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= 1.28 USER MOD Single : B 16 ETA O : rot -56:sc= 1.29 USER MOD ----------------------------------------------------------------- HETATM 1 C FVA A 1 -3.451 0.088 3.147 1.00 0.00 C HETATM 2 N FVA A 1 -2.287 -0.142 1.022 1.00 0.00 N HETATM 3 O FVA A 1 -3.720 -1.072 3.455 1.00 0.00 O HETATM 4 CA FVA A 1 -3.408 0.510 1.677 1.00 0.00 C HETATM 5 CB FVA A 1 -4.705 0.198 0.927 1.00 0.00 C HETATM 6 CG1 FVA A 1 -5.878 0.990 1.508 1.00 0.00 C HETATM 7 CG2 FVA A 1 -4.550 0.465 -0.572 1.00 0.00 C HETATM 8 O1 FVA A 1 -1.287 1.795 0.401 1.00 0.00 O HETATM 9 CN FVA A 1 -1.328 0.567 0.444 1.00 0.00 C HETATM 0 HG23 FVA A 1 -4.299 1.514 -0.731 1.00 0.00 H new HETATM 0 HG22 FVA A 1 -3.755 -0.163 -0.973 1.00 0.00 H new HETATM 0 HG21 FVA A 1 -5.486 0.235 -1.081 1.00 0.00 H new HETATM 0 HG13 FVA A 1 -6.010 0.728 2.558 1.00 0.00 H new HETATM 0 HG12 FVA A 1 -5.674 2.057 1.424 1.00 0.00 H new HETATM 0 HG11 FVA A 1 -6.787 0.750 0.957 1.00 0.00 H new HETATM 0 HN FVA A 1 -0.513 0.019 -0.030 1.00 0.00 H new HETATM 0 HB FVA A 1 -4.921 -0.863 1.057 1.00 0.00 H new HETATM 0 HA FVA A 1 -3.287 1.593 1.654 1.00 0.00 H new HETATM 0 H FVA A 1 -2.237 -1.161 1.007 1.00 0.00 H new ATOM 10 N GLY A 2 -3.182 1.052 4.014 1.00 0.00 N ATOM 11 CA GLY A 2 -3.187 0.795 5.444 1.00 0.00 C ATOM 12 C GLY A 2 -2.411 1.877 6.198 1.00 0.00 C ATOM 13 O GLY A 2 -2.974 2.908 6.565 1.00 0.00 O ATOM 0 H GLY A 2 -2.959 2.013 3.754 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.214 0.759 5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.744 -0.181 5.643 1.00 0.00 H new ATOM 14 N ALA A 3 -1.131 1.606 6.408 1.00 0.00 N ATOM 15 CA ALA A 3 -0.273 2.543 7.111 1.00 0.00 C ATOM 16 C ALA A 3 1.176 2.332 6.668 1.00 0.00 C ATOM 17 O ALA A 3 1.544 1.242 6.234 1.00 0.00 O ATOM 18 CB ALA A 3 -0.452 2.366 8.620 1.00 0.00 C ATOM 0 H ALA A 3 -0.668 0.750 6.103 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.546 3.570 6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 3 0.192 3.069 9.148 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.492 2.555 8.888 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.184 1.348 8.901 1.00 0.00 H new HETATM 19 N DLE A 4 1.960 3.393 6.794 1.00 0.00 N HETATM 20 CA DLE A 4 3.361 3.338 6.412 1.00 0.00 C HETATM 21 CB DLE A 4 4.258 3.573 7.629 1.00 0.00 C HETATM 22 CG DLE A 4 5.732 3.561 7.218 1.00 0.00 C HETATM 23 CD1 DLE A 4 6.627 4.003 8.378 1.00 0.00 C HETATM 24 CD2 DLE A 4 6.137 2.191 6.670 1.00 0.00 C HETATM 25 C DLE A 4 3.612 4.320 5.265 1.00 0.00 C HETATM 26 O DLE A 4 3.536 5.533 5.454 1.00 0.00 O HETATM 0 HD23 DLE A 4 5.982 1.432 7.437 1.00 0.00 H new HETATM 0 HD22 DLE A 4 5.529 1.954 5.797 1.00 0.00 H new HETATM 0 HD21 DLE A 4 7.189 2.210 6.385 1.00 0.00 H new HETATM 0 HD13 DLE A 4 6.357 5.014 8.681 1.00 0.00 H new HETATM 0 HD12 DLE A 4 6.493 3.324 9.220 1.00 0.00 H new HETATM 0 HD11 DLE A 4 7.670 3.986 8.060 1.00 0.00 H new HETATM 0 HG DLE A 4 5.869 4.282 6.413 1.00 0.00 H new HETATM 0 HB3 DLE A 4 4.011 4.529 8.091 1.00 0.00 H new HETATM 0 HB2 DLE A 4 4.076 2.801 8.377 1.00 0.00 H new HETATM 0 HA DLE A 4 3.616 2.344 6.043 1.00 0.00 H new ATOM 27 N ALA A 5 3.905 3.758 4.101 1.00 0.00 N ATOM 28 CA ALA A 5 4.167 4.569 2.924 1.00 0.00 C ATOM 29 C ALA A 5 3.244 4.123 1.788 1.00 0.00 C ATOM 30 O ALA A 5 3.276 2.965 1.376 1.00 0.00 O ATOM 31 CB ALA A 5 5.646 4.462 2.550 1.00 0.00 C ATOM 0 H ALA A 5 3.967 2.751 3.948 1.00 0.00 H new ATOM 0 HA ALA A 5 3.957 5.619 3.126 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.843 5.070 1.667 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.258 4.817 3.379 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.893 3.422 2.337 1.00 0.00 H new HETATM 32 N DVA A 6 2.444 5.067 1.313 1.00 0.00 N HETATM 33 CA DVA A 6 1.515 4.786 0.232 1.00 0.00 C HETATM 34 CB DVA A 6 2.117 5.227 -1.103 1.00 0.00 C HETATM 35 CG1 DVA A 6 3.438 4.505 -1.375 1.00 0.00 C HETATM 36 CG2 DVA A 6 1.126 5.010 -2.249 1.00 0.00 C HETATM 37 C DVA A 6 0.172 5.456 0.533 1.00 0.00 C HETATM 38 O DVA A 6 0.092 6.680 0.625 1.00 0.00 O HETATM 0 HG23 DVA A 6 0.870 3.952 -2.313 1.00 0.00 H new HETATM 0 HG22 DVA A 6 0.223 5.591 -2.064 1.00 0.00 H new HETATM 0 HG21 DVA A 6 1.578 5.332 -3.187 1.00 0.00 H new HETATM 0 HG13 DVA A 6 4.148 4.733 -0.580 1.00 0.00 H new HETATM 0 HG12 DVA A 6 3.265 3.429 -1.409 1.00 0.00 H new HETATM 0 HG11 DVA A 6 3.844 4.837 -2.330 1.00 0.00 H new HETATM 0 HB DVA A 6 2.327 6.295 -1.039 1.00 0.00 H new HETATM 0 HA DVA A 6 1.333 3.714 0.153 1.00 0.00 H new ATOM 39 N VAL A 7 -0.848 4.623 0.678 1.00 0.00 N ATOM 40 CA VAL A 7 -2.183 5.120 0.967 1.00 0.00 C ATOM 41 C VAL A 7 -2.554 4.765 2.408 1.00 0.00 C ATOM 42 O VAL A 7 -2.341 3.636 2.848 1.00 0.00 O ATOM 43 CB VAL A 7 -3.178 4.571 -0.058 1.00 0.00 C ATOM 44 CG1 VAL A 7 -4.525 5.290 0.046 1.00 0.00 C ATOM 45 CG2 VAL A 7 -2.613 4.667 -1.477 1.00 0.00 C ATOM 0 H VAL A 7 -0.777 3.608 0.601 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.213 6.206 0.882 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.343 3.517 0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.214 4.881 -0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.938 5.147 1.045 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.384 6.355 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.340 4.270 -2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.405 5.710 -1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.691 4.089 -1.541 1.00 0.00 H new HETATM 46 N DVA A 8 -3.103 5.750 3.104 1.00 0.00 N HETATM 47 CA DVA A 8 -3.505 5.557 4.486 1.00 0.00 C HETATM 48 CB DVA A 8 -5.018 5.342 4.566 1.00 0.00 C HETATM 49 CG1 DVA A 8 -5.410 3.984 3.981 1.00 0.00 C HETATM 50 CG2 DVA A 8 -5.517 5.485 6.005 1.00 0.00 C HETATM 51 C DVA A 8 -3.025 6.744 5.324 1.00 0.00 C HETATM 52 O DVA A 8 -3.184 7.895 4.923 1.00 0.00 O HETATM 0 HG23 DVA A 8 -5.025 4.745 6.636 1.00 0.00 H new HETATM 0 HG22 DVA A 8 -5.287 6.485 6.372 1.00 0.00 H new HETATM 0 HG21 DVA A 8 -6.595 5.328 6.034 1.00 0.00 H new HETATM 0 HG13 DVA A 8 -5.105 3.936 2.936 1.00 0.00 H new HETATM 0 HG12 DVA A 8 -4.914 3.190 4.540 1.00 0.00 H new HETATM 0 HG11 DVA A 8 -6.490 3.856 4.050 1.00 0.00 H new HETATM 0 HB DVA A 8 -5.499 6.116 3.967 1.00 0.00 H new HETATM 0 HA DVA A 8 -3.040 4.661 4.897 1.00 0.00 H new ATOM 53 N TRP A 9 -2.448 6.422 6.472 1.00 0.00 N ATOM 54 CA TRP A 9 -1.944 7.447 7.370 1.00 0.00 C ATOM 55 C TRP A 9 -0.442 7.221 7.550 1.00 0.00 C ATOM 56 O TRP A 9 -0.005 6.098 7.801 1.00 0.00 O ATOM 57 CB TRP A 9 -2.712 7.444 8.693 1.00 0.00 C ATOM 58 CG TRP A 9 -2.052 8.270 9.798 1.00 0.00 C ATOM 59 CD1 TRP A 9 -2.232 9.568 10.078 1.00 0.00 C ATOM 60 CD2 TRP A 9 -1.104 7.841 10.767 1.00 0.00 C ATOM 61 NE1 TRP A 9 -1.462 9.966 11.152 1.00 0.00 N ATOM 62 CE2 TRP A 9 -0.745 8.856 11.583 1.00 0.00 C ATOM 63 CE3 TRP A 9 -0.548 6.557 10.939 1.00 0.00 C ATOM 64 CZ2 TRP A 9 0.171 8.743 12.635 1.00 0.00 C ATOM 65 CZ3 TRP A 9 0.368 6.445 11.991 1.00 0.00 C ATOM 66 CH2 TRP A 9 0.737 7.489 12.831 1.00 0.00 C ATOM 0 H TRP A 9 -2.318 5.465 6.801 1.00 0.00 H new ATOM 0 HA TRP A 9 -2.098 8.440 6.947 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -3.717 7.827 8.518 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -2.818 6.415 9.037 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -2.896 10.221 9.532 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -1.426 10.902 11.555 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -0.810 5.722 10.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.425 9.586 13.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.820 5.479 12.162 1.00 0.00 H new ATOM 0 HH2 TRP A 9 1.453 7.328 13.624 1.00 0.00 H new HETATM 67 N DLE A 10 0.308 8.305 7.416 1.00 0.00 N HETATM 68 CA DLE A 10 1.753 8.238 7.561 1.00 0.00 C HETATM 69 CB DLE A 10 2.157 8.484 9.016 1.00 0.00 C HETATM 70 CG DLE A 10 3.680 8.534 9.148 1.00 0.00 C HETATM 71 CD1 DLE A 10 4.095 9.099 10.507 1.00 0.00 C HETATM 72 CD2 DLE A 10 4.298 7.159 8.885 1.00 0.00 C HETATM 73 C DLE A 10 2.405 9.205 6.570 1.00 0.00 C HETATM 74 O DLE A 10 2.541 10.393 6.855 1.00 0.00 O HETATM 0 HD23 DLE A 10 3.908 6.441 9.606 1.00 0.00 H new HETATM 0 HD22 DLE A 10 4.045 6.833 7.876 1.00 0.00 H new HETATM 0 HD21 DLE A 10 5.382 7.222 8.985 1.00 0.00 H new HETATM 0 HD13 DLE A 10 3.702 10.110 10.616 1.00 0.00 H new HETATM 0 HD12 DLE A 10 3.697 8.467 11.301 1.00 0.00 H new HETATM 0 HD11 DLE A 10 5.183 9.123 10.574 1.00 0.00 H new HETATM 0 HG DLE A 10 4.067 9.212 8.387 1.00 0.00 H new HETATM 0 HB3 DLE A 10 1.725 9.421 9.366 1.00 0.00 H new HETATM 0 HB2 DLE A 10 1.757 7.692 9.650 1.00 0.00 H new HETATM 0 HA DLE A 10 2.115 7.239 7.318 1.00 0.00 H new ATOM 75 N TRP A 11 2.792 8.658 5.427 1.00 0.00 N ATOM 76 CA TRP A 11 3.428 9.457 4.393 1.00 0.00 C ATOM 77 C TRP A 11 2.915 8.968 3.036 1.00 0.00 C ATOM 78 O TRP A 11 2.497 7.819 2.904 1.00 0.00 O ATOM 79 CB TRP A 11 4.952 9.398 4.513 1.00 0.00 C ATOM 80 CG TRP A 11 5.496 9.987 5.816 1.00 0.00 C ATOM 81 CD1 TRP A 11 5.267 11.203 6.331 1.00 0.00 C ATOM 82 CD2 TRP A 11 6.363 9.375 6.761 1.00 0.00 C ATOM 83 NE1 TRP A 11 5.932 11.379 7.527 1.00 0.00 N ATOM 84 CE2 TRP A 11 6.629 10.206 7.792 1.00 0.00 C ATOM 85 CE3 TRP A 11 6.925 8.082 6.724 1.00 0.00 C ATOM 86 CZ2 TRP A 11 7.451 9.887 8.879 1.00 0.00 C ATOM 87 CZ3 TRP A 11 7.747 7.763 7.812 1.00 0.00 C ATOM 88 CH2 TRP A 11 8.021 8.619 8.872 1.00 0.00 C ATOM 0 H TRP A 11 2.678 7.672 5.194 1.00 0.00 H new ATOM 0 HA TRP A 11 3.169 10.510 4.505 1.00 0.00 H new ATOM 0 HB2 TRP A 11 5.273 8.359 4.434 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.394 9.933 3.672 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.641 11.951 5.868 1.00 0.00 H new ATOM 0 HE1 TRP A 11 5.915 12.216 8.110 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.736 7.390 5.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.633 10.588 9.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.200 6.783 7.828 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.667 8.304 9.678 1.00 0.00 H new HETATM 89 N DLE A 12 2.965 9.866 2.063 1.00 0.00 N HETATM 90 CA DLE A 12 2.511 9.540 0.721 1.00 0.00 C HETATM 91 CB DLE A 12 3.635 9.762 -0.293 1.00 0.00 C HETATM 92 CG DLE A 12 4.928 9.101 0.187 1.00 0.00 C HETATM 93 CD1 DLE A 12 4.843 7.578 0.065 1.00 0.00 C HETATM 94 CD2 DLE A 12 6.141 9.669 -0.552 1.00 0.00 C HETATM 95 C DLE A 12 1.239 10.332 0.412 1.00 0.00 C HETATM 96 O DLE A 12 1.303 11.522 0.105 1.00 0.00 O HETATM 0 HD23 DLE A 12 6.033 9.489 -1.622 1.00 0.00 H new HETATM 0 HD22 DLE A 12 6.209 10.742 -0.370 1.00 0.00 H new HETATM 0 HD21 DLE A 12 7.047 9.182 -0.192 1.00 0.00 H new HETATM 0 HD13 DLE A 12 4.016 7.210 0.672 1.00 0.00 H new HETATM 0 HD12 DLE A 12 4.677 7.305 -0.977 1.00 0.00 H new HETATM 0 HD11 DLE A 12 5.775 7.133 0.413 1.00 0.00 H new HETATM 0 HG DLE A 12 5.058 9.332 1.244 1.00 0.00 H new HETATM 0 HB3 DLE A 12 3.347 9.350 -1.260 1.00 0.00 H new HETATM 0 HB2 DLE A 12 3.797 10.830 -0.437 1.00 0.00 H new HETATM 0 HA DLE A 12 2.254 8.483 0.651 1.00 0.00 H new ATOM 97 N TRP A 13 0.113 9.641 0.503 1.00 0.00 N ATOM 98 CA TRP A 13 -1.172 10.264 0.236 1.00 0.00 C ATOM 99 C TRP A 13 -2.134 9.864 1.357 1.00 0.00 C ATOM 100 O TRP A 13 -1.873 8.914 2.094 1.00 0.00 O ATOM 101 CB TRP A 13 -1.686 9.889 -1.155 1.00 0.00 C ATOM 102 CG TRP A 13 -0.879 10.500 -2.302 1.00 0.00 C ATOM 103 CD1 TRP A 13 -1.087 11.667 -2.927 1.00 0.00 C ATOM 104 CD2 TRP A 13 0.264 9.963 -2.954 1.00 0.00 C ATOM 105 NE1 TRP A 13 -0.151 11.884 -3.917 1.00 0.00 N ATOM 106 CE2 TRP A 13 0.707 10.790 -3.926 1.00 0.00 C ATOM 107 CE3 TRP A 13 0.925 8.744 -2.700 1.00 0.00 C ATOM 108 CZ2 TRP A 13 1.815 10.537 -4.742 1.00 0.00 C ATOM 109 CZ3 TRP A 13 2.034 8.490 -3.516 1.00 0.00 C ATOM 110 CH2 TRP A 13 2.489 9.342 -4.516 1.00 0.00 C ATOM 0 H TRP A 13 0.064 8.655 0.758 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.079 11.350 0.228 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -1.675 8.804 -1.255 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.725 10.207 -1.245 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -1.887 12.352 -2.686 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -0.098 12.698 -4.530 1.00 0.00 H new ATOM 0 HE3 TRP A 13 0.600 8.057 -1.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 2.130 11.232 -5.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.574 7.568 -3.358 1.00 0.00 H new ATOM 0 HH2 TRP A 13 3.353 9.080 -5.108 1.00 0.00 H new HETATM 111 N DLE A 14 -3.226 10.609 1.451 1.00 0.00 N HETATM 112 CA DLE A 14 -4.227 10.343 2.470 1.00 0.00 C HETATM 113 CB DLE A 14 -5.630 10.364 1.860 1.00 0.00 C HETATM 114 CG DLE A 14 -5.805 9.202 0.879 1.00 0.00 C HETATM 115 CD1 DLE A 14 -6.370 7.968 1.586 1.00 0.00 C HETATM 116 CD2 DLE A 14 -6.661 9.620 -0.319 1.00 0.00 C HETATM 117 C DLE A 14 -4.046 11.329 3.626 1.00 0.00 C HETATM 118 O DLE A 14 -4.550 12.450 3.576 1.00 0.00 O HETATM 0 HD23 DLE A 14 -7.645 9.935 0.029 1.00 0.00 H new HETATM 0 HD22 DLE A 14 -6.179 10.447 -0.840 1.00 0.00 H new HETATM 0 HD21 DLE A 14 -6.770 8.776 -1.000 1.00 0.00 H new HETATM 0 HD13 DLE A 14 -5.687 7.658 2.377 1.00 0.00 H new HETATM 0 HD12 DLE A 14 -7.341 8.209 2.019 1.00 0.00 H new HETATM 0 HD11 DLE A 14 -6.485 7.157 0.867 1.00 0.00 H new HETATM 0 HG DLE A 14 -4.823 8.930 0.493 1.00 0.00 H new HETATM 0 HB3 DLE A 14 -6.378 10.296 2.650 1.00 0.00 H new HETATM 0 HB2 DLE A 14 -5.795 11.310 1.345 1.00 0.00 H new HETATM 0 HA DLE A 14 -4.096 9.342 2.880 1.00 0.00 H new HETATM 0 H DLE A 14 -3.512 10.776 0.486 1.00 0.00 H new ATOM 119 N TRP A 15 -3.325 10.875 4.640 1.00 0.00 N ATOM 120 CA TRP A 15 -3.071 11.703 5.807 1.00 0.00 C ATOM 121 C TRP A 15 -1.582 11.602 6.143 1.00 0.00 C ATOM 122 O TRP A 15 -0.998 10.521 6.077 1.00 0.00 O ATOM 123 CB TRP A 15 -3.975 11.299 6.973 1.00 0.00 C ATOM 124 CG TRP A 15 -5.460 11.587 6.738 1.00 0.00 C ATOM 125 CD1 TRP A 15 -6.141 12.702 7.036 1.00 0.00 C ATOM 126 CD2 TRP A 15 -6.437 10.736 6.154 1.00 0.00 C ATOM 127 NE1 TRP A 15 -7.469 12.594 6.675 1.00 0.00 N ATOM 128 CE2 TRP A 15 -7.646 11.335 6.113 1.00 0.00 C ATOM 129 CE3 TRP A 15 -6.272 9.428 5.654 1.00 0.00 C ATOM 130 CZ2 TRP A 15 -8.807 10.749 5.594 1.00 0.00 C ATOM 131 CZ3 TRP A 15 -7.433 8.842 5.135 1.00 0.00 C ATOM 132 CH2 TRP A 15 -8.678 9.459 5.093 1.00 0.00 C ATOM 0 H TRP A 15 -2.909 9.945 4.678 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.312 12.746 5.600 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -3.848 10.234 7.166 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.651 11.826 7.870 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -5.706 13.575 7.500 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -8.188 13.307 6.798 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.321 8.916 5.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -9.752 11.271 5.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -7.356 7.840 4.739 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -9.532 8.944 4.678 1.00 0.00 H new HETATM 133 CA ETA A 16 0.401 12.797 6.843 1.00 0.00 C HETATM 134 N ETA A 16 -1.009 12.743 6.497 1.00 0.00 N HETATM 135 CB ETA A 16 0.595 12.297 8.276 1.00 0.00 C HETATM 136 O ETA A 16 1.971 12.235 8.639 1.00 0.00 O HETATM 0 HO ETA A 16 2.453 11.671 7.999 1.00 0.00 H new HETATM 0 HB2 ETA A 16 0.068 12.957 8.965 1.00 0.00 H new HETATM 0 HB1 ETA A 16 0.148 11.308 8.378 1.00 0.00 H new HETATM 0 HA2 ETA A 16 0.980 12.185 6.151 1.00 0.00 H new HETATM 0 HA1 ETA A 16 0.770 13.818 6.750 1.00 0.00 H new TER 137 ETA A 16 HETATM 138 C FVA B 1 3.451 -0.088 3.147 1.00 0.00 C HETATM 139 N FVA B 1 2.287 0.142 1.022 1.00 0.00 N HETATM 140 O FVA B 1 3.720 1.072 3.455 1.00 0.00 O HETATM 141 CA FVA B 1 3.408 -0.510 1.677 1.00 0.00 C HETATM 142 CB FVA B 1 4.705 -0.198 0.927 1.00 0.00 C HETATM 143 CG1 FVA B 1 5.878 -0.990 1.508 1.00 0.00 C HETATM 144 CG2 FVA B 1 4.550 -0.465 -0.572 1.00 0.00 C HETATM 145 O1 FVA B 1 1.287 -1.795 0.401 1.00 0.00 O HETATM 146 CN FVA B 1 1.328 -0.567 0.444 1.00 0.00 C HETATM 0 HG23 FVA B 1 4.299 -1.514 -0.731 1.00 0.00 H new HETATM 0 HG22 FVA B 1 3.755 0.163 -0.973 1.00 0.00 H new HETATM 0 HG21 FVA B 1 5.486 -0.235 -1.081 1.00 0.00 H new HETATM 0 HG13 FVA B 1 6.010 -0.728 2.558 1.00 0.00 H new HETATM 0 HG12 FVA B 1 5.674 -2.057 1.424 1.00 0.00 H new HETATM 0 HG11 FVA B 1 6.787 -0.750 0.957 1.00 0.00 H new HETATM 0 HN FVA B 1 0.513 -0.019 -0.030 1.00 0.00 H new HETATM 0 HB FVA B 1 4.921 0.863 1.057 1.00 0.00 H new HETATM 0 HA FVA B 1 3.287 -1.593 1.654 1.00 0.00 H new HETATM 0 H FVA B 1 2.237 1.161 1.007 1.00 0.00 H new ATOM 147 N GLY B 2 3.182 -1.052 4.014 1.00 0.00 N ATOM 148 CA GLY B 2 3.187 -0.795 5.444 1.00 0.00 C ATOM 149 C GLY B 2 2.411 -1.877 6.198 1.00 0.00 C ATOM 150 O GLY B 2 2.974 -2.908 6.565 1.00 0.00 O ATOM 0 H GLY B 2 2.959 -2.013 3.754 1.00 0.00 H new ATOM 0 HA2 GLY B 2 4.214 -0.759 5.807 1.00 0.00 H new ATOM 0 HA3 GLY B 2 2.744 0.181 5.643 1.00 0.00 H new ATOM 151 N ALA B 3 1.131 -1.606 6.408 1.00 0.00 N ATOM 152 CA ALA B 3 0.273 -2.543 7.111 1.00 0.00 C ATOM 153 C ALA B 3 -1.176 -2.332 6.668 1.00 0.00 C ATOM 154 O ALA B 3 -1.544 -1.242 6.234 1.00 0.00 O ATOM 155 CB ALA B 3 0.452 -2.366 8.620 1.00 0.00 C ATOM 0 H ALA B 3 0.668 -0.750 6.103 1.00 0.00 H new ATOM 0 HA ALA B 3 0.546 -3.570 6.868 1.00 0.00 H new ATOM 0 HB1 ALA B 3 -0.192 -3.069 9.148 1.00 0.00 H new ATOM 0 HB2 ALA B 3 1.492 -2.555 8.888 1.00 0.00 H new ATOM 0 HB3 ALA B 3 0.184 -1.348 8.901 1.00 0.00 H new HETATM 156 N DLE B 4 -1.960 -3.393 6.794 1.00 0.00 N HETATM 157 CA DLE B 4 -3.361 -3.338 6.412 1.00 0.00 C HETATM 158 CB DLE B 4 -4.258 -3.573 7.629 1.00 0.00 C HETATM 159 CG DLE B 4 -5.732 -3.561 7.218 1.00 0.00 C HETATM 160 CD1 DLE B 4 -6.627 -4.003 8.378 1.00 0.00 C HETATM 161 CD2 DLE B 4 -6.137 -2.191 6.670 1.00 0.00 C HETATM 162 C DLE B 4 -3.612 -4.320 5.265 1.00 0.00 C HETATM 163 O DLE B 4 -3.536 -5.533 5.454 1.00 0.00 O HETATM 0 HD23 DLE B 4 -5.982 -1.432 7.437 1.00 0.00 H new HETATM 0 HD22 DLE B 4 -5.529 -1.954 5.797 1.00 0.00 H new HETATM 0 HD21 DLE B 4 -7.189 -2.210 6.385 1.00 0.00 H new HETATM 0 HD13 DLE B 4 -6.357 -5.014 8.681 1.00 0.00 H new HETATM 0 HD12 DLE B 4 -6.493 -3.324 9.220 1.00 0.00 H new HETATM 0 HD11 DLE B 4 -7.670 -3.986 8.060 1.00 0.00 H new HETATM 0 HG DLE B 4 -5.869 -4.282 6.413 1.00 0.00 H new HETATM 0 HB3 DLE B 4 -4.011 -4.529 8.091 1.00 0.00 H new HETATM 0 HB2 DLE B 4 -4.076 -2.801 8.377 1.00 0.00 H new HETATM 0 HA DLE B 4 -3.616 -2.344 6.043 1.00 0.00 H new ATOM 164 N ALA B 5 -3.905 -3.758 4.101 1.00 0.00 N ATOM 165 CA ALA B 5 -4.167 -4.569 2.924 1.00 0.00 C ATOM 166 C ALA B 5 -3.244 -4.123 1.788 1.00 0.00 C ATOM 167 O ALA B 5 -3.276 -2.965 1.376 1.00 0.00 O ATOM 168 CB ALA B 5 -5.646 -4.462 2.550 1.00 0.00 C ATOM 0 H ALA B 5 -3.967 -2.751 3.948 1.00 0.00 H new ATOM 0 HA ALA B 5 -3.957 -5.619 3.126 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -5.843 -5.070 1.667 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -6.258 -4.817 3.379 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -5.893 -3.422 2.337 1.00 0.00 H new HETATM 169 N DVA B 6 -2.444 -5.067 1.313 1.00 0.00 N HETATM 170 CA DVA B 6 -1.515 -4.786 0.232 1.00 0.00 C HETATM 171 CB DVA B 6 -2.117 -5.227 -1.103 1.00 0.00 C HETATM 172 CG1 DVA B 6 -3.438 -4.505 -1.375 1.00 0.00 C HETATM 173 CG2 DVA B 6 -1.126 -5.010 -2.249 1.00 0.00 C HETATM 174 C DVA B 6 -0.172 -5.456 0.533 1.00 0.00 C HETATM 175 O DVA B 6 -0.092 -6.680 0.625 1.00 0.00 O HETATM 0 HG23 DVA B 6 -0.870 -3.952 -2.313 1.00 0.00 H new HETATM 0 HG22 DVA B 6 -0.223 -5.591 -2.064 1.00 0.00 H new HETATM 0 HG21 DVA B 6 -1.578 -5.332 -3.187 1.00 0.00 H new HETATM 0 HG13 DVA B 6 -4.148 -4.733 -0.580 1.00 0.00 H new HETATM 0 HG12 DVA B 6 -3.265 -3.429 -1.409 1.00 0.00 H new HETATM 0 HG11 DVA B 6 -3.844 -4.837 -2.330 1.00 0.00 H new HETATM 0 HB DVA B 6 -2.327 -6.295 -1.039 1.00 0.00 H new HETATM 0 HA DVA B 6 -1.333 -3.714 0.153 1.00 0.00 H new ATOM 176 N VAL B 7 0.848 -4.623 0.678 1.00 0.00 N ATOM 177 CA VAL B 7 2.183 -5.120 0.967 1.00 0.00 C ATOM 178 C VAL B 7 2.554 -4.765 2.408 1.00 0.00 C ATOM 179 O VAL B 7 2.341 -3.636 2.848 1.00 0.00 O ATOM 180 CB VAL B 7 3.178 -4.571 -0.058 1.00 0.00 C ATOM 181 CG1 VAL B 7 4.525 -5.290 0.046 1.00 0.00 C ATOM 182 CG2 VAL B 7 2.613 -4.667 -1.477 1.00 0.00 C ATOM 0 H VAL B 7 0.777 -3.608 0.601 1.00 0.00 H new ATOM 0 HA VAL B 7 2.213 -6.206 0.882 1.00 0.00 H new ATOM 0 HB VAL B 7 3.343 -3.517 0.166 1.00 0.00 H new ATOM 0 HG11 VAL B 7 5.214 -4.881 -0.693 1.00 0.00 H new ATOM 0 HG12 VAL B 7 4.938 -5.147 1.045 1.00 0.00 H new ATOM 0 HG13 VAL B 7 4.384 -6.355 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL B 7 3.340 -4.270 -2.186 1.00 0.00 H new ATOM 0 HG22 VAL B 7 2.405 -5.710 -1.716 1.00 0.00 H new ATOM 0 HG23 VAL B 7 1.691 -4.089 -1.541 1.00 0.00 H new HETATM 183 N DVA B 8 3.103 -5.750 3.104 1.00 0.00 N HETATM 184 CA DVA B 8 3.505 -5.557 4.486 1.00 0.00 C HETATM 185 CB DVA B 8 5.018 -5.342 4.566 1.00 0.00 C HETATM 186 CG1 DVA B 8 5.410 -3.984 3.981 1.00 0.00 C HETATM 187 CG2 DVA B 8 5.517 -5.485 6.005 1.00 0.00 C HETATM 188 C DVA B 8 3.025 -6.744 5.324 1.00 0.00 C HETATM 189 O DVA B 8 3.184 -7.895 4.923 1.00 0.00 O HETATM 0 HG23 DVA B 8 5.025 -4.745 6.636 1.00 0.00 H new HETATM 0 HG22 DVA B 8 5.287 -6.485 6.372 1.00 0.00 H new HETATM 0 HG21 DVA B 8 6.595 -5.328 6.034 1.00 0.00 H new HETATM 0 HG13 DVA B 8 5.105 -3.936 2.936 1.00 0.00 H new HETATM 0 HG12 DVA B 8 4.914 -3.190 4.540 1.00 0.00 H new HETATM 0 HG11 DVA B 8 6.490 -3.856 4.050 1.00 0.00 H new HETATM 0 HB DVA B 8 5.499 -6.116 3.967 1.00 0.00 H new HETATM 0 HA DVA B 8 3.040 -4.661 4.897 1.00 0.00 H new ATOM 190 N TRP B 9 2.448 -6.422 6.472 1.00 0.00 N ATOM 191 CA TRP B 9 1.944 -7.447 7.370 1.00 0.00 C ATOM 192 C TRP B 9 0.442 -7.221 7.550 1.00 0.00 C ATOM 193 O TRP B 9 0.005 -6.098 7.801 1.00 0.00 O ATOM 194 CB TRP B 9 2.712 -7.444 8.693 1.00 0.00 C ATOM 195 CG TRP B 9 2.052 -8.270 9.798 1.00 0.00 C ATOM 196 CD1 TRP B 9 2.232 -9.568 10.078 1.00 0.00 C ATOM 197 CD2 TRP B 9 1.104 -7.841 10.767 1.00 0.00 C ATOM 198 NE1 TRP B 9 1.462 -9.966 11.152 1.00 0.00 N ATOM 199 CE2 TRP B 9 0.745 -8.856 11.583 1.00 0.00 C ATOM 200 CE3 TRP B 9 0.548 -6.557 10.939 1.00 0.00 C ATOM 201 CZ2 TRP B 9 -0.171 -8.743 12.635 1.00 0.00 C ATOM 202 CZ3 TRP B 9 -0.368 -6.445 11.991 1.00 0.00 C ATOM 203 CH2 TRP B 9 -0.737 -7.489 12.831 1.00 0.00 C ATOM 0 H TRP B 9 2.318 -5.465 6.801 1.00 0.00 H new ATOM 0 HA TRP B 9 2.098 -8.440 6.947 1.00 0.00 H new ATOM 0 HB2 TRP B 9 3.717 -7.827 8.518 1.00 0.00 H new ATOM 0 HB3 TRP B 9 2.818 -6.415 9.037 1.00 0.00 H new ATOM 0 HD1 TRP B 9 2.896 -10.221 9.532 1.00 0.00 H new ATOM 0 HE1 TRP B 9 1.426 -10.902 11.555 1.00 0.00 H new ATOM 0 HE3 TRP B 9 0.810 -5.722 10.306 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -0.425 -9.586 13.261 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -0.820 -5.479 12.162 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -1.453 -7.328 13.624 1.00 0.00 H new HETATM 204 N DLE B 10 -0.308 -8.305 7.416 1.00 0.00 N HETATM 205 CA DLE B 10 -1.753 -8.238 7.561 1.00 0.00 C HETATM 206 CB DLE B 10 -2.157 -8.484 9.016 1.00 0.00 C HETATM 207 CG DLE B 10 -3.680 -8.534 9.148 1.00 0.00 C HETATM 208 CD1 DLE B 10 -4.095 -9.099 10.507 1.00 0.00 C HETATM 209 CD2 DLE B 10 -4.298 -7.159 8.885 1.00 0.00 C HETATM 210 C DLE B 10 -2.405 -9.205 6.570 1.00 0.00 C HETATM 211 O DLE B 10 -2.541 -10.393 6.855 1.00 0.00 O HETATM 0 HD23 DLE B 10 -3.908 -6.441 9.606 1.00 0.00 H new HETATM 0 HD22 DLE B 10 -4.045 -6.833 7.876 1.00 0.00 H new HETATM 0 HD21 DLE B 10 -5.382 -7.222 8.985 1.00 0.00 H new HETATM 0 HD13 DLE B 10 -3.702 -10.110 10.616 1.00 0.00 H new HETATM 0 HD12 DLE B 10 -3.697 -8.467 11.301 1.00 0.00 H new HETATM 0 HD11 DLE B 10 -5.183 -9.123 10.574 1.00 0.00 H new HETATM 0 HG DLE B 10 -4.067 -9.212 8.387 1.00 0.00 H new HETATM 0 HB3 DLE B 10 -1.725 -9.421 9.366 1.00 0.00 H new HETATM 0 HB2 DLE B 10 -1.757 -7.692 9.650 1.00 0.00 H new HETATM 0 HA DLE B 10 -2.115 -7.239 7.318 1.00 0.00 H new ATOM 212 N TRP B 11 -2.792 -8.658 5.427 1.00 0.00 N ATOM 213 CA TRP B 11 -3.428 -9.457 4.393 1.00 0.00 C ATOM 214 C TRP B 11 -2.915 -8.968 3.036 1.00 0.00 C ATOM 215 O TRP B 11 -2.497 -7.819 2.904 1.00 0.00 O ATOM 216 CB TRP B 11 -4.952 -9.398 4.513 1.00 0.00 C ATOM 217 CG TRP B 11 -5.496 -9.987 5.816 1.00 0.00 C ATOM 218 CD1 TRP B 11 -5.267 -11.203 6.331 1.00 0.00 C ATOM 219 CD2 TRP B 11 -6.363 -9.375 6.761 1.00 0.00 C ATOM 220 NE1 TRP B 11 -5.932 -11.379 7.527 1.00 0.00 N ATOM 221 CE2 TRP B 11 -6.629 -10.206 7.792 1.00 0.00 C ATOM 222 CE3 TRP B 11 -6.925 -8.082 6.724 1.00 0.00 C ATOM 223 CZ2 TRP B 11 -7.451 -9.887 8.879 1.00 0.00 C ATOM 224 CZ3 TRP B 11 -7.747 -7.763 7.812 1.00 0.00 C ATOM 225 CH2 TRP B 11 -8.021 -8.619 8.872 1.00 0.00 C ATOM 0 H TRP B 11 -2.678 -7.672 5.194 1.00 0.00 H new ATOM 0 HA TRP B 11 -3.169 -10.510 4.505 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -5.273 -8.359 4.434 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -5.394 -9.933 3.672 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -4.641 -11.951 5.868 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -5.915 -12.216 8.110 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -6.736 -7.390 5.917 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -7.633 -10.588 9.680 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -8.200 -6.783 7.828 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -8.667 -8.304 9.678 1.00 0.00 H new HETATM 226 N DLE B 12 -2.965 -9.866 2.063 1.00 0.00 N HETATM 227 CA DLE B 12 -2.511 -9.540 0.721 1.00 0.00 C HETATM 228 CB DLE B 12 -3.635 -9.762 -0.293 1.00 0.00 C HETATM 229 CG DLE B 12 -4.928 -9.101 0.187 1.00 0.00 C HETATM 230 CD1 DLE B 12 -4.843 -7.578 0.065 1.00 0.00 C HETATM 231 CD2 DLE B 12 -6.141 -9.669 -0.552 1.00 0.00 C HETATM 232 C DLE B 12 -1.239 -10.332 0.412 1.00 0.00 C HETATM 233 O DLE B 12 -1.303 -11.522 0.105 1.00 0.00 O HETATM 0 HD23 DLE B 12 -6.033 -9.489 -1.622 1.00 0.00 H new HETATM 0 HD22 DLE B 12 -6.209 -10.742 -0.370 1.00 0.00 H new HETATM 0 HD21 DLE B 12 -7.047 -9.182 -0.192 1.00 0.00 H new HETATM 0 HD13 DLE B 12 -4.016 -7.210 0.672 1.00 0.00 H new HETATM 0 HD12 DLE B 12 -4.677 -7.305 -0.977 1.00 0.00 H new HETATM 0 HD11 DLE B 12 -5.775 -7.133 0.413 1.00 0.00 H new HETATM 0 HG DLE B 12 -5.058 -9.332 1.244 1.00 0.00 H new HETATM 0 HB3 DLE B 12 -3.347 -9.350 -1.260 1.00 0.00 H new HETATM 0 HB2 DLE B 12 -3.797 -10.830 -0.437 1.00 0.00 H new HETATM 0 HA DLE B 12 -2.254 -8.483 0.651 1.00 0.00 H new ATOM 234 N TRP B 13 -0.113 -9.641 0.503 1.00 0.00 N ATOM 235 CA TRP B 13 1.172 -10.264 0.236 1.00 0.00 C ATOM 236 C TRP B 13 2.134 -9.864 1.357 1.00 0.00 C ATOM 237 O TRP B 13 1.873 -8.914 2.094 1.00 0.00 O ATOM 238 CB TRP B 13 1.686 -9.889 -1.155 1.00 0.00 C ATOM 239 CG TRP B 13 0.879 -10.500 -2.302 1.00 0.00 C ATOM 240 CD1 TRP B 13 1.087 -11.667 -2.927 1.00 0.00 C ATOM 241 CD2 TRP B 13 -0.264 -9.963 -2.954 1.00 0.00 C ATOM 242 NE1 TRP B 13 0.151 -11.884 -3.917 1.00 0.00 N ATOM 243 CE2 TRP B 13 -0.707 -10.790 -3.926 1.00 0.00 C ATOM 244 CE3 TRP B 13 -0.925 -8.744 -2.700 1.00 0.00 C ATOM 245 CZ2 TRP B 13 -1.815 -10.537 -4.742 1.00 0.00 C ATOM 246 CZ3 TRP B 13 -2.034 -8.490 -3.516 1.00 0.00 C ATOM 247 CH2 TRP B 13 -2.489 -9.342 -4.516 1.00 0.00 C ATOM 0 H TRP B 13 -0.064 -8.655 0.758 1.00 0.00 H new ATOM 0 HA TRP B 13 1.079 -11.350 0.228 1.00 0.00 H new ATOM 0 HB2 TRP B 13 1.675 -8.804 -1.255 1.00 0.00 H new ATOM 0 HB3 TRP B 13 2.725 -10.207 -1.245 1.00 0.00 H new ATOM 0 HD1 TRP B 13 1.887 -12.352 -2.686 1.00 0.00 H new ATOM 0 HE1 TRP B 13 0.098 -12.698 -4.530 1.00 0.00 H new ATOM 0 HE3 TRP B 13 -0.600 -8.057 -1.933 1.00 0.00 H new ATOM 0 HZ2 TRP B 13 -2.130 -11.232 -5.506 1.00 0.00 H new ATOM 0 HZ3 TRP B 13 -2.574 -7.568 -3.358 1.00 0.00 H new ATOM 0 HH2 TRP B 13 -3.353 -9.080 -5.108 1.00 0.00 H new HETATM 248 N DLE B 14 3.226 -10.609 1.451 1.00 0.00 N HETATM 249 CA DLE B 14 4.227 -10.343 2.470 1.00 0.00 C HETATM 250 CB DLE B 14 5.630 -10.364 1.860 1.00 0.00 C HETATM 251 CG DLE B 14 5.805 -9.202 0.879 1.00 0.00 C HETATM 252 CD1 DLE B 14 6.370 -7.968 1.586 1.00 0.00 C HETATM 253 CD2 DLE B 14 6.661 -9.620 -0.319 1.00 0.00 C HETATM 254 C DLE B 14 4.046 -11.329 3.626 1.00 0.00 C HETATM 255 O DLE B 14 4.550 -12.450 3.576 1.00 0.00 O HETATM 0 HD23 DLE B 14 7.645 -9.935 0.029 1.00 0.00 H new HETATM 0 HD22 DLE B 14 6.179 -10.447 -0.840 1.00 0.00 H new HETATM 0 HD21 DLE B 14 6.770 -8.776 -1.000 1.00 0.00 H new HETATM 0 HD13 DLE B 14 5.687 -7.658 2.377 1.00 0.00 H new HETATM 0 HD12 DLE B 14 7.341 -8.209 2.019 1.00 0.00 H new HETATM 0 HD11 DLE B 14 6.485 -7.157 0.867 1.00 0.00 H new HETATM 0 HG DLE B 14 4.823 -8.930 0.493 1.00 0.00 H new HETATM 0 HB3 DLE B 14 6.378 -10.296 2.650 1.00 0.00 H new HETATM 0 HB2 DLE B 14 5.795 -11.310 1.345 1.00 0.00 H new HETATM 0 HA DLE B 14 4.096 -9.342 2.880 1.00 0.00 H new HETATM 0 H DLE B 14 3.512 -10.776 0.486 1.00 0.00 H new ATOM 256 N TRP B 15 3.325 -10.875 4.640 1.00 0.00 N ATOM 257 CA TRP B 15 3.071 -11.703 5.807 1.00 0.00 C ATOM 258 C TRP B 15 1.582 -11.602 6.143 1.00 0.00 C ATOM 259 O TRP B 15 0.998 -10.521 6.077 1.00 0.00 O ATOM 260 CB TRP B 15 3.975 -11.299 6.973 1.00 0.00 C ATOM 261 CG TRP B 15 5.460 -11.587 6.738 1.00 0.00 C ATOM 262 CD1 TRP B 15 6.141 -12.702 7.036 1.00 0.00 C ATOM 263 CD2 TRP B 15 6.437 -10.736 6.154 1.00 0.00 C ATOM 264 NE1 TRP B 15 7.469 -12.594 6.675 1.00 0.00 N ATOM 265 CE2 TRP B 15 7.646 -11.335 6.113 1.00 0.00 C ATOM 266 CE3 TRP B 15 6.272 -9.428 5.654 1.00 0.00 C ATOM 267 CZ2 TRP B 15 8.807 -10.749 5.594 1.00 0.00 C ATOM 268 CZ3 TRP B 15 7.433 -8.842 5.135 1.00 0.00 C ATOM 269 CH2 TRP B 15 8.678 -9.459 5.093 1.00 0.00 C ATOM 0 H TRP B 15 2.909 -9.945 4.678 1.00 0.00 H new ATOM 0 HA TRP B 15 3.312 -12.746 5.600 1.00 0.00 H new ATOM 0 HB2 TRP B 15 3.848 -10.234 7.166 1.00 0.00 H new ATOM 0 HB3 TRP B 15 3.651 -11.826 7.870 1.00 0.00 H new ATOM 0 HD1 TRP B 15 5.706 -13.575 7.500 1.00 0.00 H new ATOM 0 HE1 TRP B 15 8.188 -13.307 6.798 1.00 0.00 H new ATOM 0 HE3 TRP B 15 5.321 -8.916 5.670 1.00 0.00 H new ATOM 0 HZ2 TRP B 15 9.752 -11.271 5.584 1.00 0.00 H new ATOM 0 HZ3 TRP B 15 7.356 -7.840 4.739 1.00 0.00 H new ATOM 0 HH2 TRP B 15 9.532 -8.944 4.678 1.00 0.00 H new HETATM 270 CA ETA B 16 -0.401 -12.797 6.843 1.00 0.00 C HETATM 271 N ETA B 16 1.009 -12.743 6.497 1.00 0.00 N HETATM 272 CB ETA B 16 -0.595 -12.297 8.276 1.00 0.00 C HETATM 273 O ETA B 16 -1.971 -12.235 8.639 1.00 0.00 O HETATM 0 HO ETA B 16 -2.453 -11.671 7.999 1.00 0.00 H new HETATM 0 HB2 ETA B 16 -0.068 -12.957 8.965 1.00 0.00 H new HETATM 0 HB1 ETA B 16 -0.148 -11.308 8.378 1.00 0.00 H new HETATM 0 HA2 ETA B 16 -0.980 -12.185 6.151 1.00 0.00 H new HETATM 0 HA1 ETA B 16 -0.770 -13.818 6.750 1.00 0.00 H new TER 274 ETA B 16