USER MOD reduce.3.24.130724 H: found=0, std=0, add=161, rem=0, adj=5 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+ 177:sc= -0.281 (180deg=-0.384) USER MOD Single : A 4 SER OG : rot 82:sc= 1.21 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+ 177:sc= 0 (180deg=-0.0301) USER MOD Single : A 12 LYS NZ :NH3+ -171:sc=-0.00582 (180deg=-0.0894) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.490 0.781 -0.806 1.00 25.00 N ATOM 2 CA GLY A 1 2.389 -0.348 -0.408 1.00 25.00 C ATOM 3 C GLY A 1 3.820 0.084 -0.191 1.00 25.00 C ATOM 4 O GLY A 1 4.745 -0.675 0.012 1.00 25.00 O ATOM 0 H1 GLY A 1 0.534 0.415 -0.990 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.451 1.481 -0.038 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.860 1.232 -1.667 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.010 -0.802 0.508 1.00 25.00 H new ATOM 0 HA3 GLY A 1 2.361 -1.117 -1.180 1.00 25.00 H new ATOM 10 N ILE A 2 3.961 1.408 -0.215 1.00 25.00 N ATOM 11 CA ILE A 2 5.244 2.100 -0.056 1.00 25.00 C ATOM 12 C ILE A 2 5.814 1.818 1.335 1.00 25.00 C ATOM 13 O ILE A 2 7.001 1.520 1.491 1.00 25.00 O ATOM 14 CB ILE A 2 5.067 3.649 -0.240 1.00 25.00 C ATOM 15 CG1 ILE A 2 4.454 3.956 -1.627 1.00 25.00 C ATOM 16 CG2 ILE A 2 6.428 4.383 -0.077 1.00 25.00 C ATOM 17 CD1 ILE A 2 3.988 5.414 -1.809 1.00 25.00 C ATOM 0 H ILE A 2 3.174 2.044 -0.348 1.00 25.00 H new ATOM 0 HA ILE A 2 5.930 1.731 -0.819 1.00 25.00 H new ATOM 0 HB ILE A 2 4.389 4.011 0.533 1.00 25.00 H new ATOM 0 HG12 ILE A 2 5.191 3.724 -2.396 1.00 25.00 H new ATOM 0 HG13 ILE A 2 3.604 3.293 -1.790 1.00 25.00 H new ATOM 0 HG21 ILE A 2 6.281 5.455 -0.209 1.00 25.00 H new ATOM 0 HG22 ILE A 2 6.828 4.191 0.919 1.00 25.00 H new ATOM 0 HG23 ILE A 2 7.130 4.018 -0.827 1.00 25.00 H new ATOM 0 HD11 ILE A 2 3.572 5.541 -2.808 1.00 25.00 H new ATOM 0 HD12 ILE A 2 3.225 5.648 -1.066 1.00 25.00 H new ATOM 0 HD13 ILE A 2 4.837 6.086 -1.681 1.00 25.00 H new ATOM 29 N LEU A 3 4.948 1.881 2.339 1.00 25.00 N ATOM 30 CA LEU A 3 5.358 1.675 3.727 1.00 25.00 C ATOM 31 C LEU A 3 5.970 0.300 3.939 1.00 25.00 C ATOM 32 O LEU A 3 6.938 0.166 4.657 1.00 25.00 O ATOM 33 CB LEU A 3 4.146 1.837 4.659 1.00 25.00 C ATOM 34 CG LEU A 3 4.387 1.645 6.174 1.00 25.00 C ATOM 35 CD1 LEU A 3 5.408 2.642 6.726 1.00 25.00 C ATOM 36 CD2 LEU A 3 3.061 1.802 6.914 1.00 25.00 C ATOM 0 H LEU A 3 3.954 2.074 2.220 1.00 25.00 H new ATOM 0 HA LEU A 3 6.116 2.424 3.959 1.00 25.00 H new ATOM 0 HB2 LEU A 3 3.734 2.835 4.507 1.00 25.00 H new ATOM 0 HB3 LEU A 3 3.382 1.125 4.346 1.00 25.00 H new ATOM 0 HG LEU A 3 4.793 0.645 6.327 1.00 25.00 H new ATOM 0 HD11 LEU A 3 5.545 2.469 7.793 1.00 25.00 H new ATOM 0 HD12 LEU A 3 6.360 2.510 6.212 1.00 25.00 H new ATOM 0 HD13 LEU A 3 5.047 3.658 6.566 1.00 25.00 H new ATOM 0 HD21 LEU A 3 3.223 1.668 7.983 1.00 25.00 H new ATOM 0 HD22 LEU A 3 2.657 2.798 6.730 1.00 25.00 H new ATOM 0 HD23 LEU A 3 2.354 1.053 6.557 1.00 25.00 H new ATOM 48 N SER A 4 5.413 -0.720 3.303 1.00 25.00 N ATOM 49 CA SER A 4 5.841 -2.099 3.533 1.00 25.00 C ATOM 50 C SER A 4 7.330 -2.364 3.307 1.00 25.00 C ATOM 51 O SER A 4 7.896 -3.265 3.925 1.00 25.00 O ATOM 52 CB SER A 4 5.033 -3.030 2.636 1.00 25.00 C ATOM 53 OG SER A 4 3.977 -2.315 2.018 1.00 25.00 O ATOM 0 H SER A 4 4.661 -0.622 2.621 1.00 25.00 H new ATOM 0 HA SER A 4 5.662 -2.288 4.592 1.00 25.00 H new ATOM 0 HB2 SER A 4 5.680 -3.468 1.876 1.00 25.00 H new ATOM 0 HB3 SER A 4 4.629 -3.854 3.224 1.00 25.00 H new ATOM 0 HG SER A 4 4.318 -1.846 1.228 1.00 25.00 H new ATOM 59 N SER A 5 7.973 -1.600 2.436 1.00 25.00 N ATOM 60 CA SER A 5 9.397 -1.798 2.178 1.00 25.00 C ATOM 61 C SER A 5 10.230 -1.396 3.393 1.00 25.00 C ATOM 62 O SER A 5 11.110 -2.141 3.839 1.00 25.00 O ATOM 63 CB SER A 5 9.820 -0.969 0.966 1.00 25.00 C ATOM 64 OG SER A 5 9.036 -1.319 -0.162 1.00 25.00 O ATOM 0 H SER A 5 7.541 -0.846 1.901 1.00 25.00 H new ATOM 0 HA SER A 5 9.568 -2.855 1.977 1.00 25.00 H new ATOM 0 HB2 SER A 5 9.704 0.093 1.184 1.00 25.00 H new ATOM 0 HB3 SER A 5 10.875 -1.137 0.751 1.00 25.00 H new ATOM 0 HG SER A 5 9.313 -0.781 -0.933 1.00 25.00 H new ATOM 70 N LEU A 6 9.943 -0.221 3.933 1.00 25.00 N ATOM 71 CA LEU A 6 10.665 0.293 5.094 1.00 25.00 C ATOM 72 C LEU A 6 10.201 -0.460 6.350 1.00 25.00 C ATOM 73 O LEU A 6 11.013 -0.840 7.198 1.00 25.00 O ATOM 74 CB LEU A 6 10.443 1.806 5.206 1.00 25.00 C ATOM 75 CG LEU A 6 11.682 2.620 5.623 1.00 25.00 C ATOM 76 CD1 LEU A 6 11.368 4.112 5.495 1.00 25.00 C ATOM 77 CD2 LEU A 6 12.136 2.303 7.045 1.00 25.00 C ATOM 0 H LEU A 6 9.212 0.400 3.586 1.00 25.00 H new ATOM 0 HA LEU A 6 11.737 0.128 4.985 1.00 25.00 H new ATOM 0 HB2 LEU A 6 10.090 2.178 4.244 1.00 25.00 H new ATOM 0 HB3 LEU A 6 9.648 1.988 5.929 1.00 25.00 H new ATOM 0 HG LEU A 6 12.501 2.345 4.959 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.241 4.694 5.789 1.00 25.00 H new ATOM 0 HD12 LEU A 6 11.110 4.342 4.461 1.00 25.00 H new ATOM 0 HD13 LEU A 6 10.529 4.364 6.143 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.012 2.903 7.289 1.00 25.00 H new ATOM 0 HD22 LEU A 6 11.332 2.534 7.744 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.389 1.245 7.119 1.00 25.00 H new ATOM 89 N TRP A 7 8.928 -0.826 6.366 1.00 25.00 N ATOM 90 CA TRP A 7 8.359 -1.616 7.447 1.00 25.00 C ATOM 91 C TRP A 7 9.114 -2.928 7.648 1.00 25.00 C ATOM 92 O TRP A 7 9.375 -3.342 8.770 1.00 25.00 O ATOM 93 CB TRP A 7 6.886 -1.892 7.164 1.00 25.00 C ATOM 94 CG TRP A 7 6.175 -2.478 8.321 1.00 25.00 C ATOM 95 CD1 TRP A 7 5.424 -1.827 9.231 1.00 25.00 C ATOM 96 CD2 TRP A 7 6.142 -3.859 8.709 1.00 25.00 C ATOM 97 NE1 TRP A 7 4.924 -2.677 10.173 1.00 25.00 N ATOM 98 CE2 TRP A 7 5.351 -3.947 9.890 1.00 25.00 C ATOM 99 CE3 TRP A 7 6.704 -5.033 8.181 1.00 25.00 C ATOM 100 CZ2 TRP A 7 5.124 -5.171 10.553 1.00 25.00 C ATOM 101 CZ3 TRP A 7 6.471 -6.261 8.832 1.00 25.00 C ATOM 102 CH2 TRP A 7 5.689 -6.317 10.014 1.00 25.00 C ATOM 0 H TRP A 7 8.262 -0.584 5.632 1.00 25.00 H new ATOM 0 HA TRP A 7 8.452 -1.041 8.368 1.00 25.00 H new ATOM 0 HB2 TRP A 7 6.396 -0.961 6.877 1.00 25.00 H new ATOM 0 HB3 TRP A 7 6.806 -2.570 6.314 1.00 25.00 H new ATOM 0 HD1 TRP A 7 5.241 -0.763 9.216 1.00 25.00 H new ATOM 0 HE1 TRP A 7 4.330 -2.411 10.958 1.00 25.00 H new ATOM 0 HE3 TRP A 7 7.308 -4.995 7.286 1.00 25.00 H new ATOM 0 HZ2 TRP A 7 4.528 -5.214 11.453 1.00 25.00 H new ATOM 0 HZ3 TRP A 7 6.892 -7.169 8.427 1.00 25.00 H new ATOM 0 HH2 TRP A 7 5.531 -7.267 10.502 1.00 25.00 H new ATOM 113 N LYS A 8 9.494 -3.596 6.567 1.00 25.00 N ATOM 114 CA LYS A 8 10.252 -4.848 6.697 1.00 25.00 C ATOM 115 C LYS A 8 11.686 -4.593 7.153 1.00 25.00 C ATOM 116 O LYS A 8 12.299 -5.453 7.783 1.00 25.00 O ATOM 117 CB LYS A 8 10.236 -5.636 5.391 1.00 25.00 C ATOM 118 CG LYS A 8 8.874 -6.265 5.087 1.00 25.00 C ATOM 119 CD LYS A 8 8.929 -7.044 3.777 1.00 25.00 C ATOM 120 CE LYS A 8 7.557 -7.600 3.404 1.00 25.00 C ATOM 121 NZ LYS A 8 7.611 -8.368 2.106 1.00 25.00 N ATOM 0 H LYS A 8 9.299 -3.307 5.608 1.00 25.00 H new ATOM 0 HA LYS A 8 9.761 -5.446 7.465 1.00 25.00 H new ATOM 0 HB2 LYS A 8 10.515 -4.975 4.571 1.00 25.00 H new ATOM 0 HB3 LYS A 8 10.990 -6.422 5.438 1.00 25.00 H new ATOM 0 HG2 LYS A 8 8.583 -6.929 5.901 1.00 25.00 H new ATOM 0 HG3 LYS A 8 8.113 -5.487 5.023 1.00 25.00 H new ATOM 0 HD2 LYS A 8 9.289 -6.394 2.980 1.00 25.00 H new ATOM 0 HD3 LYS A 8 9.643 -7.863 3.868 1.00 25.00 H new ATOM 0 HE2 LYS A 8 7.198 -8.252 4.200 1.00 25.00 H new ATOM 0 HE3 LYS A 8 6.842 -6.782 3.315 1.00 25.00 H new ATOM 0 HZ1 LYS A 8 6.664 -8.733 1.879 1.00 25.00 H new ATOM 0 HZ2 LYS A 8 7.931 -7.738 1.343 1.00 25.00 H new ATOM 0 HZ3 LYS A 8 8.275 -9.163 2.200 1.00 25.00 H new ATOM 135 N LYS A 9 12.215 -3.412 6.868 1.00 25.00 N ATOM 136 CA LYS A 9 13.552 -3.042 7.344 1.00 25.00 C ATOM 137 C LYS A 9 13.494 -2.853 8.861 1.00 25.00 C ATOM 138 O LYS A 9 14.323 -3.405 9.586 1.00 25.00 O ATOM 139 CB LYS A 9 14.025 -1.755 6.650 1.00 25.00 C ATOM 140 CG LYS A 9 15.441 -1.324 6.987 1.00 25.00 C ATOM 141 CD LYS A 9 15.704 0.062 6.401 1.00 25.00 C ATOM 142 CE LYS A 9 17.115 0.546 6.708 1.00 25.00 C ATOM 143 NZ LYS A 9 17.327 1.943 6.185 1.00 25.00 N ATOM 0 H LYS A 9 11.748 -2.694 6.314 1.00 25.00 H new ATOM 0 HA LYS A 9 14.266 -3.830 7.104 1.00 25.00 H new ATOM 0 HB2 LYS A 9 13.951 -1.894 5.571 1.00 25.00 H new ATOM 0 HB3 LYS A 9 13.343 -0.947 6.914 1.00 25.00 H new ATOM 0 HG2 LYS A 9 15.580 -1.306 8.068 1.00 25.00 H new ATOM 0 HG3 LYS A 9 16.156 -2.042 6.586 1.00 25.00 H new ATOM 0 HD2 LYS A 9 15.556 0.035 5.321 1.00 25.00 H new ATOM 0 HD3 LYS A 9 14.981 0.771 6.804 1.00 25.00 H new ATOM 0 HE2 LYS A 9 17.285 0.526 7.784 1.00 25.00 H new ATOM 0 HE3 LYS A 9 17.842 -0.130 6.258 1.00 25.00 H new ATOM 0 HZ1 LYS A 9 18.295 2.253 6.405 1.00 25.00 H new ATOM 0 HZ2 LYS A 9 17.186 1.953 5.155 1.00 25.00 H new ATOM 0 HZ3 LYS A 9 16.646 2.589 6.634 1.00 25.00 H new ATOM 157 N LEU A 10 12.501 -2.117 9.346 1.00 25.00 N ATOM 158 CA LEU A 10 12.345 -1.884 10.788 1.00 25.00 C ATOM 159 C LEU A 10 11.837 -3.128 11.520 1.00 25.00 C ATOM 160 O LEU A 10 12.039 -3.261 12.724 1.00 25.00 O ATOM 161 CB LEU A 10 11.475 -0.644 11.073 1.00 25.00 C ATOM 162 CG LEU A 10 9.971 -0.648 10.744 1.00 25.00 C ATOM 163 CD1 LEU A 10 9.118 -1.320 11.822 1.00 25.00 C ATOM 164 CD2 LEU A 10 9.497 0.782 10.562 1.00 25.00 C ATOM 0 H LEU A 10 11.790 -1.669 8.768 1.00 25.00 H new ATOM 0 HA LEU A 10 13.337 -1.674 11.188 1.00 25.00 H new ATOM 0 HB2 LEU A 10 11.570 -0.422 12.136 1.00 25.00 H new ATOM 0 HB3 LEU A 10 11.920 0.191 10.532 1.00 25.00 H new ATOM 0 HG LEU A 10 9.848 -1.228 9.829 1.00 25.00 H new ATOM 0 HD11 LEU A 10 8.069 -1.289 11.528 1.00 25.00 H new ATOM 0 HD12 LEU A 10 9.431 -2.357 11.939 1.00 25.00 H new ATOM 0 HD13 LEU A 10 9.246 -0.793 12.768 1.00 25.00 H new ATOM 0 HD21 LEU A 10 8.432 0.785 10.329 1.00 25.00 H new ATOM 0 HD22 LEU A 10 9.669 1.342 11.481 1.00 25.00 H new ATOM 0 HD23 LEU A 10 10.049 1.247 9.745 1.00 25.00 H new ATOM 176 N LYS A 11 11.223 -4.061 10.793 1.00 25.00 N ATOM 177 CA LYS A 11 10.761 -5.339 11.370 1.00 25.00 C ATOM 178 C LYS A 11 11.882 -6.049 12.114 1.00 25.00 C ATOM 179 O LYS A 11 11.632 -6.808 13.026 1.00 25.00 O ATOM 180 CB LYS A 11 10.187 -6.285 10.302 1.00 25.00 C ATOM 181 CG LYS A 11 9.460 -7.503 10.905 1.00 25.00 C ATOM 182 CD LYS A 11 9.166 -8.585 9.883 1.00 25.00 C ATOM 183 CE LYS A 11 8.658 -9.856 10.582 1.00 25.00 C ATOM 184 NZ LYS A 11 7.402 -9.621 11.387 1.00 25.00 N ATOM 0 H LYS A 11 11.030 -3.962 9.796 1.00 25.00 H new ATOM 0 HA LYS A 11 9.966 -5.085 12.071 1.00 25.00 H new ATOM 0 HB2 LYS A 11 9.493 -5.731 9.669 1.00 25.00 H new ATOM 0 HB3 LYS A 11 10.996 -6.633 9.660 1.00 25.00 H new ATOM 0 HG2 LYS A 11 10.069 -7.923 11.705 1.00 25.00 H new ATOM 0 HG3 LYS A 11 8.524 -7.174 11.356 1.00 25.00 H new ATOM 0 HD2 LYS A 11 8.420 -8.230 9.172 1.00 25.00 H new ATOM 0 HD3 LYS A 11 10.067 -8.811 9.313 1.00 25.00 H new ATOM 0 HE2 LYS A 11 8.465 -10.624 9.833 1.00 25.00 H new ATOM 0 HE3 LYS A 11 9.438 -10.240 11.239 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 7.077 -10.521 11.794 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 7.602 -8.947 12.153 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 6.661 -9.233 10.769 1.00 25.00 H new ATOM 198 N LYS A 12 13.124 -5.799 11.743 1.00 25.00 N ATOM 199 CA LYS A 12 14.255 -6.384 12.469 1.00 25.00 C ATOM 200 C LYS A 12 14.202 -6.091 13.976 1.00 25.00 C ATOM 201 O LYS A 12 14.576 -6.936 14.771 1.00 25.00 O ATOM 202 CB LYS A 12 15.574 -5.892 11.875 1.00 25.00 C ATOM 203 CG LYS A 12 15.796 -6.381 10.448 1.00 25.00 C ATOM 204 CD LYS A 12 17.109 -5.855 9.885 1.00 25.00 C ATOM 205 CE LYS A 12 17.306 -6.295 8.434 1.00 25.00 C ATOM 206 NZ LYS A 12 17.425 -7.793 8.310 1.00 25.00 N ATOM 0 H LYS A 12 13.382 -5.204 10.955 1.00 25.00 H new ATOM 0 HA LYS A 12 14.187 -7.466 12.354 1.00 25.00 H new ATOM 0 HB2 LYS A 12 15.589 -4.802 11.888 1.00 25.00 H new ATOM 0 HB3 LYS A 12 16.399 -6.230 12.503 1.00 25.00 H new ATOM 0 HG2 LYS A 12 15.800 -7.471 10.431 1.00 25.00 H new ATOM 0 HG3 LYS A 12 14.970 -6.055 9.816 1.00 25.00 H new ATOM 0 HD2 LYS A 12 17.122 -4.767 9.942 1.00 25.00 H new ATOM 0 HD3 LYS A 12 17.939 -6.216 10.493 1.00 25.00 H new ATOM 0 HE2 LYS A 12 16.466 -5.947 7.832 1.00 25.00 H new ATOM 0 HE3 LYS A 12 18.203 -5.825 8.031 1.00 25.00 H new ATOM 0 HZ1 LYS A 12 17.708 -8.040 7.340 1.00 25.00 H new ATOM 0 HZ2 LYS A 12 18.141 -8.141 8.979 1.00 25.00 H new ATOM 0 HZ3 LYS A 12 16.508 -8.233 8.525 1.00 25.00 H new ATOM 220 N ILE A 13 13.716 -4.918 14.355 1.00 25.00 N ATOM 221 CA ILE A 13 13.547 -4.562 15.768 1.00 25.00 C ATOM 222 C ILE A 13 12.334 -5.303 16.357 1.00 25.00 C ATOM 223 O ILE A 13 12.345 -5.731 17.500 1.00 25.00 O ATOM 224 CB ILE A 13 13.335 -3.017 15.924 1.00 25.00 C ATOM 225 CG1 ILE A 13 14.484 -2.230 15.245 1.00 25.00 C ATOM 226 CG2 ILE A 13 13.210 -2.622 17.414 1.00 25.00 C ATOM 227 CD1 ILE A 13 15.913 -2.508 15.794 1.00 25.00 C ATOM 0 H ILE A 13 13.428 -4.188 13.703 1.00 25.00 H new ATOM 0 HA ILE A 13 14.450 -4.854 16.305 1.00 25.00 H new ATOM 0 HB ILE A 13 12.402 -2.756 15.425 1.00 25.00 H new ATOM 0 HG12 ILE A 13 14.474 -2.458 14.179 1.00 25.00 H new ATOM 0 HG13 ILE A 13 14.278 -1.164 15.345 1.00 25.00 H new ATOM 0 HG21 ILE A 13 13.064 -1.545 17.494 1.00 25.00 H new ATOM 0 HG22 ILE A 13 12.358 -3.138 17.857 1.00 25.00 H new ATOM 0 HG23 ILE A 13 14.120 -2.905 17.943 1.00 25.00 H new ATOM 0 HD11 ILE A 13 16.637 -1.904 15.247 1.00 25.00 H new ATOM 0 HD12 ILE A 13 15.953 -2.251 16.852 1.00 25.00 H new ATOM 0 HD13 ILE A 13 16.152 -3.564 15.668 1.00 25.00 H new ATOM 239 N ILE A 14 11.294 -5.461 15.549 1.00 25.00 N ATOM 240 CA ILE A 14 10.060 -6.154 15.967 1.00 25.00 C ATOM 241 C ILE A 14 10.378 -7.631 16.243 1.00 25.00 C ATOM 242 O ILE A 14 9.770 -8.275 17.086 1.00 25.00 O ATOM 243 CB ILE A 14 8.955 -6.042 14.842 1.00 25.00 C ATOM 244 CG1 ILE A 14 8.634 -4.553 14.588 1.00 25.00 C ATOM 245 CG2 ILE A 14 7.659 -6.816 15.225 1.00 25.00 C ATOM 246 CD1 ILE A 14 7.560 -4.288 13.504 1.00 25.00 C ATOM 0 H ILE A 14 11.271 -5.118 14.589 1.00 25.00 H new ATOM 0 HA ILE A 14 9.677 -5.686 16.874 1.00 25.00 H new ATOM 0 HB ILE A 14 9.346 -6.497 13.932 1.00 25.00 H new ATOM 0 HG12 ILE A 14 8.302 -4.104 15.524 1.00 25.00 H new ATOM 0 HG13 ILE A 14 9.553 -4.043 14.299 1.00 25.00 H new ATOM 0 HG21 ILE A 14 6.925 -6.714 14.426 1.00 25.00 H new ATOM 0 HG22 ILE A 14 7.894 -7.870 15.369 1.00 25.00 H new ATOM 0 HG23 ILE A 14 7.250 -6.406 16.148 1.00 25.00 H new ATOM 0 HD11 ILE A 14 7.406 -3.214 13.400 1.00 25.00 H new ATOM 0 HD12 ILE A 14 7.894 -4.701 12.552 1.00 25.00 H new ATOM 0 HD13 ILE A 14 6.623 -4.762 13.796 1.00 25.00 H new ATOM 258 N ALA A 15 11.346 -8.148 15.505 1.00 25.00 N ATOM 259 CA ALA A 15 11.771 -9.541 15.603 1.00 25.00 C ATOM 260 C ALA A 15 12.691 -9.827 16.806 1.00 25.00 C ATOM 261 O ALA A 15 13.206 -10.943 16.936 1.00 25.00 O ATOM 262 CB ALA A 15 12.479 -9.941 14.299 1.00 25.00 C ATOM 0 H ALA A 15 11.867 -7.610 14.813 1.00 25.00 H new ATOM 0 HA ALA A 15 10.872 -10.137 15.761 1.00 25.00 H new ATOM 0 HB1 ALA A 15 12.800 -10.981 14.363 1.00 25.00 H new ATOM 0 HB2 ALA A 15 11.791 -9.825 13.461 1.00 25.00 H new ATOM 0 HB3 ALA A 15 13.348 -9.302 14.146 1.00 25.00 H new ATOM 268 N LYS A 16 12.942 -8.797 17.646 1.00 25.00 N ATOM 269 CA LYS A 16 13.825 -8.878 18.852 1.00 25.00 C ATOM 270 C LYS A 16 13.075 -9.052 20.181 1.00 25.00 C ATOM 271 O LYS A 16 13.513 -9.749 21.071 1.00 25.00 O ATOM 272 CB LYS A 16 14.814 -7.672 18.938 1.00 25.00 C ATOM 273 CG LYS A 16 16.081 -7.861 18.051 1.00 25.00 C ATOM 274 CD LYS A 16 17.096 -8.850 18.696 1.00 25.00 C ATOM 275 CE LYS A 16 18.311 -9.080 17.783 1.00 25.00 C ATOM 276 NZ LYS A 16 19.218 -10.086 18.446 1.00 25.00 N ATOM 0 H LYS A 16 12.536 -7.871 17.511 1.00 25.00 H new ATOM 0 HA LYS A 16 14.397 -9.794 18.705 1.00 25.00 H new ATOM 0 HB2 LYS A 16 14.296 -6.762 18.634 1.00 25.00 H new ATOM 0 HB3 LYS A 16 15.120 -7.533 19.975 1.00 25.00 H new ATOM 0 HG2 LYS A 16 15.786 -8.232 17.070 1.00 25.00 H new ATOM 0 HG3 LYS A 16 16.563 -6.896 17.895 1.00 25.00 H new ATOM 0 HD2 LYS A 16 17.430 -8.457 19.656 1.00 25.00 H new ATOM 0 HD3 LYS A 16 16.603 -9.802 18.895 1.00 25.00 H new ATOM 0 HE2 LYS A 16 17.989 -9.444 16.807 1.00 25.00 H new ATOM 0 HE3 LYS A 16 18.842 -8.143 17.614 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 20.048 -10.256 17.843 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 19.529 -9.718 19.368 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 18.703 -10.979 18.585 1.00 25.00 H new TER 290 LYS A 16 HETATM 291 N NH2 A 101 11.880 -8.302 20.328 1.00 25.00 N