USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, 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 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: 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 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 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 13.906 3.190 -3.043 1.00 0.00 C HETATM 2 N FVA A 1 13.017 3.517 -5.320 1.00 0.00 N HETATM 3 O FVA A 1 13.990 4.372 -2.773 1.00 0.00 O HETATM 4 CA FVA A 1 13.945 2.698 -4.490 1.00 0.00 C HETATM 5 CB FVA A 1 15.369 2.830 -5.033 1.00 0.00 C HETATM 6 CG1 FVA A 1 15.895 4.239 -4.750 1.00 0.00 C HETATM 7 CG2 FVA A 1 16.272 1.804 -4.344 1.00 0.00 C HETATM 14 O1 FVA A 1 11.863 3.100 -7.129 1.00 0.00 O HETATM 16 CN FVA A 1 12.894 2.975 -6.501 1.00 0.00 C HETATM 0 HG23 FVA A 1 16.274 1.985 -3.269 1.00 0.00 H new HETATM 0 HG22 FVA A 1 15.898 0.799 -4.542 1.00 0.00 H new HETATM 0 HG21 FVA A 1 17.287 1.896 -4.729 1.00 0.00 H new HETATM 0 HG13 FVA A 1 15.252 4.972 -5.237 1.00 0.00 H new HETATM 0 HG12 FVA A 1 15.899 4.417 -3.675 1.00 0.00 H new HETATM 0 HG11 FVA A 1 16.910 4.333 -5.137 1.00 0.00 H new HETATM 0 HN FVA A 1 13.722 2.407 -6.926 1.00 0.00 H new HETATM 0 HB FVA A 1 15.366 2.652 -6.108 1.00 0.00 H new HETATM 0 HA FVA A 1 13.637 1.653 -4.528 1.00 0.00 H new HETATM 0 H FVA A 1 12.550 4.370 -5.012 1.00 0.00 H new ATOM 20 N GLY A 2 13.782 2.287 -2.113 1.00 0.00 N ATOM 21 CA GLY A 2 13.738 2.685 -0.678 1.00 0.00 C ATOM 22 C GLY A 2 13.794 1.424 0.181 1.00 0.00 C ATOM 23 O GLY A 2 14.854 0.902 0.465 1.00 0.00 O ATOM 0 H GLY A 2 13.709 1.284 -2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 2 14.576 3.341 -0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 2 12.826 3.245 -0.469 1.00 0.00 H new ATOM 27 N ALA A 3 12.662 0.918 0.583 1.00 0.00 N ATOM 28 CA ALA A 3 12.657 -0.320 1.404 1.00 0.00 C ATOM 29 C ALA A 3 11.229 -0.853 1.544 1.00 0.00 C ATOM 30 O ALA A 3 10.271 -0.104 1.620 1.00 0.00 O ATOM 31 CB ALA A 3 13.234 -0.029 2.791 1.00 0.00 C ATOM 0 H ALA A 3 11.742 1.309 0.378 1.00 0.00 H new ATOM 0 HA ALA A 3 13.272 -1.071 0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 3 13.227 -0.942 3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 3 14.258 0.331 2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.629 0.731 3.285 1.00 0.00 H new HETATM 37 N DLE A 4 11.086 -2.148 1.592 1.00 0.00 N HETATM 38 CA DLE A 4 9.733 -2.747 1.742 1.00 0.00 C HETATM 39 CB DLE A 4 9.780 -3.813 2.831 1.00 0.00 C HETATM 40 CG DLE A 4 9.991 -3.196 4.227 1.00 0.00 C HETATM 41 CD1 DLE A 4 10.425 -1.726 4.143 1.00 0.00 C HETATM 42 CD2 DLE A 4 8.684 -3.293 5.010 1.00 0.00 C HETATM 43 C DLE A 4 9.292 -3.403 0.433 1.00 0.00 C HETATM 44 O DLE A 4 9.860 -4.383 -0.010 1.00 0.00 O HETATM 0 HD23 DLE A 4 7.901 -2.750 4.481 1.00 0.00 H new HETATM 0 HD22 DLE A 4 8.396 -4.340 5.109 1.00 0.00 H new HETATM 0 HD21 DLE A 4 8.820 -2.859 6.001 1.00 0.00 H new HETATM 0 HD13 DLE A 4 11.363 -1.655 3.593 1.00 0.00 H new HETATM 0 HD12 DLE A 4 9.657 -1.149 3.627 1.00 0.00 H new HETATM 0 HD11 DLE A 4 10.563 -1.329 5.149 1.00 0.00 H new HETATM 0 HG DLE A 4 10.786 -3.748 4.728 1.00 0.00 H new HETATM 0 HB3 DLE A 4 8.851 -4.383 2.822 1.00 0.00 H new HETATM 0 HB2 DLE A 4 10.586 -4.515 2.618 1.00 0.00 H new HETATM 0 HA DLE A 4 9.026 -1.960 2.005 1.00 0.00 H new HETATM 0 H DLE A 4 11.855 -2.473 2.177 1.00 0.00 H new ATOM 56 N ALA A 5 8.271 -2.879 -0.176 1.00 0.00 N ATOM 57 CA ALA A 5 7.765 -3.464 -1.449 1.00 0.00 C ATOM 58 C ALA A 5 6.573 -2.635 -1.928 1.00 0.00 C ATOM 59 O ALA A 5 5.476 -3.131 -2.092 1.00 0.00 O ATOM 60 CB ALA A 5 7.322 -4.908 -1.211 1.00 0.00 C ATOM 0 H ALA A 5 7.758 -2.062 0.155 1.00 0.00 H new ATOM 0 HA ALA A 5 8.553 -3.454 -2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.952 -5.334 -2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.169 -5.494 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.528 -4.927 -0.464 1.00 0.00 H new HETATM 66 N DVA A 6 6.782 -1.369 -2.142 1.00 0.00 N HETATM 67 CA DVA A 6 5.672 -0.492 -2.597 1.00 0.00 C HETATM 68 CB DVA A 6 5.953 -0.035 -4.019 1.00 0.00 C HETATM 69 CG1 DVA A 6 6.507 -1.206 -4.832 1.00 0.00 C HETATM 70 CG2 DVA A 6 4.658 0.472 -4.662 1.00 0.00 C HETATM 71 C DVA A 6 5.604 0.730 -1.672 1.00 0.00 C HETATM 72 O DVA A 6 6.592 1.405 -1.472 1.00 0.00 O HETATM 0 HG23 DVA A 6 3.922 -0.331 -4.679 1.00 0.00 H new HETATM 0 HG22 DVA A 6 4.268 1.309 -4.083 1.00 0.00 H new HETATM 0 HG21 DVA A 6 4.862 0.799 -5.682 1.00 0.00 H new HETATM 0 HG13 DVA A 6 7.431 -1.561 -4.376 1.00 0.00 H new HETATM 0 HG12 DVA A 6 5.777 -2.015 -4.849 1.00 0.00 H new HETATM 0 HG11 DVA A 6 6.708 -0.878 -5.852 1.00 0.00 H new HETATM 0 HB DVA A 6 6.686 0.772 -4.002 1.00 0.00 H new HETATM 0 HA DVA A 6 4.726 -1.033 -2.569 1.00 0.00 H new ATOM 82 N VAL A 7 4.467 1.033 -1.096 1.00 0.00 N ATOM 83 CA VAL A 7 4.407 2.207 -0.186 1.00 0.00 C ATOM 84 C VAL A 7 3.201 2.102 0.753 1.00 0.00 C ATOM 85 O VAL A 7 2.353 2.969 0.800 1.00 0.00 O ATOM 86 CB VAL A 7 4.320 3.515 -0.984 1.00 0.00 C ATOM 87 CG1 VAL A 7 5.185 4.579 -0.305 1.00 0.00 C ATOM 88 CG2 VAL A 7 4.819 3.296 -2.417 1.00 0.00 C ATOM 0 H VAL A 7 3.592 0.523 -1.217 1.00 0.00 H new ATOM 0 HA VAL A 7 5.322 2.214 0.406 1.00 0.00 H new ATOM 0 HB VAL A 7 3.281 3.844 -1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.126 5.510 -0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.826 4.746 0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.220 4.240 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.752 4.231 -2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.856 2.961 -2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.204 2.540 -2.905 1.00 0.00 H new HETATM 98 N DVA A 8 3.169 1.072 1.543 1.00 0.00 N HETATM 99 CA DVA A 8 2.076 0.905 2.551 1.00 0.00 C HETATM 100 CB DVA A 8 2.692 1.220 3.904 1.00 0.00 C HETATM 101 CG1 DVA A 8 3.093 2.692 3.943 1.00 0.00 C HETATM 102 CG2 DVA A 8 1.698 0.917 5.023 1.00 0.00 C HETATM 103 C DVA A 8 1.531 -0.536 2.595 1.00 0.00 C HETATM 104 O DVA A 8 2.161 -1.425 3.134 1.00 0.00 O HETATM 0 HG23 DVA A 8 0.803 1.525 4.890 1.00 0.00 H new HETATM 0 HG22 DVA A 8 1.427 -0.138 4.993 1.00 0.00 H new HETATM 0 HG21 DVA A 8 2.153 1.147 5.986 1.00 0.00 H new HETATM 0 HG13 DVA A 8 3.819 2.892 3.155 1.00 0.00 H new HETATM 0 HG12 DVA A 8 2.211 3.314 3.790 1.00 0.00 H new HETATM 0 HG11 DVA A 8 3.536 2.923 4.912 1.00 0.00 H new HETATM 0 HB DVA A 8 3.575 0.598 4.051 1.00 0.00 H new HETATM 0 HA DVA A 8 1.245 1.560 2.290 1.00 0.00 H new ATOM 114 N TRP A 9 0.349 -0.780 2.086 1.00 0.00 N ATOM 115 CA TRP A 9 -0.203 -2.167 2.163 1.00 0.00 C ATOM 116 C TRP A 9 -1.377 -2.338 1.199 1.00 0.00 C ATOM 117 O TRP A 9 -2.510 -2.429 1.617 1.00 0.00 O ATOM 118 CB TRP A 9 -0.714 -2.425 3.585 1.00 0.00 C ATOM 119 CG TRP A 9 -1.024 -3.876 3.754 1.00 0.00 C ATOM 120 CD1 TRP A 9 -2.242 -4.370 4.058 1.00 0.00 C ATOM 121 CD2 TRP A 9 -0.132 -5.022 3.639 1.00 0.00 C ATOM 122 NE1 TRP A 9 -2.159 -5.749 4.133 1.00 0.00 N ATOM 123 CE2 TRP A 9 -0.879 -6.199 3.881 1.00 0.00 C ATOM 124 CE3 TRP A 9 1.238 -5.154 3.347 1.00 0.00 C ATOM 125 CZ2 TRP A 9 -0.288 -7.462 3.838 1.00 0.00 C ATOM 126 CZ3 TRP A 9 1.835 -6.423 3.302 1.00 0.00 C ATOM 127 CH2 TRP A 9 1.075 -7.575 3.547 1.00 0.00 C ATOM 0 H TRP A 9 -0.249 -0.092 1.628 1.00 0.00 H new ATOM 0 HA TRP A 9 0.589 -2.868 1.897 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.037 -2.117 4.313 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -1.606 -1.828 3.775 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -3.136 -3.785 4.217 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -2.948 -6.359 4.348 1.00 0.00 H new ATOM 0 HE3 TRP A 9 1.834 -4.273 3.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -0.879 -8.346 4.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 2.887 -6.513 3.077 1.00 0.00 H new ATOM 0 HH2 TRP A 9 1.541 -8.548 3.511 1.00 0.00 H new HETATM 138 N DLE A 10 -1.137 -2.392 -0.081 1.00 0.00 N HETATM 139 CA DLE A 10 -2.280 -2.563 -1.023 1.00 0.00 C HETATM 140 CB DLE A 10 -2.172 -3.897 -1.775 1.00 0.00 C HETATM 141 CG DLE A 10 -0.725 -4.170 -2.185 1.00 0.00 C HETATM 142 CD1 DLE A 10 -0.518 -5.676 -2.355 1.00 0.00 C HETATM 143 CD2 DLE A 10 -0.438 -3.468 -3.510 1.00 0.00 C HETATM 144 C DLE A 10 -2.312 -1.397 -2.011 1.00 0.00 C HETATM 145 O DLE A 10 -1.369 -1.150 -2.737 1.00 0.00 O HETATM 0 HD23 DLE A 10 -1.113 -3.848 -4.277 1.00 0.00 H new HETATM 0 HD22 DLE A 10 -0.589 -2.395 -3.393 1.00 0.00 H new HETATM 0 HD21 DLE A 10 0.593 -3.659 -3.807 1.00 0.00 H new HETATM 0 HD13 DLE A 10 -0.730 -6.181 -1.413 1.00 0.00 H new HETATM 0 HD12 DLE A 10 -1.191 -6.051 -3.126 1.00 0.00 H new HETATM 0 HD11 DLE A 10 0.514 -5.871 -2.647 1.00 0.00 H new HETATM 0 HG DLE A 10 -0.050 -3.795 -1.415 1.00 0.00 H new HETATM 0 HB3 DLE A 10 -2.535 -4.707 -1.143 1.00 0.00 H new HETATM 0 HB2 DLE A 10 -2.808 -3.874 -2.660 1.00 0.00 H new HETATM 0 HA DLE A 10 -3.207 -2.573 -0.450 1.00 0.00 H new ATOM 157 N TRP A 11 -3.395 -0.671 -2.024 1.00 0.00 N ATOM 158 CA TRP A 11 -3.521 0.496 -2.931 1.00 0.00 C ATOM 159 C TRP A 11 -4.899 1.121 -2.731 1.00 0.00 C ATOM 160 O TRP A 11 -5.915 0.554 -3.082 1.00 0.00 O ATOM 161 CB TRP A 11 -3.349 0.071 -4.385 1.00 0.00 C ATOM 162 CG TRP A 11 -3.097 1.293 -5.207 1.00 0.00 C ATOM 163 CD1 TRP A 11 -4.029 2.213 -5.522 1.00 0.00 C ATOM 164 CD2 TRP A 11 -1.853 1.752 -5.800 1.00 0.00 C ATOM 165 NE1 TRP A 11 -3.442 3.201 -6.291 1.00 0.00 N ATOM 166 CE2 TRP A 11 -2.099 2.962 -6.488 1.00 0.00 C ATOM 167 CE3 TRP A 11 -0.552 1.236 -5.811 1.00 0.00 C ATOM 168 CZ2 TRP A 11 -1.083 3.636 -7.165 1.00 0.00 C ATOM 169 CZ3 TRP A 11 0.476 1.909 -6.489 1.00 0.00 C ATOM 170 CH2 TRP A 11 0.211 3.107 -7.167 1.00 0.00 C ATOM 0 H TRP A 11 -4.209 -0.843 -1.434 1.00 0.00 H new ATOM 0 HA TRP A 11 -2.741 1.221 -2.697 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -2.518 -0.628 -4.480 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -4.242 -0.446 -4.737 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -5.066 2.184 -5.223 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -3.941 4.007 -6.666 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.338 0.313 -5.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -1.294 4.559 -7.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.476 1.502 -6.488 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.005 3.620 -7.690 1.00 0.00 H new HETATM 181 N DLE A 12 -4.935 2.281 -2.152 1.00 0.00 N HETATM 182 CA DLE A 12 -6.234 2.963 -1.896 1.00 0.00 C HETATM 183 CB DLE A 12 -6.206 4.397 -2.452 1.00 0.00 C HETATM 184 CG DLE A 12 -5.263 4.504 -3.659 1.00 0.00 C HETATM 185 CD1 DLE A 12 -6.072 4.428 -4.955 1.00 0.00 C HETATM 186 CD2 DLE A 12 -4.529 5.845 -3.602 1.00 0.00 C HETATM 187 C DLE A 12 -6.460 3.018 -0.382 1.00 0.00 C HETATM 188 O DLE A 12 -5.542 2.838 0.393 1.00 0.00 O HETATM 0 HD23 DLE A 12 -5.254 6.658 -3.630 1.00 0.00 H new HETATM 0 HD22 DLE A 12 -3.952 5.905 -2.679 1.00 0.00 H new HETATM 0 HD21 DLE A 12 -3.857 5.929 -4.456 1.00 0.00 H new HETATM 0 HD13 DLE A 12 -6.604 3.478 -4.996 1.00 0.00 H new HETATM 0 HD12 DLE A 12 -6.790 5.248 -4.984 1.00 0.00 H new HETATM 0 HD11 DLE A 12 -5.399 4.504 -5.809 1.00 0.00 H new HETATM 0 HG DLE A 12 -4.545 3.684 -3.633 1.00 0.00 H new HETATM 0 HB3 DLE A 12 -7.212 4.696 -2.745 1.00 0.00 H new HETATM 0 HB2 DLE A 12 -5.883 5.086 -1.672 1.00 0.00 H new HETATM 0 HA DLE A 12 -7.036 2.412 -2.387 1.00 0.00 H new ATOM 200 N TRP A 13 -7.665 3.266 0.052 1.00 0.00 N ATOM 201 CA TRP A 13 -7.919 3.329 1.521 1.00 0.00 C ATOM 202 C TRP A 13 -9.186 2.545 1.867 1.00 0.00 C ATOM 203 O TRP A 13 -10.278 2.905 1.478 1.00 0.00 O ATOM 204 CB TRP A 13 -8.092 4.787 1.952 1.00 0.00 C ATOM 205 CG TRP A 13 -8.364 4.838 3.422 1.00 0.00 C ATOM 206 CD1 TRP A 13 -9.568 5.101 3.979 1.00 0.00 C ATOM 207 CD2 TRP A 13 -7.439 4.624 4.528 1.00 0.00 C ATOM 208 NE1 TRP A 13 -9.441 5.061 5.355 1.00 0.00 N ATOM 209 CE2 TRP A 13 -8.149 4.771 5.742 1.00 0.00 C ATOM 210 CE3 TRP A 13 -6.067 4.318 4.594 1.00 0.00 C ATOM 211 CZ2 TRP A 13 -7.520 4.622 6.980 1.00 0.00 C ATOM 212 CZ3 TRP A 13 -5.432 4.168 5.837 1.00 0.00 C ATOM 213 CH2 TRP A 13 -6.157 4.319 7.028 1.00 0.00 C ATOM 0 H TRP A 13 -8.480 3.427 -0.541 1.00 0.00 H new ATOM 0 HA TRP A 13 -7.070 2.891 2.046 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.193 5.357 1.717 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -8.914 5.246 1.402 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -10.479 5.308 3.438 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -10.209 5.226 6.005 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.499 4.198 3.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -8.083 4.740 7.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -4.378 3.935 5.876 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -5.662 4.201 7.981 1.00 0.00 H new HETATM 224 N DLE A 14 -9.048 1.479 2.605 1.00 0.00 N HETATM 225 CA DLE A 14 -10.243 0.674 2.986 1.00 0.00 C HETATM 226 CB DLE A 14 -9.905 -0.182 4.209 1.00 0.00 C HETATM 227 CG DLE A 14 -9.329 0.712 5.308 1.00 0.00 C HETATM 228 CD1 DLE A 14 -10.453 1.535 5.940 1.00 0.00 C HETATM 229 CD2 DLE A 14 -8.673 -0.159 6.382 1.00 0.00 C HETATM 230 C DLE A 14 -10.645 -0.230 1.822 1.00 0.00 C HETATM 231 O DLE A 14 -9.989 -0.279 0.802 1.00 0.00 O HETATM 0 HD23 DLE A 14 -9.418 -0.829 6.812 1.00 0.00 H new HETATM 0 HD22 DLE A 14 -7.871 -0.747 5.934 1.00 0.00 H new HETATM 0 HD21 DLE A 14 -8.262 0.477 7.166 1.00 0.00 H new HETATM 0 HD13 DLE A 14 -10.923 2.156 5.177 1.00 0.00 H new HETATM 0 HD12 DLE A 14 -11.197 0.865 6.371 1.00 0.00 H new HETATM 0 HD11 DLE A 14 -10.042 2.172 6.723 1.00 0.00 H new HETATM 0 HG DLE A 14 -8.586 1.382 4.877 1.00 0.00 H new HETATM 0 HB3 DLE A 14 -10.799 -0.691 4.569 1.00 0.00 H new HETATM 0 HB2 DLE A 14 -9.186 -0.955 3.939 1.00 0.00 H new HETATM 0 HA DLE A 14 -11.072 1.341 3.224 1.00 0.00 H new HETATM 0 H DLE A 14 -8.185 1.398 3.143 1.00 0.00 H new ATOM 243 N TRP A 15 -11.727 -0.944 1.969 1.00 0.00 N ATOM 244 CA TRP A 15 -12.180 -1.846 0.874 1.00 0.00 C ATOM 245 C TRP A 15 -13.360 -1.204 0.140 1.00 0.00 C ATOM 246 O TRP A 15 -13.679 -0.050 0.348 1.00 0.00 O ATOM 247 CB TRP A 15 -12.617 -3.188 1.465 1.00 0.00 C ATOM 248 CG TRP A 15 -11.658 -4.255 1.038 1.00 0.00 C ATOM 249 CD1 TRP A 15 -11.609 -4.804 -0.197 1.00 0.00 C ATOM 250 CD2 TRP A 15 -10.615 -4.908 1.819 1.00 0.00 C ATOM 251 NE1 TRP A 15 -10.602 -5.753 -0.224 1.00 0.00 N ATOM 252 CE2 TRP A 15 -9.961 -5.854 0.995 1.00 0.00 C ATOM 253 CE3 TRP A 15 -10.178 -4.773 3.149 1.00 0.00 C ATOM 254 CZ2 TRP A 15 -8.910 -6.638 1.473 1.00 0.00 C ATOM 255 CZ3 TRP A 15 -9.121 -5.560 3.634 1.00 0.00 C ATOM 256 CH2 TRP A 15 -8.488 -6.491 2.797 1.00 0.00 C ATOM 0 H TRP A 15 -12.317 -0.941 2.801 1.00 0.00 H new ATOM 0 HA TRP A 15 -11.360 -2.007 0.174 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -12.648 -3.126 2.553 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -13.625 -3.434 1.131 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -12.250 -4.544 -1.026 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -10.362 -6.310 -1.044 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -10.659 -4.059 3.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -8.426 -7.353 0.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -8.794 -5.448 4.657 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -7.675 -7.093 3.175 1.00 0.00 H new HETATM 267 CA ETA A 16 -15.168 -1.373 -1.465 1.00 0.00 C HETATM 268 N ETA A 16 -14.009 -1.942 -0.718 1.00 0.00 N HETATM 269 CB ETA A 16 -15.348 -2.130 -2.781 1.00 0.00 C HETATM 270 O ETA A 16 -16.074 -3.328 -2.539 1.00 0.00 O HETATM 0 HO ETA A 16 -16.192 -3.815 -3.381 1.00 0.00 H new HETATM 0 HN1 ETA A 16 -13.480 -2.720 -1.113 1.00 0.00 H new HETATM 0 HB2 ETA A 16 -15.880 -1.508 -3.501 1.00 0.00 H new HETATM 0 HB1 ETA A 16 -14.376 -2.362 -3.216 1.00 0.00 H new HETATM 0 HA2 ETA A 16 -16.074 -1.448 -0.863 1.00 0.00 H new HETATM 0 HA1 ETA A 16 -15.003 -0.314 -1.662 1.00 0.00 H new TER 277 ETA A 16 HETATM 278 C FVA B 1 14.222 -4.334 2.329 1.00 0.00 C HETATM 279 N FVA B 1 13.236 -5.224 4.413 1.00 0.00 N HETATM 280 O FVA B 1 15.182 -3.991 1.670 1.00 0.00 O HETATM 281 CA FVA B 1 14.251 -4.279 3.858 1.00 0.00 C HETATM 282 CB FVA B 1 15.644 -4.672 4.356 1.00 0.00 C HETATM 283 CG1 FVA B 1 16.624 -3.529 4.087 1.00 0.00 C HETATM 284 CG2 FVA B 1 15.587 -4.951 5.860 1.00 0.00 C HETATM 291 O1 FVA B 1 12.620 -7.185 3.664 1.00 0.00 O HETATM 293 CN FVA B 1 13.509 -6.443 4.031 1.00 0.00 C HETATM 0 HG23 FVA B 1 15.253 -4.055 6.384 1.00 0.00 H new HETATM 0 HG22 FVA B 1 14.889 -5.766 6.053 1.00 0.00 H new HETATM 0 HG21 FVA B 1 16.578 -5.231 6.216 1.00 0.00 H new HETATM 0 HG13 FVA B 1 16.665 -3.329 3.016 1.00 0.00 H new HETATM 0 HG12 FVA B 1 16.291 -2.633 4.611 1.00 0.00 H new HETATM 0 HG11 FVA B 1 17.616 -3.809 4.442 1.00 0.00 H new HETATM 0 HN FVA B 1 14.540 -6.796 4.042 1.00 0.00 H new HETATM 0 HB FVA B 1 15.978 -5.567 3.832 1.00 0.00 H new HETATM 0 HA FVA B 1 14.019 -3.267 4.189 1.00 0.00 H new HETATM 0 H FVA B 1 12.447 -4.957 5.002 1.00 0.00 H new ATOM 297 N GLY B 2 13.126 -4.759 1.760 1.00 0.00 N ATOM 298 CA GLY B 2 13.036 -4.828 0.273 1.00 0.00 C ATOM 299 C GLY B 2 13.270 -3.434 -0.308 1.00 0.00 C ATOM 300 O GLY B 2 14.338 -2.868 -0.177 1.00 0.00 O ATOM 0 H GLY B 2 12.290 -5.061 2.260 1.00 0.00 H new ATOM 0 HA2 GLY B 2 13.776 -5.527 -0.116 1.00 0.00 H new ATOM 0 HA3 GLY B 2 12.057 -5.201 -0.027 1.00 0.00 H new ATOM 304 N ALA B 3 12.283 -2.866 -0.943 1.00 0.00 N ATOM 305 CA ALA B 3 12.469 -1.507 -1.515 1.00 0.00 C ATOM 306 C ALA B 3 11.133 -0.765 -1.551 1.00 0.00 C ATOM 307 O ALA B 3 10.071 -1.359 -1.563 1.00 0.00 O ATOM 308 CB ALA B 3 13.028 -1.610 -2.936 1.00 0.00 C ATOM 0 H ALA B 3 11.363 -3.281 -1.089 1.00 0.00 H new ATOM 0 HA ALA B 3 13.171 -0.958 -0.887 1.00 0.00 H new ATOM 0 HB1 ALA B 3 13.161 -0.610 -3.348 1.00 0.00 H new ATOM 0 HB2 ALA B 3 13.989 -2.124 -2.913 1.00 0.00 H new ATOM 0 HB3 ALA B 3 12.332 -2.170 -3.561 1.00 0.00 H new HETATM 314 N DLE B 4 11.186 0.536 -1.583 1.00 0.00 N HETATM 315 CA DLE B 4 9.939 1.342 -1.637 1.00 0.00 C HETATM 316 CB DLE B 4 10.121 2.445 -2.665 1.00 0.00 C HETATM 317 CG DLE B 4 10.066 1.905 -4.107 1.00 0.00 C HETATM 318 CD1 DLE B 4 10.164 0.372 -4.148 1.00 0.00 C HETATM 319 CD2 DLE B 4 8.752 2.345 -4.747 1.00 0.00 C HETATM 320 C DLE B 4 9.658 1.991 -0.280 1.00 0.00 C HETATM 321 O DLE B 4 10.372 2.866 0.167 1.00 0.00 O HETATM 0 HD23 DLE B 4 7.916 1.947 -4.172 1.00 0.00 H new HETATM 0 HD22 DLE B 4 8.699 3.434 -4.758 1.00 0.00 H new HETATM 0 HD21 DLE B 4 8.701 1.969 -5.769 1.00 0.00 H new HETATM 0 HD13 DLE B 4 11.106 0.056 -3.701 1.00 0.00 H new HETATM 0 HD12 DLE B 4 9.334 -0.061 -3.590 1.00 0.00 H new HETATM 0 HD11 DLE B 4 10.121 0.032 -5.183 1.00 0.00 H new HETATM 0 HG DLE B 4 10.918 2.307 -4.655 1.00 0.00 H new HETATM 0 HB3 DLE B 4 9.345 3.198 -2.530 1.00 0.00 H new HETATM 0 HB2 DLE B 4 11.078 2.940 -2.500 1.00 0.00 H new HETATM 0 HA DLE B 4 9.107 0.690 -1.901 1.00 0.00 H new HETATM 0 H DLE B 4 11.974 0.775 -2.184 1.00 0.00 H new ATOM 333 N ALA B 5 8.608 1.583 0.363 1.00 0.00 N ATOM 334 CA ALA B 5 8.256 2.178 1.681 1.00 0.00 C ATOM 335 C ALA B 5 6.973 1.525 2.194 1.00 0.00 C ATOM 336 O ALA B 5 5.969 2.177 2.404 1.00 0.00 O ATOM 337 CB ALA B 5 8.036 3.684 1.520 1.00 0.00 C ATOM 0 H ALA B 5 7.971 0.858 0.033 1.00 0.00 H new ATOM 0 HA ALA B 5 9.065 2.008 2.391 1.00 0.00 H new ATOM 0 HB1 ALA B 5 7.778 4.119 2.485 1.00 0.00 H new ATOM 0 HB2 ALA B 5 8.949 4.147 1.145 1.00 0.00 H new ATOM 0 HB3 ALA B 5 7.224 3.860 0.814 1.00 0.00 H new HETATM 343 N DVA B 6 6.994 0.239 2.387 1.00 0.00 N HETATM 344 CA DVA B 6 5.774 -0.458 2.876 1.00 0.00 C HETATM 345 CB DVA B 6 6.025 -0.967 4.288 1.00 0.00 C HETATM 346 CG1 DVA B 6 6.852 0.061 5.063 1.00 0.00 C HETATM 347 CG2 DVA B 6 4.686 -1.188 4.999 1.00 0.00 C HETATM 348 C DVA B 6 5.473 -1.642 1.950 1.00 0.00 C HETATM 349 O DVA B 6 6.334 -2.454 1.686 1.00 0.00 O HETATM 0 HG23 DVA B 6 4.139 -0.246 5.045 1.00 0.00 H new HETATM 0 HG22 DVA B 6 4.098 -1.922 4.448 1.00 0.00 H new HETATM 0 HG21 DVA B 6 4.867 -1.553 6.010 1.00 0.00 H new HETATM 0 HG13 DVA B 6 7.806 0.216 4.558 1.00 0.00 H new HETATM 0 HG12 DVA B 6 6.309 1.005 5.109 1.00 0.00 H new HETATM 0 HG11 DVA B 6 7.031 -0.304 6.074 1.00 0.00 H new HETATM 0 HB DVA B 6 6.570 -1.910 4.241 1.00 0.00 H new HETATM 0 HA DVA B 6 4.927 0.228 2.881 1.00 0.00 H new ATOM 359 N VAL B 7 4.270 -1.756 1.442 1.00 0.00 N ATOM 360 CA VAL B 7 3.973 -2.889 0.529 1.00 0.00 C ATOM 361 C VAL B 7 2.773 -2.563 -0.368 1.00 0.00 C ATOM 362 O VAL B 7 1.771 -3.249 -0.368 1.00 0.00 O ATOM 363 CB VAL B 7 3.680 -4.163 1.330 1.00 0.00 C ATOM 364 CG1 VAL B 7 4.180 -5.380 0.551 1.00 0.00 C ATOM 365 CG2 VAL B 7 4.389 -4.105 2.686 1.00 0.00 C ATOM 0 H VAL B 7 3.493 -1.119 1.621 1.00 0.00 H new ATOM 0 HA VAL B 7 4.850 -3.053 -0.097 1.00 0.00 H new ATOM 0 HB VAL B 7 2.605 -4.243 1.490 1.00 0.00 H new ATOM 0 HG11 VAL B 7 3.972 -6.286 1.120 1.00 0.00 H new ATOM 0 HG12 VAL B 7 3.671 -5.430 -0.411 1.00 0.00 H new ATOM 0 HG13 VAL B 7 5.254 -5.292 0.389 1.00 0.00 H new ATOM 0 HG21 VAL B 7 4.175 -5.014 3.248 1.00 0.00 H new ATOM 0 HG22 VAL B 7 5.464 -4.019 2.531 1.00 0.00 H new ATOM 0 HG23 VAL B 7 4.033 -3.240 3.246 1.00 0.00 H new HETATM 375 N DVA B 8 2.909 -1.554 -1.175 1.00 0.00 N HETATM 376 CA DVA B 8 1.829 -1.187 -2.145 1.00 0.00 C HETATM 377 CB DVA B 8 2.334 -1.581 -3.525 1.00 0.00 C HETATM 378 CG1 DVA B 8 2.466 -3.099 -3.598 1.00 0.00 C HETATM 379 CG2 DVA B 8 1.371 -1.083 -4.600 1.00 0.00 C HETATM 380 C DVA B 8 1.539 0.326 -2.162 1.00 0.00 C HETATM 381 O DVA B 8 2.304 1.103 -2.697 1.00 0.00 O HETATM 0 HG23 DVA B 8 0.387 -1.525 -4.440 1.00 0.00 H new HETATM 0 HG22 DVA B 8 1.294 0.003 -4.545 1.00 0.00 H new HETATM 0 HG21 DVA B 8 1.743 -1.371 -5.583 1.00 0.00 H new HETATM 0 HG13 DVA B 8 3.171 -3.440 -2.840 1.00 0.00 H new HETATM 0 HG12 DVA B 8 1.493 -3.558 -3.421 1.00 0.00 H new HETATM 0 HG11 DVA B 8 2.828 -3.386 -4.585 1.00 0.00 H new HETATM 0 HB DVA B 8 3.309 -1.125 -3.698 1.00 0.00 H new HETATM 0 HA DVA B 8 0.909 -1.696 -1.857 1.00 0.00 H new ATOM 391 N TRP B 9 0.421 0.756 -1.635 1.00 0.00 N ATOM 392 CA TRP B 9 0.107 2.213 -1.681 1.00 0.00 C ATOM 393 C TRP B 9 -1.039 2.534 -0.719 1.00 0.00 C ATOM 394 O TRP B 9 -2.191 2.415 -1.065 1.00 0.00 O ATOM 395 CB TRP B 9 -0.333 2.584 -3.102 1.00 0.00 C ATOM 396 CG TRP B 9 -0.341 4.068 -3.263 1.00 0.00 C ATOM 397 CD1 TRP B 9 -1.435 4.799 -3.557 1.00 0.00 C ATOM 398 CD2 TRP B 9 0.766 5.010 -3.155 1.00 0.00 C ATOM 399 NE1 TRP B 9 -1.078 6.133 -3.633 1.00 0.00 N ATOM 400 CE2 TRP B 9 0.269 6.314 -3.392 1.00 0.00 C ATOM 401 CE3 TRP B 9 2.136 4.864 -2.876 1.00 0.00 C ATOM 402 CZ2 TRP B 9 1.102 7.431 -3.354 1.00 0.00 C ATOM 403 CZ3 TRP B 9 2.977 5.988 -2.837 1.00 0.00 C ATOM 404 CH2 TRP B 9 2.461 7.269 -3.075 1.00 0.00 C ATOM 0 H TRP B 9 -0.279 0.169 -1.181 1.00 0.00 H new ATOM 0 HA TRP B 9 0.994 2.778 -1.394 1.00 0.00 H new ATOM 0 HB2 TRP B 9 0.343 2.135 -3.830 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -1.327 2.183 -3.300 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -2.430 4.406 -3.709 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -1.730 6.890 -3.841 1.00 0.00 H new ATOM 0 HE3 TRP B 9 2.544 3.881 -2.691 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 0.699 8.416 -3.539 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 4.028 5.864 -2.622 1.00 0.00 H new ATOM 0 HH2 TRP B 9 3.113 8.129 -3.043 1.00 0.00 H new HETATM 415 N DLE B 10 -0.746 2.941 0.483 1.00 0.00 N HETATM 416 CA DLE B 10 -1.858 3.262 1.426 1.00 0.00 C HETATM 417 CB DLE B 10 -1.567 4.545 2.234 1.00 0.00 C HETATM 418 CG DLE B 10 -0.102 4.617 2.687 1.00 0.00 C HETATM 419 CD1 DLE B 10 0.226 6.054 3.098 1.00 0.00 C HETATM 420 CD2 DLE B 10 0.112 3.696 3.888 1.00 0.00 C HETATM 421 C DLE B 10 -2.095 2.081 2.367 1.00 0.00 C HETATM 422 O DLE B 10 -1.224 1.667 3.105 1.00 0.00 O HETATM 0 HD23 DLE B 10 -0.535 4.010 4.707 1.00 0.00 H new HETATM 0 HD22 DLE B 10 -0.129 2.671 3.608 1.00 0.00 H new HETATM 0 HD21 DLE B 10 1.153 3.750 4.207 1.00 0.00 H new HETATM 0 HD13 DLE B 10 0.072 6.719 2.249 1.00 0.00 H new HETATM 0 HD12 DLE B 10 -0.426 6.356 3.918 1.00 0.00 H new HETATM 0 HD11 DLE B 10 1.265 6.112 3.421 1.00 0.00 H new HETATM 0 HG DLE B 10 0.545 4.304 1.868 1.00 0.00 H new HETATM 0 HB3 DLE B 10 -1.802 5.418 1.625 1.00 0.00 H new HETATM 0 HB2 DLE B 10 -2.219 4.580 3.107 1.00 0.00 H new HETATM 0 HA DLE B 10 -2.758 3.443 0.839 1.00 0.00 H new HETATM 0 H DLE B 10 0.074 3.546 0.437 1.00 0.00 H new ATOM 434 N TRP B 11 -3.277 1.526 2.330 1.00 0.00 N ATOM 435 CA TRP B 11 -3.590 0.365 3.203 1.00 0.00 C ATOM 436 C TRP B 11 -5.036 -0.072 2.958 1.00 0.00 C ATOM 437 O TRP B 11 -5.976 0.578 3.371 1.00 0.00 O ATOM 438 CB TRP B 11 -3.410 0.754 4.667 1.00 0.00 C ATOM 439 CG TRP B 11 -3.283 -0.489 5.487 1.00 0.00 C ATOM 440 CD1 TRP B 11 -4.308 -1.283 5.847 1.00 0.00 C ATOM 441 CD2 TRP B 11 -2.085 -1.092 6.041 1.00 0.00 C ATOM 442 NE1 TRP B 11 -3.820 -2.334 6.602 1.00 0.00 N ATOM 443 CE2 TRP B 11 -2.452 -2.259 6.747 1.00 0.00 C ATOM 444 CE3 TRP B 11 -0.734 -0.738 6.000 1.00 0.00 C ATOM 445 CZ2 TRP B 11 -1.505 -3.050 7.393 1.00 0.00 C ATOM 446 CZ3 TRP B 11 0.230 -1.530 6.649 1.00 0.00 C ATOM 447 CH2 TRP B 11 -0.155 -2.686 7.345 1.00 0.00 C ATOM 0 H TRP B 11 -4.042 1.831 1.728 1.00 0.00 H new ATOM 0 HA TRP B 11 -2.914 -0.458 2.970 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -2.523 1.376 4.785 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -4.261 1.345 5.007 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -5.345 -1.125 5.588 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -4.400 -3.072 7.001 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -0.428 0.150 5.466 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -1.811 -3.938 7.927 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 1.272 -1.247 6.612 1.00 0.00 H new ATOM 0 HH2 TRP B 11 0.588 -3.292 7.842 1.00 0.00 H new HETATM 458 N DLE B 12 -5.211 -1.165 2.278 1.00 0.00 N HETATM 459 CA DLE B 12 -6.586 -1.666 1.980 1.00 0.00 C HETATM 460 CB DLE B 12 -6.769 -3.099 2.511 1.00 0.00 C HETATM 461 CG DLE B 12 -5.799 -3.395 3.662 1.00 0.00 C HETATM 462 CD1 DLE B 12 -6.471 -3.070 4.996 1.00 0.00 C HETATM 463 CD2 DLE B 12 -5.428 -4.880 3.635 1.00 0.00 C HETATM 464 C DLE B 12 -6.785 -1.676 0.462 1.00 0.00 C HETATM 465 O DLE B 12 -5.853 -1.491 -0.291 1.00 0.00 O HETATM 0 HD23 DLE B 12 -6.329 -5.482 3.751 1.00 0.00 H new HETATM 0 HD22 DLE B 12 -4.952 -5.119 2.684 1.00 0.00 H new HETATM 0 HD21 DLE B 12 -4.738 -5.098 4.451 1.00 0.00 H new HETATM 0 HD13 DLE B 12 -6.747 -2.016 5.017 1.00 0.00 H new HETATM 0 HD12 DLE B 12 -7.366 -3.681 5.111 1.00 0.00 H new HETATM 0 HD11 DLE B 12 -5.780 -3.281 5.812 1.00 0.00 H new HETATM 0 HG DLE B 12 -4.903 -2.785 3.549 1.00 0.00 H new HETATM 0 HB3 DLE B 12 -7.795 -3.234 2.853 1.00 0.00 H new HETATM 0 HB2 DLE B 12 -6.606 -3.812 1.703 1.00 0.00 H new HETATM 0 HA DLE B 12 -7.313 -1.014 2.464 1.00 0.00 H new ATOM 477 N TRP B 13 -7.986 -1.901 0.002 1.00 0.00 N ATOM 478 CA TRP B 13 -8.216 -1.931 -1.472 1.00 0.00 C ATOM 479 C TRP B 13 -9.307 -0.930 -1.859 1.00 0.00 C ATOM 480 O TRP B 13 -10.420 -0.990 -1.378 1.00 0.00 O ATOM 481 CB TRP B 13 -8.646 -3.338 -1.889 1.00 0.00 C ATOM 482 CG TRP B 13 -8.758 -3.404 -3.378 1.00 0.00 C ATOM 483 CD1 TRP B 13 -9.908 -3.594 -4.065 1.00 0.00 C ATOM 484 CD2 TRP B 13 -7.702 -3.283 -4.374 1.00 0.00 C ATOM 485 NE1 TRP B 13 -9.624 -3.597 -5.419 1.00 0.00 N ATOM 486 CE2 TRP B 13 -8.277 -3.409 -5.660 1.00 0.00 C ATOM 487 CE3 TRP B 13 -6.312 -3.078 -4.287 1.00 0.00 C ATOM 488 CZ2 TRP B 13 -7.503 -3.335 -6.819 1.00 0.00 C ATOM 489 CZ3 TRP B 13 -5.531 -3.002 -5.451 1.00 0.00 C ATOM 490 CH2 TRP B 13 -6.125 -3.131 -6.714 1.00 0.00 C ATOM 0 H TRP B 13 -8.812 -2.064 0.577 1.00 0.00 H new ATOM 0 HA TRP B 13 -7.291 -1.660 -1.981 1.00 0.00 H new ATOM 0 HB2 TRP B 13 -7.921 -4.071 -1.535 1.00 0.00 H new ATOM 0 HB3 TRP B 13 -9.602 -3.588 -1.430 1.00 0.00 H new ATOM 0 HD1 TRP B 13 -10.887 -3.722 -3.628 1.00 0.00 H new ATOM 0 HE1 TRP B 13 -10.324 -3.723 -6.150 1.00 0.00 H new ATOM 0 HE3 TRP B 13 -5.844 -2.979 -3.319 1.00 0.00 H new ATOM 0 HZ2 TRP B 13 -7.966 -3.435 -7.790 1.00 0.00 H new ATOM 0 HZ3 TRP B 13 -4.466 -2.843 -5.373 1.00 0.00 H new ATOM 0 HH2 TRP B 13 -5.518 -3.073 -7.605 1.00 0.00 H new HETATM 501 N DLE B 14 -8.998 -0.016 -2.738 1.00 0.00 N HETATM 502 CA DLE B 14 -10.017 0.983 -3.169 1.00 0.00 C HETATM 503 CB DLE B 14 -9.422 1.878 -4.257 1.00 0.00 C HETATM 504 CG DLE B 14 -8.876 1.008 -5.390 1.00 0.00 C HETATM 505 CD1 DLE B 14 -10.039 0.397 -6.173 1.00 0.00 C HETATM 506 CD2 DLE B 14 -8.030 1.870 -6.330 1.00 0.00 C HETATM 507 C DLE B 14 -10.438 1.843 -1.975 1.00 0.00 C HETATM 508 O DLE B 14 -9.842 1.792 -0.919 1.00 0.00 O HETATM 0 HD23 DLE B 14 -8.647 2.666 -6.747 1.00 0.00 H new HETATM 0 HD22 DLE B 14 -7.200 2.307 -5.775 1.00 0.00 H new HETATM 0 HD21 DLE B 14 -7.640 1.252 -7.138 1.00 0.00 H new HETATM 0 HD13 DLE B 14 -10.645 -0.216 -5.506 1.00 0.00 H new HETATM 0 HD12 DLE B 14 -10.654 1.194 -6.592 1.00 0.00 H new HETATM 0 HD11 DLE B 14 -9.648 -0.223 -6.980 1.00 0.00 H new HETATM 0 HG DLE B 14 -8.262 0.211 -4.971 1.00 0.00 H new HETATM 0 HB3 DLE B 14 -10.183 2.558 -4.640 1.00 0.00 H new HETATM 0 HB2 DLE B 14 -8.625 2.494 -3.841 1.00 0.00 H new HETATM 0 HA DLE B 14 -10.890 0.461 -3.561 1.00 0.00 H new HETATM 0 H DLE B 14 -8.073 -0.018 -3.167 1.00 0.00 H new ATOM 520 N TRP B 15 -11.463 2.636 -2.138 1.00 0.00 N ATOM 521 CA TRP B 15 -11.924 3.501 -1.016 1.00 0.00 C ATOM 522 C TRP B 15 -13.140 2.861 -0.344 1.00 0.00 C ATOM 523 O TRP B 15 -13.851 2.079 -0.941 1.00 0.00 O ATOM 524 CB TRP B 15 -12.308 4.881 -1.556 1.00 0.00 C ATOM 525 CG TRP B 15 -11.335 5.898 -1.053 1.00 0.00 C ATOM 526 CD1 TRP B 15 -11.334 6.424 0.194 1.00 0.00 C ATOM 527 CD2 TRP B 15 -10.223 6.519 -1.760 1.00 0.00 C ATOM 528 NE1 TRP B 15 -10.291 7.328 0.297 1.00 0.00 N ATOM 529 CE2 TRP B 15 -9.578 7.422 -0.882 1.00 0.00 C ATOM 530 CE3 TRP B 15 -9.718 6.387 -3.066 1.00 0.00 C ATOM 531 CZ2 TRP B 15 -8.469 8.166 -1.286 1.00 0.00 C ATOM 532 CZ3 TRP B 15 -8.603 7.135 -3.476 1.00 0.00 C ATOM 533 CH2 TRP B 15 -7.980 8.023 -2.588 1.00 0.00 C ATOM 0 H TRP B 15 -12.001 2.722 -3.001 1.00 0.00 H new ATOM 0 HA TRP B 15 -11.120 3.608 -0.288 1.00 0.00 H new ATOM 0 HB2 TRP B 15 -12.309 4.870 -2.646 1.00 0.00 H new ATOM 0 HB3 TRP B 15 -13.318 5.140 -1.239 1.00 0.00 H new ATOM 0 HD1 TRP B 15 -12.033 6.179 0.980 1.00 0.00 H new ATOM 0 HE1 TRP B 15 -10.075 7.860 1.140 1.00 0.00 H new ATOM 0 HE3 TRP B 15 -10.191 5.706 -3.758 1.00 0.00 H new ATOM 0 HZ2 TRP B 15 -7.992 8.848 -0.598 1.00 0.00 H new ATOM 0 HZ3 TRP B 15 -8.223 7.026 -4.481 1.00 0.00 H new ATOM 0 HH2 TRP B 15 -7.123 8.596 -2.909 1.00 0.00 H new HETATM 544 CA ETA B 16 -14.551 2.597 1.607 1.00 0.00 C HETATM 545 N ETA B 16 -13.383 3.187 0.896 1.00 0.00 N HETATM 546 CB ETA B 16 -14.288 2.598 3.113 1.00 0.00 C HETATM 547 O ETA B 16 -13.937 1.285 3.528 1.00 0.00 O HETATM 0 HO ETA B 16 -13.766 1.282 4.493 1.00 0.00 H new HETATM 0 HN1 ETA B 16 -12.575 3.514 1.426 1.00 0.00 H new HETATM 0 HB2 ETA B 16 -13.485 3.295 3.353 1.00 0.00 H new HETATM 0 HB1 ETA B 16 -15.175 2.937 3.649 1.00 0.00 H new HETATM 0 HA2 ETA B 16 -15.452 3.169 1.384 1.00 0.00 H new HETATM 0 HA1 ETA B 16 -14.725 1.579 1.259 1.00 0.00 H new TER 554 ETA B 16