USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, 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 14 DLE H : 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 14 DLE H : 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 -58:sc= 1.24 USER MOD Single : B 16 ETA O : rot -57:sc= 1.31 USER MOD ----------------------------------------------------------------- HETATM 1 C FVA A 1 -3.595 0.079 3.555 1.00 0.00 C HETATM 2 N FVA A 1 -2.330 -0.205 1.496 1.00 0.00 N HETATM 3 O FVA A 1 -3.911 -1.055 3.906 1.00 0.00 O HETATM 4 CA FVA A 1 -3.501 0.435 2.070 1.00 0.00 C HETATM 5 CB FVA A 1 -4.752 0.042 1.281 1.00 0.00 C HETATM 6 CG1 FVA A 1 -5.974 0.826 1.764 1.00 0.00 C HETATM 7 CG2 FVA A 1 -4.535 0.232 -0.221 1.00 0.00 C HETATM 8 O1 FVA A 1 -1.445 1.720 0.692 1.00 0.00 O HETATM 9 CN FVA A 1 -1.409 0.501 0.859 1.00 0.00 C HETATM 0 HG23 FVA A 1 -4.307 1.278 -0.426 1.00 0.00 H new HETATM 0 HG22 FVA A 1 -3.704 -0.392 -0.550 1.00 0.00 H new HETATM 0 HG21 FVA A 1 -5.439 -0.054 -0.758 1.00 0.00 H new HETATM 0 HG13 FVA A 1 -6.147 0.616 2.820 1.00 0.00 H new HETATM 0 HG12 FVA A 1 -5.798 1.893 1.630 1.00 0.00 H new HETATM 0 HG11 FVA A 1 -6.849 0.528 1.187 1.00 0.00 H new HETATM 0 HN FVA A 1 -0.554 -0.038 0.451 1.00 0.00 H new HETATM 0 HB FVA A 1 -4.942 -1.016 1.460 1.00 0.00 H new HETATM 0 HA FVA A 1 -3.416 1.519 2.000 1.00 0.00 H new HETATM 0 H FVA A 1 -2.216 -1.215 1.585 1.00 0.00 H new ATOM 10 N GLY A 2 -3.315 1.072 4.387 1.00 0.00 N ATOM 11 CA GLY A 2 -3.364 0.879 5.826 1.00 0.00 C ATOM 12 C GLY A 2 -2.503 1.917 6.549 1.00 0.00 C ATOM 13 O GLY A 2 -3.009 2.947 6.992 1.00 0.00 O ATOM 0 H GLY A 2 -3.053 2.013 4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.395 0.953 6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -3.016 -0.124 6.074 1.00 0.00 H new ATOM 14 N ALA A 3 -1.218 1.610 6.645 1.00 0.00 N ATOM 15 CA ALA A 3 -0.282 2.504 7.305 1.00 0.00 C ATOM 16 C ALA A 3 1.118 2.286 6.729 1.00 0.00 C ATOM 17 O ALA A 3 1.488 1.161 6.395 1.00 0.00 O ATOM 18 CB ALA A 3 -0.333 2.271 8.817 1.00 0.00 C ATOM 0 H ALA A 3 -0.803 0.754 6.277 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.554 3.544 7.126 1.00 0.00 H new ATOM 0 HB1 ALA A 3 0.369 2.942 9.312 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.341 2.468 9.182 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.063 1.238 9.035 1.00 0.00 H new HETATM 19 N DLE A 4 1.860 3.379 6.631 1.00 0.00 N HETATM 20 CA DLE A 4 3.212 3.322 6.101 1.00 0.00 C HETATM 21 CB DLE A 4 4.235 3.539 7.217 1.00 0.00 C HETATM 22 CG DLE A 4 5.653 3.290 6.701 1.00 0.00 C HETATM 23 CD1 DLE A 4 6.367 4.609 6.398 1.00 0.00 C HETATM 24 CD2 DLE A 4 6.446 2.419 7.676 1.00 0.00 C HETATM 25 C DLE A 4 3.344 4.316 4.945 1.00 0.00 C HETATM 26 O DLE A 4 3.076 5.504 5.109 1.00 0.00 O HETATM 0 HD23 DLE A 4 6.509 2.919 8.642 1.00 0.00 H new HETATM 0 HD22 DLE A 4 5.945 1.459 7.797 1.00 0.00 H new HETATM 0 HD21 DLE A 4 7.451 2.257 7.285 1.00 0.00 H new HETATM 0 HD13 DLE A 4 5.811 5.158 5.638 1.00 0.00 H new HETATM 0 HD12 DLE A 4 6.427 5.208 7.307 1.00 0.00 H new HETATM 0 HD11 DLE A 4 7.373 4.403 6.033 1.00 0.00 H new HETATM 0 HG DLE A 4 5.583 2.740 5.762 1.00 0.00 H new HETATM 0 HB3 DLE A 4 4.154 4.557 7.599 1.00 0.00 H new HETATM 0 HB2 DLE A 4 4.022 2.868 8.049 1.00 0.00 H new HETATM 0 HA DLE A 4 3.421 2.331 5.697 1.00 0.00 H new ATOM 27 N ALA A 5 3.758 3.791 3.801 1.00 0.00 N ATOM 28 CA ALA A 5 3.929 4.617 2.617 1.00 0.00 C ATOM 29 C ALA A 5 2.939 4.169 1.540 1.00 0.00 C ATOM 30 O ALA A 5 2.972 3.022 1.100 1.00 0.00 O ATOM 31 CB ALA A 5 5.381 4.534 2.143 1.00 0.00 C ATOM 0 H ALA A 5 3.980 2.804 3.669 1.00 0.00 H new ATOM 0 HA ALA A 5 3.718 5.662 2.845 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.510 5.153 1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.042 4.890 2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.627 3.500 1.903 1.00 0.00 H new HETATM 32 N DVA A 6 2.080 5.099 1.149 1.00 0.00 N HETATM 33 CA DVA A 6 1.082 4.815 0.132 1.00 0.00 C HETATM 34 CB DVA A 6 1.580 5.284 -1.237 1.00 0.00 C HETATM 35 CG1 DVA A 6 2.863 4.551 -1.635 1.00 0.00 C HETATM 36 CG2 DVA A 6 0.496 5.113 -2.303 1.00 0.00 C HETATM 37 C DVA A 6 -0.248 5.456 0.535 1.00 0.00 C HETATM 38 O DVA A 6 -0.349 6.677 0.629 1.00 0.00 O HETATM 0 HG23 DVA A 6 0.218 4.061 -2.374 1.00 0.00 H new HETATM 0 HG22 DVA A 6 -0.379 5.702 -2.029 1.00 0.00 H new HETATM 0 HG21 DVA A 6 0.876 5.454 -3.266 1.00 0.00 H new HETATM 0 HG13 DVA A 6 3.639 4.748 -0.895 1.00 0.00 H new HETATM 0 HG12 DVA A 6 2.670 3.479 -1.682 1.00 0.00 H new HETATM 0 HG11 DVA A 6 3.195 4.903 -2.612 1.00 0.00 H new HETATM 0 HB DVA A 6 1.812 6.347 -1.163 1.00 0.00 H new HETATM 0 HA DVA A 6 0.915 3.741 0.052 1.00 0.00 H new ATOM 39 N VAL A 7 -1.235 4.601 0.764 1.00 0.00 N ATOM 40 CA VAL A 7 -2.554 5.068 1.156 1.00 0.00 C ATOM 41 C VAL A 7 -2.807 4.698 2.618 1.00 0.00 C ATOM 42 O VAL A 7 -2.463 3.600 3.053 1.00 0.00 O ATOM 43 CB VAL A 7 -3.612 4.505 0.205 1.00 0.00 C ATOM 44 CG1 VAL A 7 -4.962 5.192 0.419 1.00 0.00 C ATOM 45 CG2 VAL A 7 -3.159 4.625 -1.252 1.00 0.00 C ATOM 0 H VAL A 7 -1.147 3.588 0.685 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.613 6.154 1.081 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.736 3.446 0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.696 4.774 -0.269 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.293 5.031 1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.859 6.261 0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.929 4.218 -1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.993 5.674 -1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.232 4.069 -1.392 1.00 0.00 H new HETATM 46 N DVA A 8 -3.408 5.635 3.337 1.00 0.00 N HETATM 47 CA DVA A 8 -3.713 5.421 4.742 1.00 0.00 C HETATM 48 CB DVA A 8 -5.212 5.179 4.922 1.00 0.00 C HETATM 49 CG1 DVA A 8 -5.618 3.813 4.366 1.00 0.00 C HETATM 50 CG2 DVA A 8 -5.618 5.317 6.390 1.00 0.00 C HETATM 51 C DVA A 8 -3.197 6.608 5.557 1.00 0.00 C HETATM 52 O DVA A 8 -3.535 7.756 5.271 1.00 0.00 O HETATM 0 HG23 DVA A 8 -5.072 4.587 6.989 1.00 0.00 H new HETATM 0 HG22 DVA A 8 -5.382 6.322 6.740 1.00 0.00 H new HETATM 0 HG21 DVA A 8 -6.689 5.140 6.490 1.00 0.00 H new HETATM 0 HG13 DVA A 8 -5.382 3.768 3.303 1.00 0.00 H new HETATM 0 HG12 DVA A 8 -5.072 3.029 4.892 1.00 0.00 H new HETATM 0 HG11 DVA A 8 -6.689 3.666 4.507 1.00 0.00 H new HETATM 0 HB DVA A 8 -5.744 5.943 4.355 1.00 0.00 H new HETATM 0 HA DVA A 8 -3.208 4.528 5.111 1.00 0.00 H new ATOM 53 N TRP A 9 -2.386 6.292 6.556 1.00 0.00 N ATOM 54 CA TRP A 9 -1.820 7.318 7.415 1.00 0.00 C ATOM 55 C TRP A 9 -0.305 7.108 7.467 1.00 0.00 C ATOM 56 O TRP A 9 0.164 5.987 7.660 1.00 0.00 O ATOM 57 CB TRP A 9 -2.475 7.298 8.797 1.00 0.00 C ATOM 58 CG TRP A 9 -1.741 8.137 9.845 1.00 0.00 C ATOM 59 CD1 TRP A 9 -1.921 9.432 10.140 1.00 0.00 C ATOM 60 CD2 TRP A 9 -0.709 7.727 10.733 1.00 0.00 C ATOM 61 NE1 TRP A 9 -1.073 9.845 11.147 1.00 0.00 N ATOM 62 CE2 TRP A 9 -0.304 8.748 11.518 1.00 0.00 C ATOM 63 CE3 TRP A 9 -0.119 6.453 10.860 1.00 0.00 C ATOM 64 CZ2 TRP A 9 0.697 8.654 12.492 1.00 0.00 C ATOM 65 CZ3 TRP A 9 0.882 6.358 11.833 1.00 0.00 C ATOM 66 CH2 TRP A 9 1.299 7.409 12.641 1.00 0.00 C ATOM 0 H TRP A 9 -2.107 5.339 6.790 1.00 0.00 H new ATOM 0 HA TRP A 9 -2.020 8.311 7.013 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -3.499 7.661 8.708 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -2.532 6.267 9.146 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -2.640 10.072 9.651 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -1.020 10.782 11.546 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -0.418 5.612 10.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.986 9.502 13.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 1.364 5.401 11.965 1.00 0.00 H new ATOM 0 HH2 TRP A 9 2.079 7.261 13.374 1.00 0.00 H new HETATM 67 N DLE A 10 0.419 8.204 7.292 1.00 0.00 N HETATM 68 CA DLE A 10 1.871 8.154 7.318 1.00 0.00 C HETATM 69 CB DLE A 10 2.390 8.384 8.738 1.00 0.00 C HETATM 70 CG DLE A 10 3.913 8.530 8.734 1.00 0.00 C HETATM 71 CD1 DLE A 10 4.417 9.056 10.080 1.00 0.00 C HETATM 72 CD2 DLE A 10 4.589 7.215 8.343 1.00 0.00 C HETATM 73 C DLE A 10 2.428 9.145 6.292 1.00 0.00 C HETATM 74 O DLE A 10 2.400 10.354 6.513 1.00 0.00 O HETATM 0 HD23 DLE A 10 4.315 6.438 9.057 1.00 0.00 H new HETATM 0 HD22 DLE A 10 4.264 6.921 7.345 1.00 0.00 H new HETATM 0 HD21 DLE A 10 5.671 7.347 8.348 1.00 0.00 H new HETATM 0 HD13 DLE A 10 3.973 10.031 10.279 1.00 0.00 H new HETATM 0 HD12 DLE A 10 4.135 8.361 10.871 1.00 0.00 H new HETATM 0 HD11 DLE A 10 5.502 9.151 10.050 1.00 0.00 H new HETATM 0 HG DLE A 10 4.183 9.268 7.978 1.00 0.00 H new HETATM 0 HB3 DLE A 10 1.934 9.281 9.158 1.00 0.00 H new HETATM 0 HB2 DLE A 10 2.100 7.550 9.377 1.00 0.00 H new HETATM 0 HA DLE A 10 2.224 7.163 7.031 1.00 0.00 H new ATOM 75 N TRP A 11 2.921 8.593 5.193 1.00 0.00 N ATOM 76 CA TRP A 11 3.484 9.412 4.133 1.00 0.00 C ATOM 77 C TRP A 11 2.866 8.961 2.807 1.00 0.00 C ATOM 78 O TRP A 11 2.395 7.830 2.692 1.00 0.00 O ATOM 79 CB TRP A 11 5.013 9.339 4.136 1.00 0.00 C ATOM 80 CG TRP A 11 5.658 9.862 5.421 1.00 0.00 C ATOM 81 CD1 TRP A 11 5.406 11.012 6.061 1.00 0.00 C ATOM 82 CD2 TRP A 11 6.662 9.244 6.214 1.00 0.00 C ATOM 83 NE1 TRP A 11 6.186 11.143 7.192 1.00 0.00 N ATOM 84 CE2 TRP A 11 6.985 10.008 7.279 1.00 0.00 C ATOM 85 CE3 TRP A 11 7.302 8.004 6.006 1.00 0.00 C ATOM 86 CZ2 TRP A 11 7.941 9.666 8.243 1.00 0.00 C ATOM 87 CZ3 TRP A 11 8.258 7.662 6.969 1.00 0.00 C ATOM 88 CH2 TRP A 11 8.590 8.449 8.066 1.00 0.00 C ATOM 0 H TRP A 11 2.942 7.589 5.014 1.00 0.00 H new ATOM 0 HA TRP A 11 3.243 10.463 4.289 1.00 0.00 H new ATOM 0 HB2 TRP A 11 5.317 8.303 3.984 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.396 9.911 3.291 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.683 11.744 5.733 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.178 11.928 7.844 1.00 0.00 H new ATOM 0 HE3 TRP A 11 7.071 7.366 5.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 8.162 10.313 9.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.774 6.721 6.852 1.00 0.00 H new ATOM 0 HH2 TRP A 11 9.340 8.120 8.770 1.00 0.00 H new HETATM 89 N DLE A 12 2.890 9.867 1.842 1.00 0.00 N HETATM 90 CA DLE A 12 2.338 9.576 0.529 1.00 0.00 C HETATM 91 CB DLE A 12 3.395 9.791 -0.556 1.00 0.00 C HETATM 92 CG DLE A 12 4.677 9.029 -0.214 1.00 0.00 C HETATM 93 CD1 DLE A 12 4.492 7.525 -0.421 1.00 0.00 C HETATM 94 CD2 DLE A 12 5.868 9.575 -1.005 1.00 0.00 C HETATM 95 C DLE A 12 1.067 10.402 0.320 1.00 0.00 C HETATM 96 O DLE A 12 1.135 11.556 -0.100 1.00 0.00 O HETATM 0 HD23 DLE A 12 5.674 9.471 -2.073 1.00 0.00 H new HETATM 0 HD22 DLE A 12 6.013 10.628 -0.764 1.00 0.00 H new HETATM 0 HD21 DLE A 12 6.766 9.016 -0.743 1.00 0.00 H new HETATM 0 HD13 DLE A 12 3.689 7.165 0.223 1.00 0.00 H new HETATM 0 HD12 DLE A 12 4.237 7.330 -1.463 1.00 0.00 H new HETATM 0 HD11 DLE A 12 5.418 7.007 -0.171 1.00 0.00 H new HETATM 0 HG DLE A 12 4.895 9.184 0.843 1.00 0.00 H new HETATM 0 HB3 DLE A 12 3.010 9.454 -1.519 1.00 0.00 H new HETATM 0 HB2 DLE A 12 3.612 10.855 -0.654 1.00 0.00 H new HETATM 0 HA DLE A 12 2.052 8.526 0.461 1.00 0.00 H new ATOM 97 N TRP A 13 -0.062 9.778 0.623 1.00 0.00 N ATOM 98 CA TRP A 13 -1.346 10.442 0.474 1.00 0.00 C ATOM 99 C TRP A 13 -2.250 9.984 1.621 1.00 0.00 C ATOM 100 O TRP A 13 -2.045 8.913 2.189 1.00 0.00 O ATOM 101 CB TRP A 13 -1.947 10.169 -0.906 1.00 0.00 C ATOM 102 CG TRP A 13 -1.155 10.783 -2.061 1.00 0.00 C ATOM 103 CD1 TRP A 13 -1.276 12.011 -2.584 1.00 0.00 C ATOM 104 CD2 TRP A 13 -0.120 10.186 -2.832 1.00 0.00 C ATOM 105 NE1 TRP A 13 -0.387 12.210 -3.621 1.00 0.00 N ATOM 106 CE2 TRP A 13 0.346 11.038 -3.770 1.00 0.00 C ATOM 107 CE3 TRP A 13 0.421 8.889 -2.714 1.00 0.00 C ATOM 108 CZ2 TRP A 13 1.365 10.737 -4.682 1.00 0.00 C ATOM 109 CZ3 TRP A 13 1.441 8.589 -3.625 1.00 0.00 C ATOM 110 CH2 TRP A 13 1.920 9.466 -4.591 1.00 0.00 C ATOM 0 H TRP A 13 -0.114 8.821 0.971 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.230 11.524 0.532 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.012 9.091 -1.056 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.965 10.557 -0.931 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -1.981 12.752 -2.237 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -0.286 13.060 -4.176 1.00 0.00 H new ATOM 0 HE3 TRP A 13 0.075 8.180 -1.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 1.702 11.454 -5.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.887 7.607 -3.573 1.00 0.00 H new ATOM 0 HH2 TRP A 13 2.712 9.164 -5.261 1.00 0.00 H new HETATM 111 N DLE A 14 -3.233 10.819 1.926 1.00 0.00 N HETATM 112 CA DLE A 14 -4.168 10.515 2.996 1.00 0.00 C HETATM 113 CB DLE A 14 -5.603 10.493 2.462 1.00 0.00 C HETATM 114 CG DLE A 14 -5.836 9.251 1.600 1.00 0.00 C HETATM 115 CD1 DLE A 14 -6.394 8.100 2.440 1.00 0.00 C HETATM 116 CD2 DLE A 14 -6.731 9.575 0.402 1.00 0.00 C HETATM 117 C DLE A 14 -3.957 11.496 4.150 1.00 0.00 C HETATM 118 O DLE A 14 -4.386 12.646 4.077 1.00 0.00 O HETATM 0 HD23 DLE A 14 -7.695 9.940 0.756 1.00 0.00 H new HETATM 0 HD22 DLE A 14 -6.256 10.341 -0.211 1.00 0.00 H new HETATM 0 HD21 DLE A 14 -6.881 8.675 -0.194 1.00 0.00 H new HETATM 0 HD13 DLE A 14 -5.686 7.850 3.230 1.00 0.00 H new HETATM 0 HD12 DLE A 14 -7.343 8.401 2.884 1.00 0.00 H new HETATM 0 HD11 DLE A 14 -6.551 7.229 1.804 1.00 0.00 H new HETATM 0 HG DLE A 14 -4.875 8.924 1.203 1.00 0.00 H new HETATM 0 HB3 DLE A 14 -6.307 10.502 3.294 1.00 0.00 H new HETATM 0 HB2 DLE A 14 -5.792 11.391 1.874 1.00 0.00 H new HETATM 0 HA DLE A 14 -3.982 9.516 3.391 1.00 0.00 H new ATOM 119 N TRP A 15 -3.294 11.006 5.187 1.00 0.00 N ATOM 120 CA TRP A 15 -3.020 11.827 6.354 1.00 0.00 C ATOM 121 C TRP A 15 -1.606 11.501 6.840 1.00 0.00 C ATOM 122 O TRP A 15 -1.000 10.529 6.391 1.00 0.00 O ATOM 123 CB TRP A 15 -4.086 11.619 7.433 1.00 0.00 C ATOM 124 CG TRP A 15 -5.514 11.885 6.956 1.00 0.00 C ATOM 125 CD1 TRP A 15 -6.165 13.056 6.907 1.00 0.00 C ATOM 126 CD2 TRP A 15 -6.463 10.949 6.459 1.00 0.00 C ATOM 127 NE1 TRP A 15 -7.445 12.904 6.417 1.00 0.00 N ATOM 128 CE2 TRP A 15 -7.624 11.555 6.134 1.00 0.00 C ATOM 129 CE3 TRP A 15 -6.312 9.557 6.289 1.00 0.00 C ATOM 130 CZ2 TRP A 15 -8.748 10.897 5.619 1.00 0.00 C ATOM 131 CZ3 TRP A 15 -7.435 8.900 5.774 1.00 0.00 C ATOM 132 CH2 TRP A 15 -8.631 9.524 5.439 1.00 0.00 C ATOM 0 H TRP A 15 -2.939 10.052 5.243 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.065 12.886 6.100 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.021 10.595 7.800 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.868 12.274 8.276 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -5.740 14.000 7.213 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -8.134 13.645 6.286 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.398 9.037 6.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -9.656 11.428 5.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -7.368 7.832 5.626 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -9.457 8.950 5.045 1.00 0.00 H new HETATM 133 CA ETA A 16 0.210 12.145 8.302 1.00 0.00 C HETATM 134 N ETA A 16 -1.122 12.332 7.751 1.00 0.00 N HETATM 135 CB ETA A 16 1.207 13.019 7.538 1.00 0.00 C HETATM 136 O ETA A 16 1.257 12.684 6.153 1.00 0.00 O HETATM 0 HO ETA A 16 1.505 11.741 6.053 1.00 0.00 H new HETATM 0 HB2 ETA A 16 0.929 14.067 7.648 1.00 0.00 H new HETATM 0 HB1 ETA A 16 2.199 12.905 7.975 1.00 0.00 H new HETATM 0 HA2 ETA A 16 0.217 12.407 9.360 1.00 0.00 H new HETATM 0 HA1 ETA A 16 0.500 11.097 8.231 1.00 0.00 H new TER 137 ETA A 16 HETATM 138 C FVA B 1 3.555 -0.104 3.532 1.00 0.00 C HETATM 139 N FVA B 1 2.276 0.179 1.481 1.00 0.00 N HETATM 140 O FVA B 1 3.873 1.031 3.880 1.00 0.00 O HETATM 141 CA FVA B 1 3.451 -0.461 2.047 1.00 0.00 C HETATM 142 CB FVA B 1 4.697 -0.068 1.250 1.00 0.00 C HETATM 143 CG1 FVA B 1 5.922 -0.852 1.725 1.00 0.00 C HETATM 144 CG2 FVA B 1 4.470 -0.260 -0.250 1.00 0.00 C HETATM 145 O1 FVA B 1 1.386 -1.747 0.684 1.00 0.00 O HETATM 146 CN FVA B 1 1.351 -0.528 0.850 1.00 0.00 C HETATM 0 HG23 FVA B 1 4.241 -1.306 -0.452 1.00 0.00 H new HETATM 0 HG22 FVA B 1 3.637 0.363 -0.575 1.00 0.00 H new HETATM 0 HG21 FVA B 1 5.370 0.026 -0.794 1.00 0.00 H new HETATM 0 HG13 FVA B 1 6.102 -0.643 2.779 1.00 0.00 H new HETATM 0 HG12 FVA B 1 5.745 -1.919 1.592 1.00 0.00 H new HETATM 0 HG11 FVA B 1 6.793 -0.554 1.142 1.00 0.00 H new HETATM 0 HN FVA B 1 0.493 0.011 0.447 1.00 0.00 H new HETATM 0 HB FVA B 1 4.889 0.990 1.427 1.00 0.00 H new HETATM 0 HA FVA B 1 3.366 -1.545 1.977 1.00 0.00 H new HETATM 0 H FVA B 1 2.162 1.189 1.571 1.00 0.00 H new ATOM 147 N GLY B 2 3.281 -1.096 4.366 1.00 0.00 N ATOM 148 CA GLY B 2 3.339 -0.902 5.805 1.00 0.00 C ATOM 149 C GLY B 2 2.482 -1.940 6.534 1.00 0.00 C ATOM 150 O GLY B 2 2.991 -2.970 6.974 1.00 0.00 O ATOM 0 H GLY B 2 3.018 -2.037 4.073 1.00 0.00 H new ATOM 0 HA2 GLY B 2 4.372 -0.976 6.144 1.00 0.00 H new ATOM 0 HA3 GLY B 2 2.992 0.101 6.055 1.00 0.00 H new ATOM 151 N ALA B 3 1.198 -1.633 6.638 1.00 0.00 N ATOM 152 CA ALA B 3 0.267 -2.527 7.305 1.00 0.00 C ATOM 153 C ALA B 3 -1.138 -2.309 6.738 1.00 0.00 C ATOM 154 O ALA B 3 -1.509 -1.185 6.406 1.00 0.00 O ATOM 155 CB ALA B 3 0.327 -2.293 8.816 1.00 0.00 C ATOM 0 H ALA B 3 0.780 -0.778 6.272 1.00 0.00 H new ATOM 0 HA ALA B 3 0.539 -3.567 7.125 1.00 0.00 H new ATOM 0 HB1 ALA B 3 -0.372 -2.964 9.316 1.00 0.00 H new ATOM 0 HB2 ALA B 3 1.338 -2.488 9.175 1.00 0.00 H new ATOM 0 HB3 ALA B 3 0.058 -1.260 9.035 1.00 0.00 H new HETATM 156 N DLE B 4 -1.880 -3.402 6.645 1.00 0.00 N HETATM 157 CA DLE B 4 -3.235 -3.345 6.124 1.00 0.00 C HETATM 158 CB DLE B 4 -4.251 -3.562 7.247 1.00 0.00 C HETATM 159 CG DLE B 4 -5.672 -3.313 6.740 1.00 0.00 C HETATM 160 CD1 DLE B 4 -6.388 -4.632 6.443 1.00 0.00 C HETATM 161 CD2 DLE B 4 -6.459 -2.441 7.720 1.00 0.00 C HETATM 162 C DLE B 4 -3.375 -4.340 4.970 1.00 0.00 C HETATM 163 O DLE B 4 -3.106 -5.528 5.133 1.00 0.00 O HETATM 0 HD23 DLE B 4 -6.516 -2.941 8.687 1.00 0.00 H new HETATM 0 HD22 DLE B 4 -5.957 -1.481 7.837 1.00 0.00 H new HETATM 0 HD21 DLE B 4 -7.466 -2.279 7.335 1.00 0.00 H new HETATM 0 HD13 DLE B 4 -5.837 -5.182 5.680 1.00 0.00 H new HETATM 0 HD12 DLE B 4 -6.442 -5.230 7.353 1.00 0.00 H new HETATM 0 HD11 DLE B 4 -7.396 -4.426 6.084 1.00 0.00 H new HETATM 0 HG DLE B 4 -5.608 -2.764 5.801 1.00 0.00 H new HETATM 0 HB3 DLE B 4 -4.168 -4.580 7.629 1.00 0.00 H new HETATM 0 HB2 DLE B 4 -4.032 -2.891 8.078 1.00 0.00 H new HETATM 0 HA DLE B 4 -3.446 -2.355 5.721 1.00 0.00 H new ATOM 164 N ALA B 5 -3.796 -3.816 3.828 1.00 0.00 N ATOM 165 CA ALA B 5 -3.975 -4.642 2.646 1.00 0.00 C ATOM 166 C ALA B 5 -2.992 -4.195 1.562 1.00 0.00 C ATOM 167 O ALA B 5 -3.028 -3.048 1.121 1.00 0.00 O ATOM 168 CB ALA B 5 -5.431 -4.560 2.181 1.00 0.00 C ATOM 0 H ALA B 5 -4.018 -2.829 3.696 1.00 0.00 H new ATOM 0 HA ALA B 5 -3.763 -5.687 2.873 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -5.565 -5.180 1.294 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -6.087 -4.916 2.975 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -5.679 -3.526 1.942 1.00 0.00 H new HETATM 169 N DVA B 6 -2.136 -5.126 1.166 1.00 0.00 N HETATM 170 CA DVA B 6 -1.144 -4.842 0.142 1.00 0.00 C HETATM 171 CB DVA B 6 -1.651 -5.312 -1.223 1.00 0.00 C HETATM 172 CG1 DVA B 6 -2.937 -4.579 -1.613 1.00 0.00 C HETATM 173 CG2 DVA B 6 -0.574 -5.141 -2.296 1.00 0.00 C HETATM 174 C DVA B 6 0.188 -5.482 0.537 1.00 0.00 C HETATM 175 O DVA B 6 0.290 -6.704 0.631 1.00 0.00 O HETATM 0 HG23 DVA B 6 -0.297 -4.089 -2.369 1.00 0.00 H new HETATM 0 HG22 DVA B 6 0.304 -5.729 -2.028 1.00 0.00 H new HETATM 0 HG21 DVA B 6 -0.960 -5.482 -3.257 1.00 0.00 H new HETATM 0 HG13 DVA B 6 -3.708 -4.775 -0.868 1.00 0.00 H new HETATM 0 HG12 DVA B 6 -2.744 -3.507 -1.662 1.00 0.00 H new HETATM 0 HG11 DVA B 6 -3.276 -4.932 -2.587 1.00 0.00 H new HETATM 0 HB DVA B 6 -1.882 -6.375 -1.147 1.00 0.00 H new HETATM 0 HA DVA B 6 -0.977 -3.768 0.060 1.00 0.00 H new ATOM 176 N VAL B 7 1.176 -4.627 0.759 1.00 0.00 N ATOM 177 CA VAL B 7 2.498 -5.094 1.143 1.00 0.00 C ATOM 178 C VAL B 7 2.761 -4.723 2.603 1.00 0.00 C ATOM 179 O VAL B 7 2.419 -3.626 3.039 1.00 0.00 O ATOM 180 CB VAL B 7 3.550 -4.532 0.184 1.00 0.00 C ATOM 181 CG1 VAL B 7 4.901 -5.219 0.390 1.00 0.00 C ATOM 182 CG2 VAL B 7 3.088 -4.653 -1.269 1.00 0.00 C ATOM 0 H VAL B 7 1.088 -3.614 0.680 1.00 0.00 H new ATOM 0 HA VAL B 7 2.556 -6.180 1.068 1.00 0.00 H new ATOM 0 HB VAL B 7 3.676 -3.473 0.407 1.00 0.00 H new ATOM 0 HG11 VAL B 7 5.631 -4.802 -0.304 1.00 0.00 H new ATOM 0 HG12 VAL B 7 5.239 -5.057 1.414 1.00 0.00 H new ATOM 0 HG13 VAL B 7 4.797 -6.288 0.207 1.00 0.00 H new ATOM 0 HG21 VAL B 7 3.854 -4.246 -1.929 1.00 0.00 H new ATOM 0 HG22 VAL B 7 2.920 -5.702 -1.511 1.00 0.00 H new ATOM 0 HG23 VAL B 7 2.160 -4.097 -1.403 1.00 0.00 H new HETATM 183 N DVA B 8 3.367 -5.660 3.318 1.00 0.00 N HETATM 184 CA DVA B 8 3.680 -5.446 4.721 1.00 0.00 C HETATM 185 CB DVA B 8 5.181 -5.203 4.891 1.00 0.00 C HETATM 186 CG1 DVA B 8 5.583 -3.837 4.332 1.00 0.00 C HETATM 187 CG2 DVA B 8 5.596 -5.340 6.357 1.00 0.00 C HETATM 188 C DVA B 8 3.170 -6.632 5.540 1.00 0.00 C HETATM 189 O DVA B 8 3.506 -7.780 5.253 1.00 0.00 O HETATM 0 HG23 DVA B 8 5.054 -4.610 6.958 1.00 0.00 H new HETATM 0 HG22 DVA B 8 5.363 -6.345 6.709 1.00 0.00 H new HETATM 0 HG21 DVA B 8 6.667 -5.162 6.450 1.00 0.00 H new HETATM 0 HG13 DVA B 8 5.340 -3.793 3.270 1.00 0.00 H new HETATM 0 HG12 DVA B 8 5.041 -3.053 4.861 1.00 0.00 H new HETATM 0 HG11 DVA B 8 6.655 -3.690 4.466 1.00 0.00 H new HETATM 0 HB DVA B 8 5.710 -5.966 4.321 1.00 0.00 H new HETATM 0 HA DVA B 8 3.176 -4.554 5.093 1.00 0.00 H new ATOM 190 N TRP B 9 2.365 -6.315 6.544 1.00 0.00 N ATOM 191 CA TRP B 9 1.805 -7.341 7.408 1.00 0.00 C ATOM 192 C TRP B 9 0.290 -7.131 7.470 1.00 0.00 C ATOM 193 O TRP B 9 -0.177 -6.010 7.665 1.00 0.00 O ATOM 194 CB TRP B 9 2.469 -7.320 8.785 1.00 0.00 C ATOM 195 CG TRP B 9 1.742 -8.158 9.839 1.00 0.00 C ATOM 196 CD1 TRP B 9 1.924 -9.452 10.133 1.00 0.00 C ATOM 197 CD2 TRP B 9 0.716 -7.748 10.733 1.00 0.00 C ATOM 198 NE1 TRP B 9 1.083 -9.865 11.146 1.00 0.00 N ATOM 199 CE2 TRP B 9 0.316 -8.768 11.521 1.00 0.00 C ATOM 200 CE3 TRP B 9 0.127 -6.473 10.863 1.00 0.00 C ATOM 201 CZ2 TRP B 9 -0.679 -8.673 12.502 1.00 0.00 C ATOM 202 CZ3 TRP B 9 -0.868 -6.378 11.843 1.00 0.00 C ATOM 203 CH2 TRP B 9 -1.280 -7.428 12.654 1.00 0.00 C ATOM 0 H TRP B 9 2.087 -5.362 6.778 1.00 0.00 H new ATOM 0 HA TRP B 9 2.002 -8.335 7.006 1.00 0.00 H new ATOM 0 HB2 TRP B 9 3.492 -7.683 8.689 1.00 0.00 H new ATOM 0 HB3 TRP B 9 2.528 -6.289 9.133 1.00 0.00 H new ATOM 0 HD1 TRP B 9 2.640 -10.092 9.639 1.00 0.00 H new ATOM 0 HE1 TRP B 9 1.033 -10.802 11.546 1.00 0.00 H new ATOM 0 HE3 TRP B 9 0.422 -5.633 10.252 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -0.964 -9.521 13.108 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -1.349 -5.421 11.978 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -2.055 -7.280 13.391 1.00 0.00 H new HETATM 204 N DLE B 10 -0.434 -8.227 7.300 1.00 0.00 N HETATM 205 CA DLE B 10 -1.886 -8.177 7.335 1.00 0.00 C HETATM 206 CB DLE B 10 -2.396 -8.406 8.759 1.00 0.00 C HETATM 207 CG DLE B 10 -3.919 -8.552 8.765 1.00 0.00 C HETATM 208 CD1 DLE B 10 -4.414 -9.077 10.115 1.00 0.00 C HETATM 209 CD2 DLE B 10 -4.597 -7.237 8.378 1.00 0.00 C HETATM 210 C DLE B 10 -2.450 -9.168 6.314 1.00 0.00 C HETATM 211 O DLE B 10 -2.421 -10.377 6.535 1.00 0.00 O HETATM 0 HD23 DLE B 10 -4.318 -6.460 9.090 1.00 0.00 H new HETATM 0 HD22 DLE B 10 -4.278 -6.944 7.378 1.00 0.00 H new HETATM 0 HD21 DLE B 10 -5.679 -7.368 8.390 1.00 0.00 H new HETATM 0 HD13 DLE B 10 -3.969 -10.052 10.312 1.00 0.00 H new HETATM 0 HD12 DLE B 10 -4.127 -8.381 10.903 1.00 0.00 H new HETATM 0 HD11 DLE B 10 -5.500 -9.172 10.093 1.00 0.00 H new HETATM 0 HG DLE B 10 -4.195 -9.290 8.012 1.00 0.00 H new HETATM 0 HB3 DLE B 10 -1.937 -9.302 9.176 1.00 0.00 H new HETATM 0 HB2 DLE B 10 -2.102 -7.571 9.396 1.00 0.00 H new HETATM 0 HA DLE B 10 -2.240 -7.186 7.049 1.00 0.00 H new ATOM 212 N TRP B 11 -2.950 -8.617 5.218 1.00 0.00 N ATOM 213 CA TRP B 11 -3.520 -9.437 4.162 1.00 0.00 C ATOM 214 C TRP B 11 -2.911 -8.986 2.832 1.00 0.00 C ATOM 215 O TRP B 11 -2.441 -7.856 2.713 1.00 0.00 O ATOM 216 CB TRP B 11 -5.049 -9.363 4.175 1.00 0.00 C ATOM 217 CG TRP B 11 -5.685 -9.886 5.464 1.00 0.00 C ATOM 218 CD1 TRP B 11 -5.430 -11.035 6.103 1.00 0.00 C ATOM 219 CD2 TRP B 11 -6.685 -9.267 6.263 1.00 0.00 C ATOM 220 NE1 TRP B 11 -6.203 -11.165 7.239 1.00 0.00 N ATOM 221 CE2 TRP B 11 -7.000 -10.031 7.331 1.00 0.00 C ATOM 222 CE3 TRP B 11 -7.326 -8.027 6.059 1.00 0.00 C ATOM 223 CZ2 TRP B 11 -7.950 -9.688 8.301 1.00 0.00 C ATOM 224 CZ3 TRP B 11 -8.276 -7.685 7.028 1.00 0.00 C ATOM 225 CH2 TRP B 11 -8.600 -8.471 8.127 1.00 0.00 C ATOM 0 H TRP B 11 -2.972 -7.613 5.038 1.00 0.00 H new ATOM 0 HA TRP B 11 -3.278 -10.488 4.317 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -5.354 -8.327 4.026 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -5.438 -9.934 3.332 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -4.710 -11.768 5.771 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -6.191 -11.949 7.891 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -7.100 -7.389 5.217 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -8.166 -10.334 9.139 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -8.794 -6.744 6.914 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -9.346 -8.142 8.836 1.00 0.00 H new HETATM 226 N DLE B 12 -2.941 -9.893 1.867 1.00 0.00 N HETATM 227 CA DLE B 12 -2.398 -9.603 0.550 1.00 0.00 C HETATM 228 CB DLE B 12 -3.462 -9.819 -0.527 1.00 0.00 C HETATM 229 CG DLE B 12 -4.741 -9.056 -0.177 1.00 0.00 C HETATM 230 CD1 DLE B 12 -4.559 -7.552 -0.386 1.00 0.00 C HETATM 231 CD2 DLE B 12 -5.937 -9.603 -0.960 1.00 0.00 C HETATM 232 C DLE B 12 -1.128 -10.429 0.334 1.00 0.00 C HETATM 233 O DLE B 12 -1.199 -11.583 -0.085 1.00 0.00 O HETATM 0 HD23 DLE B 12 -5.750 -9.500 -2.029 1.00 0.00 H new HETATM 0 HD22 DLE B 12 -6.080 -10.656 -0.717 1.00 0.00 H new HETATM 0 HD21 DLE B 12 -6.833 -9.043 -0.693 1.00 0.00 H new HETATM 0 HD13 DLE B 12 -3.752 -7.191 0.252 1.00 0.00 H new HETATM 0 HD12 DLE B 12 -4.311 -7.357 -1.429 1.00 0.00 H new HETATM 0 HD11 DLE B 12 -5.483 -7.035 -0.130 1.00 0.00 H new HETATM 0 HG DLE B 12 -4.951 -9.210 0.882 1.00 0.00 H new HETATM 0 HB3 DLE B 12 -3.084 -9.483 -1.493 1.00 0.00 H new HETATM 0 HB2 DLE B 12 -3.681 -10.883 -0.623 1.00 0.00 H new HETATM 0 HA DLE B 12 -2.113 -8.553 0.478 1.00 0.00 H new ATOM 234 N TRP B 13 0.002 -9.805 0.629 1.00 0.00 N ATOM 235 CA TRP B 13 1.286 -10.468 0.472 1.00 0.00 C ATOM 236 C TRP B 13 2.197 -10.010 1.613 1.00 0.00 C ATOM 237 O TRP B 13 1.996 -8.939 2.181 1.00 0.00 O ATOM 238 CB TRP B 13 1.878 -10.197 -0.912 1.00 0.00 C ATOM 239 CG TRP B 13 1.078 -10.811 -2.062 1.00 0.00 C ATOM 240 CD1 TRP B 13 1.196 -12.040 -2.585 1.00 0.00 C ATOM 241 CD2 TRP B 13 0.038 -10.215 -2.826 1.00 0.00 C ATOM 242 NE1 TRP B 13 0.300 -12.239 -3.616 1.00 0.00 N ATOM 243 CE2 TRP B 13 -0.434 -11.068 -3.761 1.00 0.00 C ATOM 244 CE3 TRP B 13 -0.502 -8.918 -2.705 1.00 0.00 C ATOM 245 CZ2 TRP B 13 -1.459 -10.767 -4.666 1.00 0.00 C ATOM 246 CZ3 TRP B 13 -1.528 -8.618 -3.610 1.00 0.00 C ATOM 247 CH2 TRP B 13 -2.013 -9.496 -4.572 1.00 0.00 C ATOM 0 H TRP B 13 0.056 -8.847 0.976 1.00 0.00 H new ATOM 0 HA TRP B 13 1.171 -11.550 0.531 1.00 0.00 H new ATOM 0 HB2 TRP B 13 1.943 -9.120 -1.063 1.00 0.00 H new ATOM 0 HB3 TRP B 13 2.896 -10.586 -0.943 1.00 0.00 H new ATOM 0 HD1 TRP B 13 1.903 -12.781 -2.243 1.00 0.00 H new ATOM 0 HE1 TRP B 13 0.196 -13.089 -4.170 1.00 0.00 H new ATOM 0 HE3 TRP B 13 -0.151 -8.209 -1.970 1.00 0.00 H new ATOM 0 HZ2 TRP B 13 -1.801 -11.484 -5.398 1.00 0.00 H new ATOM 0 HZ3 TRP B 13 -1.973 -7.636 -3.557 1.00 0.00 H new ATOM 0 HH2 TRP B 13 -2.809 -9.195 -5.237 1.00 0.00 H new HETATM 248 N DLE B 14 3.182 -10.845 1.912 1.00 0.00 N HETATM 249 CA DLE B 14 4.124 -10.540 2.975 1.00 0.00 C HETATM 250 CB DLE B 14 5.555 -10.519 2.432 1.00 0.00 C HETATM 251 CG DLE B 14 5.783 -9.277 1.568 1.00 0.00 C HETATM 252 CD1 DLE B 14 6.347 -8.125 2.403 1.00 0.00 C HETATM 253 CD2 DLE B 14 6.670 -9.602 0.364 1.00 0.00 C HETATM 254 C DLE B 14 3.921 -11.521 4.131 1.00 0.00 C HETATM 255 O DLE B 14 4.350 -12.671 4.056 1.00 0.00 O HETATM 0 HD23 DLE B 14 7.636 -9.968 0.712 1.00 0.00 H new HETATM 0 HD22 DLE B 14 6.190 -10.368 -0.245 1.00 0.00 H new HETATM 0 HD21 DLE B 14 6.816 -8.702 -0.234 1.00 0.00 H new HETATM 0 HD13 DLE B 14 5.645 -7.874 3.198 1.00 0.00 H new HETATM 0 HD12 DLE B 14 7.299 -8.425 2.841 1.00 0.00 H new HETATM 0 HD11 DLE B 14 6.500 -7.254 1.765 1.00 0.00 H new HETATM 0 HG DLE B 14 4.819 -8.950 1.178 1.00 0.00 H new HETATM 0 HB3 DLE B 14 6.264 -10.529 3.260 1.00 0.00 H new HETATM 0 HB2 DLE B 14 5.740 -11.418 1.843 1.00 0.00 H new HETATM 0 HA DLE B 14 3.941 -9.541 3.370 1.00 0.00 H new ATOM 256 N TRP B 15 3.265 -11.030 5.172 1.00 0.00 N ATOM 257 CA TRP B 15 2.998 -11.850 6.342 1.00 0.00 C ATOM 258 C TRP B 15 1.587 -11.523 6.837 1.00 0.00 C ATOM 259 O TRP B 15 0.979 -10.552 6.391 1.00 0.00 O ATOM 260 CB TRP B 15 4.071 -11.642 7.414 1.00 0.00 C ATOM 261 CG TRP B 15 5.496 -11.908 6.927 1.00 0.00 C ATOM 262 CD1 TRP B 15 6.146 -13.079 6.875 1.00 0.00 C ATOM 263 CD2 TRP B 15 6.441 -10.972 6.424 1.00 0.00 C ATOM 264 NE1 TRP B 15 7.424 -12.927 6.376 1.00 0.00 N ATOM 265 CE2 TRP B 15 7.601 -11.578 6.091 1.00 0.00 C ATOM 266 CE3 TRP B 15 6.290 -9.580 6.254 1.00 0.00 C ATOM 267 CZ2 TRP B 15 8.721 -10.921 5.568 1.00 0.00 C ATOM 268 CZ3 TRP B 15 7.409 -8.923 5.731 1.00 0.00 C ATOM 269 CH2 TRP B 15 8.603 -9.548 5.388 1.00 0.00 C ATOM 0 H TRP B 15 2.911 -10.075 5.230 1.00 0.00 H new ATOM 0 HA TRP B 15 3.041 -12.909 6.089 1.00 0.00 H new ATOM 0 HB2 TRP B 15 4.009 -10.618 7.782 1.00 0.00 H new ATOM 0 HB3 TRP B 15 3.858 -12.297 8.259 1.00 0.00 H new ATOM 0 HD1 TRP B 15 5.723 -14.023 7.185 1.00 0.00 H new ATOM 0 HE1 TRP B 15 8.112 -13.668 6.241 1.00 0.00 H new ATOM 0 HE3 TRP B 15 5.378 -9.060 6.509 1.00 0.00 H new ATOM 0 HZ2 TRP B 15 9.627 -11.452 5.318 1.00 0.00 H new ATOM 0 HZ3 TRP B 15 7.341 -7.855 5.583 1.00 0.00 H new ATOM 0 HH2 TRP B 15 9.426 -8.975 4.988 1.00 0.00 H new HETATM 270 CA ETA B 16 -0.219 -12.167 8.311 1.00 0.00 C HETATM 271 N ETA B 16 1.109 -12.354 7.751 1.00 0.00 N HETATM 272 CB ETA B 16 -1.221 -13.041 7.554 1.00 0.00 C HETATM 273 O ETA B 16 -1.280 -12.708 6.169 1.00 0.00 O HETATM 0 HO ETA B 16 -1.513 -11.761 6.070 1.00 0.00 H new HETATM 0 HB2 ETA B 16 -0.943 -14.089 7.663 1.00 0.00 H new HETATM 0 HB1 ETA B 16 -2.210 -12.926 7.997 1.00 0.00 H new HETATM 0 HA2 ETA B 16 -0.219 -12.429 9.369 1.00 0.00 H new HETATM 0 HA1 ETA B 16 -0.510 -11.119 8.242 1.00 0.00 H new TER 274 ETA B 16