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+ -113:sc= 0.00334 (180deg=0) USER MOD Single : A 4 SER OG : rot -68: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+ -172:sc=-0.00882 (180deg=-0.0757) USER MOD Single : A 12 LYS NZ :NH3+ 146:sc= 0.399 (180deg=-0.904) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.947 -1.232 -0.834 1.00 25.00 N ATOM 2 CA GLY A 1 2.493 0.156 -0.862 1.00 25.00 C ATOM 3 C GLY A 1 3.939 0.295 -0.417 1.00 25.00 C ATOM 4 O GLY A 1 4.531 -0.572 0.192 1.00 25.00 O ATOM 0 H1 GLY A 1 1.757 -1.550 -1.806 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.640 -1.869 -0.391 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.063 -1.246 -0.286 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.404 0.543 -1.877 1.00 25.00 H new ATOM 0 HA3 GLY A 1 1.872 0.786 -0.225 1.00 25.00 H new ATOM 10 N ILE A 2 4.521 1.472 -0.705 1.00 25.00 N ATOM 11 CA ILE A 2 5.925 1.784 -0.408 1.00 25.00 C ATOM 12 C ILE A 2 6.301 1.673 1.070 1.00 25.00 C ATOM 13 O ILE A 2 7.460 1.429 1.403 1.00 25.00 O ATOM 14 CB ILE A 2 6.293 3.213 -0.902 1.00 25.00 C ATOM 15 CG1 ILE A 2 5.428 4.302 -0.221 1.00 25.00 C ATOM 16 CG2 ILE A 2 6.129 3.302 -2.440 1.00 25.00 C ATOM 17 CD1 ILE A 2 6.183 5.110 0.850 1.00 25.00 C ATOM 0 H ILE A 2 4.023 2.240 -1.155 1.00 25.00 H new ATOM 0 HA ILE A 2 6.493 1.024 -0.944 1.00 25.00 H new ATOM 0 HB ILE A 2 7.333 3.395 -0.630 1.00 25.00 H new ATOM 0 HG12 ILE A 2 5.054 4.986 -0.983 1.00 25.00 H new ATOM 0 HG13 ILE A 2 4.559 3.830 0.238 1.00 25.00 H new ATOM 0 HG21 ILE A 2 6.389 4.306 -2.776 1.00 25.00 H new ATOM 0 HG22 ILE A 2 6.788 2.577 -2.919 1.00 25.00 H new ATOM 0 HG23 ILE A 2 5.095 3.086 -2.709 1.00 25.00 H new ATOM 0 HD11 ILE A 2 5.514 5.854 1.283 1.00 25.00 H new ATOM 0 HD12 ILE A 2 6.534 4.438 1.633 1.00 25.00 H new ATOM 0 HD13 ILE A 2 7.036 5.612 0.393 1.00 25.00 H new ATOM 29 N LEU A 3 5.312 1.788 1.943 1.00 25.00 N ATOM 30 CA LEU A 3 5.524 1.647 3.381 1.00 25.00 C ATOM 31 C LEU A 3 6.104 0.281 3.708 1.00 25.00 C ATOM 32 O LEU A 3 6.923 0.172 4.600 1.00 25.00 O ATOM 33 CB LEU A 3 4.201 1.830 4.146 1.00 25.00 C ATOM 34 CG LEU A 3 4.256 1.740 5.696 1.00 25.00 C ATOM 35 CD1 LEU A 3 5.235 2.765 6.288 1.00 25.00 C ATOM 36 CD2 LEU A 3 2.861 1.983 6.262 1.00 25.00 C ATOM 0 H LEU A 3 4.345 1.980 1.680 1.00 25.00 H new ATOM 0 HA LEU A 3 6.228 2.420 3.689 1.00 25.00 H new ATOM 0 HB2 LEU A 3 3.789 2.803 3.879 1.00 25.00 H new ATOM 0 HB3 LEU A 3 3.498 1.077 3.789 1.00 25.00 H new ATOM 0 HG LEU A 3 4.608 0.745 5.967 1.00 25.00 H new ATOM 0 HD11 LEU A 3 5.246 2.672 7.374 1.00 25.00 H new ATOM 0 HD12 LEU A 3 6.236 2.580 5.897 1.00 25.00 H new ATOM 0 HD13 LEU A 3 4.918 3.771 6.013 1.00 25.00 H new ATOM 0 HD21 LEU A 3 2.894 1.921 7.350 1.00 25.00 H new ATOM 0 HD22 LEU A 3 2.515 2.973 5.965 1.00 25.00 H new ATOM 0 HD23 LEU A 3 2.175 1.229 5.876 1.00 25.00 H new ATOM 48 N SER A 4 5.706 -0.756 2.983 1.00 25.00 N ATOM 49 CA SER A 4 6.144 -2.121 3.285 1.00 25.00 C ATOM 50 C SER A 4 7.664 -2.305 3.208 1.00 25.00 C ATOM 51 O SER A 4 8.242 -3.087 3.968 1.00 25.00 O ATOM 52 CB SER A 4 5.469 -3.108 2.327 1.00 25.00 C ATOM 53 OG SER A 4 5.862 -2.858 0.988 1.00 25.00 O ATOM 0 H SER A 4 5.081 -0.683 2.181 1.00 25.00 H new ATOM 0 HA SER A 4 5.849 -2.317 4.316 1.00 25.00 H new ATOM 0 HB2 SER A 4 5.733 -4.129 2.604 1.00 25.00 H new ATOM 0 HB3 SER A 4 4.386 -3.024 2.415 1.00 25.00 H new ATOM 0 HG SER A 4 5.488 -2.002 0.692 1.00 25.00 H new ATOM 59 N SER A 5 8.319 -1.567 2.322 1.00 25.00 N ATOM 60 CA SER A 5 9.770 -1.672 2.164 1.00 25.00 C ATOM 61 C SER A 5 10.494 -1.107 3.378 1.00 25.00 C ATOM 62 O SER A 5 11.517 -1.638 3.823 1.00 25.00 O ATOM 63 CB SER A 5 10.201 -0.920 0.912 1.00 25.00 C ATOM 64 OG SER A 5 9.488 -1.410 -0.209 1.00 25.00 O ATOM 0 H SER A 5 7.874 -0.890 1.702 1.00 25.00 H new ATOM 0 HA SER A 5 10.032 -2.726 2.070 1.00 25.00 H new ATOM 0 HB2 SER A 5 10.015 0.147 1.035 1.00 25.00 H new ATOM 0 HB3 SER A 5 11.273 -1.041 0.755 1.00 25.00 H new ATOM 0 HG SER A 5 9.767 -0.923 -1.012 1.00 25.00 H new ATOM 70 N LEU A 6 9.953 -0.030 3.927 1.00 25.00 N ATOM 71 CA LEU A 6 10.500 0.574 5.136 1.00 25.00 C ATOM 72 C LEU A 6 10.118 -0.299 6.326 1.00 25.00 C ATOM 73 O LEU A 6 10.919 -0.547 7.234 1.00 25.00 O ATOM 74 CB LEU A 6 9.918 1.984 5.303 1.00 25.00 C ATOM 75 CG LEU A 6 10.475 2.762 6.501 1.00 25.00 C ATOM 76 CD1 LEU A 6 10.936 4.151 6.077 1.00 25.00 C ATOM 77 CD2 LEU A 6 9.420 2.882 7.600 1.00 25.00 C ATOM 0 H LEU A 6 9.132 0.447 3.554 1.00 25.00 H new ATOM 0 HA LEU A 6 11.586 0.648 5.071 1.00 25.00 H new ATOM 0 HB2 LEU A 6 10.111 2.554 4.394 1.00 25.00 H new ATOM 0 HB3 LEU A 6 8.836 1.907 5.407 1.00 25.00 H new ATOM 0 HG LEU A 6 11.332 2.211 6.889 1.00 25.00 H new ATOM 0 HD11 LEU A 6 11.327 4.685 6.943 1.00 25.00 H new ATOM 0 HD12 LEU A 6 11.718 4.060 5.323 1.00 25.00 H new ATOM 0 HD13 LEU A 6 10.093 4.703 5.661 1.00 25.00 H new ATOM 0 HD21 LEU A 6 9.833 3.437 8.442 1.00 25.00 H new ATOM 0 HD22 LEU A 6 8.548 3.408 7.211 1.00 25.00 H new ATOM 0 HD23 LEU A 6 9.125 1.886 7.931 1.00 25.00 H new ATOM 89 N TRP A 7 8.890 -0.783 6.295 1.00 25.00 N ATOM 90 CA TRP A 7 8.334 -1.591 7.361 1.00 25.00 C ATOM 91 C TRP A 7 9.152 -2.847 7.629 1.00 25.00 C ATOM 92 O TRP A 7 9.495 -3.121 8.772 1.00 25.00 O ATOM 93 CB TRP A 7 6.894 -1.973 7.025 1.00 25.00 C ATOM 94 CG TRP A 7 6.153 -2.462 8.194 1.00 25.00 C ATOM 95 CD1 TRP A 7 5.346 -1.745 9.000 1.00 25.00 C ATOM 96 CD2 TRP A 7 6.151 -3.797 8.721 1.00 25.00 C ATOM 97 NE1 TRP A 7 4.833 -2.508 10.003 1.00 25.00 N ATOM 98 CE2 TRP A 7 5.322 -3.786 9.878 1.00 25.00 C ATOM 99 CE3 TRP A 7 6.768 -5.002 8.335 1.00 25.00 C ATOM 100 CZ2 TRP A 7 5.124 -4.933 10.672 1.00 25.00 C ATOM 101 CZ3 TRP A 7 6.566 -6.154 9.116 1.00 25.00 C ATOM 102 CH2 TRP A 7 5.756 -6.108 10.277 1.00 25.00 C ATOM 0 H TRP A 7 8.245 -0.624 5.521 1.00 25.00 H new ATOM 0 HA TRP A 7 8.359 -0.989 8.269 1.00 25.00 H new ATOM 0 HB2 TRP A 7 6.380 -1.106 6.610 1.00 25.00 H new ATOM 0 HB3 TRP A 7 6.897 -2.743 6.253 1.00 25.00 H new ATOM 0 HD1 TRP A 7 5.133 -0.695 8.867 1.00 25.00 H new ATOM 0 HE1 TRP A 7 4.192 -2.185 10.727 1.00 25.00 H new ATOM 0 HE3 TRP A 7 7.388 -5.041 7.451 1.00 25.00 H new ATOM 0 HZ2 TRP A 7 4.504 -4.901 11.556 1.00 25.00 H new ATOM 0 HZ3 TRP A 7 7.034 -7.084 8.827 1.00 25.00 H new ATOM 0 HH2 TRP A 7 5.626 -7.003 10.868 1.00 25.00 H new ATOM 113 N LYS A 8 9.493 -3.600 6.583 1.00 25.00 N ATOM 114 CA LYS A 8 10.281 -4.830 6.765 1.00 25.00 C ATOM 115 C LYS A 8 11.686 -4.536 7.266 1.00 25.00 C ATOM 116 O LYS A 8 12.266 -5.354 7.975 1.00 25.00 O ATOM 117 CB LYS A 8 10.323 -5.697 5.492 1.00 25.00 C ATOM 118 CG LYS A 8 9.034 -6.517 5.298 1.00 25.00 C ATOM 119 CD LYS A 8 9.288 -7.665 4.301 1.00 25.00 C ATOM 120 CE LYS A 8 8.072 -8.596 4.135 1.00 25.00 C ATOM 121 NZ LYS A 8 8.398 -9.747 3.345 1.00 25.00 N ATOM 0 H LYS A 8 9.244 -3.390 5.616 1.00 25.00 H new ATOM 0 HA LYS A 8 9.766 -5.407 7.533 1.00 25.00 H new ATOM 0 HB2 LYS A 8 10.477 -5.056 4.624 1.00 25.00 H new ATOM 0 HB3 LYS A 8 11.176 -6.373 5.544 1.00 25.00 H new ATOM 0 HG2 LYS A 8 8.702 -6.921 6.254 1.00 25.00 H new ATOM 0 HG3 LYS A 8 8.235 -5.873 4.929 1.00 25.00 H new ATOM 0 HD2 LYS A 8 9.552 -7.245 3.331 1.00 25.00 H new ATOM 0 HD3 LYS A 8 10.143 -8.250 4.639 1.00 25.00 H new ATOM 0 HE2 LYS A 8 7.719 -8.914 5.116 1.00 25.00 H new ATOM 0 HE3 LYS A 8 7.255 -8.049 3.664 1.00 25.00 H new ATOM 0 HZ1 LYS A 8 7.558 -10.353 3.252 1.00 25.00 H new ATOM 0 HZ2 LYS A 8 8.712 -9.443 2.401 1.00 25.00 H new ATOM 0 HZ3 LYS A 8 9.161 -10.281 3.808 1.00 25.00 H new ATOM 135 N LYS A 9 12.220 -3.350 6.992 1.00 25.00 N ATOM 136 CA LYS A 9 13.534 -2.999 7.552 1.00 25.00 C ATOM 137 C LYS A 9 13.408 -2.814 9.060 1.00 25.00 C ATOM 138 O LYS A 9 14.262 -3.291 9.815 1.00 25.00 O ATOM 139 CB LYS A 9 14.121 -1.727 6.928 1.00 25.00 C ATOM 140 CG LYS A 9 14.652 -1.915 5.516 1.00 25.00 C ATOM 141 CD LYS A 9 15.298 -0.630 5.004 1.00 25.00 C ATOM 142 CE LYS A 9 15.913 -0.814 3.618 1.00 25.00 C ATOM 143 NZ LYS A 9 14.866 -0.986 2.557 1.00 25.00 N ATOM 0 H LYS A 9 11.788 -2.634 6.408 1.00 25.00 H new ATOM 0 HA LYS A 9 14.216 -3.817 7.320 1.00 25.00 H new ATOM 0 HB2 LYS A 9 13.353 -0.954 6.916 1.00 25.00 H new ATOM 0 HB3 LYS A 9 14.929 -1.364 7.563 1.00 25.00 H new ATOM 0 HG2 LYS A 9 15.382 -2.725 5.502 1.00 25.00 H new ATOM 0 HG3 LYS A 9 13.838 -2.208 4.853 1.00 25.00 H new ATOM 0 HD2 LYS A 9 14.550 0.162 4.967 1.00 25.00 H new ATOM 0 HD3 LYS A 9 16.069 -0.308 5.703 1.00 25.00 H new ATOM 0 HE2 LYS A 9 16.533 0.050 3.379 1.00 25.00 H new ATOM 0 HE3 LYS A 9 16.569 -1.685 3.625 1.00 25.00 H new ATOM 0 HZ1 LYS A 9 15.326 -1.108 1.632 1.00 25.00 H new ATOM 0 HZ2 LYS A 9 14.290 -1.825 2.770 1.00 25.00 H new ATOM 0 HZ3 LYS A 9 14.256 -0.144 2.532 1.00 25.00 H new ATOM 157 N LEU A 10 12.345 -2.157 9.503 1.00 25.00 N ATOM 158 CA LEU A 10 12.125 -1.949 10.936 1.00 25.00 C ATOM 159 C LEU A 10 11.628 -3.228 11.623 1.00 25.00 C ATOM 160 O LEU A 10 11.828 -3.398 12.818 1.00 25.00 O ATOM 161 CB LEU A 10 11.197 -0.744 11.180 1.00 25.00 C ATOM 162 CG LEU A 10 9.681 -0.929 11.359 1.00 25.00 C ATOM 163 CD1 LEU A 10 9.314 -0.946 12.836 1.00 25.00 C ATOM 164 CD2 LEU A 10 8.947 0.221 10.669 1.00 25.00 C ATOM 0 H LEU A 10 11.624 -1.760 8.900 1.00 25.00 H new ATOM 0 HA LEU A 10 13.084 -1.710 11.396 1.00 25.00 H new ATOM 0 HB2 LEU A 10 11.563 -0.236 12.072 1.00 25.00 H new ATOM 0 HB3 LEU A 10 11.337 -0.060 10.343 1.00 25.00 H new ATOM 0 HG LEU A 10 9.389 -1.880 10.914 1.00 25.00 H new ATOM 0 HD11 LEU A 10 8.237 -1.078 12.942 1.00 25.00 H new ATOM 0 HD12 LEU A 10 9.831 -1.769 13.330 1.00 25.00 H new ATOM 0 HD13 LEU A 10 9.611 -0.003 13.296 1.00 25.00 H new ATOM 0 HD21 LEU A 10 7.872 0.093 10.794 1.00 25.00 H new ATOM 0 HD22 LEU A 10 9.254 1.168 11.114 1.00 25.00 H new ATOM 0 HD23 LEU A 10 9.191 0.223 9.607 1.00 25.00 H new ATOM 176 N LYS A 11 11.066 -4.166 10.867 1.00 25.00 N ATOM 177 CA LYS A 11 10.650 -5.477 11.405 1.00 25.00 C ATOM 178 C LYS A 11 11.802 -6.197 12.101 1.00 25.00 C ATOM 179 O LYS A 11 11.588 -6.991 13.001 1.00 25.00 O ATOM 180 CB LYS A 11 10.112 -6.389 10.292 1.00 25.00 C ATOM 181 CG LYS A 11 9.402 -7.659 10.807 1.00 25.00 C ATOM 182 CD LYS A 11 9.357 -8.741 9.734 1.00 25.00 C ATOM 183 CE LYS A 11 8.636 -10.002 10.234 1.00 25.00 C ATOM 184 NZ LYS A 11 9.337 -10.650 11.418 1.00 25.00 N ATOM 0 H LYS A 11 10.883 -4.050 9.870 1.00 25.00 H new ATOM 0 HA LYS A 11 9.863 -5.273 12.131 1.00 25.00 H new ATOM 0 HB2 LYS A 11 9.415 -5.820 9.676 1.00 25.00 H new ATOM 0 HB3 LYS A 11 10.940 -6.684 9.647 1.00 25.00 H new ATOM 0 HG2 LYS A 11 9.922 -8.038 11.687 1.00 25.00 H new ATOM 0 HG3 LYS A 11 8.388 -7.410 11.119 1.00 25.00 H new ATOM 0 HD2 LYS A 11 8.849 -8.357 8.850 1.00 25.00 H new ATOM 0 HD3 LYS A 11 10.372 -8.997 9.432 1.00 25.00 H new ATOM 0 HE2 LYS A 11 7.616 -9.743 10.518 1.00 25.00 H new ATOM 0 HE3 LYS A 11 8.567 -10.723 9.419 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 8.889 -11.565 11.628 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 10.340 -10.800 11.188 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 9.262 -10.029 12.249 1.00 25.00 H new ATOM 198 N LYS A 12 13.035 -5.908 11.709 1.00 25.00 N ATOM 199 CA LYS A 12 14.192 -6.521 12.371 1.00 25.00 C ATOM 200 C LYS A 12 14.254 -6.149 13.853 1.00 25.00 C ATOM 201 O LYS A 12 14.705 -6.934 14.661 1.00 25.00 O ATOM 202 CB LYS A 12 15.485 -6.096 11.683 1.00 25.00 C ATOM 203 CG LYS A 12 15.571 -6.543 10.217 1.00 25.00 C ATOM 204 CD LYS A 12 16.960 -6.278 9.607 1.00 25.00 C ATOM 205 CE LYS A 12 17.122 -4.858 9.034 1.00 25.00 C ATOM 206 NZ LYS A 12 17.186 -3.768 10.077 1.00 25.00 N ATOM 0 H LYS A 12 13.264 -5.266 10.951 1.00 25.00 H new ATOM 0 HA LYS A 12 14.077 -7.602 12.294 1.00 25.00 H new ATOM 0 HB2 LYS A 12 15.573 -5.011 11.730 1.00 25.00 H new ATOM 0 HB3 LYS A 12 16.332 -6.508 12.231 1.00 25.00 H new ATOM 0 HG2 LYS A 12 15.344 -7.607 10.150 1.00 25.00 H new ATOM 0 HG3 LYS A 12 14.814 -6.018 9.634 1.00 25.00 H new ATOM 0 HD2 LYS A 12 17.720 -6.441 10.371 1.00 25.00 H new ATOM 0 HD3 LYS A 12 17.144 -7.003 8.815 1.00 25.00 H new ATOM 0 HE2 LYS A 12 18.031 -4.823 8.433 1.00 25.00 H new ATOM 0 HE3 LYS A 12 16.288 -4.653 8.362 1.00 25.00 H new ATOM 0 HZ1 LYS A 12 17.824 -3.014 9.752 1.00 25.00 H new ATOM 0 HZ2 LYS A 12 16.235 -3.376 10.228 1.00 25.00 H new ATOM 0 HZ3 LYS A 12 17.543 -4.163 10.970 1.00 25.00 H new ATOM 220 N ILE A 13 13.790 -4.952 14.184 1.00 25.00 N ATOM 221 CA ILE A 13 13.744 -4.487 15.569 1.00 25.00 C ATOM 222 C ILE A 13 12.577 -5.179 16.278 1.00 25.00 C ATOM 223 O ILE A 13 12.678 -5.553 17.432 1.00 25.00 O ATOM 224 CB ILE A 13 13.547 -2.935 15.635 1.00 25.00 C ATOM 225 CG1 ILE A 13 14.633 -2.217 14.797 1.00 25.00 C ATOM 226 CG2 ILE A 13 13.601 -2.435 17.107 1.00 25.00 C ATOM 227 CD1 ILE A 13 14.359 -0.709 14.544 1.00 25.00 C ATOM 0 H ILE A 13 13.436 -4.277 13.506 1.00 25.00 H new ATOM 0 HA ILE A 13 14.688 -4.731 16.056 1.00 25.00 H new ATOM 0 HB ILE A 13 12.566 -2.701 15.222 1.00 25.00 H new ATOM 0 HG12 ILE A 13 15.592 -2.319 15.305 1.00 25.00 H new ATOM 0 HG13 ILE A 13 14.726 -2.723 13.836 1.00 25.00 H new ATOM 0 HG21 ILE A 13 13.462 -1.354 17.129 1.00 25.00 H new ATOM 0 HG22 ILE A 13 12.810 -2.915 17.683 1.00 25.00 H new ATOM 0 HG23 ILE A 13 14.569 -2.685 17.541 1.00 25.00 H new ATOM 0 HD11 ILE A 13 15.169 -0.287 13.950 1.00 25.00 H new ATOM 0 HD12 ILE A 13 13.418 -0.595 14.006 1.00 25.00 H new ATOM 0 HD13 ILE A 13 14.297 -0.185 15.498 1.00 25.00 H new ATOM 239 N ILE A 14 11.474 -5.358 15.559 1.00 25.00 N ATOM 240 CA ILE A 14 10.267 -6.003 16.105 1.00 25.00 C ATOM 241 C ILE A 14 10.583 -7.464 16.451 1.00 25.00 C ATOM 242 O ILE A 14 10.084 -8.018 17.419 1.00 25.00 O ATOM 243 CB ILE A 14 9.080 -5.952 15.058 1.00 25.00 C ATOM 244 CG1 ILE A 14 8.757 -4.489 14.696 1.00 25.00 C ATOM 245 CG2 ILE A 14 7.805 -6.657 15.601 1.00 25.00 C ATOM 246 CD1 ILE A 14 7.636 -4.319 13.633 1.00 25.00 C ATOM 0 H ILE A 14 11.383 -5.065 14.586 1.00 25.00 H new ATOM 0 HA ILE A 14 9.960 -5.466 17.003 1.00 25.00 H new ATOM 0 HB ILE A 14 9.403 -6.486 14.164 1.00 25.00 H new ATOM 0 HG12 ILE A 14 8.463 -3.960 15.603 1.00 25.00 H new ATOM 0 HG13 ILE A 14 9.665 -4.010 14.328 1.00 25.00 H new ATOM 0 HG21 ILE A 14 7.013 -6.601 14.855 1.00 25.00 H new ATOM 0 HG22 ILE A 14 8.030 -7.702 15.814 1.00 25.00 H new ATOM 0 HG23 ILE A 14 7.477 -6.163 16.515 1.00 25.00 H new ATOM 0 HD11 ILE A 14 7.475 -3.258 13.440 1.00 25.00 H new ATOM 0 HD12 ILE A 14 7.933 -4.815 12.709 1.00 25.00 H new ATOM 0 HD13 ILE A 14 6.713 -4.764 14.004 1.00 25.00 H new ATOM 258 N ALA A 15 11.432 -8.069 15.639 1.00 25.00 N ATOM 259 CA ALA A 15 11.841 -9.456 15.807 1.00 25.00 C ATOM 260 C ALA A 15 12.907 -9.656 16.901 1.00 25.00 C ATOM 261 O ALA A 15 13.439 -10.760 17.046 1.00 25.00 O ATOM 262 CB ALA A 15 12.356 -9.994 14.465 1.00 25.00 C ATOM 0 H ALA A 15 11.862 -7.609 14.837 1.00 25.00 H new ATOM 0 HA ALA A 15 10.963 -10.012 16.136 1.00 25.00 H new ATOM 0 HB1 ALA A 15 12.664 -11.033 14.584 1.00 25.00 H new ATOM 0 HB2 ALA A 15 11.562 -9.934 13.720 1.00 25.00 H new ATOM 0 HB3 ALA A 15 13.208 -9.398 14.137 1.00 25.00 H new ATOM 268 N LYS A 16 13.275 -8.559 17.601 1.00 25.00 N ATOM 269 CA LYS A 16 14.321 -8.530 18.666 1.00 25.00 C ATOM 270 C LYS A 16 13.846 -8.086 20.066 1.00 25.00 C ATOM 271 O LYS A 16 14.553 -8.227 21.044 1.00 25.00 O ATOM 272 CB LYS A 16 15.539 -7.674 18.212 1.00 25.00 C ATOM 273 CG LYS A 16 16.604 -8.545 17.488 1.00 25.00 C ATOM 274 CD LYS A 16 17.977 -7.833 17.443 1.00 25.00 C ATOM 275 CE LYS A 16 19.102 -8.836 17.092 1.00 25.00 C ATOM 276 NZ LYS A 16 20.433 -8.183 17.385 1.00 25.00 N ATOM 0 H LYS A 16 12.848 -7.646 17.443 1.00 25.00 H new ATOM 0 HA LYS A 16 14.609 -9.574 18.791 1.00 25.00 H new ATOM 0 HB2 LYS A 16 15.200 -6.881 17.545 1.00 25.00 H new ATOM 0 HB3 LYS A 16 15.990 -7.191 19.079 1.00 25.00 H new ATOM 0 HG2 LYS A 16 16.705 -9.501 18.001 1.00 25.00 H new ATOM 0 HG3 LYS A 16 16.271 -8.761 16.473 1.00 25.00 H new ATOM 0 HD2 LYS A 16 17.953 -7.032 16.704 1.00 25.00 H new ATOM 0 HD3 LYS A 16 18.184 -7.370 18.408 1.00 25.00 H new ATOM 0 HE2 LYS A 16 18.991 -9.750 17.676 1.00 25.00 H new ATOM 0 HE3 LYS A 16 19.042 -9.120 16.041 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 21.202 -8.844 17.155 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 20.532 -7.323 16.809 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 20.482 -7.932 18.393 1.00 25.00 H new TER 290 LYS A 16 HETATM 291 N NH2 A 101 12.559 -7.498 20.152 1.00 25.00 N