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 -50:sc= 1.23 USER MOD Single : B 16 ETA O : rot -68:sc= 1.25 USER MOD ----------------------------------------------------------------- HETATM 1 C FVA A 1 -3.599 0.106 3.491 1.00 0.00 C HETATM 2 N FVA A 1 -2.333 -0.167 1.431 1.00 0.00 N HETATM 3 O FVA A 1 -3.932 -1.030 3.827 1.00 0.00 O HETATM 4 CA FVA A 1 -3.498 0.480 2.011 1.00 0.00 C HETATM 5 CB FVA A 1 -4.752 0.112 1.215 1.00 0.00 C HETATM 6 CG1 FVA A 1 -5.971 0.884 1.722 1.00 0.00 C HETATM 7 CG2 FVA A 1 -4.539 0.346 -0.283 1.00 0.00 C HETATM 8 O1 FVA A 1 -1.424 1.759 0.655 1.00 0.00 O HETATM 9 CN FVA A 1 -1.402 0.538 0.805 1.00 0.00 C HETATM 0 HG23 FVA A 1 -4.310 1.397 -0.458 1.00 0.00 H new HETATM 0 HG22 FVA A 1 -3.710 -0.269 -0.633 1.00 0.00 H new HETATM 0 HG21 FVA A 1 -5.445 0.077 -0.826 1.00 0.00 H new HETATM 0 HG13 FVA A 1 -6.142 0.646 2.772 1.00 0.00 H new HETATM 0 HG12 FVA A 1 -5.793 1.954 1.617 1.00 0.00 H new HETATM 0 HG11 FVA A 1 -6.848 0.603 1.139 1.00 0.00 H new HETATM 0 HN FVA A 1 -0.552 -0.005 0.392 1.00 0.00 H new HETATM 0 HB FVA A 1 -4.943 -0.951 1.365 1.00 0.00 H new HETATM 0 HA FVA A 1 -3.400 1.564 1.955 1.00 0.00 H new HETATM 0 H FVA A 1 -2.231 -1.179 1.507 1.00 0.00 H new ATOM 10 N GLY A 2 -3.307 1.084 4.336 1.00 0.00 N ATOM 11 CA GLY A 2 -3.361 0.873 5.773 1.00 0.00 C ATOM 12 C GLY A 2 -2.490 1.891 6.510 1.00 0.00 C ATOM 13 O GLY A 2 -2.989 2.907 6.993 1.00 0.00 O ATOM 0 H GLY A 2 -3.032 2.025 4.053 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.392 0.954 6.117 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -3.025 -0.137 6.009 1.00 0.00 H new ATOM 14 N ALA A 3 -1.202 1.584 6.574 1.00 0.00 N ATOM 15 CA ALA A 3 -0.257 2.460 7.245 1.00 0.00 C ATOM 16 C ALA A 3 1.139 2.245 6.654 1.00 0.00 C ATOM 17 O ALA A 3 1.506 1.122 6.313 1.00 0.00 O ATOM 18 CB ALA A 3 -0.298 2.200 8.751 1.00 0.00 C ATOM 0 H ALA A 3 -0.791 0.741 6.172 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.525 3.505 7.088 1.00 0.00 H new ATOM 0 HB1 ALA A 3 0.411 2.858 9.253 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.302 2.395 9.127 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.032 1.161 8.948 1.00 0.00 H new HETATM 19 N DLE A 4 1.878 3.340 6.552 1.00 0.00 N HETATM 20 CA DLE A 4 3.224 3.284 6.008 1.00 0.00 C HETATM 21 CB DLE A 4 4.257 3.527 7.111 1.00 0.00 C HETATM 22 CG DLE A 4 5.670 3.247 6.593 1.00 0.00 C HETATM 23 CD1 DLE A 4 6.385 4.549 6.224 1.00 0.00 C HETATM 24 CD2 DLE A 4 6.470 2.419 7.600 1.00 0.00 C HETATM 25 C DLE A 4 3.337 4.261 4.837 1.00 0.00 C HETATM 26 O DLE A 4 2.979 5.430 4.961 1.00 0.00 O HETATM 0 HD23 DLE A 4 6.545 2.964 8.541 1.00 0.00 H new HETATM 0 HD22 DLE A 4 5.966 1.468 7.771 1.00 0.00 H new HETATM 0 HD21 DLE A 4 7.470 2.235 7.207 1.00 0.00 H new HETATM 0 HD13 DLE A 4 5.823 5.065 5.446 1.00 0.00 H new HETATM 0 HD12 DLE A 4 6.455 5.188 7.105 1.00 0.00 H new HETATM 0 HD11 DLE A 4 7.387 4.323 5.859 1.00 0.00 H new HETATM 0 HG DLE A 4 5.589 2.654 5.682 1.00 0.00 H new HETATM 0 HB3 DLE A 4 4.189 4.557 7.461 1.00 0.00 H new HETATM 0 HB2 DLE A 4 4.043 2.885 7.966 1.00 0.00 H new HETATM 0 HA DLE A 4 3.435 2.289 5.616 1.00 0.00 H new ATOM 27 N ALA A 5 3.838 3.745 3.723 1.00 0.00 N ATOM 28 CA ALA A 5 4.003 4.556 2.529 1.00 0.00 C ATOM 29 C ALA A 5 3.008 4.095 1.463 1.00 0.00 C ATOM 30 O ALA A 5 3.005 2.927 1.075 1.00 0.00 O ATOM 31 CB ALA A 5 5.453 4.469 2.050 1.00 0.00 C ATOM 0 H ALA A 5 4.135 2.774 3.623 1.00 0.00 H new ATOM 0 HA ALA A 5 3.793 5.604 2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.577 5.077 1.154 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.117 4.836 2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.699 3.432 1.821 1.00 0.00 H new HETATM 32 N DVA A 6 2.187 5.036 1.020 1.00 0.00 N HETATM 33 CA DVA A 6 1.188 4.741 0.005 1.00 0.00 C HETATM 34 CB DVA A 6 1.704 5.156 -1.374 1.00 0.00 C HETATM 35 CG1 DVA A 6 3.046 4.487 -1.681 1.00 0.00 C HETATM 36 CG2 DVA A 6 0.674 4.846 -2.461 1.00 0.00 C HETATM 37 C DVA A 6 -0.129 5.421 0.380 1.00 0.00 C HETATM 38 O DVA A 6 -0.249 6.642 0.293 1.00 0.00 O HETATM 0 HG23 DVA A 6 0.468 3.776 -2.473 1.00 0.00 H new HETATM 0 HG22 DVA A 6 -0.248 5.390 -2.255 1.00 0.00 H new HETATM 0 HG21 DVA A 6 1.066 5.151 -3.431 1.00 0.00 H new HETATM 0 HG13 DVA A 6 3.779 4.781 -0.930 1.00 0.00 H new HETATM 0 HG12 DVA A 6 2.925 3.404 -1.665 1.00 0.00 H new HETATM 0 HG11 DVA A 6 3.391 4.799 -2.667 1.00 0.00 H new HETATM 0 HB DVA A 6 1.863 6.234 -1.362 1.00 0.00 H new HETATM 0 HA DVA A 6 0.998 3.669 -0.044 1.00 0.00 H new ATOM 39 N VAL A 7 -1.087 4.601 0.789 1.00 0.00 N ATOM 40 CA VAL A 7 -2.392 5.108 1.177 1.00 0.00 C ATOM 41 C VAL A 7 -2.671 4.727 2.632 1.00 0.00 C ATOM 42 O VAL A 7 -2.439 3.588 3.034 1.00 0.00 O ATOM 43 CB VAL A 7 -3.461 4.596 0.209 1.00 0.00 C ATOM 44 CG1 VAL A 7 -4.778 5.352 0.398 1.00 0.00 C ATOM 45 CG2 VAL A 7 -2.979 4.686 -1.239 1.00 0.00 C ATOM 0 H VAL A 7 -0.985 3.589 0.860 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.412 6.196 1.117 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.642 3.545 0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.521 4.969 -0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.135 5.212 1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.618 6.414 0.212 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.758 4.316 -1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.755 5.724 -1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.080 4.082 -1.361 1.00 0.00 H new HETATM 46 N DVA A 8 -3.164 5.702 3.382 1.00 0.00 N HETATM 47 CA DVA A 8 -3.476 5.483 4.784 1.00 0.00 C HETATM 48 CB DVA A 8 -4.988 5.335 4.966 1.00 0.00 C HETATM 49 CG1 DVA A 8 -5.487 4.020 4.363 1.00 0.00 C HETATM 50 CG2 DVA A 8 -5.375 5.444 6.442 1.00 0.00 C HETATM 51 C DVA A 8 -2.882 6.619 5.618 1.00 0.00 C HETATM 52 O DVA A 8 -3.000 7.788 5.254 1.00 0.00 O HETATM 0 HG23 DVA A 8 -4.876 4.657 7.008 1.00 0.00 H new HETATM 0 HG22 DVA A 8 -5.070 6.417 6.827 1.00 0.00 H new HETATM 0 HG21 DVA A 8 -6.455 5.335 6.544 1.00 0.00 H new HETATM 0 HG13 DVA A 8 -5.260 3.999 3.297 1.00 0.00 H new HETATM 0 HG12 DVA A 8 -4.992 3.183 4.856 1.00 0.00 H new HETATM 0 HG11 DVA A 8 -6.565 3.940 4.506 1.00 0.00 H new HETATM 0 HB DVA A 8 -5.472 6.153 4.432 1.00 0.00 H new HETATM 0 HA DVA A 8 -3.027 4.554 5.135 1.00 0.00 H new ATOM 53 N TRP A 9 -2.256 6.237 6.721 1.00 0.00 N ATOM 54 CA TRP A 9 -1.643 7.209 7.610 1.00 0.00 C ATOM 55 C TRP A 9 -0.128 6.999 7.568 1.00 0.00 C ATOM 56 O TRP A 9 0.345 5.863 7.558 1.00 0.00 O ATOM 57 CB TRP A 9 -2.223 7.103 9.022 1.00 0.00 C ATOM 58 CG TRP A 9 -1.450 7.902 10.074 1.00 0.00 C ATOM 59 CD1 TRP A 9 -1.634 9.177 10.439 1.00 0.00 C ATOM 60 CD2 TRP A 9 -0.371 7.466 10.890 1.00 0.00 C ATOM 61 NE1 TRP A 9 -0.744 9.555 11.423 1.00 0.00 N ATOM 62 CE2 TRP A 9 0.058 8.455 11.703 1.00 0.00 C ATOM 63 CE3 TRP A 9 0.242 6.197 10.924 1.00 0.00 C ATOM 64 CZ2 TRP A 9 1.107 8.330 12.622 1.00 0.00 C ATOM 65 CZ3 TRP A 9 1.292 6.072 11.843 1.00 0.00 C ATOM 66 CH2 TRP A 9 1.734 7.090 12.680 1.00 0.00 C ATOM 0 H TRP A 9 -2.160 5.266 7.020 1.00 0.00 H new ATOM 0 HA TRP A 9 -1.862 8.225 7.281 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -3.257 7.448 9.006 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -2.242 6.054 9.318 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -2.385 9.828 10.016 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -0.685 10.473 11.864 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -0.074 5.382 10.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 1.413 9.152 13.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 1.793 5.117 11.906 1.00 0.00 H new ATOM 0 HH2 TRP A 9 2.552 6.921 13.365 1.00 0.00 H new HETATM 67 N DLE A 10 0.591 8.111 7.545 1.00 0.00 N HETATM 68 CA DLE A 10 2.043 8.064 7.505 1.00 0.00 C HETATM 69 CB DLE A 10 2.626 8.334 8.893 1.00 0.00 C HETATM 70 CG DLE A 10 4.151 8.442 8.821 1.00 0.00 C HETATM 71 CD1 DLE A 10 4.726 8.965 10.139 1.00 0.00 C HETATM 72 CD2 DLE A 10 4.776 7.107 8.411 1.00 0.00 C HETATM 73 C DLE A 10 2.550 9.024 6.427 1.00 0.00 C HETATM 74 O DLE A 10 2.672 10.225 6.668 1.00 0.00 O HETATM 0 HD23 DLE A 10 4.514 6.343 9.143 1.00 0.00 H new HETATM 0 HD22 DLE A 10 4.400 6.815 7.431 1.00 0.00 H new HETATM 0 HD21 DLE A 10 5.860 7.211 8.367 1.00 0.00 H new HETATM 0 HD13 DLE A 10 4.315 9.953 10.349 1.00 0.00 H new HETATM 0 HD12 DLE A 10 4.462 8.283 10.947 1.00 0.00 H new HETATM 0 HD11 DLE A 10 5.811 9.032 10.061 1.00 0.00 H new HETATM 0 HG DLE A 10 4.407 9.167 8.049 1.00 0.00 H new HETATM 0 HB3 DLE A 10 2.209 9.257 9.296 1.00 0.00 H new HETATM 0 HB2 DLE A 10 2.344 7.532 9.575 1.00 0.00 H new HETATM 0 HA DLE A 10 2.385 7.066 7.230 1.00 0.00 H new ATOM 75 N TRP A 11 2.833 8.460 5.262 1.00 0.00 N ATOM 76 CA TRP A 11 3.325 9.251 4.147 1.00 0.00 C ATOM 77 C TRP A 11 2.648 8.744 2.872 1.00 0.00 C ATOM 78 O TRP A 11 2.073 7.656 2.862 1.00 0.00 O ATOM 79 CB TRP A 11 4.852 9.203 4.072 1.00 0.00 C ATOM 80 CG TRP A 11 5.555 9.816 5.286 1.00 0.00 C ATOM 81 CD1 TRP A 11 5.339 11.013 5.846 1.00 0.00 C ATOM 82 CD2 TRP A 11 6.587 9.248 6.082 1.00 0.00 C ATOM 83 NE1 TRP A 11 6.166 11.222 6.930 1.00 0.00 N ATOM 84 CE2 TRP A 11 6.959 10.088 7.071 1.00 0.00 C ATOM 85 CE3 TRP A 11 7.207 7.990 5.942 1.00 0.00 C ATOM 86 CZ2 TRP A 11 7.953 9.811 8.018 1.00 0.00 C ATOM 87 CZ3 TRP A 11 8.201 7.713 6.889 1.00 0.00 C ATOM 88 CH2 TRP A 11 8.584 8.577 7.907 1.00 0.00 C ATOM 0 H TRP A 11 2.731 7.464 5.066 1.00 0.00 H new ATOM 0 HA TRP A 11 3.073 10.303 4.280 1.00 0.00 H new ATOM 0 HB2 TRP A 11 5.168 8.165 3.968 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.178 9.727 3.173 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.608 11.726 5.493 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.191 12.054 7.519 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.936 7.292 5.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 8.215 10.517 8.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.705 6.760 6.823 1.00 0.00 H new ATOM 0 HH2 TRP A 11 9.361 8.294 8.602 1.00 0.00 H new HETATM 89 N DLE A 12 2.737 9.557 1.829 1.00 0.00 N HETATM 90 CA DLE A 12 2.140 9.203 0.553 1.00 0.00 C HETATM 91 CB DLE A 12 3.171 9.320 -0.571 1.00 0.00 C HETATM 92 CG DLE A 12 4.130 8.128 -0.545 1.00 0.00 C HETATM 93 CD1 DLE A 12 4.740 7.884 -1.927 1.00 0.00 C HETATM 94 CD2 DLE A 12 5.203 8.313 0.530 1.00 0.00 C HETATM 95 C DLE A 12 0.888 10.054 0.328 1.00 0.00 C HETATM 96 O DLE A 12 0.982 11.204 -0.098 1.00 0.00 O HETATM 0 HD23 DLE A 12 5.775 9.217 0.322 1.00 0.00 H new HETATM 0 HD22 DLE A 12 4.728 8.401 1.507 1.00 0.00 H new HETATM 0 HD21 DLE A 12 5.872 7.452 0.528 1.00 0.00 H new HETATM 0 HD13 DLE A 12 3.946 7.677 -2.644 1.00 0.00 H new HETATM 0 HD12 DLE A 12 5.292 8.769 -2.242 1.00 0.00 H new HETATM 0 HD11 DLE A 12 5.418 7.031 -1.880 1.00 0.00 H new HETATM 0 HG DLE A 12 3.560 7.236 -0.283 1.00 0.00 H new HETATM 0 HB3 DLE A 12 2.664 9.365 -1.535 1.00 0.00 H new HETATM 0 HB2 DLE A 12 3.732 10.248 -0.463 1.00 0.00 H new HETATM 0 HA DLE A 12 1.822 8.160 0.557 1.00 0.00 H new ATOM 97 N TRP A 13 -0.256 9.454 0.625 1.00 0.00 N ATOM 98 CA TRP A 13 -1.526 10.141 0.460 1.00 0.00 C ATOM 99 C TRP A 13 -2.449 9.706 1.599 1.00 0.00 C ATOM 100 O TRP A 13 -2.208 8.687 2.244 1.00 0.00 O ATOM 101 CB TRP A 13 -2.118 9.876 -0.926 1.00 0.00 C ATOM 102 CG TRP A 13 -1.351 10.545 -2.068 1.00 0.00 C ATOM 103 CD1 TRP A 13 -1.480 11.798 -2.526 1.00 0.00 C ATOM 104 CD2 TRP A 13 -0.336 9.984 -2.890 1.00 0.00 C ATOM 105 NE1 TRP A 13 -0.615 12.045 -3.573 1.00 0.00 N ATOM 106 CE2 TRP A 13 0.110 10.881 -3.797 1.00 0.00 C ATOM 107 CE3 TRP A 13 0.203 8.682 -2.850 1.00 0.00 C ATOM 108 CZ2 TRP A 13 1.107 10.623 -4.745 1.00 0.00 C ATOM 109 CZ3 TRP A 13 1.200 8.425 -3.798 1.00 0.00 C ATOM 110 CH2 TRP A 13 1.659 9.348 -4.731 1.00 0.00 C ATOM 0 H TRP A 13 -0.330 8.500 0.979 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.391 11.221 0.515 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.143 8.800 -1.100 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -3.150 10.225 -0.942 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.173 12.523 -2.126 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -0.525 12.921 -4.088 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -0.129 7.938 -2.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 1.430 11.375 -5.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.644 7.441 -3.805 1.00 0.00 H new ATOM 0 HH2 TRP A 13 2.433 9.078 -5.434 1.00 0.00 H new HETATM 111 N DLE A 14 -3.490 10.500 1.812 1.00 0.00 N HETATM 112 CA DLE A 14 -4.452 10.208 2.861 1.00 0.00 C HETATM 113 CB DLE A 14 -5.880 10.297 2.318 1.00 0.00 C HETATM 114 CG DLE A 14 -6.130 9.194 1.288 1.00 0.00 C HETATM 115 CD1 DLE A 14 -6.664 7.927 1.960 1.00 0.00 C HETATM 116 CD2 DLE A 14 -7.055 9.686 0.172 1.00 0.00 C HETATM 117 C DLE A 14 -4.190 11.129 4.056 1.00 0.00 C HETATM 118 O DLE A 14 -4.741 12.225 4.131 1.00 0.00 O HETATM 0 HD23 DLE A 14 -8.011 9.989 0.599 1.00 0.00 H new HETATM 0 HD22 DLE A 14 -6.597 10.537 -0.332 1.00 0.00 H new HETATM 0 HD21 DLE A 14 -7.217 8.883 -0.547 1.00 0.00 H new HETATM 0 HD13 DLE A 14 -5.937 7.567 2.688 1.00 0.00 H new HETATM 0 HD12 DLE A 14 -7.603 8.152 2.466 1.00 0.00 H new HETATM 0 HD11 DLE A 14 -6.833 7.159 1.206 1.00 0.00 H new HETATM 0 HG DLE A 14 -5.177 8.935 0.826 1.00 0.00 H new HETATM 0 HB3 DLE A 14 -6.593 10.207 3.137 1.00 0.00 H new HETATM 0 HB2 DLE A 14 -6.042 11.273 1.861 1.00 0.00 H new HETATM 0 HA DLE A 14 -4.333 9.184 3.214 1.00 0.00 H new HETATM 0 H DLE A 14 -3.814 10.724 0.871 1.00 0.00 H new ATOM 119 N TRP A 15 -3.348 10.648 4.959 1.00 0.00 N ATOM 120 CA TRP A 15 -3.008 11.413 6.146 1.00 0.00 C ATOM 121 C TRP A 15 -1.489 11.364 6.320 1.00 0.00 C ATOM 122 O TRP A 15 -0.885 10.295 6.238 1.00 0.00 O ATOM 123 CB TRP A 15 -3.767 10.895 7.369 1.00 0.00 C ATOM 124 CG TRP A 15 -5.266 11.200 7.347 1.00 0.00 C ATOM 125 CD1 TRP A 15 -5.901 12.254 7.877 1.00 0.00 C ATOM 126 CD2 TRP A 15 -6.309 10.434 6.760 1.00 0.00 C ATOM 127 NE1 TRP A 15 -7.262 12.188 7.656 1.00 0.00 N ATOM 128 CE2 TRP A 15 -7.511 11.022 6.942 1.00 0.00 C ATOM 129 CE3 TRP A 15 -6.211 9.213 6.062 1.00 0.00 C ATOM 130 CZ2 TRP A 15 -8.727 10.506 6.479 1.00 0.00 C ATOM 131 CZ3 TRP A 15 -7.428 8.697 5.598 1.00 0.00 C ATOM 132 CH2 TRP A 15 -8.664 9.303 5.786 1.00 0.00 C ATOM 0 H TRP A 15 -2.891 9.738 4.892 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.313 12.454 6.035 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -3.627 9.816 7.440 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.331 11.333 8.267 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -5.410 13.055 8.410 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.957 12.870 7.961 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.268 8.713 5.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -9.664 11.015 6.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -7.404 7.763 5.056 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -9.563 8.846 5.399 1.00 0.00 H new HETATM 133 CA ETA A 16 0.524 12.639 6.742 1.00 0.00 C HETATM 134 N ETA A 16 -0.914 12.534 6.556 1.00 0.00 N HETATM 135 CB ETA A 16 0.885 12.232 8.172 1.00 0.00 C HETATM 136 O ETA A 16 2.294 12.183 8.374 1.00 0.00 O HETATM 0 HO ETA A 16 2.708 11.651 7.663 1.00 0.00 H new HETATM 0 HB2 ETA A 16 0.443 12.940 8.873 1.00 0.00 H new HETATM 0 HB1 ETA A 16 0.453 11.255 8.391 1.00 0.00 H new HETATM 0 HA2 ETA A 16 1.041 11.998 6.029 1.00 0.00 H new HETATM 0 HA1 ETA A 16 0.853 13.660 6.549 1.00 0.00 H new TER 137 ETA A 16 HETATM 138 C FVA B 1 3.559 -0.131 3.468 1.00 0.00 C HETATM 139 N FVA B 1 2.279 0.142 1.416 1.00 0.00 N HETATM 140 O FVA B 1 3.893 1.005 3.802 1.00 0.00 O HETATM 141 CA FVA B 1 3.448 -0.505 1.989 1.00 0.00 C HETATM 142 CB FVA B 1 4.697 -0.138 1.184 1.00 0.00 C HETATM 143 CG1 FVA B 1 5.919 -0.910 1.685 1.00 0.00 C HETATM 144 CG2 FVA B 1 4.474 -0.373 -0.312 1.00 0.00 C HETATM 145 O1 FVA B 1 1.365 -1.785 0.647 1.00 0.00 O HETATM 146 CN FVA B 1 1.344 -0.564 0.796 1.00 0.00 C HETATM 0 HG23 FVA B 1 4.243 -1.424 -0.485 1.00 0.00 H new HETATM 0 HG22 FVA B 1 3.643 0.242 -0.657 1.00 0.00 H new HETATM 0 HG21 FVA B 1 5.377 -0.104 -0.861 1.00 0.00 H new HETATM 0 HG13 FVA B 1 6.096 -0.670 2.733 1.00 0.00 H new HETATM 0 HG12 FVA B 1 5.740 -1.980 1.583 1.00 0.00 H new HETATM 0 HG11 FVA B 1 6.793 -0.631 1.096 1.00 0.00 H new HETATM 0 HN FVA B 1 0.492 -0.021 0.387 1.00 0.00 H new HETATM 0 HB FVA B 1 4.890 0.925 1.331 1.00 0.00 H new HETATM 0 HA FVA B 1 3.349 -1.589 1.934 1.00 0.00 H new HETATM 0 H FVA B 1 2.177 1.154 1.492 1.00 0.00 H new ATOM 147 N GLY B 2 3.272 -1.108 4.315 1.00 0.00 N ATOM 148 CA GLY B 2 3.335 -0.896 5.752 1.00 0.00 C ATOM 149 C GLY B 2 2.468 -1.914 6.495 1.00 0.00 C ATOM 150 O GLY B 2 2.971 -2.929 6.976 1.00 0.00 O ATOM 0 H GLY B 2 2.995 -2.049 4.034 1.00 0.00 H new ATOM 0 HA2 GLY B 2 4.368 -0.977 6.090 1.00 0.00 H new ATOM 0 HA3 GLY B 2 3.000 0.114 5.989 1.00 0.00 H new ATOM 151 N ALA B 3 1.181 -1.607 6.567 1.00 0.00 N ATOM 152 CA ALA B 3 0.240 -2.483 7.245 1.00 0.00 C ATOM 153 C ALA B 3 -1.159 -2.267 6.663 1.00 0.00 C ATOM 154 O ALA B 3 -1.528 -1.145 6.324 1.00 0.00 O ATOM 155 CB ALA B 3 0.291 -2.221 8.750 1.00 0.00 C ATOM 0 H ALA B 3 0.768 -0.764 6.167 1.00 0.00 H new ATOM 0 HA ALA B 3 0.506 -3.528 7.088 1.00 0.00 H new ATOM 0 HB1 ALA B 3 -0.415 -2.878 9.258 1.00 0.00 H new ATOM 0 HB2 ALA B 3 1.298 -2.415 9.119 1.00 0.00 H new ATOM 0 HB3 ALA B 3 0.026 -1.182 8.948 1.00 0.00 H new HETATM 156 N DLE B 4 -1.899 -3.362 6.566 1.00 0.00 N HETATM 157 CA DLE B 4 -3.249 -3.307 6.031 1.00 0.00 C HETATM 158 CB DLE B 4 -4.275 -3.549 7.140 1.00 0.00 C HETATM 159 CG DLE B 4 -5.690 -3.270 6.632 1.00 0.00 C HETATM 160 CD1 DLE B 4 -6.408 -4.571 6.267 1.00 0.00 C HETATM 161 CD2 DLE B 4 -6.484 -2.441 7.643 1.00 0.00 C HETATM 162 C DLE B 4 -3.369 -4.285 4.861 1.00 0.00 C HETATM 163 O DLE B 4 -3.010 -5.454 4.984 1.00 0.00 O HETATM 0 HD23 DLE B 4 -6.553 -2.985 8.585 1.00 0.00 H new HETATM 0 HD22 DLE B 4 -5.979 -1.489 7.809 1.00 0.00 H new HETATM 0 HD21 DLE B 4 -7.486 -2.258 7.256 1.00 0.00 H new HETATM 0 HD13 DLE B 4 -5.851 -5.087 5.485 1.00 0.00 H new HETATM 0 HD12 DLE B 4 -6.473 -5.210 7.148 1.00 0.00 H new HETATM 0 HD11 DLE B 4 -7.412 -4.344 5.909 1.00 0.00 H new HETATM 0 HG DLE B 4 -5.614 -2.677 5.720 1.00 0.00 H new HETATM 0 HB3 DLE B 4 -4.205 -4.579 7.490 1.00 0.00 H new HETATM 0 HB2 DLE B 4 -4.055 -2.907 7.993 1.00 0.00 H new HETATM 0 HA DLE B 4 -3.463 -2.312 5.640 1.00 0.00 H new ATOM 164 N ALA B 5 -3.877 -3.769 3.750 1.00 0.00 N ATOM 165 CA ALA B 5 -4.050 -4.581 2.558 1.00 0.00 C ATOM 166 C ALA B 5 -3.061 -4.121 1.485 1.00 0.00 C ATOM 167 O ALA B 5 -3.061 -2.953 1.096 1.00 0.00 O ATOM 168 CB ALA B 5 -5.503 -4.495 2.088 1.00 0.00 C ATOM 0 H ALA B 5 -4.174 -2.798 3.651 1.00 0.00 H new ATOM 0 HA ALA B 5 -3.839 -5.629 2.773 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -5.633 -5.104 1.194 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -6.162 -4.861 2.875 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -5.751 -3.458 1.860 1.00 0.00 H new HETATM 169 N DVA B 6 -2.243 -5.062 1.037 1.00 0.00 N HETATM 170 CA DVA B 6 -1.251 -4.767 0.016 1.00 0.00 C HETATM 171 CB DVA B 6 -1.776 -5.183 -1.359 1.00 0.00 C HETATM 172 CG1 DVA B 6 -3.120 -4.514 -1.658 1.00 0.00 C HETATM 173 CG2 DVA B 6 -0.753 -4.874 -2.454 1.00 0.00 C HETATM 174 C DVA B 6 0.069 -5.447 0.383 1.00 0.00 C HETATM 175 O DVA B 6 0.188 -6.668 0.296 1.00 0.00 O HETATM 0 HG23 DVA B 6 -0.547 -3.804 -2.468 1.00 0.00 H new HETATM 0 HG22 DVA B 6 0.170 -5.418 -2.254 1.00 0.00 H new HETATM 0 HG21 DVA B 6 -1.152 -5.180 -3.421 1.00 0.00 H new HETATM 0 HG13 DVA B 6 -3.849 -4.808 -0.902 1.00 0.00 H new HETATM 0 HG12 DVA B 6 -2.999 -3.431 -1.643 1.00 0.00 H new HETATM 0 HG11 DVA B 6 -3.471 -4.827 -2.641 1.00 0.00 H new HETATM 0 HB DVA B 6 -1.934 -6.261 -1.345 1.00 0.00 H new HETATM 0 HA DVA B 6 -1.061 -3.695 -0.034 1.00 0.00 H new ATOM 176 N VAL B 7 1.029 -4.627 0.785 1.00 0.00 N ATOM 177 CA VAL B 7 2.337 -5.134 1.165 1.00 0.00 C ATOM 178 C VAL B 7 2.625 -4.752 2.618 1.00 0.00 C ATOM 179 O VAL B 7 2.396 -3.612 3.021 1.00 0.00 O ATOM 180 CB VAL B 7 3.400 -4.623 0.190 1.00 0.00 C ATOM 181 CG1 VAL B 7 4.717 -5.379 0.371 1.00 0.00 C ATOM 182 CG2 VAL B 7 2.908 -4.714 -1.255 1.00 0.00 C ATOM 0 H VAL B 7 0.927 -3.615 0.856 1.00 0.00 H new ATOM 0 HA VAL B 7 2.357 -6.222 1.105 1.00 0.00 H new ATOM 0 HB VAL B 7 3.584 -3.572 0.414 1.00 0.00 H new ATOM 0 HG11 VAL B 7 5.456 -4.997 -0.334 1.00 0.00 H new ATOM 0 HG12 VAL B 7 5.080 -5.239 1.389 1.00 0.00 H new ATOM 0 HG13 VAL B 7 4.555 -6.441 0.187 1.00 0.00 H new ATOM 0 HG21 VAL B 7 3.683 -4.345 -1.927 1.00 0.00 H new ATOM 0 HG22 VAL B 7 2.682 -5.752 -1.498 1.00 0.00 H new ATOM 0 HG23 VAL B 7 2.008 -4.110 -1.372 1.00 0.00 H new HETATM 183 N DVA B 8 3.123 -5.726 3.365 1.00 0.00 N HETATM 184 CA DVA B 8 3.444 -5.507 4.765 1.00 0.00 C HETATM 185 CB DVA B 8 4.957 -5.359 4.937 1.00 0.00 C HETATM 186 CG1 DVA B 8 5.452 -4.044 4.330 1.00 0.00 C HETATM 187 CG2 DVA B 8 5.354 -5.467 6.411 1.00 0.00 C HETATM 188 C DVA B 8 2.855 -6.642 5.603 1.00 0.00 C HETATM 189 O DVA B 8 2.971 -7.811 5.239 1.00 0.00 O HETATM 0 HG23 DVA B 8 4.859 -4.680 6.980 1.00 0.00 H new HETATM 0 HG22 DVA B 8 5.052 -6.440 6.799 1.00 0.00 H new HETATM 0 HG21 DVA B 8 6.434 -5.358 6.506 1.00 0.00 H new HETATM 0 HG13 DVA B 8 5.218 -4.024 3.266 1.00 0.00 H new HETATM 0 HG12 DVA B 8 4.961 -3.207 4.826 1.00 0.00 H new HETATM 0 HG11 DVA B 8 6.531 -3.964 4.466 1.00 0.00 H new HETATM 0 HB DVA B 8 5.437 -6.177 4.400 1.00 0.00 H new HETATM 0 HA DVA B 8 2.997 -4.578 5.119 1.00 0.00 H new ATOM 190 N TRP B 9 2.236 -6.259 6.710 1.00 0.00 N ATOM 191 CA TRP B 9 1.629 -7.231 7.603 1.00 0.00 C ATOM 192 C TRP B 9 0.114 -7.021 7.571 1.00 0.00 C ATOM 193 O TRP B 9 -0.360 -5.885 7.563 1.00 0.00 O ATOM 194 CB TRP B 9 2.218 -7.124 9.012 1.00 0.00 C ATOM 195 CG TRP B 9 1.452 -7.922 10.069 1.00 0.00 C ATOM 196 CD1 TRP B 9 1.638 -9.198 10.434 1.00 0.00 C ATOM 197 CD2 TRP B 9 0.378 -7.486 10.892 1.00 0.00 C ATOM 198 NE1 TRP B 9 0.754 -9.575 11.424 1.00 0.00 N ATOM 199 CE2 TRP B 9 -0.046 -8.475 11.708 1.00 0.00 C ATOM 200 CE3 TRP B 9 -0.235 -6.217 10.929 1.00 0.00 C ATOM 201 CZ2 TRP B 9 -1.089 -8.349 12.634 1.00 0.00 C ATOM 202 CZ3 TRP B 9 -1.279 -6.091 11.855 1.00 0.00 C ATOM 203 CH2 TRP B 9 -1.715 -7.109 12.695 1.00 0.00 C ATOM 0 H TRP B 9 2.142 -5.288 7.009 1.00 0.00 H new ATOM 0 HA TRP B 9 1.847 -8.247 7.273 1.00 0.00 H new ATOM 0 HB2 TRP B 9 3.252 -7.469 8.990 1.00 0.00 H new ATOM 0 HB3 TRP B 9 2.238 -6.075 9.308 1.00 0.00 H new ATOM 0 HD1 TRP B 9 2.386 -9.849 10.007 1.00 0.00 H new ATOM 0 HE1 TRP B 9 0.698 -10.493 11.866 1.00 0.00 H new ATOM 0 HE3 TRP B 9 0.077 -5.403 10.291 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -1.391 -9.171 13.267 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -1.780 -5.136 11.921 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -2.528 -6.939 13.385 1.00 0.00 H new HETATM 204 N DLE B 10 -0.605 -8.133 7.554 1.00 0.00 N HETATM 205 CA DLE B 10 -2.058 -8.086 7.523 1.00 0.00 C HETATM 206 CB DLE B 10 -2.632 -8.355 8.915 1.00 0.00 C HETATM 207 CG DLE B 10 -4.157 -8.463 8.852 1.00 0.00 C HETATM 208 CD1 DLE B 10 -4.724 -8.985 10.174 1.00 0.00 C HETATM 209 CD2 DLE B 10 -4.785 -7.128 8.446 1.00 0.00 C HETATM 210 C DLE B 10 -2.572 -9.047 6.449 1.00 0.00 C HETATM 211 O DLE B 10 -2.692 -10.247 6.691 1.00 0.00 O HETATM 0 HD23 DLE B 10 -4.519 -6.364 9.176 1.00 0.00 H new HETATM 0 HD22 DLE B 10 -4.415 -6.836 7.463 1.00 0.00 H new HETATM 0 HD21 DLE B 10 -5.869 -7.232 8.409 1.00 0.00 H new HETATM 0 HD13 DLE B 10 -4.312 -9.972 10.382 1.00 0.00 H new HETATM 0 HD12 DLE B 10 -4.455 -8.302 10.980 1.00 0.00 H new HETATM 0 HD11 DLE B 10 -5.810 -9.052 10.103 1.00 0.00 H new HETATM 0 HG DLE B 10 -4.417 -9.188 8.081 1.00 0.00 H new HETATM 0 HB3 DLE B 10 -2.212 -9.277 9.316 1.00 0.00 H new HETATM 0 HB2 DLE B 10 -2.346 -7.552 9.595 1.00 0.00 H new HETATM 0 HA DLE B 10 -2.402 -7.088 7.249 1.00 0.00 H new ATOM 212 N TRP B 11 -2.862 -8.484 5.285 1.00 0.00 N ATOM 213 CA TRP B 11 -3.361 -9.275 4.174 1.00 0.00 C ATOM 214 C TRP B 11 -2.692 -8.769 2.895 1.00 0.00 C ATOM 215 O TRP B 11 -2.118 -7.681 2.880 1.00 0.00 O ATOM 216 CB TRP B 11 -4.889 -9.227 4.109 1.00 0.00 C ATOM 217 CG TRP B 11 -5.584 -9.839 5.327 1.00 0.00 C ATOM 218 CD1 TRP B 11 -5.364 -11.036 5.887 1.00 0.00 C ATOM 219 CD2 TRP B 11 -6.611 -9.271 6.130 1.00 0.00 C ATOM 220 NE1 TRP B 11 -6.185 -11.244 6.977 1.00 0.00 N ATOM 221 CE2 TRP B 11 -6.977 -10.111 7.122 1.00 0.00 C ATOM 222 CE3 TRP B 11 -7.232 -8.013 5.993 1.00 0.00 C ATOM 223 CZ2 TRP B 11 -7.965 -9.833 8.075 1.00 0.00 C ATOM 224 CZ3 TRP B 11 -8.220 -7.736 6.946 1.00 0.00 C ATOM 225 CH2 TRP B 11 -8.596 -8.599 7.968 1.00 0.00 C ATOM 0 H TRP B 11 -2.761 -7.488 5.088 1.00 0.00 H new ATOM 0 HA TRP B 11 -3.109 -10.327 4.306 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -5.205 -8.189 4.007 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -5.221 -9.751 3.213 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -4.635 -11.749 5.530 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -6.207 -12.076 7.567 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -6.966 -7.316 5.212 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -8.223 -10.539 8.851 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -8.726 -6.784 6.882 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -9.367 -8.315 8.669 1.00 0.00 H new HETATM 226 N DLE B 12 -2.789 -9.582 1.852 1.00 0.00 N HETATM 227 CA DLE B 12 -2.199 -9.230 0.572 1.00 0.00 C HETATM 228 CB DLE B 12 -3.238 -9.347 -0.545 1.00 0.00 C HETATM 229 CG DLE B 12 -4.197 -8.155 -0.514 1.00 0.00 C HETATM 230 CD1 DLE B 12 -4.815 -7.912 -1.892 1.00 0.00 C HETATM 231 CD2 DLE B 12 -5.263 -8.339 0.569 1.00 0.00 C HETATM 232 C DLE B 12 -0.949 -10.080 0.340 1.00 0.00 C HETATM 233 O DLE B 12 -1.046 -11.231 -0.085 1.00 0.00 O HETATM 0 HD23 DLE B 12 -5.836 -9.244 0.366 1.00 0.00 H new HETATM 0 HD22 DLE B 12 -4.781 -8.426 1.543 1.00 0.00 H new HETATM 0 HD21 DLE B 12 -5.932 -7.479 0.571 1.00 0.00 H new HETATM 0 HD13 DLE B 12 -4.025 -7.706 -2.614 1.00 0.00 H new HETATM 0 HD12 DLE B 12 -5.369 -8.798 -2.204 1.00 0.00 H new HETATM 0 HD11 DLE B 12 -5.492 -7.059 -1.842 1.00 0.00 H new HETATM 0 HG DLE B 12 -3.626 -7.263 -0.257 1.00 0.00 H new HETATM 0 HB3 DLE B 12 -2.737 -9.393 -1.512 1.00 0.00 H new HETATM 0 HB2 DLE B 12 -3.799 -10.275 -0.432 1.00 0.00 H new HETATM 0 HA DLE B 12 -1.880 -8.188 0.573 1.00 0.00 H new ATOM 234 N TRP B 13 0.197 -9.481 0.629 1.00 0.00 N ATOM 235 CA TRP B 13 1.465 -10.168 0.457 1.00 0.00 C ATOM 236 C TRP B 13 2.397 -9.732 1.590 1.00 0.00 C ATOM 237 O TRP B 13 2.160 -8.712 2.235 1.00 0.00 O ATOM 238 CB TRP B 13 2.049 -9.903 -0.933 1.00 0.00 C ATOM 239 CG TRP B 13 1.274 -10.573 -2.070 1.00 0.00 C ATOM 240 CD1 TRP B 13 1.400 -11.826 -2.528 1.00 0.00 C ATOM 241 CD2 TRP B 13 0.254 -10.012 -2.886 1.00 0.00 C ATOM 242 NE1 TRP B 13 0.529 -12.073 -3.570 1.00 0.00 N ATOM 243 CE2 TRP B 13 -0.197 -10.910 -3.790 1.00 0.00 C ATOM 244 CE3 TRP B 13 -0.284 -8.711 -2.843 1.00 0.00 C ATOM 245 CZ2 TRP B 13 -1.200 -10.653 -4.731 1.00 0.00 C ATOM 246 CZ3 TRP B 13 -1.288 -8.454 -3.785 1.00 0.00 C ATOM 247 CH2 TRP B 13 -1.752 -9.377 -4.714 1.00 0.00 C ATOM 0 H TRP B 13 0.273 -8.527 0.981 1.00 0.00 H new ATOM 0 HA TRP B 13 1.329 -11.248 0.514 1.00 0.00 H new ATOM 0 HB2 TRP B 13 2.073 -8.827 -1.107 1.00 0.00 H new ATOM 0 HB3 TRP B 13 3.081 -10.252 -0.955 1.00 0.00 H new ATOM 0 HD1 TRP B 13 2.095 -12.551 -2.132 1.00 0.00 H new ATOM 0 HE1 TRP B 13 0.436 -12.949 -4.084 1.00 0.00 H new ATOM 0 HE3 TRP B 13 0.053 -7.967 -2.136 1.00 0.00 H new ATOM 0 HZ2 TRP B 13 -1.528 -11.405 -5.433 1.00 0.00 H new ATOM 0 HZ3 TRP B 13 -1.733 -7.470 -3.790 1.00 0.00 H new ATOM 0 HH2 TRP B 13 -2.530 -9.107 -5.413 1.00 0.00 H new HETATM 248 N DLE B 14 3.438 -10.526 1.796 1.00 0.00 N HETATM 249 CA DLE B 14 4.407 -10.233 2.838 1.00 0.00 C HETATM 250 CB DLE B 14 5.831 -10.322 2.287 1.00 0.00 C HETATM 251 CG DLE B 14 6.075 -9.219 1.255 1.00 0.00 C HETATM 252 CD1 DLE B 14 6.613 -7.952 1.922 1.00 0.00 C HETATM 253 CD2 DLE B 14 6.992 -9.713 0.133 1.00 0.00 C HETATM 254 C DLE B 14 4.153 -11.153 4.036 1.00 0.00 C HETATM 255 O DLE B 14 4.705 -12.249 4.108 1.00 0.00 O HETATM 0 HD23 DLE B 14 7.951 -10.017 0.554 1.00 0.00 H new HETATM 0 HD22 DLE B 14 6.529 -10.564 -0.367 1.00 0.00 H new HETATM 0 HD21 DLE B 14 7.150 -8.911 -0.588 1.00 0.00 H new HETATM 0 HD13 DLE B 14 5.890 -7.591 2.654 1.00 0.00 H new HETATM 0 HD12 DLE B 14 7.555 -8.176 2.422 1.00 0.00 H new HETATM 0 HD11 DLE B 14 6.778 -7.184 1.166 1.00 0.00 H new HETATM 0 HG DLE B 14 5.120 -8.959 0.799 1.00 0.00 H new HETATM 0 HB3 DLE B 14 6.549 -10.231 3.102 1.00 0.00 H new HETATM 0 HB2 DLE B 14 5.990 -11.298 1.829 1.00 0.00 H new HETATM 0 HA DLE B 14 4.290 -9.208 3.190 1.00 0.00 H new HETATM 0 H DLE B 14 3.755 -10.751 0.853 1.00 0.00 H new ATOM 256 N TRP B 15 3.317 -10.671 4.944 1.00 0.00 N ATOM 257 CA TRP B 15 2.984 -11.436 6.133 1.00 0.00 C ATOM 258 C TRP B 15 1.466 -11.387 6.317 1.00 0.00 C ATOM 259 O TRP B 15 0.862 -10.318 6.239 1.00 0.00 O ATOM 260 CB TRP B 15 3.751 -10.917 7.352 1.00 0.00 C ATOM 261 CG TRP B 15 5.250 -11.223 7.320 1.00 0.00 C ATOM 262 CD1 TRP B 15 5.889 -12.276 7.846 1.00 0.00 C ATOM 263 CD2 TRP B 15 6.289 -10.456 6.725 1.00 0.00 C ATOM 264 NE1 TRP B 15 7.248 -12.210 7.617 1.00 0.00 N ATOM 265 CE2 TRP B 15 7.493 -11.045 6.901 1.00 0.00 C ATOM 266 CE3 TRP B 15 6.187 -9.236 6.027 1.00 0.00 C ATOM 267 CZ2 TRP B 15 8.705 -10.529 6.430 1.00 0.00 C ATOM 268 CZ3 TRP B 15 7.400 -8.720 5.555 1.00 0.00 C ATOM 269 CH2 TRP B 15 8.638 -9.326 5.736 1.00 0.00 C ATOM 0 H TRP B 15 2.861 -9.761 4.880 1.00 0.00 H new ATOM 0 HA TRP B 15 3.288 -12.477 6.019 1.00 0.00 H new ATOM 0 HB2 TRP B 15 3.612 -9.838 7.424 1.00 0.00 H new ATOM 0 HB3 TRP B 15 3.320 -11.354 8.253 1.00 0.00 H new ATOM 0 HD1 TRP B 15 5.401 -13.077 8.382 1.00 0.00 H new ATOM 0 HE1 TRP B 15 7.945 -12.891 7.918 1.00 0.00 H new ATOM 0 HE3 TRP B 15 5.243 -8.736 5.868 1.00 0.00 H new ATOM 0 HZ2 TRP B 15 9.643 -11.038 6.597 1.00 0.00 H new ATOM 0 HZ3 TRP B 15 7.372 -7.786 5.013 1.00 0.00 H new ATOM 0 HH2 TRP B 15 9.534 -8.869 5.343 1.00 0.00 H new HETATM 270 CA ETA B 16 -0.544 -12.661 6.753 1.00 0.00 C HETATM 271 N ETA B 16 0.893 -12.557 6.557 1.00 0.00 N HETATM 272 CB ETA B 16 -0.895 -12.254 8.185 1.00 0.00 C HETATM 273 O ETA B 16 -2.304 -12.205 8.396 1.00 0.00 O HETATM 0 HO ETA B 16 -2.686 -11.463 7.882 1.00 0.00 H new HETATM 0 HB2 ETA B 16 -0.448 -12.962 8.883 1.00 0.00 H new HETATM 0 HB1 ETA B 16 -0.462 -11.277 8.401 1.00 0.00 H new HETATM 0 HA2 ETA B 16 -1.066 -12.019 6.043 1.00 0.00 H new HETATM 0 HA1 ETA B 16 -0.875 -13.682 6.563 1.00 0.00 H new TER 274 ETA B 16