USER MOD reduce.3.24.130724 H: found=0, std=0, add=156, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 156 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 Single : A 1 LYS N :NH3+ -167:sc= -1.23 (180deg=-1.68) USER MOD Single : A 1 LYS NZ :NH3+ -172:sc= 0.867 (180deg=0.826) USER MOD Single : A 3 LYS NZ :NH3+ 164:sc= -0.0137 (180deg=-0.218) USER MOD Single : A 6 LYS NZ :NH3+ -159:sc= -0.168 (180deg=-0.434) USER MOD Single : A 7 LYS NZ :NH3+ 177:sc= -0.0319 (180deg=-0.0434) USER MOD Single : A 13 LYS NZ :NH3+ 147:sc= -0.186 (180deg=-0.911) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.789 3.231 0.343 1.00 0.00 N ATOM 2 CA LYS A 1 -7.741 3.423 1.817 1.00 0.00 C ATOM 3 C LYS A 1 -7.630 2.102 2.544 1.00 0.00 C ATOM 4 O LYS A 1 -7.026 2.006 3.611 1.00 0.00 O ATOM 5 CB LYS A 1 -9.000 4.170 2.263 1.00 0.00 C ATOM 6 CG LYS A 1 -10.298 3.427 1.974 1.00 0.00 C ATOM 7 CD LYS A 1 -11.263 4.280 1.163 1.00 0.00 C ATOM 8 CE LYS A 1 -10.685 4.634 -0.198 1.00 0.00 C ATOM 9 NZ LYS A 1 -10.942 3.571 -1.209 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.643 4.145 -0.131 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.041 2.568 0.055 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.716 2.845 0.073 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.855 4.007 2.065 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.935 4.363 3.334 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.030 5.139 1.765 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -10.079 2.508 1.430 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -10.769 3.137 2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -12.203 3.743 1.032 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -11.492 5.194 1.711 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.118 5.573 -0.542 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -9.611 4.793 -0.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -10.418 3.787 -2.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -10.628 2.653 -0.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -11.960 3.529 -1.418 1.00 0.00 H new ATOM 25 N TRP A 2 -8.254 1.102 1.973 1.00 0.00 N ATOM 26 CA TRP A 2 -8.284 -0.235 2.565 1.00 0.00 C ATOM 27 C TRP A 2 -7.112 -1.168 2.164 1.00 0.00 C ATOM 28 O TRP A 2 -6.045 -1.112 2.775 1.00 0.00 O ATOM 29 CB TRP A 2 -9.619 -0.895 2.319 1.00 0.00 C ATOM 30 CG TRP A 2 -10.299 -0.320 1.160 1.00 0.00 C ATOM 31 CD1 TRP A 2 -11.563 0.065 1.049 1.00 0.00 C ATOM 32 CD2 TRP A 2 -9.677 -0.040 -0.043 1.00 0.00 C ATOM 33 NE1 TRP A 2 -11.795 0.513 -0.233 1.00 0.00 N ATOM 34 CE2 TRP A 2 -10.626 0.445 -0.928 1.00 0.00 C ATOM 35 CE3 TRP A 2 -8.394 -0.195 -0.428 1.00 0.00 C ATOM 36 CZ2 TRP A 2 -10.304 0.775 -2.238 1.00 0.00 C ATOM 37 CZ3 TRP A 2 -8.051 0.118 -1.688 1.00 0.00 C ATOM 38 CH2 TRP A 2 -8.998 0.592 -2.611 1.00 0.00 C ATOM 0 H TRP A 2 -8.757 1.179 1.089 1.00 0.00 H new ATOM 0 HA TRP A 2 -8.144 -0.074 3.634 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -9.474 -1.964 2.163 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -10.248 -0.785 3.202 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -12.297 0.032 1.841 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -12.689 0.840 -0.599 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -7.654 -0.565 0.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -11.044 1.156 -2.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -7.023 0.003 -1.999 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -8.694 0.814 -3.623 1.00 0.00 H new ATOM 49 N LYS A 3 -7.310 -2.033 1.145 1.00 0.00 N ATOM 50 CA LYS A 3 -6.279 -2.968 0.696 1.00 0.00 C ATOM 51 C LYS A 3 -5.259 -2.296 -0.204 1.00 0.00 C ATOM 52 O LYS A 3 -4.330 -2.925 -0.706 1.00 0.00 O ATOM 53 CB LYS A 3 -6.914 -4.149 -0.029 1.00 0.00 C ATOM 54 CG LYS A 3 -7.217 -5.332 0.876 1.00 0.00 C ATOM 55 CD LYS A 3 -8.345 -5.015 1.846 1.00 0.00 C ATOM 56 CE LYS A 3 -8.851 -6.269 2.542 1.00 0.00 C ATOM 57 NZ LYS A 3 -7.733 -7.133 3.012 1.00 0.00 N ATOM 0 H LYS A 3 -8.183 -2.096 0.621 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.756 -3.326 1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.839 -3.819 -0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.247 -4.475 -0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.489 -6.196 0.269 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -6.321 -5.604 1.434 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.995 -4.300 2.591 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -9.166 -4.540 1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -9.473 -5.987 3.391 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -9.483 -6.834 1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.093 -7.821 3.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.321 -7.639 2.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.003 -6.543 3.459 1.00 0.00 H new ATOM 71 N LEU A 4 -5.417 -1.008 -0.338 1.00 0.00 N ATOM 72 CA LEU A 4 -4.507 -0.180 -1.106 1.00 0.00 C ATOM 73 C LEU A 4 -3.493 0.343 -0.143 1.00 0.00 C ATOM 74 O LEU A 4 -2.284 0.266 -0.335 1.00 0.00 O ATOM 75 CB LEU A 4 -5.205 1.030 -1.673 1.00 0.00 C ATOM 76 CG LEU A 4 -5.358 1.079 -3.205 1.00 0.00 C ATOM 77 CD1 LEU A 4 -5.583 -0.310 -3.796 1.00 0.00 C ATOM 78 CD2 LEU A 4 -6.490 2.020 -3.594 1.00 0.00 C ATOM 0 H LEU A 4 -6.188 -0.491 0.085 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.088 -0.773 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.198 1.090 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.659 1.919 -1.356 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.425 1.461 -3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.686 -0.233 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.733 -0.949 -3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.491 -0.742 -3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.586 2.044 -4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.423 1.668 -3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.272 3.023 -3.227 1.00 0.00 H new ATOM 90 N PHE A 5 -4.061 0.839 0.933 1.00 0.00 N ATOM 91 CA PHE A 5 -3.339 1.363 2.053 1.00 0.00 C ATOM 92 C PHE A 5 -2.331 0.326 2.475 1.00 0.00 C ATOM 93 O PHE A 5 -1.199 0.619 2.860 1.00 0.00 O ATOM 94 CB PHE A 5 -4.369 1.607 3.133 1.00 0.00 C ATOM 95 CG PHE A 5 -4.269 2.961 3.773 1.00 0.00 C ATOM 96 CD1 PHE A 5 -3.803 3.095 5.072 1.00 0.00 C ATOM 97 CD2 PHE A 5 -4.628 4.101 3.074 1.00 0.00 C ATOM 98 CE1 PHE A 5 -3.698 4.340 5.661 1.00 0.00 C ATOM 99 CE2 PHE A 5 -4.528 5.350 3.658 1.00 0.00 C ATOM 100 CZ PHE A 5 -4.061 5.469 4.953 1.00 0.00 C ATOM 0 H PHE A 5 -5.073 0.887 1.049 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.805 2.287 1.833 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.365 1.491 2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.262 0.843 3.903 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.519 2.215 5.630 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.990 4.013 2.060 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.333 4.430 6.673 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.814 6.231 3.103 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.980 6.444 5.411 1.00 0.00 H new ATOM 110 N LYS A 6 -2.781 -0.902 2.332 1.00 0.00 N ATOM 111 CA LYS A 6 -2.000 -2.063 2.618 1.00 0.00 C ATOM 112 C LYS A 6 -1.001 -2.277 1.489 1.00 0.00 C ATOM 113 O LYS A 6 0.070 -2.850 1.690 1.00 0.00 O ATOM 114 CB LYS A 6 -2.932 -3.269 2.783 1.00 0.00 C ATOM 115 CG LYS A 6 -3.154 -4.083 1.513 1.00 0.00 C ATOM 116 CD LYS A 6 -2.380 -5.391 1.546 1.00 0.00 C ATOM 117 CE LYS A 6 -2.473 -6.127 0.219 1.00 0.00 C ATOM 118 NZ LYS A 6 -1.301 -5.848 -0.656 1.00 0.00 N ATOM 0 H LYS A 6 -3.724 -1.115 2.005 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.444 -1.936 3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.522 -3.925 3.551 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.898 -2.917 3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.217 -4.291 1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.845 -3.498 0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.334 -5.190 1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.769 -6.025 2.343 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.541 -7.199 0.403 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.388 -5.833 -0.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.548 -6.056 -1.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.034 -4.847 -0.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.501 -6.446 -0.366 1.00 0.00 H new ATOM 132 N LYS A 7 -1.356 -1.788 0.292 1.00 0.00 N ATOM 133 CA LYS A 7 -0.478 -1.909 -0.862 1.00 0.00 C ATOM 134 C LYS A 7 0.458 -0.730 -0.941 1.00 0.00 C ATOM 135 O LYS A 7 1.421 -0.735 -1.709 1.00 0.00 O ATOM 136 CB LYS A 7 -1.289 -2.035 -2.153 1.00 0.00 C ATOM 137 CG LYS A 7 -0.446 -2.372 -3.372 1.00 0.00 C ATOM 138 CD LYS A 7 0.200 -3.741 -3.241 1.00 0.00 C ATOM 139 CE LYS A 7 1.627 -3.638 -2.727 1.00 0.00 C ATOM 140 NZ LYS A 7 2.097 -4.919 -2.132 1.00 0.00 N ATOM 0 H LYS A 7 -2.238 -1.311 0.107 1.00 0.00 H new ATOM 0 HA LYS A 7 0.115 -2.815 -0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.047 -2.807 -2.022 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.816 -1.098 -2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.070 -2.347 -4.265 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.327 -1.615 -3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.388 -4.358 -2.562 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.197 -4.240 -4.210 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.288 -3.354 -3.546 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.687 -2.847 -1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.090 -4.822 -1.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.513 -5.152 -1.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.016 -5.679 -2.837 1.00 0.00 H new ATOM 154 N ILE A 8 0.192 0.274 -0.130 1.00 0.00 N ATOM 155 CA ILE A 8 1.035 1.440 -0.121 1.00 0.00 C ATOM 156 C ILE A 8 2.117 1.309 0.935 1.00 0.00 C ATOM 157 O ILE A 8 3.221 1.830 0.784 1.00 0.00 O ATOM 158 CB ILE A 8 0.215 2.736 0.085 1.00 0.00 C ATOM 159 CG1 ILE A 8 -0.466 3.141 -1.223 1.00 0.00 C ATOM 160 CG2 ILE A 8 1.094 3.871 0.599 1.00 0.00 C ATOM 161 CD1 ILE A 8 -1.340 4.369 -1.096 1.00 0.00 C ATOM 0 H ILE A 8 -0.592 0.302 0.522 1.00 0.00 H new ATOM 0 HA ILE A 8 1.513 1.510 -1.098 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.548 2.538 0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.298 3.325 -1.978 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.073 2.309 -1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.489 4.768 0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.536 3.585 1.553 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.886 4.073 -0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.790 4.597 -2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.126 4.182 -0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.734 5.214 -0.770 1.00 0.00 H new ATOM 173 N GLY A 9 1.797 0.579 1.982 1.00 0.00 N ATOM 174 CA GLY A 9 2.754 0.351 3.042 1.00 0.00 C ATOM 175 C GLY A 9 3.828 -0.620 2.601 1.00 0.00 C ATOM 176 O GLY A 9 4.991 -0.515 2.991 1.00 0.00 O ATOM 0 H GLY A 9 0.889 0.136 2.121 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.211 1.296 3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.242 -0.041 3.921 1.00 0.00 H new ATOM 180 N ALA A 10 3.448 -1.570 1.766 1.00 0.00 N ATOM 181 CA ALA A 10 4.410 -2.534 1.286 1.00 0.00 C ATOM 182 C ALA A 10 5.343 -1.887 0.296 1.00 0.00 C ATOM 183 O ALA A 10 6.517 -2.237 0.229 1.00 0.00 O ATOM 184 CB ALA A 10 3.737 -3.754 0.685 1.00 0.00 C ATOM 0 H ALA A 10 2.498 -1.691 1.414 1.00 0.00 H new ATOM 0 HA ALA A 10 4.991 -2.881 2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.497 -4.454 0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.118 -4.237 1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.112 -3.448 -0.154 1.00 0.00 H new ATOM 190 N VAL A 11 4.851 -0.904 -0.446 1.00 0.00 N ATOM 191 CA VAL A 11 5.722 -0.206 -1.370 1.00 0.00 C ATOM 192 C VAL A 11 6.901 0.330 -0.577 1.00 0.00 C ATOM 193 O VAL A 11 8.030 0.383 -1.061 1.00 0.00 O ATOM 194 CB VAL A 11 5.008 0.945 -2.095 1.00 0.00 C ATOM 195 CG1 VAL A 11 5.969 1.656 -3.032 1.00 0.00 C ATOM 196 CG2 VAL A 11 3.796 0.420 -2.846 1.00 0.00 C ATOM 0 H VAL A 11 3.883 -0.582 -0.427 1.00 0.00 H new ATOM 0 HA VAL A 11 6.047 -0.903 -2.143 1.00 0.00 H new ATOM 0 HB VAL A 11 4.662 1.669 -1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.449 2.469 -3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.803 2.060 -2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.345 0.950 -3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.298 1.245 -3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.115 -0.320 -3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.104 -0.042 -2.142 1.00 0.00 H new ATOM 206 N LEU A 12 6.621 0.657 0.683 1.00 0.00 N ATOM 207 CA LEU A 12 7.639 1.113 1.611 1.00 0.00 C ATOM 208 C LEU A 12 8.767 0.100 1.618 1.00 0.00 C ATOM 209 O LEU A 12 9.945 0.438 1.733 1.00 0.00 O ATOM 210 CB LEU A 12 7.040 1.188 3.010 1.00 0.00 C ATOM 211 CG LEU A 12 6.004 2.296 3.216 1.00 0.00 C ATOM 212 CD1 LEU A 12 5.509 2.302 4.654 1.00 0.00 C ATOM 213 CD2 LEU A 12 6.592 3.649 2.847 1.00 0.00 C ATOM 0 H LEU A 12 5.684 0.612 1.083 1.00 0.00 H new ATOM 0 HA LEU A 12 8.008 2.094 1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.575 0.230 3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.848 1.330 3.727 1.00 0.00 H new ATOM 0 HG LEU A 12 5.154 2.100 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.773 3.096 4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.050 1.341 4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.349 2.474 5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.842 4.425 2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.458 3.853 3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.897 3.640 1.801 1.00 0.00 H new ATOM 225 N LYS A 13 8.363 -1.155 1.477 1.00 0.00 N ATOM 226 CA LYS A 13 9.283 -2.276 1.450 1.00 0.00 C ATOM 227 C LYS A 13 9.972 -2.352 0.099 1.00 0.00 C ATOM 228 O LYS A 13 11.163 -2.650 0.001 1.00 0.00 O ATOM 229 CB LYS A 13 8.521 -3.574 1.704 1.00 0.00 C ATOM 230 CG LYS A 13 7.940 -3.678 3.105 1.00 0.00 C ATOM 231 CD LYS A 13 9.015 -3.985 4.135 1.00 0.00 C ATOM 232 CE LYS A 13 9.300 -2.782 5.021 1.00 0.00 C ATOM 233 NZ LYS A 13 8.072 -2.299 5.712 1.00 0.00 N ATOM 0 H LYS A 13 7.383 -1.422 1.378 1.00 0.00 H new ATOM 0 HA LYS A 13 10.033 -2.135 2.228 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.712 -3.658 0.978 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.191 -4.417 1.535 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.444 -2.743 3.364 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.180 -4.459 3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.699 -4.826 4.752 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.930 -4.289 3.627 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.053 -3.047 5.763 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.717 -1.977 4.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.326 -1.919 6.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.625 -1.551 5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.406 -3.089 5.829 1.00 0.00 H new ATOM 247 N VAL A 14 9.196 -2.078 -0.938 1.00 0.00 N ATOM 248 CA VAL A 14 9.678 -2.104 -2.299 1.00 0.00 C ATOM 249 C VAL A 14 10.502 -0.856 -2.609 1.00 0.00 C ATOM 250 O VAL A 14 11.130 -0.749 -3.662 1.00 0.00 O ATOM 251 CB VAL A 14 8.479 -2.227 -3.268 1.00 0.00 C ATOM 252 CG1 VAL A 14 8.649 -1.356 -4.508 1.00 0.00 C ATOM 253 CG2 VAL A 14 8.264 -3.680 -3.662 1.00 0.00 C ATOM 0 H VAL A 14 8.210 -1.831 -0.853 1.00 0.00 H new ATOM 0 HA VAL A 14 10.329 -2.968 -2.428 1.00 0.00 H new ATOM 0 HB VAL A 14 7.596 -1.866 -2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.783 -1.476 -5.158 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.737 -0.311 -4.210 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.549 -1.657 -5.044 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.417 -3.750 -4.344 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.159 -4.060 -4.155 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.062 -4.273 -2.770 1.00 0.00 H new ATOM 263 N LEU A 15 10.484 0.084 -1.674 1.00 0.00 N ATOM 264 CA LEU A 15 11.208 1.335 -1.815 1.00 0.00 C ATOM 265 C LEU A 15 12.660 1.183 -1.373 1.00 0.00 C ATOM 266 O LEU A 15 12.898 1.073 -0.151 1.00 0.00 O ATOM 267 CB LEU A 15 10.508 2.411 -0.987 1.00 0.00 C ATOM 268 CG LEU A 15 10.158 3.691 -1.748 1.00 0.00 C ATOM 269 CD1 LEU A 15 8.811 4.231 -1.293 1.00 0.00 C ATOM 270 CD2 LEU A 15 11.246 4.737 -1.558 1.00 0.00 C ATOM 271 OXT LEU A 15 13.548 1.173 -2.252 1.00 0.00 O ATOM 0 H LEU A 15 9.967 -0.001 -0.799 1.00 0.00 H new ATOM 0 HA LEU A 15 11.214 1.625 -2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.591 1.990 -0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.147 2.672 -0.144 1.00 0.00 H new ATOM 0 HG LEU A 15 10.091 3.454 -2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.579 5.142 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.038 3.486 -1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.849 4.453 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.981 5.641 -2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.345 4.971 -0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.193 4.349 -1.934 1.00 0.00 H new TER 283 LEU A 15