USER MOD reduce.3.24.130724 H: found=0, std=0, add=198, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 200 hydrogens (0 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -160:sc= -0.0592 (180deg=-0.364) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0743 USER MOD Single : A 22 THR OG1 : rot 85:sc= 0.546 USER MOD ----------------------------------------------------------------- ATOM 8 N ILE A 2 4.344 -0.221 -0.449 1.00 44.33 N ATOM 9 CA ILE A 2 5.723 0.199 -0.232 1.00 22.25 C ATOM 10 C ILE A 2 6.434 0.460 -1.555 1.00 52.22 C ATOM 11 O ILE A 2 7.390 1.232 -1.617 1.00 14.32 O ATOM 12 CB ILE A 2 6.514 -0.857 0.563 1.00 21.11 C ATOM 13 CG1 ILE A 2 5.759 -1.239 1.838 1.00 1.30 C ATOM 14 CG2 ILE A 2 7.903 -0.336 0.900 1.00 43.14 C ATOM 15 CD1 ILE A 2 5.320 -2.686 1.870 1.00 53.22 C ATOM 0 HA ILE A 2 5.684 1.123 0.345 1.00 22.25 H new ATOM 0 HB ILE A 2 6.622 -1.749 -0.054 1.00 21.11 H new ATOM 0 HG12 ILE A 2 6.396 -1.042 2.700 1.00 1.30 H new ATOM 0 HG13 ILE A 2 4.882 -0.599 1.937 1.00 1.30 H new ATOM 0 HG21 ILE A 2 8.449 -1.094 1.462 1.00 43.14 H new ATOM 0 HG22 ILE A 2 8.440 -0.110 -0.021 1.00 43.14 H new ATOM 0 HG23 ILE A 2 7.816 0.569 1.501 1.00 43.14 H new ATOM 0 HD11 ILE A 2 4.791 -2.885 2.802 1.00 53.22 H new ATOM 0 HD12 ILE A 2 4.657 -2.884 1.028 1.00 53.22 H new ATOM 0 HD13 ILE A 2 6.195 -3.333 1.803 1.00 53.22 H new ATOM 27 N GLY A 3 5.958 -0.188 -2.614 1.00 64.32 N ATOM 28 CA GLY A 3 6.559 -0.012 -3.923 1.00 51.55 C ATOM 29 C GLY A 3 6.576 1.439 -4.362 1.00 42.33 C ATOM 30 O GLY A 3 7.319 1.813 -5.271 1.00 31.44 O ATOM 0 H GLY A 3 5.167 -0.832 -2.589 1.00 64.32 H new ATOM 0 HA2 GLY A 3 7.579 -0.395 -3.906 1.00 51.55 H new ATOM 0 HA3 GLY A 3 6.009 -0.604 -4.655 1.00 51.55 H new ATOM 34 N LYS A 4 5.755 2.261 -3.717 1.00 74.44 N ATOM 35 CA LYS A 4 5.677 3.679 -4.046 1.00 0.24 C ATOM 36 C LYS A 4 6.811 4.454 -3.382 1.00 63.13 C ATOM 37 O LYS A 4 7.347 5.401 -3.957 1.00 3.03 O ATOM 38 CB LYS A 4 4.328 4.252 -3.605 1.00 41.45 C ATOM 39 CG LYS A 4 4.219 4.468 -2.106 1.00 11.01 C ATOM 40 CD LYS A 4 2.777 4.384 -1.634 1.00 30.20 C ATOM 41 CE LYS A 4 2.681 4.467 -0.118 1.00 71.33 C ATOM 42 NZ LYS A 4 1.323 4.102 0.372 1.00 30.22 N ATOM 0 H LYS A 4 5.134 1.969 -2.963 1.00 74.44 H new ATOM 0 HA LYS A 4 5.773 3.782 -5.127 1.00 0.24 H new ATOM 0 HB2 LYS A 4 4.163 5.202 -4.113 1.00 41.45 H new ATOM 0 HB3 LYS A 4 3.534 3.577 -3.925 1.00 41.45 H new ATOM 0 HG2 LYS A 4 4.817 3.720 -1.585 1.00 11.01 H new ATOM 0 HG3 LYS A 4 4.631 5.443 -1.847 1.00 11.01 H new ATOM 0 HD2 LYS A 4 2.199 5.193 -2.081 1.00 30.20 H new ATOM 0 HD3 LYS A 4 2.335 3.449 -1.977 1.00 30.20 H new ATOM 0 HE2 LYS A 4 3.420 3.802 0.330 1.00 71.33 H new ATOM 0 HE3 LYS A 4 2.925 5.479 0.207 1.00 71.33 H new ATOM 0 HZ1 LYS A 4 1.298 4.171 1.409 1.00 30.22 H new ATOM 0 HZ2 LYS A 4 0.621 4.752 -0.035 1.00 30.22 H new ATOM 0 HZ3 LYS A 4 1.100 3.128 0.084 1.00 30.22 H new ATOM 56 N ALA A 5 7.173 4.044 -2.171 1.00 34.11 N ATOM 57 CA ALA A 5 8.246 4.697 -1.432 1.00 15.53 C ATOM 58 C ALA A 5 9.612 4.205 -1.897 1.00 13.21 C ATOM 59 O ALA A 5 10.555 4.987 -2.024 1.00 12.42 O ATOM 60 CB ALA A 5 8.078 4.461 0.062 1.00 74.21 C ATOM 0 H ALA A 5 6.739 3.262 -1.681 1.00 34.11 H new ATOM 0 HA ALA A 5 8.189 5.768 -1.628 1.00 15.53 H new ATOM 0 HB1 ALA A 5 8.886 4.954 0.601 1.00 74.21 H new ATOM 0 HB2 ALA A 5 7.122 4.869 0.389 1.00 74.21 H new ATOM 0 HB3 ALA A 5 8.106 3.391 0.267 1.00 74.21 H new ATOM 66 N LEU A 6 9.712 2.905 -2.149 1.00 63.13 N ATOM 67 CA LEU A 6 10.965 2.308 -2.600 1.00 75.33 C ATOM 68 C LEU A 6 11.344 2.820 -3.986 1.00 22.10 C ATOM 69 O LEU A 6 12.522 3.019 -4.285 1.00 72.55 O ATOM 70 CB LEU A 6 10.846 0.783 -2.623 1.00 22.35 C ATOM 71 CG LEU A 6 12.146 0.006 -2.414 1.00 64.51 C ATOM 72 CD1 LEU A 6 13.123 0.285 -3.546 1.00 52.11 C ATOM 73 CD2 LEU A 6 12.769 0.358 -1.071 1.00 41.01 C ATOM 0 H LEU A 6 8.942 2.244 -2.049 1.00 63.13 H new ATOM 0 HA LEU A 6 11.749 2.595 -1.899 1.00 75.33 H new ATOM 0 HB2 LEU A 6 10.138 0.482 -1.851 1.00 22.35 H new ATOM 0 HB3 LEU A 6 10.419 0.486 -3.581 1.00 22.35 H new ATOM 0 HG LEU A 6 11.914 -1.059 -2.416 1.00 64.51 H new ATOM 0 HD11 LEU A 6 14.042 -0.277 -3.380 1.00 52.11 H new ATOM 0 HD12 LEU A 6 12.678 -0.019 -4.494 1.00 52.11 H new ATOM 0 HD13 LEU A 6 13.350 1.351 -3.577 1.00 52.11 H new ATOM 0 HD21 LEU A 6 13.693 -0.205 -0.940 1.00 41.01 H new ATOM 0 HD22 LEU A 6 12.987 1.426 -1.039 1.00 41.01 H new ATOM 0 HD23 LEU A 6 12.074 0.106 -0.270 1.00 41.01 H new ATOM 85 N LYS A 7 10.339 3.034 -4.828 1.00 12.12 N ATOM 86 CA LYS A 7 10.565 3.527 -6.181 1.00 62.02 C ATOM 87 C LYS A 7 11.120 4.948 -6.157 1.00 63.42 C ATOM 88 O LYS A 7 12.008 5.292 -6.938 1.00 31.21 O ATOM 89 CB LYS A 7 9.263 3.490 -6.984 1.00 12.40 C ATOM 90 CG LYS A 7 9.037 2.180 -7.718 1.00 64.11 C ATOM 91 CD LYS A 7 7.670 2.140 -8.380 1.00 63.41 C ATOM 92 CE LYS A 7 7.022 0.771 -8.237 1.00 50.21 C ATOM 93 NZ LYS A 7 6.273 0.381 -9.464 1.00 12.43 N ATOM 0 H LYS A 7 9.359 2.873 -4.597 1.00 12.12 H new ATOM 0 HA LYS A 7 11.298 2.878 -6.659 1.00 62.02 H new ATOM 0 HB2 LYS A 7 8.425 3.668 -6.310 1.00 12.40 H new ATOM 0 HB3 LYS A 7 9.269 4.305 -7.707 1.00 12.40 H new ATOM 0 HG2 LYS A 7 9.812 2.047 -8.473 1.00 64.11 H new ATOM 0 HG3 LYS A 7 9.128 1.349 -7.018 1.00 64.11 H new ATOM 0 HD2 LYS A 7 7.026 2.897 -7.933 1.00 63.41 H new ATOM 0 HD3 LYS A 7 7.769 2.389 -9.437 1.00 63.41 H new ATOM 0 HE2 LYS A 7 7.790 0.026 -8.028 1.00 50.21 H new ATOM 0 HE3 LYS A 7 6.343 0.778 -7.384 1.00 50.21 H new ATOM 0 HZ1 LYS A 7 5.846 -0.557 -9.327 1.00 12.43 H new ATOM 0 HZ2 LYS A 7 5.524 1.078 -9.650 1.00 12.43 H new ATOM 0 HZ3 LYS A 7 6.925 0.350 -10.274 1.00 12.43 H new ATOM 107 N LYS A 8 10.593 5.769 -5.256 1.00 31.35 N ATOM 108 CA LYS A 8 11.037 7.152 -5.127 1.00 71.41 C ATOM 109 C LYS A 8 12.332 7.235 -4.326 1.00 23.01 C ATOM 110 O LYS A 8 13.129 8.155 -4.510 1.00 34.02 O ATOM 111 CB LYS A 8 9.953 7.996 -4.454 1.00 1.43 C ATOM 112 CG LYS A 8 9.560 7.495 -3.075 1.00 5.34 C ATOM 113 CD LYS A 8 8.452 8.340 -2.469 1.00 60.01 C ATOM 114 CE LYS A 8 8.492 8.305 -0.949 1.00 50.30 C ATOM 115 NZ LYS A 8 8.420 9.672 -0.361 1.00 35.50 N ATOM 0 H LYS A 8 9.857 5.501 -4.603 1.00 31.35 H new ATOM 0 HA LYS A 8 11.224 7.543 -6.127 1.00 71.41 H new ATOM 0 HB2 LYS A 8 10.304 9.024 -4.371 1.00 1.43 H new ATOM 0 HB3 LYS A 8 9.069 8.012 -5.091 1.00 1.43 H new ATOM 0 HG2 LYS A 8 9.232 6.458 -3.144 1.00 5.34 H new ATOM 0 HG3 LYS A 8 10.431 7.511 -2.419 1.00 5.34 H new ATOM 0 HD2 LYS A 8 8.549 9.370 -2.813 1.00 60.01 H new ATOM 0 HD3 LYS A 8 7.485 7.977 -2.817 1.00 60.01 H new ATOM 0 HE2 LYS A 8 7.661 7.705 -0.577 1.00 50.30 H new ATOM 0 HE3 LYS A 8 9.409 7.816 -0.621 1.00 50.30 H new ATOM 0 HZ1 LYS A 8 8.450 9.606 0.676 1.00 35.50 H new ATOM 0 HZ2 LYS A 8 9.227 10.237 -0.695 1.00 35.50 H new ATOM 0 HZ3 LYS A 8 7.533 10.129 -0.653 1.00 35.50 H new ATOM 129 N ALA A 9 12.537 6.268 -3.438 1.00 32.51 N ATOM 130 CA ALA A 9 13.737 6.230 -2.612 1.00 1.22 C ATOM 131 C ALA A 9 14.993 6.146 -3.472 1.00 43.11 C ATOM 132 O ALA A 9 16.092 6.470 -3.019 1.00 74.43 O ATOM 133 CB ALA A 9 13.677 5.056 -1.646 1.00 52.00 C ATOM 0 H ALA A 9 11.887 5.500 -3.272 1.00 32.51 H new ATOM 0 HA ALA A 9 13.782 7.156 -2.038 1.00 1.22 H new ATOM 0 HB1 ALA A 9 14.580 5.040 -1.036 1.00 52.00 H new ATOM 0 HB2 ALA A 9 12.805 5.160 -1.001 1.00 52.00 H new ATOM 0 HB3 ALA A 9 13.603 4.125 -2.209 1.00 52.00 H new ATOM 139 N LYS A 10 14.825 5.709 -4.715 1.00 60.25 N ATOM 140 CA LYS A 10 15.945 5.582 -5.641 1.00 12.14 C ATOM 141 C LYS A 10 16.742 6.881 -5.711 1.00 72.23 C ATOM 142 O LYS A 10 17.960 6.865 -5.890 1.00 11.12 O ATOM 143 CB LYS A 10 15.441 5.204 -7.035 1.00 54.22 C ATOM 144 CG LYS A 10 14.786 6.356 -7.778 1.00 61.02 C ATOM 145 CD LYS A 10 13.986 5.866 -8.973 1.00 62.35 C ATOM 146 CE LYS A 10 14.888 5.556 -10.158 1.00 60.24 C ATOM 147 NZ LYS A 10 15.513 6.787 -10.717 1.00 32.22 N ATOM 0 H LYS A 10 13.923 5.436 -5.105 1.00 60.25 H new ATOM 0 HA LYS A 10 16.601 4.793 -5.273 1.00 12.14 H new ATOM 0 HB2 LYS A 10 16.277 4.830 -7.626 1.00 54.22 H new ATOM 0 HB3 LYS A 10 14.725 4.387 -6.944 1.00 54.22 H new ATOM 0 HG2 LYS A 10 14.131 6.902 -7.099 1.00 61.02 H new ATOM 0 HG3 LYS A 10 15.551 7.056 -8.114 1.00 61.02 H new ATOM 0 HD2 LYS A 10 13.427 4.972 -8.696 1.00 62.35 H new ATOM 0 HD3 LYS A 10 13.256 6.623 -9.258 1.00 62.35 H new ATOM 0 HE2 LYS A 10 15.669 4.861 -9.848 1.00 60.24 H new ATOM 0 HE3 LYS A 10 14.308 5.058 -10.935 1.00 60.24 H new ATOM 0 HZ1 LYS A 10 15.832 6.603 -11.690 1.00 32.22 H new ATOM 0 HZ2 LYS A 10 14.816 7.559 -10.721 1.00 32.22 H new ATOM 0 HZ3 LYS A 10 16.328 7.059 -10.131 1.00 32.22 H new ATOM 161 N LYS A 11 16.047 8.004 -5.569 1.00 0.41 N ATOM 162 CA LYS A 11 16.689 9.313 -5.614 1.00 24.43 C ATOM 163 C LYS A 11 17.435 9.597 -4.314 1.00 45.20 C ATOM 164 O LYS A 11 18.471 10.261 -4.314 1.00 41.21 O ATOM 165 CB LYS A 11 15.649 10.406 -5.867 1.00 1.12 C ATOM 166 CG LYS A 11 14.757 10.686 -4.670 1.00 31.32 C ATOM 167 CD LYS A 11 15.296 11.830 -3.828 1.00 20.34 C ATOM 168 CE LYS A 11 15.042 11.599 -2.346 1.00 14.11 C ATOM 169 NZ LYS A 11 16.030 12.318 -1.495 1.00 12.11 N ATOM 0 H LYS A 11 15.038 8.034 -5.422 1.00 0.41 H new ATOM 0 HA LYS A 11 17.409 9.309 -6.433 1.00 24.43 H new ATOM 0 HB2 LYS A 11 16.162 11.325 -6.150 1.00 1.12 H new ATOM 0 HB3 LYS A 11 15.027 10.115 -6.713 1.00 1.12 H new ATOM 0 HG2 LYS A 11 13.751 10.928 -5.013 1.00 31.32 H new ATOM 0 HG3 LYS A 11 14.677 9.788 -4.057 1.00 31.32 H new ATOM 0 HD2 LYS A 11 16.367 11.938 -4.002 1.00 20.34 H new ATOM 0 HD3 LYS A 11 14.826 12.764 -4.138 1.00 20.34 H new ATOM 0 HE2 LYS A 11 14.035 11.932 -2.094 1.00 14.11 H new ATOM 0 HE3 LYS A 11 15.087 10.531 -2.132 1.00 14.11 H new ATOM 0 HZ1 LYS A 11 15.823 12.135 -0.492 1.00 12.11 H new ATOM 0 HZ2 LYS A 11 16.989 11.982 -1.717 1.00 12.11 H new ATOM 0 HZ3 LYS A 11 15.969 13.340 -1.680 1.00 12.11 H new ATOM 190 N ILE A 13 18.924 7.433 -2.577 1.00 20.34 N ATOM 191 CA ILE A 13 19.876 6.348 -2.374 1.00 4.14 C ATOM 192 C ILE A 13 21.134 6.846 -1.670 1.00 24.40 C ATOM 193 O ILE A 13 21.657 6.188 -0.772 1.00 24.44 O ATOM 194 CB ILE A 13 20.274 5.691 -3.708 1.00 62.04 C ATOM 195 CG1 ILE A 13 21.343 4.621 -3.477 1.00 4.33 C ATOM 196 CG2 ILE A 13 20.773 6.742 -4.689 1.00 14.44 C ATOM 197 CD1 ILE A 13 22.753 5.115 -3.714 1.00 63.15 C ATOM 0 HA ILE A 13 19.381 5.606 -1.747 1.00 4.14 H new ATOM 0 HB ILE A 13 19.393 5.212 -4.136 1.00 62.04 H new ATOM 0 HG12 ILE A 13 21.263 4.253 -2.454 1.00 4.33 H new ATOM 0 HG13 ILE A 13 21.147 3.775 -4.136 1.00 4.33 H new ATOM 0 HG21 ILE A 13 21.050 6.261 -5.627 1.00 14.44 H new ATOM 0 HG22 ILE A 13 19.984 7.471 -4.874 1.00 14.44 H new ATOM 0 HG23 ILE A 13 21.643 7.248 -4.269 1.00 14.44 H new ATOM 0 HD11 ILE A 13 23.458 4.304 -3.532 1.00 63.15 H new ATOM 0 HD12 ILE A 13 22.851 5.456 -4.745 1.00 63.15 H new ATOM 0 HD13 ILE A 13 22.968 5.942 -3.037 1.00 63.15 H new ATOM 209 N GLY A 14 21.615 8.014 -2.084 1.00 51.32 N ATOM 210 CA GLY A 14 22.807 8.582 -1.482 1.00 21.31 C ATOM 211 C GLY A 14 22.684 8.727 0.022 1.00 70.31 C ATOM 212 O GLY A 14 23.688 8.822 0.727 1.00 11.02 O ATOM 0 H GLY A 14 21.200 8.577 -2.826 1.00 51.32 H new ATOM 0 HA2 GLY A 14 23.664 7.950 -1.714 1.00 21.31 H new ATOM 0 HA3 GLY A 14 23.003 9.559 -1.923 1.00 21.31 H new ATOM 216 N ALA A 15 21.450 8.745 0.514 1.00 55.20 N ATOM 217 CA ALA A 15 21.199 8.879 1.944 1.00 50.54 C ATOM 218 C ALA A 15 21.326 7.535 2.652 1.00 43.10 C ATOM 219 O ALA A 15 21.526 7.478 3.865 1.00 31.34 O ATOM 220 CB ALA A 15 19.820 9.476 2.184 1.00 42.40 C ATOM 0 H ALA A 15 20.608 8.668 -0.057 1.00 55.20 H new ATOM 0 HA ALA A 15 21.951 9.551 2.358 1.00 50.54 H new ATOM 0 HB1 ALA A 15 19.646 9.570 3.256 1.00 42.40 H new ATOM 0 HB2 ALA A 15 19.764 10.460 1.719 1.00 42.40 H new ATOM 0 HB3 ALA A 15 19.061 8.825 1.749 1.00 42.40 H new ATOM 226 N VAL A 16 21.209 6.455 1.887 1.00 70.44 N ATOM 227 CA VAL A 16 21.311 5.110 2.441 1.00 4.11 C ATOM 228 C VAL A 16 22.730 4.819 2.918 1.00 32.10 C ATOM 229 O VAL A 16 22.972 3.834 3.618 1.00 53.43 O ATOM 230 CB VAL A 16 20.900 4.044 1.408 1.00 12.13 C ATOM 231 CG1 VAL A 16 20.822 2.672 2.059 1.00 22.43 C ATOM 232 CG2 VAL A 16 19.573 4.413 0.763 1.00 72.14 C ATOM 0 H VAL A 16 21.043 6.485 0.881 1.00 70.44 H new ATOM 0 HA VAL A 16 20.628 5.065 3.289 1.00 4.11 H new ATOM 0 HB VAL A 16 21.660 4.006 0.628 1.00 12.13 H new ATOM 0 HG11 VAL A 16 20.530 1.932 1.314 1.00 22.43 H new ATOM 0 HG12 VAL A 16 21.796 2.408 2.470 1.00 22.43 H new ATOM 0 HG13 VAL A 16 20.083 2.691 2.860 1.00 22.43 H new ATOM 0 HG21 VAL A 16 19.297 3.649 0.036 1.00 72.14 H new ATOM 0 HG22 VAL A 16 18.801 4.479 1.530 1.00 72.14 H new ATOM 0 HG23 VAL A 16 19.668 5.375 0.260 1.00 72.14 H new ATOM 242 N LEU A 17 23.665 5.681 2.536 1.00 42.32 N ATOM 243 CA LEU A 17 25.062 5.518 2.925 1.00 74.32 C ATOM 244 C LEU A 17 25.528 6.688 3.786 1.00 73.44 C ATOM 245 O LEU A 17 26.466 6.559 4.573 1.00 73.43 O ATOM 246 CB LEU A 17 25.947 5.399 1.683 1.00 31.20 C ATOM 247 CG LEU A 17 27.437 5.175 1.940 1.00 25.13 C ATOM 248 CD1 LEU A 17 27.670 3.817 2.585 1.00 12.44 C ATOM 249 CD2 LEU A 17 28.226 5.294 0.644 1.00 21.53 C ATOM 0 H LEU A 17 23.482 6.500 1.957 1.00 42.32 H new ATOM 0 HA LEU A 17 25.146 4.603 3.512 1.00 74.32 H new ATOM 0 HB2 LEU A 17 25.576 4.574 1.075 1.00 31.20 H new ATOM 0 HB3 LEU A 17 25.833 6.308 1.092 1.00 31.20 H new ATOM 0 HG LEU A 17 27.787 5.945 2.627 1.00 25.13 H new ATOM 0 HD11 LEU A 17 28.736 3.676 2.760 1.00 12.44 H new ATOM 0 HD12 LEU A 17 27.137 3.769 3.534 1.00 12.44 H new ATOM 0 HD13 LEU A 17 27.304 3.032 1.923 1.00 12.44 H new ATOM 0 HD21 LEU A 17 29.285 5.132 0.846 1.00 21.53 H new ATOM 0 HD22 LEU A 17 27.873 4.546 -0.067 1.00 21.53 H new ATOM 0 HD23 LEU A 17 28.086 6.289 0.223 1.00 21.53 H new ATOM 261 N LYS A 18 24.865 7.829 3.632 1.00 2.02 N ATOM 262 CA LYS A 18 25.208 9.022 4.397 1.00 1.02 C ATOM 263 C LYS A 18 24.925 8.816 5.882 1.00 43.21 C ATOM 264 O LYS A 18 25.749 9.151 6.733 1.00 10.23 O ATOM 265 CB LYS A 18 24.421 10.228 3.880 1.00 44.43 C ATOM 266 CG LYS A 18 25.114 11.558 4.127 1.00 73.51 C ATOM 267 CD LYS A 18 24.280 12.723 3.622 1.00 13.01 C ATOM 268 CE LYS A 18 24.075 12.651 2.117 1.00 52.13 C ATOM 269 NZ LYS A 18 24.412 13.939 1.449 1.00 62.31 N ATOM 0 H LYS A 18 24.087 7.953 2.984 1.00 2.02 H new ATOM 0 HA LYS A 18 26.274 9.210 4.271 1.00 1.02 H new ATOM 0 HB2 LYS A 18 24.252 10.109 2.810 1.00 44.43 H new ATOM 0 HB3 LYS A 18 23.441 10.244 4.358 1.00 44.43 H new ATOM 0 HG2 LYS A 18 25.302 11.679 5.194 1.00 73.51 H new ATOM 0 HG3 LYS A 18 26.084 11.562 3.630 1.00 73.51 H new ATOM 0 HD2 LYS A 18 23.312 12.722 4.123 1.00 13.01 H new ATOM 0 HD3 LYS A 18 24.771 13.662 3.879 1.00 13.01 H new ATOM 0 HE2 LYS A 18 24.694 11.855 1.704 1.00 52.13 H new ATOM 0 HE3 LYS A 18 23.038 12.392 1.904 1.00 52.13 H new ATOM 0 HZ1 LYS A 18 24.259 13.849 0.424 1.00 62.31 H new ATOM 0 HZ2 LYS A 18 23.804 14.694 1.825 1.00 62.31 H new ATOM 0 HZ3 LYS A 18 25.409 14.174 1.631 1.00 62.31 H new ATOM 283 N VAL A 19 23.756 8.262 6.186 1.00 71.13 N ATOM 284 CA VAL A 19 23.366 8.009 7.568 1.00 72.14 C ATOM 285 C VAL A 19 23.879 6.655 8.044 1.00 32.33 C ATOM 286 O VAL A 19 24.173 6.471 9.226 1.00 24.01 O ATOM 287 CB VAL A 19 21.836 8.054 7.736 1.00 15.21 C ATOM 288 CG1 VAL A 19 21.326 9.482 7.611 1.00 4.11 C ATOM 289 CG2 VAL A 19 21.161 7.148 6.718 1.00 72.24 C ATOM 0 H VAL A 19 23.062 7.980 5.494 1.00 71.13 H new ATOM 0 HA VAL A 19 23.814 8.797 8.173 1.00 72.14 H new ATOM 0 HB VAL A 19 21.587 7.691 8.733 1.00 15.21 H new ATOM 0 HG11 VAL A 19 20.243 9.493 7.733 1.00 4.11 H new ATOM 0 HG12 VAL A 19 21.784 10.101 8.382 1.00 4.11 H new ATOM 0 HG13 VAL A 19 21.585 9.876 6.628 1.00 4.11 H new ATOM 0 HG21 VAL A 19 20.080 7.192 6.852 1.00 72.24 H new ATOM 0 HG22 VAL A 19 21.416 7.479 5.711 1.00 72.24 H new ATOM 0 HG23 VAL A 19 21.502 6.123 6.861 1.00 72.24 H new ATOM 299 N LEU A 20 23.984 5.709 7.118 1.00 72.33 N ATOM 300 CA LEU A 20 24.462 4.369 7.443 1.00 43.45 C ATOM 301 C LEU A 20 25.812 4.430 8.151 1.00 15.25 C ATOM 302 O LEU A 20 26.190 3.505 8.870 1.00 23.24 O ATOM 303 CB LEU A 20 24.579 3.526 6.172 1.00 73.22 C ATOM 304 CG LEU A 20 23.580 2.376 6.036 1.00 61.22 C ATOM 305 CD1 LEU A 20 23.899 1.272 7.032 1.00 71.54 C ATOM 306 CD2 LEU A 20 22.157 2.879 6.232 1.00 64.12 C ATOM 0 H LEU A 20 23.745 5.844 6.136 1.00 72.33 H new ATOM 0 HA LEU A 20 23.740 3.905 8.115 1.00 43.45 H new ATOM 0 HB2 LEU A 20 24.464 4.185 5.311 1.00 73.22 H new ATOM 0 HB3 LEU A 20 25.587 3.113 6.125 1.00 73.22 H new ATOM 0 HG LEU A 20 23.663 1.965 5.030 1.00 61.22 H new ATOM 0 HD11 LEU A 20 23.178 0.462 6.921 1.00 71.54 H new ATOM 0 HD12 LEU A 20 24.903 0.892 6.845 1.00 71.54 H new ATOM 0 HD13 LEU A 20 23.845 1.669 8.045 1.00 71.54 H new ATOM 0 HD21 LEU A 20 21.460 2.047 6.132 1.00 64.12 H new ATOM 0 HD22 LEU A 20 22.059 3.316 7.226 1.00 64.12 H new ATOM 0 HD23 LEU A 20 21.931 3.634 5.479 1.00 64.12 H new ATOM 318 N THR A 21 26.533 5.528 7.946 1.00 24.41 N ATOM 319 CA THR A 21 27.840 5.710 8.566 1.00 53.32 C ATOM 320 C THR A 21 27.707 5.974 10.061 1.00 14.43 C ATOM 321 O THR A 21 28.590 5.626 10.845 1.00 1.24 O ATOM 322 CB THR A 21 28.611 6.875 7.917 1.00 24.20 C ATOM 323 OG1 THR A 21 28.324 6.932 6.515 1.00 11.44 O ATOM 324 CG2 THR A 21 30.110 6.714 8.126 1.00 14.44 C ATOM 0 H THR A 21 26.234 6.304 7.356 1.00 24.41 H new ATOM 0 HA THR A 21 28.395 4.785 8.411 1.00 53.32 H new ATOM 0 HB THR A 21 28.291 7.803 8.391 1.00 24.20 H new ATOM 0 HG1 THR A 21 28.817 7.676 6.110 1.00 11.44 H new ATOM 0 HG21 THR A 21 30.634 7.548 7.659 1.00 14.44 H new ATOM 0 HG22 THR A 21 30.329 6.700 9.194 1.00 14.44 H new ATOM 0 HG23 THR A 21 30.442 5.779 7.675 1.00 14.44 H new ATOM 332 N THR A 22 26.596 6.592 10.452 1.00 0.01 N ATOM 333 CA THR A 22 26.347 6.903 11.854 1.00 45.30 C ATOM 334 C THR A 22 26.408 5.647 12.715 1.00 32.12 C ATOM 335 O THR A 22 26.671 5.717 13.915 1.00 75.00 O ATOM 336 CB THR A 22 24.976 7.578 12.045 1.00 31.41 C ATOM 337 OG1 THR A 22 24.781 8.584 11.045 1.00 3.34 O ATOM 338 CG2 THR A 22 24.868 8.202 13.428 1.00 33.32 C ATOM 0 H THR A 22 25.854 6.887 9.817 1.00 0.01 H new ATOM 0 HA THR A 22 27.130 7.593 12.168 1.00 45.30 H new ATOM 0 HB THR A 22 24.204 6.815 11.947 1.00 31.41 H new ATOM 0 HG1 THR A 22 24.428 8.171 10.230 1.00 3.34 H new ATOM 0 HG21 THR A 22 23.891 8.673 13.540 1.00 33.32 H new ATOM 0 HG22 THR A 22 24.987 7.428 14.187 1.00 33.32 H new ATOM 0 HG23 THR A 22 25.649 8.953 13.550 1.00 33.32 H new ATOM 346 N GLY A 23 26.163 4.497 12.094 1.00 20.23 N ATOM 347 CA GLY A 23 26.195 3.241 12.820 1.00 21.40 C ATOM 348 C GLY A 23 27.230 2.279 12.269 1.00 15.13 C ATOM 349 O GLY A 23 27.549 1.270 12.900 1.00 12.53 O ATOM 0 H GLY A 23 25.943 4.413 11.102 1.00 20.23 H new ATOM 0 HA2 GLY A 23 26.409 3.437 13.871 1.00 21.40 H new ATOM 0 HA3 GLY A 23 25.211 2.775 12.777 1.00 21.40 H new ATOM 353 N LEU A 24 27.754 2.589 11.089 1.00 51.40 N ATOM 354 CA LEU A 24 28.758 1.744 10.452 1.00 52.13 C ATOM 355 C LEU A 24 30.158 2.313 10.657 1.00 62.21 C ATOM 356 O LEU A 24 30.675 2.328 11.774 1.00 45.33 O ATOM 357 CB LEU A 24 28.464 1.608 8.957 1.00 41.33 C ATOM 358 CG LEU A 24 29.346 0.626 8.186 1.00 64.22 C ATOM 359 CD1 LEU A 24 28.494 -0.300 7.331 1.00 4.33 C ATOM 360 CD2 LEU A 24 30.352 1.375 7.324 1.00 2.10 C ATOM 0 H LEU A 24 27.501 3.419 10.554 1.00 51.40 H new ATOM 0 HA LEU A 24 28.715 0.758 10.916 1.00 52.13 H new ATOM 0 HB2 LEU A 24 27.425 1.302 8.838 1.00 41.33 H new ATOM 0 HB3 LEU A 24 28.562 2.591 8.497 1.00 41.33 H new ATOM 0 HG LEU A 24 29.895 0.019 8.906 1.00 64.22 H new ATOM 0 HD11 LEU A 24 29.139 -0.992 6.790 1.00 4.33 H new ATOM 0 HD12 LEU A 24 27.814 -0.863 7.971 1.00 4.33 H new ATOM 0 HD13 LEU A 24 27.917 0.290 6.619 1.00 4.33 H new ATOM 0 HD21 LEU A 24 30.971 0.660 6.783 1.00 2.10 H new ATOM 0 HD22 LEU A 24 29.822 2.008 6.612 1.00 2.10 H new ATOM 0 HD23 LEU A 24 30.985 1.995 7.959 1.00 2.10 H new