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+ -110:sc= 0.00904 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc=-0.00148 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.194 -2.657 -0.060 1.00 25.00 N ATOM 2 CA GLY A 1 2.147 -1.171 0.024 1.00 25.00 C ATOM 3 C GLY A 1 3.503 -0.494 0.018 1.00 25.00 C ATOM 4 O GLY A 1 4.537 -1.102 0.212 1.00 25.00 O ATOM 0 H1 GLY A 1 1.841 -2.964 -0.989 1.00 25.00 H new ATOM 0 H2 GLY A 1 3.175 -2.981 0.061 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.599 -3.066 0.689 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.563 -0.791 -0.814 1.00 25.00 H new ATOM 0 HA3 GLY A 1 1.619 -0.888 0.935 1.00 25.00 H new ATOM 10 N ILE A 2 3.495 0.829 -0.187 1.00 25.00 N ATOM 11 CA ILE A 2 4.724 1.633 -0.264 1.00 25.00 C ATOM 12 C ILE A 2 5.509 1.522 1.046 1.00 25.00 C ATOM 13 O ILE A 2 6.730 1.353 1.049 1.00 25.00 O ATOM 14 CB ILE A 2 4.385 3.144 -0.546 1.00 25.00 C ATOM 15 CG1 ILE A 2 3.552 3.270 -1.841 1.00 25.00 C ATOM 16 CG2 ILE A 2 5.682 3.983 -0.657 1.00 25.00 C ATOM 17 CD1 ILE A 2 2.924 4.663 -2.054 1.00 25.00 C ATOM 0 H ILE A 2 2.640 1.372 -0.304 1.00 25.00 H new ATOM 0 HA ILE A 2 5.330 1.249 -1.085 1.00 25.00 H new ATOM 0 HB ILE A 2 3.798 3.528 0.288 1.00 25.00 H new ATOM 0 HG12 ILE A 2 4.189 3.036 -2.694 1.00 25.00 H new ATOM 0 HG13 ILE A 2 2.757 2.524 -1.823 1.00 25.00 H new ATOM 0 HG21 ILE A 2 5.426 5.024 -0.852 1.00 25.00 H new ATOM 0 HG22 ILE A 2 6.240 3.915 0.277 1.00 25.00 H new ATOM 0 HG23 ILE A 2 6.294 3.601 -1.474 1.00 25.00 H new ATOM 0 HD11 ILE A 2 2.356 4.668 -2.984 1.00 25.00 H new ATOM 0 HD12 ILE A 2 2.259 4.893 -1.222 1.00 25.00 H new ATOM 0 HD13 ILE A 2 3.713 5.414 -2.106 1.00 25.00 H new ATOM 29 N LEU A 3 4.797 1.573 2.164 1.00 25.00 N ATOM 30 CA LEU A 3 5.417 1.494 3.481 1.00 25.00 C ATOM 31 C LEU A 3 6.143 0.175 3.715 1.00 25.00 C ATOM 32 O LEU A 3 7.109 0.135 4.460 1.00 25.00 O ATOM 33 CB LEU A 3 4.338 1.687 4.562 1.00 25.00 C ATOM 34 CG LEU A 3 4.795 1.722 6.035 1.00 25.00 C ATOM 35 CD1 LEU A 3 5.789 2.860 6.308 1.00 25.00 C ATOM 36 CD2 LEU A 3 3.581 1.873 6.942 1.00 25.00 C ATOM 0 H LEU A 3 3.782 1.669 2.185 1.00 25.00 H new ATOM 0 HA LEU A 3 6.166 2.284 3.536 1.00 25.00 H new ATOM 0 HB2 LEU A 3 3.815 2.620 4.351 1.00 25.00 H new ATOM 0 HB3 LEU A 3 3.610 0.883 4.456 1.00 25.00 H new ATOM 0 HG LEU A 3 5.307 0.783 6.243 1.00 25.00 H new ATOM 0 HD11 LEU A 3 6.081 2.844 7.358 1.00 25.00 H new ATOM 0 HD12 LEU A 3 6.672 2.729 5.683 1.00 25.00 H new ATOM 0 HD13 LEU A 3 5.320 3.816 6.077 1.00 25.00 H new ATOM 0 HD21 LEU A 3 3.905 1.898 7.982 1.00 25.00 H new ATOM 0 HD22 LEU A 3 3.061 2.800 6.702 1.00 25.00 H new ATOM 0 HD23 LEU A 3 2.907 1.029 6.792 1.00 25.00 H new ATOM 48 N SER A 4 5.690 -0.898 3.074 1.00 25.00 N ATOM 49 CA SER A 4 6.197 -2.252 3.328 1.00 25.00 C ATOM 50 C SER A 4 7.718 -2.401 3.222 1.00 25.00 C ATOM 51 O SER A 4 8.312 -3.192 3.950 1.00 25.00 O ATOM 52 CB SER A 4 5.516 -3.241 2.367 1.00 25.00 C ATOM 53 OG SER A 4 5.785 -4.591 2.697 1.00 25.00 O ATOM 0 H SER A 4 4.960 -0.858 2.362 1.00 25.00 H new ATOM 0 HA SER A 4 5.952 -2.470 4.367 1.00 25.00 H new ATOM 0 HB2 SER A 4 4.439 -3.074 2.383 1.00 25.00 H new ATOM 0 HB3 SER A 4 5.854 -3.045 1.349 1.00 25.00 H new ATOM 0 HG SER A 4 5.330 -5.180 2.060 1.00 25.00 H new ATOM 59 N SER A 5 8.360 -1.631 2.357 1.00 25.00 N ATOM 60 CA SER A 5 9.821 -1.709 2.228 1.00 25.00 C ATOM 61 C SER A 5 10.510 -1.228 3.511 1.00 25.00 C ATOM 62 O SER A 5 11.352 -1.921 4.081 1.00 25.00 O ATOM 63 CB SER A 5 10.290 -0.873 1.033 1.00 25.00 C ATOM 64 OG SER A 5 11.691 -0.950 0.878 1.00 25.00 O ATOM 0 H SER A 5 7.910 -0.954 1.741 1.00 25.00 H new ATOM 0 HA SER A 5 10.094 -2.751 2.063 1.00 25.00 H new ATOM 0 HB2 SER A 5 9.801 -1.225 0.125 1.00 25.00 H new ATOM 0 HB3 SER A 5 9.993 0.166 1.173 1.00 25.00 H new ATOM 0 HG SER A 5 11.965 -0.409 0.108 1.00 25.00 H new ATOM 70 N LEU A 6 10.107 -0.063 3.996 1.00 25.00 N ATOM 71 CA LEU A 6 10.650 0.473 5.234 1.00 25.00 C ATOM 72 C LEU A 6 10.179 -0.379 6.408 1.00 25.00 C ATOM 73 O LEU A 6 10.935 -0.656 7.332 1.00 25.00 O ATOM 74 CB LEU A 6 10.185 1.921 5.412 1.00 25.00 C ATOM 75 CG LEU A 6 10.617 2.630 6.707 1.00 25.00 C ATOM 76 CD1 LEU A 6 12.144 2.740 6.821 1.00 25.00 C ATOM 77 CD2 LEU A 6 9.989 4.019 6.765 1.00 25.00 C ATOM 0 H LEU A 6 9.406 0.529 3.551 1.00 25.00 H new ATOM 0 HA LEU A 6 11.739 0.453 5.196 1.00 25.00 H new ATOM 0 HB2 LEU A 6 10.552 2.503 4.567 1.00 25.00 H new ATOM 0 HB3 LEU A 6 9.096 1.938 5.362 1.00 25.00 H new ATOM 0 HG LEU A 6 10.269 2.029 7.547 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.404 3.247 7.750 1.00 25.00 H new ATOM 0 HD12 LEU A 6 12.582 1.742 6.818 1.00 25.00 H new ATOM 0 HD13 LEU A 6 12.532 3.309 5.976 1.00 25.00 H new ATOM 0 HD21 LEU A 6 10.296 4.519 7.683 1.00 25.00 H new ATOM 0 HD22 LEU A 6 10.318 4.603 5.906 1.00 25.00 H new ATOM 0 HD23 LEU A 6 8.903 3.928 6.747 1.00 25.00 H new ATOM 89 N TRP A 7 8.931 -0.813 6.342 1.00 25.00 N ATOM 90 CA TRP A 7 8.325 -1.603 7.398 1.00 25.00 C ATOM 91 C TRP A 7 9.097 -2.896 7.646 1.00 25.00 C ATOM 92 O TRP A 7 9.395 -3.238 8.781 1.00 25.00 O ATOM 93 CB TRP A 7 6.879 -1.925 7.027 1.00 25.00 C ATOM 94 CG TRP A 7 6.102 -2.440 8.160 1.00 25.00 C ATOM 95 CD1 TRP A 7 5.258 -1.754 8.961 1.00 25.00 C ATOM 96 CD2 TRP A 7 6.069 -3.804 8.650 1.00 25.00 C ATOM 97 NE1 TRP A 7 4.703 -2.548 9.905 1.00 25.00 N ATOM 98 CE2 TRP A 7 5.188 -3.822 9.755 1.00 25.00 C ATOM 99 CE3 TRP A 7 6.688 -5.003 8.258 1.00 25.00 C ATOM 100 CZ2 TRP A 7 4.918 -5.001 10.500 1.00 25.00 C ATOM 101 CZ3 TRP A 7 6.424 -6.180 8.981 1.00 25.00 C ATOM 102 CH2 TRP A 7 5.541 -6.162 10.096 1.00 25.00 C ATOM 0 H TRP A 7 8.310 -0.627 5.554 1.00 25.00 H new ATOM 0 HA TRP A 7 8.352 -1.018 8.318 1.00 25.00 H new ATOM 0 HB2 TRP A 7 6.399 -1.025 6.642 1.00 25.00 H new ATOM 0 HB3 TRP A 7 6.870 -2.660 6.222 1.00 25.00 H new ATOM 0 HD1 TRP A 7 5.051 -0.699 8.860 1.00 25.00 H new ATOM 0 HE1 TRP A 7 4.033 -2.248 10.613 1.00 25.00 H new ATOM 0 HE3 TRP A 7 7.359 -5.020 7.412 1.00 25.00 H new ATOM 0 HZ2 TRP A 7 4.251 -4.988 11.349 1.00 25.00 H new ATOM 0 HZ3 TRP A 7 6.896 -7.106 8.687 1.00 25.00 H new ATOM 0 HH2 TRP A 7 5.355 -7.078 10.638 1.00 25.00 H new ATOM 113 N LYS A 8 9.451 -3.612 6.600 1.00 25.00 N ATOM 114 CA LYS A 8 10.175 -4.874 6.793 1.00 25.00 C ATOM 115 C LYS A 8 11.603 -4.630 7.269 1.00 25.00 C ATOM 116 O LYS A 8 12.168 -5.457 7.978 1.00 25.00 O ATOM 117 CB LYS A 8 10.162 -5.703 5.512 1.00 25.00 C ATOM 118 CG LYS A 8 8.779 -6.295 5.227 1.00 25.00 C ATOM 119 CD LYS A 8 8.787 -7.136 3.966 1.00 25.00 C ATOM 120 CE LYS A 8 7.382 -7.657 3.654 1.00 25.00 C ATOM 121 NZ LYS A 8 7.376 -8.466 2.385 1.00 25.00 N ATOM 0 H LYS A 8 9.262 -3.362 5.630 1.00 25.00 H new ATOM 0 HA LYS A 8 9.661 -5.437 7.572 1.00 25.00 H new ATOM 0 HB2 LYS A 8 10.469 -5.079 4.673 1.00 25.00 H new ATOM 0 HB3 LYS A 8 10.892 -6.509 5.594 1.00 25.00 H new ATOM 0 HG2 LYS A 8 8.462 -6.906 6.072 1.00 25.00 H new ATOM 0 HG3 LYS A 8 8.051 -5.490 5.125 1.00 25.00 H new ATOM 0 HD2 LYS A 8 9.154 -6.542 3.129 1.00 25.00 H new ATOM 0 HD3 LYS A 8 9.473 -7.975 4.087 1.00 25.00 H new ATOM 0 HE2 LYS A 8 7.025 -8.270 4.482 1.00 25.00 H new ATOM 0 HE3 LYS A 8 6.692 -6.818 3.558 1.00 25.00 H new ATOM 0 HZ1 LYS A 8 6.412 -8.808 2.196 1.00 25.00 H new ATOM 0 HZ2 LYS A 8 7.695 -7.872 1.593 1.00 25.00 H new ATOM 0 HZ3 LYS A 8 8.017 -9.278 2.488 1.00 25.00 H new ATOM 135 N LYS A 9 12.161 -3.471 6.953 1.00 25.00 N ATOM 136 CA LYS A 9 13.498 -3.120 7.452 1.00 25.00 C ATOM 137 C LYS A 9 13.434 -2.847 8.959 1.00 25.00 C ATOM 138 O LYS A 9 14.274 -3.330 9.717 1.00 25.00 O ATOM 139 CB LYS A 9 14.044 -1.897 6.705 1.00 25.00 C ATOM 140 CG LYS A 9 15.507 -1.601 7.006 1.00 25.00 C ATOM 141 CD LYS A 9 15.977 -0.378 6.237 1.00 25.00 C ATOM 142 CE LYS A 9 17.454 -0.107 6.515 1.00 25.00 C ATOM 143 NZ LYS A 9 17.938 1.112 5.770 1.00 25.00 N ATOM 0 H LYS A 9 11.724 -2.762 6.364 1.00 25.00 H new ATOM 0 HA LYS A 9 14.174 -3.956 7.274 1.00 25.00 H new ATOM 0 HB2 LYS A 9 13.927 -2.055 5.633 1.00 25.00 H new ATOM 0 HB3 LYS A 9 13.444 -1.025 6.966 1.00 25.00 H new ATOM 0 HG2 LYS A 9 15.637 -1.436 8.076 1.00 25.00 H new ATOM 0 HG3 LYS A 9 16.120 -2.462 6.739 1.00 25.00 H new ATOM 0 HD2 LYS A 9 15.824 -0.532 5.169 1.00 25.00 H new ATOM 0 HD3 LYS A 9 15.382 0.489 6.523 1.00 25.00 H new ATOM 0 HE2 LYS A 9 17.605 0.035 7.585 1.00 25.00 H new ATOM 0 HE3 LYS A 9 18.046 -0.974 6.222 1.00 25.00 H new ATOM 0 HZ1 LYS A 9 18.944 1.270 5.979 1.00 25.00 H new ATOM 0 HZ2 LYS A 9 17.816 0.965 4.748 1.00 25.00 H new ATOM 0 HZ3 LYS A 9 17.388 1.943 6.069 1.00 25.00 H new ATOM 157 N LEU A 10 12.421 -2.110 9.401 1.00 25.00 N ATOM 158 CA LEU A 10 12.263 -1.835 10.834 1.00 25.00 C ATOM 159 C LEU A 10 11.753 -3.069 11.586 1.00 25.00 C ATOM 160 O LEU A 10 11.980 -3.196 12.787 1.00 25.00 O ATOM 161 CB LEU A 10 11.392 -0.590 11.090 1.00 25.00 C ATOM 162 CG LEU A 10 9.914 -0.551 10.653 1.00 25.00 C ATOM 163 CD1 LEU A 10 8.975 -1.276 11.610 1.00 25.00 C ATOM 164 CD2 LEU A 10 9.485 0.906 10.528 1.00 25.00 C ATOM 0 H LEU A 10 11.705 -1.696 8.804 1.00 25.00 H new ATOM 0 HA LEU A 10 13.251 -1.604 11.233 1.00 25.00 H new ATOM 0 HB2 LEU A 10 11.413 -0.401 12.163 1.00 25.00 H new ATOM 0 HB3 LEU A 10 11.889 0.252 10.609 1.00 25.00 H new ATOM 0 HG LEU A 10 9.844 -1.074 9.699 1.00 25.00 H new ATOM 0 HD11 LEU A 10 7.953 -1.207 11.239 1.00 25.00 H new ATOM 0 HD12 LEU A 10 9.266 -2.324 11.680 1.00 25.00 H new ATOM 0 HD13 LEU A 10 9.034 -0.816 12.596 1.00 25.00 H new ATOM 0 HD21 LEU A 10 8.441 0.953 10.219 1.00 25.00 H new ATOM 0 HD22 LEU A 10 9.601 1.403 11.491 1.00 25.00 H new ATOM 0 HD23 LEU A 10 10.106 1.406 9.784 1.00 25.00 H new ATOM 176 N LYS A 11 11.150 -4.014 10.873 1.00 25.00 N ATOM 177 CA LYS A 11 10.715 -5.281 11.476 1.00 25.00 C ATOM 178 C LYS A 11 11.874 -6.023 12.121 1.00 25.00 C ATOM 179 O LYS A 11 11.666 -6.846 12.989 1.00 25.00 O ATOM 180 CB LYS A 11 10.041 -6.211 10.456 1.00 25.00 C ATOM 181 CG LYS A 11 9.131 -7.257 11.118 1.00 25.00 C ATOM 182 CD LYS A 11 8.940 -8.499 10.266 1.00 25.00 C ATOM 183 CE LYS A 11 7.947 -9.445 10.950 1.00 25.00 C ATOM 184 NZ LYS A 11 7.731 -10.722 10.194 1.00 25.00 N ATOM 0 H LYS A 11 10.949 -3.932 9.876 1.00 25.00 H new ATOM 0 HA LYS A 11 9.987 -5.009 12.240 1.00 25.00 H new ATOM 0 HB2 LYS A 11 9.454 -5.614 9.759 1.00 25.00 H new ATOM 0 HB3 LYS A 11 10.808 -6.720 9.872 1.00 25.00 H new ATOM 0 HG2 LYS A 11 9.556 -7.544 12.080 1.00 25.00 H new ATOM 0 HG3 LYS A 11 8.158 -6.809 11.321 1.00 25.00 H new ATOM 0 HD2 LYS A 11 8.572 -8.221 9.278 1.00 25.00 H new ATOM 0 HD3 LYS A 11 9.896 -9.002 10.120 1.00 25.00 H new ATOM 0 HE2 LYS A 11 8.309 -9.680 11.951 1.00 25.00 H new ATOM 0 HE3 LYS A 11 6.991 -8.934 11.068 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 7.050 -11.318 10.707 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 7.358 -10.506 9.248 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 8.635 -11.228 10.103 1.00 25.00 H new ATOM 198 N LYS A 12 13.098 -5.735 11.713 1.00 25.00 N ATOM 199 CA LYS A 12 14.262 -6.366 12.337 1.00 25.00 C ATOM 200 C LYS A 12 14.275 -6.098 13.849 1.00 25.00 C ATOM 201 O LYS A 12 14.680 -6.951 14.630 1.00 25.00 O ATOM 202 CB LYS A 12 15.551 -5.863 11.659 1.00 25.00 C ATOM 203 CG LYS A 12 16.745 -6.830 11.731 1.00 25.00 C ATOM 204 CD LYS A 12 17.586 -6.653 12.994 1.00 25.00 C ATOM 205 CE LYS A 12 18.782 -7.586 12.992 1.00 25.00 C ATOM 206 NZ LYS A 12 19.562 -7.455 14.270 1.00 25.00 N ATOM 0 H LYS A 12 13.317 -5.079 10.964 1.00 25.00 H new ATOM 0 HA LYS A 12 14.204 -7.446 12.200 1.00 25.00 H new ATOM 0 HB2 LYS A 12 15.335 -5.655 10.611 1.00 25.00 H new ATOM 0 HB3 LYS A 12 15.840 -4.918 12.119 1.00 25.00 H new ATOM 0 HG2 LYS A 12 16.377 -7.855 11.688 1.00 25.00 H new ATOM 0 HG3 LYS A 12 17.378 -6.681 10.856 1.00 25.00 H new ATOM 0 HD2 LYS A 12 17.927 -5.620 13.065 1.00 25.00 H new ATOM 0 HD3 LYS A 12 16.972 -6.847 13.873 1.00 25.00 H new ATOM 0 HE2 LYS A 12 18.446 -8.616 12.870 1.00 25.00 H new ATOM 0 HE3 LYS A 12 19.426 -7.358 12.143 1.00 25.00 H new ATOM 0 HZ1 LYS A 12 20.376 -8.102 14.248 1.00 25.00 H new ATOM 0 HZ2 LYS A 12 19.900 -6.477 14.372 1.00 25.00 H new ATOM 0 HZ3 LYS A 12 18.951 -7.696 15.076 1.00 25.00 H new ATOM 220 N ILE A 13 13.792 -4.933 14.249 1.00 25.00 N ATOM 221 CA ILE A 13 13.683 -4.566 15.665 1.00 25.00 C ATOM 222 C ILE A 13 12.521 -5.337 16.315 1.00 25.00 C ATOM 223 O ILE A 13 12.612 -5.788 17.444 1.00 25.00 O ATOM 224 CB ILE A 13 13.410 -3.022 15.810 1.00 25.00 C ATOM 225 CG1 ILE A 13 14.493 -2.208 15.060 1.00 25.00 C ATOM 226 CG2 ILE A 13 13.364 -2.609 17.305 1.00 25.00 C ATOM 227 CD1 ILE A 13 14.161 -0.713 14.899 1.00 25.00 C ATOM 0 H ILE A 13 13.463 -4.211 13.608 1.00 25.00 H new ATOM 0 HA ILE A 13 14.621 -4.818 16.160 1.00 25.00 H new ATOM 0 HB ILE A 13 12.439 -2.805 15.364 1.00 25.00 H new ATOM 0 HG12 ILE A 13 15.438 -2.303 15.595 1.00 25.00 H new ATOM 0 HG13 ILE A 13 14.640 -2.644 14.072 1.00 25.00 H new ATOM 0 HG21 ILE A 13 13.174 -1.538 17.381 1.00 25.00 H new ATOM 0 HG22 ILE A 13 12.567 -3.155 17.809 1.00 25.00 H new ATOM 0 HG23 ILE A 13 14.319 -2.843 17.777 1.00 25.00 H new ATOM 0 HD11 ILE A 13 14.970 -0.216 14.364 1.00 25.00 H new ATOM 0 HD12 ILE A 13 13.234 -0.605 14.337 1.00 25.00 H new ATOM 0 HD13 ILE A 13 14.044 -0.258 15.883 1.00 25.00 H new ATOM 239 N ILE A 14 11.435 -5.482 15.566 1.00 25.00 N ATOM 240 CA ILE A 14 10.199 -6.123 16.053 1.00 25.00 C ATOM 241 C ILE A 14 10.384 -7.633 16.241 1.00 25.00 C ATOM 242 O ILE A 14 9.775 -8.255 17.100 1.00 25.00 O ATOM 243 CB ILE A 14 9.026 -5.864 15.027 1.00 25.00 C ATOM 244 CG1 ILE A 14 8.818 -4.342 14.854 1.00 25.00 C ATOM 245 CG2 ILE A 14 7.699 -6.542 15.481 1.00 25.00 C ATOM 246 CD1 ILE A 14 7.702 -3.940 13.847 1.00 25.00 C ATOM 0 H ILE A 14 11.377 -5.161 14.600 1.00 25.00 H new ATOM 0 HA ILE A 14 9.955 -5.686 17.021 1.00 25.00 H new ATOM 0 HB ILE A 14 9.307 -6.308 14.072 1.00 25.00 H new ATOM 0 HG12 ILE A 14 8.581 -3.910 15.826 1.00 25.00 H new ATOM 0 HG13 ILE A 14 9.758 -3.897 14.528 1.00 25.00 H new ATOM 0 HG21 ILE A 14 6.918 -6.340 14.748 1.00 25.00 H new ATOM 0 HG22 ILE A 14 7.850 -7.618 15.563 1.00 25.00 H new ATOM 0 HG23 ILE A 14 7.400 -6.143 16.450 1.00 25.00 H new ATOM 0 HD11 ILE A 14 7.633 -2.853 13.795 1.00 25.00 H new ATOM 0 HD12 ILE A 14 7.943 -4.336 12.860 1.00 25.00 H new ATOM 0 HD13 ILE A 14 6.748 -4.349 14.179 1.00 25.00 H new ATOM 258 N ALA A 15 11.226 -8.211 15.404 1.00 25.00 N ATOM 259 CA ALA A 15 11.445 -9.658 15.365 1.00 25.00 C ATOM 260 C ALA A 15 12.177 -10.237 16.591 1.00 25.00 C ATOM 261 O ALA A 15 12.410 -11.450 16.644 1.00 25.00 O ATOM 262 CB ALA A 15 12.221 -9.999 14.079 1.00 25.00 C ATOM 0 H ALA A 15 11.784 -7.693 14.725 1.00 25.00 H new ATOM 0 HA ALA A 15 10.459 -10.123 15.380 1.00 25.00 H new ATOM 0 HB1 ALA A 15 12.394 -11.074 14.033 1.00 25.00 H new ATOM 0 HB2 ALA A 15 11.641 -9.687 13.210 1.00 25.00 H new ATOM 0 HB3 ALA A 15 13.178 -9.478 14.083 1.00 25.00 H new ATOM 268 N LYS A 16 12.569 -9.370 17.560 1.00 25.00 N ATOM 269 CA LYS A 16 13.276 -9.782 18.819 1.00 25.00 C ATOM 270 C LYS A 16 12.671 -9.230 20.144 1.00 25.00 C ATOM 271 O LYS A 16 13.168 -9.467 21.227 1.00 25.00 O ATOM 272 CB LYS A 16 14.808 -9.500 18.729 1.00 25.00 C ATOM 273 CG LYS A 16 15.552 -10.621 17.941 1.00 25.00 C ATOM 274 CD LYS A 16 17.046 -10.736 18.356 1.00 25.00 C ATOM 275 CE LYS A 16 17.678 -12.011 17.756 1.00 25.00 C ATOM 276 NZ LYS A 16 19.032 -12.226 18.388 1.00 25.00 N ATOM 0 H LYS A 16 12.408 -8.365 17.499 1.00 25.00 H new ATOM 0 HA LYS A 16 13.113 -10.858 18.880 1.00 25.00 H new ATOM 0 HB2 LYS A 16 14.974 -8.540 18.241 1.00 25.00 H new ATOM 0 HB3 LYS A 16 15.224 -9.423 19.733 1.00 25.00 H new ATOM 0 HG2 LYS A 16 15.054 -11.575 18.113 1.00 25.00 H new ATOM 0 HG3 LYS A 16 15.488 -10.416 16.872 1.00 25.00 H new ATOM 0 HD2 LYS A 16 17.593 -9.857 18.015 1.00 25.00 H new ATOM 0 HD3 LYS A 16 17.127 -10.760 19.443 1.00 25.00 H new ATOM 0 HE2 LYS A 16 17.035 -12.872 17.938 1.00 25.00 H new ATOM 0 HE3 LYS A 16 17.778 -11.910 16.675 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 19.468 -13.083 17.991 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 19.641 -11.406 18.193 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 18.921 -12.338 19.416 1.00 25.00 H new TER 290 LYS A 16 HETATM 291 N NH2 A 101 11.480 -8.478 20.022 1.00 25.00 N