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 -80:sc= 1.22 USER MOD Single : B 16 ETA O : rot -51:sc= 1.2 USER MOD ----------------------------------------------------------------- HETATM 1 C FVA A 1 -3.580 0.135 3.412 1.00 0.00 C HETATM 2 N FVA A 1 -2.327 -0.160 1.347 1.00 0.00 N HETATM 3 O FVA A 1 -3.927 -0.993 3.759 1.00 0.00 O HETATM 4 CA FVA A 1 -3.486 0.497 1.928 1.00 0.00 C HETATM 5 CB FVA A 1 -4.745 0.127 1.141 1.00 0.00 C HETATM 6 CG1 FVA A 1 -5.958 0.907 1.651 1.00 0.00 C HETATM 7 CG2 FVA A 1 -4.539 0.349 -0.359 1.00 0.00 C HETATM 8 O1 FVA A 1 -1.425 1.754 0.532 1.00 0.00 O HETATM 9 CN FVA A 1 -1.402 0.536 0.701 1.00 0.00 C HETATM 0 HG23 FVA A 1 -4.308 1.398 -0.543 1.00 0.00 H new HETATM 0 HG22 FVA A 1 -3.714 -0.271 -0.709 1.00 0.00 H new HETATM 0 HG21 FVA A 1 -5.449 0.078 -0.895 1.00 0.00 H new HETATM 0 HG13 FVA A 1 -6.123 0.676 2.703 1.00 0.00 H new HETATM 0 HG12 FVA A 1 -5.777 1.976 1.538 1.00 0.00 H new HETATM 0 HG11 FVA A 1 -6.840 0.626 1.075 1.00 0.00 H new HETATM 0 HN FVA A 1 -0.556 -0.013 0.288 1.00 0.00 H new HETATM 0 HB FVA A 1 -4.940 -0.934 1.298 1.00 0.00 H new HETATM 0 HA FVA A 1 -3.385 1.580 1.863 1.00 0.00 H new HETATM 0 H FVA A 1 -2.224 -1.171 1.438 1.00 0.00 H new ATOM 10 N GLY A 2 -3.266 1.113 4.248 1.00 0.00 N ATOM 11 CA GLY A 2 -3.312 0.912 5.686 1.00 0.00 C ATOM 12 C GLY A 2 -2.427 1.928 6.410 1.00 0.00 C ATOM 13 O GLY A 2 -2.915 2.951 6.890 1.00 0.00 O ATOM 0 H GLY A 2 -2.979 2.047 3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.340 1.004 6.037 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.983 -0.099 5.926 1.00 0.00 H new ATOM 14 N ALA A 3 -1.142 1.612 6.467 1.00 0.00 N ATOM 15 CA ALA A 3 -0.184 2.486 7.125 1.00 0.00 C ATOM 16 C ALA A 3 1.201 2.270 6.512 1.00 0.00 C ATOM 17 O ALA A 3 1.527 1.165 6.080 1.00 0.00 O ATOM 18 CB ALA A 3 -0.204 2.221 8.632 1.00 0.00 C ATOM 0 H ALA A 3 -0.741 0.763 6.069 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.451 3.532 6.975 1.00 0.00 H new ATOM 0 HB1 ALA A 3 0.514 2.876 9.126 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.203 2.417 9.023 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.062 1.181 8.822 1.00 0.00 H new HETATM 19 N DLE A 4 1.979 3.342 6.494 1.00 0.00 N HETATM 20 CA DLE A 4 3.322 3.284 5.942 1.00 0.00 C HETATM 21 CB DLE A 4 4.362 3.527 7.038 1.00 0.00 C HETATM 22 CG DLE A 4 5.770 3.232 6.514 1.00 0.00 C HETATM 23 CD1 DLE A 4 6.492 4.524 6.128 1.00 0.00 C HETATM 24 CD2 DLE A 4 6.568 2.408 7.525 1.00 0.00 C HETATM 25 C DLE A 4 3.428 4.257 4.766 1.00 0.00 C HETATM 26 O DLE A 4 3.043 5.419 4.882 1.00 0.00 O HETATM 0 HD23 DLE A 4 6.652 2.961 8.460 1.00 0.00 H new HETATM 0 HD22 DLE A 4 6.058 1.462 7.707 1.00 0.00 H new HETATM 0 HD21 DLE A 4 7.564 2.212 7.129 1.00 0.00 H new HETATM 0 HD13 DLE A 4 5.929 5.036 5.348 1.00 0.00 H new HETATM 0 HD12 DLE A 4 6.573 5.171 7.002 1.00 0.00 H new HETATM 0 HD11 DLE A 4 7.490 4.287 5.759 1.00 0.00 H new HETATM 0 HG DLE A 4 5.680 2.631 5.609 1.00 0.00 H new HETATM 0 HB3 DLE A 4 4.304 4.560 7.380 1.00 0.00 H new HETATM 0 HB2 DLE A 4 4.147 2.893 7.899 1.00 0.00 H new HETATM 0 HA DLE A 4 3.531 2.288 5.551 1.00 0.00 H new ATOM 27 N ALA A 5 3.951 3.746 3.662 1.00 0.00 N ATOM 28 CA ALA A 5 4.113 4.556 2.467 1.00 0.00 C ATOM 29 C ALA A 5 3.100 4.108 1.412 1.00 0.00 C ATOM 30 O ALA A 5 3.119 2.959 0.976 1.00 0.00 O ATOM 31 CB ALA A 5 5.557 4.450 1.970 1.00 0.00 C ATOM 0 H ALA A 5 4.268 2.781 3.570 1.00 0.00 H new ATOM 0 HA ALA A 5 3.919 5.606 2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.679 5.058 1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.236 4.807 2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.786 3.410 1.737 1.00 0.00 H new HETATM 32 N DVA A 6 2.237 5.040 1.033 1.00 0.00 N HETATM 33 CA DVA A 6 1.218 4.756 0.037 1.00 0.00 C HETATM 34 CB DVA A 6 1.708 5.177 -1.349 1.00 0.00 C HETATM 35 CG1 DVA A 6 2.978 4.418 -1.735 1.00 0.00 C HETATM 36 CG2 DVA A 6 0.612 4.985 -2.400 1.00 0.00 C HETATM 37 C DVA A 6 -0.090 5.440 0.443 1.00 0.00 C HETATM 38 O DVA A 6 -0.151 6.665 0.532 1.00 0.00 O HETATM 0 HG23 DVA A 6 0.322 3.935 -2.436 1.00 0.00 H new HETATM 0 HG22 DVA A 6 -0.255 5.591 -2.137 1.00 0.00 H new HETATM 0 HG21 DVA A 6 0.987 5.292 -3.377 1.00 0.00 H new HETATM 0 HG13 DVA A 6 3.763 4.628 -1.008 1.00 0.00 H new HETATM 0 HG12 DVA A 6 2.773 3.348 -1.747 1.00 0.00 H new HETATM 0 HG11 DVA A 6 3.305 4.736 -2.725 1.00 0.00 H new HETATM 0 HB DVA A 6 1.952 6.239 -1.310 1.00 0.00 H new HETATM 0 HA DVA A 6 1.023 3.685 -0.015 1.00 0.00 H new ATOM 39 N VAL A 7 -1.103 4.618 0.678 1.00 0.00 N ATOM 40 CA VAL A 7 -2.404 5.129 1.072 1.00 0.00 C ATOM 41 C VAL A 7 -2.688 4.728 2.521 1.00 0.00 C ATOM 42 O VAL A 7 -2.392 3.606 2.927 1.00 0.00 O ATOM 43 CB VAL A 7 -3.476 4.639 0.095 1.00 0.00 C ATOM 44 CG1 VAL A 7 -4.791 5.392 0.302 1.00 0.00 C ATOM 45 CG2 VAL A 7 -2.995 4.760 -1.352 1.00 0.00 C ATOM 0 H VAL A 7 -1.048 3.602 0.603 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.416 6.218 1.028 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.659 3.584 0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.536 5.025 -0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.146 5.231 1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.630 6.458 0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.775 4.405 -2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.770 5.803 -1.575 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.097 4.158 -1.488 1.00 0.00 H new HETATM 46 N DVA A 8 -3.258 5.667 3.260 1.00 0.00 N HETATM 47 CA DVA A 8 -3.585 5.427 4.656 1.00 0.00 C HETATM 48 CB DVA A 8 -5.096 5.251 4.815 1.00 0.00 C HETATM 49 CG1 DVA A 8 -5.565 3.935 4.190 1.00 0.00 C HETATM 50 CG2 DVA A 8 -5.505 5.334 6.288 1.00 0.00 C HETATM 51 C DVA A 8 -3.021 6.562 5.510 1.00 0.00 C HETATM 52 O DVA A 8 -3.112 7.730 5.135 1.00 0.00 O HETATM 0 HG23 DVA A 8 -5.000 4.548 6.851 1.00 0.00 H new HETATM 0 HG22 DVA A 8 -5.222 6.307 6.690 1.00 0.00 H new HETATM 0 HG21 DVA A 8 -6.584 5.206 6.374 1.00 0.00 H new HETATM 0 HG13 DVA A 8 -5.323 3.930 3.127 1.00 0.00 H new HETATM 0 HG12 DVA A 8 -5.063 3.100 4.680 1.00 0.00 H new HETATM 0 HG11 DVA A 8 -6.643 3.836 4.317 1.00 0.00 H new HETATM 0 HB DVA A 8 -5.586 6.067 4.283 1.00 0.00 H new HETATM 0 HA DVA A 8 -3.125 4.502 5.003 1.00 0.00 H new ATOM 53 N TRP A 9 -2.452 6.181 6.645 1.00 0.00 N ATOM 54 CA TRP A 9 -1.874 7.153 7.556 1.00 0.00 C ATOM 55 C TRP A 9 -0.379 6.850 7.684 1.00 0.00 C ATOM 56 O TRP A 9 0.004 5.739 8.045 1.00 0.00 O ATOM 57 CB TRP A 9 -2.602 7.145 8.901 1.00 0.00 C ATOM 58 CG TRP A 9 -1.861 7.885 10.015 1.00 0.00 C ATOM 59 CD1 TRP A 9 -1.880 9.197 10.290 1.00 0.00 C ATOM 60 CD2 TRP A 9 -0.990 7.344 11.001 1.00 0.00 C ATOM 61 NE1 TRP A 9 -1.082 9.499 11.374 1.00 0.00 N ATOM 62 CE2 TRP A 9 -0.520 8.309 11.821 1.00 0.00 C ATOM 63 CE3 TRP A 9 -0.605 6.001 11.186 1.00 0.00 C ATOM 64 CZ2 TRP A 9 0.358 8.086 12.889 1.00 0.00 C ATOM 65 CZ3 TRP A 9 0.272 5.778 12.253 1.00 0.00 C ATOM 66 CH2 TRP A 9 0.756 6.770 13.097 1.00 0.00 C ATOM 0 H TRP A 9 -2.379 5.212 6.954 1.00 0.00 H new ATOM 0 HA TRP A 9 -1.993 8.164 7.167 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -3.586 7.595 8.772 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -2.762 6.112 9.209 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -2.449 9.926 9.733 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -0.932 10.425 11.774 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -0.961 5.203 10.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.707 8.892 13.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.596 4.764 12.433 1.00 0.00 H new ATOM 0 HH2 TRP A 9 1.431 6.523 13.903 1.00 0.00 H new HETATM 67 N DLE A 10 0.425 7.859 7.381 1.00 0.00 N HETATM 68 CA DLE A 10 1.869 7.714 7.457 1.00 0.00 C HETATM 69 CB DLE A 10 2.342 7.824 8.908 1.00 0.00 C HETATM 70 CG DLE A 10 3.517 6.878 9.161 1.00 0.00 C HETATM 71 CD1 DLE A 10 4.747 7.302 8.355 1.00 0.00 C HETATM 72 CD2 DLE A 10 3.820 6.769 10.657 1.00 0.00 C HETATM 73 C DLE A 10 2.529 8.726 6.518 1.00 0.00 C HETATM 74 O DLE A 10 2.865 9.834 6.931 1.00 0.00 O HETATM 0 HD23 DLE A 10 4.073 7.754 11.050 1.00 0.00 H new HETATM 0 HD22 DLE A 10 2.943 6.385 11.179 1.00 0.00 H new HETATM 0 HD21 DLE A 10 4.659 6.091 10.810 1.00 0.00 H new HETATM 0 HD13 DLE A 10 4.509 7.286 7.292 1.00 0.00 H new HETATM 0 HD12 DLE A 10 5.042 8.310 8.645 1.00 0.00 H new HETATM 0 HD11 DLE A 10 5.568 6.613 8.554 1.00 0.00 H new HETATM 0 HG DLE A 10 3.235 5.883 8.816 1.00 0.00 H new HETATM 0 HB3 DLE A 10 2.641 8.850 9.123 1.00 0.00 H new HETATM 0 HB2 DLE A 10 1.521 7.583 9.584 1.00 0.00 H new HETATM 0 HA DLE A 10 2.171 6.722 7.121 1.00 0.00 H new ATOM 75 N TRP A 11 2.692 8.308 5.272 1.00 0.00 N ATOM 76 CA TRP A 11 3.306 9.164 4.270 1.00 0.00 C ATOM 77 C TRP A 11 2.749 8.766 2.902 1.00 0.00 C ATOM 78 O TRP A 11 2.297 7.636 2.717 1.00 0.00 O ATOM 79 CB TRP A 11 4.832 9.083 4.340 1.00 0.00 C ATOM 80 CG TRP A 11 5.445 9.889 5.488 1.00 0.00 C ATOM 81 CD1 TRP A 11 5.143 11.136 5.875 1.00 0.00 C ATOM 82 CD2 TRP A 11 6.467 9.490 6.392 1.00 0.00 C ATOM 83 NE1 TRP A 11 5.909 11.531 6.953 1.00 0.00 N ATOM 84 CE2 TRP A 11 6.751 10.472 7.275 1.00 0.00 C ATOM 85 CE3 TRP A 11 7.156 8.261 6.447 1.00 0.00 C ATOM 86 CZ2 TRP A 11 7.712 10.378 8.289 1.00 0.00 C ATOM 87 CZ3 TRP A 11 8.118 8.167 7.461 1.00 0.00 C ATOM 88 CH2 TRP A 11 8.409 9.177 8.369 1.00 0.00 C ATOM 0 H TRP A 11 2.410 7.388 4.933 1.00 0.00 H new ATOM 0 HA TRP A 11 3.061 10.210 4.455 1.00 0.00 H new ATOM 0 HB2 TRP A 11 5.126 8.039 4.445 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.248 9.438 3.397 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.394 11.754 5.403 1.00 0.00 H new ATOM 0 HE1 TRP A 11 5.866 12.433 7.426 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.957 7.453 5.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.902 11.193 8.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.673 7.244 7.542 1.00 0.00 H new ATOM 0 HH2 TRP A 11 9.165 9.032 9.126 1.00 0.00 H new HETATM 89 N DLE A 12 2.798 9.715 1.979 1.00 0.00 N HETATM 90 CA DLE A 12 2.305 9.477 0.633 1.00 0.00 C HETATM 91 CB DLE A 12 3.393 9.780 -0.398 1.00 0.00 C HETATM 92 CG DLE A 12 4.661 8.983 -0.090 1.00 0.00 C HETATM 93 CD1 DLE A 12 4.513 7.525 -0.531 1.00 0.00 C HETATM 94 CD2 DLE A 12 5.892 9.647 -0.710 1.00 0.00 C HETATM 95 C DLE A 12 1.016 10.274 0.419 1.00 0.00 C HETATM 96 O DLE A 12 1.062 11.475 0.157 1.00 0.00 O HETATM 0 HD23 DLE A 12 5.769 9.703 -1.792 1.00 0.00 H new HETATM 0 HD22 DLE A 12 6.005 10.653 -0.305 1.00 0.00 H new HETATM 0 HD21 DLE A 12 6.779 9.059 -0.475 1.00 0.00 H new HETATM 0 HD13 DLE A 12 3.676 7.068 -0.002 1.00 0.00 H new HETATM 0 HD12 DLE A 12 4.328 7.487 -1.605 1.00 0.00 H new HETATM 0 HD11 DLE A 12 5.429 6.980 -0.301 1.00 0.00 H new HETATM 0 HG DLE A 12 4.808 8.980 0.990 1.00 0.00 H new HETATM 0 HB3 DLE A 12 3.034 9.532 -1.397 1.00 0.00 H new HETATM 0 HB2 DLE A 12 3.617 10.847 -0.396 1.00 0.00 H new HETATM 0 HA DLE A 12 2.056 8.424 0.499 1.00 0.00 H new ATOM 97 N TRP A 13 -0.102 9.574 0.541 1.00 0.00 N ATOM 98 CA TRP A 13 -1.401 10.201 0.364 1.00 0.00 C ATOM 99 C TRP A 13 -2.286 9.795 1.543 1.00 0.00 C ATOM 100 O TRP A 13 -1.977 8.842 2.256 1.00 0.00 O ATOM 101 CB TRP A 13 -2.006 9.836 -0.993 1.00 0.00 C ATOM 102 CG TRP A 13 -1.280 10.458 -2.186 1.00 0.00 C ATOM 103 CD1 TRP A 13 -1.543 11.621 -2.798 1.00 0.00 C ATOM 104 CD2 TRP A 13 -0.168 9.940 -2.906 1.00 0.00 C ATOM 105 NE1 TRP A 13 -0.672 11.852 -3.843 1.00 0.00 N ATOM 106 CE2 TRP A 13 0.201 10.773 -3.902 1.00 0.00 C ATOM 107 CE3 TRP A 13 0.527 8.732 -2.692 1.00 0.00 C ATOM 108 CZ2 TRP A 13 1.263 10.536 -4.784 1.00 0.00 C ATOM 109 CZ3 TRP A 13 1.587 8.495 -3.573 1.00 0.00 C ATOM 110 CH2 TRP A 13 1.968 9.353 -4.599 1.00 0.00 C ATOM 0 H TRP A 13 -0.135 8.578 0.760 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.308 11.287 0.357 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -1.999 8.751 -1.102 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -3.049 10.152 -1.011 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.337 12.293 -2.509 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -0.670 12.665 -4.459 1.00 0.00 H new ATOM 0 HE3 TRP A 13 0.261 8.041 -1.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 1.520 11.235 -5.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.149 7.581 -3.448 1.00 0.00 H new ATOM 0 HH2 TRP A 13 2.799 9.104 -5.242 1.00 0.00 H new HETATM 111 N DLE A 14 -3.370 10.538 1.712 1.00 0.00 N HETATM 112 CA DLE A 14 -4.303 10.267 2.792 1.00 0.00 C HETATM 113 CB DLE A 14 -5.745 10.357 2.291 1.00 0.00 C HETATM 114 CG DLE A 14 -6.033 9.244 1.282 1.00 0.00 C HETATM 115 CD1 DLE A 14 -6.555 7.989 1.985 1.00 0.00 C HETATM 116 CD2 DLE A 14 -6.987 9.728 0.188 1.00 0.00 C HETATM 117 C DLE A 14 -4.002 11.200 3.967 1.00 0.00 C HETATM 118 O DLE A 14 -4.506 12.321 4.019 1.00 0.00 O HETATM 0 HD23 DLE A 14 -7.928 10.042 0.639 1.00 0.00 H new HETATM 0 HD22 DLE A 14 -6.538 10.570 -0.340 1.00 0.00 H new HETATM 0 HD21 DLE A 14 -7.175 8.917 -0.516 1.00 0.00 H new HETATM 0 HD13 DLE A 14 -5.809 7.633 2.695 1.00 0.00 H new HETATM 0 HD12 DLE A 14 -7.477 8.226 2.516 1.00 0.00 H new HETATM 0 HD11 DLE A 14 -6.752 7.213 1.245 1.00 0.00 H new HETATM 0 HG DLE A 14 -5.096 8.974 0.794 1.00 0.00 H new HETATM 0 HB3 DLE A 14 -6.434 10.280 3.132 1.00 0.00 H new HETATM 0 HB2 DLE A 14 -5.915 11.329 1.828 1.00 0.00 H new HETATM 0 HA DLE A 14 -4.179 9.246 3.154 1.00 0.00 H new HETATM 0 H DLE A 14 -3.719 10.750 0.778 1.00 0.00 H new ATOM 119 N TRP A 15 -3.180 10.703 4.880 1.00 0.00 N ATOM 120 CA TRP A 15 -2.805 11.479 6.050 1.00 0.00 C ATOM 121 C TRP A 15 -1.308 11.274 6.293 1.00 0.00 C ATOM 122 O TRP A 15 -0.801 10.161 6.161 1.00 0.00 O ATOM 123 CB TRP A 15 -3.665 11.100 7.258 1.00 0.00 C ATOM 124 CG TRP A 15 -5.144 11.458 7.106 1.00 0.00 C ATOM 125 CD1 TRP A 15 -5.755 12.602 7.440 1.00 0.00 C ATOM 126 CD2 TRP A 15 -6.192 10.655 6.576 1.00 0.00 C ATOM 127 NE1 TRP A 15 -7.104 12.559 7.154 1.00 0.00 N ATOM 128 CE2 TRP A 15 -7.372 11.311 6.603 1.00 0.00 C ATOM 129 CE3 TRP A 15 -6.117 9.342 6.067 1.00 0.00 C ATOM 130 CZ2 TRP A 15 -8.586 10.782 6.149 1.00 0.00 C ATOM 131 CZ3 TRP A 15 -7.331 8.813 5.614 1.00 0.00 C ATOM 132 CH2 TRP A 15 -8.546 9.488 5.641 1.00 0.00 C ATOM 0 H TRP A 15 -2.763 9.773 4.833 1.00 0.00 H new ATOM 0 HA TRP A 15 -2.988 12.541 5.884 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -3.577 10.027 7.431 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.270 11.599 8.143 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -5.254 13.452 7.879 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.780 13.305 7.317 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.192 8.786 6.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -9.505 11.348 6.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -7.323 7.809 5.215 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -9.445 9.015 5.273 1.00 0.00 H new HETATM 133 CA ETA A 16 0.784 12.319 6.908 1.00 0.00 C HETATM 134 N ETA A 16 -0.644 12.365 6.645 1.00 0.00 N HETATM 135 CB ETA A 16 1.025 11.825 8.336 1.00 0.00 C HETATM 136 O ETA A 16 2.413 11.753 8.649 1.00 0.00 O HETATM 0 HO ETA A 16 2.790 10.928 8.278 1.00 0.00 H new HETATM 0 HB2 ETA A 16 0.529 12.494 9.039 1.00 0.00 H new HETATM 0 HB1 ETA A 16 0.574 10.841 8.460 1.00 0.00 H new HETATM 0 HA2 ETA A 16 1.275 11.656 6.195 1.00 0.00 H new HETATM 0 HA1 ETA A 16 1.221 13.309 6.776 1.00 0.00 H new TER 137 ETA A 16 HETATM 138 C FVA B 1 3.539 -0.159 3.389 1.00 0.00 C HETATM 139 N FVA B 1 2.272 0.134 1.332 1.00 0.00 N HETATM 140 O FVA B 1 3.888 0.970 3.733 1.00 0.00 O HETATM 141 CA FVA B 1 3.435 -0.522 1.906 1.00 0.00 C HETATM 142 CB FVA B 1 4.689 -0.152 1.111 1.00 0.00 C HETATM 143 CG1 FVA B 1 5.905 -0.932 1.613 1.00 0.00 C HETATM 144 CG2 FVA B 1 4.474 -0.376 -0.387 1.00 0.00 C HETATM 145 O1 FVA B 1 1.365 -1.780 0.524 1.00 0.00 O HETATM 146 CN FVA B 1 1.344 -0.562 0.693 1.00 0.00 C HETATM 0 HG23 FVA B 1 4.242 -1.426 -0.568 1.00 0.00 H new HETATM 0 HG22 FVA B 1 3.646 0.243 -0.732 1.00 0.00 H new HETATM 0 HG21 FVA B 1 5.380 -0.105 -0.929 1.00 0.00 H new HETATM 0 HG13 FVA B 1 6.077 -0.701 2.664 1.00 0.00 H new HETATM 0 HG12 FVA B 1 5.723 -2.001 1.501 1.00 0.00 H new HETATM 0 HG11 FVA B 1 6.783 -0.651 1.032 1.00 0.00 H new HETATM 0 HN FVA B 1 0.496 -0.013 0.285 1.00 0.00 H new HETATM 0 HB FVA B 1 4.884 0.909 1.266 1.00 0.00 H new HETATM 0 HA FVA B 1 3.333 -1.605 1.842 1.00 0.00 H new HETATM 0 H FVA B 1 2.169 1.145 1.423 1.00 0.00 H new ATOM 147 N GLY B 2 3.230 -1.136 4.228 1.00 0.00 N ATOM 148 CA GLY B 2 3.285 -0.935 5.666 1.00 0.00 C ATOM 149 C GLY B 2 2.405 -1.950 6.396 1.00 0.00 C ATOM 150 O GLY B 2 2.896 -2.973 6.873 1.00 0.00 O ATOM 0 H GLY B 2 2.940 -2.070 3.939 1.00 0.00 H new ATOM 0 HA2 GLY B 2 4.315 -1.027 6.010 1.00 0.00 H new ATOM 0 HA3 GLY B 2 2.957 0.076 5.908 1.00 0.00 H new ATOM 151 N ALA B 3 1.120 -1.635 6.461 1.00 0.00 N ATOM 152 CA ALA B 3 0.167 -2.507 7.125 1.00 0.00 C ATOM 153 C ALA B 3 -1.222 -2.292 6.521 1.00 0.00 C ATOM 154 O ALA B 3 -1.551 -1.188 6.091 1.00 0.00 O ATOM 155 CB ALA B 3 0.196 -2.242 8.632 1.00 0.00 C ATOM 0 H ALA B 3 0.716 -0.787 6.064 1.00 0.00 H new ATOM 0 HA ALA B 3 0.433 -3.553 6.973 1.00 0.00 H new ATOM 0 HB1 ALA B 3 -0.519 -2.896 9.130 1.00 0.00 H new ATOM 0 HB2 ALA B 3 1.197 -2.438 9.017 1.00 0.00 H new ATOM 0 HB3 ALA B 3 -0.069 -1.202 8.824 1.00 0.00 H new HETATM 156 N DLE B 4 -2.000 -3.365 6.509 1.00 0.00 N HETATM 157 CA DLE B 4 -3.346 -3.306 5.966 1.00 0.00 C HETATM 158 CB DLE B 4 -4.379 -3.549 7.068 1.00 0.00 C HETATM 159 CG DLE B 4 -5.791 -3.255 6.553 1.00 0.00 C HETATM 160 CD1 DLE B 4 -6.516 -4.546 6.172 1.00 0.00 C HETATM 161 CD2 DLE B 4 -6.583 -2.429 7.569 1.00 0.00 C HETATM 162 C DLE B 4 -3.460 -4.281 4.791 1.00 0.00 C HETATM 163 O DLE B 4 -3.074 -5.443 4.905 1.00 0.00 O HETATM 0 HD23 DLE B 4 -6.660 -2.981 8.506 1.00 0.00 H new HETATM 0 HD22 DLE B 4 -6.072 -1.483 7.747 1.00 0.00 H new HETATM 0 HD21 DLE B 4 -7.582 -2.234 7.179 1.00 0.00 H new HETATM 0 HD13 DLE B 4 -5.958 -5.059 5.388 1.00 0.00 H new HETATM 0 HD12 DLE B 4 -6.591 -5.193 7.046 1.00 0.00 H new HETATM 0 HD11 DLE B 4 -7.516 -4.308 5.810 1.00 0.00 H new HETATM 0 HG DLE B 4 -5.707 -2.656 5.647 1.00 0.00 H new HETATM 0 HB3 DLE B 4 -4.318 -4.582 7.410 1.00 0.00 H new HETATM 0 HB2 DLE B 4 -4.159 -2.915 7.927 1.00 0.00 H new HETATM 0 HA DLE B 4 -3.557 -2.310 5.577 1.00 0.00 H new ATOM 164 N ALA B 5 -3.991 -3.770 3.690 1.00 0.00 N ATOM 165 CA ALA B 5 -4.160 -4.580 2.496 1.00 0.00 C ATOM 166 C ALA B 5 -3.154 -4.133 1.434 1.00 0.00 C ATOM 167 O ALA B 5 -3.176 -2.984 0.998 1.00 0.00 O ATOM 168 CB ALA B 5 -5.607 -4.475 2.008 1.00 0.00 C ATOM 0 H ALA B 5 -4.310 -2.805 3.600 1.00 0.00 H new ATOM 0 HA ALA B 5 -3.964 -5.630 2.715 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -5.734 -5.083 1.112 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -6.281 -4.832 2.787 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -5.838 -3.435 1.777 1.00 0.00 H new HETATM 169 N DVA B 6 -2.294 -5.065 1.051 1.00 0.00 N HETATM 170 CA DVA B 6 -1.281 -4.782 0.048 1.00 0.00 C HETATM 171 CB DVA B 6 -1.779 -5.204 -1.335 1.00 0.00 C HETATM 172 CG1 DVA B 6 -3.052 -4.446 -1.713 1.00 0.00 C HETATM 173 CG2 DVA B 6 -0.690 -5.013 -2.393 1.00 0.00 C HETATM 174 C DVA B 6 0.030 -5.466 0.446 1.00 0.00 C HETATM 175 O DVA B 6 0.092 -6.691 0.536 1.00 0.00 O HETATM 0 HG23 DVA B 6 -0.401 -3.963 -2.432 1.00 0.00 H new HETATM 0 HG22 DVA B 6 0.178 -5.619 -2.135 1.00 0.00 H new HETATM 0 HG21 DVA B 6 -1.071 -5.321 -3.367 1.00 0.00 H new HETATM 0 HG13 DVA B 6 -3.832 -4.657 -0.981 1.00 0.00 H new HETATM 0 HG12 DVA B 6 -2.847 -3.375 -1.727 1.00 0.00 H new HETATM 0 HG11 DVA B 6 -3.385 -4.764 -2.701 1.00 0.00 H new HETATM 0 HB DVA B 6 -2.022 -6.266 -1.294 1.00 0.00 H new HETATM 0 HA DVA B 6 -1.087 -3.711 -0.005 1.00 0.00 H new ATOM 176 N VAL B 7 1.044 -4.644 0.674 1.00 0.00 N ATOM 177 CA VAL B 7 2.348 -5.154 1.060 1.00 0.00 C ATOM 178 C VAL B 7 2.642 -4.753 2.507 1.00 0.00 C ATOM 179 O VAL B 7 2.348 -3.630 2.914 1.00 0.00 O ATOM 180 CB VAL B 7 3.413 -4.665 0.076 1.00 0.00 C ATOM 181 CG1 VAL B 7 4.730 -5.418 0.275 1.00 0.00 C ATOM 182 CG2 VAL B 7 2.923 -4.788 -1.368 1.00 0.00 C ATOM 0 H VAL B 7 0.988 -3.628 0.599 1.00 0.00 H new ATOM 0 HA VAL B 7 2.359 -6.243 1.017 1.00 0.00 H new ATOM 0 HB VAL B 7 3.597 -3.610 0.278 1.00 0.00 H new ATOM 0 HG11 VAL B 7 5.470 -5.051 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL B 7 5.092 -5.256 1.290 1.00 0.00 H new ATOM 0 HG13 VAL B 7 4.568 -6.484 0.113 1.00 0.00 H new ATOM 0 HG21 VAL B 7 3.699 -4.434 -2.047 1.00 0.00 H new ATOM 0 HG22 VAL B 7 2.697 -5.831 -1.588 1.00 0.00 H new ATOM 0 HG23 VAL B 7 2.024 -4.187 -1.499 1.00 0.00 H new HETATM 183 N DVA B 8 3.216 -5.691 3.243 1.00 0.00 N HETATM 184 CA DVA B 8 3.552 -5.450 4.636 1.00 0.00 C HETATM 185 CB DVA B 8 5.064 -5.274 4.786 1.00 0.00 C HETATM 186 CG1 DVA B 8 5.529 -3.959 4.157 1.00 0.00 C HETATM 187 CG2 DVA B 8 5.482 -5.357 6.256 1.00 0.00 C HETATM 188 C DVA B 8 2.994 -6.585 5.495 1.00 0.00 C HETATM 189 O DVA B 8 3.082 -7.754 5.120 1.00 0.00 O HETATM 0 HG23 DVA B 8 4.981 -4.572 6.822 1.00 0.00 H new HETATM 0 HG22 DVA B 8 5.202 -6.330 6.660 1.00 0.00 H new HETATM 0 HG21 DVA B 8 6.562 -5.229 6.335 1.00 0.00 H new HETATM 0 HG13 DVA B 8 5.281 -3.956 3.096 1.00 0.00 H new HETATM 0 HG12 DVA B 8 5.030 -3.124 4.649 1.00 0.00 H new HETATM 0 HG11 DVA B 8 6.608 -3.859 4.278 1.00 0.00 H new HETATM 0 HB DVA B 8 5.551 -6.090 4.252 1.00 0.00 H new HETATM 0 HA DVA B 8 3.094 -4.524 4.985 1.00 0.00 H new ATOM 190 N TRP B 9 2.431 -6.203 6.633 1.00 0.00 N ATOM 191 CA TRP B 9 1.859 -7.174 7.548 1.00 0.00 C ATOM 192 C TRP B 9 0.366 -6.871 7.686 1.00 0.00 C ATOM 193 O TRP B 9 -0.015 -5.760 8.049 1.00 0.00 O ATOM 194 CB TRP B 9 2.597 -7.165 8.889 1.00 0.00 C ATOM 195 CG TRP B 9 1.862 -7.905 10.008 1.00 0.00 C ATOM 196 CD1 TRP B 9 1.883 -9.217 10.284 1.00 0.00 C ATOM 197 CD2 TRP B 9 0.998 -7.364 10.999 1.00 0.00 C ATOM 198 NE1 TRP B 9 1.092 -9.518 11.373 1.00 0.00 N ATOM 199 CE2 TRP B 9 0.533 -8.328 11.823 1.00 0.00 C ATOM 200 CE3 TRP B 9 0.614 -6.020 11.186 1.00 0.00 C ATOM 201 CZ2 TRP B 9 -0.338 -8.104 12.896 1.00 0.00 C ATOM 202 CZ3 TRP B 9 -0.256 -5.796 12.258 1.00 0.00 C ATOM 203 CH2 TRP B 9 -0.735 -6.788 13.106 1.00 0.00 C ATOM 0 H TRP B 9 2.359 -5.233 6.941 1.00 0.00 H new ATOM 0 HA TRP B 9 1.975 -8.185 7.159 1.00 0.00 H new ATOM 0 HB2 TRP B 9 3.580 -7.616 8.754 1.00 0.00 H new ATOM 0 HB3 TRP B 9 2.759 -6.132 9.196 1.00 0.00 H new ATOM 0 HD1 TRP B 9 2.449 -9.947 9.724 1.00 0.00 H new ATOM 0 HE1 TRP B 9 0.944 -10.444 11.774 1.00 0.00 H new ATOM 0 HE3 TRP B 9 0.966 -5.222 10.548 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -0.683 -8.910 13.527 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -0.578 -4.781 12.440 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -1.405 -6.540 13.916 1.00 0.00 H new HETATM 204 N DLE B 10 -0.440 -7.880 7.389 1.00 0.00 N HETATM 205 CA DLE B 10 -1.884 -7.736 7.474 1.00 0.00 C HETATM 206 CB DLE B 10 -2.348 -7.845 8.928 1.00 0.00 C HETATM 207 CG DLE B 10 -3.521 -6.898 9.188 1.00 0.00 C HETATM 208 CD1 DLE B 10 -4.756 -7.323 8.390 1.00 0.00 C HETATM 209 CD2 DLE B 10 -3.815 -6.788 10.686 1.00 0.00 C HETATM 210 C DLE B 10 -2.550 -8.749 6.540 1.00 0.00 C HETATM 211 O DLE B 10 -2.884 -9.856 6.956 1.00 0.00 O HETATM 0 HD23 DLE B 10 -4.067 -7.772 11.081 1.00 0.00 H new HETATM 0 HD22 DLE B 10 -2.935 -6.404 11.202 1.00 0.00 H new HETATM 0 HD21 DLE B 10 -4.653 -6.109 10.843 1.00 0.00 H new HETATM 0 HD13 DLE B 10 -4.524 -7.308 7.325 1.00 0.00 H new HETATM 0 HD12 DLE B 10 -5.049 -8.331 8.683 1.00 0.00 H new HETATM 0 HD11 DLE B 10 -5.575 -6.633 8.593 1.00 0.00 H new HETATM 0 HG DLE B 10 -3.241 -5.903 8.841 1.00 0.00 H new HETATM 0 HB3 DLE B 10 -2.646 -8.871 9.145 1.00 0.00 H new HETATM 0 HB2 DLE B 10 -1.523 -7.604 9.598 1.00 0.00 H new HETATM 0 HA DLE B 10 -2.188 -6.744 7.139 1.00 0.00 H new ATOM 212 N TRP B 11 -2.721 -8.331 5.294 1.00 0.00 N ATOM 213 CA TRP B 11 -3.342 -9.188 4.297 1.00 0.00 C ATOM 214 C TRP B 11 -2.793 -8.790 2.925 1.00 0.00 C ATOM 215 O TRP B 11 -2.343 -7.661 2.737 1.00 0.00 O ATOM 216 CB TRP B 11 -4.867 -9.107 4.377 1.00 0.00 C ATOM 217 CG TRP B 11 -5.473 -9.912 5.529 1.00 0.00 C ATOM 218 CD1 TRP B 11 -5.168 -11.159 5.915 1.00 0.00 C ATOM 219 CD2 TRP B 11 -6.489 -9.512 6.440 1.00 0.00 C ATOM 220 NE1 TRP B 11 -5.927 -11.553 6.998 1.00 0.00 N ATOM 221 CE2 TRP B 11 -6.767 -10.494 7.325 1.00 0.00 C ATOM 222 CE3 TRP B 11 -7.178 -8.283 6.498 1.00 0.00 C ATOM 223 CZ2 TRP B 11 -7.721 -10.399 8.345 1.00 0.00 C ATOM 224 CZ3 TRP B 11 -8.133 -8.188 7.518 1.00 0.00 C ATOM 225 CH2 TRP B 11 -8.418 -9.198 8.429 1.00 0.00 C ATOM 0 H TRP B 11 -2.441 -7.412 4.952 1.00 0.00 H new ATOM 0 HA TRP B 11 -3.097 -10.234 4.481 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -5.160 -8.063 4.483 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -5.289 -9.462 3.437 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -4.422 -11.778 5.438 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -5.880 -12.455 7.472 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -6.984 -7.476 5.808 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -7.906 -11.214 9.029 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -8.687 -7.265 7.603 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -9.169 -9.053 9.191 1.00 0.00 H new HETATM 226 N DLE B 12 -2.849 -9.740 2.003 1.00 0.00 N HETATM 227 CA DLE B 12 -2.363 -9.503 0.654 1.00 0.00 C HETATM 228 CB DLE B 12 -3.458 -9.807 -0.370 1.00 0.00 C HETATM 229 CG DLE B 12 -4.724 -9.009 -0.054 1.00 0.00 C HETATM 230 CD1 DLE B 12 -4.579 -7.551 -0.497 1.00 0.00 C HETATM 231 CD2 DLE B 12 -5.959 -9.674 -0.666 1.00 0.00 C HETATM 232 C DLE B 12 -1.076 -10.300 0.432 1.00 0.00 C HETATM 233 O DLE B 12 -1.123 -11.501 0.171 1.00 0.00 O HETATM 0 HD23 DLE B 12 -5.843 -9.731 -1.748 1.00 0.00 H new HETATM 0 HD22 DLE B 12 -6.070 -10.679 -0.260 1.00 0.00 H new HETATM 0 HD21 DLE B 12 -6.845 -9.086 -0.426 1.00 0.00 H new HETATM 0 HD13 DLE B 12 -3.739 -7.094 0.025 1.00 0.00 H new HETATM 0 HD12 DLE B 12 -4.402 -7.513 -1.572 1.00 0.00 H new HETATM 0 HD11 DLE B 12 -5.493 -7.006 -0.261 1.00 0.00 H new HETATM 0 HG DLE B 12 -4.863 -9.004 1.027 1.00 0.00 H new HETATM 0 HB3 DLE B 12 -3.106 -9.560 -1.372 1.00 0.00 H new HETATM 0 HB2 DLE B 12 -3.683 -10.874 -0.365 1.00 0.00 H new HETATM 0 HA DLE B 12 -2.114 -8.451 0.518 1.00 0.00 H new ATOM 234 N TRP B 13 0.043 -9.600 0.547 1.00 0.00 N ATOM 235 CA TRP B 13 1.341 -10.227 0.362 1.00 0.00 C ATOM 236 C TRP B 13 2.233 -9.820 1.535 1.00 0.00 C ATOM 237 O TRP B 13 1.929 -8.867 2.249 1.00 0.00 O ATOM 238 CB TRP B 13 1.936 -9.863 -0.999 1.00 0.00 C ATOM 239 CG TRP B 13 1.203 -10.486 -2.188 1.00 0.00 C ATOM 240 CD1 TRP B 13 1.462 -11.649 -2.800 1.00 0.00 C ATOM 241 CD2 TRP B 13 0.087 -9.968 -2.900 1.00 0.00 C ATOM 242 NE1 TRP B 13 0.584 -11.881 -3.839 1.00 0.00 N ATOM 243 CE2 TRP B 13 -0.289 -10.801 -3.894 1.00 0.00 C ATOM 244 CE3 TRP B 13 -0.607 -8.760 -2.683 1.00 0.00 C ATOM 245 CZ2 TRP B 13 -1.356 -10.566 -4.769 1.00 0.00 C ATOM 246 CZ3 TRP B 13 -1.673 -8.524 -3.557 1.00 0.00 C ATOM 247 CH2 TRP B 13 -2.060 -9.382 -4.580 1.00 0.00 C ATOM 0 H TRP B 13 0.078 -8.604 0.766 1.00 0.00 H new ATOM 0 HA TRP B 13 1.249 -11.313 0.357 1.00 0.00 H new ATOM 0 HB2 TRP B 13 1.928 -8.779 -1.109 1.00 0.00 H new ATOM 0 HB3 TRP B 13 2.979 -10.178 -1.023 1.00 0.00 H new ATOM 0 HD1 TRP B 13 2.258 -12.321 -2.516 1.00 0.00 H new ATOM 0 HE1 TRP B 13 0.577 -12.695 -4.453 1.00 0.00 H new ATOM 0 HE3 TRP B 13 -0.335 -8.068 -1.900 1.00 0.00 H new ATOM 0 HZ2 TRP B 13 -1.618 -11.266 -5.548 1.00 0.00 H new ATOM 0 HZ3 TRP B 13 -2.235 -7.611 -3.428 1.00 0.00 H new ATOM 0 HH2 TRP B 13 -2.895 -9.133 -5.218 1.00 0.00 H new HETATM 248 N DLE B 14 3.318 -10.563 1.697 1.00 0.00 N HETATM 249 CA DLE B 14 4.258 -10.292 2.771 1.00 0.00 C HETATM 250 CB DLE B 14 5.697 -10.382 2.261 1.00 0.00 C HETATM 251 CG DLE B 14 5.978 -9.270 1.249 1.00 0.00 C HETATM 252 CD1 DLE B 14 6.504 -8.014 1.948 1.00 0.00 C HETATM 253 CD2 DLE B 14 6.925 -9.754 0.150 1.00 0.00 C HETATM 254 C DLE B 14 3.964 -11.224 3.949 1.00 0.00 C HETATM 255 O DLE B 14 4.469 -12.345 3.998 1.00 0.00 O HETATM 0 HD23 DLE B 14 7.869 -10.067 0.595 1.00 0.00 H new HETATM 0 HD22 DLE B 14 6.474 -10.597 -0.374 1.00 0.00 H new HETATM 0 HD21 DLE B 14 7.108 -8.944 -0.556 1.00 0.00 H new HETATM 0 HD13 DLE B 14 5.762 -7.657 2.662 1.00 0.00 H new HETATM 0 HD12 DLE B 14 7.429 -8.251 2.474 1.00 0.00 H new HETATM 0 HD11 DLE B 14 6.696 -7.238 1.207 1.00 0.00 H new HETATM 0 HG DLE B 14 5.038 -9.001 0.767 1.00 0.00 H new HETATM 0 HB3 DLE B 14 6.391 -10.304 3.098 1.00 0.00 H new HETATM 0 HB2 DLE B 14 5.865 -11.354 1.798 1.00 0.00 H new HETATM 0 HA DLE B 14 4.136 -9.271 3.133 1.00 0.00 H new HETATM 0 H DLE B 14 3.661 -10.776 0.760 1.00 0.00 H new ATOM 256 N TRP B 15 3.148 -10.726 4.866 1.00 0.00 N ATOM 257 CA TRP B 15 2.781 -11.501 6.039 1.00 0.00 C ATOM 258 C TRP B 15 1.286 -11.297 6.292 1.00 0.00 C ATOM 259 O TRP B 15 0.777 -10.184 6.162 1.00 0.00 O ATOM 260 CB TRP B 15 3.648 -11.121 7.242 1.00 0.00 C ATOM 261 CG TRP B 15 5.127 -11.480 7.080 1.00 0.00 C ATOM 262 CD1 TRP B 15 5.740 -12.624 7.411 1.00 0.00 C ATOM 263 CD2 TRP B 15 6.171 -10.677 6.543 1.00 0.00 C ATOM 264 NE1 TRP B 15 7.087 -12.581 7.116 1.00 0.00 N ATOM 265 CE2 TRP B 15 7.351 -11.333 6.563 1.00 0.00 C ATOM 266 CE3 TRP B 15 6.093 -9.365 6.034 1.00 0.00 C ATOM 267 CZ2 TRP B 15 8.562 -10.804 6.101 1.00 0.00 C ATOM 268 CZ3 TRP B 15 7.304 -8.836 5.573 1.00 0.00 C ATOM 269 CH2 TRP B 15 8.519 -9.511 5.592 1.00 0.00 C ATOM 0 H TRP B 15 2.731 -9.796 4.821 1.00 0.00 H new ATOM 0 HA TRP B 15 2.965 -12.562 5.872 1.00 0.00 H new ATOM 0 HB2 TRP B 15 3.562 -10.048 7.415 1.00 0.00 H new ATOM 0 HB3 TRP B 15 3.259 -11.619 8.130 1.00 0.00 H new ATOM 0 HD1 TRP B 15 5.242 -13.474 7.854 1.00 0.00 H new ATOM 0 HE1 TRP B 15 7.764 -13.327 7.274 1.00 0.00 H new ATOM 0 HE3 TRP B 15 5.168 -8.809 6.002 1.00 0.00 H new ATOM 0 HZ2 TRP B 15 9.481 -11.370 6.138 1.00 0.00 H new ATOM 0 HZ3 TRP B 15 7.294 -7.832 5.174 1.00 0.00 H new ATOM 0 HH2 TRP B 15 9.415 -9.039 5.217 1.00 0.00 H new HETATM 270 CA ETA B 16 -0.803 -12.341 6.921 1.00 0.00 C HETATM 271 N ETA B 16 0.624 -12.387 6.649 1.00 0.00 N HETATM 272 CB ETA B 16 -1.035 -11.846 8.350 1.00 0.00 C HETATM 273 O ETA B 16 -2.421 -11.774 8.672 1.00 0.00 O HETATM 0 HO ETA B 16 -2.892 -11.266 7.979 1.00 0.00 H new HETATM 0 HB2 ETA B 16 -0.534 -12.514 9.051 1.00 0.00 H new HETATM 0 HB1 ETA B 16 -0.583 -10.861 8.470 1.00 0.00 H new HETATM 0 HA2 ETA B 16 -1.298 -11.679 6.211 1.00 0.00 H new HETATM 0 HA1 ETA B 16 -1.241 -13.331 6.792 1.00 0.00 H new TER 274 ETA B 16