USER MOD reduce.3.24.130724 H: found=0, std=0, add=156, rem=0, adj=1 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+ 174:sc= -0.368 (180deg=-0.467) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -7.422 3.411 -0.094 1.00 0.00 N ATOM 2 CA LYS A 1 -7.647 3.664 1.355 1.00 0.00 C ATOM 3 C LYS A 1 -7.648 2.374 2.150 1.00 0.00 C ATOM 4 O LYS A 1 -7.107 2.303 3.252 1.00 0.00 O ATOM 5 CB LYS A 1 -8.976 4.403 1.531 1.00 0.00 C ATOM 6 CG LYS A 1 -10.164 3.693 0.901 1.00 0.00 C ATOM 7 CD LYS A 1 -11.451 4.473 1.105 1.00 0.00 C ATOM 8 CE LYS A 1 -11.858 5.217 -0.157 1.00 0.00 C ATOM 9 NZ LYS A 1 -12.843 4.444 -0.967 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.528 4.301 -0.622 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.462 3.036 -0.236 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.118 2.719 -0.438 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.830 4.277 1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -9.168 4.537 2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -8.887 5.398 1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -9.985 3.558 -0.166 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -10.267 2.699 1.336 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -12.248 3.791 1.399 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -11.322 5.183 1.922 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -12.288 6.181 0.113 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -10.973 5.420 -0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -13.094 4.986 -1.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -12.424 3.534 -1.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -13.699 4.272 -0.401 1.00 0.00 H new ATOM 25 N TRP A 2 -8.293 1.380 1.593 1.00 0.00 N ATOM 26 CA TRP A 2 -8.426 0.076 2.244 1.00 0.00 C ATOM 27 C TRP A 2 -7.278 -0.927 1.958 1.00 0.00 C ATOM 28 O TRP A 2 -6.252 -0.895 2.637 1.00 0.00 O ATOM 29 CB TRP A 2 -9.775 -0.533 1.938 1.00 0.00 C ATOM 30 CG TRP A 2 -10.358 0.032 0.722 1.00 0.00 C ATOM 31 CD1 TRP A 2 -11.591 0.474 0.522 1.00 0.00 C ATOM 32 CD2 TRP A 2 -9.653 0.237 -0.450 1.00 0.00 C ATOM 33 NE1 TRP A 2 -11.723 0.887 -0.785 1.00 0.00 N ATOM 34 CE2 TRP A 2 -10.521 0.738 -1.406 1.00 0.00 C ATOM 35 CE3 TRP A 2 -8.359 0.004 -0.750 1.00 0.00 C ATOM 36 CZ2 TRP A 2 -10.104 1.004 -2.704 1.00 0.00 C ATOM 37 CZ3 TRP A 2 -7.926 0.255 -1.996 1.00 0.00 C ATOM 38 CH2 TRP A 2 -8.791 0.742 -2.989 1.00 0.00 C ATOM 0 H TRP A 2 -8.743 1.439 0.680 1.00 0.00 H new ATOM 0 HA TRP A 2 -8.347 0.280 3.312 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -9.670 -1.612 1.824 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -10.450 -0.365 2.778 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -12.371 0.505 1.268 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -12.576 1.244 -1.215 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -7.682 -0.378 -0.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -10.780 1.397 -3.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -6.889 0.078 -2.240 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -8.417 0.912 -3.988 1.00 0.00 H new ATOM 49 N LYS A 3 -7.450 -1.822 0.959 1.00 0.00 N ATOM 50 CA LYS A 3 -6.438 -2.820 0.615 1.00 0.00 C ATOM 51 C LYS A 3 -5.330 -2.231 -0.240 1.00 0.00 C ATOM 52 O LYS A 3 -4.395 -2.919 -0.649 1.00 0.00 O ATOM 53 CB LYS A 3 -7.082 -3.998 -0.110 1.00 0.00 C ATOM 54 CG LYS A 3 -6.303 -5.298 0.014 1.00 0.00 C ATOM 55 CD LYS A 3 -6.047 -5.930 -1.346 1.00 0.00 C ATOM 56 CE LYS A 3 -4.697 -6.629 -1.390 1.00 0.00 C ATOM 57 NZ LYS A 3 -4.034 -6.477 -2.715 1.00 0.00 N ATOM 0 H LYS A 3 -8.289 -1.865 0.380 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.992 -3.166 1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.087 -4.149 0.284 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.188 -3.748 -1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.352 -5.107 0.512 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -6.857 -5.996 0.642 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.837 -6.647 -1.570 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.086 -5.162 -2.118 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.052 -6.220 -0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.830 -7.688 -1.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.117 -6.968 -2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.638 -6.890 -3.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.884 -5.467 -2.914 1.00 0.00 H new ATOM 71 N LEU A 4 -5.422 -0.946 -0.439 1.00 0.00 N ATOM 72 CA LEU A 4 -4.425 -0.195 -1.179 1.00 0.00 C ATOM 73 C LEU A 4 -3.451 0.341 -0.181 1.00 0.00 C ATOM 74 O LEU A 4 -2.237 0.244 -0.314 1.00 0.00 O ATOM 75 CB LEU A 4 -5.032 1.010 -1.854 1.00 0.00 C ATOM 76 CG LEU A 4 -5.092 0.974 -3.392 1.00 0.00 C ATOM 77 CD1 LEU A 4 -5.369 -0.434 -3.912 1.00 0.00 C ATOM 78 CD2 LEU A 4 -6.137 1.955 -3.904 1.00 0.00 C ATOM 0 H LEU A 4 -6.195 -0.378 -0.092 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.977 -0.850 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.046 1.139 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.465 1.891 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.115 1.274 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.404 -0.419 -5.001 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.576 -1.106 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.325 -0.784 -3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.168 1.918 -4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.115 1.687 -3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.878 2.964 -3.582 1.00 0.00 H new ATOM 90 N PHE A 5 -4.059 0.874 0.853 1.00 0.00 N ATOM 91 CA PHE A 5 -3.384 1.425 1.987 1.00 0.00 C ATOM 92 C PHE A 5 -2.399 0.403 2.489 1.00 0.00 C ATOM 93 O PHE A 5 -1.298 0.710 2.945 1.00 0.00 O ATOM 94 CB PHE A 5 -4.462 1.699 3.012 1.00 0.00 C ATOM 95 CG PHE A 5 -4.384 3.064 3.629 1.00 0.00 C ATOM 96 CD1 PHE A 5 -4.693 4.193 2.889 1.00 0.00 C ATOM 97 CD2 PHE A 5 -3.992 3.220 4.949 1.00 0.00 C ATOM 98 CE1 PHE A 5 -4.613 5.452 3.453 1.00 0.00 C ATOM 99 CE2 PHE A 5 -3.910 4.476 5.519 1.00 0.00 C ATOM 100 CZ PHE A 5 -4.221 5.594 4.770 1.00 0.00 C ATOM 0 H PHE A 5 -5.075 0.934 0.922 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.835 2.339 1.761 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.437 1.580 2.539 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.397 0.950 3.802 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -5.000 4.088 1.859 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.748 2.349 5.539 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.857 6.324 2.865 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.603 4.583 6.549 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.158 6.577 5.213 1.00 0.00 H new ATOM 110 N LYS A 6 -2.831 -0.828 2.338 1.00 0.00 N ATOM 111 CA LYS A 6 -2.066 -1.979 2.698 1.00 0.00 C ATOM 112 C LYS A 6 -1.058 -2.273 1.594 1.00 0.00 C ATOM 113 O LYS A 6 0.000 -2.851 1.840 1.00 0.00 O ATOM 114 CB LYS A 6 -3.017 -3.155 2.947 1.00 0.00 C ATOM 115 CG LYS A 6 -3.296 -4.033 1.733 1.00 0.00 C ATOM 116 CD LYS A 6 -3.378 -5.502 2.118 1.00 0.00 C ATOM 117 CE LYS A 6 -4.677 -5.817 2.843 1.00 0.00 C ATOM 118 NZ LYS A 6 -4.448 -6.635 4.065 1.00 0.00 N ATOM 0 H LYS A 6 -3.748 -1.052 1.951 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.507 -1.805 3.618 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.599 -3.778 3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.964 -2.763 3.317 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.232 -3.725 1.266 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.509 -3.893 0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.301 -6.119 1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.533 -5.760 2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.174 -4.887 3.117 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.348 -6.351 2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.358 -6.828 4.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.997 -7.534 3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.829 -6.116 4.719 1.00 0.00 H new ATOM 132 N LYS A 7 -1.385 -1.835 0.369 1.00 0.00 N ATOM 133 CA LYS A 7 -0.489 -2.023 -0.763 1.00 0.00 C ATOM 134 C LYS A 7 0.462 -0.862 -0.877 1.00 0.00 C ATOM 135 O LYS A 7 1.455 -0.924 -1.605 1.00 0.00 O ATOM 136 CB LYS A 7 -1.282 -2.198 -2.060 1.00 0.00 C ATOM 137 CG LYS A 7 -0.434 -2.665 -3.233 1.00 0.00 C ATOM 138 CD LYS A 7 -0.897 -2.040 -4.539 1.00 0.00 C ATOM 139 CE LYS A 7 -0.751 -0.527 -4.515 1.00 0.00 C ATOM 140 NZ LYS A 7 -0.732 0.052 -5.887 1.00 0.00 N ATOM 0 H LYS A 7 -2.256 -1.354 0.146 1.00 0.00 H new ATOM 0 HA LYS A 7 0.090 -2.931 -0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.083 -2.918 -1.892 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.754 -1.250 -2.318 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.610 -2.406 -3.055 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.484 -3.751 -3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.316 -2.450 -5.366 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.939 -2.303 -4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.575 -0.092 -3.949 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.169 -0.259 -3.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.631 1.085 -5.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.069 -0.343 -6.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.621 -0.181 -6.374 1.00 0.00 H new ATOM 154 N ILE A 8 0.175 0.193 -0.141 1.00 0.00 N ATOM 155 CA ILE A 8 1.030 1.351 -0.170 1.00 0.00 C ATOM 156 C ILE A 8 2.121 1.232 0.876 1.00 0.00 C ATOM 157 O ILE A 8 3.239 1.715 0.690 1.00 0.00 O ATOM 158 CB ILE A 8 0.226 2.660 0.017 1.00 0.00 C ATOM 159 CG1 ILE A 8 -0.501 3.020 -1.279 1.00 0.00 C ATOM 160 CG2 ILE A 8 1.133 3.803 0.453 1.00 0.00 C ATOM 161 CD1 ILE A 8 -1.692 3.929 -1.070 1.00 0.00 C ATOM 0 H ILE A 8 -0.634 0.268 0.475 1.00 0.00 H new ATOM 0 HA ILE A 8 1.496 1.395 -1.154 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.511 2.498 0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.201 3.504 -1.958 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.834 2.104 -1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.541 4.710 0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.609 3.549 1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.898 3.970 -0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.159 4.143 -2.031 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.414 3.439 -0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.362 4.861 -0.611 1.00 0.00 H new ATOM 173 N GLY A 9 1.796 0.554 1.955 1.00 0.00 N ATOM 174 CA GLY A 9 2.762 0.342 3.010 1.00 0.00 C ATOM 175 C GLY A 9 3.838 -0.621 2.564 1.00 0.00 C ATOM 176 O GLY A 9 5.011 -0.484 2.916 1.00 0.00 O ATOM 0 H GLY A 9 0.878 0.143 2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.213 1.293 3.293 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.261 -0.049 3.895 1.00 0.00 H new ATOM 180 N ALA A 10 3.453 -1.599 1.763 1.00 0.00 N ATOM 181 CA ALA A 10 4.420 -2.555 1.278 1.00 0.00 C ATOM 182 C ALA A 10 5.369 -1.882 0.318 1.00 0.00 C ATOM 183 O ALA A 10 6.540 -2.242 0.246 1.00 0.00 O ATOM 184 CB ALA A 10 3.752 -3.758 0.636 1.00 0.00 C ATOM 0 H ALA A 10 2.496 -1.747 1.442 1.00 0.00 H new ATOM 0 HA ALA A 10 4.987 -2.928 2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.515 -4.453 0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.117 -4.256 1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.144 -3.430 -0.207 1.00 0.00 H new ATOM 190 N VAL A 11 4.890 -0.868 -0.392 1.00 0.00 N ATOM 191 CA VAL A 11 5.771 -0.144 -1.286 1.00 0.00 C ATOM 192 C VAL A 11 6.952 0.351 -0.470 1.00 0.00 C ATOM 193 O VAL A 11 8.085 0.397 -0.945 1.00 0.00 O ATOM 194 CB VAL A 11 5.072 1.042 -1.968 1.00 0.00 C ATOM 195 CG1 VAL A 11 6.045 1.780 -2.874 1.00 0.00 C ATOM 196 CG2 VAL A 11 3.859 0.561 -2.746 1.00 0.00 C ATOM 0 H VAL A 11 3.925 -0.539 -0.366 1.00 0.00 H new ATOM 0 HA VAL A 11 6.091 -0.815 -2.083 1.00 0.00 H new ATOM 0 HB VAL A 11 4.730 1.738 -1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.535 2.618 -3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.881 2.153 -2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.417 1.099 -3.640 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.373 1.411 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.175 -0.152 -3.508 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.158 0.078 -2.065 1.00 0.00 H new ATOM 206 N LEU A 12 6.671 0.649 0.798 1.00 0.00 N ATOM 207 CA LEU A 12 7.696 1.061 1.739 1.00 0.00 C ATOM 208 C LEU A 12 8.828 0.056 1.671 1.00 0.00 C ATOM 209 O LEU A 12 10.007 0.394 1.776 1.00 0.00 O ATOM 210 CB LEU A 12 7.117 1.054 3.150 1.00 0.00 C ATOM 211 CG LEU A 12 6.055 2.121 3.425 1.00 0.00 C ATOM 212 CD1 LEU A 12 5.529 1.998 4.845 1.00 0.00 C ATOM 213 CD2 LEU A 12 6.623 3.511 3.182 1.00 0.00 C ATOM 0 H LEU A 12 5.732 0.610 1.194 1.00 0.00 H new ATOM 0 HA LEU A 12 8.052 2.062 1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.682 0.073 3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.933 1.185 3.861 1.00 0.00 H new ATOM 0 HG LEU A 12 5.223 1.965 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.775 2.765 5.021 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.084 1.013 4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.350 2.128 5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.855 4.258 3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.473 3.678 3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.949 3.595 2.145 1.00 0.00 H new ATOM 225 N LYS A 13 8.423 -1.193 1.479 1.00 0.00 N ATOM 226 CA LYS A 13 9.345 -2.307 1.374 1.00 0.00 C ATOM 227 C LYS A 13 9.964 -2.350 -0.012 1.00 0.00 C ATOM 228 O LYS A 13 11.135 -2.689 -0.182 1.00 0.00 O ATOM 229 CB LYS A 13 8.602 -3.615 1.636 1.00 0.00 C ATOM 230 CG LYS A 13 8.120 -3.765 3.070 1.00 0.00 C ATOM 231 CD LYS A 13 6.970 -4.754 3.171 1.00 0.00 C ATOM 232 CE LYS A 13 6.220 -4.605 4.485 1.00 0.00 C ATOM 233 NZ LYS A 13 5.300 -5.749 4.737 1.00 0.00 N ATOM 0 H LYS A 13 7.442 -1.458 1.392 1.00 0.00 H new ATOM 0 HA LYS A 13 10.135 -2.178 2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.745 -3.677 0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.258 -4.451 1.393 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.945 -4.099 3.699 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.801 -2.795 3.451 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.283 -4.600 2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.354 -5.770 3.083 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.935 -4.528 5.304 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.649 -3.677 4.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.809 -5.607 5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.601 -5.808 3.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.847 -6.633 4.775 1.00 0.00 H new ATOM 247 N VAL A 14 9.151 -2.005 -1.001 1.00 0.00 N ATOM 248 CA VAL A 14 9.570 -1.997 -2.384 1.00 0.00 C ATOM 249 C VAL A 14 10.393 -0.749 -2.704 1.00 0.00 C ATOM 250 O VAL A 14 10.908 -0.594 -3.811 1.00 0.00 O ATOM 251 CB VAL A 14 8.331 -2.087 -3.307 1.00 0.00 C ATOM 252 CG1 VAL A 14 8.178 -0.851 -4.187 1.00 0.00 C ATOM 253 CG2 VAL A 14 8.389 -3.348 -4.157 1.00 0.00 C ATOM 0 H VAL A 14 8.181 -1.723 -0.860 1.00 0.00 H new ATOM 0 HA VAL A 14 10.206 -2.865 -2.558 1.00 0.00 H new ATOM 0 HB VAL A 14 7.452 -2.135 -2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.295 -0.960 -4.817 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.068 0.032 -3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.061 -0.741 -4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.510 -3.394 -4.800 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.288 -3.331 -4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.411 -4.224 -3.508 1.00 0.00 H new ATOM 263 N LEU A 15 10.499 0.136 -1.723 1.00 0.00 N ATOM 264 CA LEU A 15 11.238 1.377 -1.875 1.00 0.00 C ATOM 265 C LEU A 15 12.714 1.183 -1.540 1.00 0.00 C ATOM 266 O LEU A 15 13.528 2.044 -1.936 1.00 0.00 O ATOM 267 CB LEU A 15 10.620 2.438 -0.966 1.00 0.00 C ATOM 268 CG LEU A 15 10.311 3.775 -1.644 1.00 0.00 C ATOM 269 CD1 LEU A 15 8.906 3.766 -2.223 1.00 0.00 C ATOM 270 CD2 LEU A 15 10.478 4.922 -0.658 1.00 0.00 C ATOM 271 OXT LEU A 15 13.043 0.173 -0.882 1.00 0.00 O ATOM 0 H LEU A 15 10.076 0.013 -0.803 1.00 0.00 H new ATOM 0 HA LEU A 15 11.177 1.701 -2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.697 2.040 -0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.298 2.619 -0.132 1.00 0.00 H new ATOM 0 HG LEU A 15 11.017 3.920 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.703 4.724 -2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.821 2.968 -2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.184 3.600 -1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.255 5.865 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.795 4.784 0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.504 4.940 -0.291 1.00 0.00 H new TER 283 LEU A 15