USER MOD reduce.3.24.130724 H: found=0, std=0, add=171, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 173 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 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.467 K(o=-0.47,f=-0.98) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 13.872 0.488 14.784 1.00 0.00 N ATOM 2 CA LYS A 1 12.839 0.390 15.856 1.00 0.00 C ATOM 3 C LYS A 1 11.720 -0.562 15.425 1.00 0.00 C ATOM 4 O LYS A 1 11.537 -1.619 15.998 1.00 0.00 O ATOM 5 CB LYS A 1 12.301 1.815 16.021 1.00 0.00 C ATOM 6 CG LYS A 1 12.539 2.292 17.456 1.00 0.00 C ATOM 7 CD LYS A 1 12.933 3.770 17.446 1.00 0.00 C ATOM 8 CE LYS A 1 12.655 4.385 18.820 1.00 0.00 C ATOM 9 NZ LYS A 1 11.402 5.171 18.643 1.00 0.00 N1+ ATOM 0 H1 LYS A 1 14.626 1.137 15.087 1.00 0.00 H new ATOM 0 H2 LYS A 1 14.276 -0.453 14.604 1.00 0.00 H new ATOM 0 H3 LYS A 1 13.435 0.849 13.912 1.00 0.00 H new ATOM 0 HA LYS A 1 13.246 -0.001 16.789 1.00 0.00 H new ATOM 0 HB2 LYS A 1 12.796 2.485 15.318 1.00 0.00 H new ATOM 0 HB3 LYS A 1 11.236 1.841 15.790 1.00 0.00 H new ATOM 0 HG2 LYS A 1 11.637 2.149 18.052 1.00 0.00 H new ATOM 0 HG3 LYS A 1 13.326 1.698 17.922 1.00 0.00 H new ATOM 0 HD2 LYS A 1 13.989 3.874 17.197 1.00 0.00 H new ATOM 0 HD3 LYS A 1 12.371 4.301 16.678 1.00 0.00 H new ATOM 0 HE2 LYS A 1 12.533 3.614 19.581 1.00 0.00 H new ATOM 0 HE3 LYS A 1 13.479 5.022 19.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 11.146 5.624 19.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 11.550 5.902 17.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 10.634 4.537 18.344 1.00 0.00 H new ATOM 25 N ILE A 2 10.970 -0.196 14.421 1.00 0.00 N ATOM 26 CA ILE A 2 9.862 -1.078 13.952 1.00 0.00 C ATOM 27 C ILE A 2 9.913 -1.231 12.429 1.00 0.00 C ATOM 28 O ILE A 2 8.895 -1.287 11.767 1.00 0.00 O ATOM 29 CB ILE A 2 8.576 -0.368 14.381 1.00 0.00 C ATOM 30 CG1 ILE A 2 8.543 1.045 13.790 1.00 0.00 C ATOM 31 CG2 ILE A 2 8.527 -0.278 15.907 1.00 0.00 C ATOM 32 CD1 ILE A 2 7.091 1.463 13.548 1.00 0.00 C ATOM 0 H ILE A 2 11.077 0.677 13.904 1.00 0.00 H new ATOM 0 HA ILE A 2 9.930 -2.082 14.372 1.00 0.00 H new ATOM 0 HB ILE A 2 7.717 -0.933 14.019 1.00 0.00 H new ATOM 0 HG12 ILE A 2 9.026 1.747 14.470 1.00 0.00 H new ATOM 0 HG13 ILE A 2 9.101 1.072 12.854 1.00 0.00 H new ATOM 0 HG21 ILE A 2 7.611 0.228 16.212 1.00 0.00 H new ATOM 0 HG22 ILE A 2 8.546 -1.282 16.331 1.00 0.00 H new ATOM 0 HG23 ILE A 2 9.389 0.284 16.266 1.00 0.00 H new ATOM 0 HD11 ILE A 2 7.067 2.468 13.128 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.623 0.767 12.852 1.00 0.00 H new ATOM 0 HD13 ILE A 2 6.547 1.452 14.492 1.00 0.00 H new ATOM 44 N PHE A 3 11.092 -1.299 11.869 1.00 0.00 N ATOM 45 CA PHE A 3 11.211 -1.449 10.389 1.00 0.00 C ATOM 46 C PHE A 3 12.074 -2.668 10.051 1.00 0.00 C ATOM 47 O PHE A 3 13.254 -2.702 10.337 1.00 0.00 O ATOM 48 CB PHE A 3 11.887 -0.162 9.908 1.00 0.00 C ATOM 49 CG PHE A 3 11.053 1.030 10.314 1.00 0.00 C ATOM 50 CD1 PHE A 3 11.376 1.749 11.471 1.00 0.00 C ATOM 51 CD2 PHE A 3 9.957 1.416 9.533 1.00 0.00 C ATOM 52 CE1 PHE A 3 10.603 2.854 11.847 1.00 0.00 C ATOM 53 CE2 PHE A 3 9.184 2.521 9.909 1.00 0.00 C ATOM 54 CZ PHE A 3 9.507 3.240 11.067 1.00 0.00 C ATOM 0 H PHE A 3 11.978 -1.257 12.373 1.00 0.00 H new ATOM 0 HA PHE A 3 10.243 -1.601 9.911 1.00 0.00 H new ATOM 0 HB2 PHE A 3 12.886 -0.082 10.336 1.00 0.00 H new ATOM 0 HB3 PHE A 3 12.005 -0.184 8.825 1.00 0.00 H new ATOM 0 HD1 PHE A 3 12.221 1.451 12.073 1.00 0.00 H new ATOM 0 HD2 PHE A 3 9.708 0.861 8.640 1.00 0.00 H new ATOM 0 HE1 PHE A 3 10.853 3.409 12.739 1.00 0.00 H new ATOM 0 HE2 PHE A 3 8.339 2.819 9.306 1.00 0.00 H new ATOM 0 HZ PHE A 3 8.910 4.092 11.358 1.00 0.00 H new ATOM 64 N GLY A 4 11.491 -3.668 9.446 1.00 0.00 N ATOM 65 CA GLY A 4 12.273 -4.887 9.089 1.00 0.00 C ATOM 66 C GLY A 4 13.247 -4.560 7.955 1.00 0.00 C ATOM 67 O GLY A 4 14.315 -4.025 8.178 1.00 0.00 O ATOM 0 H GLY A 4 10.506 -3.693 9.183 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.821 -5.247 9.960 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.599 -5.687 8.783 1.00 0.00 H new ATOM 71 N ALA A 5 12.887 -4.882 6.741 1.00 0.00 N ATOM 72 CA ALA A 5 13.793 -4.594 5.590 1.00 0.00 C ATOM 73 C ALA A 5 13.381 -3.288 4.902 1.00 0.00 C ATOM 74 O ALA A 5 13.061 -3.267 3.730 1.00 0.00 O ATOM 75 CB ALA A 5 13.617 -5.780 4.641 1.00 0.00 C ATOM 0 H ALA A 5 12.005 -5.332 6.496 1.00 0.00 H new ATOM 0 HA ALA A 5 14.830 -4.472 5.902 1.00 0.00 H new ATOM 0 HB1 ALA A 5 14.252 -5.643 3.766 1.00 0.00 H new ATOM 0 HB2 ALA A 5 13.898 -6.700 5.153 1.00 0.00 H new ATOM 0 HB3 ALA A 5 12.575 -5.843 4.327 1.00 0.00 H new ATOM 81 N ILE A 6 13.390 -2.200 5.623 1.00 0.00 N ATOM 82 CA ILE A 6 13.002 -0.894 5.015 1.00 0.00 C ATOM 83 C ILE A 6 14.257 -0.107 4.623 1.00 0.00 C ATOM 84 O ILE A 6 14.338 0.459 3.551 1.00 0.00 O ATOM 85 CB ILE A 6 12.221 -0.165 6.113 1.00 0.00 C ATOM 86 CG1 ILE A 6 10.855 -0.833 6.294 1.00 0.00 C ATOM 87 CG2 ILE A 6 12.016 1.302 5.724 1.00 0.00 C ATOM 88 CD1 ILE A 6 11.008 -2.099 7.139 1.00 0.00 C ATOM 0 H ILE A 6 13.650 -2.159 6.609 1.00 0.00 H new ATOM 0 HA ILE A 6 12.408 -1.013 4.109 1.00 0.00 H new ATOM 0 HB ILE A 6 12.785 -0.215 7.044 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.163 -0.143 6.777 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.430 -1.082 5.322 1.00 0.00 H new ATOM 0 HG21 ILE A 6 11.460 1.813 6.510 1.00 0.00 H new ATOM 0 HG22 ILE A 6 12.986 1.783 5.594 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.456 1.356 4.790 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.034 -2.572 7.266 1.00 0.00 H new ATOM 0 HD12 ILE A 6 11.685 -2.791 6.638 1.00 0.00 H new ATOM 0 HD13 ILE A 6 11.414 -1.837 8.116 1.00 0.00 H new ATOM 100 N TRP A 7 15.233 -0.067 5.490 1.00 0.00 N ATOM 101 CA TRP A 7 16.484 0.685 5.177 1.00 0.00 C ATOM 102 C TRP A 7 17.298 -0.033 4.087 1.00 0.00 C ATOM 103 O TRP A 7 17.735 0.597 3.144 1.00 0.00 O ATOM 104 CB TRP A 7 17.268 0.745 6.493 1.00 0.00 C ATOM 105 CG TRP A 7 16.376 1.229 7.594 1.00 0.00 C ATOM 106 CD1 TRP A 7 15.842 0.445 8.558 1.00 0.00 C ATOM 107 CD2 TRP A 7 15.905 2.582 7.858 1.00 0.00 C ATOM 108 NE1 TRP A 7 15.075 1.231 9.399 1.00 0.00 N ATOM 109 CE2 TRP A 7 15.082 2.555 9.008 1.00 0.00 C ATOM 110 CE3 TRP A 7 16.110 3.818 7.218 1.00 0.00 C ATOM 111 CZ2 TRP A 7 14.483 3.712 9.507 1.00 0.00 C ATOM 112 CZ3 TRP A 7 15.508 4.985 7.717 1.00 0.00 C ATOM 113 CH2 TRP A 7 14.697 4.932 8.859 1.00 0.00 C ATOM 0 H TRP A 7 15.219 -0.523 6.402 1.00 0.00 H new ATOM 0 HA TRP A 7 16.267 1.682 4.792 1.00 0.00 H new ATOM 0 HB2 TRP A 7 17.661 -0.242 6.738 1.00 0.00 H new ATOM 0 HB3 TRP A 7 18.124 1.411 6.387 1.00 0.00 H new ATOM 0 HD1 TRP A 7 15.990 -0.620 8.655 1.00 0.00 H new ATOM 0 HE1 TRP A 7 14.567 0.876 10.209 1.00 0.00 H new ATOM 0 HE3 TRP A 7 16.734 3.870 6.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 13.859 3.665 10.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 15.671 5.929 7.218 1.00 0.00 H new ATOM 0 HH2 TRP A 7 14.238 5.833 9.238 1.00 0.00 H new ATOM 124 N PRO A 8 17.488 -1.327 4.239 1.00 0.00 N ATOM 125 CA PRO A 8 18.267 -2.087 3.229 1.00 0.00 C ATOM 126 C PRO A 8 17.491 -2.182 1.912 1.00 0.00 C ATOM 127 O PRO A 8 18.068 -2.205 0.843 1.00 0.00 O ATOM 128 CB PRO A 8 18.440 -3.469 3.855 1.00 0.00 C ATOM 129 CG PRO A 8 17.353 -3.585 4.874 1.00 0.00 C ATOM 130 CD PRO A 8 17.012 -2.191 5.331 1.00 0.00 C ATOM 0 HA PRO A 8 19.220 -1.615 2.990 1.00 0.00 H new ATOM 0 HB2 PRO A 8 18.358 -4.254 3.103 1.00 0.00 H new ATOM 0 HB3 PRO A 8 19.422 -3.571 4.316 1.00 0.00 H new ATOM 0 HG2 PRO A 8 16.477 -4.074 4.447 1.00 0.00 H new ATOM 0 HG3 PRO A 8 17.680 -4.196 5.716 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.940 -2.076 5.492 1.00 0.00 H new ATOM 0 HD3 PRO A 8 17.504 -1.949 6.273 1.00 0.00 H new ATOM 138 N LEU A 9 16.188 -2.238 1.982 1.00 0.00 N ATOM 139 CA LEU A 9 15.376 -2.333 0.733 1.00 0.00 C ATOM 140 C LEU A 9 15.329 -0.978 0.020 1.00 0.00 C ATOM 141 O LEU A 9 15.091 -0.901 -1.169 1.00 0.00 O ATOM 142 CB LEU A 9 13.978 -2.744 1.197 1.00 0.00 C ATOM 143 CG LEU A 9 13.077 -2.960 -0.021 1.00 0.00 C ATOM 144 CD1 LEU A 9 12.097 -4.099 0.265 1.00 0.00 C ATOM 145 CD2 LEU A 9 12.296 -1.677 -0.311 1.00 0.00 C ATOM 0 H LEU A 9 15.651 -2.222 2.849 1.00 0.00 H new ATOM 0 HA LEU A 9 15.797 -3.046 0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.034 -3.658 1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.556 -1.973 1.842 1.00 0.00 H new ATOM 0 HG LEU A 9 13.690 -3.216 -0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.455 -4.253 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 9 12.653 -5.014 0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 9 11.484 -3.843 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 9 11.654 -1.830 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 9 11.683 -1.421 0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 9 12.994 -0.865 -0.515 1.00 0.00 H new ATOM 157 N ALA A 10 15.554 0.092 0.738 1.00 0.00 N ATOM 158 CA ALA A 10 15.522 1.442 0.099 1.00 0.00 C ATOM 159 C ALA A 10 16.582 1.534 -1.002 1.00 0.00 C ATOM 160 O ALA A 10 16.268 1.684 -2.167 1.00 0.00 O ATOM 161 CB ALA A 10 15.836 2.424 1.228 1.00 0.00 C ATOM 0 H ALA A 10 15.758 0.090 1.737 1.00 0.00 H new ATOM 0 HA ALA A 10 14.560 1.653 -0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 10 15.831 3.441 0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.082 2.332 2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 10 16.819 2.199 1.643 1.00 0.00 H new ATOM 167 N LEU A 11 17.834 1.447 -0.642 1.00 0.00 N ATOM 168 CA LEU A 11 18.917 1.531 -1.667 1.00 0.00 C ATOM 169 C LEU A 11 18.790 0.381 -2.672 1.00 0.00 C ATOM 170 O LEU A 11 19.241 0.477 -3.797 1.00 0.00 O ATOM 171 CB LEU A 11 20.225 1.417 -0.880 1.00 0.00 C ATOM 172 CG LEU A 11 20.258 0.089 -0.116 1.00 0.00 C ATOM 173 CD1 LEU A 11 21.094 -0.929 -0.895 1.00 0.00 C ATOM 174 CD2 LEU A 11 20.882 0.310 1.264 1.00 0.00 C ATOM 0 H LEU A 11 18.155 1.321 0.318 1.00 0.00 H new ATOM 0 HA LEU A 11 18.868 2.457 -2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 11 21.075 1.477 -1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 11 20.314 2.250 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 11 19.242 -0.288 -0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 11 21.117 -1.873 -0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 11 20.651 -1.087 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 11 22.110 -0.552 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 11 20.906 -0.634 1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 11 21.898 0.687 1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 11 20.287 1.034 1.820 1.00 0.00 H new ATOM 186 N GLY A 12 18.180 -0.705 -2.275 1.00 0.00 N ATOM 187 CA GLY A 12 18.025 -1.860 -3.207 1.00 0.00 C ATOM 188 C GLY A 12 17.220 -1.427 -4.434 1.00 0.00 C ATOM 189 O GLY A 12 17.532 -1.790 -5.551 1.00 0.00 O ATOM 0 H GLY A 12 17.783 -0.842 -1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.005 -2.227 -3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 12 17.521 -2.683 -2.701 1.00 0.00 H new ATOM 193 N ALA A 13 16.187 -0.652 -4.234 1.00 0.00 N ATOM 194 CA ALA A 13 15.361 -0.193 -5.388 1.00 0.00 C ATOM 195 C ALA A 13 16.029 0.998 -6.084 1.00 0.00 C ATOM 196 O ALA A 13 15.738 1.305 -7.223 1.00 0.00 O ATOM 197 CB ALA A 13 14.023 0.225 -4.777 1.00 0.00 C ATOM 0 H ALA A 13 15.880 -0.317 -3.321 1.00 0.00 H new ATOM 0 HA ALA A 13 15.241 -0.971 -6.142 1.00 0.00 H new ATOM 0 HB1 ALA A 13 13.357 0.576 -5.565 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.570 -0.629 -4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.187 1.026 -4.056 1.00 0.00 H new ATOM 203 N LEU A 14 16.923 1.671 -5.407 1.00 0.00 N ATOM 204 CA LEU A 14 17.607 2.842 -6.031 1.00 0.00 C ATOM 205 C LEU A 14 18.440 2.391 -7.234 1.00 0.00 C ATOM 206 O LEU A 14 18.279 2.888 -8.332 1.00 0.00 O ATOM 207 CB LEU A 14 18.513 3.406 -4.935 1.00 0.00 C ATOM 208 CG LEU A 14 18.576 4.930 -5.059 1.00 0.00 C ATOM 209 CD1 LEU A 14 17.537 5.562 -4.130 1.00 0.00 C ATOM 210 CD2 LEU A 14 19.973 5.416 -4.665 1.00 0.00 C ATOM 0 H LEU A 14 17.208 1.461 -4.451 1.00 0.00 H new ATOM 0 HA LEU A 14 16.898 3.585 -6.396 1.00 0.00 H new ATOM 0 HB2 LEU A 14 18.132 3.126 -3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.513 2.982 -5.021 1.00 0.00 H new ATOM 0 HG LEU A 14 18.366 5.219 -6.089 1.00 0.00 H new ATOM 0 HD11 LEU A 14 17.582 6.647 -4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.542 5.216 -4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.746 5.273 -3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.019 6.501 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.182 5.126 -3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 14 20.714 4.967 -5.326 1.00 0.00 H new ATOM 222 N LYS A 15 19.331 1.455 -7.035 1.00 0.00 N ATOM 223 CA LYS A 15 20.178 0.972 -8.168 1.00 0.00 C ATOM 224 C LYS A 15 19.301 0.441 -9.306 1.00 0.00 C ATOM 225 O LYS A 15 19.658 0.520 -10.465 1.00 0.00 O ATOM 226 CB LYS A 15 21.036 -0.152 -7.578 1.00 0.00 C ATOM 227 CG LYS A 15 20.133 -1.256 -7.018 1.00 0.00 C ATOM 228 CD LYS A 15 19.888 -2.317 -8.096 1.00 0.00 C ATOM 229 CE LYS A 15 20.629 -3.605 -7.728 1.00 0.00 C ATOM 230 NZ LYS A 15 20.862 -4.299 -9.025 1.00 0.00 N1+ ATOM 0 H LYS A 15 19.509 1.004 -6.138 1.00 0.00 H new ATOM 0 HA LYS A 15 20.789 1.770 -8.590 1.00 0.00 H new ATOM 0 HB2 LYS A 15 21.693 -0.561 -8.345 1.00 0.00 H new ATOM 0 HB3 LYS A 15 21.676 0.243 -6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 15 20.598 -1.712 -6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 15 19.184 -0.832 -6.689 1.00 0.00 H new ATOM 0 HD2 LYS A 15 18.820 -2.514 -8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.231 -1.952 -9.064 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.570 -3.388 -7.222 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.037 -4.221 -7.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.367 -5.192 -8.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.949 -4.498 -9.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.434 -3.691 -9.646 1.00 0.00 H new ATOM 244 N ASN A 16 18.155 -0.097 -8.984 1.00 0.00 N ATOM 245 CA ASN A 16 17.256 -0.632 -10.049 1.00 0.00 C ATOM 246 C ASN A 16 16.852 0.485 -11.017 1.00 0.00 C ATOM 247 O ASN A 16 16.439 0.232 -12.132 1.00 0.00 O ATOM 248 CB ASN A 16 16.031 -1.166 -9.304 1.00 0.00 C ATOM 249 CG ASN A 16 16.259 -2.632 -8.933 1.00 0.00 C ATOM 250 OD1 ASN A 16 16.177 -3.504 -9.775 1.00 0.00 O ATOM 251 ND2 ASN A 16 16.545 -2.943 -7.698 1.00 0.00 N ATOM 0 H ASN A 16 17.802 -0.189 -8.031 1.00 0.00 H new ATOM 0 HA ASN A 16 17.740 -1.406 -10.645 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.853 -0.576 -8.405 1.00 0.00 H new ATOM 0 HB3 ASN A 16 15.143 -1.072 -9.928 1.00 0.00 H new ATOM 0 HD21 ASN A 16 16.700 -3.918 -7.440 1.00 0.00 H new ATOM 0 HD22 ASN A 16 16.614 -2.211 -6.991 1.00 0.00 H new ATOM 258 N LEU A 17 16.968 1.719 -10.600 1.00 0.00 N ATOM 259 CA LEU A 17 16.591 2.851 -11.498 1.00 0.00 C ATOM 260 C LEU A 17 17.842 3.451 -12.142 1.00 0.00 C ATOM 261 O LEU A 17 18.007 3.425 -13.346 1.00 0.00 O ATOM 262 CB LEU A 17 15.918 3.883 -10.587 1.00 0.00 C ATOM 263 CG LEU A 17 14.781 3.222 -9.805 1.00 0.00 C ATOM 264 CD1 LEU A 17 14.204 4.223 -8.801 1.00 0.00 C ATOM 265 CD2 LEU A 17 13.681 2.776 -10.775 1.00 0.00 C ATOM 0 H LEU A 17 17.307 1.992 -9.677 1.00 0.00 H new ATOM 0 HA LEU A 17 15.933 2.530 -12.306 1.00 0.00 H new ATOM 0 HB2 LEU A 17 16.649 4.304 -9.897 1.00 0.00 H new ATOM 0 HB3 LEU A 17 15.530 4.709 -11.183 1.00 0.00 H new ATOM 0 HG LEU A 17 15.165 2.353 -9.271 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.394 3.753 -8.243 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.986 4.537 -8.110 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.821 5.093 -9.334 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.872 2.305 -10.216 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.295 3.643 -11.311 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.093 2.062 -11.488 1.00 0.00 H new ATOM 277 N ILE A 18 18.722 3.995 -11.345 1.00 0.00 N ATOM 278 CA ILE A 18 19.965 4.604 -11.903 1.00 0.00 C ATOM 279 C ILE A 18 20.798 3.543 -12.632 1.00 0.00 C ATOM 280 O ILE A 18 21.510 3.839 -13.571 1.00 0.00 O ATOM 281 CB ILE A 18 20.725 5.151 -10.690 1.00 0.00 C ATOM 282 CG1 ILE A 18 21.063 4.005 -9.730 1.00 0.00 C ATOM 283 CG2 ILE A 18 19.859 6.187 -9.964 1.00 0.00 C ATOM 284 CD1 ILE A 18 21.941 4.532 -8.593 1.00 0.00 C ATOM 0 H ILE A 18 18.634 4.044 -10.330 1.00 0.00 H new ATOM 0 HA ILE A 18 19.748 5.387 -12.630 1.00 0.00 H new ATOM 0 HB ILE A 18 21.648 5.622 -11.029 1.00 0.00 H new ATOM 0 HG12 ILE A 18 20.147 3.573 -9.326 1.00 0.00 H new ATOM 0 HG13 ILE A 18 21.582 3.209 -10.265 1.00 0.00 H new ATOM 0 HG21 ILE A 18 20.401 6.575 -9.102 1.00 0.00 H new ATOM 0 HG22 ILE A 18 19.625 7.006 -10.644 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.934 5.718 -9.630 1.00 0.00 H new ATOM 0 HD11 ILE A 18 22.181 3.717 -7.911 1.00 0.00 H new ATOM 0 HD12 ILE A 18 22.862 4.943 -9.005 1.00 0.00 H new ATOM 0 HD13 ILE A 18 21.406 5.312 -8.052 1.00 0.00 H new ATOM 296 N LYS A 19 20.714 2.312 -12.204 1.00 0.00 N ATOM 297 CA LYS A 19 21.501 1.233 -12.870 1.00 0.00 C ATOM 298 C LYS A 19 20.561 0.163 -13.434 1.00 0.00 C ATOM 299 O LYS A 19 19.518 -0.108 -12.874 1.00 0.00 O ATOM 300 CB LYS A 19 22.382 0.647 -11.766 1.00 0.00 C ATOM 301 CG LYS A 19 23.663 1.473 -11.644 1.00 0.00 C ATOM 302 CD LYS A 19 24.555 1.217 -12.862 1.00 0.00 C ATOM 303 CE LYS A 19 26.023 1.230 -12.432 1.00 0.00 C ATOM 304 NZ LYS A 19 26.793 0.995 -13.685 1.00 0.00 N1+ ATOM 0 H LYS A 19 20.135 2.006 -11.422 1.00 0.00 H new ATOM 0 HA LYS A 19 22.091 1.608 -13.706 1.00 0.00 H new ATOM 0 HB2 LYS A 19 21.844 0.648 -10.818 1.00 0.00 H new ATOM 0 HB3 LYS A 19 22.626 -0.391 -11.993 1.00 0.00 H new ATOM 0 HG2 LYS A 19 23.419 2.533 -11.575 1.00 0.00 H new ATOM 0 HG3 LYS A 19 24.193 1.208 -10.729 1.00 0.00 H new ATOM 0 HD2 LYS A 19 24.306 0.256 -13.313 1.00 0.00 H new ATOM 0 HD3 LYS A 19 24.381 1.980 -13.621 1.00 0.00 H new ATOM 0 HE2 LYS A 19 26.292 2.183 -11.976 1.00 0.00 H new ATOM 0 HE3 LYS A 19 26.225 0.454 -11.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 27.811 0.990 -13.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 26.521 0.078 -14.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 26.586 1.753 -14.367 1.00 0.00 H new HETATM 318 N NH2 A 20 20.892 -0.462 -14.531 1.00 0.00 N TER 321 NH2 A 20