*HEADER DE NOVO PROTEIN, ANTIMICROBIAL PROTEIN 01-DEC-08 SMS20059 *TITLE SOLUTION STRUCTURE OF DESIGNED PEPTIDE, YI12WY IN THE PRESENCE OF LPS *TITLE 2 BILAYER *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: YI12WY; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; *SOURCE 4 ORGANISM_TAXID: 32630; *SOURCE 5 OTHER_DETAILS: CHEMICAL SYNTHESIS *KEYWDS DESIGNED PEPTIDE, LPS, TRNOE, ANTIMICROBIAL PEPTIDE, DE NOVO PROTEIN, *KEYWDS 2 ANTIMICROBIAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR A.BHUNIA, S.BHATTACHARJYA 1 TYR HA 2 VAL H 3.0 2.0 1 TYR QB 2 VAL H 3.5 2.0 1 TYR QD 1 TYR HA 3.5 2.0 1 TYR QE 1 TYR HA 5.5 2.0 1 TYR QE 1 TYR QB 4.0 2.0 1 TYR QE 3 LEU QB 4.5 2.0 1 TYR QE 3 LEU QD1 4.7 2.0 1 TYR QE 3 LEU QD2 4.8 2.0 1 TYR QE 2 VAL QG1 3.0 2.0 1 TYR QE 2 VAL QG2 4.3 2.0 2 VAL HA 3 LEU H 3.5 2.0 2 VAL HB 3 LEU H 3.3 2.0 2 VAL H 2 VAL QG1 3.5 2.0 2 VAL H 2 VAL QG2 3.8 2.0 2 VAL QG1 3 LEU H 3.5 2.0 2 VAL QG2 3 LEU H 3.5 2.0 2 VAL QG1 4 TRP HE3 5.5 2.0 2 VAL QG1 4 TRP HZ2 4.5 2.0 2 VAL QG1 4 TRP HZ3 4.0 2.0 2 VAL QG1 4 TRP HE3 4.0 2.0 2 VAL QG1 4 TRP HD1 5.5 2.0 2 VAL QG1 4 TRP HE1 5.5 2.0 2 VAL QG2 4 TRP HH2 4.0 2.0 2 VAL QG2 4 TRP HZ2 5.0 2.0 2 VAL QG2 4 TRP HZ3 4.0 2.0 2 VAL QG2 4 TRP HE3 4.0 2.0 2 VAL QG2 4 TRP HD1 5.0 2.0 2 VAL QG2 4 TRP HE1 4.0 2.0 2 VAL HA 1 TYR QB 4.9 2.0 2 VAL HA 3 LEU QB 4.6 2.0 2 VAL HA 2 VAL QG1 3.5 2.0 2 VAL HA 2 VAL QG2 3.5 2.0 3 LEU HA 4 TRP H 3.5 2.0 3 LEU H 4 TRP H 2.6 2.0 3 LEU H 5 LYS H 3.6 2.0 3 LEU HA 5 LYS H 4.1 2.0 3 LEU QB 4 TRP H 3.5 2.0 3 LEU H 2 VAL QG1 4.0 2.0 3 LEU H 2 VAL QG2 4.0 2.0 3 LEU QD1 4 TRP HH2 4.6 2.0 3 LEU QD1 4 TRP HZ2 4.0 2.0 3 LEU QD1 4 TRP HZ3 4.5 2.0 3 LEU QD1 4 TRP HE3 4.0 2.0 3 LEU QD1 4 TRP HD1 5.0 2.0 3 LEU QD1 4 TRP HE1 4.0 2.0 3 LEU QD2 4 TRP HZ2 5.7 2.0 3 LEU QD2 4 TRP HZ3 5.8 2.0 3 LEU QD2 4 TRP HE3 4.4 2.0 3 LEU QD2 4 TRP HD1 4.0 2.0 3 LEU QD2 4 TRP HE1 4.0 2.0 3 LEU QB 2 VAL QG1 4.0 2.0 3 LEU QB 2 VAL QG2 3.5 2.0 3 LEU QB 3 LEU QD1 3.0 2.0 3 LEU QB 3 LEU QD2 3.0 2.0 4 TRP HA 5 LYS H 3.5 2.0 4 TRP H 5 LYS H 2.4 2.0 4 TRP QB 5 LYS H 4.0 2.0 4 TRP H 3 LEU QD1 3.5 2.0 4 TRP H 3 LEU QD2 3.5 2.0 4 TRP H 2 VAL QG1 3.6 2.0 4 TRP H 2 VAL QG2 3.6 2.0 4 TRP QB 3 LEU QD1 4.0 2.0 4 TRP QB 2 VAL QG1 4.0 2.0 4 TRP HA 6 ARG H 5.0 2.0 4 TRP HA 7 LYS H 4.5 2.0 4 TRP QB 9 TYR HD1 4.0 2.0 4 TRP HZ2 9 TYR QB 4.0 2.0 4 TRP HH2 9 TYR QB 4.0 2.0 4 TRP HE3 9 TYR QB 4.0 2.0 4 TRP HE1 9 TYR QB 5.2 2.0 5 LYS HA 6 ARG H 3.5 2.0 5 LYS H 6 ARG H 3.0 2.0 5 LYS QB 6 ARG H 3.3 2.0 6 ARG HA 7 LYS H 3.5 2.0 6 ARG H 7 LYS H 3.3 2.0 6 ARG QB 7 LYS H 3.0 2.0 7 LYS HA 8 ARG H 3.5 2.0 7 LYS QB 8 ARG H 3.0 2.0 8 ARG HA 9 TYR H 3.5 2.0 8 ARG H 9 TYR H 2.8 2.0 8 ARG H 10 ILE H 4.5 2.0 8 ARG HA 10 ILE H 4.0 2.0 8 ARG QB 9 TYR H 3.0 2.0 9 TYR HA 10 ILE H 3.5 2.0 9 TYR H 10 ILE H 3.2 2.0 9 TYR QB 11 PHE HD2 4.8 2.0 9 TYR QB 11 PHE HE1 4.5 2.0 10 ILE HA 11 PHE H 3.5 2.0 10 ILE H 11 PHE H 3.5 2.0 10 ILE HB 11 PHE H 3.0 2.0 10 ILE HB 11 PHE HE2 4.8 2.0 11 PHE HA 12 ILE H 3.5 2.0 11 PHE H 12 ILE H 2.8 2.0 11 PHE QB 12 ILE H 3.0 2.0 11 PHE H 12 ILE QD1 4.4 2.0 11 PHE HE2 9 TYR QB 4.0 2.0 11 PHE HZ 9 TYR QB 4.0 2.0 6 ARG HG3 8 ARG HD3 4.0 2.0 6 ARG QB 8 ARG QB 4.5 2.0 7 LYS QB 8 ARG QB 4.6 2.0 6 ARG QD 7 LYS QD 4.0 2.0 7 LYS HE2 8 ARG HD2 4.5 2.0 12 ILE HD11 11 PHE HD2 5.0 2.0 12 ILE HG12 11 PHE HD1 4.0 2.0 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 TYR 1 H TYR 1 1.807 0.001 0.855 2 HA TYR 1 HA TYR 1 1.407 -0.195 -2.053 3 HB2 TYR 1 2HB TYR 1 2.661 1.634 -2.504 4 HB3 TYR 1 3HB TYR 1 2.233 2.104 -0.863 5 HD1 TYR 1 HD2 TYR 1 4.893 0.779 -3.015 6 HD2 TYR 1 HD1 TYR 1 3.866 2.039 0.917 7 HE1 TYR 1 HE2 TYR 1 7.278 0.837 -2.416 8 HE2 TYR 1 HE1 TYR 1 6.248 2.102 1.526 9 HH TYR 1 HH TYR 1 8.773 1.412 -0.865 10 H VAL 2 H VAL 2 3.504 -0.820 -3.176 11 HA VAL 2 HA VAL 2 4.387 -3.294 -2.181 12 HB VAL 2 HB VAL 2 4.409 -2.422 -4.608 13 HG11 VAL 2 1HG1 VAL 2 7.217 -1.822 -4.535 14 HG12 VAL 2 2HG1 VAL 2 5.888 -0.875 -5.206 15 HG13 VAL 2 3HG1 VAL 2 6.326 -0.699 -3.507 16 HG21 VAL 2 3HG2 VAL 2 5.890 -4.424 -3.252 17 HG22 VAL 2 1HG2 VAL 2 5.342 -4.410 -4.928 18 HG23 VAL 2 2HG2 VAL 2 6.923 -3.749 -4.512 19 H LEU 3 H LEU 3 7.225 -2.987 -2.876 20 HA LEU 3 HA LEU 3 8.182 -1.498 -0.525 21 HB2 LEU 3 2HB LEU 3 9.684 -3.244 0.053 22 HB3 LEU 3 3HB LEU 3 8.082 -3.957 -0.126 23 HG LEU 3 HG LEU 3 9.673 -5.468 -1.058 24 HD11 LEU 3 1HD1 LEU 3 8.711 -5.843 -3.128 25 HD12 LEU 3 2HD1 LEU 3 8.572 -4.123 -3.492 26 HD13 LEU 3 3HD1 LEU 3 7.491 -4.864 -2.313 27 HD21 LEU 3 3HD2 LEU 3 11.269 -3.377 -1.512 28 HD22 LEU 3 1HD2 LEU 3 10.626 -3.592 -3.140 29 HD23 LEU 3 2HD2 LEU 3 11.462 -4.923 -2.340 30 H TRP 4 H TRP 4 8.594 -2.413 -3.818 31 HA TRP 4 HA TRP 4 11.076 -0.827 -3.943 32 HB2 TRP 4 2HB TRP 4 11.344 -2.198 -6.174 33 HB3 TRP 4 3HB TRP 4 11.817 -2.902 -4.630 34 HD1 TRP 4 HD1 TRP 4 11.143 -5.362 -4.597 35 HE1 TRP 4 HE1 TRP 4 9.104 -6.734 -5.360 36 HE3 TRP 4 HE3 TRP 4 8.383 -1.610 -6.705 37 HZ2 TRP 4 HZ2 TRP 4 6.650 -6.286 -6.682 38 HZ3 TRP 4 HZ3 TRP 4 6.201 -2.167 -7.698 39 HH2 TRP 4 HH2 TRP 4 5.355 -4.457 -7.686 40 H LYS 5 H LYS 5 8.306 0.110 -4.106 41 HA LYS 5 HA LYS 5 7.591 0.634 -6.792 42 HB2 LYS 5 2HB LYS 5 6.476 1.090 -4.265 43 HB3 LYS 5 3HB LYS 5 6.695 2.691 -4.960 44 HG2 LYS 5 2HG LYS 5 5.422 0.542 -6.591 45 HG3 LYS 5 3HG LYS 5 4.483 1.379 -5.352 46 HD2 LYS 5 2HD LYS 5 5.248 3.542 -6.431 47 HD3 LYS 5 3HD LYS 5 5.840 2.555 -7.769 48 HE2 LYS 5 2HE LYS 5 3.769 2.166 -8.557 49 HE3 LYS 5 3HE LYS 5 3.083 1.977 -6.944 50 HZ1 LYS 5 3HZ LYS 5 3.871 4.652 -7.877 51 HZ2 LYS 5 1HZ LYS 5 2.684 4.215 -6.754 52 HZ3 LYS 5 2HZ LYS 5 2.408 3.987 -8.407 53 H ARG 6 H ARG 6 10.079 1.854 -4.873 54 HA ARG 6 HA ARG 6 10.298 4.519 -5.513 55 HB2 ARG 6 2HB ARG 6 11.861 3.558 -3.991 56 HB3 ARG 6 3HB ARG 6 12.432 2.412 -5.196 57 HG2 ARG 6 2HG ARG 6 14.020 4.244 -4.779 58 HG3 ARG 6 3HG ARG 6 13.472 4.180 -6.456 59 HD2 ARG 6 2HD ARG 6 12.684 6.254 -6.331 60 HD3 ARG 6 3HD ARG 6 11.720 5.847 -4.913 61 HE ARG 6 HE ARG 6 14.497 6.282 -4.326 62 HH11 ARG 6 1HH1 ARG 6 11.396 7.802 -4.767 63 HH12 ARG 6 2HH1 ARG 6 11.793 9.188 -3.808 64 HH21 ARG 6 1HH2 ARG 6 15.032 8.103 -3.060 65 HH22 ARG 6 2HH2 ARG 6 13.862 9.359 -2.838 66 H LYS 7 H LYS 7 12.333 2.151 -7.203 67 HA LYS 7 HA LYS 7 11.487 3.154 -9.790 68 HB2 LYS 7 2HB LYS 7 14.349 3.431 -8.852 69 HB3 LYS 7 3HB LYS 7 13.786 3.726 -10.492 70 HG2 LYS 7 2HG LYS 7 12.400 5.562 -9.704 71 HG3 LYS 7 3HG LYS 7 12.917 5.253 -8.045 72 HD2 LYS 7 2HD LYS 7 14.846 5.889 -10.267 73 HD3 LYS 7 3HD LYS 7 14.106 7.133 -9.256 74 HE2 LYS 7 2HE LYS 7 15.502 4.810 -7.993 75 HE3 LYS 7 3HE LYS 7 16.441 6.161 -8.628 76 HZ1 LYS 7 3HZ LYS 7 14.309 7.157 -7.087 77 HZ2 LYS 7 1HZ LYS 7 15.972 7.319 -6.819 78 HZ3 LYS 7 2HZ LYS 7 15.137 5.996 -6.177 79 H ARG 8 H ARG 8 13.187 0.894 -7.796 80 HA ARG 8 HA ARG 8 14.474 -0.772 -9.522 81 HB2 ARG 8 2HB ARG 8 12.959 -1.212 -7.002 82 HB3 ARG 8 3HB ARG 8 13.379 -2.637 -7.944 83 HG2 ARG 8 2HG ARG 8 15.056 -2.210 -6.256 84 HG3 ARG 8 3HG ARG 8 15.738 -1.986 -7.868 85 HD2 ARG 8 2HD ARG 8 15.812 0.327 -7.651 86 HD3 ARG 8 3HD ARG 8 14.614 0.340 -6.357 87 HE ARG 8 HE ARG 8 16.975 -1.035 -5.573 88 HH11 ARG 8 1HH1 ARG 8 15.639 2.144 -6.050 89 HH12 ARG 8 2HH1 ARG 8 16.690 2.901 -4.899 90 HH21 ARG 8 1HH2 ARG 8 18.364 -0.051 -4.055 91 HH22 ARG 8 2HH2 ARG 8 18.240 1.652 -3.765 92 H TYR 9 H TYR 9 11.018 -0.389 -9.136 93 HA TYR 9 HA TYR 9 10.610 -2.323 -11.323 94 HB2 TYR 9 2HB TYR 9 8.944 -1.755 -8.884 95 HB3 TYR 9 3HB TYR 9 8.234 -2.481 -10.321 96 HD1 TYR 9 HD1 TYR 9 11.371 -2.979 -8.337 97 HD2 TYR 9 HD2 TYR 9 7.963 -4.758 -10.160 98 HE1 TYR 9 HE1 TYR 9 12.132 -5.194 -7.585 99 HE2 TYR 9 HE2 TYR 9 8.714 -6.977 -9.412 100 HH TYR 9 HH TYR 9 10.798 -8.089 -8.754 101 H ILE 10 H ILE 10 11.239 0.286 -11.916 102 HA ILE 10 HA ILE 10 9.445 2.260 -12.139 103 HB ILE 10 HB ILE 10 11.290 1.188 -14.255 104 HG12 ILE 10 2HG1 ILE 10 11.703 3.905 -13.343 105 HG13 ILE 10 3HG1 ILE 10 11.626 2.794 -11.980 106 HG21 ILE 10 1HG2 ILE 10 10.816 3.554 -15.286 107 HG22 ILE 10 2HG2 ILE 10 9.790 2.176 -15.680 108 HG23 ILE 10 3HG2 ILE 10 9.259 3.355 -14.481 109 HD11 ILE 10 3HD1 ILE 10 13.320 1.386 -13.260 110 HD12 ILE 10 1HD1 ILE 10 13.548 2.809 -14.275 111 HD13 ILE 10 2HD1 ILE 10 13.883 2.896 -12.546 112 H PHE 11 H PHE 11 9.546 -0.458 -14.449 113 HA PHE 11 HA PHE 11 7.396 0.146 -16.017 114 HB2 PHE 11 2HB PHE 11 7.077 -2.357 -16.247 115 HB3 PHE 11 3HB PHE 11 8.706 -1.767 -16.560 116 HD1 PHE 11 HD2 PHE 11 10.452 -2.024 -14.778 117 HD2 PHE 11 HD1 PHE 11 6.655 -3.934 -14.565 118 HE1 PHE 11 HE2 PHE 11 11.343 -3.601 -13.113 119 HE2 PHE 11 HE1 PHE 11 7.539 -5.514 -12.898 120 HZ PHE 11 HZ PHE 11 9.886 -5.350 -12.171 121 H ILE 12 H ILE 12 7.280 -1.710 -12.980 122 HA ILE 12 HA ILE 12 4.622 -0.673 -12.450 123 HB ILE 12 HB ILE 12 5.154 -3.599 -12.904 124 HG12 ILE 12 2HG1 ILE 12 2.734 -3.065 -13.978 125 HG13 ILE 12 3HG1 ILE 12 3.482 -1.479 -14.124 126 HG21 ILE 12 1HG2 ILE 12 4.054 -3.811 -10.907 127 HG22 ILE 12 2HG2 ILE 12 3.170 -2.299 -11.107 128 HG23 ILE 12 3HG2 ILE 12 2.683 -3.731 -12.014 129 HD11 ILE 12 3HD1 ILE 12 3.913 -2.571 -16.147 130 HD12 ILE 12 1HD1 ILE 12 5.423 -2.663 -15.241 131 HD13 ILE 12 2HD1 ILE 12 4.366 -4.071 -15.338 Start of MODEL 2 1 H1 TYR 1 H TYR 1 1.188 -0.167 0.680 2 HA TYR 1 HA TYR 1 0.954 -0.353 -2.252 3 HB2 TYR 1 2HB TYR 1 2.237 1.493 -2.507 4 HB3 TYR 1 3HB TYR 1 1.730 1.848 -0.860 5 HD1 TYR 1 HD2 TYR 1 4.487 0.658 -2.968 6 HD2 TYR 1 HD1 TYR 1 3.272 1.641 0.989 7 HE1 TYR 1 HE2 TYR 1 6.840 0.653 -2.251 8 HE2 TYR 1 HE1 TYR 1 5.622 1.639 1.717 9 HH TYR 1 HH TYR 1 8.254 0.962 -0.573 10 H VAL 2 H VAL 2 3.101 -0.915 -3.311 11 HA VAL 2 HA VAL 2 3.921 -3.460 -2.452 12 HB VAL 2 HB VAL 2 4.068 -2.419 -4.807 13 HG11 VAL 2 1HG1 VAL 2 5.583 -0.848 -5.222 14 HG12 VAL 2 2HG1 VAL 2 5.935 -0.793 -3.494 15 HG13 VAL 2 3HG1 VAL 2 6.872 -1.848 -4.553 16 HG21 VAL 2 3HG2 VAL 2 6.567 -3.770 -4.682 17 HG22 VAL 2 1HG2 VAL 2 5.470 -4.523 -3.525 18 HG23 VAL 2 2HG2 VAL 2 5.006 -4.389 -5.221 19 H LEU 3 H LEU 3 6.792 -3.127 -2.984 20 HA LEU 3 HA LEU 3 7.637 -1.818 -0.487 21 HB2 LEU 3 2HB LEU 3 9.099 -3.613 0.038 22 HB3 LEU 3 3HB LEU 3 7.506 -4.298 -0.273 23 HG LEU 3 HG LEU 3 9.136 -5.751 -1.230 24 HD11 LEU 3 1HD1 LEU 3 8.278 -5.970 -3.366 25 HD12 LEU 3 2HD1 LEU 3 8.164 -4.228 -3.612 26 HD13 LEU 3 3HD1 LEU 3 7.022 -5.043 -2.545 27 HD21 LEU 3 3HD2 LEU 3 10.201 -3.740 -3.122 28 HD22 LEU 3 1HD2 LEU 3 10.990 -5.129 -2.374 29 HD23 LEU 3 2HD2 LEU 3 10.761 -3.643 -1.452 30 H TRP 4 H TRP 4 8.208 -2.498 -3.813 31 HA TRP 4 HA TRP 4 10.700 -0.927 -3.702 32 HB2 TRP 4 2HB TRP 4 11.075 -2.138 -6.008 33 HB3 TRP 4 3HB TRP 4 11.466 -2.955 -4.496 34 HD1 TRP 4 HD1 TRP 4 10.783 -5.405 -4.678 35 HE1 TRP 4 HE1 TRP 4 8.778 -6.704 -5.638 36 HE3 TRP 4 HE3 TRP 4 8.143 -1.490 -6.637 37 HZ2 TRP 4 HZ2 TRP 4 6.394 -6.142 -7.040 38 HZ3 TRP 4 HZ3 TRP 4 6.010 -1.956 -7.772 39 HH2 TRP 4 HH2 TRP 4 5.156 -4.235 -7.969 40 H LYS 5 H LYS 5 7.947 0.042 -3.935 41 HA LYS 5 HA LYS 5 7.369 0.759 -6.610 42 HB2 LYS 5 2HB LYS 5 6.131 1.044 -4.115 43 HB3 LYS 5 3HB LYS 5 6.388 2.688 -4.685 44 HG2 LYS 5 2HG LYS 5 5.266 0.775 -6.636 45 HG3 LYS 5 3HG LYS 5 4.224 1.248 -5.292 46 HD2 LYS 5 2HD LYS 5 4.152 3.453 -5.948 47 HD3 LYS 5 3HD LYS 5 5.698 3.362 -6.795 48 HE2 LYS 5 2HE LYS 5 3.982 3.553 -8.440 49 HE3 LYS 5 3HE LYS 5 4.587 1.898 -8.491 50 HZ1 LYS 5 3HZ LYS 5 2.156 2.704 -6.996 51 HZ2 LYS 5 1HZ LYS 5 2.688 1.132 -7.322 52 HZ3 LYS 5 2HZ LYS 5 2.124 2.112 -8.580 53 H ARG 6 H ARG 6 9.778 1.805 -4.509 54 HA ARG 6 HA ARG 6 10.046 4.508 -4.911 55 HB2 ARG 6 2HB ARG 6 11.552 3.375 -3.439 56 HB3 ARG 6 3HB ARG 6 12.163 2.365 -4.743 57 HG2 ARG 6 2HG ARG 6 13.740 4.127 -4.099 58 HG3 ARG 6 3HG ARG 6 13.219 4.275 -5.778 59 HD2 ARG 6 2HD ARG 6 12.238 6.259 -5.420 60 HD3 ARG 6 3HD ARG 6 11.544 5.741 -3.884 61 HE ARG 6 HE ARG 6 13.276 6.773 -2.823 62 HH11 ARG 6 1HH1 ARG 6 14.207 6.153 -6.120 63 HH12 ARG 6 2HH1 ARG 6 15.716 6.995 -5.989 64 HH21 ARG 6 1HH2 ARG 6 15.260 7.884 -2.638 65 HH22 ARG 6 2HH2 ARG 6 16.314 7.978 -4.008 66 H LYS 7 H LYS 7 12.065 2.245 -6.764 67 HA LYS 7 HA LYS 7 11.287 3.408 -9.283 68 HB2 LYS 7 2HB LYS 7 13.274 4.742 -7.945 69 HB3 LYS 7 3HB LYS 7 14.197 3.629 -8.945 70 HG2 LYS 7 2HG LYS 7 13.173 4.486 -10.941 71 HG3 LYS 7 3HG LYS 7 12.084 5.500 -9.992 72 HD2 LYS 7 2HD LYS 7 13.901 6.842 -10.861 73 HD3 LYS 7 3HD LYS 7 14.041 6.718 -9.105 74 HE2 LYS 7 2HE LYS 7 15.676 4.867 -9.438 75 HE3 LYS 7 3HE LYS 7 15.610 5.181 -11.172 76 HZ1 LYS 7 3HZ LYS 7 16.314 7.500 -10.642 77 HZ2 LYS 7 1HZ LYS 7 17.481 6.321 -10.310 78 HZ3 LYS 7 2HZ LYS 7 16.587 7.005 -9.048 79 H ARG 8 H ARG 8 13.142 1.172 -7.387 80 HA ARG 8 HA ARG 8 14.560 -0.282 -9.203 81 HB2 ARG 8 2HB ARG 8 13.128 -0.959 -6.696 82 HB3 ARG 8 3HB ARG 8 13.608 -2.309 -7.716 83 HG2 ARG 8 2HG ARG 8 15.269 -1.789 -5.987 84 HG3 ARG 8 3HG ARG 8 15.916 -1.616 -7.620 85 HD2 ARG 8 2HD ARG 8 15.630 0.793 -7.501 86 HD3 ARG 8 3HD ARG 8 14.902 0.647 -5.902 87 HE ARG 8 HE ARG 8 17.311 -0.512 -5.564 88 HH11 ARG 8 1HH1 ARG 8 16.323 2.537 -6.925 89 HH12 ARG 8 2HH1 ARG 8 17.778 3.360 -6.470 90 HH21 ARG 8 1HH2 ARG 8 19.231 0.561 -4.960 91 HH22 ARG 8 2HH2 ARG 8 19.432 2.234 -5.354 92 H TYR 9 H TYR 9 11.094 -0.161 -8.832 93 HA TYR 9 HA TYR 9 10.828 -2.054 -11.076 94 HB2 TYR 9 2HB TYR 9 9.099 -1.645 -8.648 95 HB3 TYR 9 3HB TYR 9 8.455 -2.380 -10.112 96 HD1 TYR 9 HD1 TYR 9 11.590 -2.733 -8.093 97 HD2 TYR 9 HD2 TYR 9 8.319 -4.672 -10.003 98 HE1 TYR 9 HE1 TYR 9 12.474 -4.914 -7.380 99 HE2 TYR 9 HE2 TYR 9 9.193 -6.858 -9.293 100 HH TYR 9 HH TYR 9 12.189 -7.112 -7.397 101 H ILE 10 H ILE 10 11.311 0.591 -11.612 102 HA ILE 10 HA ILE 10 9.422 2.473 -11.807 103 HB ILE 10 HB ILE 10 11.304 1.531 -13.954 104 HG12 ILE 10 2HG1 ILE 10 11.660 4.226 -13.008 105 HG13 ILE 10 3HG1 ILE 10 11.558 3.126 -11.637 106 HG21 ILE 10 1HG2 ILE 10 9.735 2.498 -15.328 107 HG22 ILE 10 2HG2 ILE 10 9.204 3.642 -14.097 108 HG23 ILE 10 3HG2 ILE 10 10.739 3.891 -14.928 109 HD11 ILE 10 3HD1 ILE 10 13.249 1.800 -13.322 110 HD12 ILE 10 1HD1 ILE 10 13.677 3.488 -13.600 111 HD13 ILE 10 2HD1 ILE 10 13.737 2.819 -11.968 112 H PHE 11 H PHE 11 9.657 -0.196 -14.163 113 HA PHE 11 HA PHE 11 7.477 0.329 -15.721 114 HB2 PHE 11 2HB PHE 11 7.283 -2.183 -15.994 115 HB3 PHE 11 3HB PHE 11 8.878 -1.505 -16.302 116 HD1 PHE 11 HD2 PHE 11 10.645 -1.706 -14.536 117 HD2 PHE 11 HD1 PHE 11 6.949 -3.806 -14.334 118 HE1 PHE 11 HE2 PHE 11 11.624 -3.264 -12.902 119 HE2 PHE 11 HE1 PHE 11 7.921 -5.367 -12.699 120 HZ PHE 11 HZ PHE 11 10.262 -5.098 -11.982 121 H ILE 12 H ILE 12 7.458 -1.587 -12.719 122 HA ILE 12 HA ILE 12 4.751 -0.696 -12.170 123 HB ILE 12 HB ILE 12 5.432 -3.583 -12.675 124 HG12 ILE 12 2HG1 ILE 12 2.988 -3.155 -13.742 125 HG13 ILE 12 3HG1 ILE 12 3.654 -1.530 -13.860 126 HG21 ILE 12 1HG2 ILE 12 4.376 -3.701 -10.580 127 HG22 ILE 12 2HG2 ILE 12 3.224 -2.434 -10.996 128 HG23 ILE 12 3HG2 ILE 12 3.099 -4.022 -11.753 129 HD11 ILE 12 3HD1 ILE 12 4.139 -2.567 -15.901 130 HD12 ILE 12 1HD1 ILE 12 5.652 -2.594 -14.996 131 HD13 ILE 12 2HD1 ILE 12 4.670 -4.054 -15.116 Start of MODEL 3 1 H1 TYR 1 H TYR 1 1.008 -0.979 0.497 2 HA TYR 1 HA TYR 1 1.140 -0.175 -2.061 3 HB2 TYR 1 2HB TYR 1 2.442 1.653 -2.354 4 HB3 TYR 1 3HB TYR 1 2.001 2.006 -0.687 5 HD1 TYR 1 HD1 TYR 1 4.661 0.786 -2.902 6 HD2 TYR 1 HD2 TYR 1 3.607 1.761 1.103 7 HE1 TYR 1 HE1 TYR 1 7.038 0.742 -2.272 8 HE2 TYR 1 HE2 TYR 1 5.981 1.721 1.744 9 HH TYR 1 HH TYR 1 8.122 0.530 0.799 10 H VAL 2 H VAL 2 3.238 -0.764 -3.201 11 HA VAL 2 HA VAL 2 4.050 -3.326 -2.386 12 HB VAL 2 HB VAL 2 4.127 -2.275 -4.739 13 HG11 VAL 2 1HG1 VAL 2 6.063 -0.683 -3.487 14 HG12 VAL 2 2HG1 VAL 2 6.946 -1.745 -4.586 15 HG13 VAL 2 3HG1 VAL 2 5.647 -0.722 -5.200 16 HG21 VAL 2 3HG2 VAL 2 6.609 -3.662 -4.712 17 HG22 VAL 2 1HG2 VAL 2 5.543 -4.406 -3.519 18 HG23 VAL 2 2HG2 VAL 2 5.021 -4.255 -5.197 19 H LEU 3 H LEU 3 6.904 -3.037 -3.019 20 HA LEU 3 HA LEU 3 7.860 -1.754 -0.549 21 HB2 LEU 3 2HB LEU 3 9.311 -3.575 -0.086 22 HB3 LEU 3 3HB LEU 3 7.697 -4.234 -0.343 23 HG LEU 3 HG LEU 3 9.269 -5.706 -1.365 24 HD11 LEU 3 1HD1 LEU 3 8.238 -4.154 -3.703 25 HD12 LEU 3 2HD1 LEU 3 7.122 -4.959 -2.601 26 HD13 LEU 3 3HD1 LEU 3 8.334 -5.900 -3.471 27 HD21 LEU 3 3HD2 LEU 3 11.093 -5.105 -2.569 28 HD22 LEU 3 1HD2 LEU 3 10.916 -3.620 -1.634 29 HD23 LEU 3 2HD2 LEU 3 10.298 -3.702 -3.284 30 H TRP 4 H TRP 4 8.297 -2.423 -3.897 31 HA TRP 4 HA TRP 4 10.815 -0.890 -3.869 32 HB2 TRP 4 2HB TRP 4 11.094 -2.098 -6.189 33 HB3 TRP 4 3HB TRP 4 11.523 -2.927 -4.695 34 HD1 TRP 4 HD1 TRP 4 10.800 -5.367 -4.871 35 HE1 TRP 4 HE1 TRP 4 8.743 -6.630 -5.766 36 HE3 TRP 4 HE3 TRP 4 8.148 -1.401 -6.708 37 HZ2 TRP 4 HZ2 TRP 4 6.318 -6.025 -7.077 38 HZ3 TRP 4 HZ3 TRP 4 5.969 -1.829 -7.767 39 HH2 TRP 4 HH2 TRP 4 5.075 -4.093 -7.948 40 H LYS 5 H LYS 5 8.071 0.120 -4.000 41 HA LYS 5 HA LYS 5 7.401 0.851 -6.648 42 HB2 LYS 5 2HB LYS 5 6.270 1.158 -4.106 43 HB3 LYS 5 3HB LYS 5 6.540 2.798 -4.682 44 HG2 LYS 5 2HG LYS 5 5.221 0.798 -6.463 45 HG3 LYS 5 3HG LYS 5 4.297 1.596 -5.187 46 HD2 LYS 5 2HD LYS 5 4.250 3.551 -6.289 47 HD3 LYS 5 3HD LYS 5 5.939 3.420 -6.783 48 HE2 LYS 5 2HE LYS 5 5.424 2.273 -8.712 49 HE3 LYS 5 3HE LYS 5 3.908 1.650 -8.063 50 HZ1 LYS 5 3HZ LYS 5 3.028 3.945 -8.193 51 HZ2 LYS 5 1HZ LYS 5 3.421 3.292 -9.703 52 HZ3 LYS 5 2HZ LYS 5 4.449 4.421 -8.977 53 H ARG 6 H ARG 6 9.910 1.857 -4.643 54 HA ARG 6 HA ARG 6 10.210 4.554 -5.071 55 HB2 ARG 6 2HB ARG 6 11.744 3.399 -3.643 56 HB3 ARG 6 3HB ARG 6 12.296 2.377 -4.964 57 HG2 ARG 6 2HG ARG 6 13.920 4.116 -4.377 58 HG3 ARG 6 3HG ARG 6 13.347 4.267 -6.039 59 HD2 ARG 6 2HD ARG 6 12.584 6.320 -5.654 60 HD3 ARG 6 3HD ARG 6 11.663 5.767 -4.256 61 HE ARG 6 HE ARG 6 14.422 6.027 -3.632 62 HH11 ARG 6 1HH1 ARG 6 11.510 7.866 -4.140 63 HH12 ARG 6 2HH1 ARG 6 12.010 9.182 -3.129 64 HH21 ARG 6 1HH2 ARG 6 15.091 7.753 -2.300 65 HH22 ARG 6 2HH2 ARG 6 14.047 9.117 -2.084 66 H LYS 7 H LYS 7 12.148 2.260 -6.968 67 HA LYS 7 HA LYS 7 11.291 3.387 -9.474 68 HB2 LYS 7 2HB LYS 7 13.328 4.735 -8.204 69 HB3 LYS 7 3HB LYS 7 14.202 3.637 -9.263 70 HG2 LYS 7 2HG LYS 7 13.064 4.507 -11.192 71 HG3 LYS 7 3HG LYS 7 12.029 5.511 -10.174 72 HD2 LYS 7 2HD LYS 7 13.804 6.852 -11.145 73 HD3 LYS 7 3HD LYS 7 14.016 6.737 -9.396 74 HE2 LYS 7 2HE LYS 7 15.651 4.909 -9.768 75 HE3 LYS 7 3HE LYS 7 15.494 5.167 -11.505 76 HZ1 LYS 7 3HZ LYS 7 17.075 6.584 -9.628 77 HZ2 LYS 7 1HZ LYS 7 16.019 7.645 -10.417 78 HZ3 LYS 7 2HZ LYS 7 17.079 6.683 -11.317 79 H ARG 8 H ARG 8 13.240 1.201 -7.610 80 HA ARG 8 HA ARG 8 14.606 -0.268 -9.452 81 HB2 ARG 8 2HB ARG 8 13.275 -0.917 -6.883 82 HB3 ARG 8 3HB ARG 8 13.723 -2.280 -7.899 83 HG2 ARG 8 2HG ARG 8 15.447 -1.723 -6.245 84 HG3 ARG 8 3HG ARG 8 16.029 -1.573 -7.905 85 HD2 ARG 8 2HD ARG 8 15.660 0.854 -7.797 86 HD3 ARG 8 3HD ARG 8 15.116 0.687 -6.128 87 HE ARG 8 HE ARG 8 17.832 0.632 -7.086 88 HH11 ARG 8 1HH1 ARG 8 15.665 -0.258 -4.512 89 HH12 ARG 8 2HH1 ARG 8 16.913 -0.338 -3.313 90 HH21 ARG 8 1HH2 ARG 8 19.485 0.530 -5.517 91 HH22 ARG 8 2HH2 ARG 8 19.085 0.111 -3.886 92 H TYR 9 H TYR 9 11.153 -0.191 -8.948 93 HA TYR 9 HA TYR 9 10.831 -2.110 -11.163 94 HB2 TYR 9 2HB TYR 9 9.196 -1.709 -8.670 95 HB3 TYR 9 3HB TYR 9 8.502 -2.463 -10.101 96 HD1 TYR 9 HD1 TYR 9 11.722 -2.756 -8.211 97 HD2 TYR 9 HD2 TYR 9 8.406 -4.756 -9.975 98 HE1 TYR 9 HE1 TYR 9 12.667 -4.919 -7.521 99 HE2 TYR 9 HE2 TYR 9 9.342 -6.924 -9.289 100 HH TYR 9 HH TYR 9 11.885 -7.210 -7.068 101 H ILE 10 H ILE 10 11.247 0.538 -11.740 102 HA ILE 10 HA ILE 10 9.318 2.386 -11.876 103 HB ILE 10 HB ILE 10 11.137 1.459 -14.083 104 HG12 ILE 10 2HG1 ILE 10 11.465 4.173 -13.170 105 HG13 ILE 10 3HG1 ILE 10 11.448 3.076 -11.793 106 HG21 ILE 10 1HG2 ILE 10 10.487 3.801 -15.056 107 HG22 ILE 10 2HG2 ILE 10 9.505 2.381 -15.412 108 HG23 ILE 10 3HG2 ILE 10 8.987 3.523 -14.172 109 HD11 ILE 10 3HD1 ILE 10 13.480 3.498 -13.826 110 HD12 ILE 10 1HD1 ILE 10 13.614 2.803 -12.211 111 HD13 ILE 10 2HD1 ILE 10 13.099 1.796 -13.565 112 H PHE 11 H PHE 11 9.511 -0.300 -14.218 113 HA PHE 11 HA PHE 11 7.265 0.174 -15.697 114 HB2 PHE 11 2HB PHE 11 7.106 -2.344 -15.942 115 HB3 PHE 11 3HB PHE 11 8.676 -1.641 -16.315 116 HD1 PHE 11 HD2 PHE 11 10.512 -1.795 -14.614 117 HD2 PHE 11 HD1 PHE 11 6.864 -3.959 -14.258 118 HE1 PHE 11 HE2 PHE 11 11.578 -3.321 -13.006 119 HE2 PHE 11 HE1 PHE 11 7.924 -5.488 -12.648 120 HZ PHE 11 HZ PHE 11 10.285 -5.171 -12.022 121 H ILE 12 H ILE 12 7.394 -1.716 -12.681 122 HA ILE 12 HA ILE 12 4.694 -0.868 -12.036 123 HB ILE 12 HB ILE 12 5.408 -3.747 -12.543 124 HG12 ILE 12 2HG1 ILE 12 2.917 -3.372 -13.519 125 HG13 ILE 12 3HG1 ILE 12 3.549 -1.736 -13.676 126 HG21 ILE 12 1HG2 ILE 12 4.436 -3.852 -10.402 127 HG22 ILE 12 2HG2 ILE 12 3.233 -2.626 -10.800 128 HG23 ILE 12 3HG2 ILE 12 3.131 -4.230 -11.526 129 HD11 ILE 12 3HD1 ILE 12 3.974 -2.782 -15.726 130 HD12 ILE 12 1HD1 ILE 12 5.521 -2.774 -14.879 131 HD13 ILE 12 2HD1 ILE 12 4.562 -4.253 -14.949 Start of MODEL 4 1 H1 TYR 1 H TYR 1 1.182 -0.716 0.621 2 HA TYR 1 HA TYR 1 0.981 -0.370 -2.247 3 HB2 TYR 1 2HB TYR 1 2.258 1.479 -2.507 4 HB3 TYR 1 3HB TYR 1 1.752 1.835 -0.859 5 HD1 TYR 1 HD1 TYR 1 4.511 0.652 -2.970 6 HD2 TYR 1 HD2 TYR 1 3.297 1.631 0.989 7 HE1 TYR 1 HE1 TYR 1 6.865 0.656 -2.256 8 HE2 TYR 1 HE2 TYR 1 5.648 1.639 1.713 9 HH TYR 1 HH TYR 1 8.190 1.841 -0.292 10 H VAL 2 H VAL 2 3.129 -0.926 -3.310 11 HA VAL 2 HA VAL 2 3.958 -3.468 -2.450 12 HB VAL 2 HB VAL 2 4.099 -2.429 -4.805 13 HG11 VAL 2 1HG1 VAL 2 5.961 -0.794 -3.497 14 HG12 VAL 2 2HG1 VAL 2 6.900 -1.846 -4.557 15 HG13 VAL 2 3HG1 VAL 2 5.605 -0.851 -5.223 16 HG21 VAL 2 3HG2 VAL 2 6.603 -3.770 -4.683 17 HG22 VAL 2 1HG2 VAL 2 5.510 -4.526 -3.523 18 HG23 VAL 2 2HG2 VAL 2 5.043 -4.396 -5.219 19 H LEU 3 H LEU 3 6.827 -3.127 -2.985 20 HA LEU 3 HA LEU 3 7.672 -1.812 -0.491 21 HB2 LEU 3 2HB LEU 3 9.141 -3.602 0.033 22 HB3 LEU 3 3HB LEU 3 7.549 -4.293 -0.274 23 HG LEU 3 HG LEU 3 9.183 -5.741 -1.233 24 HD11 LEU 3 1HD1 LEU 3 7.066 -5.042 -2.546 25 HD12 LEU 3 2HD1 LEU 3 8.323 -5.964 -3.368 26 HD13 LEU 3 3HD1 LEU 3 8.204 -4.222 -3.616 27 HD21 LEU 3 3HD2 LEU 3 10.239 -3.729 -3.128 28 HD22 LEU 3 1HD2 LEU 3 11.034 -5.114 -2.380 29 HD23 LEU 3 2HD2 LEU 3 10.800 -3.629 -1.458 30 H TRP 4 H TRP 4 8.240 -2.493 -3.817 31 HA TRP 4 HA TRP 4 10.726 -0.912 -3.711 32 HB2 TRP 4 2HB TRP 4 11.105 -2.126 -6.015 33 HB3 TRP 4 3HB TRP 4 11.499 -2.939 -4.503 34 HD1 TRP 4 HD1 TRP 4 10.826 -5.392 -4.685 35 HE1 TRP 4 HE1 TRP 4 8.825 -6.699 -5.641 36 HE3 TRP 4 HE3 TRP 4 8.168 -1.488 -6.641 37 HZ2 TRP 4 HZ2 TRP 4 6.436 -6.147 -7.040 38 HZ3 TRP 4 HZ3 TRP 4 6.035 -1.962 -7.772 39 HH2 TRP 4 HH2 TRP 4 5.189 -4.244 -7.967 40 H LYS 5 H LYS 5 7.970 0.046 -3.942 41 HA LYS 5 HA LYS 5 7.384 0.755 -6.617 42 HB2 LYS 5 2HB LYS 5 6.151 1.043 -4.120 43 HB3 LYS 5 3HB LYS 5 6.405 2.687 -4.692 44 HG2 LYS 5 2HG LYS 5 5.368 0.990 -6.788 45 HG3 LYS 5 3HG LYS 5 4.321 0.988 -5.366 46 HD2 LYS 5 2HD LYS 5 4.044 3.331 -5.445 47 HD3 LYS 5 3HD LYS 5 5.378 3.528 -6.584 48 HE2 LYS 5 2HE LYS 5 3.947 2.063 -8.156 49 HE3 LYS 5 3HE LYS 5 2.618 2.462 -7.070 50 HZ1 LYS 5 3HZ LYS 5 2.415 4.423 -8.045 51 HZ2 LYS 5 1HZ LYS 5 3.613 3.992 -9.158 52 HZ3 LYS 5 2HZ LYS 5 4.034 4.807 -7.737 53 H ARG 6 H ARG 6 9.795 1.815 -4.525 54 HA ARG 6 HA ARG 6 10.054 4.517 -4.939 55 HB2 ARG 6 2HB ARG 6 11.565 3.401 -3.462 56 HB3 ARG 6 3HB ARG 6 12.174 2.379 -4.757 57 HG2 ARG 6 2HG ARG 6 13.751 4.148 -4.129 58 HG3 ARG 6 3HG ARG 6 13.232 4.275 -5.811 59 HD2 ARG 6 2HD ARG 6 12.391 6.308 -5.475 60 HD3 ARG 6 3HD ARG 6 11.481 5.763 -4.067 61 HE ARG 6 HE ARG 6 13.999 5.992 -3.115 62 HH11 ARG 6 1HH1 ARG 6 11.918 8.142 -4.895 63 HH12 ARG 6 2HH1 ARG 6 12.595 9.579 -4.204 64 HH21 ARG 6 1HH2 ARG 6 14.898 7.877 -2.198 65 HH22 ARG 6 2HH2 ARG 6 14.290 9.428 -2.671 66 H LYS 7 H LYS 7 12.088 2.256 -6.778 67 HA LYS 7 HA LYS 7 11.301 3.393 -9.306 68 HB2 LYS 7 2HB LYS 7 13.281 4.750 -7.970 69 HB3 LYS 7 3HB LYS 7 14.206 3.649 -8.982 70 HG2 LYS 7 2HG LYS 7 13.156 4.502 -10.966 71 HG3 LYS 7 3HG LYS 7 12.065 5.502 -10.004 72 HD2 LYS 7 2HD LYS 7 13.872 6.854 -10.897 73 HD3 LYS 7 3HD LYS 7 14.003 6.750 -9.140 74 HE2 LYS 7 2HE LYS 7 15.668 4.929 -9.431 75 HE3 LYS 7 3HE LYS 7 15.593 5.189 -11.173 76 HZ1 LYS 7 3HZ LYS 7 17.045 6.829 -10.977 77 HZ2 LYS 7 1HZ LYS 7 17.178 6.522 -9.318 78 HZ3 LYS 7 2HZ LYS 7 16.048 7.648 -9.882 79 H ARG 8 H ARG 8 13.184 1.195 -7.393 80 HA ARG 8 HA ARG 8 14.618 -0.258 -9.198 81 HB2 ARG 8 2HB ARG 8 13.194 -0.931 -6.684 82 HB3 ARG 8 3HB ARG 8 13.687 -2.284 -7.694 83 HG2 ARG 8 2HG ARG 8 15.344 -1.732 -5.970 84 HG3 ARG 8 3HG ARG 8 15.988 -1.568 -7.605 85 HD2 ARG 8 2HD ARG 8 15.618 0.853 -7.498 86 HD3 ARG 8 3HD ARG 8 14.990 0.681 -5.860 87 HE ARG 8 HE ARG 8 17.140 0.623 -5.110 88 HH11 ARG 8 1HH1 ARG 8 17.121 -0.241 -8.483 89 HH12 ARG 8 2HH1 ARG 8 18.848 -0.316 -8.607 90 HH21 ARG 8 1HH2 ARG 8 19.414 0.528 -5.262 91 HH22 ARG 8 2HH2 ARG 8 20.151 0.121 -6.774 92 H TYR 9 H TYR 9 11.150 -0.181 -8.822 93 HA TYR 9 HA TYR 9 10.908 -2.088 -11.056 94 HB2 TYR 9 2HB TYR 9 9.178 -1.693 -8.627 95 HB3 TYR 9 3HB TYR 9 8.541 -2.443 -10.086 96 HD1 TYR 9 HD1 TYR 9 11.684 -2.743 -8.072 97 HD2 TYR 9 HD2 TYR 9 8.439 -4.736 -9.969 98 HE1 TYR 9 HE1 TYR 9 12.600 -4.908 -7.350 99 HE2 TYR 9 HE2 TYR 9 9.346 -6.907 -9.252 100 HH TYR 9 HH TYR 9 10.816 -7.858 -7.673 101 H ILE 10 H ILE 10 11.351 0.560 -11.606 102 HA ILE 10 HA ILE 10 9.434 2.414 -11.807 103 HB ILE 10 HB ILE 10 11.328 1.490 -13.951 104 HG12 ILE 10 2HG1 ILE 10 11.641 4.196 -13.018 105 HG13 ILE 10 3HG1 ILE 10 11.562 3.099 -11.643 106 HG21 ILE 10 1HG2 ILE 10 9.713 2.421 -15.312 107 HG22 ILE 10 2HG2 ILE 10 9.215 3.595 -14.096 108 HG23 ILE 10 3HG2 ILE 10 10.736 3.813 -14.961 109 HD11 ILE 10 3HD1 ILE 10 13.269 1.809 -13.359 110 HD12 ILE 10 1HD1 ILE 10 13.678 3.509 -13.587 111 HD13 ILE 10 2HD1 ILE 10 13.737 2.796 -11.975 112 H PHE 11 H PHE 11 9.705 -0.263 -14.150 113 HA PHE 11 HA PHE 11 7.516 0.223 -15.708 114 HB2 PHE 11 2HB PHE 11 7.358 -2.293 -15.968 115 HB3 PHE 11 3HB PHE 11 8.943 -1.593 -16.282 116 HD1 PHE 11 HD2 PHE 11 10.716 -1.760 -14.518 117 HD2 PHE 11 HD1 PHE 11 7.050 -3.912 -14.299 118 HE1 PHE 11 HE2 PHE 11 11.719 -3.295 -12.878 119 HE2 PHE 11 HE1 PHE 11 8.047 -5.450 -12.657 120 HZ PHE 11 HZ PHE 11 10.385 -5.144 -11.946 121 H ILE 12 H ILE 12 7.528 -1.677 -12.697 122 HA ILE 12 HA ILE 12 4.809 -0.823 -12.148 123 HB ILE 12 HB ILE 12 5.532 -3.702 -12.639 124 HG12 ILE 12 2HG1 ILE 12 3.080 -3.316 -13.705 125 HG13 ILE 12 3HG1 ILE 12 3.722 -1.682 -13.832 126 HG21 ILE 12 1HG2 ILE 12 3.028 -3.930 -11.756 127 HG22 ILE 12 2HG2 ILE 12 4.427 -4.085 -10.695 128 HG23 ILE 12 3HG2 ILE 12 3.541 -2.562 -10.769 129 HD11 ILE 12 3HD1 ILE 12 4.220 -2.722 -15.869 130 HD12 ILE 12 1HD1 ILE 12 5.734 -2.722 -14.965 131 HD13 ILE 12 2HD1 ILE 12 4.773 -4.197 -15.076 Start of MODEL 5 1 H1 TYR 1 H TYR 1 1.184 0.092 0.738 2 HA TYR 1 HA TYR 1 0.980 -0.315 -2.157 3 HB2 TYR 1 2HB TYR 1 2.262 1.530 -2.427 4 HB3 TYR 1 3HB TYR 1 1.778 1.881 -0.772 5 HD1 TYR 1 HD2 TYR 1 4.505 0.695 -2.921 6 HD2 TYR 1 HD1 TYR 1 3.346 1.668 1.055 7 HE1 TYR 1 HE2 TYR 1 6.867 0.686 -2.236 8 HE2 TYR 1 HE1 TYR 1 5.705 1.663 1.751 9 HH TYR 1 HH TYR 1 7.815 1.436 1.105 10 H VAL 2 H VAL 2 3.111 -0.876 -3.249 11 HA VAL 2 HA VAL 2 3.941 -3.425 -2.410 12 HB VAL 2 HB VAL 2 4.056 -2.377 -4.763 13 HG11 VAL 2 1HG1 VAL 2 5.941 -0.755 -3.471 14 HG12 VAL 2 2HG1 VAL 2 6.863 -1.806 -4.548 15 HG13 VAL 2 3HG1 VAL 2 5.563 -0.803 -5.193 16 HG21 VAL 2 3HG2 VAL 2 6.557 -3.728 -4.676 17 HG22 VAL 2 1HG2 VAL 2 5.475 -4.485 -3.506 18 HG23 VAL 2 2HG2 VAL 2 4.989 -4.346 -5.196 19 H LEU 3 H LEU 3 6.804 -3.095 -2.979 20 HA LEU 3 HA LEU 3 7.686 -1.794 -0.491 21 HB2 LEU 3 2HB LEU 3 9.152 -3.592 0.009 22 HB3 LEU 3 3HB LEU 3 7.554 -4.275 -0.283 23 HG LEU 3 HG LEU 3 9.170 -5.726 -1.266 24 HD11 LEU 3 1HD1 LEU 3 8.170 -4.193 -3.630 25 HD12 LEU 3 2HD1 LEU 3 7.041 -5.012 -2.552 26 HD13 LEU 3 3HD1 LEU 3 8.285 -5.937 -3.393 27 HD21 LEU 3 3HD2 LEU 3 11.011 -5.102 -2.430 28 HD22 LEU 3 1HD2 LEU 3 10.792 -3.617 -1.503 29 HD23 LEU 3 2HD2 LEU 3 10.213 -3.711 -3.166 30 H TRP 4 H TRP 4 8.209 -2.463 -3.826 31 HA TRP 4 HA TRP 4 10.703 -0.893 -3.745 32 HB2 TRP 4 2HB TRP 4 11.050 -2.101 -6.056 33 HB3 TRP 4 3HB TRP 4 11.458 -2.921 -4.552 34 HD1 TRP 4 HD1 TRP 4 10.773 -5.372 -4.738 35 HE1 TRP 4 HE1 TRP 4 8.756 -6.665 -5.675 36 HE3 TRP 4 HE3 TRP 4 8.108 -1.448 -6.643 37 HZ2 TRP 4 HZ2 TRP 4 6.352 -6.098 -7.042 38 HZ3 TRP 4 HZ3 TRP 4 5.959 -1.909 -7.751 39 HH2 TRP 4 HH2 TRP 4 5.102 -4.186 -7.946 40 H LYS 5 H LYS 5 7.948 0.077 -3.940 41 HA LYS 5 HA LYS 5 7.329 0.795 -6.604 42 HB2 LYS 5 2HB LYS 5 6.133 1.086 -4.090 43 HB3 LYS 5 3HB LYS 5 6.392 2.729 -4.661 44 HG2 LYS 5 2HG LYS 5 5.205 0.791 -6.563 45 HG3 LYS 5 3HG LYS 5 4.199 1.358 -5.227 46 HD2 LYS 5 2HD LYS 5 3.742 3.135 -6.500 47 HD3 LYS 5 3HD LYS 5 5.394 3.666 -6.173 48 HE2 LYS 5 2HE LYS 5 6.168 2.505 -8.176 49 HE3 LYS 5 3HE LYS 5 4.528 1.943 -8.495 50 HZ1 LYS 5 3HZ LYS 5 3.826 4.052 -9.065 51 HZ2 LYS 5 1HZ LYS 5 5.391 4.022 -9.707 52 HZ3 LYS 5 2HZ LYS 5 5.090 4.826 -8.249 53 H ARG 6 H ARG 6 9.775 1.839 -4.543 54 HA ARG 6 HA ARG 6 10.044 4.540 -4.963 55 HB2 ARG 6 2HB ARG 6 11.563 3.410 -3.502 56 HB3 ARG 6 3HB ARG 6 12.158 2.394 -4.808 57 HG2 ARG 6 2HG ARG 6 13.746 4.155 -4.190 58 HG3 ARG 6 3HG ARG 6 13.205 4.298 -5.864 59 HD2 ARG 6 2HD ARG 6 12.374 6.330 -5.498 60 HD3 ARG 6 3HD ARG 6 11.480 5.775 -4.084 61 HE ARG 6 HE ARG 6 14.248 6.104 -3.512 62 HH11 ARG 6 1HH1 ARG 6 11.263 7.843 -3.939 63 HH12 ARG 6 2HH1 ARG 6 11.740 9.170 -2.932 64 HH21 ARG 6 1HH2 ARG 6 14.888 7.845 -2.184 65 HH22 ARG 6 2HH2 ARG 6 13.803 9.170 -1.935 66 H LYS 7 H LYS 7 12.054 2.274 -6.818 67 HA LYS 7 HA LYS 7 11.238 3.398 -9.341 68 HB2 LYS 7 2HB LYS 7 13.217 4.777 -8.035 69 HB3 LYS 7 3HB LYS 7 14.147 3.671 -9.038 70 HG2 LYS 7 2HG LYS 7 13.081 4.494 -11.028 71 HG3 LYS 7 3HG LYS 7 11.992 5.503 -10.071 72 HD2 LYS 7 2HD LYS 7 13.776 6.862 -10.977 73 HD3 LYS 7 3HD LYS 7 13.948 6.751 -9.223 74 HE2 LYS 7 2HE LYS 7 15.601 4.919 -9.575 75 HE3 LYS 7 3HE LYS 7 15.501 5.224 -11.308 76 HZ1 LYS 7 3HZ LYS 7 16.666 6.903 -9.195 77 HZ2 LYS 7 1HZ LYS 7 16.073 7.634 -10.601 78 HZ3 LYS 7 2HZ LYS 7 17.306 6.481 -10.702 79 H ARG 8 H ARG 8 13.160 1.221 -7.440 80 HA ARG 8 HA ARG 8 14.580 -0.232 -9.254 81 HB2 ARG 8 2HB ARG 8 13.194 -0.899 -6.719 82 HB3 ARG 8 3HB ARG 8 13.676 -2.256 -7.728 83 HG2 ARG 8 2HG ARG 8 15.357 -1.692 -6.034 84 HG3 ARG 8 3HG ARG 8 15.976 -1.529 -7.678 85 HD2 ARG 8 2HD ARG 8 15.680 0.872 -7.586 86 HD3 ARG 8 3HD ARG 8 14.946 0.745 -5.988 87 HE ARG 8 HE ARG 8 17.041 0.669 -5.097 88 HH11 ARG 8 1HH1 ARG 8 17.231 -0.231 -8.455 89 HH12 ARG 8 2HH1 ARG 8 18.961 -0.318 -8.469 90 HH21 ARG 8 1HH2 ARG 8 19.320 0.558 -5.103 91 HH22 ARG 8 2HH2 ARG 8 20.148 0.131 -6.561 92 H TYR 9 H TYR 9 11.116 -0.177 -8.834 93 HA TYR 9 HA TYR 9 10.859 -2.096 -11.057 94 HB2 TYR 9 2HB TYR 9 9.161 -1.704 -8.606 95 HB3 TYR 9 3HB TYR 9 8.504 -2.459 -10.054 96 HD1 TYR 9 HD1 TYR 9 11.681 -2.742 -8.091 97 HD2 TYR 9 HD2 TYR 9 8.412 -4.752 -9.929 98 HE1 TYR 9 HE1 TYR 9 12.617 -4.903 -7.380 99 HE2 TYR 9 HE2 TYR 9 9.339 -6.918 -9.223 100 HH TYR 9 HH TYR 9 11.596 -7.844 -8.618 101 H ILE 10 H ILE 10 11.277 0.552 -11.627 102 HA ILE 10 HA ILE 10 9.346 2.393 -11.811 103 HB ILE 10 HB ILE 10 11.214 1.468 -13.978 104 HG12 ILE 10 2HG1 ILE 10 11.530 4.179 -13.062 105 HG13 ILE 10 3HG1 ILE 10 11.473 3.089 -11.681 106 HG21 ILE 10 1HG2 ILE 10 9.030 3.475 -14.125 107 HG22 ILE 10 2HG2 ILE 10 10.562 3.855 -14.910 108 HG23 ILE 10 3HG2 ILE 10 9.671 2.405 -15.372 109 HD11 ILE 10 3HD1 ILE 10 13.646 2.803 -12.039 110 HD12 ILE 10 1HD1 ILE 10 13.163 1.792 -13.400 111 HD13 ILE 10 2HD1 ILE 10 13.559 3.491 -13.660 112 H PHE 11 H PHE 11 9.600 -0.296 -14.143 113 HA PHE 11 HA PHE 11 7.387 0.169 -15.673 114 HB2 PHE 11 2HB PHE 11 7.241 -2.350 -15.917 115 HB3 PHE 11 3HB PHE 11 8.816 -1.642 -16.258 116 HD1 PHE 11 HD2 PHE 11 10.615 -1.788 -14.517 117 HD2 PHE 11 HD1 PHE 11 6.966 -3.962 -14.236 118 HE1 PHE 11 HE2 PHE 11 11.651 -3.308 -12.884 119 HE2 PHE 11 HE1 PHE 11 7.996 -5.485 -12.601 120 HZ PHE 11 HZ PHE 11 10.342 -5.160 -11.924 121 H ILE 12 H ILE 12 7.453 -1.716 -12.652 122 HA ILE 12 HA ILE 12 4.737 -0.875 -12.070 123 HB ILE 12 HB ILE 12 5.471 -3.753 -12.556 124 HG12 ILE 12 2HG1 ILE 12 3.002 -3.387 -13.589 125 HG13 ILE 12 3HG1 ILE 12 3.632 -1.750 -13.735 126 HG21 ILE 12 1HG2 ILE 12 4.384 -4.159 -10.614 127 HG22 ILE 12 2HG2 ILE 12 3.530 -2.617 -10.642 128 HG23 ILE 12 3HG2 ILE 12 2.962 -3.958 -11.637 129 HD11 ILE 12 3HD1 ILE 12 4.107 -2.799 -15.772 130 HD12 ILE 12 1HD1 ILE 12 5.634 -2.783 -14.891 131 HD13 ILE 12 2HD1 ILE 12 4.681 -4.265 -14.979 Start of MODEL 6 1 H1 TYR 1 H TYR 1 1.353 -0.335 0.554 2 HA TYR 1 HA TYR 1 1.083 -0.287 -2.364 3 HB2 TYR 1 2HB TYR 1 2.352 1.559 -2.685 4 HB3 TYR 1 3HB TYR 1 1.854 1.960 -1.045 5 HD1 TYR 1 HD1 TYR 1 4.605 0.727 -3.138 6 HD2 TYR 1 HD2 TYR 1 3.411 1.816 0.798 7 HE1 TYR 1 HE1 TYR 1 6.963 0.761 -2.439 8 HE2 TYR 1 HE2 TYR 1 5.766 1.854 1.508 9 HH TYR 1 HH TYR 1 7.929 0.799 0.765 10 H VAL 2 H VAL 2 3.227 -0.865 -3.423 11 HA VAL 2 HA VAL 2 4.072 -3.378 -2.495 12 HB VAL 2 HB VAL 2 4.194 -2.406 -4.881 13 HG11 VAL 2 1HG1 VAL 2 5.693 -0.837 -5.355 14 HG12 VAL 2 2HG1 VAL 2 6.058 -0.728 -3.632 15 HG13 VAL 2 3HG1 VAL 2 6.995 -1.808 -4.666 16 HG21 VAL 2 3HG2 VAL 2 6.703 -3.735 -4.735 17 HG22 VAL 2 1HG2 VAL 2 5.620 -4.461 -3.548 18 HG23 VAL 2 2HG2 VAL 2 5.143 -4.381 -5.244 19 H LEU 3 H LEU 3 6.936 -3.041 -3.059 20 HA LEU 3 HA LEU 3 7.791 -1.652 -0.609 21 HB2 LEU 3 2HB LEU 3 9.270 -3.420 -0.043 22 HB3 LEU 3 3HB LEU 3 7.679 -4.125 -0.319 23 HG LEU 3 HG LEU 3 9.312 -5.595 -1.246 24 HD11 LEU 3 1HD1 LEU 3 7.184 -4.941 -2.566 25 HD12 LEU 3 2HD1 LEU 3 8.439 -5.883 -3.369 26 HD13 LEU 3 3HD1 LEU 3 8.312 -4.149 -3.666 27 HD21 LEU 3 3HD2 LEU 3 11.153 -4.994 -2.424 28 HD22 LEU 3 1HD2 LEU 3 10.920 -3.484 -1.543 29 HD23 LEU 3 2HD2 LEU 3 10.348 -3.633 -3.205 30 H TRP 4 H TRP 4 8.341 -2.426 -3.917 31 HA TRP 4 HA TRP 4 10.822 -0.835 -3.872 32 HB2 TRP 4 2HB TRP 4 11.189 -2.111 -6.144 33 HB3 TRP 4 3HB TRP 4 11.597 -2.880 -4.612 34 HD1 TRP 4 HD1 TRP 4 10.931 -5.339 -4.716 35 HE1 TRP 4 HE1 TRP 4 8.929 -6.680 -5.621 36 HE3 TRP 4 HE3 TRP 4 8.248 -1.503 -6.770 37 HZ2 TRP 4 HZ2 TRP 4 6.530 -6.177 -7.021 38 HZ3 TRP 4 HZ3 TRP 4 6.110 -2.018 -7.874 39 HH2 TRP 4 HH2 TRP 4 5.271 -4.307 -7.996 40 H LYS 5 H LYS 5 8.060 0.108 -4.112 41 HA LYS 5 HA LYS 5 7.458 0.740 -6.803 42 HB2 LYS 5 2HB LYS 5 6.235 1.090 -4.308 43 HB3 LYS 5 3HB LYS 5 6.477 2.718 -4.929 44 HG2 LYS 5 2HG LYS 5 5.414 0.875 -6.920 45 HG3 LYS 5 3HG LYS 5 4.367 1.075 -5.513 46 HD2 LYS 5 2HD LYS 5 5.470 3.594 -6.476 47 HD3 LYS 5 3HD LYS 5 4.498 2.760 -7.690 48 HE2 LYS 5 2HE LYS 5 2.606 3.273 -6.634 49 HE3 LYS 5 3HE LYS 5 3.230 2.676 -5.097 50 HZ1 LYS 5 3HZ LYS 5 4.474 5.121 -5.710 51 HZ2 LYS 5 1HZ LYS 5 3.463 4.750 -4.406 52 HZ3 LYS 5 2HZ LYS 5 2.800 5.319 -5.854 53 H ARG 6 H ARG 6 9.874 1.866 -4.753 54 HA ARG 6 HA ARG 6 10.118 4.557 -5.237 55 HB2 ARG 6 2HB ARG 6 11.644 3.482 -3.744 56 HB3 ARG 6 3HB ARG 6 12.251 2.435 -5.019 57 HG2 ARG 6 2HG ARG 6 13.822 4.227 -4.442 58 HG3 ARG 6 3HG ARG 6 13.290 4.315 -6.123 59 HD2 ARG 6 2HD ARG 6 12.364 6.326 -5.828 60 HD3 ARG 6 3HD ARG 6 11.579 5.831 -4.328 61 HE ARG 6 HE ARG 6 14.391 6.276 -4.021 62 HH11 ARG 6 1HH1 ARG 6 11.271 7.816 -4.125 63 HH12 ARG 6 2HH1 ARG 6 11.766 9.178 -3.176 64 HH21 ARG 6 1HH2 ARG 6 15.056 8.064 -2.770 65 HH22 ARG 6 2HH2 ARG 6 13.919 9.318 -2.406 66 H LYS 7 H LYS 7 12.140 2.254 -7.037 67 HA LYS 7 HA LYS 7 11.335 3.337 -9.583 68 HB2 LYS 7 2HB LYS 7 13.322 4.723 -8.301 69 HB3 LYS 7 3HB LYS 7 14.246 3.587 -9.275 70 HG2 LYS 7 2HG LYS 7 13.204 4.378 -11.287 71 HG3 LYS 7 3HG LYS 7 12.112 5.411 -10.362 72 HD2 LYS 7 2HD LYS 7 13.915 6.738 -11.284 73 HD3 LYS 7 3HD LYS 7 14.059 6.674 -9.526 74 HE2 LYS 7 2HE LYS 7 15.712 4.830 -9.799 75 HE3 LYS 7 3HE LYS 7 15.637 5.080 -11.542 76 HZ1 LYS 7 3HZ LYS 7 16.586 7.197 -11.341 77 HZ2 LYS 7 1HZ LYS 7 17.504 6.220 -10.308 78 HZ3 LYS 7 2HZ LYS 7 16.335 7.262 -9.669 79 H ARG 8 H ARG 8 13.218 1.170 -7.637 80 HA ARG 8 HA ARG 8 14.633 -0.328 -9.420 81 HB2 ARG 8 2HB ARG 8 13.222 -0.941 -6.883 82 HB3 ARG 8 3HB ARG 8 13.705 -2.317 -7.867 83 HG2 ARG 8 2HG ARG 8 15.374 -1.734 -6.165 84 HG3 ARG 8 3HG ARG 8 16.009 -1.606 -7.806 85 HD2 ARG 8 2HD ARG 8 15.697 0.806 -7.756 86 HD3 ARG 8 3HD ARG 8 14.997 0.697 -6.142 87 HE ARG 8 HE ARG 8 17.790 0.590 -6.837 88 HH11 ARG 8 1HH1 ARG 8 15.381 -0.208 -4.454 89 HH12 ARG 8 2HH1 ARG 8 16.510 -0.264 -3.141 90 HH21 ARG 8 1HH2 ARG 8 19.286 0.520 -5.117 91 HH22 ARG 8 2HH2 ARG 8 18.731 0.151 -3.519 92 H TYR 9 H TYR 9 11.169 -0.218 -9.027 93 HA TYR 9 HA TYR 9 10.900 -2.178 -11.213 94 HB2 TYR 9 2HB TYR 9 9.186 -1.709 -8.786 95 HB3 TYR 9 3HB TYR 9 8.535 -2.490 -10.223 96 HD1 TYR 9 HD1 TYR 9 11.686 -2.765 -8.217 97 HD2 TYR 9 HD2 TYR 9 8.416 -4.779 -10.048 98 HE1 TYR 9 HE1 TYR 9 12.590 -4.919 -7.447 99 HE2 TYR 9 HE2 TYR 9 9.310 -6.938 -9.282 100 HH TYR 9 HH TYR 9 11.788 -7.783 -8.647 101 H ILE 10 H ILE 10 11.361 0.453 -11.830 102 HA ILE 10 HA ILE 10 9.459 2.317 -12.066 103 HB ILE 10 HB ILE 10 11.332 1.324 -14.198 104 HG12 ILE 10 2HG1 ILE 10 11.677 4.048 -13.334 105 HG13 ILE 10 3HG1 ILE 10 11.593 2.987 -11.931 106 HG21 ILE 10 1HG2 ILE 10 9.354 3.583 -14.359 107 HG22 ILE 10 2HG2 ILE 10 10.791 3.497 -15.377 108 HG23 ILE 10 3HG2 ILE 10 9.565 2.233 -15.474 109 HD11 ILE 10 3HD1 ILE 10 13.281 1.618 -13.575 110 HD12 ILE 10 1HD1 ILE 10 13.690 3.296 -13.932 111 HD13 ILE 10 2HD1 ILE 10 13.774 2.701 -12.273 112 H PHE 11 H PHE 11 9.694 -0.419 -14.344 113 HA PHE 11 HA PHE 11 7.500 0.047 -15.901 114 HB2 PHE 11 2HB PHE 11 7.320 -2.474 -16.099 115 HB3 PHE 11 3HB PHE 11 8.909 -1.795 -16.439 116 HD1 PHE 11 HD2 PHE 11 10.690 -1.933 -14.680 117 HD2 PHE 11 HD1 PHE 11 7.009 -4.050 -14.390 118 HE1 PHE 11 HE2 PHE 11 11.690 -3.436 -13.009 119 HE2 PHE 11 HE1 PHE 11 8.003 -5.556 -12.717 120 HZ PHE 11 HZ PHE 11 10.347 -5.251 -12.026 121 H ILE 12 H ILE 12 7.515 -1.781 -12.845 122 HA ILE 12 HA ILE 12 4.806 -0.891 -12.302 123 HB ILE 12 HB ILE 12 5.503 -3.788 -12.726 124 HG12 ILE 12 2HG1 ILE 12 3.048 -3.407 -13.788 125 HG13 ILE 12 3HG1 ILE 12 3.702 -1.781 -13.958 126 HG21 ILE 12 1HG2 ILE 12 4.433 -4.032 -10.714 127 HG22 ILE 12 2HG2 ILE 12 3.455 -2.582 -10.934 128 HG23 ILE 12 3HG2 ILE 12 3.055 -4.057 -11.814 129 HD11 ILE 12 3HD1 ILE 12 4.179 -2.875 -15.972 130 HD12 ILE 12 1HD1 ILE 12 5.699 -2.865 -15.078 131 HD13 ILE 12 2HD1 ILE 12 4.726 -4.334 -15.147 Start of MODEL 7 1 H1 TYR 1 H TYR 1 1.249 0.194 0.642 2 HA TYR 1 HA TYR 1 1.043 -0.182 -2.263 3 HB2 TYR 1 2HB TYR 1 2.368 1.632 -2.531 4 HB3 TYR 1 3HB TYR 1 1.879 2.004 -0.882 5 HD1 TYR 1 HD1 TYR 1 4.595 0.744 -3.003 6 HD2 TYR 1 HD2 TYR 1 3.427 1.762 0.959 7 HE1 TYR 1 HE1 TYR 1 6.951 0.686 -2.300 8 HE2 TYR 1 HE2 TYR 1 5.780 1.709 1.673 9 HH TYR 1 HH TYR 1 8.390 1.082 -0.647 10 H VAL 2 H VAL 2 3.170 -0.798 -3.333 11 HA VAL 2 HA VAL 2 3.935 -3.359 -2.471 12 HB VAL 2 HB VAL 2 4.093 -2.328 -4.830 13 HG11 VAL 2 1HG1 VAL 2 6.004 -0.742 -3.534 14 HG12 VAL 2 2HG1 VAL 2 6.910 -1.822 -4.595 15 HG13 VAL 2 3HG1 VAL 2 5.640 -0.793 -5.258 16 HG21 VAL 2 3HG2 VAL 2 4.982 -4.321 -5.243 17 HG22 VAL 2 1HG2 VAL 2 6.560 -3.736 -4.715 18 HG23 VAL 2 2HG2 VAL 2 5.453 -4.462 -3.549 19 H LEU 3 H LEU 3 6.810 -3.095 -3.021 20 HA LEU 3 HA LEU 3 7.701 -1.799 -0.534 21 HB2 LEU 3 2HB LEU 3 9.124 -3.626 -0.012 22 HB3 LEU 3 3HB LEU 3 7.513 -4.275 -0.311 23 HG LEU 3 HG LEU 3 9.102 -5.768 -1.273 24 HD11 LEU 3 1HD1 LEU 3 8.153 -4.229 -3.654 25 HD12 LEU 3 2HD1 LEU 3 6.999 -5.015 -2.578 26 HD13 LEU 3 3HD1 LEU 3 8.227 -5.974 -3.404 27 HD21 LEU 3 3HD2 LEU 3 10.965 -5.193 -2.430 28 HD22 LEU 3 1HD2 LEU 3 10.774 -3.699 -1.512 29 HD23 LEU 3 2HD2 LEU 3 10.203 -3.788 -3.178 30 H TRP 4 H TRP 4 8.235 -2.502 -3.861 31 HA TRP 4 HA TRP 4 10.763 -0.988 -3.770 32 HB2 TRP 4 2HB TRP 4 11.097 -2.216 -6.073 33 HB3 TRP 4 3HB TRP 4 11.477 -3.036 -4.562 34 HD1 TRP 4 HD1 TRP 4 10.737 -5.471 -4.733 35 HE1 TRP 4 HE1 TRP 4 8.697 -6.725 -5.677 36 HE3 TRP 4 HE3 TRP 4 8.177 -1.501 -6.687 37 HZ2 TRP 4 HZ2 TRP 4 6.317 -6.112 -7.066 38 HZ3 TRP 4 HZ3 TRP 4 6.026 -1.920 -7.807 39 HH2 TRP 4 HH2 TRP 4 5.118 -4.179 -7.993 40 H LYS 5 H LYS 5 8.033 0.044 -3.989 41 HA LYS 5 HA LYS 5 7.455 0.765 -6.663 42 HB2 LYS 5 2HB LYS 5 6.239 1.087 -4.162 43 HB3 LYS 5 3HB LYS 5 6.533 2.723 -4.738 44 HG2 LYS 5 2HG LYS 5 5.289 0.740 -6.580 45 HG3 LYS 5 3HG LYS 5 4.309 1.482 -5.313 46 HD2 LYS 5 2HD LYS 5 5.626 3.637 -6.373 47 HD3 LYS 5 3HD LYS 5 5.359 2.624 -7.793 48 HE2 LYS 5 2HE LYS 5 3.293 3.668 -5.865 49 HE3 LYS 5 3HE LYS 5 3.487 4.095 -7.564 50 HZ1 LYS 5 3HZ LYS 5 3.110 1.581 -7.933 51 HZ2 LYS 5 1HZ LYS 5 1.778 2.578 -7.623 52 HZ3 LYS 5 2HZ LYS 5 2.421 1.618 -6.388 53 H ARG 6 H ARG 6 9.902 1.761 -4.582 54 HA ARG 6 HA ARG 6 10.230 4.455 -4.997 55 HB2 ARG 6 2HB ARG 6 11.719 3.300 -3.529 56 HB3 ARG 6 3HB ARG 6 12.294 2.262 -4.827 57 HG2 ARG 6 2HG ARG 6 13.920 3.990 -4.207 58 HG3 ARG 6 3HG ARG 6 13.397 4.129 -5.886 59 HD2 ARG 6 2HD ARG 6 12.402 6.122 -5.545 60 HD3 ARG 6 3HD ARG 6 11.807 5.665 -3.949 61 HE ARG 6 HE ARG 6 14.576 5.992 -3.783 62 HH11 ARG 6 1HH1 ARG 6 11.721 7.900 -4.355 63 HH12 ARG 6 2HH1 ARG 6 12.401 9.352 -3.699 64 HH21 ARG 6 1HH2 ARG 6 15.483 7.897 -2.917 65 HH22 ARG 6 2HH2 ARG 6 14.542 9.350 -2.882 66 H LYS 7 H LYS 7 12.189 2.141 -6.850 67 HA LYS 7 HA LYS 7 11.421 3.305 -9.371 68 HB2 LYS 7 2HB LYS 7 13.496 4.551 -8.018 69 HB3 LYS 7 3HB LYS 7 14.324 3.474 -9.135 70 HG2 LYS 7 2HG LYS 7 13.160 4.463 -11.008 71 HG3 LYS 7 3HG LYS 7 12.225 5.487 -9.916 72 HD2 LYS 7 2HD LYS 7 14.066 6.734 -10.919 73 HD3 LYS 7 3HD LYS 7 14.289 6.577 -9.175 74 HE2 LYS 7 2HE LYS 7 15.832 4.704 -9.557 75 HE3 LYS 7 3HE LYS 7 15.623 4.896 -11.297 76 HZ1 LYS 7 3HZ LYS 7 17.494 6.120 -10.992 77 HZ2 LYS 7 1HZ LYS 7 17.102 6.565 -9.407 78 HZ3 LYS 7 2HZ LYS 7 16.356 7.339 -10.712 79 H ARG 8 H ARG 8 13.250 1.047 -7.473 80 HA ARG 8 HA ARG 8 14.628 -0.444 -9.290 81 HB2 ARG 8 2HB ARG 8 13.195 -1.085 -6.771 82 HB3 ARG 8 3HB ARG 8 13.656 -2.445 -7.785 83 HG2 ARG 8 2HG ARG 8 15.327 -1.933 -6.061 84 HG3 ARG 8 3HG ARG 8 15.973 -1.782 -7.697 85 HD2 ARG 8 2HD ARG 8 15.641 0.651 -7.583 86 HD3 ARG 8 3HD ARG 8 15.039 0.481 -5.935 87 HE ARG 8 HE ARG 8 17.552 -0.699 -6.017 88 HH11 ARG 8 1HH1 ARG 8 16.148 2.458 -6.440 89 HH12 ARG 8 2HH1 ARG 8 17.559 3.302 -5.894 90 HH21 ARG 8 1HH2 ARG 8 19.416 0.400 -5.296 91 HH22 ARG 8 2HH2 ARG 8 19.417 2.131 -5.244 92 H TYR 9 H TYR 9 11.166 -0.261 -8.892 93 HA TYR 9 HA TYR 9 10.851 -2.159 -11.125 94 HB2 TYR 9 2HB TYR 9 9.148 -1.711 -8.686 95 HB3 TYR 9 3HB TYR 9 8.481 -2.443 -10.141 96 HD1 TYR 9 HD1 TYR 9 11.624 -2.836 -8.143 97 HD2 TYR 9 HD2 TYR 9 8.311 -4.732 -10.022 98 HE1 TYR 9 HE1 TYR 9 12.479 -5.027 -7.424 99 HE2 TYR 9 HE2 TYR 9 9.156 -6.929 -9.308 100 HH TYR 9 HH TYR 9 11.269 -7.962 -8.649 101 H ILE 10 H ILE 10 11.373 0.476 -11.674 102 HA ILE 10 HA ILE 10 9.511 2.387 -11.863 103 HB ILE 10 HB ILE 10 11.369 1.411 -14.015 104 HG12 ILE 10 2HG1 ILE 10 11.758 4.107 -13.079 105 HG13 ILE 10 3HG1 ILE 10 11.657 3.009 -11.708 106 HG21 ILE 10 1HG2 ILE 10 9.244 3.474 -14.183 107 HG22 ILE 10 2HG2 ILE 10 10.799 3.832 -14.932 108 HG23 ILE 10 3HG2 ILE 10 9.889 2.406 -15.430 109 HD11 ILE 10 3HD1 ILE 10 13.525 2.725 -14.050 110 HD12 ILE 10 1HD1 ILE 10 13.954 3.328 -12.449 111 HD13 ILE 10 2HD1 ILE 10 13.439 1.653 -12.652 112 H PHE 11 H PHE 11 9.693 -0.293 -14.213 113 HA PHE 11 HA PHE 11 7.513 0.260 -15.761 114 HB2 PHE 11 2HB PHE 11 7.279 -2.250 -16.023 115 HB3 PHE 11 3HB PHE 11 8.883 -1.597 -16.342 116 HD1 PHE 11 HD2 PHE 11 10.656 -1.819 -14.584 117 HD2 PHE 11 HD1 PHE 11 6.929 -3.862 -14.356 118 HE1 PHE 11 HE2 PHE 11 11.619 -3.386 -12.950 119 HE2 PHE 11 HE1 PHE 11 7.886 -5.432 -12.721 120 HZ PHE 11 HZ PHE 11 10.234 -5.196 -12.017 121 H ILE 12 H ILE 12 7.481 -1.644 -12.751 122 HA ILE 12 HA ILE 12 4.790 -0.711 -12.191 123 HB ILE 12 HB ILE 12 5.425 -3.610 -12.689 124 HG12 ILE 12 2HG1 ILE 12 2.982 -3.149 -13.744 125 HG13 ILE 12 3HG1 ILE 12 3.672 -1.534 -13.872 126 HG21 ILE 12 1HG2 ILE 12 3.217 -2.429 -11.026 127 HG22 ILE 12 2HG2 ILE 12 3.114 -4.035 -11.745 128 HG23 ILE 12 3HG2 ILE 12 4.381 -3.673 -10.574 129 HD11 ILE 12 3HD1 ILE 12 4.129 -2.586 -15.912 130 HD12 ILE 12 1HD1 ILE 12 5.647 -2.632 -15.015 131 HD13 ILE 12 2HD1 ILE 12 4.643 -4.078 -15.123 Start of MODEL 8 1 H1 TYR 1 H TYR 1 1.485 -0.309 0.789 2 HA TYR 1 HA TYR 1 1.153 -0.287 -2.133 3 HB2 TYR 1 2HB TYR 1 2.434 1.553 -2.434 4 HB3 TYR 1 3HB TYR 1 1.972 1.919 -0.775 5 HD1 TYR 1 HD1 TYR 1 4.669 0.710 -2.950 6 HD2 TYR 1 HD2 TYR 1 3.563 1.715 1.034 7 HE1 TYR 1 HE1 TYR 1 7.040 0.703 -2.296 8 HE2 TYR 1 HE2 TYR 1 5.931 1.713 1.698 9 HH TYR 1 HH TYR 1 8.185 2.060 0.480 10 H VAL 2 H VAL 2 3.270 -0.861 -3.247 11 HA VAL 2 HA VAL 2 4.106 -3.404 -2.395 12 HB VAL 2 HB VAL 2 4.193 -2.377 -4.759 13 HG11 VAL 2 1HG1 VAL 2 7.003 -1.811 -4.582 14 HG12 VAL 2 2HG1 VAL 2 5.699 -0.810 -5.222 15 HG13 VAL 2 3HG1 VAL 2 6.098 -0.748 -3.505 16 HG21 VAL 2 3HG2 VAL 2 5.115 -4.351 -5.186 17 HG22 VAL 2 1HG2 VAL 2 6.691 -3.732 -4.693 18 HG23 VAL 2 2HG2 VAL 2 5.625 -4.478 -3.502 19 H LEU 3 H LEU 3 6.962 -3.083 -3.005 20 HA LEU 3 HA LEU 3 7.878 -1.762 -0.539 21 HB2 LEU 3 2HB LEU 3 9.349 -3.557 -0.044 22 HB3 LEU 3 3HB LEU 3 7.745 -4.240 -0.307 23 HG LEU 3 HG LEU 3 9.346 -5.703 -1.299 24 HD11 LEU 3 1HD1 LEU 3 7.200 -4.998 -2.562 25 HD12 LEU 3 2HD1 LEU 3 8.432 -5.931 -3.412 26 HD13 LEU 3 3HD1 LEU 3 8.316 -4.190 -3.664 27 HD21 LEU 3 3HD2 LEU 3 10.969 -3.601 -1.577 28 HD22 LEU 3 1HD2 LEU 3 10.365 -3.706 -3.231 29 HD23 LEU 3 2HD2 LEU 3 11.171 -5.093 -2.497 30 H TRP 4 H TRP 4 8.357 -2.462 -3.876 31 HA TRP 4 HA TRP 4 10.855 -0.896 -3.840 32 HB2 TRP 4 2HB TRP 4 11.167 -2.123 -6.147 33 HB3 TRP 4 3HB TRP 4 11.595 -2.931 -4.641 34 HD1 TRP 4 HD1 TRP 4 10.902 -5.381 -4.794 35 HE1 TRP 4 HE1 TRP 4 8.869 -6.680 -5.693 36 HE3 TRP 4 HE3 TRP 4 8.220 -1.470 -6.701 37 HZ2 TRP 4 HZ2 TRP 4 6.449 -6.119 -7.033 38 HZ3 TRP 4 HZ3 TRP 4 6.056 -1.936 -7.776 39 HH2 TRP 4 HH2 TRP 4 5.191 -4.214 -7.938 40 H LYS 5 H LYS 5 8.099 0.078 -4.006 41 HA LYS 5 HA LYS 5 7.450 0.779 -6.668 42 HB2 LYS 5 2HB LYS 5 6.282 1.085 -4.143 43 HB3 LYS 5 3HB LYS 5 6.532 2.725 -4.729 44 HG2 LYS 5 2HG LYS 5 5.316 0.755 -6.586 45 HG3 LYS 5 3HG LYS 5 4.330 1.372 -5.258 46 HD2 LYS 5 2HD LYS 5 4.503 3.588 -6.015 47 HD3 LYS 5 3HD LYS 5 5.863 3.210 -7.075 48 HE2 LYS 5 2HE LYS 5 4.526 2.334 -8.704 49 HE3 LYS 5 3HE LYS 5 3.296 1.799 -7.560 50 HZ1 LYS 5 3HZ LYS 5 2.361 3.573 -8.764 51 HZ2 LYS 5 1HZ LYS 5 3.742 4.537 -8.598 52 HZ3 LYS 5 2HZ LYS 5 2.764 4.222 -7.254 53 H ARG 6 H ARG 6 9.920 1.833 -4.643 54 HA ARG 6 HA ARG 6 10.185 4.531 -5.076 55 HB2 ARG 6 2HB ARG 6 11.726 3.407 -3.634 56 HB3 ARG 6 3HB ARG 6 12.299 2.383 -4.943 57 HG2 ARG 6 2HG ARG 6 13.899 4.145 -4.357 58 HG3 ARG 6 3HG ARG 6 13.334 4.279 -6.024 59 HD2 ARG 6 2HD ARG 6 12.521 6.317 -5.658 60 HD3 ARG 6 3HD ARG 6 11.632 5.769 -4.237 61 HE ARG 6 HE ARG 6 14.305 6.012 -3.506 62 HH11 ARG 6 1HH1 ARG 6 11.696 8.055 -4.574 63 HH12 ARG 6 2HH1 ARG 6 12.272 9.453 -3.729 64 HH21 ARG 6 1HH2 ARG 6 15.073 7.846 -2.389 65 HH22 ARG 6 2HH2 ARG 6 14.193 9.334 -2.487 66 H LYS 7 H LYS 7 12.156 2.250 -6.957 67 HA LYS 7 HA LYS 7 11.311 3.382 -9.468 68 HB2 LYS 7 2HB LYS 7 13.328 4.736 -8.193 69 HB3 LYS 7 3HB LYS 7 14.227 3.619 -9.213 70 HG2 LYS 7 2HG LYS 7 13.142 4.459 -11.183 71 HG3 LYS 7 3HG LYS 7 12.076 5.475 -10.210 72 HD2 LYS 7 2HD LYS 7 13.866 6.814 -11.146 73 HD3 LYS 7 3HD LYS 7 14.045 6.714 -9.392 74 HE2 LYS 7 2HE LYS 7 15.685 4.873 -9.731 75 HE3 LYS 7 3HE LYS 7 15.573 5.149 -11.469 76 HZ1 LYS 7 3HZ LYS 7 17.402 6.303 -9.974 77 HZ2 LYS 7 1HZ LYS 7 16.178 7.457 -9.789 78 HZ3 LYS 7 2HZ LYS 7 16.745 7.065 -11.334 79 H ARG 8 H ARG 8 13.227 1.178 -7.596 80 HA ARG 8 HA ARG 8 14.605 -0.291 -9.431 81 HB2 ARG 8 2HB ARG 8 13.243 -0.944 -6.879 82 HB3 ARG 8 3HB ARG 8 13.698 -2.305 -7.895 83 HG2 ARG 8 2HG ARG 8 15.405 -1.761 -6.219 84 HG3 ARG 8 3HG ARG 8 16.006 -1.605 -7.871 85 HD2 ARG 8 2HD ARG 8 15.691 0.811 -7.768 86 HD3 ARG 8 3HD ARG 8 15.050 0.666 -6.131 87 HE ARG 8 HE ARG 8 17.814 0.586 -6.928 88 HH11 ARG 8 1HH1 ARG 8 15.500 -0.314 -4.488 89 HH12 ARG 8 2HH1 ARG 8 16.678 -0.413 -3.222 90 HH21 ARG 8 1HH2 ARG 8 19.374 0.459 -5.270 91 HH22 ARG 8 2HH2 ARG 8 18.882 0.028 -3.667 92 H TYR 9 H TYR 9 11.148 -0.187 -8.968 93 HA TYR 9 HA TYR 9 10.835 -2.103 -11.186 94 HB2 TYR 9 2HB TYR 9 9.170 -1.682 -8.716 95 HB3 TYR 9 3HB TYR 9 8.490 -2.434 -10.154 96 HD1 TYR 9 HD1 TYR 9 11.681 -2.750 -8.220 97 HD2 TYR 9 HD2 TYR 9 8.372 -4.725 -10.023 98 HE1 TYR 9 HE1 TYR 9 12.598 -4.920 -7.512 99 HE2 TYR 9 HE2 TYR 9 9.279 -6.900 -9.319 100 HH TYR 9 HH TYR 9 11.320 -7.394 -7.046 101 H ILE 10 H ILE 10 11.285 0.539 -11.761 102 HA ILE 10 HA ILE 10 9.379 2.407 -11.923 103 HB ILE 10 HB ILE 10 11.209 1.456 -14.110 104 HG12 ILE 10 2HG1 ILE 10 11.571 4.163 -13.200 105 HG13 ILE 10 3HG1 ILE 10 11.515 3.075 -11.818 106 HG21 ILE 10 1HG2 ILE 10 9.167 3.649 -14.197 107 HG22 ILE 10 2HG2 ILE 10 10.631 3.719 -15.175 108 HG23 ILE 10 3HG2 ILE 10 9.493 2.389 -15.387 109 HD11 ILE 10 3HD1 ILE 10 13.685 2.780 -12.204 110 HD12 ILE 10 1HD1 ILE 10 13.170 1.746 -13.536 111 HD13 ILE 10 2HD1 ILE 10 13.578 3.435 -13.838 112 H PHE 11 H PHE 11 9.567 -0.284 -14.258 113 HA PHE 11 HA PHE 11 7.343 0.212 -15.761 114 HB2 PHE 11 2HB PHE 11 7.158 -2.305 -16.003 115 HB3 PHE 11 3HB PHE 11 8.739 -1.620 -16.362 116 HD1 PHE 11 HD2 PHE 11 10.556 -1.792 -14.643 117 HD2 PHE 11 HD1 PHE 11 6.880 -3.912 -14.317 118 HE1 PHE 11 HE2 PHE 11 11.589 -3.326 -13.021 119 HE2 PHE 11 HE1 PHE 11 7.906 -5.449 -12.693 120 HZ PHE 11 HZ PHE 11 10.264 -5.158 -12.044 121 H ILE 12 H ILE 12 7.417 -1.673 -12.741 122 HA ILE 12 HA ILE 12 4.720 -0.794 -12.128 123 HB ILE 12 HB ILE 12 5.407 -3.681 -12.621 124 HG12 ILE 12 2HG1 ILE 12 2.932 -3.280 -13.625 125 HG13 ILE 12 3HG1 ILE 12 3.583 -1.652 -13.779 126 HG21 ILE 12 1HG2 ILE 12 4.410 -3.772 -10.492 127 HG22 ILE 12 2HG2 ILE 12 3.227 -2.532 -10.903 128 HG23 ILE 12 3HG2 ILE 12 3.111 -4.135 -11.629 129 HD11 ILE 12 3HD1 ILE 12 4.020 -2.708 -15.821 130 HD12 ILE 12 1HD1 ILE 12 5.557 -2.715 -14.958 131 HD13 ILE 12 2HD1 ILE 12 4.582 -4.183 -15.035 Start of MODEL 9 1 H1 TYR 1 H TYR 1 -0.015 0.414 -0.319 2 HA TYR 1 HA TYR 1 1.040 -0.102 -2.362 3 HB2 TYR 1 2HB TYR 1 2.342 1.722 -2.674 4 HB3 TYR 1 3HB TYR 1 1.849 2.125 -1.033 5 HD1 TYR 1 HD1 TYR 1 4.581 0.851 -3.126 6 HD2 TYR 1 HD2 TYR 1 3.401 1.946 0.812 7 HE1 TYR 1 HE1 TYR 1 6.938 0.840 -2.424 8 HE2 TYR 1 HE2 TYR 1 5.755 1.939 1.525 9 HH TYR 1 HH TYR 1 7.993 2.182 0.489 10 H VAL 2 H VAL 2 3.175 -0.715 -3.420 11 HA VAL 2 HA VAL 2 3.973 -3.246 -2.500 12 HB VAL 2 HB VAL 2 4.116 -2.268 -4.881 13 HG11 VAL 2 1HG1 VAL 2 6.927 -1.721 -4.658 14 HG12 VAL 2 2HG1 VAL 2 5.644 -0.723 -5.345 15 HG13 VAL 2 3HG1 VAL 2 6.009 -0.629 -3.622 16 HG21 VAL 2 3HG2 VAL 2 5.031 -4.258 -5.249 17 HG22 VAL 2 1HG2 VAL 2 6.602 -3.641 -4.736 18 HG23 VAL 2 2HG2 VAL 2 5.505 -4.354 -3.553 19 H LEU 3 H LEU 3 6.843 -2.960 -3.056 20 HA LEU 3 HA LEU 3 7.719 -1.595 -0.600 21 HB2 LEU 3 2HB LEU 3 9.164 -3.392 -0.037 22 HB3 LEU 3 3HB LEU 3 7.561 -4.068 -0.320 23 HG LEU 3 HG LEU 3 9.170 -5.563 -1.248 24 HD11 LEU 3 1HD1 LEU 3 7.057 -4.867 -2.570 25 HD12 LEU 3 2HD1 LEU 3 8.298 -5.827 -3.375 26 HD13 LEU 3 3HD1 LEU 3 8.201 -4.090 -3.664 27 HD21 LEU 3 3HD2 LEU 3 11.025 -4.991 -2.418 28 HD22 LEU 3 1HD2 LEU 3 10.815 -3.479 -1.535 29 HD23 LEU 3 2HD2 LEU 3 10.245 -3.614 -3.199 30 H TRP 4 H TRP 4 8.261 -2.367 -3.910 31 HA TRP 4 HA TRP 4 10.770 -0.821 -3.855 32 HB2 TRP 4 2HB TRP 4 11.120 -2.097 -6.129 33 HB3 TRP 4 3HB TRP 4 11.510 -2.878 -4.599 34 HD1 TRP 4 HD1 TRP 4 10.801 -5.325 -4.716 35 HE1 TRP 4 HE1 TRP 4 8.776 -6.626 -5.630 36 HE3 TRP 4 HE3 TRP 4 8.190 -1.433 -6.758 37 HZ2 TRP 4 HZ2 TRP 4 6.389 -6.075 -7.032 38 HZ3 TRP 4 HZ3 TRP 4 6.045 -1.905 -7.868 39 HH2 TRP 4 HH2 TRP 4 5.166 -4.178 -8.002 40 H LYS 5 H LYS 5 8.026 0.171 -4.098 41 HA LYS 5 HA LYS 5 7.437 0.821 -6.787 42 HB2 LYS 5 2HB LYS 5 6.221 1.190 -4.293 43 HB3 LYS 5 3HB LYS 5 6.497 2.814 -4.907 44 HG2 LYS 5 2HG LYS 5 5.450 1.185 -7.005 45 HG3 LYS 5 3HG LYS 5 4.428 1.031 -5.574 46 HD2 LYS 5 2HD LYS 5 4.501 3.579 -5.457 47 HD3 LYS 5 3HD LYS 5 5.160 3.521 -7.093 48 HE2 LYS 5 2HE LYS 5 2.993 3.612 -7.696 49 HE3 LYS 5 3HE LYS 5 3.029 1.882 -7.360 50 HZ1 LYS 5 3HZ LYS 5 2.289 3.919 -5.336 51 HZ2 LYS 5 1HZ LYS 5 2.109 2.240 -5.222 52 HZ3 LYS 5 2HZ LYS 5 1.158 3.121 -6.309 53 H ARG 6 H ARG 6 9.874 1.898 -4.734 54 HA ARG 6 HA ARG 6 10.171 4.584 -5.218 55 HB2 ARG 6 2HB ARG 6 11.671 3.478 -3.720 56 HB3 ARG 6 3HB ARG 6 12.263 2.423 -4.996 57 HG2 ARG 6 2HG ARG 6 13.864 4.185 -4.412 58 HG3 ARG 6 3HG ARG 6 13.337 4.287 -6.093 59 HD2 ARG 6 2HD ARG 6 12.337 6.279 -5.788 60 HD3 ARG 6 3HD ARG 6 11.711 5.832 -4.202 61 HE ARG 6 HE ARG 6 14.089 7.304 -4.750 62 HH11 ARG 6 1HH1 ARG 6 12.653 5.036 -2.533 63 HH12 ARG 6 2HH1 ARG 6 13.641 5.519 -1.195 64 HH21 ARG 6 1HH2 ARG 6 15.396 7.949 -2.996 65 HH22 ARG 6 2HH2 ARG 6 15.201 7.176 -1.459 66 H LYS 7 H LYS 7 12.162 2.249 -7.008 67 HA LYS 7 HA LYS 7 11.378 3.331 -9.560 68 HB2 LYS 7 2HB LYS 7 13.378 4.699 -8.272 69 HB3 LYS 7 3HB LYS 7 14.290 3.556 -9.250 70 HG2 LYS 7 2HG LYS 7 13.250 4.361 -11.259 71 HG3 LYS 7 3HG LYS 7 12.172 5.404 -10.329 72 HD2 LYS 7 2HD LYS 7 13.989 6.711 -11.257 73 HD3 LYS 7 3HD LYS 7 14.132 6.647 -9.499 74 HE2 LYS 7 2HE LYS 7 15.767 4.790 -9.764 75 HE3 LYS 7 3HE LYS 7 15.691 5.027 -11.509 76 HZ1 LYS 7 3HZ LYS 7 16.226 7.499 -10.712 77 HZ2 LYS 7 1HZ LYS 7 17.429 6.370 -11.086 78 HZ3 LYS 7 2HZ LYS 7 16.994 6.640 -9.474 79 H ARG 8 H ARG 8 13.242 1.158 -7.600 80 HA ARG 8 HA ARG 8 14.648 -0.360 -9.373 81 HB2 ARG 8 2HB ARG 8 13.229 -0.948 -6.836 82 HB3 ARG 8 3HB ARG 8 13.696 -2.334 -7.813 83 HG2 ARG 8 2HG ARG 8 15.372 -1.763 -6.114 84 HG3 ARG 8 3HG ARG 8 16.008 -1.647 -7.756 85 HD2 ARG 8 2HD ARG 8 15.699 0.774 -7.711 86 HD3 ARG 8 3HD ARG 8 15.035 0.665 -6.082 87 HE ARG 8 HE ARG 8 17.649 -0.473 -6.275 88 HH11 ARG 8 1HH1 ARG 8 15.891 2.513 -5.943 89 HH12 ARG 8 2HH1 ARG 8 17.193 3.344 -5.157 90 HH21 ARG 8 1HH2 ARG 8 19.370 0.609 -5.240 91 HH22 ARG 8 2HH2 ARG 8 19.171 2.260 -4.758 92 H TYR 9 H TYR 9 11.183 -0.226 -8.984 93 HA TYR 9 HA TYR 9 10.904 -2.188 -11.166 94 HB2 TYR 9 2HB TYR 9 9.192 -1.705 -8.741 95 HB3 TYR 9 3HB TYR 9 8.537 -2.484 -10.177 96 HD1 TYR 9 HD1 TYR 9 11.686 -2.776 -8.170 97 HD2 TYR 9 HD2 TYR 9 8.403 -4.772 -9.999 98 HE1 TYR 9 HE1 TYR 9 12.575 -4.935 -7.397 99 HE2 TYR 9 HE2 TYR 9 9.283 -6.936 -9.230 100 HH TYR 9 HH TYR 9 12.435 -7.271 -7.903 101 H ILE 10 H ILE 10 11.381 0.438 -11.789 102 HA ILE 10 HA ILE 10 9.489 2.313 -12.029 103 HB ILE 10 HB ILE 10 11.358 1.305 -14.159 104 HG12 ILE 10 2HG1 ILE 10 11.717 4.029 -13.298 105 HG13 ILE 10 3HG1 ILE 10 11.628 2.970 -11.895 106 HG21 ILE 10 1HG2 ILE 10 9.351 3.530 -14.330 107 HG22 ILE 10 2HG2 ILE 10 10.821 3.525 -15.303 108 HG23 ILE 10 3HG2 ILE 10 9.648 2.219 -15.472 109 HD11 ILE 10 3HD1 ILE 10 13.308 1.594 -13.544 110 HD12 ILE 10 1HD1 ILE 10 13.729 3.271 -13.889 111 HD13 ILE 10 2HD1 ILE 10 13.806 2.664 -12.235 112 H PHE 11 H PHE 11 9.710 -0.429 -14.302 113 HA PHE 11 HA PHE 11 7.520 0.046 -15.861 114 HB2 PHE 11 2HB PHE 11 7.325 -2.474 -16.053 115 HB3 PHE 11 3HB PHE 11 8.918 -1.805 -16.394 116 HD1 PHE 11 HD2 PHE 11 10.698 -1.950 -14.635 117 HD2 PHE 11 HD1 PHE 11 7.004 -4.043 -14.339 118 HE1 PHE 11 HE2 PHE 11 11.688 -3.455 -12.959 119 HE2 PHE 11 HE1 PHE 11 7.988 -5.551 -12.662 120 HZ PHE 11 HZ PHE 11 10.334 -5.258 -11.971 121 H ILE 12 H ILE 12 7.522 -1.774 -12.800 122 HA ILE 12 HA ILE 12 4.817 -0.867 -12.262 123 HB ILE 12 HB ILE 12 5.497 -3.768 -12.678 124 HG12 ILE 12 2HG1 ILE 12 3.046 -3.375 -13.743 125 HG13 ILE 12 3HG1 ILE 12 3.710 -1.755 -13.917 126 HG21 ILE 12 1HG2 ILE 12 2.990 -3.928 -11.778 127 HG22 ILE 12 2HG2 ILE 12 4.394 -4.090 -10.725 128 HG23 ILE 12 3HG2 ILE 12 3.540 -2.551 -10.824 129 HD11 ILE 12 3HD1 ILE 12 4.182 -2.856 -15.927 130 HD12 ILE 12 1HD1 ILE 12 5.701 -2.853 -15.032 131 HD13 ILE 12 2HD1 ILE 12 4.719 -4.317 -15.098 Start of MODEL 10 1 H1 TYR 1 H TYR 1 0.722 -0.851 0.153 2 HA TYR 1 HA TYR 1 1.148 -0.082 -2.271 3 HB2 TYR 1 2HB TYR 1 2.476 1.724 -2.582 4 HB3 TYR 1 3HB TYR 1 1.997 2.127 -0.937 5 HD1 TYR 1 HD1 TYR 1 4.698 0.820 -3.050 6 HD2 TYR 1 HD2 TYR 1 3.556 1.916 0.900 7 HE1 TYR 1 HE1 TYR 1 7.058 0.769 -2.359 8 HE2 TYR 1 HE2 TYR 1 5.913 1.869 1.601 9 HH TYR 1 HH TYR 1 8.191 2.142 0.418 10 H VAL 2 H VAL 2 3.267 -0.723 -3.342 11 HA VAL 2 HA VAL 2 4.030 -3.270 -2.437 12 HB VAL 2 HB VAL 2 4.176 -2.284 -4.815 13 HG11 VAL 2 1HG1 VAL 2 6.997 -1.782 -4.605 14 HG12 VAL 2 2HG1 VAL 2 5.726 -0.761 -5.281 15 HG13 VAL 2 3HG1 VAL 2 6.101 -0.680 -3.559 16 HG21 VAL 2 3HG2 VAL 2 6.641 -3.697 -4.689 17 HG22 VAL 2 1HG2 VAL 2 5.538 -4.396 -3.503 18 HG23 VAL 2 2HG2 VAL 2 5.058 -4.287 -5.197 19 H LEU 3 H LEU 3 6.902 -3.025 -3.008 20 HA LEU 3 HA LEU 3 7.811 -1.685 -0.551 21 HB2 LEU 3 2HB LEU 3 9.232 -3.505 -0.004 22 HB3 LEU 3 3HB LEU 3 7.618 -4.155 -0.280 23 HG LEU 3 HG LEU 3 9.197 -5.671 -1.224 24 HD11 LEU 3 1HD1 LEU 3 7.088 -4.936 -2.530 25 HD12 LEU 3 2HD1 LEU 3 8.308 -5.913 -3.346 26 HD13 LEU 3 3HD1 LEU 3 8.238 -4.174 -3.629 27 HD21 LEU 3 3HD2 LEU 3 11.053 -5.124 -2.403 28 HD22 LEU 3 1HD2 LEU 3 10.873 -3.613 -1.511 29 HD23 LEU 3 2HD2 LEU 3 10.292 -3.730 -3.172 30 H TRP 4 H TRP 4 8.324 -2.452 -3.867 31 HA TRP 4 HA TRP 4 10.857 -0.944 -3.819 32 HB2 TRP 4 2HB TRP 4 11.174 -2.215 -6.101 33 HB3 TRP 4 3HB TRP 4 11.561 -3.009 -4.577 34 HD1 TRP 4 HD1 TRP 4 10.812 -5.444 -4.698 35 HE1 TRP 4 HE1 TRP 4 8.762 -6.709 -5.606 36 HE3 TRP 4 HE3 TRP 4 8.252 -1.503 -6.712 37 HZ2 TRP 4 HZ2 TRP 4 6.377 -6.115 -6.993 38 HZ3 TRP 4 HZ3 TRP 4 6.094 -1.937 -7.812 39 HH2 TRP 4 HH2 TRP 4 5.178 -4.195 -7.949 40 H LYS 5 H LYS 5 8.129 0.092 -4.041 41 HA LYS 5 HA LYS 5 7.538 0.766 -6.725 42 HB2 LYS 5 2HB LYS 5 6.337 1.137 -4.223 43 HB3 LYS 5 3HB LYS 5 6.632 2.761 -4.831 44 HG2 LYS 5 2HG LYS 5 5.494 0.957 -6.824 45 HG3 LYS 5 3HG LYS 5 4.460 1.213 -5.416 46 HD2 LYS 5 2HD LYS 5 5.205 3.744 -5.873 47 HD3 LYS 5 3HD LYS 5 5.323 3.112 -7.517 48 HE2 LYS 5 2HE LYS 5 3.088 2.848 -7.714 49 HE3 LYS 5 3HE LYS 5 2.890 2.367 -6.030 50 HZ1 LYS 5 3HZ LYS 5 3.660 5.068 -6.132 51 HZ2 LYS 5 1HZ LYS 5 2.219 4.404 -5.546 52 HZ3 LYS 5 2HZ LYS 5 2.346 4.845 -7.173 53 H ARG 6 H ARG 6 9.999 1.793 -4.675 54 HA ARG 6 HA ARG 6 10.332 4.478 -5.139 55 HB2 ARG 6 2HB ARG 6 11.826 3.341 -3.660 56 HB3 ARG 6 3HB ARG 6 12.392 2.284 -4.946 57 HG2 ARG 6 2HG ARG 6 14.025 4.017 -4.361 58 HG3 ARG 6 3HG ARG 6 13.490 4.136 -6.039 59 HD2 ARG 6 2HD ARG 6 13.619 6.334 -4.955 60 HD3 ARG 6 3HD ARG 6 11.975 5.938 -5.456 61 HE ARG 6 HE ARG 6 12.199 5.119 -2.829 62 HH11 ARG 6 1HH1 ARG 6 12.465 8.104 -4.601 63 HH12 ARG 6 2HH1 ARG 6 11.932 9.088 -3.279 64 HH21 ARG 6 1HH2 ARG 6 11.496 6.404 -1.081 65 HH22 ARG 6 2HH2 ARG 6 11.382 8.121 -1.276 66 H LYS 7 H LYS 7 12.268 2.123 -6.965 67 HA LYS 7 HA LYS 7 11.492 3.252 -9.499 68 HB2 LYS 7 2HB LYS 7 13.529 4.559 -8.213 69 HB3 LYS 7 3HB LYS 7 14.410 3.401 -9.201 70 HG2 LYS 7 2HG LYS 7 13.388 4.245 -11.202 71 HG3 LYS 7 3HG LYS 7 12.334 5.305 -10.263 72 HD2 LYS 7 2HD LYS 7 14.176 6.580 -11.181 73 HD3 LYS 7 3HD LYS 7 14.326 6.495 -9.424 74 HE2 LYS 7 2HE LYS 7 15.914 4.598 -9.722 75 HE3 LYS 7 3HE LYS 7 15.842 4.870 -11.462 76 HZ1 LYS 7 3HZ LYS 7 17.481 6.137 -9.607 77 HZ2 LYS 7 1HZ LYS 7 16.392 7.305 -10.165 78 HZ3 LYS 7 2HZ LYS 7 17.355 6.453 -11.264 79 H ARG 8 H ARG 8 13.307 1.008 -7.577 80 HA ARG 8 HA ARG 8 14.665 -0.523 -9.376 81 HB2 ARG 8 2HB ARG 8 13.243 -1.108 -6.839 82 HB3 ARG 8 3HB ARG 8 13.677 -2.492 -7.835 83 HG2 ARG 8 2HG ARG 8 15.369 -1.977 -6.134 84 HG3 ARG 8 3HG ARG 8 16.003 -1.858 -7.777 85 HD2 ARG 8 2HD ARG 8 15.766 0.564 -7.707 86 HD3 ARG 8 3HD ARG 8 15.076 0.463 -6.088 87 HE ARG 8 HE ARG 8 17.513 -0.771 -5.898 88 HH11 ARG 8 1HH1 ARG 8 16.383 2.371 -6.881 89 HH12 ARG 8 2HH1 ARG 8 17.826 3.190 -6.381 90 HH21 ARG 8 1HH2 ARG 8 19.418 0.296 -5.236 91 HH22 ARG 8 2HH2 ARG 8 19.551 2.009 -5.447 92 H TYR 9 H TYR 9 11.208 -0.300 -8.970 93 HA TYR 9 HA TYR 9 10.866 -2.233 -11.169 94 HB2 TYR 9 2HB TYR 9 9.176 -1.726 -8.732 95 HB3 TYR 9 3HB TYR 9 8.496 -2.474 -10.173 96 HD1 TYR 9 HD1 TYR 9 11.643 -2.868 -8.181 97 HD2 TYR 9 HD2 TYR 9 8.301 -4.758 -10.014 98 HE1 TYR 9 HE1 TYR 9 12.476 -5.057 -7.430 99 HE2 TYR 9 HE2 TYR 9 9.124 -6.952 -9.267 100 HH TYR 9 HH TYR 9 12.242 -7.449 -8.113 101 H ILE 10 H ILE 10 11.413 0.386 -11.767 102 HA ILE 10 HA ILE 10 9.573 2.314 -11.982 103 HB ILE 10 HB ILE 10 11.405 1.276 -14.129 104 HG12 ILE 10 2HG1 ILE 10 11.843 3.980 -13.244 105 HG13 ILE 10 3HG1 ILE 10 11.728 2.912 -11.850 106 HG21 ILE 10 1HG2 ILE 10 9.391 3.479 -14.285 107 HG22 ILE 10 2HG2 ILE 10 10.905 3.597 -15.179 108 HG23 ILE 10 3HG2 ILE 10 9.805 2.252 -15.483 109 HD11 ILE 10 3HD1 ILE 10 13.888 2.522 -12.193 110 HD12 ILE 10 1HD1 ILE 10 13.364 1.514 -13.542 111 HD13 ILE 10 2HD1 ILE 10 13.840 3.189 -13.825 112 H PHE 11 H PHE 11 9.709 -0.410 -14.283 113 HA PHE 11 HA PHE 11 7.527 0.141 -15.828 114 HB2 PHE 11 2HB PHE 11 7.263 -2.371 -16.045 115 HB3 PHE 11 3HB PHE 11 8.872 -1.742 -16.385 116 HD1 PHE 11 HD2 PHE 11 10.653 -1.954 -14.634 117 HD2 PHE 11 HD1 PHE 11 6.904 -3.948 -14.346 118 HE1 PHE 11 HE2 PHE 11 11.608 -3.502 -12.978 119 HE2 PHE 11 HE1 PHE 11 7.853 -5.500 -12.689 120 HZ PHE 11 HZ PHE 11 10.208 -5.279 -12.004 121 H ILE 12 H ILE 12 7.491 -1.710 -12.786 122 HA ILE 12 HA ILE 12 4.815 -0.735 -12.226 123 HB ILE 12 HB ILE 12 5.413 -3.649 -12.676 124 HG12 ILE 12 2HG1 ILE 12 2.969 -3.178 -13.725 125 HG13 ILE 12 3HG1 ILE 12 3.677 -1.575 -13.886 126 HG21 ILE 12 1HG2 ILE 12 3.077 -4.002 -11.722 127 HG22 ILE 12 2HG2 ILE 12 4.379 -3.701 -10.571 128 HG23 ILE 12 3HG2 ILE 12 3.259 -2.406 -10.995 129 HD11 ILE 12 3HD1 ILE 12 4.110 -2.667 -15.909 130 HD12 ILE 12 1HD1 ILE 12 5.633 -2.715 -15.020 131 HD13 ILE 12 2HD1 ILE 12 4.611 -4.151 -15.098 Start of MODEL 11 1 H1 TYR 1 H TYR 1 1.215 -0.404 0.685 2 HA TYR 1 HA TYR 1 0.958 -0.344 -2.235 3 HB2 TYR 1 2HB TYR 1 2.205 1.520 -2.536 4 HB3 TYR 1 3HB TYR 1 1.696 1.902 -0.895 5 HD1 TYR 1 HD1 TYR 1 4.470 0.718 -2.986 6 HD2 TYR 1 HD2 TYR 1 3.247 1.761 0.954 7 HE1 TYR 1 HE1 TYR 1 6.824 0.774 -2.277 8 HE2 TYR 1 HE2 TYR 1 5.598 1.821 1.673 9 HH TYR 1 HH TYR 1 7.906 2.229 0.393 10 H VAL 2 H VAL 2 3.112 -0.889 -3.289 11 HA VAL 2 HA VAL 2 3.983 -3.398 -2.376 12 HB VAL 2 HB VAL 2 4.103 -2.408 -4.754 13 HG11 VAL 2 1HG1 VAL 2 6.896 -1.778 -4.521 14 HG12 VAL 2 2HG1 VAL 2 5.585 -0.816 -5.208 15 HG13 VAL 2 3HG1 VAL 2 5.943 -0.718 -3.484 16 HG21 VAL 2 3HG2 VAL 2 5.550 -4.456 -3.430 17 HG22 VAL 2 1HG2 VAL 2 5.078 -4.367 -5.127 18 HG23 VAL 2 2HG2 VAL 2 6.629 -3.708 -4.607 19 H LEU 3 H LEU 3 6.845 -3.024 -2.924 20 HA LEU 3 HA LEU 3 7.673 -1.643 -0.461 21 HB2 LEU 3 2HB LEU 3 9.171 -3.397 0.099 22 HB3 LEU 3 3HB LEU 3 7.590 -4.120 -0.191 23 HG LEU 3 HG LEU 3 9.244 -5.562 -1.121 24 HD11 LEU 3 1HD1 LEU 3 8.385 -5.845 -3.249 25 HD12 LEU 3 2HD1 LEU 3 8.237 -4.111 -3.533 26 HD13 LEU 3 3HD1 LEU 3 7.114 -4.924 -2.444 27 HD21 LEU 3 3HD2 LEU 3 11.084 -4.930 -2.284 28 HD22 LEU 3 1HD2 LEU 3 10.826 -3.428 -1.396 29 HD23 LEU 3 2HD2 LEU 3 10.265 -3.574 -3.061 30 H TRP 4 H TRP 4 8.247 -2.386 -3.773 31 HA TRP 4 HA TRP 4 10.708 -0.765 -3.705 32 HB2 TRP 4 2HB TRP 4 11.100 -2.021 -5.984 33 HB3 TRP 4 3HB TRP 4 11.510 -2.796 -4.457 34 HD1 TRP 4 HD1 TRP 4 10.874 -5.262 -4.582 35 HE1 TRP 4 HE1 TRP 4 8.892 -6.620 -5.506 36 HE3 TRP 4 HE3 TRP 4 8.154 -1.443 -6.618 37 HZ2 TRP 4 HZ2 TRP 4 6.492 -6.135 -6.912 38 HZ3 TRP 4 HZ3 TRP 4 6.027 -1.974 -7.735 39 HH2 TRP 4 HH2 TRP 4 5.215 -4.273 -7.878 40 H LYS 5 H LYS 5 7.936 0.146 -3.950 41 HA LYS 5 HA LYS 5 7.337 0.791 -6.638 42 HB2 LYS 5 2HB LYS 5 6.100 1.107 -4.147 43 HB3 LYS 5 3HB LYS 5 6.326 2.743 -4.752 44 HG2 LYS 5 2HG LYS 5 5.213 0.733 -6.624 45 HG3 LYS 5 3HG LYS 5 4.176 1.304 -5.315 46 HD2 LYS 5 2HD LYS 5 4.064 3.426 -6.147 47 HD3 LYS 5 3HD LYS 5 5.671 3.342 -6.873 48 HE2 LYS 5 2HE LYS 5 4.247 1.447 -8.275 49 HE3 LYS 5 3HE LYS 5 3.061 2.726 -8.016 50 HZ1 LYS 5 3HZ LYS 5 4.812 4.290 -8.879 51 HZ2 LYS 5 1HZ LYS 5 4.151 3.230 -10.020 52 HZ3 LYS 5 2HZ LYS 5 5.685 2.928 -9.374 53 H ARG 6 H ARG 6 9.732 1.930 -4.570 54 HA ARG 6 HA ARG 6 9.946 4.628 -5.033 55 HB2 ARG 6 2HB ARG 6 11.480 3.570 -3.541 56 HB3 ARG 6 3HB ARG 6 12.098 2.525 -4.814 57 HG2 ARG 6 2HG ARG 6 13.653 4.332 -4.231 58 HG3 ARG 6 3HG ARG 6 13.130 4.408 -5.915 59 HD2 ARG 6 2HD ARG 6 12.029 6.358 -5.622 60 HD3 ARG 6 3HD ARG 6 11.490 5.929 -3.999 61 HE ARG 6 HE ARG 6 13.830 7.424 -4.702 62 HH11 ARG 6 1HH1 ARG 6 12.423 5.312 -2.319 63 HH12 ARG 6 2HH1 ARG 6 13.418 5.894 -1.026 64 HH21 ARG 6 1HH2 ARG 6 15.147 8.198 -3.008 65 HH22 ARG 6 2HH2 ARG 6 14.967 7.536 -1.419 66 H LYS 7 H LYS 7 12.004 2.363 -6.841 67 HA LYS 7 HA LYS 7 11.197 3.453 -9.383 68 HB2 LYS 7 2HB LYS 7 13.173 4.843 -8.075 69 HB3 LYS 7 3HB LYS 7 14.101 3.735 -9.076 70 HG2 LYS 7 2HG LYS 7 13.037 4.553 -11.066 71 HG3 LYS 7 3HG LYS 7 11.941 5.557 -10.114 72 HD2 LYS 7 2HD LYS 7 13.736 6.910 -11.035 73 HD3 LYS 7 3HD LYS 7 13.869 6.836 -9.276 74 HE2 LYS 7 2HE LYS 7 15.550 5.028 -9.535 75 HE3 LYS 7 3HE LYS 7 15.470 5.250 -11.282 76 HZ1 LYS 7 3HZ LYS 7 16.200 7.548 -10.965 77 HZ2 LYS 7 1HZ LYS 7 17.335 6.447 -10.362 78 HZ3 LYS 7 2HZ LYS 7 16.325 7.289 -9.298 79 H ARG 8 H ARG 8 13.097 1.295 -7.444 80 HA ARG 8 HA ARG 8 14.538 -0.173 -9.231 81 HB2 ARG 8 2HB ARG 8 13.119 -0.825 -6.707 82 HB3 ARG 8 3HB ARG 8 13.631 -2.185 -7.698 83 HG2 ARG 8 2HG ARG 8 15.277 -1.586 -5.977 84 HG3 ARG 8 3HG ARG 8 15.923 -1.439 -7.612 85 HD2 ARG 8 2HD ARG 8 15.509 0.982 -7.541 86 HD3 ARG 8 3HD ARG 8 14.901 0.819 -5.894 87 HE ARG 8 HE ARG 8 17.060 0.755 -5.157 88 HH11 ARG 8 1HH1 ARG 8 17.016 0.025 -8.560 89 HH12 ARG 8 2HH1 ARG 8 18.742 0.017 -8.714 90 HH21 ARG 8 1HH2 ARG 8 19.333 0.747 -5.346 91 HH22 ARG 8 2HH2 ARG 8 20.059 0.427 -6.885 92 H TYR 9 H TYR 9 11.070 -0.110 -8.852 93 HA TYR 9 HA TYR 9 10.835 -2.054 -11.055 94 HB2 TYR 9 2HB TYR 9 9.104 -1.627 -8.631 95 HB3 TYR 9 3HB TYR 9 8.472 -2.406 -10.077 96 HD1 TYR 9 HD1 TYR 9 11.616 -2.653 -8.058 97 HD2 TYR 9 HD2 TYR 9 8.384 -4.698 -9.920 98 HE1 TYR 9 HE1 TYR 9 12.545 -4.800 -7.299 99 HE2 TYR 9 HE2 TYR 9 9.303 -6.850 -9.166 100 HH TYR 9 HH TYR 9 12.155 -7.002 -7.083 101 H ILE 10 H ILE 10 11.265 0.588 -11.646 102 HA ILE 10 HA ILE 10 9.338 2.429 -11.875 103 HB ILE 10 HB ILE 10 11.238 1.482 -14.004 104 HG12 ILE 10 2HG1 ILE 10 11.532 4.204 -13.114 105 HG13 ILE 10 3HG1 ILE 10 11.461 3.128 -11.723 106 HG21 ILE 10 1HG2 ILE 10 9.046 3.471 -14.212 107 HG22 ILE 10 2HG2 ILE 10 10.590 3.864 -14.966 108 HG23 ILE 10 3HG2 ILE 10 9.726 2.402 -15.438 109 HD11 ILE 10 3HD1 ILE 10 13.567 3.511 -13.691 110 HD12 ILE 10 1HD1 ILE 10 13.643 2.862 -12.053 111 HD13 ILE 10 2HD1 ILE 10 13.179 1.816 -13.396 112 H PHE 11 H PHE 11 9.623 -0.283 -14.177 113 HA PHE 11 HA PHE 11 7.432 0.166 -15.742 114 HB2 PHE 11 2HB PHE 11 7.288 -2.355 -15.962 115 HB3 PHE 11 3HB PHE 11 8.868 -1.651 -16.287 116 HD1 PHE 11 HD2 PHE 11 10.642 -1.780 -14.521 117 HD2 PHE 11 HD1 PHE 11 6.988 -3.949 -14.268 118 HE1 PHE 11 HE2 PHE 11 11.654 -3.284 -12.857 119 HE2 PHE 11 HE1 PHE 11 7.994 -5.455 -12.602 120 HZ PHE 11 HZ PHE 11 10.330 -5.125 -11.896 121 H ILE 12 H ILE 12 7.454 -1.686 -12.701 122 HA ILE 12 HA ILE 12 4.730 -0.839 -12.167 123 HB ILE 12 HB ILE 12 5.469 -3.721 -12.611 124 HG12 ILE 12 2HG1 ILE 12 3.016 -3.365 -13.683 125 HG13 ILE 12 3HG1 ILE 12 3.649 -1.730 -13.837 126 HG21 ILE 12 1HG2 ILE 12 4.388 -4.012 -10.617 127 HG22 ILE 12 2HG2 ILE 12 3.409 -2.559 -10.809 128 HG23 ILE 12 3HG2 ILE 12 3.010 -4.017 -11.717 129 HD11 ILE 12 3HD1 ILE 12 4.152 -2.800 -15.856 130 HD12 ILE 12 1HD1 ILE 12 5.666 -2.777 -14.953 131 HD13 ILE 12 2HD1 ILE 12 4.714 -4.259 -15.040 Start of MODEL 12 1 H1 TYR 1 H TYR 1 1.623 0.022 0.599 2 HA TYR 1 HA TYR 1 1.279 -0.055 -2.293 3 HB2 TYR 1 2HB TYR 1 2.521 1.769 -2.810 4 HB3 TYR 1 3HB TYR 1 2.041 2.307 -1.205 5 HD1 TYR 1 HD1 TYR 1 4.783 0.925 -3.218 6 HD2 TYR 1 HD2 TYR 1 3.628 2.373 0.613 7 HE1 TYR 1 HE1 TYR 1 7.150 1.065 -2.564 8 HE2 TYR 1 HE2 TYR 1 5.992 2.517 1.277 9 HH TYR 1 HH TYR 1 8.511 2.433 -0.859 10 H VAL 2 H VAL 2 3.414 -0.670 -3.367 11 HA VAL 2 HA VAL 2 4.322 -3.095 -2.285 12 HB VAL 2 HB VAL 2 4.383 -2.287 -4.733 13 HG11 VAL 2 1HG1 VAL 2 7.173 -1.639 -4.636 14 HG12 VAL 2 2HG1 VAL 2 5.837 -0.717 -5.329 15 HG13 VAL 2 3HG1 VAL 2 6.263 -0.514 -3.629 16 HG21 VAL 2 3HG2 VAL 2 5.357 -4.268 -4.979 17 HG22 VAL 2 1HG2 VAL 2 6.916 -3.566 -4.545 18 HG23 VAL 2 2HG2 VAL 2 5.867 -4.227 -3.291 19 H LEU 3 H LEU 3 7.169 -2.756 -2.925 20 HA LEU 3 HA LEU 3 8.047 -1.185 -0.596 21 HB2 LEU 3 2HB LEU 3 9.564 -2.888 0.064 22 HB3 LEU 3 3HB LEU 3 7.979 -3.632 -0.128 23 HG LEU 3 HG LEU 3 9.612 -5.143 -0.981 24 HD11 LEU 3 1HD1 LEU 3 8.704 -5.592 -3.060 25 HD12 LEU 3 2HD1 LEU 3 8.546 -3.886 -3.476 26 HD13 LEU 3 3HD1 LEU 3 7.451 -4.612 -2.300 27 HD21 LEU 3 3HD2 LEU 3 10.583 -3.304 -3.090 28 HD22 LEU 3 1HD2 LEU 3 11.419 -4.608 -2.245 29 HD23 LEU 3 2HD2 LEU 3 11.192 -3.048 -1.454 30 H TRP 4 H TRP 4 8.543 -2.177 -3.853 31 HA TRP 4 HA TRP 4 11.001 -0.554 -3.968 32 HB2 TRP 4 2HB TRP 4 11.347 -1.986 -6.150 33 HB3 TRP 4 3HB TRP 4 11.797 -2.635 -4.575 34 HD1 TRP 4 HD1 TRP 4 11.167 -5.104 -4.482 35 HE1 TRP 4 HE1 TRP 4 9.172 -6.538 -5.250 36 HE3 TRP 4 HE3 TRP 4 8.390 -1.471 -6.768 37 HZ2 TRP 4 HZ2 TRP 4 6.743 -6.176 -6.642 38 HZ3 TRP 4 HZ3 TRP 4 6.243 -2.099 -7.794 39 HH2 TRP 4 HH2 TRP 4 5.439 -4.403 -7.732 40 H LYS 5 H LYS 5 8.224 0.331 -4.221 41 HA LYS 5 HA LYS 5 7.559 0.757 -6.938 42 HB2 LYS 5 2HB LYS 5 6.354 1.235 -4.477 43 HB3 LYS 5 3HB LYS 5 6.606 2.842 -5.146 44 HG2 LYS 5 2HG LYS 5 5.328 2.327 -7.081 45 HG3 LYS 5 3HG LYS 5 5.268 0.614 -6.659 46 HD2 LYS 5 2HD LYS 5 3.577 0.907 -5.199 47 HD3 LYS 5 3HD LYS 5 4.229 2.433 -4.598 48 HE2 LYS 5 2HE LYS 5 3.496 3.257 -7.010 49 HE3 LYS 5 3HE LYS 5 2.371 1.909 -6.857 50 HZ1 LYS 5 3HZ LYS 5 1.184 3.634 -5.950 51 HZ2 LYS 5 1HZ LYS 5 2.542 4.373 -5.262 52 HZ3 LYS 5 2HZ LYS 5 1.893 2.977 -4.561 53 H ARG 6 H ARG 6 9.983 2.079 -5.005 54 HA ARG 6 HA ARG 6 10.170 4.727 -5.723 55 HB2 ARG 6 2HB ARG 6 11.715 3.849 -4.137 56 HB3 ARG 6 3HB ARG 6 12.329 2.668 -5.287 57 HG2 ARG 6 2HG ARG 6 13.873 4.550 -4.892 58 HG3 ARG 6 3HG ARG 6 13.384 4.393 -6.581 59 HD2 ARG 6 2HD ARG 6 13.392 6.735 -5.767 60 HD3 ARG 6 3HD ARG 6 11.817 6.200 -6.350 61 HE ARG 6 HE ARG 6 10.981 6.483 -4.240 62 HH11 ARG 6 1HH1 ARG 6 14.459 6.431 -4.089 63 HH12 ARG 6 2HH1 ARG 6 14.523 6.881 -2.417 64 HH21 ARG 6 1HH2 ARG 6 11.053 7.077 -2.039 65 HH22 ARG 6 2HH2 ARG 6 12.585 7.247 -1.251 66 H LYS 7 H LYS 7 12.284 2.344 -7.291 67 HA LYS 7 HA LYS 7 11.481 3.248 -9.928 68 HB2 LYS 7 2HB LYS 7 14.318 3.604 -8.941 69 HB3 LYS 7 3HB LYS 7 13.778 3.848 -10.597 70 HG2 LYS 7 2HG LYS 7 12.346 5.678 -9.877 71 HG3 LYS 7 3HG LYS 7 12.843 5.421 -8.203 72 HD2 LYS 7 2HD LYS 7 14.767 6.066 -10.431 73 HD3 LYS 7 3HD LYS 7 14.024 7.291 -9.401 74 HE2 LYS 7 2HE LYS 7 15.275 5.054 -7.966 75 HE3 LYS 7 3HE LYS 7 16.392 6.061 -8.886 76 HZ1 LYS 7 3HZ LYS 7 16.281 7.580 -7.300 77 HZ2 LYS 7 1HZ LYS 7 15.229 6.601 -6.406 78 HZ3 LYS 7 2HZ LYS 7 14.608 7.727 -7.505 79 H ARG 8 H ARG 8 13.172 1.085 -7.823 80 HA ARG 8 HA ARG 8 14.531 -0.610 -9.463 81 HB2 ARG 8 2HB ARG 8 12.963 -0.998 -6.968 82 HB3 ARG 8 3HB ARG 8 13.428 -2.444 -7.854 83 HG2 ARG 8 2HG ARG 8 15.060 -1.947 -6.148 84 HG3 ARG 8 3HG ARG 8 15.775 -1.739 -7.748 85 HD2 ARG 8 2HD ARG 8 15.761 0.589 -7.581 86 HD3 ARG 8 3HD ARG 8 14.574 0.579 -6.277 87 HE ARG 8 HE ARG 8 16.282 0.333 -4.776 88 HH11 ARG 8 1HH1 ARG 8 17.450 -0.438 -7.963 89 HH12 ARG 8 2HH1 ARG 8 19.106 -0.566 -7.468 90 HH21 ARG 8 1HH2 ARG 8 18.458 0.168 -4.111 91 HH22 ARG 8 2HH2 ARG 8 19.677 -0.222 -5.276 92 H TYR 9 H TYR 9 11.060 -0.280 -9.174 93 HA TYR 9 HA TYR 9 10.742 -2.288 -11.309 94 HB2 TYR 9 2HB TYR 9 9.006 -1.676 -8.930 95 HB3 TYR 9 3HB TYR 9 8.344 -2.459 -10.361 96 HD1 TYR 9 HD1 TYR 9 11.440 -2.839 -8.288 97 HD2 TYR 9 HD2 TYR 9 8.108 -4.734 -10.135 98 HE1 TYR 9 HE1 TYR 9 12.221 -5.016 -7.450 99 HE2 TYR 9 HE2 TYR 9 8.879 -6.915 -9.302 100 HH TYR 9 HH TYR 9 11.495 -7.194 -7.027 101 H ILE 10 H ILE 10 11.339 0.312 -11.968 102 HA ILE 10 HA ILE 10 9.516 2.244 -12.297 103 HB ILE 10 HB ILE 10 11.433 1.143 -14.332 104 HG12 ILE 10 2HG1 ILE 10 11.773 3.893 -13.497 105 HG13 ILE 10 3HG1 ILE 10 11.682 2.824 -12.102 106 HG21 ILE 10 1HG2 ILE 10 9.518 3.439 -14.644 107 HG22 ILE 10 2HG2 ILE 10 10.996 3.295 -15.594 108 HG23 ILE 10 3HG2 ILE 10 9.749 2.053 -15.710 109 HD11 ILE 10 3HD1 ILE 10 13.968 3.072 -12.718 110 HD12 ILE 10 1HD1 ILE 10 13.463 1.435 -13.137 111 HD13 ILE 10 2HD1 ILE 10 13.615 2.661 -14.397 112 H PHE 11 H PHE 11 9.725 -0.542 -14.517 113 HA PHE 11 HA PHE 11 7.604 -0.027 -16.157 114 HB2 PHE 11 2HB PHE 11 7.335 -2.541 -16.315 115 HB3 PHE 11 3HB PHE 11 8.961 -1.931 -16.606 116 HD1 PHE 11 HD2 PHE 11 10.667 -2.100 -14.774 117 HD2 PHE 11 HD1 PHE 11 6.899 -4.073 -14.595 118 HE1 PHE 11 HE2 PHE 11 11.543 -3.608 -13.038 119 HE2 PHE 11 HE1 PHE 11 7.769 -5.584 -12.858 120 HZ PHE 11 HZ PHE 11 10.094 -5.353 -12.079 121 H ILE 12 H ILE 12 7.444 -1.789 -13.066 122 HA ILE 12 HA ILE 12 4.756 -0.786 -12.634 123 HB ILE 12 HB ILE 12 5.351 -3.715 -12.983 124 HG12 ILE 12 2HG1 ILE 12 2.950 -3.260 -14.134 125 HG13 ILE 12 3HG1 ILE 12 3.672 -1.664 -14.310 126 HG21 ILE 12 1HG2 ILE 12 4.186 -3.943 -11.044 127 HG22 ILE 12 2HG2 ILE 12 3.354 -2.401 -11.233 128 HG23 ILE 12 3HG2 ILE 12 2.827 -3.805 -12.160 129 HD11 ILE 12 3HD1 ILE 12 4.176 -2.808 -16.287 130 HD12 ILE 12 1HD1 ILE 12 5.663 -2.847 -15.340 131 HD13 ILE 12 2HD1 ILE 12 4.631 -4.276 -15.422 Start of MODEL 13 1 H1 TYR 1 H TYR 1 1.685 -0.190 0.628 2 HA TYR 1 HA TYR 1 1.482 0.166 -2.158 3 HB2 TYR 1 2HB TYR 1 2.807 1.935 -2.657 4 HB3 TYR 1 3HB TYR 1 2.380 2.462 -1.033 5 HD1 TYR 1 HD2 TYR 1 5.015 0.988 -3.121 6 HD2 TYR 1 HD1 TYR 1 3.998 2.410 0.758 7 HE1 TYR 1 HE2 TYR 1 7.396 0.992 -2.504 8 HE2 TYR 1 HE1 TYR 1 6.376 2.419 1.385 9 HH TYR 1 HH TYR 1 8.462 1.349 0.709 10 H VAL 2 H VAL 2 3.565 -0.533 -3.281 11 HA VAL 2 HA VAL 2 4.366 -3.024 -2.265 12 HB VAL 2 HB VAL 2 4.429 -2.167 -4.697 13 HG11 VAL 2 1HG1 VAL 2 7.249 -1.663 -4.633 14 HG12 VAL 2 2HG1 VAL 2 5.951 -0.660 -5.283 15 HG13 VAL 2 3HG1 VAL 2 6.413 -0.516 -3.587 16 HG21 VAL 2 3HG2 VAL 2 5.834 -4.210 -3.322 17 HG22 VAL 2 1HG2 VAL 2 5.297 -4.187 -5.001 18 HG23 VAL 2 2HG2 VAL 2 6.896 -3.577 -4.578 19 H LEU 3 H LEU 3 7.216 -2.815 -2.946 20 HA LEU 3 HA LEU 3 8.209 -1.342 -0.600 21 HB2 LEU 3 2HB LEU 3 9.648 -3.134 -0.001 22 HB3 LEU 3 3HB LEU 3 8.023 -3.792 -0.182 23 HG LEU 3 HG LEU 3 9.564 -5.365 -1.094 24 HD11 LEU 3 1HD1 LEU 3 8.602 -5.722 -3.167 25 HD12 LEU 3 2HD1 LEU 3 8.525 -4.001 -3.544 26 HD13 LEU 3 3HD1 LEU 3 7.412 -4.696 -2.366 27 HD21 LEU 3 3HD2 LEU 3 11.376 -4.895 -2.376 28 HD22 LEU 3 1HD2 LEU 3 11.239 -3.343 -1.550 29 HD23 LEU 3 2HD2 LEU 3 10.594 -3.532 -3.180 30 H TRP 4 H TRP 4 8.602 -2.287 -3.885 31 HA TRP 4 HA TRP 4 11.138 -0.788 -4.007 32 HB2 TRP 4 2HB TRP 4 11.376 -2.188 -6.224 33 HB3 TRP 4 3HB TRP 4 11.816 -2.893 -4.671 34 HD1 TRP 4 HD1 TRP 4 11.063 -5.329 -4.619 35 HE1 TRP 4 HE1 TRP 4 8.986 -6.642 -5.384 36 HE3 TRP 4 HE3 TRP 4 8.439 -1.511 -6.782 37 HZ2 TRP 4 HZ2 TRP 4 6.557 -6.128 -6.727 38 HZ3 TRP 4 HZ3 TRP 4 6.247 -2.006 -7.785 39 HH2 TRP 4 HH2 TRP 4 5.328 -4.267 -7.757 40 H LYS 5 H LYS 5 8.405 0.242 -4.195 41 HA LYS 5 HA LYS 5 7.721 0.760 -6.891 42 HB2 LYS 5 2HB LYS 5 6.581 1.245 -4.400 43 HB3 LYS 5 3HB LYS 5 6.903 2.851 -5.040 44 HG2 LYS 5 2HG LYS 5 5.570 2.443 -6.963 45 HG3 LYS 5 3HG LYS 5 5.430 0.727 -6.576 46 HD2 LYS 5 2HD LYS 5 3.841 1.076 -4.987 47 HD3 LYS 5 3HD LYS 5 4.500 2.645 -4.519 48 HE2 LYS 5 2HE LYS 5 3.406 3.758 -6.232 49 HE3 LYS 5 3HE LYS 5 3.215 2.294 -7.197 50 HZ1 LYS 5 3HZ LYS 5 1.411 3.430 -5.366 51 HZ2 LYS 5 1HZ LYS 5 1.858 1.901 -4.796 52 HZ3 LYS 5 2HZ LYS 5 1.200 2.066 -6.345 53 H ARG 6 H ARG 6 10.239 1.915 -4.972 54 HA ARG 6 HA ARG 6 10.549 4.565 -5.637 55 HB2 ARG 6 2HB ARG 6 12.073 3.575 -4.097 56 HB3 ARG 6 3HB ARG 6 12.607 2.390 -5.281 57 HG2 ARG 6 2HG ARG 6 14.252 4.181 -4.874 58 HG3 ARG 6 3HG ARG 6 13.727 4.089 -6.556 59 HD2 ARG 6 2HD ARG 6 13.887 6.409 -5.574 60 HD3 ARG 6 3HD ARG 6 12.348 5.996 -6.329 61 HE ARG 6 HE ARG 6 12.299 5.439 -3.547 62 HH11 ARG 6 1HH1 ARG 6 12.147 8.048 -5.847 63 HH12 ARG 6 2HH1 ARG 6 11.223 9.083 -4.809 64 HH21 ARG 6 1HH2 ARG 6 11.083 6.792 -2.171 65 HH22 ARG 6 2HH2 ARG 6 10.619 8.367 -2.718 66 H LYS 7 H LYS 7 12.513 2.112 -7.291 67 HA LYS 7 HA LYS 7 11.714 3.113 -9.894 68 HB2 LYS 7 2HB LYS 7 14.581 3.306 -8.948 69 HB3 LYS 7 3HB LYS 7 14.028 3.612 -10.589 70 HG2 LYS 7 2HG LYS 7 12.699 5.495 -9.807 71 HG3 LYS 7 3HG LYS 7 13.213 5.178 -8.148 72 HD2 LYS 7 2HD LYS 7 15.138 5.759 -10.391 73 HD3 LYS 7 3HD LYS 7 14.460 7.013 -9.350 74 HE2 LYS 7 2HE LYS 7 15.666 4.679 -7.995 75 HE3 LYS 7 3HE LYS 7 16.777 5.756 -8.839 76 HZ1 LYS 7 3HZ LYS 7 16.600 7.230 -7.213 77 HZ2 LYS 7 1HZ LYS 7 15.678 6.118 -6.331 78 HZ3 LYS 7 2HZ LYS 7 14.912 7.253 -7.325 79 H ARG 8 H ARG 8 13.328 0.823 -7.864 80 HA ARG 8 HA ARG 8 14.573 -0.901 -9.562 81 HB2 ARG 8 2HB ARG 8 13.029 -1.264 -7.049 82 HB3 ARG 8 3HB ARG 8 13.404 -2.713 -7.973 83 HG2 ARG 8 2HG ARG 8 15.087 -2.335 -6.285 84 HG3 ARG 8 3HG ARG 8 15.786 -2.133 -7.893 85 HD2 ARG 8 2HD ARG 8 15.897 0.188 -7.683 86 HD3 ARG 8 3HD ARG 8 14.733 0.216 -6.359 87 HE ARG 8 HE ARG 8 17.058 -1.224 -5.620 88 HH11 ARG 8 1HH1 ARG 8 15.870 2.007 -6.136 89 HH12 ARG 8 2HH1 ARG 8 16.987 2.735 -5.029 90 HH21 ARG 8 1HH2 ARG 8 18.533 -0.279 -4.160 91 HH22 ARG 8 2HH2 ARG 8 18.502 1.433 -3.906 92 H TYR 9 H TYR 9 11.128 -0.405 -9.208 93 HA TYR 9 HA TYR 9 10.676 -2.348 -11.378 94 HB2 TYR 9 2HB TYR 9 9.011 -1.701 -8.958 95 HB3 TYR 9 3HB TYR 9 8.288 -2.419 -10.393 96 HD1 TYR 9 HD1 TYR 9 11.393 -2.997 -8.380 97 HD2 TYR 9 HD2 TYR 9 7.942 -4.683 -10.211 98 HE1 TYR 9 HE1 TYR 9 12.076 -5.228 -7.600 99 HE2 TYR 9 HE2 TYR 9 8.615 -6.918 -9.435 100 HH TYR 9 HH TYR 9 11.410 -7.368 -7.330 101 H ILE 10 H ILE 10 11.393 0.233 -11.993 102 HA ILE 10 HA ILE 10 9.665 2.261 -12.251 103 HB ILE 10 HB ILE 10 11.490 1.108 -14.341 104 HG12 ILE 10 2HG1 ILE 10 11.984 3.820 -13.455 105 HG13 ILE 10 3HG1 ILE 10 11.860 2.726 -12.081 106 HG21 ILE 10 1HG2 ILE 10 9.954 2.124 -15.746 107 HG22 ILE 10 2HG2 ILE 10 9.588 3.402 -14.589 108 HG23 ILE 10 3HG2 ILE 10 11.121 3.414 -15.460 109 HD11 ILE 10 3HD1 ILE 10 14.072 2.525 -12.503 110 HD12 ILE 10 1HD1 ILE 10 13.481 1.269 -13.590 111 HD13 ILE 10 2HD1 ILE 10 13.891 2.863 -14.224 112 H PHE 11 H PHE 11 9.696 -0.484 -14.531 113 HA PHE 11 HA PHE 11 7.579 0.172 -16.123 114 HB2 PHE 11 2HB PHE 11 7.181 -2.322 -16.329 115 HB3 PHE 11 3HB PHE 11 8.830 -1.788 -16.635 116 HD1 PHE 11 HD2 PHE 11 10.554 -2.082 -14.837 117 HD2 PHE 11 HD1 PHE 11 6.696 -3.866 -14.633 118 HE1 PHE 11 HE2 PHE 11 11.381 -3.668 -13.148 119 HE2 PHE 11 HE1 PHE 11 7.516 -5.456 -12.943 120 HZ PHE 11 HZ PHE 11 9.862 -5.359 -12.200 121 H ILE 12 H ILE 12 7.380 -1.646 -13.068 122 HA ILE 12 HA ILE 12 4.752 -0.519 -12.569 123 HB ILE 12 HB ILE 12 5.194 -3.466 -12.988 124 HG12 ILE 12 2HG1 ILE 12 2.801 -2.866 -14.088 125 HG13 ILE 12 3HG1 ILE 12 3.600 -1.306 -14.244 126 HG21 ILE 12 1HG2 ILE 12 4.093 -3.556 -10.960 127 HG22 ILE 12 2HG2 ILE 12 3.179 -2.081 -11.271 128 HG23 ILE 12 3HG2 ILE 12 2.752 -3.576 -12.104 129 HD11 ILE 12 3HD1 ILE 12 4.011 -2.435 -16.252 130 HD12 ILE 12 1HD1 ILE 12 5.510 -2.564 -15.333 131 HD13 ILE 12 2HD1 ILE 12 4.410 -3.939 -15.423 Start of MODEL 14 1 H1 TYR 1 H TYR 1 2.109 0.412 0.880 2 HA TYR 1 HA TYR 1 1.637 0.130 -2.011 3 HB2 TYR 1 2HB TYR 1 2.902 1.929 -2.545 4 HB3 TYR 1 3HB TYR 1 2.519 2.452 -0.909 5 HD1 TYR 1 HD2 TYR 1 5.110 1.031 -3.084 6 HD2 TYR 1 HD1 TYR 1 4.195 2.418 0.833 7 HE1 TYR 1 HE2 TYR 1 7.509 1.076 -2.546 8 HE2 TYR 1 HE1 TYR 1 6.592 2.468 1.382 9 HH TYR 1 HH TYR 1 8.747 2.624 0.203 10 H VAL 2 H VAL 2 3.699 -0.555 -3.164 11 HA VAL 2 HA VAL 2 4.576 -3.009 -2.116 12 HB VAL 2 HB VAL 2 4.549 -2.210 -4.568 13 HG11 VAL 2 1HG1 VAL 2 6.512 -0.479 -3.567 14 HG12 VAL 2 2HG1 VAL 2 7.365 -1.644 -4.582 15 HG13 VAL 2 3HG1 VAL 2 6.031 -0.701 -5.249 16 HG21 VAL 2 3HG2 VAL 2 6.038 -4.190 -3.189 17 HG22 VAL 2 1HG2 VAL 2 5.449 -4.219 -4.851 18 HG23 VAL 2 2HG2 VAL 2 7.048 -3.566 -4.493 19 H LEU 3 H LEU 3 7.400 -2.758 -2.890 20 HA LEU 3 HA LEU 3 8.432 -1.213 -0.607 21 HB2 LEU 3 2HB LEU 3 9.927 -2.959 -0.015 22 HB3 LEU 3 3HB LEU 3 8.312 -3.657 -0.134 23 HG LEU 3 HG LEU 3 9.862 -5.214 -1.059 24 HD11 LEU 3 1HD1 LEU 3 8.844 -5.639 -3.092 25 HD12 LEU 3 2HD1 LEU 3 8.718 -3.929 -3.504 26 HD13 LEU 3 3HD1 LEU 3 7.657 -4.621 -2.277 27 HD21 LEU 3 3HD2 LEU 3 11.471 -3.158 -1.613 28 HD22 LEU 3 1HD2 LEU 3 10.785 -3.412 -3.218 29 HD23 LEU 3 2HD2 LEU 3 11.625 -4.730 -2.400 30 H TRP 4 H TRP 4 8.752 -2.229 -3.881 31 HA TRP 4 HA TRP 4 11.248 -0.679 -4.113 32 HB2 TRP 4 2HB TRP 4 11.444 -2.117 -6.309 33 HB3 TRP 4 3HB TRP 4 11.948 -2.782 -4.758 34 HD1 TRP 4 HD1 TRP 4 11.246 -5.230 -4.634 35 HE1 TRP 4 HE1 TRP 4 9.172 -6.599 -5.305 36 HE3 TRP 4 HE3 TRP 4 8.478 -1.509 -6.785 37 HZ2 TRP 4 HZ2 TRP 4 6.692 -6.160 -6.579 38 HZ3 TRP 4 HZ3 TRP 4 6.266 -2.067 -7.707 39 HH2 TRP 4 HH2 TRP 4 5.393 -4.345 -7.605 40 H LYS 5 H LYS 5 8.488 0.290 -4.235 41 HA LYS 5 HA LYS 5 7.717 0.746 -6.920 42 HB2 LYS 5 2HB LYS 5 6.663 1.282 -4.382 43 HB3 LYS 5 3HB LYS 5 6.880 2.860 -5.127 44 HG2 LYS 5 2HG LYS 5 5.640 0.823 -6.844 45 HG3 LYS 5 3HG LYS 5 4.691 1.316 -5.440 46 HD2 LYS 5 2HD LYS 5 4.502 3.497 -6.167 47 HD3 LYS 5 3HD LYS 5 5.963 3.405 -7.153 48 HE2 LYS 5 2HE LYS 5 4.369 1.537 -8.339 49 HE3 LYS 5 3HE LYS 5 3.187 2.737 -7.819 50 HZ1 LYS 5 3HZ LYS 5 5.269 4.163 -8.925 51 HZ2 LYS 5 1HZ LYS 5 3.743 3.898 -9.605 52 HZ3 LYS 5 2HZ LYS 5 5.026 2.859 -9.974 53 H ARG 6 H ARG 6 10.264 1.984 -5.098 54 HA ARG 6 HA ARG 6 10.498 4.630 -5.800 55 HB2 ARG 6 2HB ARG 6 12.741 2.604 -5.702 56 HB3 ARG 6 3HB ARG 6 12.921 4.349 -5.580 57 HG2 ARG 6 2HG ARG 6 11.047 3.399 -3.621 58 HG3 ARG 6 3HG ARG 6 12.574 2.523 -3.500 59 HD2 ARG 6 2HD ARG 6 13.147 4.290 -2.213 60 HD3 ARG 6 3HD ARG 6 13.514 5.018 -3.777 61 HE ARG 6 HE ARG 6 10.808 5.470 -3.049 62 HH11 ARG 6 1HH1 ARG 6 14.062 6.512 -2.386 63 HH12 ARG 6 2HH1 ARG 6 13.591 8.105 -1.893 64 HH21 ARG 6 1HH2 ARG 6 10.175 7.564 -2.403 65 HH22 ARG 6 2HH2 ARG 6 11.380 8.702 -1.903 66 H LYS 7 H LYS 7 12.399 2.164 -7.516 67 HA LYS 7 HA LYS 7 11.498 3.131 -10.091 68 HB2 LYS 7 2HB LYS 7 14.274 3.625 -9.051 69 HB3 LYS 7 3HB LYS 7 13.976 3.455 -10.776 70 HG2 LYS 7 2HG LYS 7 13.648 5.660 -10.741 71 HG3 LYS 7 3HG LYS 7 12.070 5.269 -10.054 72 HD2 LYS 7 2HD LYS 7 13.105 6.946 -8.683 73 HD3 LYS 7 3HD LYS 7 13.090 5.425 -7.787 74 HE2 LYS 7 2HE LYS 7 15.399 5.056 -8.215 75 HE3 LYS 7 3HE LYS 7 15.456 6.367 -9.393 76 HZ1 LYS 7 3HZ LYS 7 16.362 7.345 -7.542 77 HZ2 LYS 7 1HZ LYS 7 15.363 6.514 -6.459 78 HZ3 LYS 7 2HZ LYS 7 14.740 7.795 -7.371 79 H ARG 8 H ARG 8 13.262 0.912 -8.104 80 HA ARG 8 HA ARG 8 14.478 -0.800 -9.833 81 HB2 ARG 8 2HB ARG 8 12.998 -1.225 -7.275 82 HB3 ARG 8 3HB ARG 8 13.509 -2.636 -8.192 83 HG2 ARG 8 2HG ARG 8 15.259 -2.302 -6.718 84 HG3 ARG 8 3HG ARG 8 15.830 -1.521 -8.194 85 HD2 ARG 8 2HD ARG 8 15.365 0.634 -7.351 86 HD3 ARG 8 3HD ARG 8 14.400 -0.012 -6.024 87 HE ARG 8 HE ARG 8 16.913 -1.046 -5.656 88 HH11 ARG 8 1HH1 ARG 8 15.535 2.140 -5.913 89 HH12 ARG 8 2HH1 ARG 8 16.720 2.877 -4.886 90 HH21 ARG 8 1HH2 ARG 8 18.479 -0.088 -4.302 91 HH22 ARG 8 2HH2 ARG 8 18.394 1.609 -3.971 92 H TYR 9 H TYR 9 11.040 -0.391 -9.335 93 HA TYR 9 HA TYR 9 10.546 -2.376 -11.458 94 HB2 TYR 9 2HB TYR 9 8.957 -1.732 -8.985 95 HB3 TYR 9 3HB TYR 9 8.212 -2.512 -10.375 96 HD1 TYR 9 HD1 TYR 9 11.397 -2.923 -8.449 97 HD2 TYR 9 HD2 TYR 9 7.965 -4.784 -10.139 98 HE1 TYR 9 HE1 TYR 9 12.191 -5.107 -7.641 99 HE2 TYR 9 HE2 TYR 9 8.748 -6.973 -9.335 100 HH TYR 9 HH TYR 9 10.312 -7.765 -7.383 101 H ILE 10 H ILE 10 11.165 0.215 -12.137 102 HA ILE 10 HA ILE 10 9.373 2.192 -12.345 103 HB ILE 10 HB ILE 10 11.138 1.060 -14.498 104 HG12 ILE 10 2HG1 ILE 10 11.597 3.795 -13.668 105 HG13 ILE 10 3HG1 ILE 10 11.559 2.719 -12.276 106 HG21 ILE 10 1HG2 ILE 10 10.643 3.391 -15.580 107 HG22 ILE 10 2HG2 ILE 10 9.578 2.020 -15.884 108 HG23 ILE 10 3HG2 ILE 10 9.121 3.246 -14.701 109 HD11 ILE 10 3HD1 ILE 10 13.809 2.892 -13.003 110 HD12 ILE 10 1HD1 ILE 10 13.233 1.286 -13.448 111 HD13 ILE 10 2HD1 ILE 10 13.360 2.549 -14.673 112 H PHE 11 H PHE 11 9.382 -0.584 -14.588 113 HA PHE 11 HA PHE 11 7.180 -0.007 -16.096 114 HB2 PHE 11 2HB PHE 11 6.843 -2.513 -16.252 115 HB3 PHE 11 3HB PHE 11 8.462 -1.939 -16.638 116 HD1 PHE 11 HD2 PHE 11 10.271 -2.161 -14.916 117 HD2 PHE 11 HD1 PHE 11 6.476 -4.046 -14.515 118 HE1 PHE 11 HE2 PHE 11 11.216 -3.701 -13.245 119 HE2 PHE 11 HE1 PHE 11 7.414 -5.588 -12.843 120 HZ PHE 11 HZ PHE 11 9.787 -5.418 -12.207 121 H ILE 12 H ILE 12 7.164 -1.787 -13.012 122 HA ILE 12 HA ILE 12 4.529 -0.726 -12.415 123 HB ILE 12 HB ILE 12 5.035 -3.665 -12.814 124 HG12 ILE 12 2HG1 ILE 12 2.581 -3.147 -13.816 125 HG13 ILE 12 3HG1 ILE 12 3.329 -1.568 -14.028 126 HG21 ILE 12 1HG2 ILE 12 2.664 -3.867 -11.817 127 HG22 ILE 12 2HG2 ILE 12 4.035 -3.717 -10.719 128 HG23 ILE 12 3HG2 ILE 12 3.021 -2.315 -11.058 129 HD11 ILE 12 3HD1 ILE 12 3.685 -2.713 -16.037 130 HD12 ILE 12 1HD1 ILE 12 5.225 -2.788 -15.182 131 HD13 ILE 12 2HD1 ILE 12 4.161 -4.194 -15.206 Start of MODEL 15 1 H1 TYR 1 H TYR 1 2.097 0.472 0.779 2 HA TYR 1 HA TYR 1 1.642 0.234 -2.109 3 HB2 TYR 1 2HB TYR 1 2.900 2.026 -2.681 4 HB3 TYR 1 3HB TYR 1 2.508 2.586 -1.059 5 HD1 TYR 1 HD1 TYR 1 5.115 1.128 -3.191 6 HD2 TYR 1 HD2 TYR 1 4.177 2.597 0.690 7 HE1 TYR 1 HE1 TYR 1 7.512 1.199 -2.645 8 HE2 TYR 1 HE2 TYR 1 6.572 2.673 1.247 9 HH TYR 1 HH TYR 1 8.914 2.783 -0.716 10 H VAL 2 H VAL 2 3.711 -0.467 -3.240 11 HA VAL 2 HA VAL 2 4.597 -2.891 -2.133 12 HB VAL 2 HB VAL 2 4.575 -2.148 -4.603 13 HG11 VAL 2 1HG1 VAL 2 7.388 -1.568 -4.618 14 HG12 VAL 2 2HG1 VAL 2 6.052 -0.648 -5.312 15 HG13 VAL 2 3HG1 VAL 2 6.527 -0.386 -3.634 16 HG21 VAL 2 3HG2 VAL 2 5.486 -4.160 -4.835 17 HG22 VAL 2 1HG2 VAL 2 7.080 -3.488 -4.488 18 HG23 VAL 2 2HG2 VAL 2 6.070 -4.088 -3.172 19 H LEU 3 H LEU 3 7.423 -2.643 -2.902 20 HA LEU 3 HA LEU 3 8.439 -1.041 -0.652 21 HB2 LEU 3 2HB LEU 3 9.940 -2.766 -0.015 22 HB3 LEU 3 3HB LEU 3 8.330 -3.475 -0.123 23 HG LEU 3 HG LEU 3 9.891 -5.045 -1.008 24 HD11 LEU 3 1HD1 LEU 3 8.883 -5.520 -3.034 25 HD12 LEU 3 2HD1 LEU 3 8.748 -3.821 -3.485 26 HD13 LEU 3 3HD1 LEU 3 7.687 -4.491 -2.246 27 HD21 LEU 3 3HD2 LEU 3 10.813 -3.287 -3.203 28 HD22 LEU 3 1HD2 LEU 3 11.656 -4.582 -2.353 29 HD23 LEU 3 2HD2 LEU 3 11.492 -2.994 -1.602 30 H TRP 4 H TRP 4 8.775 -2.130 -3.900 31 HA TRP 4 HA TRP 4 11.265 -0.572 -4.159 32 HB2 TRP 4 2HB TRP 4 11.475 -2.059 -6.321 33 HB3 TRP 4 3HB TRP 4 11.977 -2.686 -4.754 34 HD1 TRP 4 HD1 TRP 4 11.287 -5.135 -4.576 35 HE1 TRP 4 HE1 TRP 4 9.223 -6.530 -5.223 36 HE3 TRP 4 HE3 TRP 4 8.507 -1.478 -6.821 37 HZ2 TRP 4 HZ2 TRP 4 6.744 -6.132 -6.514 38 HZ3 TRP 4 HZ3 TRP 4 6.301 -2.068 -7.736 39 HH2 TRP 4 HH2 TRP 4 5.440 -4.348 -7.586 40 H LYS 5 H LYS 5 8.500 0.380 -4.313 41 HA LYS 5 HA LYS 5 7.736 0.770 -7.010 42 HB2 LYS 5 2HB LYS 5 6.669 1.357 -4.489 43 HB3 LYS 5 3HB LYS 5 6.881 2.919 -5.267 44 HG2 LYS 5 2HG LYS 5 5.727 1.052 -7.113 45 HG3 LYS 5 3HG LYS 5 4.788 1.097 -5.619 46 HD2 LYS 5 2HD LYS 5 4.278 3.344 -5.856 47 HD3 LYS 5 3HD LYS 5 5.659 3.650 -6.912 48 HE2 LYS 5 2HE LYS 5 4.535 2.251 -8.651 49 HE3 LYS 5 3HE LYS 5 3.121 2.177 -7.601 50 HZ1 LYS 5 3HZ LYS 5 3.436 4.775 -7.663 51 HZ2 LYS 5 1HZ LYS 5 2.572 3.961 -8.869 52 HZ3 LYS 5 2HZ LYS 5 4.175 4.425 -9.144 53 H ARG 6 H ARG 6 10.272 2.060 -5.209 54 HA ARG 6 HA ARG 6 10.496 4.691 -5.963 55 HB2 ARG 6 2HB ARG 6 12.755 2.685 -5.839 56 HB3 ARG 6 3HB ARG 6 12.915 4.432 -5.728 57 HG2 ARG 6 2HG ARG 6 11.049 3.477 -3.765 58 HG3 ARG 6 3HG ARG 6 12.583 2.615 -3.636 59 HD2 ARG 6 2HD ARG 6 13.710 4.453 -2.965 60 HD3 ARG 6 3HD ARG 6 12.782 5.530 -4.008 61 HE ARG 6 HE ARG 6 11.082 4.684 -1.982 62 HH11 ARG 6 1HH1 ARG 6 14.019 6.525 -2.309 63 HH12 ARG 6 2HH1 ARG 6 13.708 7.513 -0.920 64 HH21 ARG 6 1HH2 ARG 6 10.662 5.978 -0.151 65 HH22 ARG 6 2HH2 ARG 6 11.799 7.200 0.307 66 H LYS 7 H LYS 7 12.392 2.190 -7.636 67 HA LYS 7 HA LYS 7 11.489 3.104 -10.227 68 HB2 LYS 7 2HB LYS 7 14.254 3.656 -9.193 69 HB3 LYS 7 3HB LYS 7 13.973 3.425 -10.914 70 HG2 LYS 7 2HG LYS 7 13.612 5.623 -10.961 71 HG3 LYS 7 3HG LYS 7 12.038 5.238 -10.260 72 HD2 LYS 7 2HD LYS 7 13.056 6.977 -8.951 73 HD3 LYS 7 3HD LYS 7 13.052 5.489 -8.001 74 HE2 LYS 7 2HE LYS 7 15.365 5.125 -8.414 75 HE3 LYS 7 3HE LYS 7 15.413 6.395 -9.635 76 HZ1 LYS 7 3HZ LYS 7 15.026 6.756 -6.715 77 HZ2 LYS 7 1HZ LYS 7 14.899 8.001 -7.853 78 HZ3 LYS 7 2HZ LYS 7 16.378 7.212 -7.624 79 H ARG 8 H ARG 8 13.278 0.943 -8.198 80 HA ARG 8 HA ARG 8 14.505 -0.795 -9.895 81 HB2 ARG 8 2HB ARG 8 13.039 -1.177 -7.323 82 HB3 ARG 8 3HB ARG 8 13.556 -2.604 -8.211 83 HG2 ARG 8 2HG ARG 8 15.291 -2.194 -6.715 84 HG3 ARG 8 3HG ARG 8 15.872 -1.524 -8.241 85 HD2 ARG 8 2HD ARG 8 15.320 0.702 -7.542 86 HD3 ARG 8 3HD ARG 8 14.520 0.097 -6.092 87 HE ARG 8 HE ARG 8 17.241 -0.713 -6.184 88 HH11 ARG 8 1HH1 ARG 8 15.177 2.007 -5.506 89 HH12 ARG 8 2HH1 ARG 8 16.298 2.752 -4.416 90 HH21 ARG 8 1HH2 ARG 8 18.726 0.258 -4.750 91 HH22 ARG 8 2HH2 ARG 8 18.317 1.757 -3.987 92 H TYR 9 H TYR 9 11.065 -0.404 -9.398 93 HA TYR 9 HA TYR 9 10.583 -2.440 -11.473 94 HB2 TYR 9 2HB TYR 9 8.992 -1.751 -9.013 95 HB3 TYR 9 3HB TYR 9 8.253 -2.574 -10.383 96 HD1 TYR 9 HD1 TYR 9 11.440 -2.902 -8.442 97 HD2 TYR 9 HD2 TYR 9 8.035 -4.844 -10.096 98 HE1 TYR 9 HE1 TYR 9 12.257 -5.055 -7.579 99 HE2 TYR 9 HE2 TYR 9 8.841 -7.002 -9.236 100 HH TYR 9 HH TYR 9 10.853 -8.058 -8.509 101 H ILE 10 H ILE 10 11.180 0.140 -12.211 102 HA ILE 10 HA ILE 10 9.370 2.096 -12.461 103 HB ILE 10 HB ILE 10 11.143 0.932 -14.589 104 HG12 ILE 10 2HG1 ILE 10 11.577 3.689 -13.823 105 HG13 ILE 10 3HG1 ILE 10 11.551 2.645 -12.406 106 HG21 ILE 10 1HG2 ILE 10 10.594 3.305 -15.654 107 HG22 ILE 10 2HG2 ILE 10 9.664 1.859 -16.045 108 HG23 ILE 10 3HG2 ILE 10 9.047 3.010 -14.860 109 HD11 ILE 10 3HD1 ILE 10 13.402 2.581 -14.753 110 HD12 ILE 10 1HD1 ILE 10 13.784 2.702 -13.036 111 HD13 ILE 10 2HD1 ILE 10 13.199 1.178 -13.705 112 H PHE 11 H PHE 11 9.401 -0.728 -14.641 113 HA PHE 11 HA PHE 11 7.193 -0.204 -16.158 114 HB2 PHE 11 2HB PHE 11 6.877 -2.716 -16.258 115 HB3 PHE 11 3HB PHE 11 8.490 -2.137 -16.659 116 HD1 PHE 11 HD2 PHE 11 10.304 -2.305 -14.935 117 HD2 PHE 11 HD1 PHE 11 6.526 -4.213 -14.488 118 HE1 PHE 11 HE2 PHE 11 11.264 -3.798 -13.232 119 HE2 PHE 11 HE1 PHE 11 7.480 -5.710 -12.783 120 HZ PHE 11 HZ PHE 11 9.852 -5.504 -12.154 121 H ILE 12 H ILE 12 7.195 -1.916 -13.035 122 HA ILE 12 HA ILE 12 4.552 -0.865 -12.458 123 HB ILE 12 HB ILE 12 5.084 -3.807 -12.793 124 HG12 ILE 12 2HG1 ILE 12 2.624 -3.333 -13.803 125 HG13 ILE 12 3HG1 ILE 12 3.357 -1.752 -14.051 126 HG21 ILE 12 1HG2 ILE 12 3.237 -2.437 -10.931 127 HG22 ILE 12 2HG2 ILE 12 2.600 -3.819 -11.820 128 HG23 ILE 12 3HG2 ILE 12 4.024 -4.009 -10.798 129 HD11 ILE 12 3HD1 ILE 12 3.722 -2.937 -16.034 130 HD12 ILE 12 1HD1 ILE 12 5.263 -2.982 -15.179 131 HD13 ILE 12 2HD1 ILE 12 4.210 -4.397 -15.173 Start of MODEL 16 1 H1 TYR 1 H TYR 1 1.020 -0.617 0.296 2 HA TYR 1 HA TYR 1 1.340 -0.009 -2.187 3 HB2 TYR 1 2HB TYR 1 2.613 1.800 -2.676 4 HB3 TYR 1 3HB TYR 1 2.152 2.317 -1.058 5 HD1 TYR 1 HD2 TYR 1 4.856 0.922 -3.113 6 HD2 TYR 1 HD1 TYR 1 3.751 2.321 0.750 7 HE1 TYR 1 HE2 TYR 1 7.228 1.003 -2.471 8 HE2 TYR 1 HE1 TYR 1 6.121 2.407 1.403 9 HH TYR 1 HH TYR 1 8.625 2.313 -0.751 10 H VAL 2 H VAL 2 3.457 -0.644 -3.284 11 HA VAL 2 HA VAL 2 4.324 -3.106 -2.253 12 HB VAL 2 HB VAL 2 4.387 -2.253 -4.687 13 HG11 VAL 2 1HG1 VAL 2 7.189 -1.660 -4.593 14 HG12 VAL 2 2HG1 VAL 2 5.867 -0.700 -5.261 15 HG13 VAL 2 3HG1 VAL 2 6.306 -0.537 -3.560 16 HG21 VAL 2 3HG2 VAL 2 5.840 -4.247 -3.291 17 HG22 VAL 2 1HG2 VAL 2 5.321 -4.245 -4.977 18 HG23 VAL 2 2HG2 VAL 2 6.896 -3.584 -4.538 19 H LEU 3 H LEU 3 7.173 -2.808 -2.904 20 HA LEU 3 HA LEU 3 8.094 -1.299 -0.551 21 HB2 LEU 3 2HB LEU 3 9.582 -3.043 0.068 22 HB3 LEU 3 3HB LEU 3 7.981 -3.753 -0.129 23 HG LEU 3 HG LEU 3 9.580 -5.279 -1.020 24 HD11 LEU 3 1HD1 LEU 3 7.423 -4.682 -2.317 25 HD12 LEU 3 2HD1 LEU 3 8.653 -5.671 -3.103 26 HD13 LEU 3 3HD1 LEU 3 8.526 -3.954 -3.485 27 HD21 LEU 3 3HD2 LEU 3 11.390 -4.755 -2.285 28 HD22 LEU 3 1HD2 LEU 3 11.197 -3.206 -1.463 29 HD23 LEU 3 2HD2 LEU 3 10.575 -3.419 -3.100 30 H TRP 4 H TRP 4 8.553 -2.238 -3.829 31 HA TRP 4 HA TRP 4 11.041 -0.661 -3.928 32 HB2 TRP 4 2HB TRP 4 11.348 -2.057 -6.138 33 HB3 TRP 4 3HB TRP 4 11.793 -2.744 -4.579 34 HD1 TRP 4 HD1 TRP 4 11.116 -5.203 -4.529 35 HE1 TRP 4 HE1 TRP 4 9.090 -6.583 -5.313 36 HE3 TRP 4 HE3 TRP 4 8.397 -1.475 -6.730 37 HZ2 TRP 4 HZ2 TRP 4 6.661 -6.149 -6.684 38 HZ3 TRP 4 HZ3 TRP 4 6.233 -2.041 -7.755 39 HH2 TRP 4 HH2 TRP 4 5.385 -4.331 -7.732 40 H LYS 5 H LYS 5 8.279 0.281 -4.148 41 HA LYS 5 HA LYS 5 7.608 0.772 -6.853 42 HB2 LYS 5 2HB LYS 5 6.426 1.226 -4.375 43 HB3 LYS 5 3HB LYS 5 6.704 2.840 -5.016 44 HG2 LYS 5 2HG LYS 5 5.406 2.386 -6.952 45 HG3 LYS 5 3HG LYS 5 5.316 0.666 -6.563 46 HD2 LYS 5 2HD LYS 5 3.663 0.963 -5.051 47 HD3 LYS 5 3HD LYS 5 4.316 2.501 -4.483 48 HE2 LYS 5 2HE LYS 5 2.604 3.434 -5.578 49 HE3 LYS 5 3HE LYS 5 3.530 3.098 -7.040 50 HZ1 LYS 5 3HZ LYS 5 2.289 1.194 -7.475 51 HZ2 LYS 5 1HZ LYS 5 1.128 2.307 -6.951 52 HZ3 LYS 5 2HZ LYS 5 1.675 1.100 -5.901 53 H ARG 6 H ARG 6 10.067 2.010 -4.910 54 HA ARG 6 HA ARG 6 10.300 4.667 -5.579 55 HB2 ARG 6 2HB ARG 6 11.837 3.731 -4.018 56 HB3 ARG 6 3HB ARG 6 12.422 2.561 -5.193 57 HG2 ARG 6 2HG ARG 6 14.003 4.406 -4.771 58 HG3 ARG 6 3HG ARG 6 13.504 4.288 -6.459 59 HD2 ARG 6 2HD ARG 6 13.547 6.612 -5.663 60 HD3 ARG 6 3HD ARG 6 11.930 6.105 -6.152 61 HE ARG 6 HE ARG 6 11.915 5.625 -3.505 62 HH11 ARG 6 1HH1 ARG 6 12.831 8.408 -5.385 63 HH12 ARG 6 2HH1 ARG 6 12.393 9.546 -4.155 64 HH21 ARG 6 1HH2 ARG 6 11.334 7.113 -1.877 65 HH22 ARG 6 2HH2 ARG 6 11.542 8.808 -2.159 66 H LYS 7 H LYS 7 12.362 2.276 -7.202 67 HA LYS 7 HA LYS 7 11.562 3.245 -9.817 68 HB2 LYS 7 2HB LYS 7 14.410 3.526 -8.840 69 HB3 LYS 7 3HB LYS 7 13.866 3.814 -10.487 70 HG2 LYS 7 2HG LYS 7 12.477 5.658 -9.726 71 HG3 LYS 7 3HG LYS 7 12.972 5.356 -8.059 72 HD2 LYS 7 2HD LYS 7 14.810 6.125 -10.327 73 HD3 LYS 7 3HD LYS 7 14.224 7.213 -9.066 74 HE2 LYS 7 2HE LYS 7 15.323 4.947 -7.781 75 HE3 LYS 7 3HE LYS 7 16.471 5.451 -9.022 76 HZ1 LYS 7 3HZ LYS 7 15.662 6.807 -6.587 77 HZ2 LYS 7 1HZ LYS 7 15.845 7.799 -7.945 78 HZ3 LYS 7 2HZ LYS 7 17.138 6.849 -7.412 79 H ARG 8 H ARG 8 13.222 1.009 -7.763 80 HA ARG 8 HA ARG 8 14.538 -0.680 -9.442 81 HB2 ARG 8 2HB ARG 8 12.973 -1.087 -6.948 82 HB3 ARG 8 3HB ARG 8 13.412 -2.523 -7.863 83 HG2 ARG 8 2HG ARG 8 15.058 -2.088 -6.155 84 HG3 ARG 8 3HG ARG 8 15.771 -1.857 -7.753 85 HD2 ARG 8 2HD ARG 8 15.785 0.470 -7.538 86 HD3 ARG 8 3HD ARG 8 14.614 0.445 -6.221 87 HE ARG 8 HE ARG 8 16.343 0.187 -4.755 88 HH11 ARG 8 1HH1 ARG 8 17.436 -0.692 -7.941 89 HH12 ARG 8 2HH1 ARG 8 19.088 -0.894 -7.461 90 HH21 ARG 8 1HH2 ARG 8 18.515 -0.075 -4.110 91 HH22 ARG 8 2HH2 ARG 8 19.701 -0.543 -5.281 92 H TYR 9 H TYR 9 11.076 -0.289 -9.128 93 HA TYR 9 HA TYR 9 10.708 -2.249 -11.298 94 HB2 TYR 9 2HB TYR 9 8.997 -1.649 -8.898 95 HB3 TYR 9 3HB TYR 9 8.312 -2.391 -10.340 96 HD1 TYR 9 HD1 TYR 9 11.411 -2.872 -8.293 97 HD2 TYR 9 HD2 TYR 9 8.033 -4.665 -10.156 98 HE1 TYR 9 HE1 TYR 9 12.154 -5.079 -7.502 99 HE2 TYR 9 HE2 TYR 9 8.765 -6.877 -9.369 100 HH TYR 9 HH TYR 9 10.657 -7.464 -7.030 101 H ILE 10 H ILE 10 11.352 0.352 -11.911 102 HA ILE 10 HA ILE 10 9.565 2.325 -12.194 103 HB ILE 10 HB ILE 10 11.449 1.224 -14.260 104 HG12 ILE 10 2HG1 ILE 10 11.849 3.952 -13.375 105 HG13 ILE 10 3HG1 ILE 10 11.743 2.858 -12.000 106 HG21 ILE 10 1HG2 ILE 10 10.990 3.594 -15.314 107 HG22 ILE 10 2HG2 ILE 10 10.000 2.199 -15.737 108 HG23 ILE 10 3HG2 ILE 10 9.413 3.372 -14.558 109 HD11 ILE 10 3HD1 ILE 10 13.408 1.533 -13.749 110 HD12 ILE 10 1HD1 ILE 10 13.872 3.225 -13.927 111 HD13 ILE 10 2HD1 ILE 10 13.900 2.465 -12.335 112 H PHE 11 H PHE 11 9.707 -0.423 -14.467 113 HA PHE 11 HA PHE 11 7.588 0.165 -16.084 114 HB2 PHE 11 2HB PHE 11 7.269 -2.340 -16.288 115 HB3 PHE 11 3HB PHE 11 8.905 -1.757 -16.577 116 HD1 PHE 11 HD2 PHE 11 10.617 -1.994 -14.759 117 HD2 PHE 11 HD1 PHE 11 6.813 -3.896 -14.594 118 HE1 PHE 11 HE2 PHE 11 11.473 -3.551 -13.057 119 HE2 PHE 11 HE1 PHE 11 7.663 -5.456 -12.891 120 HZ PHE 11 HZ PHE 11 9.996 -5.285 -12.122 121 H ILE 12 H ILE 12 7.411 -1.652 -13.026 122 HA ILE 12 HA ILE 12 4.744 -0.606 -12.560 123 HB ILE 12 HB ILE 12 5.281 -3.538 -12.967 124 HG12 ILE 12 2HG1 ILE 12 2.883 -3.015 -14.094 125 HG13 ILE 12 3HG1 ILE 12 3.635 -1.431 -14.246 126 HG21 ILE 12 1HG2 ILE 12 2.736 -3.546 -12.135 127 HG22 ILE 12 2HG2 ILE 12 4.103 -3.823 -11.057 128 HG23 ILE 12 3HG2 ILE 12 3.361 -2.226 -11.147 129 HD11 ILE 12 3HD1 ILE 12 4.104 -2.550 -16.246 130 HD12 ILE 12 1HD1 ILE 12 5.596 -2.632 -15.310 131 HD13 ILE 12 2HD1 ILE 12 4.539 -4.040 -15.410 Start of MODEL 17 1 H1 TYR 1 H TYR 1 1.196 -0.701 0.404 2 HA TYR 1 HA TYR 1 1.297 -0.167 -2.228 3 HB2 TYR 1 2HB TYR 1 2.508 1.682 -2.711 4 HB3 TYR 1 3HB TYR 1 2.038 2.187 -1.092 5 HD1 TYR 1 HD1 TYR 1 4.771 0.875 -3.160 6 HD2 TYR 1 HD2 TYR 1 3.641 2.215 0.717 7 HE1 TYR 1 HE1 TYR 1 7.143 1.018 -2.525 8 HE2 TYR 1 HE2 TYR 1 6.010 2.362 1.363 9 HH TYR 1 HH TYR 1 8.174 1.347 0.664 10 H VAL 2 H VAL 2 3.429 -0.765 -3.298 11 HA VAL 2 HA VAL 2 4.362 -3.184 -2.218 12 HB VAL 2 HB VAL 2 4.402 -2.380 -4.668 13 HG11 VAL 2 1HG1 VAL 2 5.849 -0.812 -5.288 14 HG12 VAL 2 2HG1 VAL 2 6.253 -0.574 -3.586 15 HG13 VAL 2 3HG1 VAL 2 7.191 -1.701 -4.568 16 HG21 VAL 2 3HG2 VAL 2 5.913 -4.302 -3.232 17 HG22 VAL 2 1HG2 VAL 2 5.394 -4.350 -4.917 18 HG23 VAL 2 2HG2 VAL 2 6.949 -3.634 -4.493 19 H LEU 3 H LEU 3 7.203 -2.817 -2.875 20 HA LEU 3 HA LEU 3 8.078 -1.237 -0.552 21 HB2 LEU 3 2HB LEU 3 9.617 -2.923 0.099 22 HB3 LEU 3 3HB LEU 3 8.038 -3.684 -0.085 23 HG LEU 3 HG LEU 3 9.684 -5.177 -0.947 24 HD11 LEU 3 1HD1 LEU 3 8.590 -3.933 -3.436 25 HD12 LEU 3 2HD1 LEU 3 7.509 -4.670 -2.254 26 HD13 LEU 3 3HD1 LEU 3 8.768 -5.638 -3.020 27 HD21 LEU 3 3HD2 LEU 3 11.480 -4.619 -2.214 28 HD22 LEU 3 1HD2 LEU 3 11.231 -3.057 -1.434 29 HD23 LEU 3 2HD2 LEU 3 10.622 -3.334 -3.066 30 H TRP 4 H TRP 4 8.572 -2.233 -3.810 31 HA TRP 4 HA TRP 4 11.011 -0.583 -3.940 32 HB2 TRP 4 2HB TRP 4 11.354 -2.008 -6.127 33 HB3 TRP 4 3HB TRP 4 11.820 -2.655 -4.556 34 HD1 TRP 4 HD1 TRP 4 11.212 -5.130 -4.461 35 HE1 TRP 4 HE1 TRP 4 9.224 -6.580 -5.218 36 HE3 TRP 4 HE3 TRP 4 8.388 -1.519 -6.724 37 HZ2 TRP 4 HZ2 TRP 4 6.783 -6.238 -6.592 38 HZ3 TRP 4 HZ3 TRP 4 6.240 -2.164 -7.736 39 HH2 TRP 4 HH2 TRP 4 5.456 -4.475 -7.671 40 H LYS 5 H LYS 5 8.219 0.272 -4.175 41 HA LYS 5 HA LYS 5 7.538 0.701 -6.887 42 HB2 LYS 5 2HB LYS 5 6.366 1.195 -4.393 43 HB3 LYS 5 3HB LYS 5 6.551 2.781 -5.130 44 HG2 LYS 5 2HG LYS 5 5.422 0.629 -6.820 45 HG3 LYS 5 3HG LYS 5 4.411 1.260 -5.518 46 HD2 LYS 5 2HD LYS 5 5.813 3.103 -7.425 47 HD3 LYS 5 3HD LYS 5 4.263 2.369 -7.840 48 HE2 LYS 5 2HE LYS 5 3.924 3.342 -5.254 49 HE3 LYS 5 3HE LYS 5 4.846 4.593 -6.086 50 HZ1 LYS 5 3HZ LYS 5 2.444 4.908 -6.297 51 HZ2 LYS 5 1HZ LYS 5 2.306 3.411 -7.071 52 HZ3 LYS 5 2HZ LYS 5 3.173 4.665 -7.803 53 H ARG 6 H ARG 6 9.958 2.042 -4.963 54 HA ARG 6 HA ARG 6 10.115 4.693 -5.668 55 HB2 ARG 6 2HB ARG 6 11.683 3.822 -4.102 56 HB3 ARG 6 3HB ARG 6 12.296 2.652 -5.263 57 HG2 ARG 6 2HG ARG 6 13.830 4.542 -4.876 58 HG3 ARG 6 3HG ARG 6 13.322 4.395 -6.560 59 HD2 ARG 6 2HD ARG 6 13.340 6.734 -5.612 60 HD3 ARG 6 3HD ARG 6 11.833 6.220 -6.369 61 HE ARG 6 HE ARG 6 10.797 6.445 -4.347 62 HH11 ARG 6 1HH1 ARG 6 14.234 6.245 -3.830 63 HH12 ARG 6 2HH1 ARG 6 14.130 6.582 -2.134 64 HH21 ARG 6 1HH2 ARG 6 10.647 6.890 -2.115 65 HH22 ARG 6 2HH2 ARG 6 12.089 6.948 -1.159 66 H LYS 7 H LYS 7 12.230 2.334 -7.272 67 HA LYS 7 HA LYS 7 11.396 3.248 -9.895 68 HB2 LYS 7 2HB LYS 7 14.237 3.630 -8.932 69 HB3 LYS 7 3HB LYS 7 13.680 3.876 -10.582 70 HG2 LYS 7 2HG LYS 7 12.228 5.684 -9.835 71 HG3 LYS 7 3HG LYS 7 12.758 5.429 -8.171 72 HD2 LYS 7 2HD LYS 7 14.647 6.089 -10.422 73 HD3 LYS 7 3HD LYS 7 13.889 7.317 -9.405 74 HE2 LYS 7 2HE LYS 7 15.244 5.085 -8.015 75 HE3 LYS 7 3HE LYS 7 16.280 6.229 -8.867 76 HZ1 LYS 7 3HZ LYS 7 15.133 6.539 -6.367 77 HZ2 LYS 7 1HZ LYS 7 14.316 7.617 -7.383 78 HZ3 LYS 7 2HZ LYS 7 16.000 7.694 -7.248 79 H ARG 8 H ARG 8 13.137 1.094 -7.821 80 HA ARG 8 HA ARG 8 14.495 -0.577 -9.484 81 HB2 ARG 8 2HB ARG 8 12.960 -0.996 -6.974 82 HB3 ARG 8 3HB ARG 8 13.429 -2.432 -7.873 83 HG2 ARG 8 2HG ARG 8 15.077 -1.928 -6.184 84 HG3 ARG 8 3HG ARG 8 15.771 -1.704 -7.791 85 HD2 ARG 8 2HD ARG 8 15.735 0.623 -7.611 86 HD3 ARG 8 3HD ARG 8 14.564 0.595 -6.294 87 HE ARG 8 HE ARG 8 16.287 0.317 -4.807 88 HH11 ARG 8 1HH1 ARG 8 17.442 -0.272 -8.038 89 HH12 ARG 8 2HH1 ARG 8 19.108 -0.349 -7.568 90 HH21 ARG 8 1HH2 ARG 8 18.477 0.217 -4.176 91 HH22 ARG 8 2HH2 ARG 8 19.695 -0.071 -5.371 92 H TYR 9 H TYR 9 11.023 -0.294 -9.150 93 HA TYR 9 HA TYR 9 10.705 -2.288 -11.297 94 HB2 TYR 9 2HB TYR 9 8.980 -1.716 -8.898 95 HB3 TYR 9 3HB TYR 9 8.329 -2.516 -10.324 96 HD1 TYR 9 HD1 TYR 9 11.438 -2.819 -8.257 97 HD2 TYR 9 HD2 TYR 9 8.156 -4.798 -10.105 98 HE1 TYR 9 HE1 TYR 9 12.274 -4.975 -7.420 99 HE2 TYR 9 HE2 TYR 9 8.982 -6.959 -9.272 100 HH TYR 9 HH TYR 9 10.500 -7.685 -7.227 101 H ILE 10 H ILE 10 11.256 0.323 -11.945 102 HA ILE 10 HA ILE 10 9.397 2.231 -12.231 103 HB ILE 10 HB ILE 10 11.310 1.181 -14.297 104 HG12 ILE 10 2HG1 ILE 10 11.609 3.931 -13.434 105 HG13 ILE 10 3HG1 ILE 10 11.559 2.841 -12.053 106 HG21 ILE 10 1HG2 ILE 10 9.228 3.298 -14.592 107 HG22 ILE 10 2HG2 ILE 10 10.779 3.483 -15.408 108 HG23 ILE 10 3HG2 ILE 10 9.766 2.080 -15.749 109 HD11 ILE 10 3HD1 ILE 10 13.292 1.480 -13.466 110 HD12 ILE 10 1HD1 ILE 10 13.556 3.040 -14.243 111 HD13 ILE 10 2HD1 ILE 10 13.794 2.869 -12.503 112 H PHE 11 H PHE 11 9.624 -0.539 -14.468 113 HA PHE 11 HA PHE 11 7.492 -0.051 -16.096 114 HB2 PHE 11 2HB PHE 11 7.232 -2.575 -16.223 115 HB3 PHE 11 3HB PHE 11 8.845 -1.950 -16.551 116 HD1 PHE 11 HD2 PHE 11 10.594 -2.097 -14.768 117 HD2 PHE 11 HD1 PHE 11 6.839 -4.077 -14.461 118 HE1 PHE 11 HE2 PHE 11 11.520 -3.576 -13.034 119 HE2 PHE 11 HE1 PHE 11 7.759 -5.559 -12.725 120 HZ PHE 11 HZ PHE 11 10.102 -5.310 -12.011 121 H ILE 12 H ILE 12 7.351 -1.800 -12.997 122 HA ILE 12 HA ILE 12 4.660 -0.806 -12.560 123 HB ILE 12 HB ILE 12 5.264 -3.736 -12.886 124 HG12 ILE 12 2HG1 ILE 12 2.872 -3.294 -14.060 125 HG13 ILE 12 3HG1 ILE 12 3.596 -1.701 -14.249 126 HG21 ILE 12 1HG2 ILE 12 3.278 -2.407 -11.144 127 HG22 ILE 12 2HG2 ILE 12 2.716 -3.786 -12.087 128 HG23 ILE 12 3HG2 ILE 12 4.070 -3.973 -10.973 129 HD11 ILE 12 3HD1 ILE 12 4.112 -2.872 -16.209 130 HD12 ILE 12 1HD1 ILE 12 5.593 -2.893 -15.252 131 HD13 ILE 12 2HD1 ILE 12 4.567 -4.326 -15.320 Start of MODEL 18 1 H1 TYR 1 H TYR 1 1.739 0.407 0.857 2 HA TYR 1 HA TYR 1 1.407 -0.135 -2.014 3 HB2 TYR 1 2HB TYR 1 2.657 1.696 -2.465 4 HB3 TYR 1 3HB TYR 1 2.225 2.168 -0.826 5 HD1 TYR 1 HD2 TYR 1 4.892 0.845 -2.971 6 HD2 TYR 1 HD1 TYR 1 3.855 2.109 0.957 7 HE1 TYR 1 HE2 TYR 1 7.276 0.910 -2.368 8 HE2 TYR 1 HE1 TYR 1 6.236 2.179 1.570 9 HH TYR 1 HH TYR 1 8.692 2.204 -0.597 10 H VAL 2 H VAL 2 3.507 -0.757 -3.132 11 HA VAL 2 HA VAL 2 4.394 -3.227 -2.132 12 HB VAL 2 HB VAL 2 4.419 -2.358 -4.560 13 HG11 VAL 2 1HG1 VAL 2 5.896 -0.810 -5.159 14 HG12 VAL 2 2HG1 VAL 2 6.331 -0.630 -3.458 15 HG13 VAL 2 3HG1 VAL 2 7.225 -1.752 -4.484 16 HG21 VAL 2 3HG2 VAL 2 5.900 -4.356 -3.199 17 HG22 VAL 2 1HG2 VAL 2 5.356 -4.345 -4.877 18 HG23 VAL 2 2HG2 VAL 2 6.935 -3.680 -4.458 19 H LEU 3 H LEU 3 7.233 -2.914 -2.823 20 HA LEU 3 HA LEU 3 8.182 -1.420 -0.472 21 HB2 LEU 3 2HB LEU 3 9.687 -3.162 0.110 22 HB3 LEU 3 3HB LEU 3 8.087 -3.878 -0.069 23 HG LEU 3 HG LEU 3 9.681 -5.388 -0.997 24 HD11 LEU 3 1HD1 LEU 3 7.500 -4.791 -2.256 25 HD12 LEU 3 2HD1 LEU 3 8.723 -5.768 -3.068 26 HD13 LEU 3 3HD1 LEU 3 8.583 -4.049 -3.435 27 HD21 LEU 3 3HD2 LEU 3 11.471 -4.842 -2.277 28 HD22 LEU 3 1HD2 LEU 3 11.275 -3.296 -1.451 29 HD23 LEU 3 2HD2 LEU 3 10.634 -3.512 -3.080 30 H TRP 4 H TRP 4 8.602 -2.339 -3.763 31 HA TRP 4 HA TRP 4 11.081 -0.748 -3.885 32 HB2 TRP 4 2HB TRP 4 11.355 -2.121 -6.115 33 HB3 TRP 4 3HB TRP 4 11.828 -2.823 -4.570 34 HD1 TRP 4 HD1 TRP 4 11.157 -5.283 -4.532 35 HE1 TRP 4 HE1 TRP 4 9.123 -6.661 -5.297 36 HE3 TRP 4 HE3 TRP 4 8.394 -1.541 -6.654 37 HZ2 TRP 4 HZ2 TRP 4 6.671 -6.221 -6.624 38 HZ3 TRP 4 HZ3 TRP 4 6.216 -2.104 -7.649 39 HH2 TRP 4 HH2 TRP 4 5.374 -4.395 -7.635 40 H LYS 5 H LYS 5 8.309 0.183 -4.055 41 HA LYS 5 HA LYS 5 7.599 0.703 -6.743 42 HB2 LYS 5 2HB LYS 5 6.477 1.158 -4.219 43 HB3 LYS 5 3HB LYS 5 6.693 2.759 -4.915 44 HG2 LYS 5 2HG LYS 5 5.603 1.048 -6.909 45 HG3 LYS 5 3HG LYS 5 4.653 0.876 -5.432 46 HD2 LYS 5 2HD LYS 5 3.585 2.677 -6.329 47 HD3 LYS 5 3HD LYS 5 4.861 3.527 -5.454 48 HE2 LYS 5 2HE LYS 5 5.445 4.465 -7.384 49 HE3 LYS 5 3HE LYS 5 5.984 2.875 -7.921 50 HZ1 LYS 5 3HZ LYS 5 3.838 4.415 -8.884 51 HZ2 LYS 5 1HZ LYS 5 3.222 2.973 -8.249 52 HZ3 LYS 5 2HZ LYS 5 4.408 2.928 -9.454 53 H ARG 6 H ARG 6 10.081 1.929 -4.821 54 HA ARG 6 HA ARG 6 10.296 4.594 -5.457 55 HB2 ARG 6 2HB ARG 6 11.864 3.641 -3.939 56 HB3 ARG 6 3HB ARG 6 12.429 2.487 -5.141 57 HG2 ARG 6 2HG ARG 6 14.017 4.327 -4.726 58 HG3 ARG 6 3HG ARG 6 13.481 4.238 -6.405 59 HD2 ARG 6 2HD ARG 6 13.572 6.550 -5.396 60 HD3 ARG 6 3HD ARG 6 12.042 6.095 -6.144 61 HE ARG 6 HE ARG 6 12.169 5.584 -3.312 62 HH11 ARG 6 1HH1 ARG 6 11.412 7.913 -5.787 63 HH12 ARG 6 2HH1 ARG 6 10.344 8.832 -4.779 64 HH21 ARG 6 1HH2 ARG 6 10.766 6.786 -1.975 65 HH22 ARG 6 2HH2 ARG 6 9.978 8.190 -2.610 66 H LYS 7 H LYS 7 12.325 2.226 -7.156 67 HA LYS 7 HA LYS 7 11.477 3.233 -9.740 68 HB2 LYS 7 2HB LYS 7 14.341 3.517 -8.812 69 HB3 LYS 7 3HB LYS 7 13.766 3.822 -10.445 70 HG2 LYS 7 2HG LYS 7 12.372 5.644 -9.627 71 HG3 LYS 7 3HG LYS 7 12.920 5.330 -7.979 72 HD2 LYS 7 2HD LYS 7 14.792 6.005 -10.240 73 HD3 LYS 7 3HD LYS 7 14.081 7.223 -9.179 74 HE2 LYS 7 2HE LYS 7 15.397 4.920 -7.870 75 HE3 LYS 7 3HE LYS 7 16.450 6.059 -8.707 76 HZ1 LYS 7 3HZ LYS 7 14.501 7.391 -7.106 77 HZ2 LYS 7 1HZ LYS 7 16.186 7.547 -7.099 78 HZ3 LYS 7 2HZ LYS 7 15.445 6.336 -6.179 79 H ARG 8 H ARG 8 13.192 0.979 -7.752 80 HA ARG 8 HA ARG 8 14.482 -0.679 -9.480 81 HB2 ARG 8 2HB ARG 8 12.975 -1.127 -6.959 82 HB3 ARG 8 3HB ARG 8 13.393 -2.550 -7.903 83 HG2 ARG 8 2HG ARG 8 15.078 -2.136 -6.228 84 HG3 ARG 8 3HG ARG 8 15.754 -1.882 -7.839 85 HD2 ARG 8 2HD ARG 8 15.782 0.437 -7.591 86 HD3 ARG 8 3HD ARG 8 14.626 0.402 -6.260 87 HE ARG 8 HE ARG 8 16.361 0.052 -4.805 88 HH11 ARG 8 1HH1 ARG 8 17.456 -0.527 -8.058 89 HH12 ARG 8 2HH1 ARG 8 19.123 -0.673 -7.610 90 HH21 ARG 8 1HH2 ARG 8 18.552 -0.138 -4.202 91 HH22 ARG 8 2HH2 ARG 8 19.746 -0.452 -5.416 92 H TYR 9 H TYR 9 11.024 -0.318 -9.086 93 HA TYR 9 HA TYR 9 10.624 -2.244 -11.281 94 HB2 TYR 9 2HB TYR 9 8.950 -1.694 -8.841 95 HB3 TYR 9 3HB TYR 9 8.257 -2.439 -10.278 96 HD1 TYR 9 HD1 TYR 9 11.387 -2.875 -8.267 97 HD2 TYR 9 HD2 TYR 9 8.029 -4.720 -10.117 98 HE1 TYR 9 HE1 TYR 9 12.180 -5.074 -7.501 99 HE2 TYR 9 HE2 TYR 9 8.812 -6.923 -9.356 100 HH TYR 9 HH TYR 9 11.704 -7.247 -7.330 101 H ILE 10 H ILE 10 11.232 0.370 -11.866 102 HA ILE 10 HA ILE 10 9.419 2.331 -12.073 103 HB ILE 10 HB ILE 10 11.274 1.290 -14.195 104 HG12 ILE 10 2HG1 ILE 10 11.656 4.006 -13.264 105 HG13 ILE 10 3HG1 ILE 10 11.598 2.881 -11.911 106 HG21 ILE 10 1HG2 ILE 10 9.809 2.277 -15.637 107 HG22 ILE 10 2HG2 ILE 10 9.193 3.395 -14.421 108 HG23 ILE 10 3HG2 ILE 10 10.758 3.690 -15.177 109 HD11 ILE 10 3HD1 ILE 10 13.283 1.509 -13.331 110 HD12 ILE 10 1HD1 ILE 10 13.550 3.045 -14.155 111 HD13 ILE 10 2HD1 ILE 10 13.835 2.913 -12.419 112 H PHE 11 H PHE 11 9.541 -0.383 -14.386 113 HA PHE 11 HA PHE 11 7.400 0.204 -15.967 114 HB2 PHE 11 2HB PHE 11 7.073 -2.308 -16.158 115 HB3 PHE 11 3HB PHE 11 8.696 -1.716 -16.494 116 HD1 PHE 11 HD2 PHE 11 10.467 -1.955 -14.743 117 HD2 PHE 11 HD1 PHE 11 6.667 -3.847 -14.431 118 HE1 PHE 11 HE2 PHE 11 11.380 -3.504 -13.064 119 HE2 PHE 11 HE1 PHE 11 7.574 -5.399 -12.750 120 HZ PHE 11 HZ PHE 11 9.933 -5.229 -12.065 121 H ILE 12 H ILE 12 7.259 -1.625 -12.914 122 HA ILE 12 HA ILE 12 4.600 -0.575 -12.409 123 HB ILE 12 HB ILE 12 5.124 -3.510 -12.823 124 HG12 ILE 12 2HG1 ILE 12 2.728 -2.976 -13.949 125 HG13 ILE 12 3HG1 ILE 12 3.490 -1.397 -14.106 126 HG21 ILE 12 1HG2 ILE 12 2.567 -3.472 -11.990 127 HG22 ILE 12 2HG2 ILE 12 3.935 -3.808 -10.930 128 HG23 ILE 12 3HG2 ILE 12 3.239 -2.188 -10.984 129 HD11 ILE 12 3HD1 ILE 12 3.947 -2.528 -16.104 130 HD12 ILE 12 1HD1 ILE 12 5.441 -2.611 -15.171 131 HD13 ILE 12 2HD1 ILE 12 4.377 -4.016 -15.261 Start of MODEL 19 1 H1 TYR 1 H TYR 1 1.948 0.486 0.729 2 HA TYR 1 HA TYR 1 1.522 0.088 -2.155 3 HB2 TYR 1 2HB TYR 1 2.682 1.939 -2.744 4 HB3 TYR 1 3HB TYR 1 2.251 2.497 -1.132 5 HD1 TYR 1 HD2 TYR 1 4.945 1.157 -3.232 6 HD2 TYR 1 HD1 TYR 1 3.907 2.627 0.624 7 HE1 TYR 1 HE2 TYR 1 7.332 1.366 -2.676 8 HE2 TYR 1 HE1 TYR 1 6.291 2.841 1.190 9 HH TYR 1 HH TYR 1 8.756 1.443 -0.671 10 H VAL 2 H VAL 2 3.633 -0.512 -3.266 11 HA VAL 2 HA VAL 2 4.645 -2.870 -2.123 12 HB VAL 2 HB VAL 2 4.595 -2.162 -4.602 13 HG11 VAL 2 1HG1 VAL 2 7.372 -1.428 -4.612 14 HG12 VAL 2 2HG1 VAL 2 5.991 -0.592 -5.325 15 HG13 VAL 2 3HG1 VAL 2 6.441 -0.282 -3.648 16 HG21 VAL 2 3HG2 VAL 2 6.187 -3.998 -3.140 17 HG22 VAL 2 1HG2 VAL 2 5.617 -4.122 -4.804 18 HG23 VAL 2 2HG2 VAL 2 7.170 -3.361 -4.458 19 H LEU 3 H LEU 3 7.456 -2.476 -2.881 20 HA LEU 3 HA LEU 3 8.370 -0.792 -0.648 21 HB2 LEU 3 2HB LEU 3 9.961 -2.423 0.019 22 HB3 LEU 3 3HB LEU 3 8.393 -3.220 -0.087 23 HG LEU 3 HG LEU 3 10.042 -4.714 -0.943 24 HD11 LEU 3 1HD1 LEU 3 7.818 -4.299 -2.200 25 HD12 LEU 3 2HD1 LEU 3 9.073 -5.271 -2.968 26 HD13 LEU 3 3HD1 LEU 3 8.848 -3.587 -3.443 27 HD21 LEU 3 3HD2 LEU 3 11.787 -4.171 -2.284 28 HD22 LEU 3 1HD2 LEU 3 11.530 -2.585 -1.558 29 HD23 LEU 3 2HD2 LEU 3 10.878 -2.937 -3.159 30 H TRP 4 H TRP 4 8.785 -1.903 -3.880 31 HA TRP 4 HA TRP 4 11.186 -0.214 -4.148 32 HB2 TRP 4 2HB TRP 4 11.490 -1.716 -6.288 33 HB3 TRP 4 3HB TRP 4 12.017 -2.293 -4.710 34 HD1 TRP 4 HD1 TRP 4 11.461 -4.774 -4.503 35 HE1 TRP 4 HE1 TRP 4 9.480 -6.288 -5.142 36 HE3 TRP 4 HE3 TRP 4 8.498 -1.305 -6.810 37 HZ2 TRP 4 HZ2 TRP 4 6.991 -6.045 -6.451 38 HZ3 TRP 4 HZ3 TRP 4 6.332 -2.027 -7.729 39 HH2 TRP 4 HH2 TRP 4 5.597 -4.349 -7.553 40 H LYS 5 H LYS 5 8.374 0.581 -4.328 41 HA LYS 5 HA LYS 5 7.604 0.893 -7.033 42 HB2 LYS 5 2HB LYS 5 6.494 1.456 -4.524 43 HB3 LYS 5 3HB LYS 5 6.624 3.017 -5.325 44 HG2 LYS 5 2HG LYS 5 5.445 0.706 -6.796 45 HG3 LYS 5 3HG LYS 5 4.478 1.571 -5.599 46 HD2 LYS 5 2HD LYS 5 5.422 3.669 -6.939 47 HD3 LYS 5 3HD LYS 5 5.507 2.473 -8.234 48 HE2 LYS 5 2HE LYS 5 3.039 3.006 -6.588 49 HE3 LYS 5 3HE LYS 5 3.369 3.772 -8.141 50 HZ1 LYS 5 3HZ LYS 5 2.371 1.154 -7.590 51 HZ2 LYS 5 1HZ LYS 5 3.719 1.105 -8.610 52 HZ3 LYS 5 2HZ LYS 5 2.366 2.023 -9.041 53 H ARG 6 H ARG 6 10.054 2.346 -5.237 54 HA ARG 6 HA ARG 6 10.138 4.975 -6.032 55 HB2 ARG 6 2HB ARG 6 12.498 3.094 -5.849 56 HB3 ARG 6 3HB ARG 6 12.570 4.849 -5.782 57 HG2 ARG 6 2HG ARG 6 10.737 3.857 -3.807 58 HG3 ARG 6 3HG ARG 6 12.308 3.068 -3.647 59 HD2 ARG 6 2HD ARG 6 13.108 5.606 -4.001 60 HD3 ARG 6 3HD ARG 6 11.545 5.893 -3.238 61 HE ARG 6 HE ARG 6 12.411 5.127 -1.264 62 HH11 ARG 6 1HH1 ARG 6 14.500 4.158 -3.874 63 HH12 ARG 6 2HH1 ARG 6 15.742 3.553 -2.828 64 HH21 ARG 6 1HH2 ARG 6 14.038 4.334 0.123 65 HH22 ARG 6 2HH2 ARG 6 15.478 3.652 -0.555 66 H LYS 7 H LYS 7 12.194 2.565 -7.646 67 HA LYS 7 HA LYS 7 11.262 3.385 -10.260 68 HB2 LYS 7 2HB LYS 7 13.990 4.090 -9.217 69 HB3 LYS 7 3HB LYS 7 13.725 3.832 -10.936 70 HG2 LYS 7 2HG LYS 7 13.258 6.011 -10.997 71 HG3 LYS 7 3HG LYS 7 11.700 5.550 -10.306 72 HD2 LYS 7 2HD LYS 7 12.614 7.343 -8.997 73 HD3 LYS 7 3HD LYS 7 12.685 5.862 -8.040 74 HE2 LYS 7 2HE LYS 7 15.018 5.623 -8.439 75 HE3 LYS 7 3HE LYS 7 15.002 6.889 -9.665 76 HZ1 LYS 7 3HZ LYS 7 14.377 8.466 -7.880 77 HZ2 LYS 7 1HZ LYS 7 15.908 7.777 -7.663 78 HZ3 LYS 7 2HZ LYS 7 14.596 7.231 -6.745 79 H ARG 8 H ARG 8 13.140 1.351 -8.182 80 HA ARG 8 HA ARG 8 14.474 -0.345 -9.839 81 HB2 ARG 8 2HB ARG 8 12.998 -0.768 -7.278 82 HB3 ARG 8 3HB ARG 8 13.604 -2.177 -8.139 83 HG2 ARG 8 2HG ARG 8 15.305 -1.668 -6.647 84 HG3 ARG 8 3HG ARG 8 15.855 -0.948 -8.161 85 HD2 ARG 8 2HD ARG 8 15.201 1.231 -7.452 86 HD3 ARG 8 3HD ARG 8 14.358 0.583 -6.045 87 HE ARG 8 HE ARG 8 17.160 1.129 -6.278 88 HH11 ARG 8 1HH1 ARG 8 14.777 -0.845 -4.682 89 HH12 ARG 8 2HH1 ARG 8 15.768 -1.149 -3.294 90 HH21 ARG 8 1HH2 ARG 8 18.475 0.736 -4.456 91 HH22 ARG 8 2HH2 ARG 8 17.871 -0.248 -3.166 92 H TYR 9 H TYR 9 11.013 -0.130 -9.381 93 HA TYR 9 HA TYR 9 10.662 -2.216 -11.434 94 HB2 TYR 9 2HB TYR 9 9.012 -1.582 -8.998 95 HB3 TYR 9 3HB TYR 9 8.330 -2.458 -10.364 96 HD1 TYR 9 HD1 TYR 9 11.515 -2.598 -8.398 97 HD2 TYR 9 HD2 TYR 9 8.223 -4.731 -10.046 98 HE1 TYR 9 HE1 TYR 9 12.434 -4.696 -7.503 99 HE2 TYR 9 HE2 TYR 9 9.132 -6.835 -9.154 100 HH TYR 9 HH TYR 9 10.632 -7.685 -7.610 101 H ILE 10 H ILE 10 11.128 0.382 -12.201 102 HA ILE 10 HA ILE 10 9.219 2.236 -12.495 103 HB ILE 10 HB ILE 10 11.072 1.140 -14.591 104 HG12 ILE 10 2HG1 ILE 10 11.353 3.926 -13.857 105 HG13 ILE 10 3HG1 ILE 10 11.369 2.899 -12.427 106 HG21 ILE 10 1HG2 ILE 10 8.930 3.193 -14.888 107 HG22 ILE 10 2HG2 ILE 10 10.447 3.393 -15.763 108 HG23 ILE 10 3HG2 ILE 10 9.464 1.952 -16.020 109 HD11 ILE 10 3HD1 ILE 10 13.557 2.756 -12.874 110 HD12 ILE 10 1HD1 ILE 10 13.046 1.532 -14.037 111 HD13 ILE 10 2HD1 ILE 10 13.347 3.186 -14.571 112 H PHE 11 H PHE 11 9.421 -0.611 -14.636 113 HA PHE 11 HA PHE 11 7.204 -0.225 -16.181 114 HB2 PHE 11 2HB PHE 11 7.022 -2.751 -16.249 115 HB3 PHE 11 3HB PHE 11 8.607 -2.092 -16.643 116 HD1 PHE 11 HD2 PHE 11 10.409 -2.141 -14.899 117 HD2 PHE 11 HD1 PHE 11 6.733 -4.241 -14.462 118 HE1 PHE 11 HE2 PHE 11 11.429 -3.559 -13.167 119 HE2 PHE 11 HE1 PHE 11 7.747 -5.662 -12.728 120 HZ PHE 11 HZ PHE 11 10.099 -5.323 -12.080 121 H ILE 12 H ILE 12 7.266 -1.892 -13.035 122 HA ILE 12 HA ILE 12 4.566 -0.974 -12.496 123 HB ILE 12 HB ILE 12 5.254 -3.889 -12.787 124 HG12 ILE 12 2HG1 ILE 12 2.783 -3.559 -13.825 125 HG13 ILE 12 3HG1 ILE 12 3.434 -1.945 -14.087 126 HG21 ILE 12 1HG2 ILE 12 2.839 -4.136 -11.818 127 HG22 ILE 12 2HG2 ILE 12 4.224 -4.006 -10.735 128 HG23 ILE 12 3HG2 ILE 12 3.210 -2.596 -11.042 129 HD11 ILE 12 3HD1 ILE 12 3.881 -3.132 -16.051 130 HD12 ILE 12 1HD1 ILE 12 5.414 -3.087 -15.181 131 HD13 ILE 12 2HD1 ILE 12 4.435 -4.554 -15.167 Start of MODEL 20 1 H1 TYR 1 H TYR 1 1.206 -0.216 0.461 2 HA TYR 1 HA TYR 1 0.982 0.060 -2.413 3 HB2 TYR 1 2HB TYR 1 2.330 1.852 -2.737 4 HB3 TYR 1 3HB TYR 1 1.826 2.278 -1.106 5 HD1 TYR 1 HD1 TYR 1 4.558 0.928 -3.154 6 HD2 TYR 1 HD2 TYR 1 3.357 2.105 0.754 7 HE1 TYR 1 HE1 TYR 1 6.907 0.886 -2.426 8 HE2 TYR 1 HE2 TYR 1 5.702 2.067 1.493 9 HH TYR 1 HH TYR 1 8.325 1.737 -0.732 10 H VAL 2 H VAL 2 3.116 -0.575 -3.476 11 HA VAL 2 HA VAL 2 3.866 -3.127 -2.580 12 HB VAL 2 HB VAL 2 4.045 -2.123 -4.948 13 HG11 VAL 2 1HG1 VAL 2 5.594 -0.588 -5.369 14 HG12 VAL 2 2HG1 VAL 2 5.974 -0.547 -3.646 15 HG13 VAL 2 3HG1 VAL 2 6.859 -1.631 -4.721 16 HG21 VAL 2 3HG2 VAL 2 5.384 -4.250 -3.637 17 HG22 VAL 2 1HG2 VAL 2 4.927 -4.122 -5.336 18 HG23 VAL 2 2HG2 VAL 2 6.505 -3.544 -4.801 19 H LEU 3 H LEU 3 6.745 -2.887 -3.111 20 HA LEU 3 HA LEU 3 7.627 -1.566 -0.633 21 HB2 LEU 3 2HB LEU 3 9.032 -3.396 -0.078 22 HB3 LEU 3 3HB LEU 3 7.419 -4.037 -0.379 23 HG LEU 3 HG LEU 3 9.003 -5.555 -1.311 24 HD11 LEU 3 1HD1 LEU 3 8.085 -4.037 -3.718 25 HD12 LEU 3 2HD1 LEU 3 6.916 -4.803 -2.643 26 HD13 LEU 3 3HD1 LEU 3 8.145 -5.779 -3.447 27 HD21 LEU 3 3HD2 LEU 3 10.698 -3.511 -1.557 28 HD22 LEU 3 1HD2 LEU 3 10.134 -3.601 -3.226 29 HD23 LEU 3 2HD2 LEU 3 10.876 -5.011 -2.469 30 H TRP 4 H TRP 4 8.173 -2.303 -3.948 31 HA TRP 4 HA TRP 4 10.711 -0.807 -3.857 32 HB2 TRP 4 2HB TRP 4 11.063 -2.072 -6.137 33 HB3 TRP 4 3HB TRP 4 11.423 -2.871 -4.609 34 HD1 TRP 4 HD1 TRP 4 10.675 -5.305 -4.757 35 HE1 TRP 4 HE1 TRP 4 8.638 -6.563 -5.702 36 HE3 TRP 4 HE3 TRP 4 8.150 -1.351 -6.787 37 HZ2 TRP 4 HZ2 TRP 4 6.274 -5.959 -7.120 38 HZ3 TRP 4 HZ3 TRP 4 6.008 -1.777 -7.921 39 HH2 TRP 4 HH2 TRP 4 5.091 -4.034 -8.084 40 H LYS 5 H LYS 5 7.992 0.239 -4.115 41 HA LYS 5 HA LYS 5 7.433 0.915 -6.804 42 HB2 LYS 5 2HB LYS 5 6.182 1.261 -4.343 43 HB3 LYS 5 3HB LYS 5 6.537 2.900 -4.874 44 HG2 LYS 5 2HG LYS 5 5.289 2.613 -6.873 45 HG3 LYS 5 3HG LYS 5 5.133 0.876 -6.599 46 HD2 LYS 5 2HD LYS 5 3.585 1.161 -4.887 47 HD3 LYS 5 3HD LYS 5 4.067 2.833 -4.597 48 HE2 LYS 5 2HE LYS 5 2.646 3.624 -6.135 49 HE3 LYS 5 3HE LYS 5 3.065 2.367 -7.297 50 HZ1 LYS 5 3HZ LYS 5 1.008 1.634 -6.882 51 HZ2 LYS 5 1HZ LYS 5 0.870 2.489 -5.428 52 HZ3 LYS 5 2HZ LYS 5 1.664 0.996 -5.459 53 H ARG 6 H ARG 6 9.878 1.933 -4.729 54 HA ARG 6 HA ARG 6 10.227 4.616 -5.201 55 HB2 ARG 6 2HB ARG 6 11.693 3.481 -3.692 56 HB3 ARG 6 3HB ARG 6 12.275 2.414 -4.962 57 HG2 ARG 6 2HG ARG 6 13.906 4.144 -4.362 58 HG3 ARG 6 3HG ARG 6 13.397 4.256 -6.049 59 HD2 ARG 6 2HD ARG 6 12.401 6.257 -5.751 60 HD3 ARG 6 3HD ARG 6 11.807 5.836 -4.145 61 HE ARG 6 HE ARG 6 14.240 7.213 -4.782 62 HH11 ARG 6 1HH1 ARG 6 12.644 5.187 -2.445 63 HH12 ARG 6 2HH1 ARG 6 13.629 5.715 -1.121 64 HH21 ARG 6 1HH2 ARG 6 15.544 7.917 -3.048 65 HH22 ARG 6 2HH2 ARG 6 15.277 7.268 -1.465 66 H LYS 7 H LYS 7 12.203 2.257 -6.974 67 HA LYS 7 HA LYS 7 11.458 3.346 -9.534 68 HB2 LYS 7 2HB LYS 7 13.468 4.685 -8.215 69 HB3 LYS 7 3HB LYS 7 14.364 3.549 -9.215 70 HG2 LYS 7 2HG LYS 7 13.320 4.395 -11.206 71 HG3 LYS 7 3HG LYS 7 12.262 5.438 -10.253 72 HD2 LYS 7 2HD LYS 7 14.099 6.726 -11.182 73 HD3 LYS 7 3HD LYS 7 14.236 6.651 -9.423 74 HE2 LYS 7 2HE LYS 7 15.854 4.789 -9.681 75 HE3 LYS 7 3HE LYS 7 15.772 5.003 -11.429 76 HZ1 LYS 7 3HZ LYS 7 17.238 6.641 -11.304 77 HZ2 LYS 7 1HZ LYS 7 17.429 6.324 -9.653 78 HZ3 LYS 7 2HZ LYS 7 16.304 7.477 -10.168 79 H ARG 8 H ARG 8 13.290 1.162 -7.554 80 HA ARG 8 HA ARG 8 14.700 -0.367 -9.314 81 HB2 ARG 8 2HB ARG 8 13.256 -0.943 -6.788 82 HB3 ARG 8 3HB ARG 8 13.722 -2.333 -7.760 83 HG2 ARG 8 2HG ARG 8 15.387 -1.772 -6.048 84 HG3 ARG 8 3HG ARG 8 16.038 -1.662 -7.684 85 HD2 ARG 8 2HD ARG 8 15.697 0.773 -7.634 86 HD3 ARG 8 3HD ARG 8 15.096 0.642 -5.981 87 HE ARG 8 HE ARG 8 17.575 -0.526 -5.937 88 HH11 ARG 8 1HH1 ARG 8 16.300 2.594 -6.809 89 HH12 ARG 8 2HH1 ARG 8 17.742 3.450 -6.374 90 HH21 ARG 8 1HH2 ARG 8 19.480 0.590 -5.361 91 HH22 ARG 8 2HH2 ARG 8 19.550 2.309 -5.551 92 H TYR 9 H TYR 9 11.232 -0.214 -8.951 93 HA TYR 9 HA TYR 9 10.960 -2.173 -11.137 94 HB2 TYR 9 2HB TYR 9 9.235 -1.686 -8.721 95 HB3 TYR 9 3HB TYR 9 8.583 -2.456 -10.163 96 HD1 TYR 9 HD1 TYR 9 11.719 -2.773 -8.140 97 HD2 TYR 9 HD2 TYR 9 8.434 -4.743 -9.992 98 HE1 TYR 9 HE1 TYR 9 12.591 -4.940 -7.368 99 HE2 TYR 9 HE2 TYR 9 9.295 -6.915 -9.224 100 HH TYR 9 HH TYR 9 10.750 -7.824 -7.530 101 H ILE 10 H ILE 10 11.453 0.454 -11.750 102 HA ILE 10 HA ILE 10 9.570 2.336 -12.003 103 HB ILE 10 HB ILE 10 11.457 1.327 -14.114 104 HG12 ILE 10 2HG1 ILE 10 11.804 4.052 -13.245 105 HG13 ILE 10 3HG1 ILE 10 11.709 2.987 -11.847 106 HG21 ILE 10 1HG2 ILE 10 9.943 2.259 -15.549 107 HG22 ILE 10 2HG2 ILE 10 9.328 3.389 -14.344 108 HG23 ILE 10 3HG2 ILE 10 10.879 3.692 -15.126 109 HD11 ILE 10 3HD1 ILE 10 13.885 2.671 -12.169 110 HD12 ILE 10 1HD1 ILE 10 13.404 1.631 -13.510 111 HD13 ILE 10 2HD1 ILE 10 13.828 3.317 -13.809 112 H PHE 11 H PHE 11 9.803 -0.401 -14.281 113 HA PHE 11 HA PHE 11 7.630 0.085 -15.859 114 HB2 PHE 11 2HB PHE 11 7.428 -2.434 -16.059 115 HB3 PHE 11 3HB PHE 11 9.027 -1.770 -16.382 116 HD1 PHE 11 HD2 PHE 11 10.788 -1.924 -14.604 117 HD2 PHE 11 HD1 PHE 11 7.084 -4.007 -14.353 118 HE1 PHE 11 HE2 PHE 11 11.756 -3.437 -12.922 119 HE2 PHE 11 HE1 PHE 11 8.046 -5.522 -12.670 120 HZ PHE 11 HZ PHE 11 10.385 -5.239 -11.953 121 H ILE 12 H ILE 12 7.596 -1.741 -12.802 122 HA ILE 12 HA ILE 12 4.890 -0.827 -12.288 123 HB ILE 12 HB ILE 12 5.564 -3.729 -12.704 124 HG12 ILE 12 2HG1 ILE 12 3.124 -3.326 -13.790 125 HG13 ILE 12 3HG1 ILE 12 3.795 -1.707 -13.955 126 HG21 ILE 12 1HG2 ILE 12 4.487 -3.898 -10.666 127 HG22 ILE 12 2HG2 ILE 12 3.451 -2.507 -10.982 128 HG23 ILE 12 3HG2 ILE 12 3.148 -4.037 -11.804 129 HD11 ILE 12 3HD1 ILE 12 4.282 -2.806 -15.963 130 HD12 ILE 12 1HD1 ILE 12 5.793 -2.810 -15.053 131 HD13 ILE 12 2HD1 ILE 12 4.807 -4.270 -15.132