USER MOD reduce.3.24.130724 H: found=0, std=0, add=156, rem=0, adj=3 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+ -123:sc= 0.636 (180deg=-1.61) USER MOD Single : A 1 LYS NZ :NH3+ -166:sc=-0.00181 (180deg=-0.113) USER MOD Single : A 3 LYS NZ :NH3+ 160:sc= -0.014 (180deg=-0.153) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.257 3.791 2.895 1.00 0.00 N ATOM 2 CA LYS A 1 -6.357 3.210 4.261 1.00 0.00 C ATOM 3 C LYS A 1 -6.713 1.739 4.208 1.00 0.00 C ATOM 4 O LYS A 1 -6.284 0.943 5.042 1.00 0.00 O ATOM 5 CB LYS A 1 -7.415 3.986 5.049 1.00 0.00 C ATOM 6 CG LYS A 1 -8.841 3.724 4.589 1.00 0.00 C ATOM 7 CD LYS A 1 -9.839 4.576 5.354 1.00 0.00 C ATOM 8 CE LYS A 1 -11.188 4.616 4.656 1.00 0.00 C ATOM 9 NZ LYS A 1 -11.153 5.454 3.426 1.00 0.00 N ATOM 0 H1 LYS A 1 -5.314 4.209 2.764 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.405 3.043 2.188 1.00 0.00 H new ATOM 0 H3 LYS A 1 -6.982 4.527 2.777 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.389 3.293 4.755 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.331 3.727 6.104 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -7.207 5.053 4.965 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -8.925 3.933 3.523 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.081 2.670 4.726 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -9.961 4.179 6.362 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -9.451 5.589 5.456 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.492 3.602 4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -11.940 5.008 5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -12.125 5.651 3.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -10.666 6.350 3.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -10.643 4.947 2.675 1.00 0.00 H new ATOM 25 N TRP A 2 -7.545 1.411 3.256 1.00 0.00 N ATOM 26 CA TRP A 2 -8.053 0.055 3.100 1.00 0.00 C ATOM 27 C TRP A 2 -7.115 -1.017 2.492 1.00 0.00 C ATOM 28 O TRP A 2 -6.223 -1.512 3.180 1.00 0.00 O ATOM 29 CB TRP A 2 -9.407 0.060 2.405 1.00 0.00 C ATOM 30 CG TRP A 2 -9.627 1.296 1.653 1.00 0.00 C ATOM 31 CD1 TRP A 2 -10.737 2.014 1.573 1.00 0.00 C ATOM 32 CD2 TRP A 2 -8.643 1.971 0.942 1.00 0.00 C ATOM 33 NE1 TRP A 2 -10.528 3.108 0.763 1.00 0.00 N ATOM 34 CE2 TRP A 2 -9.216 3.100 0.368 1.00 0.00 C ATOM 35 CE3 TRP A 2 -7.327 1.684 0.745 1.00 0.00 C ATOM 36 CZ2 TRP A 2 -8.477 3.971 -0.425 1.00 0.00 C ATOM 37 CZ3 TRP A 2 -6.584 2.524 -0.013 1.00 0.00 C ATOM 38 CH2 TRP A 2 -7.151 3.666 -0.606 1.00 0.00 C ATOM 0 H TRP A 2 -7.896 2.070 2.561 1.00 0.00 H new ATOM 0 HA TRP A 2 -8.143 -0.282 4.133 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -9.472 -0.793 1.729 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -10.197 -0.060 3.147 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -11.667 1.777 2.069 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -11.228 3.803 0.503 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -6.884 0.803 1.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -8.924 4.844 -0.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -5.536 2.313 -0.165 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -6.534 4.312 -1.213 1.00 0.00 H new ATOM 49 N LYS A 3 -7.362 -1.433 1.231 1.00 0.00 N ATOM 50 CA LYS A 3 -6.584 -2.509 0.607 1.00 0.00 C ATOM 51 C LYS A 3 -5.398 -1.996 -0.153 1.00 0.00 C ATOM 52 O LYS A 3 -4.506 -2.745 -0.546 1.00 0.00 O ATOM 53 CB LYS A 3 -7.473 -3.357 -0.305 1.00 0.00 C ATOM 54 CG LYS A 3 -8.717 -3.891 0.385 1.00 0.00 C ATOM 55 CD LYS A 3 -8.395 -5.087 1.265 1.00 0.00 C ATOM 56 CE LYS A 3 -8.251 -4.684 2.723 1.00 0.00 C ATOM 57 NZ LYS A 3 -9.560 -4.310 3.328 1.00 0.00 N ATOM 0 H LYS A 3 -8.090 -1.039 0.634 1.00 0.00 H new ATOM 0 HA LYS A 3 -6.202 -3.131 1.416 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.773 -2.758 -1.165 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.892 -4.196 -0.688 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -9.166 -3.103 0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.455 -4.177 -0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -9.184 -5.833 1.169 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.471 -5.554 0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.813 -5.508 3.286 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.562 -3.843 2.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.494 -4.371 4.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.804 -3.337 3.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -10.297 -4.960 2.989 1.00 0.00 H new ATOM 71 N LEU A 4 -5.375 -0.721 -0.308 1.00 0.00 N ATOM 72 CA LEU A 4 -4.275 -0.067 -0.962 1.00 0.00 C ATOM 73 C LEU A 4 -3.343 0.475 0.097 1.00 0.00 C ATOM 74 O LEU A 4 -2.143 0.586 -0.122 1.00 0.00 O ATOM 75 CB LEU A 4 -4.741 1.044 -1.855 1.00 0.00 C ATOM 76 CG LEU A 4 -4.493 0.834 -3.350 1.00 0.00 C ATOM 77 CD1 LEU A 4 -5.738 0.279 -4.025 1.00 0.00 C ATOM 78 CD2 LEU A 4 -4.065 2.138 -4.008 1.00 0.00 C ATOM 0 H LEU A 4 -6.113 -0.093 0.011 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.759 -0.791 -1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.810 1.189 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.246 1.965 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.687 0.109 -3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.543 0.136 -5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.001 -0.677 -3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.563 0.980 -3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.893 1.970 -5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.849 2.884 -3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.146 2.495 -3.544 1.00 0.00 H new ATOM 90 N PHE A 5 -3.891 0.747 1.287 1.00 0.00 N ATOM 91 CA PHE A 5 -3.070 1.204 2.392 1.00 0.00 C ATOM 92 C PHE A 5 -2.074 0.117 2.677 1.00 0.00 C ATOM 93 O PHE A 5 -0.968 0.344 3.166 1.00 0.00 O ATOM 94 CB PHE A 5 -3.933 1.449 3.615 1.00 0.00 C ATOM 95 CG PHE A 5 -3.150 1.544 4.893 1.00 0.00 C ATOM 96 CD1 PHE A 5 -2.618 2.754 5.298 1.00 0.00 C ATOM 97 CD2 PHE A 5 -2.929 0.422 5.674 1.00 0.00 C ATOM 98 CE1 PHE A 5 -1.878 2.848 6.461 1.00 0.00 C ATOM 99 CE2 PHE A 5 -2.192 0.508 6.841 1.00 0.00 C ATOM 100 CZ PHE A 5 -1.665 1.723 7.234 1.00 0.00 C ATOM 0 H PHE A 5 -4.885 0.658 1.499 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.568 2.139 2.142 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.496 2.372 3.474 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.661 0.642 3.703 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.783 3.637 4.698 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.337 -0.530 5.368 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.467 3.799 6.765 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.029 -0.373 7.444 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.088 1.793 8.144 1.00 0.00 H new ATOM 110 N LYS A 6 -2.501 -1.072 2.311 1.00 0.00 N ATOM 111 CA LYS A 6 -1.714 -2.250 2.451 1.00 0.00 C ATOM 112 C LYS A 6 -0.815 -2.382 1.233 1.00 0.00 C ATOM 113 O LYS A 6 0.273 -2.951 1.308 1.00 0.00 O ATOM 114 CB LYS A 6 -2.624 -3.467 2.630 1.00 0.00 C ATOM 115 CG LYS A 6 -3.272 -3.958 1.348 1.00 0.00 C ATOM 116 CD LYS A 6 -3.245 -5.476 1.253 1.00 0.00 C ATOM 117 CE LYS A 6 -4.405 -6.004 0.424 1.00 0.00 C ATOM 118 NZ LYS A 6 -3.981 -7.099 -0.491 1.00 0.00 N ATOM 0 H LYS A 6 -3.421 -1.236 1.903 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.084 -2.188 3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.042 -4.280 3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.407 -3.218 3.347 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.303 -3.608 1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.753 -3.530 0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.303 -5.797 0.808 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.287 -5.905 2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.189 -6.369 1.088 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.835 -5.190 -0.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.801 -7.431 -1.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.251 -6.745 -1.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.595 -7.887 0.067 1.00 0.00 H new ATOM 132 N LYS A 7 -1.270 -1.812 0.109 1.00 0.00 N ATOM 133 CA LYS A 7 -0.487 -1.835 -1.109 1.00 0.00 C ATOM 134 C LYS A 7 0.440 -0.648 -1.151 1.00 0.00 C ATOM 135 O LYS A 7 1.385 -0.610 -1.941 1.00 0.00 O ATOM 136 CB LYS A 7 -1.392 -1.856 -2.342 1.00 0.00 C ATOM 137 CG LYS A 7 -0.667 -2.242 -3.623 1.00 0.00 C ATOM 138 CD LYS A 7 -0.709 -1.122 -4.650 1.00 0.00 C ATOM 139 CE LYS A 7 0.585 -0.324 -4.658 1.00 0.00 C ATOM 140 NZ LYS A 7 0.977 0.086 -6.035 1.00 0.00 N ATOM 0 H LYS A 7 -2.169 -1.336 0.029 1.00 0.00 H new ATOM 0 HA LYS A 7 0.110 -2.747 -1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.209 -2.557 -2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.840 -0.871 -2.471 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.370 -2.488 -3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.122 -3.139 -4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.885 -1.542 -5.640 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.546 -0.458 -4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.468 0.563 -4.035 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.383 -0.921 -4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.864 0.628 -5.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.113 -0.760 -6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.228 0.678 -6.448 1.00 0.00 H new ATOM 154 N ILE A 8 0.184 0.317 -0.286 1.00 0.00 N ATOM 155 CA ILE A 8 1.020 1.495 -0.238 1.00 0.00 C ATOM 156 C ILE A 8 2.073 1.365 0.847 1.00 0.00 C ATOM 157 O ILE A 8 3.178 1.892 0.730 1.00 0.00 O ATOM 158 CB ILE A 8 0.184 2.779 -0.032 1.00 0.00 C ATOM 159 CG1 ILE A 8 -0.538 3.152 -1.326 1.00 0.00 C ATOM 160 CG2 ILE A 8 1.061 3.932 0.441 1.00 0.00 C ATOM 161 CD1 ILE A 8 -1.694 4.106 -1.120 1.00 0.00 C ATOM 0 H ILE A 8 -0.586 0.307 0.383 1.00 0.00 H new ATOM 0 HA ILE A 8 1.523 1.578 -1.202 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.559 2.583 0.741 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.177 3.603 -2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.908 2.243 -1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.448 4.823 0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.532 3.666 1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.831 4.133 -0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.159 4.327 -2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.429 3.649 -0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.328 5.030 -0.674 1.00 0.00 H new ATOM 173 N GLY A 9 1.721 0.641 1.886 1.00 0.00 N ATOM 174 CA GLY A 9 2.641 0.418 2.979 1.00 0.00 C ATOM 175 C GLY A 9 3.709 -0.582 2.598 1.00 0.00 C ATOM 176 O GLY A 9 4.849 -0.511 3.061 1.00 0.00 O ATOM 0 H GLY A 9 0.809 0.198 1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.107 1.361 3.264 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.094 0.057 3.850 1.00 0.00 H new ATOM 180 N ALA A 10 3.354 -1.518 1.736 1.00 0.00 N ATOM 181 CA ALA A 10 4.315 -2.509 1.311 1.00 0.00 C ATOM 182 C ALA A 10 5.264 -1.920 0.299 1.00 0.00 C ATOM 183 O ALA A 10 6.449 -2.245 0.300 1.00 0.00 O ATOM 184 CB ALA A 10 3.640 -3.754 0.766 1.00 0.00 C ATOM 0 H ALA A 10 2.425 -1.610 1.325 1.00 0.00 H new ATOM 0 HA ALA A 10 4.887 -2.814 2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.398 -4.474 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.013 -4.197 1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.023 -3.487 -0.092 1.00 0.00 H new ATOM 190 N VAL A 11 4.773 -1.014 -0.539 1.00 0.00 N ATOM 191 CA VAL A 11 5.659 -0.370 -1.490 1.00 0.00 C ATOM 192 C VAL A 11 6.795 0.258 -0.703 1.00 0.00 C ATOM 193 O VAL A 11 7.940 0.305 -1.149 1.00 0.00 O ATOM 194 CB VAL A 11 4.945 0.701 -2.327 1.00 0.00 C ATOM 195 CG1 VAL A 11 5.922 1.361 -3.286 1.00 0.00 C ATOM 196 CG2 VAL A 11 3.772 0.090 -3.075 1.00 0.00 C ATOM 0 H VAL A 11 3.798 -0.718 -0.578 1.00 0.00 H new ATOM 0 HA VAL A 11 6.026 -1.117 -2.194 1.00 0.00 H new ATOM 0 HB VAL A 11 4.557 1.470 -1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.401 2.118 -3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.726 1.831 -2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.340 0.608 -3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.275 0.861 -3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.133 -0.697 -3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.065 -0.333 -2.361 1.00 0.00 H new ATOM 206 N LEU A 12 6.457 0.673 0.516 1.00 0.00 N ATOM 207 CA LEU A 12 7.422 1.227 1.446 1.00 0.00 C ATOM 208 C LEU A 12 8.568 0.244 1.585 1.00 0.00 C ATOM 209 O LEU A 12 9.734 0.615 1.721 1.00 0.00 O ATOM 210 CB LEU A 12 6.754 1.398 2.804 1.00 0.00 C ATOM 211 CG LEU A 12 5.703 2.508 2.879 1.00 0.00 C ATOM 212 CD1 LEU A 12 5.088 2.568 4.268 1.00 0.00 C ATOM 213 CD2 LEU A 12 6.317 3.849 2.507 1.00 0.00 C ATOM 0 H LEU A 12 5.505 0.632 0.881 1.00 0.00 H new ATOM 0 HA LEU A 12 7.787 2.189 1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.283 0.455 3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.525 1.599 3.547 1.00 0.00 H new ATOM 0 HG LEU A 12 4.912 2.282 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.343 3.363 4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.612 1.615 4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.868 2.769 5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.555 4.627 2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.128 4.082 3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.709 3.801 1.491 1.00 0.00 H new ATOM 225 N LYS A 13 8.191 -1.026 1.532 1.00 0.00 N ATOM 226 CA LYS A 13 9.124 -2.130 1.635 1.00 0.00 C ATOM 227 C LYS A 13 9.880 -2.296 0.329 1.00 0.00 C ATOM 228 O LYS A 13 11.082 -2.561 0.310 1.00 0.00 O ATOM 229 CB LYS A 13 8.363 -3.416 1.946 1.00 0.00 C ATOM 230 CG LYS A 13 9.255 -4.563 2.391 1.00 0.00 C ATOM 231 CD LYS A 13 8.524 -5.894 2.325 1.00 0.00 C ATOM 232 CE LYS A 13 9.252 -6.968 3.118 1.00 0.00 C ATOM 233 NZ LYS A 13 8.627 -8.308 2.941 1.00 0.00 N ATOM 0 H LYS A 13 7.220 -1.317 1.415 1.00 0.00 H new ATOM 0 HA LYS A 13 9.833 -1.921 2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.630 -3.214 2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.808 -3.722 1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.142 -4.602 1.759 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.598 -4.385 3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.513 -5.775 2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.430 -6.208 1.285 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.294 -7.009 2.802 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.250 -6.703 4.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.152 -9.012 3.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.640 -8.276 3.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.652 -8.573 1.936 1.00 0.00 H new ATOM 247 N VAL A 14 9.146 -2.134 -0.760 1.00 0.00 N ATOM 248 CA VAL A 14 9.690 -2.256 -2.092 1.00 0.00 C ATOM 249 C VAL A 14 10.505 -1.018 -2.461 1.00 0.00 C ATOM 250 O VAL A 14 11.189 -0.984 -3.485 1.00 0.00 O ATOM 251 CB VAL A 14 8.541 -2.478 -3.101 1.00 0.00 C ATOM 252 CG1 VAL A 14 8.765 -1.721 -4.405 1.00 0.00 C ATOM 253 CG2 VAL A 14 8.352 -3.963 -3.369 1.00 0.00 C ATOM 0 H VAL A 14 8.150 -1.913 -0.739 1.00 0.00 H new ATOM 0 HA VAL A 14 10.361 -3.115 -2.124 1.00 0.00 H new ATOM 0 HB VAL A 14 7.632 -2.079 -2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.932 -1.908 -5.082 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.832 -0.653 -4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.692 -2.060 -4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.539 -4.104 -4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.272 -4.378 -3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.109 -4.473 -2.437 1.00 0.00 H new ATOM 263 N LEU A 15 10.416 -0.007 -1.612 1.00 0.00 N ATOM 264 CA LEU A 15 11.119 1.247 -1.818 1.00 0.00 C ATOM 265 C LEU A 15 12.562 1.155 -1.328 1.00 0.00 C ATOM 266 O LEU A 15 12.788 1.351 -0.115 1.00 0.00 O ATOM 267 CB LEU A 15 10.377 2.359 -1.081 1.00 0.00 C ATOM 268 CG LEU A 15 10.045 3.590 -1.927 1.00 0.00 C ATOM 269 CD1 LEU A 15 11.310 4.179 -2.532 1.00 0.00 C ATOM 270 CD2 LEU A 15 9.045 3.233 -3.017 1.00 0.00 C ATOM 271 OXT LEU A 15 13.453 0.886 -2.162 1.00 0.00 O ATOM 0 H LEU A 15 9.854 -0.033 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 15 11.147 1.467 -2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.449 1.952 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.980 2.674 -0.230 1.00 0.00 H new ATOM 0 HG LEU A 15 9.593 4.342 -1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.054 5.054 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.993 4.472 -1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 15 11.791 3.434 -3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.820 4.120 -3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.469 2.464 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.128 2.859 -2.561 1.00 0.00 H new TER 283 LEU A 15