 11.206 -2.510 -6.723 1.00 0.00 C ATOM 0 H THR A 4 10.145 -0.476 -3.053 1.00 0.00 H new ATOM 0 HA THR A 4 11.052 -3.046 -4.220 1.00 0.00 H new ATOM 0 HB THR A 4 11.116 -0.537 -5.864 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.969 -1.380 -6.646 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.943 -2.154 -7.719 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.290 -2.593 -6.642 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.754 -3.487 -6.555 1.00 0.00 H new ATOM 79 N ARG A 5 13.371 -2.397 -3.918 1.00 0.00 N ATOM 80 CA ARG A 5 14.734 -2.100 -3.516 1.00 0.00 C ATOM 81 C ARG A 5 15.671 -3.236 -3.933 1.00 0.00 C ATOM 82 O ARG A 5 15.241 -4.380 -4.070 1.00 0.00 O ATOM 83 CB ARG A 5 14.832 -1.897 -2.003 1.00 0.00 C ATOM 84 CG ARG A 5 16.204 -1.348 -1.610 1.00 0.00 C ATOM 85 CD ARG A 5 17.089 -2.451 -1.026 1.00 0.00 C ATOM 86 NE ARG A 5 18.510 -2.038 -1.073 1.00 0.00 N ATOM 87 CZ ARG A 5 19.506 -2.704 -0.472 1.00 0.00 C ATOM 88 NH1 ARG A 5 19.242 -3.818 0.224 1.00 0.00 N ATOM 89 NH2 ARG A 5 20.765 -2.256 -0.569 1.00 0.00 N ATOM 0 H ARG A 5 13.234 -3.332 -4.303 1.00 0.00 H new ATOM 0 HA ARG A 5 15.032 -1.177 -4.014 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.053 -1.209 -1.674 1.00 0.00 H new ATOM 0 HB3 ARG A 5 14.656 -2.844 -1.493 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.689 -0.912 -2.483 1.00 0.00 H new ATOM 0 HG3 ARG A 5 16.084 -0.548 -0.879 1.00 0.00 H new ATOM 0 HD2 ARG A 5 16.796 -2.657 0.003 1.00 0.00 H new ATOM 0 HD3 ARG A 5 16.951 -3.375 -1.588 1.00 0.00 H new ATOM 0 HE ARG A 5 18.746 -1.194 -1.595 1.00 0.00 H new ATOM 0 HH11 ARG A 5 18.283 -4.159 0.296 1.00 0.00 H new ATOM 0 HH12 ARG A 5 20.000 -4.325 0.681 1.00 0.00 H new ATOM 0 HH21 ARG A 5 20.965 -1.408 -1.100 1.00 0.00 H new ATOM 0 HH22 ARG A 5 21.523 -2.762 -0.112 1.00 0.00 H new ATOM 103 N LYS A 6 16.932 -2.879 -4.124 1.00 0.00 N ATOM 104 CA LYS A 6 17.933 -3.855 -4.523 1.00 0.00 C ATOM 105 C LYS A 6 17.354 -4.755 -5.615 1.00 0.00 C ATOM 106 O LYS A 6 17.432 -5.980 -5.522 1.00 0.00 O ATOM 107 CB LYS A 6 18.449 -4.622 -3.304 1.00 0.00 C ATOM 108 CG LYS A 6 19.724 -5.397 -3.642 1.00 0.00 C ATOM 109 CD LYS A 6 20.039 -6.435 -2.563 1.00 0.00 C ATOM 110 CE LYS A 6 21.379 -7.121 -2.835 1.00 0.00 C ATOM 111 NZ LYS A 6 22.495 -6.307 -2.305 1.00 0.00 N ATOM 0 H LYS A 6 17.284 -1.928 -4.010 1.00 0.00 H new ATOM 0 HA LYS A 6 18.803 -3.356 -4.949 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.648 -3.926 -2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.682 -5.312 -2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 6 19.607 -5.893 -4.605 1.00 0.00 H new ATOM 0 HG3 LYS A 6 20.560 -4.704 -3.740 1.00 0.00 H new ATOM 0 HD2 LYS A 6 20.065 -5.952 -1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.245 -7.181 -2.529 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.389 -8.108 -2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.507 -7.270 -3.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 23.397 -6.787 -2.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.494 -5.374 -2.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 22.380 -6.186 -1.278 1.00 0.00 H new ATOM 125 N GLY A 7 16.787 -4.114 -6.626 1.00 0.00 N ATOM 126 CA GLY A 7 16.195 -4.842 -7.736 1.00 0.00 C ATOM 127 C GLY A 7 15.365 -6.026 -7.236 1.00 0.00 C ATOM 128 O GLY A 7 15.378 -7.098 -7.838 1.00 0.00 O ATOM 0 H GLY A 7 16.725 -3.099 -6.700 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.564 -4.172 -8.320 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.981 -5.200 -8.401 1.00 0.00 H new ATOM 132 N ARG A 8 14.661 -5.790 -6.138 1.00 0.00 N ATOM 133 CA ARG A 8 13.826 -6.824 -5.549 1.00 0.00 C ATOM 134 C ARG A 8 12.467 -6.244 -5.150 1.00 0.00 C ATOM 135 O ARG A 8 12.308 -5.027 -5.064 1.00 0.00 O ATOM 136 CB ARG A 8 14.493 -7.435 -4.316 1.00 0.00 C ATOM 137 CG ARG A 8 15.739 -8.233 -4.706 1.00 0.00 C ATOM 138 CD ARG A 8 15.474 -9.738 -4.631 1.00 0.00 C ATOM 139 NE ARG A 8 16.747 -10.483 -4.748 1.00 0.00 N ATOM 140 CZ ARG A 8 17.675 -10.540 -3.784 1.00 0.00 C ATOM 141 NH1 ARG A 8 17.479 -9.897 -2.625 1.00 0.00 N ATOM 142 NH2 ARG A 8 18.801 -11.241 -3.978 1.00 0.00 N ATOM 0 H ARG A 8 14.652 -4.899 -5.641 1.00 0.00 H new ATOM 0 HA ARG A 8 13.687 -7.605 -6.297 1.00 0.00 H new ATOM 0 HB2 ARG A 8 14.767 -6.645 -3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 8 13.786 -8.086 -3.801 1.00 0.00 H new ATOM 0 HG2 ARG A 8 16.045 -7.964 -5.717 1.00 0.00 H new ATOM 0 HG3 ARG A 8 16.564 -7.972 -4.043 1.00 0.00 H new ATOM 0 HD2 ARG A 8 14.985 -9.983 -3.688 1.00 0.00 H new ATOM 0 HD3 ARG A 8 14.794 -10.036 -5.429 1.00 0.00 H new ATOM 0 HE ARG A 8 16.929 -10.985 -5.617 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.622 -9.364 -2.476 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.186 -9.941 -1.891 1.00 0.00 H new ATOM 0 HH21 ARG A 8 18.951 -11.731 -4.860 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.508 -11.284 -3.244 1.00 0.00 H new ATOM 156 N ARG A 9 11.521 -7.143 -4.916 1.00 0.00 N ATOM 157 CA ARG A 9 10.182 -6.737 -4.529 1.00 0.00 C ATOM 158 C ARG A 9 10.036 -6.773 -3.006 1.00 0.00 C ATOM 159 O ARG A 9 10.405 -7.757 -2.366 1.00 0.00 O ATOM 160 CB ARG A 9 9.126 -7.649 -5.156 1.00 0.00 C ATOM 161 CG ARG A 9 7.757 -7.426 -4.512 1.00 0.00 C ATOM 162 CD ARG A 9 7.572 -8.328 -3.290 1.00 0.00 C ATOM 163 NE ARG A 9 6.261 -9.011 -3.357 1.00 0.00 N ATOM 164 CZ ARG A 9 5.920 -10.059 -2.596 1.00 0.00 C ATOM 165 NH1 ARG A 9 6.790 -10.552 -1.704 1.00 0.00 N ATOM 166 NH2 ARG A 9 4.707 -10.615 -2.725 1.00 0.00 N ATOM 0 H ARG A 9 11.657 -8.151 -4.987 1.00 0.00 H new ATOM 0 HA ARG A 9 10.028 -5.720 -4.889 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.064 -7.456 -6.227 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.423 -8.691 -5.036 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.656 -6.382 -4.216 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.971 -7.628 -5.240 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.373 -9.066 -3.248 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.636 -7.735 -2.378 1.00 0.00 H new ATOM 0 HE ARG A 9 5.574 -8.662 -4.025 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.713 -10.129 -1.604 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.529 -11.350 -1.125 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.044 -10.240 -3.403 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.448 -11.413 -2.145 1.00 0.00 H new ATOM 180 N ILE A 10 9.498 -5.687 -2.469 1.00 0.00 N ATOM 181 CA ILE A 10 9.299 -5.582 -1.034 1.00 0.00 C ATOM 182 C ILE A 10 7.960 -4.897 -0.758 1.00 0.00 C ATOM 183 O ILE A 10 7.317 -4.390 -1.675 1.00 0.00 O ATOM 184 CB ILE A 10 10.494 -4.886 -0.377 1.00 0.00 C ATOM 185 CG1 ILE A 10 11.805 -5.291 -1.053 1.00 0.00 C ATOM 186 CG2 ILE A 10 10.521 -5.149 1.130 1.00 0.00 C ATOM 187 CD1 ILE A 10 12.108 -4.386 -2.248 1.00 0.00 C ATOM 0 H ILE A 10 9.194 -4.873 -3.002 1.00 0.00 H new ATOM 0 HA ILE A 10 9.249 -6.573 -0.583 1.00 0.00 H new ATOM 0 HB ILE A 10 10.380 -3.811 -0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.622 -5.235 -0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.743 -6.328 -1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.379 -4.643 1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.604 -4.770 1.582 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.598 -6.221 1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.045 -4.696 -2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.301 -4.463 -2.977 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.194 -3.353 -1.910 1.00 0.00 H new ATOM 199 N ARG A 11 7.579 -4.904 0.512 1.00 0.00 N ATOM 200 CA ARG A 11 6.327 -4.289 0.920 1.00 0.00 C ATOM 201 C ARG A 11 6.587 -3.190 1.953 1.00 0.00 C ATOM 202 O ARG A 11 7.434 -3.347 2.832 1.00 0.00 O ATOM 203 CB ARG A 11 5.374 -5.326 1.518 1.00 0.00 C ATOM 204 CG ARG A 11 3.916 -4.953 1.245 1.00 0.00 C ATOM 205 CD ARG A 11 2.960 -5.904 1.969 1.00 0.00 C ATOM 206 NE ARG A 11 1.865 -6.310 1.061 1.00 0.00 N ATOM 207 CZ ARG A 11 0.998 -7.297 1.323 1.00 0.00 C ATOM 208 NH1 ARG A 11 1.094 -7.986 2.468 1.00 0.00 N ATOM 209 NH2 ARG A 11 0.036 -7.596 0.440 1.00 0.00 N ATOM 0 H ARG A 11 8.115 -5.325 1.271 1.00 0.00 H new ATOM 0 HA ARG A 11 5.865 -3.856 0.033 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.587 -6.308 1.095 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.539 -5.400 2.593 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.732 -3.929 1.571 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.724 -4.985 0.173 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.502 -6.784 2.314 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.549 -5.416 2.853 1.00 0.00 H new ATOM 0 HE ARG A 11 1.764 -5.807 0.180 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.827 -7.759 3.140 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.434 -8.738 2.668 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.036 -7.072 -0.432 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.624 -8.348 0.640 1.00 0.00 H new ATOM 223 N ILE A 12 5.844 -2.103 1.812 1.00 0.00 N ATOM 224 CA ILE A 12 5.984 -0.978 2.721 1.00 0.00 C ATOM 225 C ILE A 12 4.803 -0.024 2.531 1.00 0.00 C ATOM 226 O ILE A 12 4.232 0.152 1.454 1.00 0.00 O ATOM 227 CB ILE A 12 7.349 -0.310 2.541 1.00 0.00 C ATOM 228 CG1 ILE A 12 7.899 0.184 3.881 1.00 0.00 C ATOM 229 CG2 ILE A 12 7.278 0.811 1.503 1.00 0.00 C ATOM 230 CD1 ILE A 12 8.118 -0.983 4.847 1.00 0.00 C ATOM 0 H ILE A 12 5.143 -1.977 1.082 1.00 0.00 H new ATOM 0 HA ILE A 12 5.956 -1.319 3.756 1.00 0.00 H new ATOM 0 HB ILE A 12 8.047 -1.056 2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.840 0.710 3.720 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.205 0.900 4.321 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.261 1.269 1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.961 0.400 0.545 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.561 1.564 1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.509 -0.605 5.792 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.170 -1.491 5.024 1.00 0.00 H new ATOM 0 HD13 ILE A 12 8.831 -1.685 4.414 1.00 0.00 H new ATOM 242 N PRO A 13 4.411 0.635 3.653 1.00 0.00 N ATOM 243 CA PRO A 13 3.390 1.727 3.624 1.00 0.00 C ATOM 244 C PRO A 13 2.031 1.354 2.929 1.00 0.00 C ATOM 245 O PRO A 13 1.185 0.650 3.483 1.00 0.00 O ATOM 246 CB PRO A 13 3.296 2.056 5.129 1.00 0.00 C ATOM 247 CG PRO A 13 3.536 0.723 5.845 1.00 0.00 C ATOM 248 CD PRO A 13 4.597 0.030 4.990 1.00 0.00 C ATOM 0 HA PRO A 13 3.664 2.578 3.001 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.040 2.798 5.418 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.320 2.469 5.382 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.884 0.876 6.867 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.622 0.132 5.904 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.601 0.207 5.375 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.451 -1.050 4.966 1.00 0.00 H new ATOM 256 N PRO A 14 1.824 1.870 1.701 1.00 0.00 N ATOM 257 CA PRO A 14 0.512 1.756 1.010 1.00 0.00 C ATOM 258 C PRO A 14 0.086 0.340 0.491 1.00 0.00 C ATOM 259 O PRO A 14 -0.916 -0.219 0.922 1.00 0.00 O ATOM 260 CB PRO A 14 0.670 2.830 -0.090 1.00 0.00 C ATOM 261 CG PRO A 14 2.179 2.949 -0.347 1.00 0.00 C ATOM 262 CD PRO A 14 2.820 2.717 1.022 1.00 0.00 C ATOM 0 HA PRO A 14 -0.326 1.911 1.690 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.141 2.540 -0.998 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.252 3.784 0.232 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.517 2.211 -1.074 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.438 3.930 -0.745 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.786 2.220 0.939 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.988 3.653 1.555 1.00 0.00 H new