USER MOD reduce.3.24.130724 H: found=0, std=0, add=161, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 163 hydrogens (2 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 GLY N :NH3+ 172:sc= -0.223 (180deg=-0.233) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -166:sc=-0.00257 (180deg=-0.164) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.457 1.506 -1.432 1.00 25.00 N ATOM 2 CA GLY A 1 3.227 0.318 -0.939 1.00 25.00 C ATOM 3 C GLY A 1 4.620 0.617 -0.417 1.00 25.00 C ATOM 4 O GLY A 1 5.360 -0.218 0.057 1.00 25.00 O ATOM 0 H1 GLY A 1 1.580 1.186 -1.890 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.223 2.125 -0.630 1.00 25.00 H new ATOM 0 H3 GLY A 1 3.033 2.033 -2.119 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.655 -0.161 -0.144 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.309 -0.404 -1.752 1.00 25.00 H new ATOM 10 N ILE A 2 4.960 1.911 -0.477 1.00 25.00 N ATOM 11 CA ILE A 2 6.266 2.428 -0.048 1.00 25.00 C ATOM 12 C ILE A 2 6.518 2.082 1.423 1.00 25.00 C ATOM 13 O ILE A 2 7.630 1.700 1.806 1.00 25.00 O ATOM 14 CB ILE A 2 6.343 3.985 -0.242 1.00 25.00 C ATOM 15 CG1 ILE A 2 6.077 4.349 -1.721 1.00 25.00 C ATOM 16 CG2 ILE A 2 7.732 4.529 0.202 1.00 25.00 C ATOM 17 CD1 ILE A 2 5.894 5.856 -1.987 1.00 25.00 C ATOM 0 H ILE A 2 4.332 2.634 -0.827 1.00 25.00 H new ATOM 0 HA ILE A 2 7.032 1.959 -0.666 1.00 25.00 H new ATOM 0 HB ILE A 2 5.578 4.448 0.382 1.00 25.00 H new ATOM 0 HG12 ILE A 2 6.907 3.985 -2.326 1.00 25.00 H new ATOM 0 HG13 ILE A 2 5.183 3.823 -2.056 1.00 25.00 H new ATOM 0 HG21 ILE A 2 7.762 5.609 0.059 1.00 25.00 H new ATOM 0 HG22 ILE A 2 7.894 4.298 1.255 1.00 25.00 H new ATOM 0 HG23 ILE A 2 8.514 4.061 -0.396 1.00 25.00 H new ATOM 0 HD11 ILE A 2 5.712 6.019 -3.049 1.00 25.00 H new ATOM 0 HD12 ILE A 2 5.045 6.226 -1.413 1.00 25.00 H new ATOM 0 HD13 ILE A 2 6.795 6.390 -1.687 1.00 25.00 H new ATOM 29 N LEU A 3 5.468 2.154 2.234 1.00 25.00 N ATOM 30 CA LEU A 3 5.580 1.834 3.657 1.00 25.00 C ATOM 31 C LEU A 3 6.090 0.419 3.871 1.00 25.00 C ATOM 32 O LEU A 3 6.886 0.202 4.753 1.00 25.00 O ATOM 33 CB LEU A 3 4.224 1.992 4.365 1.00 25.00 C ATOM 34 CG LEU A 3 4.192 1.734 5.895 1.00 25.00 C ATOM 35 CD1 LEU A 3 5.159 2.654 6.652 1.00 25.00 C ATOM 36 CD2 LEU A 3 2.772 1.954 6.404 1.00 25.00 C ATOM 0 H LEU A 3 4.533 2.430 1.935 1.00 25.00 H new ATOM 0 HA LEU A 3 6.296 2.536 4.084 1.00 25.00 H new ATOM 0 HB2 LEU A 3 3.864 3.005 4.185 1.00 25.00 H new ATOM 0 HB3 LEU A 3 3.514 1.313 3.892 1.00 25.00 H new ATOM 0 HG LEU A 3 4.509 0.707 6.074 1.00 25.00 H new ATOM 0 HD11 LEU A 3 5.105 2.440 7.719 1.00 25.00 H new ATOM 0 HD12 LEU A 3 6.176 2.483 6.299 1.00 25.00 H new ATOM 0 HD13 LEU A 3 4.884 3.694 6.476 1.00 25.00 H new ATOM 0 HD21 LEU A 3 2.739 1.775 7.479 1.00 25.00 H new ATOM 0 HD22 LEU A 3 2.466 2.980 6.197 1.00 25.00 H new ATOM 0 HD23 LEU A 3 2.094 1.265 5.900 1.00 25.00 H new ATOM 48 N SER A 4 5.658 -0.535 3.057 1.00 25.00 N ATOM 49 CA SER A 4 6.050 -1.937 3.244 1.00 25.00 C ATOM 50 C SER A 4 7.565 -2.136 3.150 1.00 25.00 C ATOM 51 O SER A 4 8.143 -2.933 3.894 1.00 25.00 O ATOM 52 CB SER A 4 5.354 -2.820 2.206 1.00 25.00 C ATOM 53 OG SER A 4 5.613 -4.190 2.448 1.00 25.00 O ATOM 0 H SER A 4 5.039 -0.371 2.263 1.00 25.00 H new ATOM 0 HA SER A 4 5.740 -2.225 4.249 1.00 25.00 H new ATOM 0 HB2 SER A 4 4.279 -2.640 2.232 1.00 25.00 H new ATOM 0 HB3 SER A 4 5.698 -2.552 1.207 1.00 25.00 H new ATOM 0 HG SER A 4 5.156 -4.734 1.773 1.00 25.00 H new ATOM 59 N SER A 5 8.219 -1.381 2.277 1.00 25.00 N ATOM 60 CA SER A 5 9.671 -1.488 2.125 1.00 25.00 C ATOM 61 C SER A 5 10.369 -1.038 3.404 1.00 25.00 C ATOM 62 O SER A 5 11.295 -1.689 3.881 1.00 25.00 O ATOM 63 CB SER A 5 10.156 -0.636 0.949 1.00 25.00 C ATOM 64 OG SER A 5 11.553 -0.790 0.754 1.00 25.00 O ATOM 0 H SER A 5 7.776 -0.693 1.667 1.00 25.00 H new ATOM 0 HA SER A 5 9.916 -2.532 1.928 1.00 25.00 H new ATOM 0 HB2 SER A 5 9.624 -0.924 0.042 1.00 25.00 H new ATOM 0 HB3 SER A 5 9.924 0.413 1.135 1.00 25.00 H new ATOM 0 HG SER A 5 11.840 -0.238 -0.003 1.00 25.00 H new ATOM 70 N LEU A 6 9.907 0.063 3.977 1.00 25.00 N ATOM 71 CA LEU A 6 10.469 0.570 5.222 1.00 25.00 C ATOM 72 C LEU A 6 10.094 -0.355 6.377 1.00 25.00 C ATOM 73 O LEU A 6 10.902 -0.639 7.260 1.00 25.00 O ATOM 74 CB LEU A 6 9.919 1.978 5.484 1.00 25.00 C ATOM 75 CG LEU A 6 10.380 2.648 6.786 1.00 25.00 C ATOM 76 CD1 LEU A 6 11.899 2.851 6.826 1.00 25.00 C ATOM 77 CD2 LEU A 6 9.673 3.989 6.940 1.00 25.00 C ATOM 0 H LEU A 6 9.143 0.624 3.600 1.00 25.00 H new ATOM 0 HA LEU A 6 11.555 0.610 5.142 1.00 25.00 H new ATOM 0 HB2 LEU A 6 10.202 2.619 4.649 1.00 25.00 H new ATOM 0 HB3 LEU A 6 8.830 1.926 5.491 1.00 25.00 H new ATOM 0 HG LEU A 6 10.120 1.987 7.613 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.178 3.328 7.766 1.00 25.00 H new ATOM 0 HD12 LEU A 6 12.397 1.885 6.748 1.00 25.00 H new ATOM 0 HD13 LEU A 6 12.203 3.485 5.993 1.00 25.00 H new ATOM 0 HD21 LEU A 6 9.998 4.468 7.864 1.00 25.00 H new ATOM 0 HD22 LEU A 6 9.919 4.630 6.093 1.00 25.00 H new ATOM 0 HD23 LEU A 6 8.595 3.830 6.973 1.00 25.00 H new ATOM 89 N TRP A 7 8.862 -0.833 6.343 1.00 25.00 N ATOM 90 CA TRP A 7 8.308 -1.670 7.392 1.00 25.00 C ATOM 91 C TRP A 7 9.122 -2.941 7.602 1.00 25.00 C ATOM 92 O TRP A 7 9.446 -3.298 8.723 1.00 25.00 O ATOM 93 CB TRP A 7 6.861 -2.024 7.045 1.00 25.00 C ATOM 94 CG TRP A 7 6.114 -2.573 8.182 1.00 25.00 C ATOM 95 CD1 TRP A 7 5.261 -1.909 8.991 1.00 25.00 C ATOM 96 CD2 TRP A 7 6.142 -3.922 8.672 1.00 25.00 C ATOM 97 NE1 TRP A 7 4.750 -2.719 9.953 1.00 25.00 N ATOM 98 CE2 TRP A 7 5.282 -3.974 9.804 1.00 25.00 C ATOM 99 CE3 TRP A 7 6.811 -5.095 8.274 1.00 25.00 C ATOM 100 CZ2 TRP A 7 5.091 -5.157 10.546 1.00 25.00 C ATOM 101 CZ3 TRP A 7 6.623 -6.277 9.011 1.00 25.00 C ATOM 102 CH2 TRP A 7 5.772 -6.295 10.139 1.00 25.00 C ATOM 0 H TRP A 7 8.212 -0.649 5.579 1.00 25.00 H new ATOM 0 HA TRP A 7 8.343 -1.108 8.325 1.00 25.00 H new ATOM 0 HB2 TRP A 7 6.352 -1.131 6.681 1.00 25.00 H new ATOM 0 HB3 TRP A 7 6.856 -2.749 6.231 1.00 25.00 H new ATOM 0 HD1 TRP A 7 5.016 -0.863 8.886 1.00 25.00 H new ATOM 0 HE1 TRP A 7 4.080 -2.440 10.670 1.00 25.00 H new ATOM 0 HE3 TRP A 7 7.461 -5.087 7.412 1.00 25.00 H new ATOM 0 HZ2 TRP A 7 4.435 -5.177 11.404 1.00 25.00 H new ATOM 0 HZ3 TRP A 7 7.134 -7.180 8.712 1.00 25.00 H new ATOM 0 HH2 TRP A 7 5.649 -7.213 10.695 1.00 25.00 H new ATOM 113 N LYS A 8 9.489 -3.622 6.529 1.00 25.00 N ATOM 114 CA LYS A 8 10.261 -4.860 6.675 1.00 25.00 C ATOM 115 C LYS A 8 11.675 -4.600 7.183 1.00 25.00 C ATOM 116 O LYS A 8 12.266 -5.461 7.824 1.00 25.00 O ATOM 117 CB LYS A 8 10.284 -5.646 5.367 1.00 25.00 C ATOM 118 CG LYS A 8 8.916 -6.262 5.027 1.00 25.00 C ATOM 119 CD LYS A 8 9.042 -7.703 4.537 1.00 25.00 C ATOM 120 CE LYS A 8 9.292 -8.647 5.715 1.00 25.00 C ATOM 121 NZ LYS A 8 9.373 -10.083 5.322 1.00 25.00 N ATOM 0 H LYS A 8 9.275 -3.354 5.568 1.00 25.00 H new ATOM 0 HA LYS A 8 9.758 -5.465 7.429 1.00 25.00 H new ATOM 0 HB2 LYS A 8 10.594 -4.987 4.556 1.00 25.00 H new ATOM 0 HB3 LYS A 8 11.029 -6.439 5.436 1.00 25.00 H new ATOM 0 HG2 LYS A 8 8.277 -6.234 5.909 1.00 25.00 H new ATOM 0 HG3 LYS A 8 8.428 -5.660 4.260 1.00 25.00 H new ATOM 0 HD2 LYS A 8 8.132 -7.997 4.014 1.00 25.00 H new ATOM 0 HD3 LYS A 8 9.860 -7.780 3.821 1.00 25.00 H new ATOM 0 HE2 LYS A 8 10.221 -8.361 6.208 1.00 25.00 H new ATOM 0 HE3 LYS A 8 8.492 -8.523 6.445 1.00 25.00 H new ATOM 0 HZ1 LYS A 8 9.543 -10.665 6.167 1.00 25.00 H new ATOM 0 HZ2 LYS A 8 8.479 -10.372 4.877 1.00 25.00 H new ATOM 0 HZ3 LYS A 8 10.154 -10.215 4.648 1.00 25.00 H new ATOM 135 N LYS A 9 12.211 -3.414 6.935 1.00 25.00 N ATOM 136 CA LYS A 9 13.534 -3.063 7.464 1.00 25.00 C ATOM 137 C LYS A 9 13.439 -2.893 8.980 1.00 25.00 C ATOM 138 O LYS A 9 14.244 -3.452 9.720 1.00 25.00 O ATOM 139 CB LYS A 9 14.061 -1.778 6.812 1.00 25.00 C ATOM 140 CG LYS A 9 14.305 -1.917 5.313 1.00 25.00 C ATOM 141 CD LYS A 9 14.503 -0.559 4.647 1.00 25.00 C ATOM 142 CE LYS A 9 14.533 -0.709 3.126 1.00 25.00 C ATOM 143 NZ LYS A 9 14.645 0.619 2.428 1.00 25.00 N ATOM 0 H LYS A 9 11.764 -2.684 6.380 1.00 25.00 H new ATOM 0 HA LYS A 9 14.235 -3.865 7.231 1.00 25.00 H new ATOM 0 HB2 LYS A 9 13.347 -0.973 6.983 1.00 25.00 H new ATOM 0 HB3 LYS A 9 14.992 -1.487 7.299 1.00 25.00 H new ATOM 0 HG2 LYS A 9 15.185 -2.538 5.143 1.00 25.00 H new ATOM 0 HG3 LYS A 9 13.460 -2.429 4.852 1.00 25.00 H new ATOM 0 HD2 LYS A 9 13.697 0.116 4.936 1.00 25.00 H new ATOM 0 HD3 LYS A 9 15.434 -0.110 4.993 1.00 25.00 H new ATOM 0 HE2 LYS A 9 15.375 -1.340 2.841 1.00 25.00 H new ATOM 0 HE3 LYS A 9 13.627 -1.217 2.794 1.00 25.00 H new ATOM 0 HZ1 LYS A 9 14.662 0.470 1.399 1.00 25.00 H new ATOM 0 HZ2 LYS A 9 13.829 1.213 2.678 1.00 25.00 H new ATOM 0 HZ3 LYS A 9 15.522 1.094 2.724 1.00 25.00 H new ATOM 157 N LEU A 10 12.428 -2.165 9.442 1.00 25.00 N ATOM 158 CA LEU A 10 12.224 -1.958 10.882 1.00 25.00 C ATOM 159 C LEU A 10 11.721 -3.226 11.581 1.00 25.00 C ATOM 160 O LEU A 10 11.885 -3.367 12.782 1.00 25.00 O ATOM 161 CB LEU A 10 11.339 -0.730 11.173 1.00 25.00 C ATOM 162 CG LEU A 10 9.891 -0.651 10.664 1.00 25.00 C ATOM 163 CD1 LEU A 10 8.904 -1.450 11.515 1.00 25.00 C ATOM 164 CD2 LEU A 10 9.453 0.812 10.631 1.00 25.00 C ATOM 0 H LEU A 10 11.737 -1.708 8.848 1.00 25.00 H new ATOM 0 HA LEU A 10 13.201 -1.738 11.311 1.00 25.00 H new ATOM 0 HB2 LEU A 10 11.302 -0.615 12.256 1.00 25.00 H new ATOM 0 HB3 LEU A 10 11.863 0.140 10.777 1.00 25.00 H new ATOM 0 HG LEU A 10 9.880 -1.092 9.667 1.00 25.00 H new ATOM 0 HD11 LEU A 10 7.901 -1.350 11.099 1.00 25.00 H new ATOM 0 HD12 LEU A 10 9.193 -2.501 11.517 1.00 25.00 H new ATOM 0 HD13 LEU A 10 8.913 -1.069 12.536 1.00 25.00 H new ATOM 0 HD21 LEU A 10 8.426 0.876 10.271 1.00 25.00 H new ATOM 0 HD22 LEU A 10 9.512 1.232 11.635 1.00 25.00 H new ATOM 0 HD23 LEU A 10 10.107 1.373 9.964 1.00 25.00 H new ATOM 176 N LYS A 11 11.150 -4.163 10.828 1.00 25.00 N ATOM 177 CA LYS A 11 10.709 -5.456 11.380 1.00 25.00 C ATOM 178 C LYS A 11 11.842 -6.172 12.109 1.00 25.00 C ATOM 179 O LYS A 11 11.602 -6.932 13.026 1.00 25.00 O ATOM 180 CB LYS A 11 10.176 -6.368 10.270 1.00 25.00 C ATOM 181 CG LYS A 11 9.420 -7.605 10.781 1.00 25.00 C ATOM 182 CD LYS A 11 9.648 -8.804 9.875 1.00 25.00 C ATOM 183 CE LYS A 11 8.886 -10.022 10.388 1.00 25.00 C ATOM 184 NZ LYS A 11 9.242 -11.243 9.595 1.00 25.00 N ATOM 0 H LYS A 11 10.978 -4.057 9.828 1.00 25.00 H new ATOM 0 HA LYS A 11 9.913 -5.242 12.093 1.00 25.00 H new ATOM 0 HB2 LYS A 11 9.512 -5.790 9.627 1.00 25.00 H new ATOM 0 HB3 LYS A 11 11.012 -6.696 9.652 1.00 25.00 H new ATOM 0 HG2 LYS A 11 9.749 -7.843 11.793 1.00 25.00 H new ATOM 0 HG3 LYS A 11 8.354 -7.385 10.836 1.00 25.00 H new ATOM 0 HD2 LYS A 11 9.324 -8.567 8.862 1.00 25.00 H new ATOM 0 HD3 LYS A 11 10.713 -9.030 9.824 1.00 25.00 H new ATOM 0 HE2 LYS A 11 9.118 -10.185 11.440 1.00 25.00 H new ATOM 0 HE3 LYS A 11 7.813 -9.840 10.323 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 8.713 -12.061 9.960 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 8.998 -11.091 8.595 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 10.262 -11.426 9.679 1.00 25.00 H new ATOM 198 N LYS A 12 13.082 -5.899 11.736 1.00 25.00 N ATOM 199 CA LYS A 12 14.219 -6.478 12.458 1.00 25.00 C ATOM 200 C LYS A 12 14.208 -6.106 13.940 1.00 25.00 C ATOM 201 O LYS A 12 14.599 -6.901 14.770 1.00 25.00 O ATOM 202 CB LYS A 12 15.545 -6.062 11.828 1.00 25.00 C ATOM 203 CG LYS A 12 15.788 -6.704 10.471 1.00 25.00 C ATOM 204 CD LYS A 12 17.218 -6.472 10.013 1.00 25.00 C ATOM 205 CE LYS A 12 17.482 -7.172 8.684 1.00 25.00 C ATOM 206 NZ LYS A 12 18.932 -7.074 8.294 1.00 25.00 N ATOM 0 H LYS A 12 13.331 -5.293 10.954 1.00 25.00 H new ATOM 0 HA LYS A 12 14.116 -7.560 12.381 1.00 25.00 H new ATOM 0 HB2 LYS A 12 15.564 -4.978 11.719 1.00 25.00 H new ATOM 0 HB3 LYS A 12 16.360 -6.329 12.501 1.00 25.00 H new ATOM 0 HG2 LYS A 12 15.589 -7.774 10.529 1.00 25.00 H new ATOM 0 HG3 LYS A 12 15.095 -6.290 9.738 1.00 25.00 H new ATOM 0 HD2 LYS A 12 17.402 -5.403 9.909 1.00 25.00 H new ATOM 0 HD3 LYS A 12 17.911 -6.843 10.768 1.00 25.00 H new ATOM 0 HE2 LYS A 12 17.193 -8.220 8.759 1.00 25.00 H new ATOM 0 HE3 LYS A 12 16.863 -6.726 7.906 1.00 25.00 H new ATOM 0 HZ1 LYS A 12 19.081 -7.559 7.386 1.00 25.00 H new ATOM 0 HZ2 LYS A 12 19.199 -6.073 8.200 1.00 25.00 H new ATOM 0 HZ3 LYS A 12 19.519 -7.522 9.026 1.00 25.00 H new ATOM 220 N ILE A 13 13.760 -4.900 14.256 1.00 25.00 N ATOM 221 CA ILE A 13 13.674 -4.439 15.641 1.00 25.00 C ATOM 222 C ILE A 13 12.497 -5.146 16.325 1.00 25.00 C ATOM 223 O ILE A 13 12.574 -5.516 17.484 1.00 25.00 O ATOM 224 CB ILE A 13 13.449 -2.888 15.700 1.00 25.00 C ATOM 225 CG1 ILE A 13 14.565 -2.154 14.919 1.00 25.00 C ATOM 226 CG2 ILE A 13 13.408 -2.394 17.168 1.00 25.00 C ATOM 227 CD1 ILE A 13 14.286 -0.659 14.670 1.00 25.00 C ATOM 0 H ILE A 13 13.447 -4.215 13.568 1.00 25.00 H new ATOM 0 HA ILE A 13 14.609 -4.673 16.150 1.00 25.00 H new ATOM 0 HB ILE A 13 12.489 -2.664 15.236 1.00 25.00 H new ATOM 0 HG12 ILE A 13 15.501 -2.250 15.469 1.00 25.00 H new ATOM 0 HG13 ILE A 13 14.707 -2.650 13.959 1.00 25.00 H new ATOM 0 HG21 ILE A 13 13.251 -1.315 17.185 1.00 25.00 H new ATOM 0 HG22 ILE A 13 12.592 -2.888 17.695 1.00 25.00 H new ATOM 0 HG23 ILE A 13 14.352 -2.631 17.658 1.00 25.00 H new ATOM 0 HD11 ILE A 13 15.117 -0.221 14.117 1.00 25.00 H new ATOM 0 HD12 ILE A 13 13.368 -0.552 14.091 1.00 25.00 H new ATOM 0 HD13 ILE A 13 14.175 -0.146 15.625 1.00 25.00 H new ATOM 239 N ILE A 14 11.418 -5.345 15.577 1.00 25.00 N ATOM 240 CA ILE A 14 10.211 -6.018 16.090 1.00 25.00 C ATOM 241 C ILE A 14 10.549 -7.469 16.453 1.00 25.00 C ATOM 242 O ILE A 14 10.025 -8.031 17.406 1.00 25.00 O ATOM 243 CB ILE A 14 9.061 -5.988 15.006 1.00 25.00 C ATOM 244 CG1 ILE A 14 8.706 -4.523 14.675 1.00 25.00 C ATOM 245 CG2 ILE A 14 7.799 -6.757 15.486 1.00 25.00 C ATOM 246 CD1 ILE A 14 7.596 -4.340 13.606 1.00 25.00 C ATOM 0 H ILE A 14 11.346 -5.050 14.603 1.00 25.00 H new ATOM 0 HA ILE A 14 9.863 -5.493 16.979 1.00 25.00 H new ATOM 0 HB ILE A 14 9.423 -6.489 14.108 1.00 25.00 H new ATOM 0 HG12 ILE A 14 8.391 -4.026 15.592 1.00 25.00 H new ATOM 0 HG13 ILE A 14 9.607 -4.016 14.331 1.00 25.00 H new ATOM 0 HG21 ILE A 14 7.031 -6.714 14.714 1.00 25.00 H new ATOM 0 HG22 ILE A 14 8.059 -7.797 15.681 1.00 25.00 H new ATOM 0 HG23 ILE A 14 7.420 -6.300 16.400 1.00 25.00 H new ATOM 0 HD11 ILE A 14 7.419 -3.277 13.444 1.00 25.00 H new ATOM 0 HD12 ILE A 14 7.912 -4.802 12.671 1.00 25.00 H new ATOM 0 HD13 ILE A 14 6.676 -4.812 13.952 1.00 25.00 H new ATOM 258 N ALA A 15 11.442 -8.054 15.674 1.00 25.00 N ATOM 259 CA ALA A 15 11.868 -9.438 15.855 1.00 25.00 C ATOM 260 C ALA A 15 12.970 -9.609 16.918 1.00 25.00 C ATOM 261 O ALA A 15 13.504 -10.712 17.077 1.00 25.00 O ATOM 262 CB ALA A 15 12.357 -9.990 14.505 1.00 25.00 C ATOM 0 H ALA A 15 11.897 -7.583 14.892 1.00 25.00 H new ATOM 0 HA ALA A 15 11.005 -9.995 16.218 1.00 25.00 H new ATOM 0 HB1 ALA A 15 12.678 -11.024 14.630 1.00 25.00 H new ATOM 0 HB2 ALA A 15 11.545 -9.947 13.779 1.00 25.00 H new ATOM 0 HB3 ALA A 15 13.195 -9.391 14.149 1.00 25.00 H new ATOM 268 N LYS A 16 13.361 -8.498 17.588 1.00 25.00 N ATOM 269 CA LYS A 16 14.484 -8.457 18.576 1.00 25.00 C ATOM 270 C LYS A 16 14.082 -8.029 20.005 1.00 25.00 C ATOM 271 O LYS A 16 14.482 -8.623 20.985 1.00 25.00 O ATOM 272 CB LYS A 16 15.662 -7.591 18.040 1.00 25.00 C ATOM 273 CG LYS A 16 16.991 -7.943 18.763 1.00 25.00 C ATOM 274 CD LYS A 16 18.103 -6.895 18.489 1.00 25.00 C ATOM 275 CE LYS A 16 19.374 -7.186 19.330 1.00 25.00 C ATOM 276 NZ LYS A 16 19.082 -6.940 20.797 1.00 25.00 N ATOM 0 H LYS A 16 12.906 -7.594 17.462 1.00 25.00 H new ATOM 0 HA LYS A 16 14.811 -9.492 18.678 1.00 25.00 H new ATOM 0 HB2 LYS A 16 15.775 -7.750 16.968 1.00 25.00 H new ATOM 0 HB3 LYS A 16 15.435 -6.535 18.184 1.00 25.00 H new ATOM 0 HG2 LYS A 16 16.812 -8.009 19.836 1.00 25.00 H new ATOM 0 HG3 LYS A 16 17.331 -8.925 18.436 1.00 25.00 H new ATOM 0 HD2 LYS A 16 18.357 -6.900 17.429 1.00 25.00 H new ATOM 0 HD3 LYS A 16 17.731 -5.898 18.723 1.00 25.00 H new ATOM 0 HE2 LYS A 16 19.693 -8.218 19.181 1.00 25.00 H new ATOM 0 HE3 LYS A 16 20.194 -6.548 19.000 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 19.976 -6.902 21.327 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 18.578 -6.037 20.904 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 18.492 -7.712 21.168 1.00 25.00 H new TER 290 LYS A 16 HETATM 291 N NH2 A 101 13.321 -6.836 20.112 1.00 25.00 N