USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 280 hydrogens (156 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 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 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 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 180:sc= 0 USER MOD Single : B 16 ETA O : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C FVA A 1 14.510 2.270 -2.034 1.00 0.00 C HETATM 2 N FVA A 1 14.325 3.581 -4.115 1.00 0.00 N HETATM 3 O FVA A 1 15.313 1.659 -1.357 1.00 0.00 O HETATM 4 CA FVA A 1 14.561 2.217 -3.562 1.00 0.00 C HETATM 5 CB FVA A 1 15.935 1.716 -4.007 1.00 0.00 C HETATM 6 CG1 FVA A 1 17.026 2.536 -3.316 1.00 0.00 C HETATM 7 CG2 FVA A 1 16.088 0.242 -3.623 1.00 0.00 C HETATM 14 O1 FVA A 1 12.882 3.552 -5.759 1.00 0.00 O HETATM 16 CN FVA A 1 14.036 3.492 -5.385 1.00 0.00 C HETATM 0 HG23 FVA A 1 15.995 0.136 -2.542 1.00 0.00 H new HETATM 0 HG22 FVA A 1 15.311 -0.344 -4.113 1.00 0.00 H new HETATM 0 HG21 FVA A 1 17.067 -0.117 -3.940 1.00 0.00 H new HETATM 0 HG13 FVA A 1 16.918 3.586 -3.586 1.00 0.00 H new HETATM 0 HG12 FVA A 1 16.933 2.428 -2.235 1.00 0.00 H new HETATM 0 HG11 FVA A 1 18.006 2.179 -3.633 1.00 0.00 H new HETATM 0 HN FVA A 1 14.836 3.363 -6.114 1.00 0.00 H new HETATM 0 HB FVA A 1 16.028 1.824 -5.088 1.00 0.00 H new HETATM 0 HA FVA A 1 13.790 1.539 -3.929 1.00 0.00 H new HETATM 0 H FVA A 1 14.381 4.450 -3.583 1.00 0.00 H new ATOM 20 N GLY A 2 13.575 2.994 -1.483 1.00 0.00 N ATOM 21 CA GLY A 2 13.479 3.080 0.002 1.00 0.00 C ATOM 22 C GLY A 2 13.597 1.678 0.602 1.00 0.00 C ATOM 23 O GLY A 2 14.682 1.188 0.843 1.00 0.00 O ATOM 0 H GLY A 2 12.874 3.529 -1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 2 14.269 3.722 0.392 1.00 0.00 H new ATOM 0 HA3 GLY A 2 12.530 3.532 0.290 1.00 0.00 H new ATOM 27 N ALA A 3 12.492 1.023 0.843 1.00 0.00 N ATOM 28 CA ALA A 3 12.560 -0.344 1.422 1.00 0.00 C ATOM 29 C ALA A 3 11.150 -0.915 1.606 1.00 0.00 C ATOM 30 O ALA A 3 10.181 -0.189 1.746 1.00 0.00 O ATOM 31 CB ALA A 3 13.266 -0.284 2.778 1.00 0.00 C ATOM 0 H ALA A 3 11.552 1.376 0.664 1.00 0.00 H new ATOM 0 HA ALA A 3 13.116 -0.990 0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 3 13.318 -1.285 3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 3 14.275 0.107 2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.709 0.369 3.450 1.00 0.00 H new HETATM 37 N DLE A 4 11.032 -2.218 1.628 1.00 0.00 N HETATM 38 CA DLE A 4 9.697 -2.849 1.825 1.00 0.00 C HETATM 39 CB DLE A 4 9.814 -3.922 2.902 1.00 0.00 C HETATM 40 CG DLE A 4 10.019 -3.313 4.302 1.00 0.00 C HETATM 41 CD1 DLE A 4 10.370 -1.819 4.234 1.00 0.00 C HETATM 42 CD2 DLE A 4 8.736 -3.496 5.107 1.00 0.00 C HETATM 43 C DLE A 4 9.210 -3.509 0.533 1.00 0.00 C HETATM 44 O DLE A 4 9.781 -4.465 0.050 1.00 0.00 O HETATM 0 HD23 DLE A 4 7.913 -2.991 4.600 1.00 0.00 H new HETATM 0 HD22 DLE A 4 8.510 -4.559 5.195 1.00 0.00 H new HETATM 0 HD21 DLE A 4 8.866 -3.069 6.101 1.00 0.00 H new HETATM 0 HD13 DLE A 4 11.292 -1.687 3.668 1.00 0.00 H new HETATM 0 HD12 DLE A 4 9.562 -1.277 3.743 1.00 0.00 H new HETATM 0 HD11 DLE A 4 10.506 -1.431 5.243 1.00 0.00 H new HETATM 0 HG DLE A 4 10.855 -3.825 4.779 1.00 0.00 H new HETATM 0 HB3 DLE A 4 8.913 -4.536 2.902 1.00 0.00 H new HETATM 0 HB2 DLE A 4 10.649 -4.582 2.668 1.00 0.00 H new HETATM 0 HA DLE A 4 8.986 -2.077 2.118 1.00 0.00 H new HETATM 0 H DLE A 4 11.831 -2.531 2.180 1.00 0.00 H new ATOM 56 N ALA A 5 8.138 -3.012 -0.008 1.00 0.00 N ATOM 57 CA ALA A 5 7.568 -3.594 -1.256 1.00 0.00 C ATOM 58 C ALA A 5 6.387 -2.731 -1.678 1.00 0.00 C ATOM 59 O ALA A 5 5.248 -3.155 -1.652 1.00 0.00 O ATOM 60 CB ALA A 5 7.078 -5.015 -0.981 1.00 0.00 C ATOM 0 H ALA A 5 7.623 -2.215 0.365 1.00 0.00 H new ATOM 0 HA ALA A 5 8.324 -3.623 -2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.661 -5.439 -1.894 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.913 -5.629 -0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.309 -4.992 -0.208 1.00 0.00 H new HETATM 66 N DVA A 6 6.640 -1.510 -2.034 1.00 0.00 N HETATM 67 CA DVA A 6 5.520 -0.617 -2.412 1.00 0.00 C HETATM 68 CB DVA A 6 5.766 0.008 -3.786 1.00 0.00 C HETATM 69 CG1 DVA A 6 6.736 -0.860 -4.593 1.00 0.00 C HETATM 70 CG2 DVA A 6 4.433 0.114 -4.539 1.00 0.00 C HETATM 71 C DVA A 6 5.423 0.477 -1.352 1.00 0.00 C HETATM 72 O DVA A 6 6.056 0.399 -0.319 1.00 0.00 O HETATM 0 HG23 DVA A 6 4.004 -0.881 -4.662 1.00 0.00 H new HETATM 0 HG22 DVA A 6 3.743 0.739 -3.972 1.00 0.00 H new HETATM 0 HG21 DVA A 6 4.603 0.559 -5.519 1.00 0.00 H new HETATM 0 HG13 DVA A 6 7.684 -0.938 -4.061 1.00 0.00 H new HETATM 0 HG12 DVA A 6 6.311 -1.855 -4.724 1.00 0.00 H new HETATM 0 HG11 DVA A 6 6.904 -0.406 -5.570 1.00 0.00 H new HETATM 0 HB DVA A 6 6.199 1.000 -3.656 1.00 0.00 H new HETATM 0 HA DVA A 6 4.592 -1.186 -2.468 1.00 0.00 H new ATOM 82 N VAL A 7 4.646 1.493 -1.580 1.00 0.00 N ATOM 83 CA VAL A 7 4.544 2.565 -0.557 1.00 0.00 C ATOM 84 C VAL A 7 3.244 2.461 0.264 1.00 0.00 C ATOM 85 O VAL A 7 2.332 3.250 0.110 1.00 0.00 O ATOM 86 CB VAL A 7 4.607 3.933 -1.236 1.00 0.00 C ATOM 87 CG1 VAL A 7 4.687 5.024 -0.169 1.00 0.00 C ATOM 88 CG2 VAL A 7 5.846 4.005 -2.131 1.00 0.00 C ATOM 0 H VAL A 7 4.083 1.628 -2.420 1.00 0.00 H new ATOM 0 HA VAL A 7 5.382 2.444 0.129 1.00 0.00 H new ATOM 0 HB VAL A 7 3.713 4.079 -1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.732 6.001 -0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.805 4.974 0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.581 4.876 0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.889 4.981 -2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.741 3.860 -1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.792 3.226 -2.891 1.00 0.00 H new HETATM 98 N DVA A 8 3.200 1.545 1.195 1.00 0.00 N HETATM 99 CA DVA A 8 2.014 1.439 2.111 1.00 0.00 C HETATM 100 CB DVA A 8 2.486 1.997 3.444 1.00 0.00 C HETATM 101 CG1 DVA A 8 2.774 3.487 3.290 1.00 0.00 C HETATM 102 CG2 DVA A 8 1.428 1.773 4.522 1.00 0.00 C HETATM 103 C DVA A 8 1.532 -0.011 2.352 1.00 0.00 C HETATM 104 O DVA A 8 2.144 -0.757 3.091 1.00 0.00 O HETATM 0 HG23 DVA A 8 0.504 2.275 4.235 1.00 0.00 H new HETATM 0 HG22 DVA A 8 1.241 0.705 4.632 1.00 0.00 H new HETATM 0 HG21 DVA A 8 1.783 2.179 5.470 1.00 0.00 H new HETATM 0 HG13 DVA A 8 3.549 3.632 2.538 1.00 0.00 H new HETATM 0 HG12 DVA A 8 1.866 4.003 2.979 1.00 0.00 H new HETATM 0 HG11 DVA A 8 3.113 3.892 4.243 1.00 0.00 H new HETATM 0 HB DVA A 8 3.396 1.480 3.748 1.00 0.00 H new HETATM 0 HA DVA A 8 1.175 1.971 1.661 1.00 0.00 H new ATOM 114 N TRP A 9 0.406 -0.408 1.804 1.00 0.00 N ATOM 115 CA TRP A 9 -0.087 -1.793 2.084 1.00 0.00 C ATOM 116 C TRP A 9 -1.301 -2.124 1.209 1.00 0.00 C ATOM 117 O TRP A 9 -2.413 -1.814 1.561 1.00 0.00 O ATOM 118 CB TRP A 9 -0.534 -1.875 3.549 1.00 0.00 C ATOM 119 CG TRP A 9 -0.776 -3.297 3.929 1.00 0.00 C ATOM 120 CD1 TRP A 9 -1.994 -3.829 4.139 1.00 0.00 C ATOM 121 CD2 TRP A 9 0.186 -4.369 4.158 1.00 0.00 C ATOM 122 NE1 TRP A 9 -1.853 -5.162 4.476 1.00 0.00 N ATOM 123 CE2 TRP A 9 -0.526 -5.543 4.501 1.00 0.00 C ATOM 124 CE3 TRP A 9 1.589 -4.439 4.099 1.00 0.00 C ATOM 125 CZ2 TRP A 9 0.130 -6.743 4.777 1.00 0.00 C ATOM 126 CZ3 TRP A 9 2.253 -5.646 4.377 1.00 0.00 C ATOM 127 CH2 TRP A 9 1.525 -6.795 4.715 1.00 0.00 C ATOM 0 H TRP A 9 -0.181 0.154 1.188 1.00 0.00 H new ATOM 0 HA TRP A 9 0.720 -2.495 1.873 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.229 -1.442 4.196 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -1.443 -1.291 3.694 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -2.932 -3.299 4.057 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -2.633 -5.787 4.681 1.00 0.00 H new ATOM 0 HE3 TRP A 9 2.160 -3.560 3.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -0.436 -7.625 5.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 3.331 -5.688 4.330 1.00 0.00 H new ATOM 0 HH2 TRP A 9 2.042 -7.719 4.927 1.00 0.00 H new HETATM 138 N DLE A 10 -1.125 -2.759 0.086 1.00 0.00 N HETATM 139 CA DLE A 10 -2.324 -3.088 -0.744 1.00 0.00 C HETATM 140 CB DLE A 10 -2.244 -4.523 -1.288 1.00 0.00 C HETATM 141 CG DLE A 10 -0.791 -4.935 -1.531 1.00 0.00 C HETATM 142 CD1 DLE A 10 -0.738 -6.425 -1.867 1.00 0.00 C HETATM 143 CD2 DLE A 10 -0.226 -4.135 -2.703 1.00 0.00 C HETATM 144 C DLE A 10 -2.438 -2.095 -1.897 1.00 0.00 C HETATM 145 O DLE A 10 -1.541 -1.947 -2.697 1.00 0.00 O HETATM 0 HD23 DLE A 10 -0.815 -4.335 -3.598 1.00 0.00 H new HETATM 0 HD22 DLE A 10 -0.268 -3.071 -2.471 1.00 0.00 H new HETATM 0 HD21 DLE A 10 0.809 -4.427 -2.878 1.00 0.00 H new HETATM 0 HD13 DLE A 10 -1.146 -7.000 -1.036 1.00 0.00 H new HETATM 0 HD12 DLE A 10 -1.326 -6.617 -2.764 1.00 0.00 H new HETATM 0 HD11 DLE A 10 0.296 -6.722 -2.041 1.00 0.00 H new HETATM 0 HG DLE A 10 -0.202 -4.738 -0.635 1.00 0.00 H new HETATM 0 HB3 DLE A 10 -2.708 -5.211 -0.581 1.00 0.00 H new HETATM 0 HB2 DLE A 10 -2.807 -4.595 -2.218 1.00 0.00 H new HETATM 0 HA DLE A 10 -3.210 -3.016 -0.114 1.00 0.00 H new HETATM 0 H DLE A 10 -0.393 -3.456 0.223 1.00 0.00 H new ATOM 157 N TRP A 11 -3.540 -1.405 -1.979 1.00 0.00 N ATOM 158 CA TRP A 11 -3.716 -0.410 -3.072 1.00 0.00 C ATOM 159 C TRP A 11 -5.073 0.271 -2.916 1.00 0.00 C ATOM 160 O TRP A 11 -6.092 -0.241 -3.335 1.00 0.00 O ATOM 161 CB TRP A 11 -3.645 -1.109 -4.430 1.00 0.00 C ATOM 162 CG TRP A 11 -3.587 -0.077 -5.510 1.00 0.00 C ATOM 163 CD1 TRP A 11 -4.651 0.599 -5.993 1.00 0.00 C ATOM 164 CD2 TRP A 11 -2.428 0.412 -6.242 1.00 0.00 C ATOM 165 NE1 TRP A 11 -4.223 1.464 -6.982 1.00 0.00 N ATOM 166 CE2 TRP A 11 -2.859 1.387 -7.172 1.00 0.00 C ATOM 167 CE3 TRP A 11 -1.060 0.104 -6.192 1.00 0.00 C ATOM 168 CZ2 TRP A 11 -1.964 2.034 -8.022 1.00 0.00 C ATOM 169 CZ3 TRP A 11 -0.152 0.754 -7.046 1.00 0.00 C ATOM 170 CH2 TRP A 11 -0.604 1.716 -7.960 1.00 0.00 C ATOM 0 H TRP A 11 -4.327 -1.487 -1.336 1.00 0.00 H new ATOM 0 HA TRP A 11 -2.922 0.335 -3.015 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -2.766 -1.751 -4.476 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -4.516 -1.750 -4.569 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -5.672 0.483 -5.660 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.840 2.084 -7.507 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.702 -0.637 -5.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.318 2.775 -8.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 0.899 0.511 -6.998 1.00 0.00 H new ATOM 0 HH2 TRP A 11 0.097 2.211 -8.615 1.00 0.00 H new HETATM 181 N DLE A 12 -5.092 1.424 -2.311 1.00 0.00 N HETATM 182 CA DLE A 12 -6.380 2.146 -2.118 1.00 0.00 C HETATM 183 CB DLE A 12 -6.347 3.484 -2.870 1.00 0.00 C HETATM 184 CG DLE A 12 -5.611 3.327 -4.207 1.00 0.00 C HETATM 185 CD1 DLE A 12 -6.626 3.157 -5.338 1.00 0.00 C HETATM 186 CD2 DLE A 12 -4.770 4.578 -4.468 1.00 0.00 C HETATM 187 C DLE A 12 -6.583 2.412 -0.624 1.00 0.00 C HETATM 188 O DLE A 12 -5.706 2.917 0.050 1.00 0.00 O HETATM 0 HD23 DLE A 12 -5.420 5.452 -4.509 1.00 0.00 H new HETATM 0 HD22 DLE A 12 -4.045 4.703 -3.664 1.00 0.00 H new HETATM 0 HD21 DLE A 12 -4.245 4.472 -5.417 1.00 0.00 H new HETATM 0 HD13 DLE A 12 -7.232 2.270 -5.153 1.00 0.00 H new HETATM 0 HD12 DLE A 12 -7.272 4.034 -5.382 1.00 0.00 H new HETATM 0 HD11 DLE A 12 -6.099 3.046 -6.286 1.00 0.00 H new HETATM 0 HG DLE A 12 -4.966 2.449 -4.165 1.00 0.00 H new HETATM 0 HB3 DLE A 12 -7.364 3.835 -3.046 1.00 0.00 H new HETATM 0 HB2 DLE A 12 -5.850 4.239 -2.261 1.00 0.00 H new HETATM 0 HA DLE A 12 -7.198 1.538 -2.505 1.00 0.00 H new ATOM 200 N TRP A 13 -7.729 2.075 -0.097 1.00 0.00 N ATOM 201 CA TRP A 13 -7.975 2.313 1.354 1.00 0.00 C ATOM 202 C TRP A 13 -9.201 1.518 1.809 1.00 0.00 C ATOM 203 O TRP A 13 -10.239 1.542 1.178 1.00 0.00 O ATOM 204 CB TRP A 13 -8.220 3.805 1.591 1.00 0.00 C ATOM 205 CG TRP A 13 -8.337 4.063 3.059 1.00 0.00 C ATOM 206 CD1 TRP A 13 -9.383 3.691 3.832 1.00 0.00 C ATOM 207 CD2 TRP A 13 -7.396 4.741 3.942 1.00 0.00 C ATOM 208 NE1 TRP A 13 -9.145 4.097 5.133 1.00 0.00 N ATOM 209 CE2 TRP A 13 -7.933 4.748 5.251 1.00 0.00 C ATOM 210 CE3 TRP A 13 -6.142 5.343 3.736 1.00 0.00 C ATOM 211 CZ2 TRP A 13 -7.250 5.333 6.318 1.00 0.00 C ATOM 212 CZ3 TRP A 13 -5.452 5.933 4.808 1.00 0.00 C ATOM 213 CH2 TRP A 13 -6.005 5.928 6.096 1.00 0.00 C ATOM 0 H TRP A 13 -8.502 1.647 -0.606 1.00 0.00 H new ATOM 0 HA TRP A 13 -7.104 1.989 1.924 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.401 4.390 1.172 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -9.131 4.121 1.082 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -10.261 3.163 3.489 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -9.786 3.935 5.910 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.707 5.352 2.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.680 5.326 7.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -4.490 6.393 4.639 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -5.470 6.383 6.916 1.00 0.00 H new HETATM 224 N DLE A 14 -9.087 0.816 2.904 1.00 0.00 N HETATM 225 CA DLE A 14 -10.243 0.021 3.407 1.00 0.00 C HETATM 226 CB DLE A 14 -9.843 -0.694 4.700 1.00 0.00 C HETATM 227 CG DLE A 14 -9.797 0.314 5.849 1.00 0.00 C HETATM 228 CD1 DLE A 14 -11.096 0.231 6.654 1.00 0.00 C HETATM 229 CD2 DLE A 14 -8.612 -0.008 6.762 1.00 0.00 C HETATM 230 C DLE A 14 -10.652 -1.016 2.358 1.00 0.00 C HETATM 231 O DLE A 14 -10.005 -2.030 2.189 1.00 0.00 O HETATM 0 HD23 DLE A 14 -8.726 -1.014 7.166 1.00 0.00 H new HETATM 0 HD22 DLE A 14 -7.686 0.050 6.190 1.00 0.00 H new HETATM 0 HD21 DLE A 14 -8.578 0.710 7.581 1.00 0.00 H new HETATM 0 HD13 DLE A 14 -11.941 0.459 6.005 1.00 0.00 H new HETATM 0 HD12 DLE A 14 -11.210 -0.775 7.058 1.00 0.00 H new HETATM 0 HD11 DLE A 14 -11.063 0.950 7.473 1.00 0.00 H new HETATM 0 HG DLE A 14 -9.683 1.320 5.445 1.00 0.00 H new HETATM 0 HB3 DLE A 14 -10.557 -1.486 4.926 1.00 0.00 H new HETATM 0 HB2 DLE A 14 -8.869 -1.168 4.579 1.00 0.00 H new HETATM 0 HA DLE A 14 -11.083 0.688 3.601 1.00 0.00 H new HETATM 0 H DLE A 14 -8.206 0.816 3.418 1.00 0.00 H new ATOM 243 N TRP A 15 -11.723 -0.769 1.655 1.00 0.00 N ATOM 244 CA TRP A 15 -12.176 -1.741 0.620 1.00 0.00 C ATOM 245 C TRP A 15 -13.330 -1.132 -0.180 1.00 0.00 C ATOM 246 O TRP A 15 -14.342 -0.746 0.369 1.00 0.00 O ATOM 247 CB TRP A 15 -12.649 -3.027 1.300 1.00 0.00 C ATOM 248 CG TRP A 15 -11.688 -4.131 0.995 1.00 0.00 C ATOM 249 CD1 TRP A 15 -11.628 -4.806 -0.175 1.00 0.00 C ATOM 250 CD2 TRP A 15 -10.650 -4.696 1.847 1.00 0.00 C ATOM 251 NE1 TRP A 15 -10.620 -5.750 -0.096 1.00 0.00 N ATOM 252 CE2 TRP A 15 -9.988 -5.720 1.131 1.00 0.00 C ATOM 253 CE3 TRP A 15 -10.223 -4.421 3.159 1.00 0.00 C ATOM 254 CZ2 TRP A 15 -8.938 -6.447 1.696 1.00 0.00 C ATOM 255 CZ3 TRP A 15 -9.167 -5.151 3.730 1.00 0.00 C ATOM 256 CH2 TRP A 15 -8.527 -6.161 3.000 1.00 0.00 C ATOM 0 H TRP A 15 -12.304 0.064 1.752 1.00 0.00 H new ATOM 0 HA TRP A 15 -11.348 -1.969 -0.052 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -12.719 -2.878 2.377 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -13.647 -3.291 0.950 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -12.263 -4.636 -1.032 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -10.374 -6.390 -0.851 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -10.710 -3.644 3.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -8.448 -7.224 1.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -8.847 -4.932 4.738 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -7.716 -6.718 3.445 1.00 0.00 H new HETATM 267 CA ETA A 16 -14.276 -0.457 -2.306 1.00 0.00 C HETATM 268 N ETA A 16 -13.186 -1.042 -1.475 1.00 0.00 N HETATM 269 CB ETA A 16 -15.107 -1.581 -2.926 1.00 0.00 C HETATM 270 O ETA A 16 -16.044 -1.023 -3.839 1.00 0.00 O HETATM 0 HO ETA A 16 -16.577 -1.741 -4.240 1.00 0.00 H new HETATM 0 HB2 ETA A 16 -14.457 -2.288 -3.441 1.00 0.00 H new HETATM 0 HB1 ETA A 16 -15.628 -2.137 -2.146 1.00 0.00 H new HETATM 0 HA2 ETA A 16 -14.911 0.183 -1.693 1.00 0.00 H new HETATM 0 HA1 ETA A 16 -13.853 0.171 -3.090 1.00 0.00 H new TER 277 ETA A 16 HETATM 278 C FVA B 1 13.759 -4.525 1.829 1.00 0.00 C HETATM 279 N FVA B 1 12.970 -5.710 3.855 1.00 0.00 N HETATM 280 O FVA B 1 14.671 -4.036 1.194 1.00 0.00 O HETATM 281 CA FVA B 1 13.790 -4.564 3.361 1.00 0.00 C HETATM 282 CB FVA B 1 15.235 -4.711 3.857 1.00 0.00 C HETATM 283 CG1 FVA B 1 15.999 -5.730 3.002 1.00 0.00 C HETATM 284 CG2 FVA B 1 15.938 -3.355 3.772 1.00 0.00 C HETATM 291 O1 FVA B 1 12.873 -7.414 2.488 1.00 0.00 O HETATM 293 CN FVA B 1 13.445 -6.832 3.389 1.00 0.00 C HETATM 0 HG23 FVA B 1 15.940 -3.011 2.738 1.00 0.00 H new HETATM 0 HG22 FVA B 1 15.410 -2.632 4.394 1.00 0.00 H new HETATM 0 HG21 FVA B 1 16.965 -3.455 4.123 1.00 0.00 H new HETATM 0 HG13 FVA B 1 15.505 -6.700 3.063 1.00 0.00 H new HETATM 0 HG12 FVA B 1 16.015 -5.396 1.965 1.00 0.00 H new HETATM 0 HG11 FVA B 1 17.021 -5.820 3.370 1.00 0.00 H new HETATM 0 HN FVA B 1 14.360 -7.250 3.810 1.00 0.00 H new HETATM 0 HB FVA B 1 15.217 -5.061 4.889 1.00 0.00 H new HETATM 0 HA FVA B 1 13.376 -3.632 3.745 1.00 0.00 H new HETATM 0 H FVA B 1 12.158 -5.628 4.467 1.00 0.00 H new ATOM 297 N GLY B 2 12.716 -5.041 1.235 1.00 0.00 N ATOM 298 CA GLY B 2 12.620 -5.040 -0.254 1.00 0.00 C ATOM 299 C GLY B 2 12.983 -3.658 -0.798 1.00 0.00 C ATOM 300 O GLY B 2 14.142 -3.326 -0.948 1.00 0.00 O ATOM 0 H GLY B 2 11.924 -5.464 1.718 1.00 0.00 H new ATOM 0 HA2 GLY B 2 13.290 -5.792 -0.671 1.00 0.00 H new ATOM 0 HA3 GLY B 2 11.609 -5.308 -0.562 1.00 0.00 H new ATOM 304 N ALA B 3 12.007 -2.846 -1.104 1.00 0.00 N ATOM 305 CA ALA B 3 12.317 -1.494 -1.640 1.00 0.00 C ATOM 306 C ALA B 3 11.039 -0.659 -1.747 1.00 0.00 C ATOM 307 O ALA B 3 9.946 -1.181 -1.863 1.00 0.00 O ATOM 308 CB ALA B 3 12.952 -1.630 -3.025 1.00 0.00 C ATOM 0 H ALA B 3 11.015 -3.061 -1.006 1.00 0.00 H new ATOM 0 HA ALA B 3 13.010 -0.995 -0.962 1.00 0.00 H new ATOM 0 HB1 ALA B 3 13.180 -0.640 -3.420 1.00 0.00 H new ATOM 0 HB2 ALA B 3 13.871 -2.211 -2.948 1.00 0.00 H new ATOM 0 HB3 ALA B 3 12.258 -2.137 -3.695 1.00 0.00 H new HETATM 314 N DLE B 4 11.177 0.640 -1.731 1.00 0.00 N HETATM 315 CA DLE B 4 9.989 1.529 -1.857 1.00 0.00 C HETATM 316 CB DLE B 4 10.272 2.559 -2.944 1.00 0.00 C HETATM 317 CG DLE B 4 10.330 1.919 -4.345 1.00 0.00 C HETATM 318 CD1 DLE B 4 10.434 0.390 -4.275 1.00 0.00 C HETATM 319 CD2 DLE B 4 9.071 2.306 -5.115 1.00 0.00 C HETATM 320 C DLE B 4 9.734 2.276 -0.544 1.00 0.00 C HETATM 321 O DLE B 4 10.539 3.070 -0.104 1.00 0.00 O HETATM 0 HD23 DLE B 4 8.192 1.945 -4.580 1.00 0.00 H new HETATM 0 HD22 DLE B 4 9.020 3.391 -5.207 1.00 0.00 H new HETATM 0 HD21 DLE B 4 9.100 1.859 -6.109 1.00 0.00 H new HETATM 0 HD13 DLE B 4 11.340 0.111 -3.736 1.00 0.00 H new HETATM 0 HD12 DLE B 4 9.564 -0.010 -3.754 1.00 0.00 H new HETATM 0 HD11 DLE B 4 10.472 -0.019 -5.285 1.00 0.00 H new HETATM 0 HG DLE B 4 11.223 2.287 -4.850 1.00 0.00 H new HETATM 0 HB3 DLE B 4 9.497 3.326 -2.927 1.00 0.00 H new HETATM 0 HB2 DLE B 4 11.218 3.057 -2.734 1.00 0.00 H new HETATM 0 HA DLE B 4 9.116 0.924 -2.101 1.00 0.00 H new HETATM 0 H DLE B 4 11.991 0.789 -2.327 1.00 0.00 H new ATOM 333 N ALA B 5 8.610 2.048 0.068 1.00 0.00 N ATOM 334 CA ALA B 5 8.294 2.757 1.341 1.00 0.00 C ATOM 335 C ALA B 5 7.017 2.170 1.943 1.00 0.00 C ATOM 336 O ALA B 5 6.009 2.837 2.062 1.00 0.00 O ATOM 337 CB ALA B 5 8.082 4.246 1.056 1.00 0.00 C ATOM 0 H ALA B 5 7.892 1.400 -0.257 1.00 0.00 H new ATOM 0 HA ALA B 5 9.120 2.634 2.042 1.00 0.00 H new ATOM 0 HB1 ALA B 5 7.851 4.765 1.986 1.00 0.00 H new ATOM 0 HB2 ALA B 5 8.989 4.666 0.622 1.00 0.00 H new ATOM 0 HB3 ALA B 5 7.255 4.368 0.357 1.00 0.00 H new HETATM 343 N DVA B 6 7.047 0.924 2.319 1.00 0.00 N HETATM 344 CA DVA B 6 5.827 0.301 2.904 1.00 0.00 C HETATM 345 CB DVA B 6 6.033 0.066 4.395 1.00 0.00 C HETATM 346 CG1 DVA B 6 6.943 1.155 4.967 1.00 0.00 C HETATM 347 CG2 DVA B 6 4.676 0.107 5.106 1.00 0.00 C HETATM 348 C DVA B 6 5.565 -1.037 2.204 1.00 0.00 C HETATM 349 O DVA B 6 6.437 -1.876 2.117 1.00 0.00 O HETATM 0 HG23 DVA B 6 4.213 1.082 4.951 1.00 0.00 H new HETATM 0 HG22 DVA B 6 4.029 -0.671 4.700 1.00 0.00 H new HETATM 0 HG21 DVA B 6 4.819 -0.061 6.173 1.00 0.00 H new HETATM 0 HG13 DVA B 6 7.908 1.127 4.460 1.00 0.00 H new HETATM 0 HG12 DVA B 6 6.482 2.131 4.815 1.00 0.00 H new HETATM 0 HG11 DVA B 6 7.089 0.984 6.034 1.00 0.00 H new HETATM 0 HB DVA B 6 6.498 -0.908 4.549 1.00 0.00 H new HETATM 0 HA DVA B 6 4.974 0.964 2.763 1.00 0.00 H new ATOM 359 N VAL B 7 4.377 -1.245 1.695 1.00 0.00 N ATOM 360 CA VAL B 7 4.078 -2.519 0.991 1.00 0.00 C ATOM 361 C VAL B 7 2.824 -2.354 0.125 1.00 0.00 C ATOM 362 O VAL B 7 1.866 -3.087 0.253 1.00 0.00 O ATOM 363 CB VAL B 7 3.849 -3.661 1.989 1.00 0.00 C ATOM 364 CG1 VAL B 7 4.473 -4.943 1.438 1.00 0.00 C ATOM 365 CG2 VAL B 7 4.487 -3.327 3.341 1.00 0.00 C ATOM 0 H VAL B 7 3.602 -0.583 1.739 1.00 0.00 H new ATOM 0 HA VAL B 7 4.935 -2.766 0.365 1.00 0.00 H new ATOM 0 HB VAL B 7 2.777 -3.797 2.130 1.00 0.00 H new ATOM 0 HG11 VAL B 7 4.313 -5.758 2.144 1.00 0.00 H new ATOM 0 HG12 VAL B 7 4.009 -5.193 0.484 1.00 0.00 H new ATOM 0 HG13 VAL B 7 5.543 -4.794 1.293 1.00 0.00 H new ATOM 0 HG21 VAL B 7 4.315 -4.148 4.037 1.00 0.00 H new ATOM 0 HG22 VAL B 7 5.559 -3.180 3.211 1.00 0.00 H new ATOM 0 HG23 VAL B 7 4.041 -2.415 3.738 1.00 0.00 H new HETATM 375 N DVA B 8 2.857 -1.425 -0.784 1.00 0.00 N HETATM 376 CA DVA B 8 1.705 -1.215 -1.716 1.00 0.00 C HETATM 377 CB DVA B 8 2.153 -1.755 -3.070 1.00 0.00 C HETATM 378 CG1 DVA B 8 2.427 -3.252 -2.954 1.00 0.00 C HETATM 379 CG2 DVA B 8 1.091 -1.493 -4.137 1.00 0.00 C HETATM 380 C DVA B 8 1.385 0.284 -1.865 1.00 0.00 C HETATM 381 O DVA B 8 2.218 1.121 -1.650 1.00 0.00 O HETATM 0 HG23 DVA B 8 0.161 -1.985 -3.853 1.00 0.00 H new HETATM 0 HG22 DVA B 8 0.921 -0.420 -4.226 1.00 0.00 H new HETATM 0 HG21 DVA B 8 1.432 -1.887 -5.094 1.00 0.00 H new HETATM 0 HG13 DVA B 8 3.212 -3.422 -2.217 1.00 0.00 H new HETATM 0 HG12 DVA B 8 1.518 -3.765 -2.641 1.00 0.00 H new HETATM 0 HG11 DVA B 8 2.747 -3.639 -3.921 1.00 0.00 H new HETATM 0 HB DVA B 8 3.066 -1.241 -3.370 1.00 0.00 H new HETATM 0 HA DVA B 8 0.813 -1.714 -1.339 1.00 0.00 H new ATOM 391 N TRP B 9 0.193 0.638 -2.264 1.00 0.00 N ATOM 392 CA TRP B 9 -0.113 2.089 -2.459 1.00 0.00 C ATOM 393 C TRP B 9 -1.219 2.553 -1.514 1.00 0.00 C ATOM 394 O TRP B 9 -2.332 2.795 -1.932 1.00 0.00 O ATOM 395 CB TRP B 9 -0.583 2.309 -3.899 1.00 0.00 C ATOM 396 CG TRP B 9 0.008 3.571 -4.439 1.00 0.00 C ATOM 397 CD1 TRP B 9 -0.705 4.600 -4.949 1.00 0.00 C ATOM 398 CD2 TRP B 9 1.411 3.954 -4.540 1.00 0.00 C ATOM 399 NE1 TRP B 9 0.169 5.592 -5.355 1.00 0.00 N ATOM 400 CE2 TRP B 9 1.484 5.241 -5.124 1.00 0.00 C ATOM 401 CE3 TRP B 9 2.614 3.318 -4.185 1.00 0.00 C ATOM 402 CZ2 TRP B 9 2.706 5.874 -5.348 1.00 0.00 C ATOM 403 CZ3 TRP B 9 3.847 3.953 -4.410 1.00 0.00 C ATOM 404 CH2 TRP B 9 3.892 5.229 -4.990 1.00 0.00 C ATOM 0 H TRP B 9 -0.575 -0.004 -2.462 1.00 0.00 H new ATOM 0 HA TRP B 9 0.791 2.660 -2.250 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -0.288 1.464 -4.520 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -1.671 2.364 -3.931 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -1.781 4.641 -5.027 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -0.122 6.475 -5.774 1.00 0.00 H new ATOM 0 HE3 TRP B 9 2.590 2.336 -3.737 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 2.735 6.857 -5.795 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 4.765 3.456 -4.135 1.00 0.00 H new ATOM 0 HH2 TRP B 9 4.843 5.712 -5.160 1.00 0.00 H new HETATM 415 N DLE B 10 -0.937 2.689 -0.251 1.00 0.00 N HETATM 416 CA DLE B 10 -2.005 3.146 0.683 1.00 0.00 C HETATM 417 CB DLE B 10 -1.674 4.538 1.242 1.00 0.00 C HETATM 418 CG DLE B 10 -0.185 4.644 1.572 1.00 0.00 C HETATM 419 CD1 DLE B 10 0.256 6.107 1.479 1.00 0.00 C HETATM 420 CD2 DLE B 10 0.047 4.135 2.991 1.00 0.00 C HETATM 421 C DLE B 10 -2.155 2.135 1.815 1.00 0.00 C HETATM 422 O DLE B 10 -1.229 1.851 2.547 1.00 0.00 O HETATM 0 HD23 DLE B 10 -0.529 4.739 3.693 1.00 0.00 H new HETATM 0 HD22 DLE B 10 -0.271 3.095 3.061 1.00 0.00 H new HETATM 0 HD21 DLE B 10 1.107 4.207 3.235 1.00 0.00 H new HETATM 0 HD13 DLE B 10 0.081 6.476 0.468 1.00 0.00 H new HETATM 0 HD12 DLE B 10 -0.316 6.705 2.188 1.00 0.00 H new HETATM 0 HD11 DLE B 10 1.318 6.183 1.714 1.00 0.00 H new HETATM 0 HG DLE B 10 0.392 4.047 0.866 1.00 0.00 H new HETATM 0 HB3 DLE B 10 -1.946 5.302 0.514 1.00 0.00 H new HETATM 0 HB2 DLE B 10 -2.265 4.726 2.138 1.00 0.00 H new HETATM 0 HA DLE B 10 -2.948 3.218 0.141 1.00 0.00 H new ATOM 434 N TRP B 11 -3.320 1.569 1.939 1.00 0.00 N ATOM 435 CA TRP B 11 -3.560 0.549 2.988 1.00 0.00 C ATOM 436 C TRP B 11 -5.004 0.078 2.882 1.00 0.00 C ATOM 437 O TRP B 11 -5.936 0.795 3.189 1.00 0.00 O ATOM 438 CB TRP B 11 -3.300 1.112 4.379 1.00 0.00 C ATOM 439 CG TRP B 11 -3.207 -0.037 5.327 1.00 0.00 C ATOM 440 CD1 TRP B 11 -4.241 -0.816 5.688 1.00 0.00 C ATOM 441 CD2 TRP B 11 -2.041 -0.568 6.011 1.00 0.00 C ATOM 442 NE1 TRP B 11 -3.795 -1.779 6.574 1.00 0.00 N ATOM 443 CE2 TRP B 11 -2.441 -1.667 6.805 1.00 0.00 C ATOM 444 CE3 TRP B 11 -0.694 -0.196 6.025 1.00 0.00 C ATOM 445 CZ2 TRP B 11 -1.529 -2.375 7.587 1.00 0.00 C ATOM 446 CZ3 TRP B 11 0.234 -0.904 6.808 1.00 0.00 C ATOM 447 CH2 TRP B 11 -0.184 -1.992 7.590 1.00 0.00 C ATOM 0 H TRP B 11 -4.126 1.774 1.349 1.00 0.00 H new ATOM 0 HA TRP B 11 -2.874 -0.284 2.836 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -2.377 1.692 4.390 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -4.104 1.787 4.674 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -5.258 -0.707 5.341 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -4.394 -2.485 7.003 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -0.363 0.642 5.429 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -1.858 -3.212 8.185 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 1.273 -0.610 6.808 1.00 0.00 H new ATOM 0 HH2 TRP B 11 0.531 -2.532 8.193 1.00 0.00 H new HETATM 458 N DLE B 12 -5.186 -1.122 2.431 1.00 0.00 N HETATM 459 CA DLE B 12 -6.558 -1.672 2.269 1.00 0.00 C HETATM 460 CB DLE B 12 -6.662 -3.048 2.944 1.00 0.00 C HETATM 461 CG DLE B 12 -5.761 -3.113 4.185 1.00 0.00 C HETATM 462 CD1 DLE B 12 -6.593 -2.845 5.440 1.00 0.00 C HETATM 463 CD2 DLE B 12 -5.138 -4.508 4.282 1.00 0.00 C HETATM 464 C DLE B 12 -6.846 -1.821 0.772 1.00 0.00 C HETATM 465 O DLE B 12 -6.044 -2.357 0.030 1.00 0.00 O HETATM 0 HD23 DLE B 12 -5.928 -5.254 4.364 1.00 0.00 H new HETATM 0 HD22 DLE B 12 -4.545 -4.704 3.389 1.00 0.00 H new HETATM 0 HD21 DLE B 12 -4.497 -4.560 5.162 1.00 0.00 H new HETATM 0 HD13 DLE B 12 -7.044 -1.855 5.373 1.00 0.00 H new HETATM 0 HD12 DLE B 12 -7.378 -3.597 5.524 1.00 0.00 H new HETATM 0 HD11 DLE B 12 -5.951 -2.892 6.319 1.00 0.00 H new HETATM 0 HG DLE B 12 -4.976 -2.361 4.103 1.00 0.00 H new HETATM 0 HB3 DLE B 12 -7.696 -3.242 3.229 1.00 0.00 H new HETATM 0 HB2 DLE B 12 -6.374 -3.827 2.238 1.00 0.00 H new HETATM 0 HA DLE B 12 -7.279 -0.999 2.733 1.00 0.00 H new ATOM 477 N TRP B 13 -7.975 -1.350 0.315 1.00 0.00 N ATOM 478 CA TRP B 13 -8.289 -1.475 -1.138 1.00 0.00 C ATOM 479 C TRP B 13 -9.372 -0.465 -1.527 1.00 0.00 C ATOM 480 O TRP B 13 -10.301 -0.215 -0.786 1.00 0.00 O ATOM 481 CB TRP B 13 -8.785 -2.892 -1.430 1.00 0.00 C ATOM 482 CG TRP B 13 -9.147 -3.006 -2.876 1.00 0.00 C ATOM 483 CD1 TRP B 13 -10.407 -2.956 -3.367 1.00 0.00 C ATOM 484 CD2 TRP B 13 -8.267 -3.188 -4.024 1.00 0.00 C ATOM 485 NE1 TRP B 13 -10.356 -3.096 -4.742 1.00 0.00 N ATOM 486 CE2 TRP B 13 -9.060 -3.242 -5.195 1.00 0.00 C ATOM 487 CE3 TRP B 13 -6.873 -3.310 -4.162 1.00 0.00 C ATOM 488 CZ2 TRP B 13 -8.490 -3.412 -6.457 1.00 0.00 C ATOM 489 CZ3 TRP B 13 -6.296 -3.481 -5.432 1.00 0.00 C ATOM 490 CH2 TRP B 13 -7.103 -3.532 -6.577 1.00 0.00 C ATOM 0 H TRP B 13 -8.688 -0.888 0.879 1.00 0.00 H new ATOM 0 HA TRP B 13 -7.388 -1.274 -1.718 1.00 0.00 H new ATOM 0 HB2 TRP B 13 -8.012 -3.618 -1.180 1.00 0.00 H new ATOM 0 HB3 TRP B 13 -9.651 -3.121 -0.808 1.00 0.00 H new ATOM 0 HD1 TRP B 13 -11.305 -2.828 -2.781 1.00 0.00 H new ATOM 0 HE1 TRP B 13 -11.176 -3.092 -5.348 1.00 0.00 H new ATOM 0 HE3 TRP B 13 -6.242 -3.272 -3.287 1.00 0.00 H new ATOM 0 HZ2 TRP B 13 -9.117 -3.451 -7.336 1.00 0.00 H new ATOM 0 HZ3 TRP B 13 -5.224 -3.574 -5.526 1.00 0.00 H new ATOM 0 HH2 TRP B 13 -6.654 -3.664 -7.550 1.00 0.00 H new HETATM 501 N DLE B 14 -9.257 0.111 -2.693 1.00 0.00 N HETATM 502 CA DLE B 14 -10.276 1.101 -3.147 1.00 0.00 C HETATM 503 CB DLE B 14 -9.894 1.619 -4.534 1.00 0.00 C HETATM 504 CG DLE B 14 -10.504 0.713 -5.603 1.00 0.00 C HETATM 505 CD1 DLE B 14 -11.996 1.019 -5.743 1.00 0.00 C HETATM 506 CD2 DLE B 14 -9.805 0.964 -6.941 1.00 0.00 C HETATM 507 C DLE B 14 -10.332 2.274 -2.166 1.00 0.00 C HETATM 508 O DLE B 14 -9.398 3.041 -2.046 1.00 0.00 O HETATM 0 HD23 DLE B 14 -9.936 2.007 -7.230 1.00 0.00 H new HETATM 0 HD22 DLE B 14 -8.742 0.746 -6.843 1.00 0.00 H new HETATM 0 HD21 DLE B 14 -10.239 0.319 -7.705 1.00 0.00 H new HETATM 0 HD13 DLE B 14 -12.495 0.842 -4.790 1.00 0.00 H new HETATM 0 HD12 DLE B 14 -12.128 2.061 -6.033 1.00 0.00 H new HETATM 0 HD11 DLE B 14 -12.430 0.372 -6.506 1.00 0.00 H new HETATM 0 HG DLE B 14 -10.374 -0.330 -5.313 1.00 0.00 H new HETATM 0 HB3 DLE B 14 -10.250 2.641 -4.663 1.00 0.00 H new HETATM 0 HB2 DLE B 14 -8.809 1.643 -4.639 1.00 0.00 H new HETATM 0 HA DLE B 14 -11.253 0.620 -3.189 1.00 0.00 H new HETATM 0 H DLE B 14 -8.464 -0.116 -3.293 1.00 0.00 H new ATOM 520 N TRP B 15 -11.425 2.423 -1.469 1.00 0.00 N ATOM 521 CA TRP B 15 -11.545 3.549 -0.502 1.00 0.00 C ATOM 522 C TRP B 15 -12.716 3.284 0.446 1.00 0.00 C ATOM 523 O TRP B 15 -13.794 2.912 0.026 1.00 0.00 O ATOM 524 CB TRP B 15 -11.794 4.851 -1.267 1.00 0.00 C ATOM 525 CG TRP B 15 -10.562 5.697 -1.232 1.00 0.00 C ATOM 526 CD1 TRP B 15 -10.124 6.389 -0.155 1.00 0.00 C ATOM 527 CD2 TRP B 15 -9.605 5.955 -2.301 1.00 0.00 C ATOM 528 NE1 TRP B 15 -8.960 7.055 -0.495 1.00 0.00 N ATOM 529 CE2 TRP B 15 -8.599 6.819 -1.806 1.00 0.00 C ATOM 530 CE3 TRP B 15 -9.513 5.527 -3.637 1.00 0.00 C ATOM 531 CZ2 TRP B 15 -7.540 7.244 -2.609 1.00 0.00 C ATOM 532 CZ3 TRP B 15 -8.448 5.953 -4.449 1.00 0.00 C ATOM 533 CH2 TRP B 15 -7.464 6.809 -3.935 1.00 0.00 C ATOM 0 H TRP B 15 -12.240 1.813 -1.528 1.00 0.00 H new ATOM 0 HA TRP B 15 -10.623 3.635 0.074 1.00 0.00 H new ATOM 0 HB2 TRP B 15 -12.067 4.632 -2.299 1.00 0.00 H new ATOM 0 HB3 TRP B 15 -12.631 5.391 -0.824 1.00 0.00 H new ATOM 0 HD1 TRP B 15 -10.604 6.417 0.812 1.00 0.00 H new ATOM 0 HE1 TRP B 15 -8.433 7.648 0.145 1.00 0.00 H new ATOM 0 HE3 TRP B 15 -10.266 4.867 -4.042 1.00 0.00 H new ATOM 0 HZ2 TRP B 15 -6.785 7.904 -2.209 1.00 0.00 H new ATOM 0 HZ3 TRP B 15 -8.387 5.619 -5.474 1.00 0.00 H new ATOM 0 HH2 TRP B 15 -6.647 7.132 -4.564 1.00 0.00 H new HETATM 544 CA ETA B 16 -13.618 3.229 2.692 1.00 0.00 C HETATM 545 N ETA B 16 -12.514 3.472 1.721 1.00 0.00 N HETATM 546 CB ETA B 16 -13.781 4.452 3.595 1.00 0.00 C HETATM 547 O ETA B 16 -13.323 5.608 2.907 1.00 0.00 O HETATM 0 HO ETA B 16 -13.428 6.394 3.483 1.00 0.00 H new HETATM 0 HB2 ETA B 16 -14.827 4.573 3.877 1.00 0.00 H new HETATM 0 HB1 ETA B 16 -13.216 4.316 4.517 1.00 0.00 H new HETATM 0 HA2 ETA B 16 -14.548 3.030 2.159 1.00 0.00 H new HETATM 0 HA1 ETA B 16 -13.400 2.346 3.293 1.00 0.00 H new TER 554 ETA B 16