USER MOD reduce.3.24.130724 H: found=0, std=0, add=268, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 0 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 NoAdj-H: A 4 DLE H2 : A 4 DLE N : A 3 ALA C :(H bumps) USER MOD NoAdj-H: A 4 DLE H : 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 10 DLE H : 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: A 16 ETA HN1 : 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 4 DLE H : 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 10 DLE H : 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 -56:sc= 1.29 USER MOD Single : B 16 ETA O : rot -51:sc= 1.3 USER MOD ----------------------------------------------------------------- HETATM 1 C FVA A 1 -3.645 0.293 3.490 1.00 0.00 C HETATM 2 N FVA A 1 -2.419 -0.231 1.455 1.00 0.00 N HETATM 3 O FVA A 1 -4.083 -0.770 3.929 1.00 0.00 O HETATM 4 CA FVA A 1 -3.542 0.526 1.982 1.00 0.00 C HETATM 5 CB FVA A 1 -4.821 0.156 1.231 1.00 0.00 C HETATM 6 CG1 FVA A 1 -6.001 1.007 1.704 1.00 0.00 C HETATM 7 CG2 FVA A 1 -4.625 0.281 -0.282 1.00 0.00 C HETATM 8 O1 FVA A 1 -1.109 1.590 1.129 1.00 0.00 O HETATM 9 CN FVA A 1 -1.304 0.377 1.077 1.00 0.00 C HETATM 0 HG23 FVA A 1 -4.359 1.308 -0.531 1.00 0.00 H new HETATM 0 HG22 FVA A 1 -3.826 -0.388 -0.602 1.00 0.00 H new HETATM 0 HG21 FVA A 1 -5.550 0.012 -0.792 1.00 0.00 H new HETATM 0 HG13 FVA A 1 -6.163 0.845 2.770 1.00 0.00 H new HETATM 0 HG12 FVA A 1 -5.784 2.060 1.526 1.00 0.00 H new HETATM 0 HG11 FVA A 1 -6.898 0.723 1.154 1.00 0.00 H new HETATM 0 HN FVA A 1 -0.498 -0.246 0.690 1.00 0.00 H new HETATM 0 HB FVA A 1 -5.050 -0.886 1.454 1.00 0.00 H new HETATM 0 HA FVA A 1 -3.389 1.594 1.828 1.00 0.00 H new HETATM 0 H FVA A 1 -2.490 -1.245 1.375 1.00 0.00 H new ATOM 10 N GLY A 2 -3.234 1.302 4.243 1.00 0.00 N ATOM 11 CA GLY A 2 -3.276 1.221 5.693 1.00 0.00 C ATOM 12 C GLY A 2 -2.392 2.297 6.328 1.00 0.00 C ATOM 13 O GLY A 2 -2.843 3.419 6.556 1.00 0.00 O ATOM 0 H GLY A 2 -2.870 2.181 3.876 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.303 1.339 6.038 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.943 0.235 6.016 1.00 0.00 H new ATOM 14 N ALA A 3 -1.153 1.917 6.597 1.00 0.00 N ATOM 15 CA ALA A 3 -0.202 2.835 7.202 1.00 0.00 C ATOM 16 C ALA A 3 1.202 2.524 6.684 1.00 0.00 C ATOM 17 O ALA A 3 1.513 1.374 6.374 1.00 0.00 O ATOM 18 CB ALA A 3 -0.297 2.737 8.725 1.00 0.00 C ATOM 0 H ALA A 3 -0.784 0.985 6.407 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.433 3.864 6.926 1.00 0.00 H new ATOM 0 HB1 ALA A 3 0.416 3.425 9.179 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.306 2.997 9.044 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.069 1.719 9.039 1.00 0.00 H new HETATM 19 N DLE A 4 2.014 3.568 6.604 1.00 0.00 N HETATM 20 CA DLE A 4 3.380 3.419 6.129 1.00 0.00 C HETATM 21 CB DLE A 4 4.358 3.403 7.305 1.00 0.00 C HETATM 22 CG DLE A 4 5.793 3.222 6.807 1.00 0.00 C HETATM 23 CD1 DLE A 4 6.539 4.559 6.784 1.00 0.00 C HETATM 24 CD2 DLE A 4 6.532 2.167 7.632 1.00 0.00 C HETATM 25 C DLE A 4 3.678 4.510 5.098 1.00 0.00 C HETATM 26 O DLE A 4 3.452 5.691 5.356 1.00 0.00 O HETATM 0 HD23 DLE A 4 6.562 2.477 8.677 1.00 0.00 H new HETATM 0 HD22 DLE A 4 6.012 1.212 7.552 1.00 0.00 H new HETATM 0 HD21 DLE A 4 7.550 2.059 7.256 1.00 0.00 H new HETATM 0 HD13 DLE A 4 6.023 5.252 6.119 1.00 0.00 H new HETATM 0 HD12 DLE A 4 6.569 4.976 7.790 1.00 0.00 H new HETATM 0 HD11 DLE A 4 7.557 4.402 6.426 1.00 0.00 H new HETATM 0 HG DLE A 4 5.754 2.858 5.780 1.00 0.00 H new HETATM 0 HB3 DLE A 4 4.276 4.334 7.866 1.00 0.00 H new HETATM 0 HB2 DLE A 4 4.100 2.595 7.989 1.00 0.00 H new HETATM 0 HA DLE A 4 3.506 2.460 5.626 1.00 0.00 H new ATOM 27 N ALA A 5 4.180 4.074 3.952 1.00 0.00 N ATOM 28 CA ALA A 5 4.512 4.998 2.881 1.00 0.00 C ATOM 29 C ALA A 5 3.693 4.646 1.638 1.00 0.00 C ATOM 30 O ALA A 5 3.752 3.519 1.150 1.00 0.00 O ATOM 31 CB ALA A 5 6.018 4.956 2.617 1.00 0.00 C ATOM 0 H ALA A 5 4.365 3.093 3.742 1.00 0.00 H new ATOM 0 HA ALA A 5 4.260 6.020 3.165 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.266 5.649 1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.554 5.242 3.522 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.309 3.946 2.327 1.00 0.00 H new HETATM 32 N DVA A 6 2.946 5.631 1.161 1.00 0.00 N HETATM 33 CA DVA A 6 2.116 5.439 -0.017 1.00 0.00 C HETATM 34 CB DVA A 6 2.849 5.942 -1.262 1.00 0.00 C HETATM 35 CG1 DVA A 6 4.195 5.235 -1.429 1.00 0.00 C HETATM 36 CG2 DVA A 6 1.982 5.778 -2.511 1.00 0.00 C HETATM 37 C DVA A 6 0.765 6.125 0.200 1.00 0.00 C HETATM 38 O DVA A 6 0.653 7.341 0.057 1.00 0.00 O HETATM 0 HG23 DVA A 6 1.740 4.724 -2.650 1.00 0.00 H new HETATM 0 HG22 DVA A 6 1.061 6.350 -2.393 1.00 0.00 H new HETATM 0 HG21 DVA A 6 2.526 6.143 -3.382 1.00 0.00 H new HETATM 0 HG13 DVA A 6 4.818 5.427 -0.555 1.00 0.00 H new HETATM 0 HG12 DVA A 6 4.032 4.162 -1.529 1.00 0.00 H new HETATM 0 HG11 DVA A 6 4.695 5.611 -2.321 1.00 0.00 H new HETATM 0 HB DVA A 6 3.046 7.006 -1.129 1.00 0.00 H new HETATM 0 HA DVA A 6 1.921 4.379 -0.178 1.00 0.00 H new ATOM 39 N VAL A 7 -0.226 5.314 0.541 1.00 0.00 N ATOM 40 CA VAL A 7 -1.565 5.828 0.778 1.00 0.00 C ATOM 41 C VAL A 7 -2.076 5.303 2.121 1.00 0.00 C ATOM 42 O VAL A 7 -1.803 4.163 2.491 1.00 0.00 O ATOM 43 CB VAL A 7 -2.480 5.465 -0.393 1.00 0.00 C ATOM 44 CG1 VAL A 7 -1.968 6.079 -1.698 1.00 0.00 C ATOM 45 CG2 VAL A 7 -2.630 3.948 -0.522 1.00 0.00 C ATOM 0 H VAL A 7 -0.129 4.305 0.659 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.552 6.916 0.837 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.466 5.882 -0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.636 5.806 -2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.937 7.164 -1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.966 5.704 -1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.285 3.717 -1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.651 3.499 -0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.060 3.546 0.395 1.00 0.00 H new HETATM 46 N DVA A 8 -2.810 6.161 2.815 1.00 0.00 N HETATM 47 CA DVA A 8 -3.363 5.798 4.108 1.00 0.00 C HETATM 48 CB DVA A 8 -4.874 5.593 3.993 1.00 0.00 C HETATM 49 CG1 DVA A 8 -5.204 4.514 2.959 1.00 0.00 C HETATM 50 CG2 DVA A 8 -5.488 5.255 5.353 1.00 0.00 C HETATM 51 C DVA A 8 -2.982 6.864 5.138 1.00 0.00 C HETATM 52 O DVA A 8 -3.071 8.059 4.862 1.00 0.00 O HETATM 0 HG23 DVA A 8 -5.040 4.338 5.737 1.00 0.00 H new HETATM 0 HG22 DVA A 8 -5.299 6.071 6.050 1.00 0.00 H new HETATM 0 HG21 DVA A 8 -6.563 5.114 5.242 1.00 0.00 H new HETATM 0 HG13 DVA A 8 -4.817 4.813 1.985 1.00 0.00 H new HETATM 0 HG12 DVA A 8 -4.745 3.571 3.258 1.00 0.00 H new HETATM 0 HG11 DVA A 8 -6.285 4.388 2.897 1.00 0.00 H new HETATM 0 HB DVA A 8 -5.313 6.530 3.652 1.00 0.00 H new HETATM 0 HA DVA A 8 -2.945 4.851 4.449 1.00 0.00 H new ATOM 53 N TRP A 9 -2.565 6.392 6.304 1.00 0.00 N ATOM 54 CA TRP A 9 -2.170 7.290 7.375 1.00 0.00 C ATOM 55 C TRP A 9 -0.678 7.080 7.643 1.00 0.00 C ATOM 56 O TRP A 9 -0.264 5.995 8.050 1.00 0.00 O ATOM 57 CB TRP A 9 -3.036 7.075 8.618 1.00 0.00 C ATOM 58 CG TRP A 9 -2.637 7.943 9.814 1.00 0.00 C ATOM 59 CD1 TRP A 9 -3.040 9.188 10.100 1.00 0.00 C ATOM 60 CD2 TRP A 9 -1.754 7.618 10.878 1.00 0.00 C ATOM 61 NE1 TRP A 9 -2.465 9.651 11.266 1.00 0.00 N ATOM 62 CE2 TRP A 9 -1.645 8.639 11.755 1.00 0.00 C ATOM 63 CE3 TRP A 9 -1.037 6.421 11.086 1.00 0.00 C ATOM 64 CZ2 TRP A 9 -0.850 8.620 12.906 1.00 0.00 C ATOM 65 CZ3 TRP A 9 -0.241 6.401 12.238 1.00 0.00 C ATOM 66 CH2 TRP A 9 -0.131 7.453 13.140 1.00 0.00 C ATOM 0 H TRP A 9 -2.492 5.400 6.530 1.00 0.00 H new ATOM 0 HA TRP A 9 -2.329 8.329 7.085 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -4.076 7.281 8.364 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -2.981 6.026 8.909 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -3.729 9.758 9.494 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -2.614 10.566 11.691 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -1.097 5.583 10.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -0.798 9.465 13.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.327 5.505 12.440 1.00 0.00 H new ATOM 0 HH2 TRP A 9 0.503 7.365 14.010 1.00 0.00 H new HETATM 67 N DLE A 10 0.088 8.134 7.404 1.00 0.00 N HETATM 68 CA DLE A 10 1.525 8.078 7.613 1.00 0.00 C HETATM 69 CB DLE A 10 1.851 8.134 9.107 1.00 0.00 C HETATM 70 CG DLE A 10 3.364 8.180 9.323 1.00 0.00 C HETATM 71 CD1 DLE A 10 3.700 8.512 10.779 1.00 0.00 C HETATM 72 CD2 DLE A 10 4.023 6.877 8.866 1.00 0.00 C HETATM 73 C DLE A 10 2.198 9.182 6.795 1.00 0.00 C HETATM 74 O DLE A 10 2.225 10.339 7.212 1.00 0.00 O HETATM 0 HD23 DLE A 10 3.614 6.043 9.436 1.00 0.00 H new HETATM 0 HD22 DLE A 10 3.826 6.722 7.805 1.00 0.00 H new HETATM 0 HD21 DLE A 10 5.099 6.936 9.031 1.00 0.00 H new HETATM 0 HD13 DLE A 10 3.281 9.485 11.037 1.00 0.00 H new HETATM 0 HD12 DLE A 10 3.277 7.750 11.433 1.00 0.00 H new HETATM 0 HD11 DLE A 10 4.782 8.539 10.906 1.00 0.00 H new HETATM 0 HG DLE A 10 3.773 8.981 8.707 1.00 0.00 H new HETATM 0 HB3 DLE A 10 1.387 9.013 9.554 1.00 0.00 H new HETATM 0 HB2 DLE A 10 1.432 7.262 9.610 1.00 0.00 H new HETATM 0 HA DLE A 10 1.925 7.128 7.258 1.00 0.00 H new ATOM 75 N TRP A 11 2.726 8.787 5.647 1.00 0.00 N ATOM 76 CA TRP A 11 3.397 9.728 4.768 1.00 0.00 C ATOM 77 C TRP A 11 3.043 9.362 3.325 1.00 0.00 C ATOM 78 O TRP A 11 2.628 8.237 3.049 1.00 0.00 O ATOM 79 CB TRP A 11 4.905 9.742 5.028 1.00 0.00 C ATOM 80 CG TRP A 11 5.291 10.252 6.418 1.00 0.00 C ATOM 81 CD1 TRP A 11 4.921 11.396 7.010 1.00 0.00 C ATOM 82 CD2 TRP A 11 6.124 9.624 7.383 1.00 0.00 C ATOM 83 NE1 TRP A 11 5.469 11.514 8.270 1.00 0.00 N ATOM 84 CE2 TRP A 11 6.236 10.378 8.498 1.00 0.00 C ATOM 85 CE3 TRP A 11 6.792 8.386 7.289 1.00 0.00 C ATOM 86 CZ2 TRP A 11 6.990 10.025 9.624 1.00 0.00 C ATOM 87 CZ3 TRP A 11 7.547 8.034 8.415 1.00 0.00 C ATOM 88 CH2 TRP A 11 7.661 8.810 9.564 1.00 0.00 C ATOM 0 H TRP A 11 2.703 7.826 5.305 1.00 0.00 H new ATOM 0 HA TRP A 11 3.059 10.746 4.962 1.00 0.00 H new ATOM 0 HB2 TRP A 11 5.295 8.732 4.901 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.387 10.366 4.276 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.275 12.133 6.557 1.00 0.00 H new ATOM 0 HE1 TRP A 11 5.336 12.292 8.916 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.726 7.756 6.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.047 10.664 10.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.078 7.094 8.389 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.262 8.473 10.396 1.00 0.00 H new HETATM 89 N DLE A 12 3.221 10.333 2.441 1.00 0.00 N HETATM 90 CA DLE A 12 2.926 10.128 1.033 1.00 0.00 C HETATM 91 CB DLE A 12 4.132 10.510 0.171 1.00 0.00 C HETATM 92 CG DLE A 12 5.409 9.872 0.724 1.00 0.00 C HETATM 93 CD1 DLE A 12 5.375 8.351 0.563 1.00 0.00 C HETATM 94 CD2 DLE A 12 6.652 10.490 0.082 1.00 0.00 C HETATM 95 C DLE A 12 1.647 10.885 0.669 1.00 0.00 C HETATM 96 O DLE A 12 1.685 12.086 0.408 1.00 0.00 O HETATM 0 HD23 DLE A 12 6.621 10.332 -0.996 1.00 0.00 H new HETATM 0 HD22 DLE A 12 6.676 11.559 0.292 1.00 0.00 H new HETATM 0 HD21 DLE A 12 7.546 10.019 0.492 1.00 0.00 H new HETATM 0 HD13 DLE A 12 4.520 7.947 1.104 1.00 0.00 H new HETATM 0 HD12 DLE A 12 5.288 8.099 -0.494 1.00 0.00 H new HETATM 0 HD11 DLE A 12 6.294 7.922 0.964 1.00 0.00 H new HETATM 0 HG DLE A 12 5.462 10.081 1.792 1.00 0.00 H new HETATM 0 HB3 DLE A 12 3.970 10.183 -0.856 1.00 0.00 H new HETATM 0 HB2 DLE A 12 4.241 11.594 0.147 1.00 0.00 H new HETATM 0 HA DLE A 12 2.741 9.073 0.833 1.00 0.00 H new ATOM 97 N TRP A 13 0.545 10.149 0.663 1.00 0.00 N ATOM 98 CA TRP A 13 -0.744 10.736 0.334 1.00 0.00 C ATOM 99 C TRP A 13 -1.788 10.148 1.287 1.00 0.00 C ATOM 100 O TRP A 13 -1.517 9.170 1.982 1.00 0.00 O ATOM 101 CB TRP A 13 -1.087 10.515 -1.139 1.00 0.00 C ATOM 102 CG TRP A 13 -0.191 11.287 -2.110 1.00 0.00 C ATOM 103 CD1 TRP A 13 -0.359 12.532 -2.577 1.00 0.00 C ATOM 104 CD2 TRP A 13 1.014 10.853 -2.727 1.00 0.00 C ATOM 105 NE1 TRP A 13 0.658 12.892 -3.437 1.00 0.00 N ATOM 106 CE2 TRP A 13 1.529 11.812 -3.525 1.00 0.00 C ATOM 107 CE3 TRP A 13 1.668 9.611 -2.591 1.00 0.00 C ATOM 108 CZ2 TRP A 13 2.709 11.682 -4.267 1.00 0.00 C ATOM 109 CZ3 TRP A 13 2.848 9.481 -3.333 1.00 0.00 C ATOM 110 CH2 TRP A 13 3.377 10.468 -4.154 1.00 0.00 C ATOM 0 H TRP A 13 0.518 9.153 0.880 1.00 0.00 H new ATOM 0 HA TRP A 13 -0.721 11.818 0.467 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -1.015 9.451 -1.362 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.124 10.806 -1.308 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -1.187 13.173 -2.313 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.753 13.786 -3.919 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.287 8.820 -1.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.080 12.481 -4.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 3.385 8.547 -3.262 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.294 10.295 -4.697 1.00 0.00 H new HETATM 111 N DLE A 14 -2.957 10.769 1.287 1.00 0.00 N HETATM 112 CA DLE A 14 -4.043 10.318 2.142 1.00 0.00 C HETATM 113 CB DLE A 14 -5.360 10.284 1.363 1.00 0.00 C HETATM 114 CG DLE A 14 -5.294 9.241 0.246 1.00 0.00 C HETATM 115 CD1 DLE A 14 -5.760 7.872 0.745 1.00 0.00 C HETATM 116 CD2 DLE A 14 -6.081 9.702 -0.982 1.00 0.00 C HETATM 117 C DLE A 14 -4.094 11.193 3.396 1.00 0.00 C HETATM 118 O DLE A 14 -4.790 12.207 3.422 1.00 0.00 O HETATM 0 HD23 DLE A 14 -7.125 9.855 -0.709 1.00 0.00 H new HETATM 0 HD22 DLE A 14 -5.662 10.637 -1.353 1.00 0.00 H new HETATM 0 HD21 DLE A 14 -6.018 8.942 -1.761 1.00 0.00 H new HETATM 0 HD13 DLE A 14 -5.120 7.546 1.565 1.00 0.00 H new HETATM 0 HD12 DLE A 14 -6.790 7.944 1.095 1.00 0.00 H new HETATM 0 HD11 DLE A 14 -5.703 7.149 -0.069 1.00 0.00 H new HETATM 0 HG DLE A 14 -4.253 9.134 -0.060 1.00 0.00 H new HETATM 0 HB3 DLE A 14 -6.183 10.051 2.038 1.00 0.00 H new HETATM 0 HB2 DLE A 14 -5.564 11.267 0.939 1.00 0.00 H new HETATM 0 HA DLE A 14 -3.868 9.294 2.472 1.00 0.00 H new HETATM 0 H DLE A 14 -3.141 11.009 0.313 1.00 0.00 H new ATOM 119 N TRP A 15 -3.350 10.768 4.406 1.00 0.00 N ATOM 120 CA TRP A 15 -3.302 11.499 5.661 1.00 0.00 C ATOM 121 C TRP A 15 -1.867 11.440 6.188 1.00 0.00 C ATOM 122 O TRP A 15 -1.204 10.410 6.079 1.00 0.00 O ATOM 123 CB TRP A 15 -4.327 10.952 6.655 1.00 0.00 C ATOM 124 CG TRP A 15 -5.779 11.273 6.292 1.00 0.00 C ATOM 125 CD1 TRP A 15 -6.480 12.375 6.595 1.00 0.00 C ATOM 126 CD2 TRP A 15 -6.697 10.477 5.557 1.00 0.00 C ATOM 127 NE1 TRP A 15 -7.765 12.309 6.096 1.00 0.00 N ATOM 128 CE2 TRP A 15 -7.892 11.092 5.435 1.00 0.00 C ATOM 129 CE3 TRP A 15 -6.490 9.203 4.988 1.00 0.00 C ATOM 130 CZ2 TRP A 15 -8.998 10.557 4.764 1.00 0.00 C ATOM 131 CZ3 TRP A 15 -7.596 8.668 4.316 1.00 0.00 C ATOM 132 CH2 TRP A 15 -8.827 9.303 4.192 1.00 0.00 C ATOM 0 H TRP A 15 -2.775 9.926 4.381 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.574 12.543 5.509 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.211 9.870 6.723 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -4.112 11.358 7.643 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -6.088 13.209 7.158 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -8.488 13.021 6.194 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.549 8.679 5.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -9.934 11.091 4.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -7.485 7.694 3.862 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -9.638 8.828 3.659 1.00 0.00 H new HETATM 133 CA ETA A 16 -0.085 12.646 7.294 1.00 0.00 C HETATM 134 N ETA A 16 -1.429 12.558 6.749 1.00 0.00 N HETATM 135 CB ETA A 16 -0.035 11.935 8.648 1.00 0.00 C HETATM 136 O ETA A 16 1.292 11.855 9.160 1.00 0.00 O HETATM 0 HO ETA A 16 1.871 11.418 8.501 1.00 0.00 H new HETATM 0 HB2 ETA A 16 -0.667 12.466 9.360 1.00 0.00 H new HETATM 0 HB1 ETA A 16 -0.445 10.930 8.545 1.00 0.00 H new HETATM 0 HA2 ETA A 16 0.628 12.192 6.606 1.00 0.00 H new HETATM 0 HA1 ETA A 16 0.204 13.691 7.409 1.00 0.00 H new TER 137 ETA A 16 HETATM 138 C FVA B 1 3.603 -0.314 3.469 1.00 0.00 C HETATM 139 N FVA B 1 2.365 0.209 1.441 1.00 0.00 N HETATM 140 O FVA B 1 4.044 0.749 3.905 1.00 0.00 O HETATM 141 CA FVA B 1 3.491 -0.548 1.962 1.00 0.00 C HETATM 142 CB FVA B 1 4.767 -0.178 1.203 1.00 0.00 C HETATM 143 CG1 FVA B 1 5.949 -1.029 1.670 1.00 0.00 C HETATM 144 CG2 FVA B 1 4.562 -0.304 -0.308 1.00 0.00 C HETATM 145 O1 FVA B 1 1.053 -1.612 1.123 1.00 0.00 O HETATM 146 CN FVA B 1 1.248 -0.399 1.069 1.00 0.00 C HETATM 0 HG23 FVA B 1 4.294 -1.332 -0.554 1.00 0.00 H new HETATM 0 HG22 FVA B 1 3.761 0.365 -0.624 1.00 0.00 H new HETATM 0 HG21 FVA B 1 5.484 -0.035 -0.824 1.00 0.00 H new HETATM 0 HG13 FVA B 1 6.116 -0.866 2.735 1.00 0.00 H new HETATM 0 HG12 FVA B 1 5.731 -2.082 1.494 1.00 0.00 H new HETATM 0 HG11 FVA B 1 6.843 -0.746 1.115 1.00 0.00 H new HETATM 0 HN FVA B 1 0.440 0.224 0.686 1.00 0.00 H new HETATM 0 HB FVA B 1 4.998 0.864 1.423 1.00 0.00 H new HETATM 0 HA FVA B 1 3.337 -1.616 1.809 1.00 0.00 H new HETATM 0 H FVA B 1 2.436 1.223 1.361 1.00 0.00 H new ATOM 147 N GLY B 2 3.196 -1.323 4.225 1.00 0.00 N ATOM 148 CA GLY B 2 3.247 -1.241 5.675 1.00 0.00 C ATOM 149 C GLY B 2 2.367 -2.317 6.316 1.00 0.00 C ATOM 150 O GLY B 2 2.819 -3.438 6.542 1.00 0.00 O ATOM 0 H GLY B 2 2.829 -2.202 3.860 1.00 0.00 H new ATOM 0 HA2 GLY B 2 4.276 -1.359 6.014 1.00 0.00 H new ATOM 0 HA3 GLY B 2 2.916 -0.254 5.999 1.00 0.00 H new ATOM 151 N ALA B 3 1.129 -1.937 6.591 1.00 0.00 N ATOM 152 CA ALA B 3 0.182 -2.855 7.202 1.00 0.00 C ATOM 153 C ALA B 3 -1.225 -2.543 6.692 1.00 0.00 C ATOM 154 O ALA B 3 -1.538 -1.394 6.384 1.00 0.00 O ATOM 155 CB ALA B 3 0.286 -2.756 8.725 1.00 0.00 C ATOM 0 H ALA B 3 0.759 -1.006 6.402 1.00 0.00 H new ATOM 0 HA ALA B 3 0.412 -3.884 6.926 1.00 0.00 H new ATOM 0 HB1 ALA B 3 -0.424 -3.444 9.184 1.00 0.00 H new ATOM 0 HB2 ALA B 3 1.297 -3.016 9.038 1.00 0.00 H new ATOM 0 HB3 ALA B 3 0.059 -1.737 9.040 1.00 0.00 H new HETATM 156 N DLE B 4 -2.038 -3.587 6.618 1.00 0.00 N HETATM 157 CA DLE B 4 -3.407 -3.439 6.151 1.00 0.00 C HETATM 158 CB DLE B 4 -4.377 -3.423 7.332 1.00 0.00 C HETATM 159 CG DLE B 4 -5.816 -3.242 6.842 1.00 0.00 C HETATM 160 CD1 DLE B 4 -6.561 -4.579 6.824 1.00 0.00 C HETATM 161 CD2 DLE B 4 -6.550 -2.186 7.671 1.00 0.00 C HETATM 162 C DLE B 4 -3.710 -4.530 5.122 1.00 0.00 C HETATM 163 O DLE B 4 -3.483 -5.711 5.378 1.00 0.00 O HETATM 0 HD23 DLE B 4 -6.574 -2.495 8.716 1.00 0.00 H new HETATM 0 HD22 DLE B 4 -6.030 -1.232 7.587 1.00 0.00 H new HETATM 0 HD21 DLE B 4 -7.570 -2.078 7.302 1.00 0.00 H new HETATM 0 HD13 DLE B 4 -6.049 -5.272 6.156 1.00 0.00 H new HETATM 0 HD12 DLE B 4 -6.585 -4.996 7.831 1.00 0.00 H new HETATM 0 HD11 DLE B 4 -7.581 -4.423 6.472 1.00 0.00 H new HETATM 0 HG DLE B 4 -5.784 -2.878 5.815 1.00 0.00 H new HETATM 0 HB3 DLE B 4 -4.292 -4.354 7.893 1.00 0.00 H new HETATM 0 HB2 DLE B 4 -4.115 -2.615 8.015 1.00 0.00 H new HETATM 0 HA DLE B 4 -3.537 -2.480 5.649 1.00 0.00 H new ATOM 164 N ALA B 5 -4.219 -4.095 3.978 1.00 0.00 N ATOM 165 CA ALA B 5 -4.557 -5.020 2.909 1.00 0.00 C ATOM 166 C ALA B 5 -3.745 -4.668 1.662 1.00 0.00 C ATOM 167 O ALA B 5 -3.807 -3.541 1.174 1.00 0.00 O ATOM 168 CB ALA B 5 -6.065 -4.978 2.655 1.00 0.00 C ATOM 0 H ALA B 5 -4.405 -3.114 3.768 1.00 0.00 H new ATOM 0 HA ALA B 5 -4.303 -6.042 3.190 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -6.318 -5.672 1.853 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -6.595 -5.264 3.563 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -6.357 -3.968 2.367 1.00 0.00 H new HETATM 169 N DVA B 6 -3.001 -5.653 1.181 1.00 0.00 N HETATM 170 CA DVA B 6 -2.178 -5.462 -0.002 1.00 0.00 C HETATM 171 CB DVA B 6 -2.919 -5.966 -1.242 1.00 0.00 C HETATM 172 CG1 DVA B 6 -4.265 -5.258 -1.402 1.00 0.00 C HETATM 173 CG2 DVA B 6 -2.059 -5.802 -2.497 1.00 0.00 C HETATM 174 C DVA B 6 -0.826 -6.147 0.208 1.00 0.00 C HETATM 175 O DVA B 6 -0.714 -7.364 0.065 1.00 0.00 O HETATM 0 HG23 DVA B 6 -1.818 -4.748 -2.638 1.00 0.00 H new HETATM 0 HG22 DVA B 6 -1.138 -6.373 -2.384 1.00 0.00 H new HETATM 0 HG21 DVA B 6 -2.608 -6.168 -3.365 1.00 0.00 H new HETATM 0 HG13 DVA B 6 -4.883 -5.449 -0.525 1.00 0.00 H new HETATM 0 HG12 DVA B 6 -4.102 -4.185 -1.505 1.00 0.00 H new HETATM 0 HG11 DVA B 6 -4.771 -5.635 -2.291 1.00 0.00 H new HETATM 0 HB DVA B 6 -3.115 -7.030 -1.107 1.00 0.00 H new HETATM 0 HA DVA B 6 -1.983 -4.402 -0.166 1.00 0.00 H new ATOM 176 N VAL B 7 0.167 -5.337 0.543 1.00 0.00 N ATOM 177 CA VAL B 7 1.507 -5.850 0.772 1.00 0.00 C ATOM 178 C VAL B 7 2.026 -5.325 2.111 1.00 0.00 C ATOM 179 O VAL B 7 1.755 -4.184 2.483 1.00 0.00 O ATOM 180 CB VAL B 7 2.415 -5.488 -0.405 1.00 0.00 C ATOM 181 CG1 VAL B 7 1.896 -6.102 -1.706 1.00 0.00 C ATOM 182 CG2 VAL B 7 2.565 -3.971 -0.536 1.00 0.00 C ATOM 0 H VAL B 7 0.071 -4.329 0.661 1.00 0.00 H new ATOM 0 HA VAL B 7 1.495 -6.938 0.832 1.00 0.00 H new ATOM 0 HB VAL B 7 3.402 -5.906 -0.208 1.00 0.00 H new ATOM 0 HG11 VAL B 7 2.559 -5.830 -2.527 1.00 0.00 H new ATOM 0 HG12 VAL B 7 1.865 -7.187 -1.609 1.00 0.00 H new ATOM 0 HG13 VAL B 7 0.893 -5.727 -1.910 1.00 0.00 H new ATOM 0 HG21 VAL B 7 3.215 -3.741 -1.380 1.00 0.00 H new ATOM 0 HG22 VAL B 7 1.586 -3.521 -0.699 1.00 0.00 H new ATOM 0 HG23 VAL B 7 3.001 -3.568 0.378 1.00 0.00 H new HETATM 183 N DVA B 8 2.764 -6.183 2.801 1.00 0.00 N HETATM 184 CA DVA B 8 3.325 -5.819 4.092 1.00 0.00 C HETATM 185 CB DVA B 8 4.836 -5.614 3.967 1.00 0.00 C HETATM 186 CG1 DVA B 8 5.159 -4.535 2.931 1.00 0.00 C HETATM 187 CG2 DVA B 8 5.457 -5.275 5.323 1.00 0.00 C HETATM 188 C DVA B 8 2.950 -6.885 5.124 1.00 0.00 C HETATM 189 O DVA B 8 3.037 -8.079 4.848 1.00 0.00 O HETATM 0 HG23 DVA B 8 5.011 -4.358 5.709 1.00 0.00 H new HETATM 0 HG22 DVA B 8 5.272 -6.091 6.022 1.00 0.00 H new HETATM 0 HG21 DVA B 8 6.532 -5.134 5.206 1.00 0.00 H new HETATM 0 HG13 DVA B 8 4.765 -4.834 1.959 1.00 0.00 H new HETATM 0 HG12 DVA B 8 4.702 -3.592 3.233 1.00 0.00 H new HETATM 0 HG11 DVA B 8 6.239 -4.409 2.862 1.00 0.00 H new HETATM 0 HB DVA B 8 5.274 -6.551 3.623 1.00 0.00 H new HETATM 0 HA DVA B 8 2.909 -4.872 4.436 1.00 0.00 H new ATOM 190 N TRP B 9 2.539 -6.412 6.292 1.00 0.00 N ATOM 191 CA TRP B 9 2.151 -7.309 7.366 1.00 0.00 C ATOM 192 C TRP B 9 0.661 -7.099 7.643 1.00 0.00 C ATOM 193 O TRP B 9 0.248 -6.014 8.052 1.00 0.00 O ATOM 194 CB TRP B 9 3.024 -7.094 8.604 1.00 0.00 C ATOM 195 CG TRP B 9 2.632 -7.961 9.802 1.00 0.00 C ATOM 196 CD1 TRP B 9 3.036 -9.206 10.086 1.00 0.00 C ATOM 197 CD2 TRP B 9 1.755 -7.635 10.872 1.00 0.00 C ATOM 198 NE1 TRP B 9 2.468 -9.669 11.256 1.00 0.00 N ATOM 199 CE2 TRP B 9 1.652 -8.656 11.749 1.00 0.00 C ATOM 200 CE3 TRP B 9 1.039 -6.439 11.083 1.00 0.00 C ATOM 201 CZ2 TRP B 9 0.863 -8.636 12.905 1.00 0.00 C ATOM 202 CZ3 TRP B 9 0.250 -6.418 12.240 1.00 0.00 C ATOM 203 CH2 TRP B 9 0.145 -7.470 13.142 1.00 0.00 C ATOM 0 H TRP B 9 2.467 -5.420 6.517 1.00 0.00 H new ATOM 0 HA TRP B 9 2.309 -8.348 7.075 1.00 0.00 H new ATOM 0 HB2 TRP B 9 4.062 -7.300 8.344 1.00 0.00 H new ATOM 0 HB3 TRP B 9 2.971 -6.045 8.895 1.00 0.00 H new ATOM 0 HD1 TRP B 9 3.721 -9.776 9.476 1.00 0.00 H new ATOM 0 HE1 TRP B 9 2.619 -10.584 11.680 1.00 0.00 H new ATOM 0 HE3 TRP B 9 1.095 -5.602 10.403 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 0.815 -9.481 13.576 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -0.316 -5.522 12.446 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -0.485 -7.383 14.015 1.00 0.00 H new HETATM 204 N DLE B 10 -0.107 -8.154 7.408 1.00 0.00 N HETATM 205 CA DLE B 10 -1.543 -8.098 7.625 1.00 0.00 C HETATM 206 CB DLE B 10 -1.860 -8.153 9.121 1.00 0.00 C HETATM 207 CG DLE B 10 -3.372 -8.199 9.347 1.00 0.00 C HETATM 208 CD1 DLE B 10 -3.700 -8.530 10.805 1.00 0.00 C HETATM 209 CD2 DLE B 10 -4.034 -6.896 8.892 1.00 0.00 C HETATM 210 C DLE B 10 -2.221 -9.202 6.812 1.00 0.00 C HETATM 211 O DLE B 10 -2.245 -10.359 7.230 1.00 0.00 O HETATM 0 HD23 DLE B 10 -3.621 -6.061 9.458 1.00 0.00 H new HETATM 0 HD22 DLE B 10 -3.844 -6.743 7.830 1.00 0.00 H new HETATM 0 HD21 DLE B 10 -5.109 -6.955 9.064 1.00 0.00 H new HETATM 0 HD13 DLE B 10 -3.279 -9.502 11.061 1.00 0.00 H new HETATM 0 HD12 DLE B 10 -3.273 -7.767 11.456 1.00 0.00 H new HETATM 0 HD11 DLE B 10 -4.782 -8.556 10.938 1.00 0.00 H new HETATM 0 HG DLE B 10 -3.784 -9.001 8.735 1.00 0.00 H new HETATM 0 HB3 DLE B 10 -1.393 -9.032 9.566 1.00 0.00 H new HETATM 0 HB2 DLE B 10 -1.438 -7.281 9.620 1.00 0.00 H new HETATM 0 HA DLE B 10 -1.945 -7.149 7.271 1.00 0.00 H new ATOM 212 N TRP B 11 -2.755 -8.807 5.667 1.00 0.00 N ATOM 213 CA TRP B 11 -3.432 -9.749 4.792 1.00 0.00 C ATOM 214 C TRP B 11 -3.086 -9.383 3.347 1.00 0.00 C ATOM 215 O TRP B 11 -2.673 -8.259 3.069 1.00 0.00 O ATOM 216 CB TRP B 11 -4.938 -9.763 5.061 1.00 0.00 C ATOM 217 CG TRP B 11 -5.316 -10.272 6.454 1.00 0.00 C ATOM 218 CD1 TRP B 11 -4.942 -11.416 7.044 1.00 0.00 C ATOM 219 CD2 TRP B 11 -6.143 -9.643 7.423 1.00 0.00 C ATOM 220 NE1 TRP B 11 -5.483 -11.533 8.307 1.00 0.00 N ATOM 221 CE2 TRP B 11 -6.248 -10.396 8.539 1.00 0.00 C ATOM 222 CE3 TRP B 11 -6.812 -8.405 7.333 1.00 0.00 C ATOM 223 CZ2 TRP B 11 -6.996 -10.044 9.670 1.00 0.00 C ATOM 224 CZ3 TRP B 11 -7.560 -8.053 8.463 1.00 0.00 C ATOM 225 CH2 TRP B 11 -7.667 -8.828 9.612 1.00 0.00 C ATOM 0 H TRP B 11 -2.733 -7.847 5.324 1.00 0.00 H new ATOM 0 HA TRP B 11 -3.093 -10.767 4.985 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -5.329 -8.753 4.936 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -5.425 -10.388 4.312 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -4.298 -12.153 6.588 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -5.347 -12.311 8.952 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -6.752 -7.775 6.458 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -7.048 -10.683 10.539 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -8.091 -7.113 8.440 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -8.263 -8.490 10.447 1.00 0.00 H new HETATM 226 N DLE B 12 -3.269 -10.355 2.465 1.00 0.00 N HETATM 227 CA DLE B 12 -2.982 -10.150 1.055 1.00 0.00 C HETATM 228 CB DLE B 12 -4.192 -10.532 0.200 1.00 0.00 C HETATM 229 CG DLE B 12 -5.466 -9.894 0.760 1.00 0.00 C HETATM 230 CD1 DLE B 12 -5.433 -8.374 0.599 1.00 0.00 C HETATM 231 CD2 DLE B 12 -6.713 -10.513 0.126 1.00 0.00 C HETATM 232 C DLE B 12 -1.705 -10.907 0.683 1.00 0.00 C HETATM 233 O DLE B 12 -1.745 -12.109 0.424 1.00 0.00 O HETATM 0 HD23 DLE B 12 -6.689 -10.356 -0.952 1.00 0.00 H new HETATM 0 HD22 DLE B 12 -6.736 -11.582 0.337 1.00 0.00 H new HETATM 0 HD21 DLE B 12 -7.604 -10.042 0.541 1.00 0.00 H new HETATM 0 HD13 DLE B 12 -4.575 -7.970 1.136 1.00 0.00 H new HETATM 0 HD12 DLE B 12 -5.351 -8.122 -0.458 1.00 0.00 H new HETATM 0 HD11 DLE B 12 -6.349 -7.945 1.005 1.00 0.00 H new HETATM 0 HG DLE B 12 -5.513 -10.103 1.829 1.00 0.00 H new HETATM 0 HB3 DLE B 12 -4.036 -10.205 -0.828 1.00 0.00 H new HETATM 0 HB2 DLE B 12 -4.301 -11.616 0.177 1.00 0.00 H new HETATM 0 HA DLE B 12 -2.799 -9.094 0.854 1.00 0.00 H new ATOM 234 N TRP B 13 -0.603 -10.172 0.671 1.00 0.00 N ATOM 235 CA TRP B 13 0.684 -10.759 0.335 1.00 0.00 C ATOM 236 C TRP B 13 1.733 -10.170 1.281 1.00 0.00 C ATOM 237 O TRP B 13 1.466 -9.192 1.978 1.00 0.00 O ATOM 238 CB TRP B 13 1.018 -10.538 -1.141 1.00 0.00 C ATOM 239 CG TRP B 13 0.117 -11.311 -2.106 1.00 0.00 C ATOM 240 CD1 TRP B 13 0.283 -12.556 -2.573 1.00 0.00 C ATOM 241 CD2 TRP B 13 -1.092 -10.878 -2.715 1.00 0.00 C ATOM 242 NE1 TRP B 13 -0.739 -12.916 -3.427 1.00 0.00 N ATOM 243 CE2 TRP B 13 -1.611 -11.837 -3.511 1.00 0.00 C ATOM 244 CE3 TRP B 13 -1.745 -9.635 -2.577 1.00 0.00 C ATOM 245 CZ2 TRP B 13 -2.796 -11.707 -4.245 1.00 0.00 C ATOM 246 CZ3 TRP B 13 -2.930 -9.505 -3.311 1.00 0.00 C ATOM 247 CH2 TRP B 13 -3.463 -10.493 -4.130 1.00 0.00 C ATOM 0 H TRP B 13 -0.574 -9.176 0.888 1.00 0.00 H new ATOM 0 HA TRP B 13 0.662 -11.840 0.469 1.00 0.00 H new ATOM 0 HB2 TRP B 13 0.943 -9.474 -1.364 1.00 0.00 H new ATOM 0 HB3 TRP B 13 2.054 -10.829 -1.316 1.00 0.00 H new ATOM 0 HD1 TRP B 13 1.113 -13.197 -2.313 1.00 0.00 H new ATOM 0 HE1 TRP B 13 -0.837 -13.810 -3.908 1.00 0.00 H new ATOM 0 HE3 TRP B 13 -1.360 -8.843 -1.952 1.00 0.00 H new ATOM 0 HZ2 TRP B 13 -3.171 -12.506 -4.867 1.00 0.00 H new ATOM 0 HZ3 TRP B 13 -3.468 -8.571 -3.235 1.00 0.00 H new ATOM 0 HH2 TRP B 13 -4.382 -10.320 -4.670 1.00 0.00 H new HETATM 248 N DLE B 14 2.903 -10.791 1.275 1.00 0.00 N HETATM 249 CA DLE B 14 3.993 -10.340 2.124 1.00 0.00 C HETATM 250 CB DLE B 14 5.305 -10.306 1.337 1.00 0.00 C HETATM 251 CG DLE B 14 5.233 -9.264 0.220 1.00 0.00 C HETATM 252 CD1 DLE B 14 5.702 -7.894 0.715 1.00 0.00 C HETATM 253 CD2 DLE B 14 6.013 -9.725 -1.012 1.00 0.00 C HETATM 254 C DLE B 14 4.052 -11.214 3.378 1.00 0.00 C HETATM 255 O DLE B 14 4.748 -12.229 3.400 1.00 0.00 O HETATM 0 HD23 DLE B 14 7.059 -9.878 -0.744 1.00 0.00 H new HETATM 0 HD22 DLE B 14 5.592 -10.661 -1.380 1.00 0.00 H new HETATM 0 HD21 DLE B 14 5.945 -8.965 -1.791 1.00 0.00 H new HETATM 0 HD13 DLE B 14 5.066 -7.567 1.538 1.00 0.00 H new HETATM 0 HD12 DLE B 14 6.734 -7.965 1.059 1.00 0.00 H new HETATM 0 HD11 DLE B 14 5.640 -7.172 -0.099 1.00 0.00 H new HETATM 0 HG DLE B 14 4.190 -9.158 -0.080 1.00 0.00 H new HETATM 0 HB3 DLE B 14 6.132 -10.072 2.007 1.00 0.00 H new HETATM 0 HB2 DLE B 14 5.507 -11.289 0.912 1.00 0.00 H new HETATM 0 HA DLE B 14 3.819 -9.316 2.456 1.00 0.00 H new HETATM 0 H DLE B 14 3.082 -11.031 0.300 1.00 0.00 H new ATOM 256 N TRP B 15 3.313 -10.789 4.392 1.00 0.00 N ATOM 257 CA TRP B 15 3.272 -11.520 5.647 1.00 0.00 C ATOM 258 C TRP B 15 1.841 -11.460 6.182 1.00 0.00 C ATOM 259 O TRP B 15 1.177 -10.430 6.077 1.00 0.00 O ATOM 260 CB TRP B 15 4.304 -10.972 6.635 1.00 0.00 C ATOM 261 CG TRP B 15 5.753 -11.293 6.264 1.00 0.00 C ATOM 262 CD1 TRP B 15 6.456 -12.395 6.563 1.00 0.00 C ATOM 263 CD2 TRP B 15 6.667 -10.497 5.523 1.00 0.00 C ATOM 264 NE1 TRP B 15 7.739 -12.329 6.057 1.00 0.00 N ATOM 265 CE2 TRP B 15 7.861 -11.113 5.395 1.00 0.00 C ATOM 266 CE3 TRP B 15 6.457 -9.223 4.954 1.00 0.00 C ATOM 267 CZ2 TRP B 15 8.964 -10.578 4.717 1.00 0.00 C ATOM 268 CZ3 TRP B 15 7.559 -8.688 4.276 1.00 0.00 C ATOM 269 CH2 TRP B 15 8.789 -9.324 4.146 1.00 0.00 C ATOM 0 H TRP B 15 2.738 -9.947 4.370 1.00 0.00 H new ATOM 0 HA TRP B 15 3.543 -12.565 5.494 1.00 0.00 H new ATOM 0 HB2 TRP B 15 4.188 -9.890 6.703 1.00 0.00 H new ATOM 0 HB3 TRP B 15 4.095 -11.377 7.625 1.00 0.00 H new ATOM 0 HD1 TRP B 15 6.068 -13.229 7.128 1.00 0.00 H new ATOM 0 HE1 TRP B 15 8.463 -13.041 6.152 1.00 0.00 H new ATOM 0 HE3 TRP B 15 5.516 -8.699 5.035 1.00 0.00 H new ATOM 0 HZ2 TRP B 15 9.900 -11.112 4.642 1.00 0.00 H new ATOM 0 HZ3 TRP B 15 7.446 -7.714 3.823 1.00 0.00 H new ATOM 0 HH2 TRP B 15 9.597 -8.849 3.609 1.00 0.00 H new HETATM 270 CA ETA B 16 0.065 -12.665 7.300 1.00 0.00 C HETATM 271 N ETA B 16 1.406 -12.578 6.747 1.00 0.00 N HETATM 272 CB ETA B 16 0.023 -11.954 8.654 1.00 0.00 C HETATM 273 O ETA B 16 -1.301 -11.873 9.173 1.00 0.00 O HETATM 0 HO ETA B 16 -1.899 -11.509 8.487 1.00 0.00 H new HETATM 0 HB2 ETA B 16 0.658 -12.486 9.363 1.00 0.00 H new HETATM 0 HB1 ETA B 16 0.433 -10.950 8.549 1.00 0.00 H new HETATM 0 HA2 ETA B 16 -0.652 -12.210 6.616 1.00 0.00 H new HETATM 0 HA1 ETA B 16 -0.224 -13.709 7.417 1.00 0.00 H new TER 274 ETA B 16