USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 280 hydrogens (156 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 NoAdj-H: A 4 DLE H2 : A 4 DLE N : A 3 ALA C :(H bumps) USER MOD NoAdj-H: A 6 DVA H2 : A 6 DVA N : A 5 ALA C :(H bumps) USER MOD NoAdj-H: A 6 DVA H : A 6 DVA N : A 5 ALA C :(H bumps) USER MOD NoAdj-H: A 8 DVA H2 : A 8 DVA N : A 7 VAL C :(H bumps) USER MOD NoAdj-H: A 8 DVA H : A 8 DVA N : A 7 VAL C :(H bumps) USER MOD NoAdj-H: A 10 DLE H2 : A 10 DLE N : A 9 TRP C :(H bumps) USER MOD NoAdj-H: A 12 DLE H2 : A 12 DLE N : A 11 TRP C :(H bumps) USER MOD NoAdj-H: A 12 DLE H : A 12 DLE N : A 11 TRP C :(H bumps) USER MOD NoAdj-H: A 14 DLE H2 : A 14 DLE N : A 13 TRP C :(H bumps) USER MOD NoAdj-H: A 16 ETA HN2 : A 16 ETA N : A 15 TRP C :(H bumps) USER MOD NoAdj-H: B 4 DLE H2 : B 4 DLE N : B 3 ALA C :(H bumps) USER MOD NoAdj-H: B 6 DVA H2 : B 6 DVA N : B 5 ALA C :(H bumps) USER MOD NoAdj-H: B 6 DVA H : B 6 DVA N : B 5 ALA C :(H bumps) USER MOD NoAdj-H: B 8 DVA H2 : B 8 DVA N : B 7 VAL C :(H bumps) USER MOD NoAdj-H: B 8 DVA H : B 8 DVA N : B 7 VAL C :(H bumps) USER MOD NoAdj-H: B 10 DLE H2 : B 10 DLE N : B 9 TRP C :(H bumps) USER MOD NoAdj-H: B 12 DLE H2 : B 12 DLE N : B 11 TRP C :(H bumps) USER MOD NoAdj-H: B 12 DLE H : B 12 DLE N : B 11 TRP C :(H bumps) USER MOD NoAdj-H: B 14 DLE H2 : B 14 DLE N : B 13 TRP C :(H bumps) USER MOD NoAdj-H: B 16 ETA HN2 : B 16 ETA N : B 15 TRP C :(H bumps) USER MOD NoAdj-H: B 16 ETA HN1 : B 16 ETA N : B 15 TRP C :(H bumps) USER MOD Single : A 16 ETA O : rot 180:sc= -0.946 USER MOD Single : B 16 ETA O : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C FVA A 1 14.858 2.782 -1.912 1.00 0.00 C HETATM 2 N FVA A 1 15.014 4.274 -3.870 1.00 0.00 N HETATM 3 O FVA A 1 15.709 2.353 -1.160 1.00 0.00 O HETATM 4 CA FVA A 1 15.098 2.855 -3.421 1.00 0.00 C HETATM 5 CB FVA A 1 16.486 2.298 -3.742 1.00 0.00 C HETATM 6 CG1 FVA A 1 16.593 2.028 -5.244 1.00 0.00 C HETATM 7 CG2 FVA A 1 17.552 3.317 -3.332 1.00 0.00 C HETATM 14 O1 FVA A 1 13.397 4.423 -5.334 1.00 0.00 O HETATM 16 CN FVA A 1 14.584 4.318 -5.101 1.00 0.00 C HETATM 0 HG23 FVA A 1 17.398 4.246 -3.881 1.00 0.00 H new HETATM 0 HG22 FVA A 1 17.477 3.511 -2.262 1.00 0.00 H new HETATM 0 HG21 FVA A 1 18.541 2.921 -3.561 1.00 0.00 H new HETATM 0 HG13 FVA A 1 15.834 1.303 -5.538 1.00 0.00 H new HETATM 0 HG12 FVA A 1 16.439 2.957 -5.793 1.00 0.00 H new HETATM 0 HG11 FVA A 1 17.582 1.631 -5.473 1.00 0.00 H new HETATM 0 HN FVA A 1 15.295 4.260 -5.925 1.00 0.00 H new HETATM 0 HB FVA A 1 16.640 1.369 -3.193 1.00 0.00 H new HETATM 0 HA FVA A 1 14.341 2.266 -3.939 1.00 0.00 H new HETATM 0 H FVA A 1 15.256 5.086 -3.302 1.00 0.00 H new ATOM 20 N GLY A 2 13.703 3.196 -1.464 1.00 0.00 N ATOM 21 CA GLY A 2 13.408 3.145 -0.004 1.00 0.00 C ATOM 22 C GLY A 2 13.464 1.691 0.464 1.00 0.00 C ATOM 23 O GLY A 2 14.396 0.971 0.166 1.00 0.00 O ATOM 0 H GLY A 2 12.952 3.567 -2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 2 14.131 3.746 0.547 1.00 0.00 H new ATOM 0 HA3 GLY A 2 12.423 3.567 0.196 1.00 0.00 H new ATOM 27 N ALA A 3 12.479 1.242 1.193 1.00 0.00 N ATOM 28 CA ALA A 3 12.507 -0.170 1.658 1.00 0.00 C ATOM 29 C ALA A 3 11.101 -0.776 1.615 1.00 0.00 C ATOM 30 O ALA A 3 10.106 -0.079 1.549 1.00 0.00 O ATOM 31 CB ALA A 3 13.042 -0.233 3.090 1.00 0.00 C ATOM 0 H ALA A 3 11.666 1.786 1.483 1.00 0.00 H new ATOM 0 HA ALA A 3 13.160 -0.740 0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 3 13.061 -1.270 3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 3 14.052 0.176 3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.395 0.350 3.746 1.00 0.00 H new HETATM 37 N DLE A 4 11.025 -2.077 1.672 1.00 0.00 N HETATM 38 CA DLE A 4 9.706 -2.763 1.658 1.00 0.00 C HETATM 39 CB DLE A 4 9.759 -3.915 2.649 1.00 0.00 C HETATM 40 CG DLE A 4 9.915 -3.350 4.055 1.00 0.00 C HETATM 41 CD1 DLE A 4 9.688 -4.457 5.085 1.00 0.00 C HETATM 42 CD2 DLE A 4 11.324 -2.783 4.215 1.00 0.00 C HETATM 43 C DLE A 4 9.411 -3.323 0.264 1.00 0.00 C HETATM 44 O DLE A 4 10.145 -4.139 -0.254 1.00 0.00 O HETATM 0 HD23 DLE A 4 12.055 -3.576 4.056 1.00 0.00 H new HETATM 0 HD22 DLE A 4 11.483 -1.991 3.483 1.00 0.00 H new HETATM 0 HD21 DLE A 4 11.441 -2.377 5.220 1.00 0.00 H new HETATM 0 HD13 DLE A 4 8.683 -4.862 4.969 1.00 0.00 H new HETATM 0 HD12 DLE A 4 10.419 -5.251 4.933 1.00 0.00 H new HETATM 0 HD11 DLE A 4 9.801 -4.048 6.089 1.00 0.00 H new HETATM 0 HG DLE A 4 9.181 -2.560 4.213 1.00 0.00 H new HETATM 0 HB3 DLE A 4 8.850 -4.512 2.582 1.00 0.00 H new HETATM 0 HB2 DLE A 4 10.593 -4.576 2.414 1.00 0.00 H new HETATM 0 HA DLE A 4 8.924 -2.053 1.926 1.00 0.00 H new HETATM 0 H DLE A 4 11.768 -2.412 2.286 1.00 0.00 H new ATOM 56 N ALA A 5 8.335 -2.908 -0.337 1.00 0.00 N ATOM 57 CA ALA A 5 7.988 -3.428 -1.690 1.00 0.00 C ATOM 58 C ALA A 5 6.767 -2.679 -2.221 1.00 0.00 C ATOM 59 O ALA A 5 5.713 -3.249 -2.420 1.00 0.00 O ATOM 60 CB ALA A 5 7.662 -4.920 -1.595 1.00 0.00 C ATOM 0 H ALA A 5 7.678 -2.230 0.049 1.00 0.00 H new ATOM 0 HA ALA A 5 8.832 -3.281 -2.364 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.408 -5.301 -2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.529 -5.458 -1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.817 -5.066 -0.922 1.00 0.00 H new HETATM 66 N DVA A 6 6.899 -1.405 -2.444 1.00 0.00 N HETATM 67 CA DVA A 6 5.743 -0.615 -2.952 1.00 0.00 C HETATM 68 CB DVA A 6 5.990 -0.223 -4.403 1.00 0.00 C HETATM 69 CG1 DVA A 6 6.796 -1.318 -5.105 1.00 0.00 C HETATM 70 CG2 DVA A 6 4.646 -0.039 -5.117 1.00 0.00 C HETATM 71 C DVA A 6 5.604 0.651 -2.100 1.00 0.00 C HETATM 72 O DVA A 6 6.541 1.411 -1.965 1.00 0.00 O HETATM 0 HG23 DVA A 6 4.085 -0.973 -5.083 1.00 0.00 H new HETATM 0 HG22 DVA A 6 4.075 0.745 -4.621 1.00 0.00 H new HETATM 0 HG21 DVA A 6 4.821 0.242 -6.156 1.00 0.00 H new HETATM 0 HG13 DVA A 6 7.753 -1.447 -4.599 1.00 0.00 H new HETATM 0 HG12 DVA A 6 6.240 -2.255 -5.075 1.00 0.00 H new HETATM 0 HG11 DVA A 6 6.970 -1.033 -6.143 1.00 0.00 H new HETATM 0 HB DVA A 6 6.551 0.711 -4.434 1.00 0.00 H new HETATM 0 HA DVA A 6 4.832 -1.210 -2.892 1.00 0.00 H new ATOM 82 N VAL A 7 4.457 0.898 -1.516 1.00 0.00 N ATOM 83 CA VAL A 7 4.310 2.117 -0.677 1.00 0.00 C ATOM 84 C VAL A 7 3.089 2.001 0.243 1.00 0.00 C ATOM 85 O VAL A 7 2.221 2.851 0.252 1.00 0.00 O ATOM 86 CB VAL A 7 4.162 3.372 -1.549 1.00 0.00 C ATOM 87 CG1 VAL A 7 4.968 4.515 -0.933 1.00 0.00 C ATOM 88 CG2 VAL A 7 4.669 3.104 -2.970 1.00 0.00 C ATOM 0 H VAL A 7 3.626 0.311 -1.586 1.00 0.00 H new ATOM 0 HA VAL A 7 5.212 2.206 -0.072 1.00 0.00 H new ATOM 0 HB VAL A 7 3.107 3.642 -1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.864 5.407 -1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.596 4.723 0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.019 4.231 -0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.556 4.005 -3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.721 2.822 -2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.091 2.294 -3.416 1.00 0.00 H new HETATM 98 N DVA A 8 3.054 0.988 1.055 1.00 0.00 N HETATM 99 CA DVA A 8 1.935 0.829 2.035 1.00 0.00 C HETATM 100 CB DVA A 8 2.500 1.192 3.396 1.00 0.00 C HETATM 101 CG1 DVA A 8 2.904 2.662 3.401 1.00 0.00 C HETATM 102 CG2 DVA A 8 1.464 0.922 4.486 1.00 0.00 C HETATM 103 C DVA A 8 1.443 -0.622 2.113 1.00 0.00 C HETATM 104 O DVA A 8 2.189 -1.511 2.422 1.00 0.00 O HETATM 0 HG23 DVA A 8 0.573 1.522 4.298 1.00 0.00 H new HETATM 0 HG22 DVA A 8 1.197 -0.135 4.481 1.00 0.00 H new HETATM 0 HG21 DVA A 8 1.881 1.186 5.458 1.00 0.00 H new HETATM 0 HG13 DVA A 8 3.661 2.834 2.635 1.00 0.00 H new HETATM 0 HG12 DVA A 8 2.031 3.280 3.193 1.00 0.00 H new HETATM 0 HG11 DVA A 8 3.310 2.924 4.378 1.00 0.00 H new HETATM 0 HB DVA A 8 3.378 0.579 3.597 1.00 0.00 H new HETATM 0 HA DVA A 8 1.098 1.457 1.729 1.00 0.00 H new ATOM 114 N TRP A 9 0.187 -0.875 1.885 1.00 0.00 N ATOM 115 CA TRP A 9 -0.299 -2.281 2.002 1.00 0.00 C ATOM 116 C TRP A 9 -1.496 -2.488 1.082 1.00 0.00 C ATOM 117 O TRP A 9 -2.621 -2.273 1.470 1.00 0.00 O ATOM 118 CB TRP A 9 -0.747 -2.548 3.443 1.00 0.00 C ATOM 119 CG TRP A 9 -0.487 -3.974 3.801 1.00 0.00 C ATOM 120 CD1 TRP A 9 -1.448 -4.883 4.060 1.00 0.00 C ATOM 121 CD2 TRP A 9 0.785 -4.669 3.950 1.00 0.00 C ATOM 122 NE1 TRP A 9 -0.853 -6.096 4.355 1.00 0.00 N ATOM 123 CE2 TRP A 9 0.524 -6.015 4.302 1.00 0.00 C ATOM 124 CE3 TRP A 9 2.127 -4.270 3.815 1.00 0.00 C ATOM 125 CZ2 TRP A 9 1.555 -6.931 4.511 1.00 0.00 C ATOM 126 CZ3 TRP A 9 3.168 -5.189 4.027 1.00 0.00 C ATOM 127 CH2 TRP A 9 2.883 -6.516 4.373 1.00 0.00 C ATOM 0 H TRP A 9 -0.517 -0.184 1.626 1.00 0.00 H new ATOM 0 HA TRP A 9 0.508 -2.959 1.725 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -0.212 -1.889 4.127 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -1.809 -2.325 3.550 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -2.511 -4.694 4.040 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -1.368 -6.946 4.584 1.00 0.00 H new ATOM 0 HE3 TRP A 9 2.359 -3.250 3.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 1.329 -7.953 4.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 4.195 -4.870 3.923 1.00 0.00 H new ATOM 0 HH2 TRP A 9 3.688 -7.218 4.533 1.00 0.00 H new HETATM 138 N DLE A 10 -1.279 -2.894 -0.131 1.00 0.00 N HETATM 139 CA DLE A 10 -2.437 -3.092 -1.046 1.00 0.00 C HETATM 140 CB DLE A 10 -2.342 -4.444 -1.774 1.00 0.00 C HETATM 141 CG DLE A 10 -0.919 -5.006 -1.701 1.00 0.00 C HETATM 142 CD1 DLE A 10 -0.950 -6.502 -2.017 1.00 0.00 C HETATM 143 CD2 DLE A 10 -0.029 -4.297 -2.716 1.00 0.00 C HETATM 144 C DLE A 10 -2.493 -1.938 -2.045 1.00 0.00 C HETATM 145 O DLE A 10 -1.581 -1.716 -2.816 1.00 0.00 O HETATM 0 HD23 DLE A 10 -0.426 -4.452 -3.719 1.00 0.00 H new HETATM 0 HD22 DLE A 10 -0.006 -3.230 -2.496 1.00 0.00 H new HETATM 0 HD21 DLE A 10 0.982 -4.701 -2.659 1.00 0.00 H new HETATM 0 HD13 DLE A 10 -1.582 -7.014 -1.292 1.00 0.00 H new HETATM 0 HD12 DLE A 10 -1.351 -6.654 -3.019 1.00 0.00 H new HETATM 0 HD11 DLE A 10 0.061 -6.906 -1.966 1.00 0.00 H new HETATM 0 HG DLE A 10 -0.521 -4.847 -0.699 1.00 0.00 H new HETATM 0 HB3 DLE A 10 -3.040 -5.152 -1.327 1.00 0.00 H new HETATM 0 HB2 DLE A 10 -2.636 -4.322 -2.816 1.00 0.00 H new HETATM 0 HA DLE A 10 -3.356 -3.103 -0.459 1.00 0.00 H new HETATM 0 H DLE A 10 -0.559 -3.613 -0.056 1.00 0.00 H new ATOM 157 N TRP A 11 -3.557 -1.184 -2.011 1.00 0.00 N ATOM 158 CA TRP A 11 -3.688 -0.023 -2.920 1.00 0.00 C ATOM 159 C TRP A 11 -5.043 0.637 -2.678 1.00 0.00 C ATOM 160 O TRP A 11 -6.086 0.071 -2.939 1.00 0.00 O ATOM 161 CB TRP A 11 -3.571 -0.460 -4.375 1.00 0.00 C ATOM 162 CG TRP A 11 -3.312 0.754 -5.203 1.00 0.00 C ATOM 163 CD1 TRP A 11 -4.207 1.734 -5.426 1.00 0.00 C ATOM 164 CD2 TRP A 11 -2.098 1.146 -5.896 1.00 0.00 C ATOM 165 NE1 TRP A 11 -3.628 2.698 -6.230 1.00 0.00 N ATOM 166 CE2 TRP A 11 -2.327 2.379 -6.546 1.00 0.00 C ATOM 167 CE3 TRP A 11 -0.840 0.552 -6.025 1.00 0.00 C ATOM 168 CZ2 TRP A 11 -1.338 3.003 -7.301 1.00 0.00 C ATOM 169 CZ3 TRP A 11 0.167 1.173 -6.784 1.00 0.00 C ATOM 170 CH2 TRP A 11 -0.083 2.398 -7.423 1.00 0.00 C ATOM 0 H TRP A 11 -4.348 -1.329 -1.383 1.00 0.00 H new ATOM 0 HA TRP A 11 -2.886 0.686 -2.717 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -2.762 -1.181 -4.492 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -4.487 -0.954 -4.699 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -5.215 1.763 -5.039 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.106 3.541 -6.549 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.640 -0.391 -5.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -1.538 3.946 -7.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.137 0.706 -6.876 1.00 0.00 H new ATOM 0 HH2 TRP A 11 0.692 2.872 -8.007 1.00 0.00 H new HETATM 181 N DLE A 12 -5.023 1.828 -2.168 1.00 0.00 N HETATM 182 CA DLE A 12 -6.294 2.557 -1.879 1.00 0.00 C HETATM 183 CB DLE A 12 -6.236 3.980 -2.458 1.00 0.00 C HETATM 184 CG DLE A 12 -5.386 4.015 -3.733 1.00 0.00 C HETATM 185 CD1 DLE A 12 -6.287 3.846 -4.957 1.00 0.00 C HETATM 186 CD2 DLE A 12 -4.664 5.362 -3.822 1.00 0.00 C HETATM 187 C DLE A 12 -6.477 2.644 -0.361 1.00 0.00 C HETATM 188 O DLE A 12 -5.605 2.270 0.398 1.00 0.00 O HETATM 0 HD23 DLE A 12 -5.398 6.167 -3.851 1.00 0.00 H new HETATM 0 HD22 DLE A 12 -4.021 5.488 -2.951 1.00 0.00 H new HETATM 0 HD21 DLE A 12 -4.058 5.391 -4.728 1.00 0.00 H new HETATM 0 HD13 DLE A 12 -6.808 2.891 -4.896 1.00 0.00 H new HETATM 0 HD12 DLE A 12 -7.016 4.656 -4.987 1.00 0.00 H new HETATM 0 HD11 DLE A 12 -5.680 3.871 -5.862 1.00 0.00 H new HETATM 0 HG DLE A 12 -4.657 3.205 -3.704 1.00 0.00 H new HETATM 0 HB3 DLE A 12 -7.245 4.329 -2.678 1.00 0.00 H new HETATM 0 HB2 DLE A 12 -5.817 4.662 -1.718 1.00 0.00 H new HETATM 0 HA DLE A 12 -7.127 2.022 -2.335 1.00 0.00 H new ATOM 200 N TRP A 13 -7.596 3.146 0.093 1.00 0.00 N ATOM 201 CA TRP A 13 -7.811 3.262 1.566 1.00 0.00 C ATOM 202 C TRP A 13 -9.065 2.489 1.984 1.00 0.00 C ATOM 203 O TRP A 13 -10.130 2.661 1.425 1.00 0.00 O ATOM 204 CB TRP A 13 -7.984 4.736 1.939 1.00 0.00 C ATOM 205 CG TRP A 13 -7.746 4.904 3.405 1.00 0.00 C ATOM 206 CD1 TRP A 13 -8.632 5.430 4.281 1.00 0.00 C ATOM 207 CD2 TRP A 13 -6.563 4.552 4.182 1.00 0.00 C ATOM 208 NE1 TRP A 13 -8.070 5.424 5.545 1.00 0.00 N ATOM 209 CE2 TRP A 13 -6.796 4.893 5.536 1.00 0.00 C ATOM 210 CE3 TRP A 13 -5.325 3.977 3.845 1.00 0.00 C ATOM 211 CZ2 TRP A 13 -5.833 4.670 6.520 1.00 0.00 C ATOM 212 CZ3 TRP A 13 -4.354 3.751 4.834 1.00 0.00 C ATOM 213 CH2 TRP A 13 -4.607 4.098 6.169 1.00 0.00 C ATOM 0 H TRP A 13 -8.366 3.479 -0.488 1.00 0.00 H new ATOM 0 HA TRP A 13 -6.946 2.844 2.082 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.285 5.351 1.372 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -8.988 5.073 1.681 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -9.618 5.795 4.034 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -8.540 5.770 6.382 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.120 3.708 2.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.033 4.938 7.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -3.407 3.307 4.565 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -3.856 3.923 6.925 1.00 0.00 H new HETATM 224 N DLE A 14 -8.946 1.647 2.975 1.00 0.00 N HETATM 225 CA DLE A 14 -10.127 0.868 3.446 1.00 0.00 C HETATM 226 CB DLE A 14 -9.711 -0.030 4.614 1.00 0.00 C HETATM 227 CG DLE A 14 -9.373 0.835 5.830 1.00 0.00 C HETATM 228 CD1 DLE A 14 -10.492 1.850 6.064 1.00 0.00 C HETATM 229 CD2 DLE A 14 -9.230 -0.058 7.065 1.00 0.00 C HETATM 230 C DLE A 14 -10.666 0.002 2.307 1.00 0.00 C HETATM 231 O DLE A 14 -10.081 -0.086 1.247 1.00 0.00 O HETATM 0 HD23 DLE A 14 -10.167 -0.586 7.243 1.00 0.00 H new HETATM 0 HD22 DLE A 14 -8.432 -0.782 6.900 1.00 0.00 H new HETATM 0 HD21 DLE A 14 -8.989 0.557 7.932 1.00 0.00 H new HETATM 0 HD13 DLE A 14 -10.596 2.486 5.185 1.00 0.00 H new HETATM 0 HD12 DLE A 14 -11.429 1.323 6.244 1.00 0.00 H new HETATM 0 HD11 DLE A 14 -10.250 2.465 6.930 1.00 0.00 H new HETATM 0 HG DLE A 14 -8.437 1.363 5.650 1.00 0.00 H new HETATM 0 HB3 DLE A 14 -10.517 -0.722 4.859 1.00 0.00 H new HETATM 0 HB2 DLE A 14 -8.848 -0.633 4.333 1.00 0.00 H new HETATM 0 HA DLE A 14 -10.905 1.558 3.772 1.00 0.00 H new HETATM 0 H DLE A 14 -8.041 1.527 3.430 1.00 0.00 H new ATOM 243 N TRP A 15 -11.784 -0.638 2.523 1.00 0.00 N ATOM 244 CA TRP A 15 -12.368 -1.500 1.459 1.00 0.00 C ATOM 245 C TRP A 15 -13.285 -0.660 0.567 1.00 0.00 C ATOM 246 O TRP A 15 -13.792 0.367 0.973 1.00 0.00 O ATOM 247 CB TRP A 15 -13.177 -2.628 2.103 1.00 0.00 C ATOM 248 CG TRP A 15 -12.492 -3.934 1.856 1.00 0.00 C ATOM 249 CD1 TRP A 15 -12.811 -4.805 0.871 1.00 0.00 C ATOM 250 CD2 TRP A 15 -11.379 -4.529 2.584 1.00 0.00 C ATOM 251 NE1 TRP A 15 -11.965 -5.896 0.948 1.00 0.00 N ATOM 252 CE2 TRP A 15 -11.066 -5.774 1.988 1.00 0.00 C ATOM 253 CE3 TRP A 15 -10.619 -4.116 3.693 1.00 0.00 C ATOM 254 CZ2 TRP A 15 -10.036 -6.579 2.475 1.00 0.00 C ATOM 255 CZ3 TRP A 15 -9.581 -4.923 4.186 1.00 0.00 C ATOM 256 CH2 TRP A 15 -9.290 -6.153 3.578 1.00 0.00 C ATOM 0 H TRP A 15 -12.317 -0.600 3.392 1.00 0.00 H new ATOM 0 HA TRP A 15 -11.566 -1.926 0.856 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -13.276 -2.454 3.174 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -14.185 -2.650 1.689 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -13.598 -4.670 0.144 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -12.001 -6.694 0.313 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -10.835 -3.171 4.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -9.816 -7.525 2.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -9.004 -4.595 5.038 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -8.491 -6.770 3.961 1.00 0.00 H new HETATM 267 CA ETA A 16 -14.388 -0.315 -1.563 1.00 0.00 C HETATM 268 N ETA A 16 -13.503 -1.090 -0.647 1.00 0.00 N HETATM 269 CB ETA A 16 -14.098 -0.713 -3.010 1.00 0.00 C HETATM 270 O ETA A 16 -13.269 0.273 -3.612 1.00 0.00 O HETATM 0 HO ETA A 16 -13.080 0.019 -4.540 1.00 0.00 H new HETATM 0 HN1 ETA A 16 -12.837 -1.762 -1.029 1.00 0.00 H new HETATM 0 HB2 ETA A 16 -13.606 -1.685 -3.040 1.00 0.00 H new HETATM 0 HB1 ETA A 16 -15.030 -0.810 -3.566 1.00 0.00 H new HETATM 0 HA2 ETA A 16 -15.434 -0.508 -1.324 1.00 0.00 H new HETATM 0 HA1 ETA A 16 -14.222 0.754 -1.428 1.00 0.00 H new TER 277 ETA A 16 HETATM 278 C FVA B 1 14.211 -4.460 2.067 1.00 0.00 C HETATM 279 N FVA B 1 13.345 -5.725 4.001 1.00 0.00 N HETATM 280 O FVA B 1 15.192 -4.076 1.463 1.00 0.00 O HETATM 281 CA FVA B 1 14.222 -4.593 3.591 1.00 0.00 C HETATM 282 CB FVA B 1 15.652 -4.857 4.068 1.00 0.00 C HETATM 283 CG1 FVA B 1 16.193 -6.116 3.389 1.00 0.00 C HETATM 284 CG2 FVA B 1 16.538 -3.663 3.706 1.00 0.00 C HETATM 291 O1 FVA B 1 14.167 -6.409 5.908 1.00 0.00 O HETATM 293 CN FVA B 1 13.309 -5.797 5.304 1.00 0.00 C HETATM 0 HG23 FVA B 1 16.535 -3.523 2.625 1.00 0.00 H new HETATM 0 HG22 FVA B 1 16.154 -2.765 4.189 1.00 0.00 H new HETATM 0 HG21 FVA B 1 17.557 -3.850 4.045 1.00 0.00 H new HETATM 0 HG13 FVA B 1 15.562 -6.967 3.645 1.00 0.00 H new HETATM 0 HG12 FVA B 1 16.191 -5.976 2.308 1.00 0.00 H new HETATM 0 HG11 FVA B 1 17.211 -6.304 3.729 1.00 0.00 H new HETATM 0 HN FVA B 1 12.505 -5.306 5.852 1.00 0.00 H new HETATM 0 HB FVA B 1 15.654 -4.998 5.149 1.00 0.00 H new HETATM 0 HA FVA B 1 13.853 -3.670 4.038 1.00 0.00 H new HETATM 0 H FVA B 1 12.849 -6.347 3.363 1.00 0.00 H new ATOM 297 N GLY B 2 13.108 -4.769 1.440 1.00 0.00 N ATOM 298 CA GLY B 2 13.036 -4.650 -0.045 1.00 0.00 C ATOM 299 C GLY B 2 13.277 -3.192 -0.435 1.00 0.00 C ATOM 300 O GLY B 2 14.276 -2.603 -0.074 1.00 0.00 O ATOM 0 H GLY B 2 12.255 -5.098 1.891 1.00 0.00 H new ATOM 0 HA2 GLY B 2 13.782 -5.294 -0.512 1.00 0.00 H new ATOM 0 HA3 GLY B 2 12.061 -4.980 -0.403 1.00 0.00 H new ATOM 304 N ALA B 3 12.375 -2.591 -1.163 1.00 0.00 N ATOM 305 CA ALA B 3 12.587 -1.172 -1.547 1.00 0.00 C ATOM 306 C ALA B 3 11.249 -0.437 -1.662 1.00 0.00 C ATOM 307 O ALA B 3 10.202 -1.032 -1.848 1.00 0.00 O ATOM 308 CB ALA B 3 13.322 -1.103 -2.888 1.00 0.00 C ATOM 0 H ALA B 3 11.513 -3.017 -1.503 1.00 0.00 H new ATOM 0 HA ALA B 3 13.186 -0.692 -0.774 1.00 0.00 H new ATOM 0 HB1 ALA B 3 13.475 -0.060 -3.166 1.00 0.00 H new ATOM 0 HB2 ALA B 3 14.288 -1.601 -2.800 1.00 0.00 H new ATOM 0 HB3 ALA B 3 12.727 -1.599 -3.655 1.00 0.00 H new HETATM 314 N DLE B 4 11.290 0.864 -1.569 1.00 0.00 N HETATM 315 CA DLE B 4 10.046 1.672 -1.688 1.00 0.00 C HETATM 316 CB DLE B 4 10.306 2.819 -2.661 1.00 0.00 C HETATM 317 CG DLE B 4 10.480 2.317 -4.107 1.00 0.00 C HETATM 318 CD1 DLE B 4 10.697 0.798 -4.165 1.00 0.00 C HETATM 319 CD2 DLE B 4 9.233 2.682 -4.908 1.00 0.00 C HETATM 320 C DLE B 4 9.659 2.258 -0.327 1.00 0.00 C HETATM 321 O DLE B 4 10.385 3.036 0.258 1.00 0.00 O HETATM 0 HD23 DLE B 4 8.360 2.211 -4.456 1.00 0.00 H new HETATM 0 HD22 DLE B 4 9.103 3.764 -4.906 1.00 0.00 H new HETATM 0 HD21 DLE B 4 9.344 2.332 -5.934 1.00 0.00 H new HETATM 0 HD13 DLE B 4 11.594 0.537 -3.604 1.00 0.00 H new HETATM 0 HD12 DLE B 4 9.836 0.291 -3.730 1.00 0.00 H new HETATM 0 HD11 DLE B 4 10.815 0.487 -5.203 1.00 0.00 H new HETATM 0 HG DLE B 4 11.365 2.793 -4.529 1.00 0.00 H new HETATM 0 HB3 DLE B 4 9.477 3.526 -2.619 1.00 0.00 H new HETATM 0 HB2 DLE B 4 11.201 3.360 -2.354 1.00 0.00 H new HETATM 0 HA DLE B 4 9.235 1.036 -2.044 1.00 0.00 H new HETATM 0 H DLE B 4 12.121 1.127 -2.098 1.00 0.00 H new ATOM 333 N ALA B 5 8.512 1.898 0.166 1.00 0.00 N ATOM 334 CA ALA B 5 8.046 2.429 1.478 1.00 0.00 C ATOM 335 C ALA B 5 6.764 1.700 1.857 1.00 0.00 C ATOM 336 O ALA B 5 5.702 2.283 1.945 1.00 0.00 O ATOM 337 CB ALA B 5 7.757 3.924 1.354 1.00 0.00 C ATOM 0 H ALA B 5 7.867 1.251 -0.288 1.00 0.00 H new ATOM 0 HA ALA B 5 8.812 2.276 2.238 1.00 0.00 H new ATOM 0 HB1 ALA B 5 7.416 4.310 2.315 1.00 0.00 H new ATOM 0 HB2 ALA B 5 8.666 4.447 1.055 1.00 0.00 H new ATOM 0 HB3 ALA B 5 6.983 4.084 0.604 1.00 0.00 H new HETATM 343 N DVA B 6 6.845 0.419 2.051 1.00 0.00 N HETATM 344 CA DVA B 6 5.623 -0.352 2.385 1.00 0.00 C HETATM 345 CB DVA B 6 5.837 -1.177 3.654 1.00 0.00 C HETATM 346 CG1 DVA B 6 6.990 -0.592 4.477 1.00 0.00 C HETATM 347 CG2 DVA B 6 4.553 -1.159 4.493 1.00 0.00 C HETATM 348 C DVA B 6 5.331 -1.283 1.209 1.00 0.00 C HETATM 349 O DVA B 6 5.904 -1.135 0.148 1.00 0.00 O HETATM 0 HG23 DVA B 6 4.309 -0.131 4.763 1.00 0.00 H new HETATM 0 HG22 DVA B 6 3.734 -1.586 3.914 1.00 0.00 H new HETATM 0 HG21 DVA B 6 4.702 -1.747 5.399 1.00 0.00 H new HETATM 0 HG13 DVA B 6 7.904 -0.606 3.884 1.00 0.00 H new HETATM 0 HG12 DVA B 6 6.754 0.435 4.755 1.00 0.00 H new HETATM 0 HG11 DVA B 6 7.133 -1.188 5.378 1.00 0.00 H new HETATM 0 HB DVA B 6 6.084 -2.201 3.375 1.00 0.00 H new HETATM 0 HA DVA B 6 4.789 0.327 2.563 1.00 0.00 H new ATOM 359 N VAL B 7 4.477 -2.252 1.369 1.00 0.00 N ATOM 360 CA VAL B 7 4.226 -3.170 0.231 1.00 0.00 C ATOM 361 C VAL B 7 2.945 -2.829 -0.551 1.00 0.00 C ATOM 362 O VAL B 7 1.947 -3.517 -0.465 1.00 0.00 O ATOM 363 CB VAL B 7 4.139 -4.607 0.744 1.00 0.00 C ATOM 364 CG1 VAL B 7 4.225 -5.575 -0.436 1.00 0.00 C ATOM 365 CG2 VAL B 7 5.295 -4.875 1.710 1.00 0.00 C ATOM 0 H VAL B 7 3.952 -2.445 2.222 1.00 0.00 H new ATOM 0 HA VAL B 7 5.062 -3.054 -0.459 1.00 0.00 H new ATOM 0 HB VAL B 7 3.192 -4.751 1.263 1.00 0.00 H new ATOM 0 HG11 VAL B 7 4.163 -6.600 -0.071 1.00 0.00 H new ATOM 0 HG12 VAL B 7 3.401 -5.384 -1.124 1.00 0.00 H new ATOM 0 HG13 VAL B 7 5.172 -5.432 -0.956 1.00 0.00 H new ATOM 0 HG21 VAL B 7 5.233 -5.900 2.076 1.00 0.00 H new ATOM 0 HG22 VAL B 7 6.243 -4.731 1.192 1.00 0.00 H new ATOM 0 HG23 VAL B 7 5.233 -4.185 2.551 1.00 0.00 H new HETATM 375 N DVA B 8 3.015 -1.832 -1.388 1.00 0.00 N HETATM 376 CA DVA B 8 1.855 -1.494 -2.283 1.00 0.00 C HETATM 377 CB DVA B 8 2.290 -1.882 -3.690 1.00 0.00 C HETATM 378 CG1 DVA B 8 2.490 -3.394 -3.776 1.00 0.00 C HETATM 379 CG2 DVA B 8 1.244 -1.435 -4.706 1.00 0.00 C HETATM 380 C DVA B 8 1.508 0.009 -2.306 1.00 0.00 C HETATM 381 O DVA B 8 2.195 0.797 -2.927 1.00 0.00 O HETATM 0 HG23 DVA B 8 0.291 -1.915 -4.482 1.00 0.00 H new HETATM 0 HG22 DVA B 8 1.126 -0.353 -4.655 1.00 0.00 H new HETATM 0 HG21 DVA B 8 1.566 -1.718 -5.708 1.00 0.00 H new HETATM 0 HG13 DVA B 8 3.258 -3.700 -3.066 1.00 0.00 H new HETATM 0 HG12 DVA B 8 1.554 -3.899 -3.538 1.00 0.00 H new HETATM 0 HG11 DVA B 8 2.801 -3.663 -4.785 1.00 0.00 H new HETATM 0 HB DVA B 8 3.234 -1.386 -3.916 1.00 0.00 H new HETATM 0 HA DVA B 8 0.972 -2.019 -1.918 1.00 0.00 H new ATOM 391 N TRP B 9 0.419 0.415 -1.705 1.00 0.00 N ATOM 392 CA TRP B 9 0.050 1.859 -1.775 1.00 0.00 C ATOM 393 C TRP B 9 -1.108 2.160 -0.824 1.00 0.00 C ATOM 394 O TRP B 9 -2.250 1.960 -1.165 1.00 0.00 O ATOM 395 CB TRP B 9 -0.415 2.186 -3.199 1.00 0.00 C ATOM 396 CG TRP B 9 -0.526 3.662 -3.373 1.00 0.00 C ATOM 397 CD1 TRP B 9 -1.689 4.331 -3.489 1.00 0.00 C ATOM 398 CD2 TRP B 9 0.533 4.660 -3.464 1.00 0.00 C ATOM 399 NE1 TRP B 9 -1.420 5.679 -3.637 1.00 0.00 N ATOM 400 CE2 TRP B 9 -0.063 5.932 -3.629 1.00 0.00 C ATOM 401 CE3 TRP B 9 1.935 4.584 -3.416 1.00 0.00 C ATOM 402 CZ2 TRP B 9 0.707 7.090 -3.744 1.00 0.00 C ATOM 403 CZ3 TRP B 9 2.713 5.747 -3.531 1.00 0.00 C ATOM 404 CH2 TRP B 9 2.100 6.998 -3.694 1.00 0.00 C ATOM 0 H TRP B 9 -0.220 -0.180 -1.178 1.00 0.00 H new ATOM 0 HA TRP B 9 0.920 2.455 -1.498 1.00 0.00 H new ATOM 0 HB2 TRP B 9 0.290 1.778 -3.923 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -1.379 1.715 -3.393 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -2.673 3.886 -3.470 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -2.136 6.398 -3.739 1.00 0.00 H new ATOM 0 HE3 TRP B 9 2.417 3.626 -3.290 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 0.229 8.050 -3.871 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 3.790 5.678 -3.494 1.00 0.00 H new ATOM 0 HH2 TRP B 9 2.704 7.889 -3.781 1.00 0.00 H new HETATM 415 N DLE B 10 -0.846 2.643 0.355 1.00 0.00 N HETATM 416 CA DLE B 10 -1.982 2.948 1.274 1.00 0.00 C HETATM 417 CB DLE B 10 -1.789 4.302 1.979 1.00 0.00 C HETATM 418 CG DLE B 10 -0.327 4.753 1.924 1.00 0.00 C HETATM 419 CD1 DLE B 10 -0.254 6.258 2.192 1.00 0.00 C HETATM 420 CD2 DLE B 10 0.477 4.015 2.993 1.00 0.00 C HETATM 421 C DLE B 10 -2.137 1.831 2.303 1.00 0.00 C HETATM 422 O DLE B 10 -1.212 1.472 3.004 1.00 0.00 O HETATM 0 HD23 DLE B 10 0.066 4.239 3.977 1.00 0.00 H new HETATM 0 HD22 DLE B 10 0.422 2.941 2.813 1.00 0.00 H new HETATM 0 HD21 DLE B 10 1.518 4.337 2.953 1.00 0.00 H new HETATM 0 HD13 DLE B 10 -0.830 6.791 1.435 1.00 0.00 H new HETATM 0 HD12 DLE B 10 -0.666 6.472 3.178 1.00 0.00 H new HETATM 0 HD11 DLE B 10 0.785 6.584 2.154 1.00 0.00 H new HETATM 0 HG DLE B 10 0.085 4.531 0.940 1.00 0.00 H new HETATM 0 HB3 DLE B 10 -2.422 5.054 1.507 1.00 0.00 H new HETATM 0 HB2 DLE B 10 -2.109 4.223 3.018 1.00 0.00 H new HETATM 0 HA DLE B 10 -2.891 3.013 0.676 1.00 0.00 H new HETATM 0 H DLE B 10 -0.074 3.303 0.262 1.00 0.00 H new ATOM 434 N TRP B 11 -3.315 1.275 2.380 1.00 0.00 N ATOM 435 CA TRP B 11 -3.577 0.170 3.336 1.00 0.00 C ATOM 436 C TRP B 11 -5.040 -0.254 3.198 1.00 0.00 C ATOM 437 O TRP B 11 -5.945 0.438 3.620 1.00 0.00 O ATOM 438 CB TRP B 11 -3.303 0.630 4.765 1.00 0.00 C ATOM 439 CG TRP B 11 -3.328 -0.562 5.665 1.00 0.00 C ATOM 440 CD1 TRP B 11 -4.445 -1.201 6.065 1.00 0.00 C ATOM 441 CD2 TRP B 11 -2.211 -1.271 6.268 1.00 0.00 C ATOM 442 NE1 TRP B 11 -4.089 -2.255 6.887 1.00 0.00 N ATOM 443 CE2 TRP B 11 -2.722 -2.339 7.043 1.00 0.00 C ATOM 444 CE3 TRP B 11 -0.820 -1.091 6.222 1.00 0.00 C ATOM 445 CZ2 TRP B 11 -1.881 -3.199 7.747 1.00 0.00 C ATOM 446 CZ3 TRP B 11 0.033 -1.956 6.930 1.00 0.00 C ATOM 447 CH2 TRP B 11 -0.497 -3.007 7.692 1.00 0.00 C ATOM 0 H TRP B 11 -4.117 1.546 1.811 1.00 0.00 H new ATOM 0 HA TRP B 11 -2.920 -0.671 3.115 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -2.335 1.127 4.823 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -4.053 1.356 5.079 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -5.454 -0.934 5.789 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -4.756 -2.891 7.324 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -0.402 -0.283 5.639 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -2.295 -4.008 8.331 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 1.102 -1.810 6.887 1.00 0.00 H new ATOM 0 HH2 TRP B 11 0.163 -3.667 8.236 1.00 0.00 H new HETATM 458 N DLE B 12 -5.269 -1.381 2.593 1.00 0.00 N HETATM 459 CA DLE B 12 -6.663 -1.866 2.395 1.00 0.00 C HETATM 460 CB DLE B 12 -6.836 -3.249 3.038 1.00 0.00 C HETATM 461 CG DLE B 12 -6.012 -3.348 4.329 1.00 0.00 C HETATM 462 CD1 DLE B 12 -6.901 -3.042 5.534 1.00 0.00 C HETATM 463 CD2 DLE B 12 -5.454 -4.767 4.463 1.00 0.00 C HETATM 464 C DLE B 12 -6.925 -1.971 0.889 1.00 0.00 C HETATM 465 O DLE B 12 -6.016 -1.872 0.088 1.00 0.00 O HETATM 0 HD23 DLE B 12 -6.278 -5.480 4.500 1.00 0.00 H new HETATM 0 HD22 DLE B 12 -4.819 -4.991 3.606 1.00 0.00 H new HETATM 0 HD21 DLE B 12 -4.868 -4.842 5.379 1.00 0.00 H new HETATM 0 HD13 DLE B 12 -7.306 -2.034 5.441 1.00 0.00 H new HETATM 0 HD12 DLE B 12 -7.720 -3.760 5.573 1.00 0.00 H new HETATM 0 HD11 DLE B 12 -6.312 -3.113 6.448 1.00 0.00 H new HETATM 0 HG DLE B 12 -5.194 -2.629 4.291 1.00 0.00 H new HETATM 0 HB3 DLE B 12 -7.889 -3.426 3.257 1.00 0.00 H new HETATM 0 HB2 DLE B 12 -6.522 -4.024 2.339 1.00 0.00 H new HETATM 0 HA DLE B 12 -7.365 -1.173 2.859 1.00 0.00 H new ATOM 477 N TRP B 13 -8.151 -2.173 0.491 1.00 0.00 N ATOM 478 CA TRP B 13 -8.442 -2.285 -0.969 1.00 0.00 C ATOM 479 C TRP B 13 -9.497 -1.251 -1.369 1.00 0.00 C ATOM 480 O TRP B 13 -10.578 -1.208 -0.818 1.00 0.00 O ATOM 481 CB TRP B 13 -8.961 -3.689 -1.283 1.00 0.00 C ATOM 482 CG TRP B 13 -9.092 -3.848 -2.764 1.00 0.00 C ATOM 483 CD1 TRP B 13 -10.260 -4.000 -3.429 1.00 0.00 C ATOM 484 CD2 TRP B 13 -8.040 -3.870 -3.771 1.00 0.00 C ATOM 485 NE1 TRP B 13 -9.992 -4.115 -4.781 1.00 0.00 N ATOM 486 CE2 TRP B 13 -8.638 -4.041 -5.042 1.00 0.00 C ATOM 487 CE3 TRP B 13 -6.639 -3.760 -3.708 1.00 0.00 C ATOM 488 CZ2 TRP B 13 -7.874 -4.101 -6.208 1.00 0.00 C ATOM 489 CZ3 TRP B 13 -5.867 -3.819 -4.879 1.00 0.00 C ATOM 490 CH2 TRP B 13 -6.484 -3.989 -6.127 1.00 0.00 C ATOM 0 H TRP B 13 -8.959 -2.265 1.107 1.00 0.00 H new ATOM 0 HA TRP B 13 -7.526 -2.101 -1.531 1.00 0.00 H new ATOM 0 HB2 TRP B 13 -8.278 -4.439 -0.884 1.00 0.00 H new ATOM 0 HB3 TRP B 13 -9.926 -3.848 -0.802 1.00 0.00 H new ATOM 0 HD1 TRP B 13 -11.241 -4.027 -2.978 1.00 0.00 H new ATOM 0 HE1 TRP B 13 -10.707 -4.239 -5.498 1.00 0.00 H new ATOM 0 HE3 TRP B 13 -6.154 -3.629 -2.752 1.00 0.00 H new ATOM 0 HZ2 TRP B 13 -8.354 -4.233 -7.166 1.00 0.00 H new ATOM 0 HZ3 TRP B 13 -4.792 -3.733 -4.819 1.00 0.00 H new ATOM 0 HH2 TRP B 13 -5.885 -4.033 -7.025 1.00 0.00 H new HETATM 501 N DLE B 14 -9.195 -0.418 -2.327 1.00 0.00 N HETATM 502 CA DLE B 14 -10.185 0.607 -2.759 1.00 0.00 C HETATM 503 CB DLE B 14 -9.588 1.455 -3.884 1.00 0.00 C HETATM 504 CG DLE B 14 -8.968 0.538 -4.941 1.00 0.00 C HETATM 505 CD1 DLE B 14 -9.971 -0.553 -5.320 1.00 0.00 C HETATM 506 CD2 DLE B 14 -8.616 1.360 -6.182 1.00 0.00 C HETATM 507 C DLE B 14 -10.533 1.503 -1.569 1.00 0.00 C HETATM 508 O DLE B 14 -9.802 1.575 -0.602 1.00 0.00 O HETATM 0 HD23 DLE B 14 -9.520 1.819 -6.583 1.00 0.00 H new HETATM 0 HD22 DLE B 14 -7.903 2.139 -5.912 1.00 0.00 H new HETATM 0 HD21 DLE B 14 -8.174 0.709 -6.936 1.00 0.00 H new HETATM 0 HD13 DLE B 14 -10.224 -1.137 -4.435 1.00 0.00 H new HETATM 0 HD12 DLE B 14 -10.874 -0.093 -5.722 1.00 0.00 H new HETATM 0 HD11 DLE B 14 -9.530 -1.207 -6.073 1.00 0.00 H new HETATM 0 HG DLE B 14 -8.065 0.078 -4.540 1.00 0.00 H new HETATM 0 HB3 DLE B 14 -10.362 2.076 -4.335 1.00 0.00 H new HETATM 0 HB2 DLE B 14 -8.831 2.129 -3.483 1.00 0.00 H new HETATM 0 HA DLE B 14 -11.087 0.115 -3.122 1.00 0.00 H new HETATM 0 H DLE B 14 -8.281 -0.466 -2.777 1.00 0.00 H new ATOM 520 N TRP B 15 -11.647 2.181 -1.626 1.00 0.00 N ATOM 521 CA TRP B 15 -12.041 3.064 -0.491 1.00 0.00 C ATOM 522 C TRP B 15 -13.474 3.565 -0.705 1.00 0.00 C ATOM 523 O TRP B 15 -14.231 3.001 -1.471 1.00 0.00 O ATOM 524 CB TRP B 15 -11.068 4.251 -0.398 1.00 0.00 C ATOM 525 CG TRP B 15 -11.474 5.342 -1.341 1.00 0.00 C ATOM 526 CD1 TRP B 15 -12.128 6.470 -0.985 1.00 0.00 C ATOM 527 CD2 TRP B 15 -11.263 5.429 -2.780 1.00 0.00 C ATOM 528 NE1 TRP B 15 -12.335 7.243 -2.112 1.00 0.00 N ATOM 529 CE2 TRP B 15 -11.819 6.644 -3.244 1.00 0.00 C ATOM 530 CE3 TRP B 15 -10.649 4.580 -3.717 1.00 0.00 C ATOM 531 CZ2 TRP B 15 -11.769 7.003 -4.592 1.00 0.00 C ATOM 532 CZ3 TRP B 15 -10.596 4.938 -5.073 1.00 0.00 C ATOM 533 CH2 TRP B 15 -11.155 6.147 -5.511 1.00 0.00 C ATOM 0 H TRP B 15 -12.301 2.162 -2.409 1.00 0.00 H new ATOM 0 HA TRP B 15 -11.999 2.502 0.442 1.00 0.00 H new ATOM 0 HB2 TRP B 15 -11.049 4.634 0.622 1.00 0.00 H new ATOM 0 HB3 TRP B 15 -10.057 3.918 -0.632 1.00 0.00 H new ATOM 0 HD1 TRP B 15 -12.438 6.726 0.017 1.00 0.00 H new ATOM 0 HE1 TRP B 15 -12.811 8.145 -2.108 1.00 0.00 H new ATOM 0 HE3 TRP B 15 -10.215 3.646 -3.391 1.00 0.00 H new ATOM 0 HZ2 TRP B 15 -12.202 7.936 -4.923 1.00 0.00 H new ATOM 0 HZ3 TRP B 15 -10.121 4.278 -5.784 1.00 0.00 H new ATOM 0 HH2 TRP B 15 -11.111 6.416 -6.556 1.00 0.00 H new HETATM 544 CA ETA B 16 -15.231 5.155 -0.205 1.00 0.00 C HETATM 545 N ETA B 16 -13.851 4.620 -0.037 1.00 0.00 N HETATM 546 CB ETA B 16 -16.209 4.318 0.621 1.00 0.00 C HETATM 547 O ETA B 16 -17.360 5.097 0.915 1.00 0.00 O HETATM 0 HO ETA B 16 -17.990 4.563 1.443 1.00 0.00 H new HETATM 0 HB2 ETA B 16 -16.493 3.421 0.071 1.00 0.00 H new HETATM 0 HB1 ETA B 16 -15.733 3.988 1.544 1.00 0.00 H new HETATM 0 HA2 ETA B 16 -15.269 6.197 0.113 1.00 0.00 H new HETATM 0 HA1 ETA B 16 -15.515 5.132 -1.257 1.00 0.00 H new TER 554 ETA B 16