USER MOD reduce.3.24.130724 H: found=0, std=0, add=161, rem=0, adj=3 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+ 180:sc= 0 (180deg=0) 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+ -167:sc= -0.0223 (180deg=-0.205) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.816 -2.581 -1.305 1.00 25.00 N ATOM 2 CA GLY A 1 3.550 -1.197 -0.823 1.00 25.00 C ATOM 3 C GLY A 1 4.782 -0.419 -0.380 1.00 25.00 C ATOM 4 O GLY A 1 5.725 -0.940 0.181 1.00 25.00 O ATOM 0 H1 GLY A 1 2.920 -3.030 -1.584 1.00 25.00 H new ATOM 0 H2 GLY A 1 4.455 -2.546 -2.124 1.00 25.00 H new ATOM 0 H3 GLY A 1 4.258 -3.135 -0.544 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.055 -0.641 -1.619 1.00 25.00 H new ATOM 0 HA3 GLY A 1 2.852 -1.248 0.012 1.00 25.00 H new ATOM 10 N ILE A 2 4.756 0.902 -0.618 1.00 25.00 N ATOM 11 CA ILE A 2 5.884 1.789 -0.294 1.00 25.00 C ATOM 12 C ILE A 2 6.232 1.706 1.196 1.00 25.00 C ATOM 13 O ILE A 2 7.399 1.569 1.569 1.00 25.00 O ATOM 14 CB ILE A 2 5.556 3.277 -0.666 1.00 25.00 C ATOM 15 CG1 ILE A 2 5.123 3.398 -2.147 1.00 25.00 C ATOM 16 CG2 ILE A 2 6.768 4.201 -0.375 1.00 25.00 C ATOM 17 CD1 ILE A 2 6.171 2.941 -3.200 1.00 25.00 C ATOM 0 H ILE A 2 3.959 1.382 -1.037 1.00 25.00 H new ATOM 0 HA ILE A 2 6.739 1.456 -0.882 1.00 25.00 H new ATOM 0 HB ILE A 2 4.723 3.600 -0.042 1.00 25.00 H new ATOM 0 HG12 ILE A 2 4.215 2.812 -2.289 1.00 25.00 H new ATOM 0 HG13 ILE A 2 4.866 4.438 -2.346 1.00 25.00 H new ATOM 0 HG21 ILE A 2 6.515 5.227 -0.641 1.00 25.00 H new ATOM 0 HG22 ILE A 2 7.017 4.152 0.685 1.00 25.00 H new ATOM 0 HG23 ILE A 2 7.625 3.874 -0.964 1.00 25.00 H new ATOM 0 HD11 ILE A 2 5.761 3.070 -4.202 1.00 25.00 H new ATOM 0 HD12 ILE A 2 7.075 3.542 -3.098 1.00 25.00 H new ATOM 0 HD13 ILE A 2 6.414 1.890 -3.040 1.00 25.00 H new ATOM 29 N LEU A 3 5.211 1.733 2.048 1.00 25.00 N ATOM 30 CA LEU A 3 5.432 1.631 3.490 1.00 25.00 C ATOM 31 C LEU A 3 6.050 0.287 3.832 1.00 25.00 C ATOM 32 O LEU A 3 6.962 0.217 4.639 1.00 25.00 O ATOM 33 CB LEU A 3 4.108 1.794 4.256 1.00 25.00 C ATOM 34 CG LEU A 3 4.176 1.704 5.801 1.00 25.00 C ATOM 35 CD1 LEU A 3 5.116 2.755 6.399 1.00 25.00 C ATOM 36 CD2 LEU A 3 2.771 1.894 6.366 1.00 25.00 C ATOM 0 H LEU A 3 4.233 1.823 1.771 1.00 25.00 H new ATOM 0 HA LEU A 3 6.113 2.429 3.786 1.00 25.00 H new ATOM 0 HB2 LEU A 3 3.680 2.761 3.991 1.00 25.00 H new ATOM 0 HB3 LEU A 3 3.415 1.031 3.902 1.00 25.00 H new ATOM 0 HG LEU A 3 4.572 0.724 6.068 1.00 25.00 H new ATOM 0 HD11 LEU A 3 5.132 2.654 7.484 1.00 25.00 H new ATOM 0 HD12 LEU A 3 6.122 2.609 6.006 1.00 25.00 H new ATOM 0 HD13 LEU A 3 4.764 3.752 6.133 1.00 25.00 H new ATOM 0 HD21 LEU A 3 2.805 1.833 7.454 1.00 25.00 H new ATOM 0 HD22 LEU A 3 2.388 2.871 6.069 1.00 25.00 H new ATOM 0 HD23 LEU A 3 2.115 1.114 5.979 1.00 25.00 H new ATOM 48 N SER A 4 5.563 -0.776 3.203 1.00 25.00 N ATOM 49 CA SER A 4 6.018 -2.133 3.507 1.00 25.00 C ATOM 50 C SER A 4 7.516 -2.318 3.285 1.00 25.00 C ATOM 51 O SER A 4 8.157 -3.080 4.006 1.00 25.00 O ATOM 52 CB SER A 4 5.262 -3.159 2.660 1.00 25.00 C ATOM 53 OG SER A 4 5.625 -4.478 3.036 1.00 25.00 O ATOM 0 H SER A 4 4.850 -0.727 2.476 1.00 25.00 H new ATOM 0 HA SER A 4 5.812 -2.291 4.565 1.00 25.00 H new ATOM 0 HB2 SER A 4 4.188 -3.022 2.785 1.00 25.00 H new ATOM 0 HB3 SER A 4 5.483 -3.002 1.604 1.00 25.00 H new ATOM 0 HG SER A 4 5.132 -5.122 2.486 1.00 25.00 H new ATOM 59 N SER A 5 8.082 -1.627 2.308 1.00 25.00 N ATOM 60 CA SER A 5 9.512 -1.750 2.033 1.00 25.00 C ATOM 61 C SER A 5 10.347 -1.289 3.228 1.00 25.00 C ATOM 62 O SER A 5 11.303 -1.954 3.624 1.00 25.00 O ATOM 63 CB SER A 5 9.875 -0.931 0.797 1.00 25.00 C ATOM 64 OG SER A 5 9.088 -1.349 -0.305 1.00 25.00 O ATOM 0 H SER A 5 7.583 -0.981 1.696 1.00 25.00 H new ATOM 0 HA SER A 5 9.734 -2.801 1.851 1.00 25.00 H new ATOM 0 HB2 SER A 5 9.711 0.129 0.991 1.00 25.00 H new ATOM 0 HB3 SER A 5 10.933 -1.053 0.567 1.00 25.00 H new ATOM 0 HG SER A 5 9.324 -0.819 -1.095 1.00 25.00 H new ATOM 70 N LEU A 6 9.977 -0.164 3.824 1.00 25.00 N ATOM 71 CA LEU A 6 10.683 0.330 5.005 1.00 25.00 C ATOM 72 C LEU A 6 10.248 -0.448 6.246 1.00 25.00 C ATOM 73 O LEU A 6 11.050 -0.745 7.126 1.00 25.00 O ATOM 74 CB LEU A 6 10.421 1.827 5.190 1.00 25.00 C ATOM 75 CG LEU A 6 11.672 2.631 5.589 1.00 25.00 C ATOM 76 CD1 LEU A 6 11.407 4.119 5.375 1.00 25.00 C ATOM 77 CD2 LEU A 6 12.099 2.392 7.039 1.00 25.00 C ATOM 0 H LEU A 6 9.200 0.421 3.516 1.00 25.00 H new ATOM 0 HA LEU A 6 11.753 0.181 4.862 1.00 25.00 H new ATOM 0 HB2 LEU A 6 10.020 2.234 4.262 1.00 25.00 H new ATOM 0 HB3 LEU A 6 9.655 1.961 5.954 1.00 25.00 H new ATOM 0 HG LEU A 6 12.490 2.288 4.955 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.291 4.690 5.657 1.00 25.00 H new ATOM 0 HD12 LEU A 6 11.177 4.300 4.325 1.00 25.00 H new ATOM 0 HD13 LEU A 6 10.563 4.430 5.990 1.00 25.00 H new ATOM 0 HD21 LEU A 6 12.986 2.986 7.260 1.00 25.00 H new ATOM 0 HD22 LEU A 6 11.290 2.684 7.709 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.325 1.335 7.182 1.00 25.00 H new ATOM 89 N TRP A 7 8.976 -0.802 6.285 1.00 25.00 N ATOM 90 CA TRP A 7 8.401 -1.538 7.406 1.00 25.00 C ATOM 91 C TRP A 7 9.134 -2.846 7.645 1.00 25.00 C ATOM 92 O TRP A 7 9.433 -3.189 8.773 1.00 25.00 O ATOM 93 CB TRP A 7 6.921 -1.806 7.135 1.00 25.00 C ATOM 94 CG TRP A 7 6.188 -2.329 8.298 1.00 25.00 C ATOM 95 CD1 TRP A 7 5.420 -1.630 9.161 1.00 25.00 C ATOM 96 CD2 TRP A 7 6.120 -3.694 8.740 1.00 25.00 C ATOM 97 NE1 TRP A 7 4.877 -2.434 10.115 1.00 25.00 N ATOM 98 CE2 TRP A 7 5.291 -3.721 9.898 1.00 25.00 C ATOM 99 CE3 TRP A 7 6.674 -4.900 8.274 1.00 25.00 C ATOM 100 CZ2 TRP A 7 5.021 -4.914 10.600 1.00 25.00 C ATOM 101 CZ3 TRP A 7 6.405 -6.096 8.970 1.00 25.00 C ATOM 102 CH2 TRP A 7 5.583 -6.091 10.128 1.00 25.00 C ATOM 0 H TRP A 7 8.309 -0.589 5.543 1.00 25.00 H new ATOM 0 HA TRP A 7 8.505 -0.931 8.305 1.00 25.00 H new ATOM 0 HB2 TRP A 7 6.448 -0.880 6.806 1.00 25.00 H new ATOM 0 HB3 TRP A 7 6.835 -2.517 6.314 1.00 25.00 H new ATOM 0 HD1 TRP A 7 5.257 -0.564 9.101 1.00 25.00 H new ATOM 0 HE1 TRP A 7 4.262 -2.128 10.869 1.00 25.00 H new ATOM 0 HE3 TRP A 7 7.298 -4.910 7.393 1.00 25.00 H new ATOM 0 HZ2 TRP A 7 4.395 -4.911 11.480 1.00 25.00 H new ATOM 0 HZ3 TRP A 7 6.828 -7.026 8.619 1.00 25.00 H new ATOM 0 HH2 TRP A 7 5.393 -7.018 10.649 1.00 25.00 H new ATOM 113 N LYS A 8 9.467 -3.572 6.590 1.00 25.00 N ATOM 114 CA LYS A 8 10.172 -4.840 6.767 1.00 25.00 C ATOM 115 C LYS A 8 11.597 -4.642 7.265 1.00 25.00 C ATOM 116 O LYS A 8 12.116 -5.504 7.957 1.00 25.00 O ATOM 117 CB LYS A 8 10.149 -5.657 5.477 1.00 25.00 C ATOM 118 CG LYS A 8 8.759 -6.255 5.187 1.00 25.00 C ATOM 119 CD LYS A 8 8.739 -7.070 3.883 1.00 25.00 C ATOM 120 CE LYS A 8 9.497 -8.399 4.008 1.00 25.00 C ATOM 121 NZ LYS A 8 9.457 -9.182 2.718 1.00 25.00 N ATOM 0 H LYS A 8 9.268 -3.317 5.622 1.00 25.00 H new ATOM 0 HA LYS A 8 9.642 -5.399 7.539 1.00 25.00 H new ATOM 0 HB2 LYS A 8 10.450 -5.023 4.643 1.00 25.00 H new ATOM 0 HB3 LYS A 8 10.881 -6.462 5.546 1.00 25.00 H new ATOM 0 HG2 LYS A 8 8.460 -6.894 6.018 1.00 25.00 H new ATOM 0 HG3 LYS A 8 8.026 -5.451 5.123 1.00 25.00 H new ATOM 0 HD2 LYS A 8 7.706 -7.270 3.599 1.00 25.00 H new ATOM 0 HD3 LYS A 8 9.180 -6.478 3.081 1.00 25.00 H new ATOM 0 HE2 LYS A 8 10.533 -8.204 4.284 1.00 25.00 H new ATOM 0 HE3 LYS A 8 9.060 -8.994 4.810 1.00 25.00 H new ATOM 0 HZ1 LYS A 8 9.978 -10.074 2.837 1.00 25.00 H new ATOM 0 HZ2 LYS A 8 8.469 -9.389 2.468 1.00 25.00 H new ATOM 0 HZ3 LYS A 8 9.896 -8.623 1.959 1.00 25.00 H new ATOM 135 N LYS A 9 12.204 -3.493 6.991 1.00 25.00 N ATOM 136 CA LYS A 9 13.520 -3.198 7.567 1.00 25.00 C ATOM 137 C LYS A 9 13.371 -2.915 9.061 1.00 25.00 C ATOM 138 O LYS A 9 14.127 -3.434 9.868 1.00 25.00 O ATOM 139 CB LYS A 9 14.195 -2.019 6.861 1.00 25.00 C ATOM 140 CG LYS A 9 14.524 -2.311 5.396 1.00 25.00 C ATOM 141 CD LYS A 9 15.476 -1.274 4.793 1.00 25.00 C ATOM 142 CE LYS A 9 14.825 0.100 4.638 1.00 25.00 C ATOM 143 NZ LYS A 9 15.768 1.061 3.961 1.00 25.00 N ATOM 0 H LYS A 9 11.822 -2.763 6.389 1.00 25.00 H new ATOM 0 HA LYS A 9 14.160 -4.069 7.424 1.00 25.00 H new ATOM 0 HB2 LYS A 9 13.542 -1.148 6.915 1.00 25.00 H new ATOM 0 HB3 LYS A 9 15.113 -1.763 7.390 1.00 25.00 H new ATOM 0 HG2 LYS A 9 14.973 -3.301 5.318 1.00 25.00 H new ATOM 0 HG3 LYS A 9 13.601 -2.333 4.817 1.00 25.00 H new ATOM 0 HD2 LYS A 9 16.359 -1.185 5.426 1.00 25.00 H new ATOM 0 HD3 LYS A 9 15.817 -1.623 3.818 1.00 25.00 H new ATOM 0 HE2 LYS A 9 13.908 0.010 4.055 1.00 25.00 H new ATOM 0 HE3 LYS A 9 14.543 0.487 5.617 1.00 25.00 H new ATOM 0 HZ1 LYS A 9 15.308 1.989 3.865 1.00 25.00 H new ATOM 0 HZ2 LYS A 9 16.632 1.160 4.532 1.00 25.00 H new ATOM 0 HZ3 LYS A 9 16.016 0.698 3.018 1.00 25.00 H new ATOM 157 N LEU A 10 12.358 -2.143 9.434 1.00 25.00 N ATOM 158 CA LEU A 10 12.123 -1.838 10.851 1.00 25.00 C ATOM 159 C LEU A 10 11.657 -3.090 11.605 1.00 25.00 C ATOM 160 O LEU A 10 11.890 -3.226 12.801 1.00 25.00 O ATOM 161 CB LEU A 10 11.159 -0.641 11.011 1.00 25.00 C ATOM 162 CG LEU A 10 9.648 -0.830 11.259 1.00 25.00 C ATOM 163 CD1 LEU A 10 9.318 -1.001 12.746 1.00 25.00 C ATOM 164 CD2 LEU A 10 8.903 0.403 10.731 1.00 25.00 C ATOM 0 H LEU A 10 11.691 -1.719 8.790 1.00 25.00 H new ATOM 0 HA LEU A 10 13.065 -1.532 11.305 1.00 25.00 H new ATOM 0 HB2 LEU A 10 11.539 -0.041 11.837 1.00 25.00 H new ATOM 0 HB3 LEU A 10 11.255 -0.038 10.108 1.00 25.00 H new ATOM 0 HG LEU A 10 9.338 -1.737 10.741 1.00 25.00 H new ATOM 0 HD11 LEU A 10 8.243 -1.131 12.867 1.00 25.00 H new ATOM 0 HD12 LEU A 10 9.835 -1.878 13.135 1.00 25.00 H new ATOM 0 HD13 LEU A 10 9.641 -0.116 13.294 1.00 25.00 H new ATOM 0 HD21 LEU A 10 7.833 0.282 10.900 1.00 25.00 H new ATOM 0 HD22 LEU A 10 9.255 1.292 11.254 1.00 25.00 H new ATOM 0 HD23 LEU A 10 9.091 0.512 9.663 1.00 25.00 H new ATOM 176 N LYS A 11 11.069 -4.042 10.884 1.00 25.00 N ATOM 177 CA LYS A 11 10.666 -5.331 11.462 1.00 25.00 C ATOM 178 C LYS A 11 11.840 -6.070 12.111 1.00 25.00 C ATOM 179 O LYS A 11 11.621 -6.918 12.964 1.00 25.00 O ATOM 180 CB LYS A 11 9.998 -6.242 10.423 1.00 25.00 C ATOM 181 CG LYS A 11 9.109 -7.322 11.066 1.00 25.00 C ATOM 182 CD LYS A 11 8.944 -8.551 10.191 1.00 25.00 C ATOM 183 CE LYS A 11 8.030 -9.578 10.879 1.00 25.00 C ATOM 184 NZ LYS A 11 8.590 -10.055 12.206 1.00 25.00 N ATOM 0 H LYS A 11 10.858 -3.948 9.891 1.00 25.00 H new ATOM 0 HA LYS A 11 9.939 -5.093 12.238 1.00 25.00 H new ATOM 0 HB2 LYS A 11 9.395 -5.635 9.748 1.00 25.00 H new ATOM 0 HB3 LYS A 11 10.767 -6.723 9.819 1.00 25.00 H new ATOM 0 HG2 LYS A 11 9.541 -7.618 12.022 1.00 25.00 H new ATOM 0 HG3 LYS A 11 8.127 -6.898 11.277 1.00 25.00 H new ATOM 0 HD2 LYS A 11 8.521 -8.266 9.228 1.00 25.00 H new ATOM 0 HD3 LYS A 11 9.918 -8.997 9.992 1.00 25.00 H new ATOM 0 HE2 LYS A 11 7.048 -9.135 11.041 1.00 25.00 H new ATOM 0 HE3 LYS A 11 7.889 -10.434 10.219 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 8.064 -10.894 12.523 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 9.594 -10.299 12.091 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 8.496 -9.299 12.914 1.00 25.00 H new ATOM 198 N LYS A 12 13.073 -5.746 11.730 1.00 25.00 N ATOM 199 CA LYS A 12 14.259 -6.331 12.374 1.00 25.00 C ATOM 200 C LYS A 12 14.220 -6.079 13.884 1.00 25.00 C ATOM 201 O LYS A 12 14.583 -6.942 14.666 1.00 25.00 O ATOM 202 CB LYS A 12 15.547 -5.726 11.766 1.00 25.00 C ATOM 203 CG LYS A 12 16.842 -6.410 12.225 1.00 25.00 C ATOM 204 CD LYS A 12 18.113 -5.685 11.715 1.00 25.00 C ATOM 205 CE LYS A 12 18.363 -4.418 12.547 1.00 25.00 C ATOM 206 NZ LYS A 12 19.617 -3.712 12.063 1.00 25.00 N ATOM 0 H LYS A 12 13.283 -5.085 10.982 1.00 25.00 H new ATOM 0 HA LYS A 12 14.258 -7.407 12.199 1.00 25.00 H new ATOM 0 HB2 LYS A 12 15.484 -5.784 10.679 1.00 25.00 H new ATOM 0 HB3 LYS A 12 15.596 -4.669 12.026 1.00 25.00 H new ATOM 0 HG2 LYS A 12 16.862 -6.447 13.314 1.00 25.00 H new ATOM 0 HG3 LYS A 12 16.849 -7.441 11.870 1.00 25.00 H new ATOM 0 HD2 LYS A 12 18.974 -6.351 11.783 1.00 25.00 H new ATOM 0 HD3 LYS A 12 17.995 -5.423 10.664 1.00 25.00 H new ATOM 0 HE2 LYS A 12 17.507 -3.748 12.469 1.00 25.00 H new ATOM 0 HE3 LYS A 12 18.468 -4.680 13.600 1.00 25.00 H new ATOM 0 HZ1 LYS A 12 19.776 -2.857 12.633 1.00 25.00 H new ATOM 0 HZ2 LYS A 12 20.433 -4.349 12.160 1.00 25.00 H new ATOM 0 HZ3 LYS A 12 19.502 -3.446 11.064 1.00 25.00 H new ATOM 220 N ILE A 13 13.726 -4.918 14.282 1.00 25.00 N ATOM 221 CA ILE A 13 13.623 -4.564 15.699 1.00 25.00 C ATOM 222 C ILE A 13 12.465 -5.338 16.334 1.00 25.00 C ATOM 223 O ILE A 13 12.544 -5.780 17.465 1.00 25.00 O ATOM 224 CB ILE A 13 13.385 -3.023 15.868 1.00 25.00 C ATOM 225 CG1 ILE A 13 14.503 -2.232 15.143 1.00 25.00 C ATOM 226 CG2 ILE A 13 13.349 -2.633 17.368 1.00 25.00 C ATOM 227 CD1 ILE A 13 14.222 -0.725 14.995 1.00 25.00 C ATOM 0 H ILE A 13 13.387 -4.198 13.645 1.00 25.00 H new ATOM 0 HA ILE A 13 14.557 -4.826 16.195 1.00 25.00 H new ATOM 0 HB ILE A 13 12.422 -2.773 15.424 1.00 25.00 H new ATOM 0 HG12 ILE A 13 15.437 -2.363 15.689 1.00 25.00 H new ATOM 0 HG13 ILE A 13 14.651 -2.661 14.152 1.00 25.00 H new ATOM 0 HG21 ILE A 13 13.183 -1.560 17.461 1.00 25.00 H new ATOM 0 HG22 ILE A 13 12.540 -3.170 17.864 1.00 25.00 H new ATOM 0 HG23 ILE A 13 14.298 -2.895 17.835 1.00 25.00 H new ATOM 0 HD11 ILE A 13 15.054 -0.249 14.477 1.00 25.00 H new ATOM 0 HD12 ILE A 13 13.307 -0.580 14.421 1.00 25.00 H new ATOM 0 HD13 ILE A 13 14.106 -0.278 15.982 1.00 25.00 H new ATOM 239 N ILE A 14 11.397 -5.522 15.567 1.00 25.00 N ATOM 240 CA ILE A 14 10.198 -6.246 16.031 1.00 25.00 C ATOM 241 C ILE A 14 10.563 -7.717 16.276 1.00 25.00 C ATOM 242 O ILE A 14 9.989 -8.391 17.121 1.00 25.00 O ATOM 243 CB ILE A 14 9.050 -6.144 14.960 1.00 25.00 C ATOM 244 CG1 ILE A 14 8.703 -4.659 14.725 1.00 25.00 C ATOM 245 CG2 ILE A 14 7.777 -6.933 15.401 1.00 25.00 C ATOM 246 CD1 ILE A 14 7.591 -4.403 13.678 1.00 25.00 C ATOM 0 H ILE A 14 11.328 -5.179 14.609 1.00 25.00 H new ATOM 0 HA ILE A 14 9.842 -5.799 16.959 1.00 25.00 H new ATOM 0 HB ILE A 14 9.405 -6.593 14.032 1.00 25.00 H new ATOM 0 HG12 ILE A 14 8.396 -4.219 15.674 1.00 25.00 H new ATOM 0 HG13 ILE A 14 9.606 -4.136 14.409 1.00 25.00 H new ATOM 0 HG21 ILE A 14 7.007 -6.838 14.635 1.00 25.00 H new ATOM 0 HG22 ILE A 14 8.029 -7.985 15.534 1.00 25.00 H new ATOM 0 HG23 ILE A 14 7.405 -6.527 16.342 1.00 25.00 H new ATOM 0 HD11 ILE A 14 7.420 -3.331 13.584 1.00 25.00 H new ATOM 0 HD12 ILE A 14 7.899 -4.807 12.714 1.00 25.00 H new ATOM 0 HD13 ILE A 14 6.670 -4.891 13.998 1.00 25.00 H new ATOM 258 N ALA A 15 11.533 -8.195 15.518 1.00 25.00 N ATOM 259 CA ALA A 15 12.017 -9.570 15.625 1.00 25.00 C ATOM 260 C ALA A 15 12.954 -9.791 16.832 1.00 25.00 C ATOM 261 O ALA A 15 13.537 -10.876 16.973 1.00 25.00 O ATOM 262 CB ALA A 15 12.734 -9.961 14.321 1.00 25.00 C ATOM 0 H ALA A 15 12.013 -7.643 14.807 1.00 25.00 H new ATOM 0 HA ALA A 15 11.148 -10.207 15.788 1.00 25.00 H new ATOM 0 HB1 ALA A 15 13.096 -10.986 14.398 1.00 25.00 H new ATOM 0 HB2 ALA A 15 12.038 -9.884 13.486 1.00 25.00 H new ATOM 0 HB3 ALA A 15 13.577 -9.290 14.154 1.00 25.00 H new ATOM 268 N LYS A 16 13.155 -8.734 17.650 1.00 25.00 N ATOM 269 CA LYS A 16 14.068 -8.725 18.834 1.00 25.00 C ATOM 270 C LYS A 16 13.388 -8.326 20.153 1.00 25.00 C ATOM 271 O LYS A 16 13.524 -8.985 21.160 1.00 25.00 O ATOM 272 CB LYS A 16 15.350 -7.860 18.577 1.00 25.00 C ATOM 273 CG LYS A 16 16.281 -8.438 17.458 1.00 25.00 C ATOM 274 CD LYS A 16 16.985 -9.762 17.876 1.00 25.00 C ATOM 275 CE LYS A 16 17.636 -10.452 16.663 1.00 25.00 C ATOM 276 NZ LYS A 16 18.169 -11.789 17.105 1.00 25.00 N ATOM 0 H LYS A 16 12.682 -7.841 17.510 1.00 25.00 H new ATOM 0 HA LYS A 16 14.372 -9.764 18.960 1.00 25.00 H new ATOM 0 HB2 LYS A 16 15.047 -6.850 18.301 1.00 25.00 H new ATOM 0 HB3 LYS A 16 15.917 -7.781 19.505 1.00 25.00 H new ATOM 0 HG2 LYS A 16 15.692 -8.615 16.558 1.00 25.00 H new ATOM 0 HG3 LYS A 16 17.037 -7.696 17.203 1.00 25.00 H new ATOM 0 HD2 LYS A 16 17.744 -9.551 18.629 1.00 25.00 H new ATOM 0 HD3 LYS A 16 16.259 -10.434 18.334 1.00 25.00 H new ATOM 0 HE2 LYS A 16 16.907 -10.580 15.863 1.00 25.00 H new ATOM 0 HE3 LYS A 16 18.442 -9.836 16.264 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 18.613 -12.270 16.297 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 18.875 -11.650 17.856 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 17.388 -12.372 17.468 1.00 25.00 H new TER 290 LYS A 16 HETATM 291 N NH2 A 101 12.632 -7.126 20.138 1.00 25.00 N