*HEADER DE NOVO PROTEIN, ANTIMICROBIAL PROTEIN 01-DEC-08 SMS20058 *TITLE SOLUTION STRUCTURE OF DESIGNED PEPTIDE, YI12WW IN THE PRESENCE OF *TITLE 2 LIPOPOLYSACCHARIDE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: YI12WW; *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 HE1 9 TRP HE1 3.9 2.0 4 TRP QB 9 TRP QB 3.0 2.0 9 TRP QB 4 TRP HH2 4.3 2.0 9 TRP QB 4 TRP HZ3 3.7 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 3.3 2.0 8 ARG HA 9 TRP H 3.5 2.0 8 ARG H 9 TRP H 2.8 2.0 8 ARG HA 10 ILE H 4.3 2.0 8 ARG QB 9 TRP H 3.0 2.0 9 TRP HA 10 ILE H 3.5 2.0 9 TRP H 10 ILE H 3.2 2.0 9 TRP QB 11 PHE HD2 4.8 2.0 9 TRP 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 3.3 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 TRP QB 4.5 2.0 11 PHE HZ 9 TRP QB 4.4 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 QD1 11 PHE HD2 5.0 2.0 12 ILE HG12 11 PHE HD1 4.0 2.0 5 LYS H 8 ARG H 5.2 2.0 6 ARG H 8 ARG H 3.5 2.0 4 TRP HH2 12 ILE HA 4.2 2.0 11 PHE QB 9 TRP HZ3 4.2 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 1.391 0.027 -2.063 3 HB2 TYR 1 2HB TYR 1 2.925 1.662 -2.305 4 HB3 TYR 1 3HB TYR 1 2.641 1.967 -0.595 5 HD1 TYR 1 HD2 TYR 1 4.951 0.546 -3.054 6 HD2 TYR 1 HD1 TYR 1 4.269 1.297 1.078 7 HE1 TYR 1 HE2 TYR 1 7.320 0.079 -2.584 8 HE2 TYR 1 HE1 TYR 1 6.636 0.833 1.559 9 HH TYR 1 HH TYR 1 8.986 0.487 -0.944 10 H VAL 2 H VAL 2 3.315 -0.864 -3.283 11 HA VAL 2 HA VAL 2 3.748 -3.543 -2.528 12 HB VAL 2 HB VAL 2 3.835 -2.532 -4.880 13 HG11 VAL 2 1HG1 VAL 2 6.013 -1.168 -3.764 14 HG12 VAL 2 2HG1 VAL 2 6.700 -2.327 -4.904 15 HG13 VAL 2 3HG1 VAL 2 5.490 -1.164 -5.448 16 HG21 VAL 2 3HG2 VAL 2 6.136 -4.192 -5.002 17 HG22 VAL 2 1HG2 VAL 2 5.084 -4.805 -3.727 18 HG23 VAL 2 2HG2 VAL 2 4.461 -4.607 -5.365 19 H LEU 3 H LEU 3 6.611 -3.550 -3.398 20 HA LEU 3 HA LEU 3 7.871 -2.525 -0.947 21 HB2 LEU 3 2HB LEU 3 9.072 -4.530 -0.604 22 HB3 LEU 3 3HB LEU 3 7.383 -4.981 -0.828 23 HG LEU 3 HG LEU 3 8.755 -6.582 -1.957 24 HD11 LEU 3 1HD1 LEU 3 6.646 -5.593 -3.063 25 HD12 LEU 3 2HD1 LEU 3 7.727 -6.588 -4.037 26 HD13 LEU 3 3HD1 LEU 3 7.778 -4.831 -4.181 27 HD21 LEU 3 3HD2 LEU 3 10.600 -6.132 -3.173 28 HD22 LEU 3 1HD2 LEU 3 10.578 -4.622 -2.262 29 HD23 LEU 3 2HD2 LEU 3 9.905 -4.678 -3.892 30 H TRP 4 H TRP 4 8.002 -3.114 -4.333 31 HA TRP 4 HA TRP 4 10.688 -1.904 -4.431 32 HB2 TRP 4 2HB TRP 4 10.711 -3.089 -6.772 33 HB3 TRP 4 3HB TRP 4 11.095 -4.003 -5.315 34 HD1 TRP 4 HD1 TRP 4 10.097 -6.339 -5.584 35 HE1 TRP 4 HE1 TRP 4 7.850 -7.309 -6.379 36 HE3 TRP 4 HE3 TRP 4 7.811 -2.003 -7.036 37 HZ2 TRP 4 HZ2 TRP 4 5.428 -6.361 -7.477 38 HZ3 TRP 4 HZ3 TRP 4 5.529 -2.122 -7.949 39 HH2 TRP 4 HH2 TRP 4 4.365 -4.257 -8.165 40 H LYS 5 H LYS 5 8.129 -0.538 -4.368 41 HA LYS 5 HA LYS 5 7.428 0.315 -6.993 42 HB2 LYS 5 2HB LYS 5 6.397 0.637 -4.401 43 HB3 LYS 5 3HB LYS 5 6.779 2.261 -4.957 44 HG2 LYS 5 2HG LYS 5 5.419 0.688 -6.983 45 HG3 LYS 5 3HG LYS 5 4.480 0.848 -5.497 46 HD2 LYS 5 2HD LYS 5 5.705 3.358 -6.231 47 HD3 LYS 5 3HD LYS 5 4.721 2.722 -7.550 48 HE2 LYS 5 2HE LYS 5 2.962 3.583 -6.486 49 HE3 LYS 5 3HE LYS 5 3.169 2.293 -5.302 50 HZ1 LYS 5 3HZ LYS 5 3.087 4.720 -4.500 51 HZ2 LYS 5 1HZ LYS 5 4.687 4.805 -5.041 52 HZ3 LYS 5 2HZ LYS 5 4.257 3.691 -3.844 53 H ARG 6 H ARG 6 10.126 0.909 -5.147 54 HA ARG 6 HA ARG 6 10.549 3.670 -5.762 55 HB2 ARG 6 2HB ARG 6 12.464 1.516 -4.851 56 HB3 ARG 6 3HB ARG 6 12.874 3.221 -4.985 57 HG2 ARG 6 2HG ARG 6 10.494 2.905 -3.416 58 HG3 ARG 6 3HG ARG 6 11.788 1.887 -2.780 59 HD2 ARG 6 2HD ARG 6 12.458 4.681 -3.531 60 HD3 ARG 6 3HD ARG 6 11.505 4.430 -2.069 61 HE ARG 6 HE ARG 6 14.285 3.824 -2.450 62 HH11 ARG 6 1HH1 ARG 6 11.412 3.033 -0.649 63 HH12 ARG 6 2HH1 ARG 6 12.281 2.410 0.714 64 HH21 ARG 6 1HH2 ARG 6 15.440 3.005 -0.661 65 HH22 ARG 6 2HH2 ARG 6 14.572 2.395 0.707 66 H LYS 7 H LYS 7 13.169 1.556 -6.513 67 HA LYS 7 HA LYS 7 12.851 2.134 -9.383 68 HB2 LYS 7 2HB LYS 7 15.355 2.345 -7.706 69 HB3 LYS 7 3HB LYS 7 15.363 2.339 -9.465 70 HG2 LYS 7 2HG LYS 7 15.360 4.576 -9.128 71 HG3 LYS 7 3HG LYS 7 13.616 4.304 -9.095 72 HD2 LYS 7 2HD LYS 7 14.173 5.688 -7.229 73 HD3 LYS 7 3HD LYS 7 13.782 4.083 -6.607 74 HE2 LYS 7 2HE LYS 7 16.009 3.592 -6.136 75 HE3 LYS 7 3HE LYS 7 16.614 4.838 -7.227 76 HZ1 LYS 7 3HZ LYS 7 15.642 6.497 -5.664 77 HZ2 LYS 7 1HZ LYS 7 16.924 5.600 -5.019 78 HZ3 LYS 7 2HZ LYS 7 15.331 5.233 -4.583 79 H ARG 8 H ARG 8 12.843 -0.228 -7.184 80 HA ARG 8 HA ARG 8 14.632 -2.136 -8.328 81 HB2 ARG 8 2HB ARG 8 12.506 -2.167 -6.247 82 HB3 ARG 8 3HB ARG 8 12.952 -3.705 -6.973 83 HG2 ARG 8 2HG ARG 8 14.369 -3.649 -5.183 84 HG3 ARG 8 3HG ARG 8 15.385 -2.913 -6.425 85 HD2 ARG 8 2HD ARG 8 15.155 -0.791 -5.542 86 HD3 ARG 8 3HD ARG 8 13.641 -1.183 -4.729 87 HE ARG 8 HE ARG 8 15.833 -2.660 -3.664 88 HH11 ARG 8 1HH1 ARG 8 14.267 0.449 -3.618 89 HH12 ARG 8 2HH1 ARG 8 14.829 0.854 -2.030 90 HH21 ARG 8 1HH2 ARG 8 16.580 -2.137 -1.573 91 HH22 ARG 8 2HH2 ARG 8 16.146 -0.617 -0.868 92 H TRP 9 H TRP 9 11.149 -1.540 -8.577 93 HA TRP 9 HA TRP 9 11.099 -3.336 -10.914 94 HB2 TRP 9 2HB TRP 9 9.260 -3.102 -8.600 95 HB3 TRP 9 3HB TRP 9 8.506 -3.317 -10.177 96 HD1 TRP 9 HD1 TRP 9 11.336 -5.048 -8.144 97 HE1 TRP 9 HE1 TRP 9 11.155 -7.583 -8.551 98 HE3 TRP 9 HE3 TRP 9 7.426 -5.065 -11.437 99 HZ2 TRP 9 HZ2 TRP 9 9.565 -9.356 -10.067 100 HZ3 TRP 9 HZ3 TRP 9 6.636 -7.222 -12.320 101 HH2 TRP 9 HH2 TRP 9 7.685 -9.321 -11.648 102 H ILE 10 H ILE 10 11.781 -1.152 -11.861 103 HA ILE 10 HA ILE 10 10.016 1.008 -12.044 104 HB ILE 10 HB ILE 10 11.895 0.150 -14.239 105 HG12 ILE 10 2HG1 ILE 10 13.190 2.055 -12.671 106 HG13 ILE 10 3HG1 ILE 10 12.467 0.955 -11.503 107 HG21 ILE 10 1HG2 ILE 10 10.454 2.642 -13.522 108 HG22 ILE 10 2HG2 ILE 10 12.070 2.795 -14.209 109 HG23 ILE 10 3HG2 ILE 10 10.807 1.952 -15.106 110 HD11 ILE 10 3HD1 ILE 10 14.867 0.539 -12.455 111 HD12 ILE 10 1HD1 ILE 10 13.765 -0.805 -12.156 112 HD13 ILE 10 2HD1 ILE 10 13.977 -0.186 -13.794 113 H PHE 11 H PHE 11 9.503 -2.084 -13.076 114 HA PHE 11 HA PHE 11 7.873 -1.298 -15.383 115 HB2 PHE 11 2HB PHE 11 7.669 -3.995 -15.332 116 HB3 PHE 11 3HB PHE 11 8.952 -3.131 -16.174 117 HD1 PHE 11 HD2 PHE 11 10.979 -2.475 -14.508 118 HD2 PHE 11 HD1 PHE 11 8.322 -5.769 -14.051 119 HE1 PHE 11 HE2 PHE 11 12.661 -3.637 -13.139 120 HE2 PHE 11 HE1 PHE 11 9.999 -6.936 -12.680 121 HZ PHE 11 HZ PHE 11 12.173 -5.871 -12.224 122 H ILE 12 H ILE 12 7.529 -3.697 -12.767 123 HA ILE 12 HA ILE 12 4.740 -2.799 -12.444 124 HB ILE 12 HB ILE 12 5.459 -5.606 -11.766 125 HG12 ILE 12 2HG1 ILE 12 6.458 -5.386 -13.966 126 HG13 ILE 12 3HG1 ILE 12 4.967 -6.311 -14.099 127 HG21 ILE 12 1HG2 ILE 12 3.139 -5.977 -12.566 128 HG22 ILE 12 2HG2 ILE 12 3.251 -4.822 -11.239 129 HG23 ILE 12 3HG2 ILE 12 3.015 -4.248 -12.890 130 HD11 ILE 12 3HD1 ILE 12 4.334 -4.928 -15.699 131 HD12 ILE 12 1HD1 ILE 12 4.240 -3.642 -14.496 132 HD13 ILE 12 2HD1 ILE 12 5.727 -3.886 -15.413 Start of MODEL 2 1 H1 TYR 1 H TYR 1 2.036 -0.269 1.248 2 HA TYR 1 HA TYR 1 1.549 -0.152 -1.657 3 HB2 TYR 1 2HB TYR 1 3.081 1.483 -1.910 4 HB3 TYR 1 3HB TYR 1 2.846 1.758 -0.187 5 HD1 TYR 1 HD2 TYR 1 5.079 0.371 -2.736 6 HD2 TYR 1 HD1 TYR 1 4.518 1.050 1.426 7 HE1 TYR 1 HE2 TYR 1 7.457 -0.116 -2.342 8 HE2 TYR 1 HE1 TYR 1 6.895 0.567 1.832 9 HH TYR 1 HH TYR 1 8.734 -0.676 0.735 10 H VAL 2 H VAL 2 3.433 -1.033 -2.941 11 HA VAL 2 HA VAL 2 3.874 -3.725 -2.236 12 HB VAL 2 HB VAL 2 3.900 -2.680 -4.575 13 HG11 VAL 2 1HG1 VAL 2 6.766 -2.490 -4.672 14 HG12 VAL 2 2HG1 VAL 2 5.548 -1.314 -5.172 15 HG13 VAL 2 3HG1 VAL 2 6.115 -1.342 -3.502 16 HG21 VAL 2 3HG2 VAL 2 4.500 -4.751 -5.105 17 HG22 VAL 2 1HG2 VAL 2 6.188 -4.348 -4.786 18 HG23 VAL 2 2HG2 VAL 2 5.171 -4.977 -3.489 19 H LEU 3 H LEU 3 6.713 -3.727 -3.188 20 HA LEU 3 HA LEU 3 8.045 -2.745 -0.757 21 HB2 LEU 3 2HB LEU 3 9.249 -4.758 -0.482 22 HB3 LEU 3 3HB LEU 3 7.553 -5.201 -0.662 23 HG LEU 3 HG LEU 3 8.885 -6.788 -1.856 24 HD11 LEU 3 1HD1 LEU 3 6.747 -5.776 -2.881 25 HD12 LEU 3 2HD1 LEU 3 7.793 -6.761 -3.902 26 HD13 LEU 3 3HD1 LEU 3 7.847 -5.003 -4.022 27 HD21 LEU 3 3HD2 LEU 3 9.981 -4.858 -3.794 28 HD22 LEU 3 1HD2 LEU 3 10.692 -6.325 -3.122 29 HD23 LEU 3 2HD2 LEU 3 10.706 -4.831 -2.186 30 H TRP 4 H TRP 4 8.079 -3.282 -4.155 31 HA TRP 4 HA TRP 4 10.768 -2.084 -4.309 32 HB2 TRP 4 2HB TRP 4 10.703 -3.223 -6.676 33 HB3 TRP 4 3HB TRP 4 11.138 -4.163 -5.251 34 HD1 TRP 4 HD1 TRP 4 10.118 -6.490 -5.505 35 HE1 TRP 4 HE1 TRP 4 7.842 -7.441 -6.241 36 HE3 TRP 4 HE3 TRP 4 7.808 -2.129 -6.840 37 HZ2 TRP 4 HZ2 TRP 4 5.392 -6.472 -7.254 38 HZ3 TRP 4 HZ3 TRP 4 5.499 -2.228 -7.684 39 HH2 TRP 4 HH2 TRP 4 4.318 -4.355 -7.886 40 H LYS 5 H LYS 5 8.238 -0.689 -4.137 41 HA LYS 5 HA LYS 5 7.487 0.226 -6.737 42 HB2 LYS 5 2HB LYS 5 6.480 0.461 -4.120 43 HB3 LYS 5 3HB LYS 5 6.832 2.102 -4.646 44 HG2 LYS 5 2HG LYS 5 5.383 0.364 -6.551 45 HG3 LYS 5 3HG LYS 5 4.506 0.903 -5.117 46 HD2 LYS 5 2HD LYS 5 4.049 2.707 -6.391 47 HD3 LYS 5 3HD LYS 5 5.661 3.222 -5.889 48 HE2 LYS 5 2HE LYS 5 6.225 1.648 -8.041 49 HE3 LYS 5 3HE LYS 5 4.682 2.355 -8.515 50 HZ1 LYS 5 3HZ LYS 5 5.997 4.017 -9.221 51 HZ2 LYS 5 1HZ LYS 5 7.273 3.617 -8.185 52 HZ3 LYS 5 2HZ LYS 5 5.957 4.504 -7.602 53 H ARG 6 H ARG 6 10.203 0.763 -4.914 54 HA ARG 6 HA ARG 6 10.603 3.550 -5.419 55 HB2 ARG 6 2HB ARG 6 12.554 1.376 -4.637 56 HB3 ARG 6 3HB ARG 6 12.934 3.093 -4.686 57 HG2 ARG 6 2HG ARG 6 10.591 2.715 -3.109 58 HG3 ARG 6 3HG ARG 6 11.846 1.604 -2.557 59 HD2 ARG 6 2HD ARG 6 12.152 3.590 -1.321 60 HD3 ARG 6 3HD ARG 6 13.414 3.588 -2.553 61 HE ARG 6 HE ARG 6 11.057 4.996 -3.370 62 HH11 ARG 6 1HH1 ARG 6 14.032 5.242 -1.579 63 HH12 ARG 6 2HH1 ARG 6 14.151 6.961 -1.759 64 HH21 ARG 6 1HH2 ARG 6 11.202 7.259 -3.613 65 HH22 ARG 6 2HH2 ARG 6 12.540 8.108 -2.915 66 H LYS 7 H LYS 7 13.201 1.448 -6.304 67 HA LYS 7 HA LYS 7 12.857 2.187 -9.134 68 HB2 LYS 7 2HB LYS 7 15.381 2.240 -7.478 69 HB3 LYS 7 3HB LYS 7 15.377 2.321 -9.235 70 HG2 LYS 7 2HG LYS 7 15.443 4.537 -8.781 71 HG3 LYS 7 3HG LYS 7 13.692 4.314 -8.761 72 HD2 LYS 7 2HD LYS 7 14.288 5.586 -6.828 73 HD3 LYS 7 3HD LYS 7 13.848 3.964 -6.288 74 HE2 LYS 7 2HE LYS 7 16.079 3.373 -5.887 75 HE3 LYS 7 3HE LYS 7 16.700 4.712 -6.852 76 HZ1 LYS 7 3HZ LYS 7 16.517 4.726 -4.177 77 HZ2 LYS 7 1HZ LYS 7 15.073 5.501 -4.598 78 HZ3 LYS 7 2HZ LYS 7 16.553 6.119 -5.135 79 H ARG 8 H ARG 8 12.854 -0.294 -7.048 80 HA ARG 8 HA ARG 8 14.556 -2.178 -8.350 81 HB2 ARG 8 2HB ARG 8 12.483 -2.280 -6.214 82 HB3 ARG 8 3HB ARG 8 12.892 -3.784 -7.028 83 HG2 ARG 8 2HG ARG 8 14.375 -3.861 -5.309 84 HG3 ARG 8 3HG ARG 8 15.353 -2.998 -6.498 85 HD2 ARG 8 2HD ARG 8 15.207 -1.015 -5.381 86 HD3 ARG 8 3HD ARG 8 13.619 -1.385 -4.712 87 HE ARG 8 HE ARG 8 16.153 -1.897 -3.502 88 HH11 ARG 8 1HH1 ARG 8 12.874 -3.041 -3.748 89 HH12 ARG 8 2HH1 ARG 8 12.891 -3.819 -2.200 90 HH21 ARG 8 1HH2 ARG 8 16.187 -2.917 -1.462 91 HH22 ARG 8 2HH2 ARG 8 14.776 -3.747 -0.900 92 H TRP 9 H TRP 9 11.049 -1.603 -8.380 93 HA TRP 9 HA TRP 9 10.908 -3.189 -10.861 94 HB2 TRP 9 2HB TRP 9 9.139 -3.134 -8.465 95 HB3 TRP 9 3HB TRP 9 8.372 -3.331 -10.039 96 HD1 TRP 9 HD1 TRP 9 11.206 -5.020 -7.988 97 HE1 TRP 9 HE1 TRP 9 11.172 -7.537 -8.522 98 HE3 TRP 9 HE3 TRP 9 7.492 -5.054 -11.502 99 HZ2 TRP 9 HZ2 TRP 9 9.758 -9.304 -10.210 100 HZ3 TRP 9 HZ3 TRP 9 6.859 -7.198 -12.528 101 HH2 TRP 9 HH2 TRP 9 7.970 -9.278 -11.895 102 H ILE 10 H ILE 10 11.521 -0.890 -11.610 103 HA ILE 10 HA ILE 10 9.678 1.215 -11.541 104 HB ILE 10 HB ILE 10 11.535 0.649 -13.847 105 HG12 ILE 10 2HG1 ILE 10 12.758 2.444 -12.059 106 HG13 ILE 10 3HG1 ILE 10 12.167 1.114 -11.068 107 HG21 ILE 10 1HG2 ILE 10 10.142 3.068 -12.777 108 HG22 ILE 10 2HG2 ILE 10 11.644 3.236 -13.686 109 HG23 ILE 10 3HG2 ILE 10 10.241 2.474 -14.435 110 HD11 ILE 10 3HD1 ILE 10 14.549 1.023 -12.084 111 HD12 ILE 10 1HD1 ILE 10 13.540 -0.424 -12.083 112 HD13 ILE 10 2HD1 ILE 10 13.705 0.535 -13.554 113 H PHE 11 H PHE 11 9.201 -1.772 -12.807 114 HA PHE 11 HA PHE 11 7.521 -0.835 -15.023 115 HB2 PHE 11 2HB PHE 11 7.391 -3.543 -15.179 116 HB3 PHE 11 3HB PHE 11 8.606 -2.568 -15.999 117 HD1 PHE 11 HD2 PHE 11 10.669 -1.958 -14.350 118 HD2 PHE 11 HD1 PHE 11 8.166 -5.390 -14.083 119 HE1 PHE 11 HE2 PHE 11 12.447 -3.156 -13.142 120 HE2 PHE 11 HE1 PHE 11 9.939 -6.593 -12.873 121 HZ PHE 11 HZ PHE 11 12.083 -5.477 -12.403 122 H ILE 12 H ILE 12 7.304 -3.418 -12.571 123 HA ILE 12 HA ILE 12 4.677 -2.467 -11.771 124 HB ILE 12 HB ILE 12 3.875 -4.951 -11.985 125 HG12 ILE 12 2HG1 ILE 12 6.361 -5.256 -13.099 126 HG13 ILE 12 3HG1 ILE 12 5.002 -6.345 -13.355 127 HG21 ILE 12 1HG2 ILE 12 2.972 -4.422 -14.253 128 HG22 ILE 12 2HG2 ILE 12 2.736 -3.147 -13.058 129 HG23 ILE 12 3HG2 ILE 12 4.007 -2.995 -14.271 130 HD11 ILE 12 3HD1 ILE 12 5.514 -3.976 -15.121 131 HD12 ILE 12 1HD1 ILE 12 6.244 -5.556 -15.409 132 HD13 ILE 12 2HD1 ILE 12 4.489 -5.377 -15.430 Start of MODEL 3 1 H1 TYR 1 H TYR 1 1.621 -0.631 0.891 2 HA TYR 1 HA TYR 1 1.340 -0.057 -1.941 3 HB2 TYR 1 2HB TYR 1 2.904 1.557 -2.134 4 HB3 TYR 1 3HB TYR 1 2.617 1.822 -0.418 5 HD1 TYR 1 HD2 TYR 1 4.915 0.427 -2.904 6 HD2 TYR 1 HD1 TYR 1 4.225 1.079 1.244 7 HE1 TYR 1 HE2 TYR 1 7.273 -0.093 -2.436 8 HE2 TYR 1 HE1 TYR 1 6.581 0.562 1.723 9 HH TYR 1 HH TYR 1 8.802 0.667 0.363 10 H VAL 2 H VAL 2 3.256 -0.946 -3.178 11 HA VAL 2 HA VAL 2 3.639 -3.652 -2.497 12 HB VAL 2 HB VAL 2 3.756 -2.576 -4.819 13 HG11 VAL 2 1HG1 VAL 2 6.626 -2.424 -4.817 14 HG12 VAL 2 2HG1 VAL 2 5.442 -1.226 -5.344 15 HG13 VAL 2 3HG1 VAL 2 5.951 -1.282 -3.655 16 HG21 VAL 2 3HG2 VAL 2 6.027 -4.274 -4.977 17 HG22 VAL 2 1HG2 VAL 2 4.955 -4.903 -3.726 18 HG23 VAL 2 2HG2 VAL 2 4.347 -4.647 -5.361 19 H LEU 3 H LEU 3 6.505 -3.686 -3.353 20 HA LEU 3 HA LEU 3 7.770 -2.753 -0.868 21 HB2 LEU 3 2HB LEU 3 8.935 -4.787 -0.577 22 HB3 LEU 3 3HB LEU 3 7.240 -5.202 -0.821 23 HG LEU 3 HG LEU 3 8.587 -6.794 -1.990 24 HD11 LEU 3 1HD1 LEU 3 6.503 -5.733 -3.076 25 HD12 LEU 3 2HD1 LEU 3 7.569 -6.723 -4.072 26 HD13 LEU 3 3HD1 LEU 3 7.656 -4.965 -4.168 27 HD21 LEU 3 3HD2 LEU 3 10.448 -6.344 -3.179 28 HD22 LEU 3 1HD2 LEU 3 10.445 -4.857 -2.231 29 HD23 LEU 3 2HD2 LEU 3 9.782 -4.861 -3.865 30 H TRP 4 H TRP 4 7.910 -3.249 -4.269 31 HA TRP 4 HA TRP 4 10.616 -2.084 -4.319 32 HB2 TRP 4 2HB TRP 4 10.632 -3.203 -6.692 33 HB3 TRP 4 3HB TRP 4 10.992 -4.164 -5.260 34 HD1 TRP 4 HD1 TRP 4 9.956 -6.474 -5.602 35 HE1 TRP 4 HE1 TRP 4 7.696 -7.381 -6.435 36 HE3 TRP 4 HE3 TRP 4 7.752 -2.059 -6.939 37 HZ2 TRP 4 HZ2 TRP 4 5.297 -6.360 -7.517 38 HZ3 TRP 4 HZ3 TRP 4 5.473 -2.111 -7.865 39 HH2 TRP 4 HH2 TRP 4 4.273 -4.219 -8.148 40 H LYS 5 H LYS 5 8.083 -0.674 -4.230 41 HA LYS 5 HA LYS 5 7.409 0.264 -6.832 42 HB2 LYS 5 2HB LYS 5 6.374 0.534 -4.235 43 HB3 LYS 5 3HB LYS 5 6.784 2.165 -4.750 44 HG2 LYS 5 2HG LYS 5 5.459 0.817 -6.888 45 HG3 LYS 5 3HG LYS 5 4.508 0.651 -5.410 46 HD2 LYS 5 2HD LYS 5 4.734 3.126 -5.092 47 HD3 LYS 5 3HD LYS 5 5.475 3.204 -6.692 48 HE2 LYS 5 2HE LYS 5 3.052 1.700 -6.853 49 HE3 LYS 5 3HE LYS 5 2.728 3.225 -6.029 50 HZ1 LYS 5 3HZ LYS 5 2.492 3.863 -8.187 51 HZ2 LYS 5 1HZ LYS 5 3.621 2.748 -8.777 52 HZ3 LYS 5 2HZ LYS 5 4.148 4.159 -8.006 53 H ARG 6 H ARG 6 10.107 0.761 -4.956 54 HA ARG 6 HA ARG 6 10.582 3.529 -5.495 55 HB2 ARG 6 2HB ARG 6 12.454 1.317 -4.633 56 HB3 ARG 6 3HB ARG 6 12.895 3.017 -4.720 57 HG2 ARG 6 2HG ARG 6 10.501 2.694 -3.170 58 HG3 ARG 6 3HG ARG 6 11.782 1.649 -2.554 59 HD2 ARG 6 2HD ARG 6 12.090 4.596 -3.107 60 HD3 ARG 6 3HD ARG 6 11.748 3.907 -1.520 61 HE ARG 6 HE ARG 6 14.049 2.694 -2.597 62 HH11 ARG 6 1HH1 ARG 6 12.960 5.724 -1.273 63 HH12 ARG 6 2HH1 ARG 6 14.525 6.178 -0.683 64 HH21 ARG 6 1HH2 ARG 6 16.114 3.280 -1.824 65 HH22 ARG 6 2HH2 ARG 6 16.318 4.787 -0.998 66 H LYS 7 H LYS 7 13.170 1.392 -6.290 67 HA LYS 7 HA LYS 7 12.877 2.052 -9.145 68 HB2 LYS 7 2HB LYS 7 15.376 2.173 -7.452 69 HB3 LYS 7 3HB LYS 7 15.392 2.217 -9.210 70 HG2 LYS 7 2HG LYS 7 15.428 4.443 -8.807 71 HG3 LYS 7 3HG LYS 7 13.679 4.201 -8.794 72 HD2 LYS 7 2HD LYS 7 14.247 5.521 -6.885 73 HD3 LYS 7 3HD LYS 7 13.823 3.906 -6.313 74 HE2 LYS 7 2HE LYS 7 16.036 3.361 -5.841 75 HE3 LYS 7 3HE LYS 7 16.673 4.626 -6.890 76 HZ1 LYS 7 3HZ LYS 7 16.197 6.263 -5.332 77 HZ2 LYS 7 1HZ LYS 7 16.770 4.987 -4.381 78 HZ3 LYS 7 2HZ LYS 7 15.109 5.292 -4.475 79 H ARG 8 H ARG 8 12.814 -0.368 -7.013 80 HA ARG 8 HA ARG 8 14.577 -2.275 -8.199 81 HB2 ARG 8 2HB ARG 8 12.440 -2.324 -6.129 82 HB3 ARG 8 3HB ARG 8 12.859 -3.850 -6.896 83 HG2 ARG 8 2HG ARG 8 14.269 -3.871 -5.099 84 HG3 ARG 8 3HG ARG 8 15.305 -3.122 -6.316 85 HD2 ARG 8 2HD ARG 8 15.109 -1.019 -5.378 86 HD3 ARG 8 3HD ARG 8 13.587 -1.407 -4.577 87 HE ARG 8 HE ARG 8 15.486 -3.028 -3.414 88 HH11 ARG 8 1HH1 ARG 8 14.964 0.393 -3.796 89 HH12 ARG 8 2HH1 ARG 8 15.767 0.813 -2.319 90 HH21 ARG 8 1HH2 ARG 8 16.546 -2.488 -1.467 91 HH22 ARG 8 2HH2 ARG 8 16.667 -0.827 -0.996 92 H TRP 9 H TRP 9 11.106 -1.611 -8.450 93 HA TRP 9 HA TRP 9 11.038 -3.340 -10.836 94 HB2 TRP 9 2HB TRP 9 9.192 -3.141 -8.525 95 HB3 TRP 9 3HB TRP 9 8.442 -3.298 -10.111 96 HD1 TRP 9 HD1 TRP 9 11.232 -5.135 -8.116 97 HE1 TRP 9 HE1 TRP 9 11.010 -7.654 -8.596 98 HE3 TRP 9 HE3 TRP 9 7.338 -4.990 -11.425 99 HZ2 TRP 9 HZ2 TRP 9 9.398 -9.354 -10.169 100 HZ3 TRP 9 HZ3 TRP 9 6.516 -7.107 -12.372 101 HH2 TRP 9 HH2 TRP 9 7.526 -9.243 -11.756 102 H ILE 10 H ILE 10 11.761 -1.145 -11.721 103 HA ILE 10 HA ILE 10 10.032 1.050 -11.850 104 HB ILE 10 HB ILE 10 11.937 0.203 -14.032 105 HG12 ILE 10 2HG1 ILE 10 12.495 1.810 -11.528 106 HG13 ILE 10 3HG1 ILE 10 13.075 0.180 -11.854 107 HG21 ILE 10 1HG2 ILE 10 10.232 2.469 -13.648 108 HG22 ILE 10 2HG2 ILE 10 11.917 2.986 -13.636 109 HG23 ILE 10 3HG2 ILE 10 11.282 2.084 -15.011 110 HD11 ILE 10 3HD1 ILE 10 14.051 2.768 -12.831 111 HD12 ILE 10 1HD1 ILE 10 14.917 1.262 -12.527 112 HD13 ILE 10 2HD1 ILE 10 14.009 1.470 -14.025 113 H PHE 11 H PHE 11 9.478 -2.004 -12.973 114 HA PHE 11 HA PHE 11 7.873 -1.126 -15.265 115 HB2 PHE 11 2HB PHE 11 7.624 -3.820 -15.291 116 HB3 PHE 11 3HB PHE 11 8.926 -2.955 -16.100 117 HD1 PHE 11 HD2 PHE 11 10.954 -2.381 -14.405 118 HD2 PHE 11 HD1 PHE 11 8.238 -5.639 -14.055 119 HE1 PHE 11 HE2 PHE 11 12.607 -3.609 -13.059 120 HE2 PHE 11 HE1 PHE 11 9.886 -6.872 -12.707 121 HZ PHE 11 HZ PHE 11 12.074 -5.858 -12.208 122 H ILE 12 H ILE 12 7.475 -3.587 -12.714 123 HA ILE 12 HA ILE 12 4.699 -2.652 -12.383 124 HB ILE 12 HB ILE 12 5.365 -5.488 -11.779 125 HG12 ILE 12 2HG1 ILE 12 6.383 -5.224 -13.966 126 HG13 ILE 12 3HG1 ILE 12 4.878 -6.122 -14.132 127 HG21 ILE 12 1HG2 ILE 12 3.038 -3.836 -12.099 128 HG22 ILE 12 2HG2 ILE 12 2.958 -5.224 -13.183 129 HG23 ILE 12 3HG2 ILE 12 3.169 -5.471 -11.450 130 HD11 ILE 12 3HD1 ILE 12 4.276 -4.687 -15.699 131 HD12 ILE 12 1HD1 ILE 12 4.196 -3.433 -14.462 132 HD13 ILE 12 2HD1 ILE 12 5.684 -3.675 -15.377 Start of MODEL 4 1 H1 TYR 1 H TYR 1 1.896 0.120 0.861 2 HA TYR 1 HA TYR 1 1.482 0.308 -2.039 3 HB2 TYR 1 2HB TYR 1 3.054 1.896 -2.362 4 HB3 TYR 1 3HB TYR 1 2.775 2.282 -0.667 5 HD1 TYR 1 HD2 TYR 1 5.059 0.705 -3.057 6 HD2 TYR 1 HD1 TYR 1 4.393 1.667 1.034 7 HE1 TYR 1 HE2 TYR 1 7.419 0.219 -2.565 8 HE2 TYR 1 HE1 TYR 1 6.751 1.184 1.537 9 HH TYR 1 HH TYR 1 8.803 -0.419 -0.634 10 H VAL 2 H VAL 2 3.388 -0.651 -3.246 11 HA VAL 2 HA VAL 2 3.774 -3.313 -2.415 12 HB VAL 2 HB VAL 2 3.872 -2.371 -4.795 13 HG11 VAL 2 1HG1 VAL 2 6.089 -1.028 -3.722 14 HG12 VAL 2 2HG1 VAL 2 6.738 -2.227 -4.843 15 HG13 VAL 2 3HG1 VAL 2 5.550 -1.048 -5.401 16 HG21 VAL 2 3HG2 VAL 2 4.453 -4.472 -5.221 17 HG22 VAL 2 1HG2 VAL 2 6.138 -4.081 -4.877 18 HG23 VAL 2 2HG2 VAL 2 5.079 -4.637 -3.581 19 H LEU 3 H LEU 3 6.635 -3.393 -3.297 20 HA LEU 3 HA LEU 3 7.923 -2.325 -0.879 21 HB2 LEU 3 2HB LEU 3 9.088 -4.341 -0.484 22 HB3 LEU 3 3HB LEU 3 7.390 -4.766 -0.686 23 HG LEU 3 HG LEU 3 8.724 -6.425 -1.774 24 HD11 LEU 3 1HD1 LEU 3 7.685 -6.472 -3.848 25 HD12 LEU 3 2HD1 LEU 3 7.768 -4.722 -4.043 26 HD13 LEU 3 3HD1 LEU 3 6.628 -5.427 -2.897 27 HD21 LEU 3 3HD2 LEU 3 10.586 -4.517 -2.144 28 HD22 LEU 3 1HD2 LEU 3 9.900 -4.598 -3.766 29 HD23 LEU 3 2HD2 LEU 3 10.568 -6.049 -3.019 30 H TRP 4 H TRP 4 8.027 -3.008 -4.247 31 HA TRP 4 HA TRP 4 10.738 -1.857 -4.388 32 HB2 TRP 4 2HB TRP 4 10.717 -3.104 -6.700 33 HB3 TRP 4 3HB TRP 4 11.101 -3.983 -5.222 34 HD1 TRP 4 HD1 TRP 4 10.055 -6.306 -5.399 35 HE1 TRP 4 HE1 TRP 4 7.786 -7.260 -6.149 36 HE3 TRP 4 HE3 TRP 4 7.842 -1.980 -6.988 37 HZ2 TRP 4 HZ2 TRP 4 5.376 -6.305 -7.268 38 HZ3 TRP 4 HZ3 TRP 4 5.554 -2.087 -7.885 39 HH2 TRP 4 HH2 TRP 4 4.348 -4.205 -8.022 40 H LYS 5 H LYS 5 8.226 -0.422 -4.344 41 HA LYS 5 HA LYS 5 7.555 0.380 -7.003 42 HB2 LYS 5 2HB LYS 5 6.463 0.729 -4.444 43 HB3 LYS 5 3HB LYS 5 6.878 2.347 -4.993 44 HG2 LYS 5 2HG LYS 5 5.471 2.188 -6.869 45 HG3 LYS 5 3HG LYS 5 5.302 0.440 -6.691 46 HD2 LYS 5 2HD LYS 5 3.857 0.638 -4.882 47 HD3 LYS 5 3HD LYS 5 4.390 2.280 -4.511 48 HE2 LYS 5 2HE LYS 5 3.131 3.209 -6.227 49 HE3 LYS 5 3HE LYS 5 3.017 1.683 -7.102 50 HZ1 LYS 5 3HZ LYS 5 1.318 0.951 -5.793 51 HZ2 LYS 5 1HZ LYS 5 1.003 2.613 -5.745 52 HZ3 LYS 5 2HZ LYS 5 1.788 1.863 -4.448 53 H ARG 6 H ARG 6 10.229 0.966 -5.137 54 HA ARG 6 HA ARG 6 10.677 3.723 -5.754 55 HB2 ARG 6 2HB ARG 6 12.578 1.565 -4.823 56 HB3 ARG 6 3HB ARG 6 12.982 3.272 -4.939 57 HG2 ARG 6 2HG ARG 6 10.598 3.014 -3.411 58 HG3 ARG 6 3HG ARG 6 11.801 1.887 -2.782 59 HD2 ARG 6 2HD ARG 6 12.240 4.833 -3.262 60 HD3 ARG 6 3HD ARG 6 11.922 4.090 -1.694 61 HE ARG 6 HE ARG 6 14.178 2.925 -2.997 62 HH11 ARG 6 1HH1 ARG 6 13.127 5.658 -1.113 63 HH12 ARG 6 2HH1 ARG 6 14.698 5.974 -0.455 64 HH21 ARG 6 1HH2 ARG 6 16.251 3.331 -2.137 65 HH22 ARG 6 2HH2 ARG 6 16.475 4.651 -1.039 66 H LYS 7 H LYS 7 13.267 1.550 -6.475 67 HA LYS 7 HA LYS 7 13.009 2.168 -9.343 68 HB2 LYS 7 2HB LYS 7 15.489 2.261 -7.623 69 HB3 LYS 7 3HB LYS 7 15.534 2.261 -9.381 70 HG2 LYS 7 2HG LYS 7 15.615 4.494 -9.036 71 HG3 LYS 7 3HG LYS 7 13.861 4.295 -9.036 72 HD2 LYS 7 2HD LYS 7 14.437 5.648 -7.155 73 HD3 LYS 7 3HD LYS 7 13.973 4.057 -6.546 74 HE2 LYS 7 2HE LYS 7 16.174 3.476 -6.046 75 HE3 LYS 7 3HE LYS 7 16.843 4.712 -7.110 76 HZ1 LYS 7 3HZ LYS 7 16.861 5.071 -4.565 77 HZ2 LYS 7 1HZ LYS 7 15.241 5.510 -4.775 78 HZ3 LYS 7 2HZ LYS 7 16.459 6.364 -5.578 79 H ARG 8 H ARG 8 12.918 -0.218 -7.149 80 HA ARG 8 HA ARG 8 14.624 -2.181 -8.324 81 HB2 ARG 8 2HB ARG 8 12.495 -2.162 -6.240 82 HB3 ARG 8 3HB ARG 8 12.909 -3.706 -6.974 83 HG2 ARG 8 2HG ARG 8 14.339 -3.713 -5.205 84 HG3 ARG 8 3HG ARG 8 15.362 -2.933 -6.414 85 HD2 ARG 8 2HD ARG 8 15.198 -0.876 -5.427 86 HD3 ARG 8 3HD ARG 8 13.611 -1.215 -4.737 87 HE ARG 8 HE ARG 8 16.143 -1.644 -3.499 88 HH11 ARG 8 1HH1 ARG 8 12.884 -2.852 -3.702 89 HH12 ARG 8 2HH1 ARG 8 12.908 -3.558 -2.120 90 HH21 ARG 8 1HH2 ARG 8 16.188 -2.570 -1.415 91 HH22 ARG 8 2HH2 ARG 8 14.788 -3.396 -0.820 92 H TRP 9 H TRP 9 11.127 -1.563 -8.465 93 HA TRP 9 HA TRP 9 11.023 -3.255 -10.877 94 HB2 TRP 9 2HB TRP 9 9.198 -3.070 -8.531 95 HB3 TRP 9 3HB TRP 9 8.466 -3.327 -10.113 96 HD1 TRP 9 HD1 TRP 9 11.225 -4.959 -7.918 97 HE1 TRP 9 HE1 TRP 9 11.168 -7.497 -8.341 98 HE3 TRP 9 HE3 TRP 9 7.600 -5.102 -11.521 99 HZ2 TRP 9 HZ2 TRP 9 9.773 -9.319 -9.984 100 HZ3 TRP 9 HZ3 TRP 9 6.963 -7.282 -12.467 101 HH2 TRP 9 HH2 TRP 9 8.028 -9.346 -11.714 102 H ILE 10 H ILE 10 11.687 -0.999 -11.711 103 HA ILE 10 HA ILE 10 9.873 1.131 -11.781 104 HB ILE 10 HB ILE 10 11.779 0.438 -14.011 105 HG12 ILE 10 2HG1 ILE 10 12.976 2.300 -12.270 106 HG13 ILE 10 3HG1 ILE 10 12.348 1.017 -11.242 107 HG21 ILE 10 1HG2 ILE 10 11.909 3.059 -13.888 108 HG22 ILE 10 2HG2 ILE 10 10.600 2.255 -14.754 109 HG23 ILE 10 3HG2 ILE 10 10.327 2.882 -13.129 110 HD11 ILE 10 3HD1 ILE 10 13.667 -0.611 -12.287 111 HD12 ILE 10 1HD1 ILE 10 14.029 0.442 -13.655 112 HD13 ILE 10 2HD1 ILE 10 14.729 0.780 -12.072 113 H PHE 11 H PHE 11 9.385 -1.903 -12.925 114 HA PHE 11 HA PHE 11 7.773 -1.044 -15.223 115 HB2 PHE 11 2HB PHE 11 7.610 -3.754 -15.263 116 HB3 PHE 11 3HB PHE 11 8.858 -2.831 -16.094 117 HD1 PHE 11 HD2 PHE 11 10.889 -2.176 -14.422 118 HD2 PHE 11 HD1 PHE 11 8.332 -5.560 -14.068 119 HE1 PHE 11 HE2 PHE 11 12.618 -3.342 -13.118 120 HE2 PHE 11 HE1 PHE 11 10.057 -6.732 -12.763 121 HZ PHE 11 HZ PHE 11 12.204 -5.624 -12.287 122 H ILE 12 H ILE 12 7.461 -3.513 -12.666 123 HA ILE 12 HA ILE 12 4.828 -2.495 -11.975 124 HB ILE 12 HB ILE 12 3.998 -4.976 -12.099 125 HG12 ILE 12 2HG1 ILE 12 6.506 -5.360 -13.136 126 HG13 ILE 12 3HG1 ILE 12 5.139 -6.442 -13.380 127 HG21 ILE 12 1HG2 ILE 12 4.213 -3.123 -14.464 128 HG22 ILE 12 2HG2 ILE 12 3.159 -4.536 -14.411 129 HG23 ILE 12 3HG2 ILE 12 2.910 -3.207 -13.279 130 HD11 ILE 12 3HD1 ILE 12 4.690 -5.559 -15.507 131 HD12 ILE 12 1HD1 ILE 12 5.726 -4.159 -15.233 132 HD13 ILE 12 2HD1 ILE 12 6.441 -5.760 -15.434 Start of MODEL 5 1 H1 TYR 1 H TYR 1 2.159 -0.269 1.228 2 HA TYR 1 HA TYR 1 1.669 0.018 -1.651 3 HB2 TYR 1 2HB TYR 1 3.204 1.639 -1.964 4 HB3 TYR 1 3HB TYR 1 2.996 1.955 -0.245 5 HD1 TYR 1 HD2 TYR 1 5.186 0.501 -2.794 6 HD2 TYR 1 HD1 TYR 1 4.688 1.275 1.360 7 HE1 TYR 1 HE2 TYR 1 7.568 0.012 -2.423 8 HE2 TYR 1 HE1 TYR 1 7.068 0.790 1.742 9 HH TYR 1 HH TYR 1 9.097 0.568 0.675 10 H VAL 2 H VAL 2 3.532 -0.900 -2.942 11 HA VAL 2 HA VAL 2 3.971 -3.577 -2.184 12 HB VAL 2 HB VAL 2 3.967 -2.585 -4.546 13 HG11 VAL 2 1HG1 VAL 2 6.202 -1.233 -3.536 14 HG12 VAL 2 2HG1 VAL 2 6.831 -2.409 -4.691 15 HG13 VAL 2 3HG1 VAL 2 5.611 -1.240 -5.197 16 HG21 VAL 2 3HG2 VAL 2 6.243 -4.269 -4.754 17 HG22 VAL 2 1HG2 VAL 2 5.242 -4.861 -3.428 18 HG23 VAL 2 2HG2 VAL 2 4.550 -4.670 -5.039 19 H LEU 3 H LEU 3 6.795 -3.614 -3.177 20 HA LEU 3 HA LEU 3 8.167 -2.584 -0.789 21 HB2 LEU 3 2HB LEU 3 9.367 -4.596 -0.486 22 HB3 LEU 3 3HB LEU 3 7.666 -5.035 -0.632 23 HG LEU 3 HG LEU 3 8.973 -6.654 -1.809 24 HD11 LEU 3 1HD1 LEU 3 6.825 -5.655 -2.826 25 HD12 LEU 3 2HD1 LEU 3 7.852 -6.667 -3.840 26 HD13 LEU 3 3HD1 LEU 3 7.912 -4.912 -4.000 27 HD21 LEU 3 3HD2 LEU 3 10.798 -4.714 -2.210 28 HD22 LEU 3 1HD2 LEU 3 10.050 -4.772 -3.806 29 HD23 LEU 3 2HD2 LEU 3 10.764 -6.229 -3.113 30 H TRP 4 H TRP 4 8.149 -3.196 -4.174 31 HA TRP 4 HA TRP 4 10.840 -2.014 -4.394 32 HB2 TRP 4 2HB TRP 4 10.737 -3.205 -6.733 33 HB3 TRP 4 3HB TRP 4 11.188 -4.115 -5.294 34 HD1 TRP 4 HD1 TRP 4 10.155 -6.443 -5.482 35 HE1 TRP 4 HE1 TRP 4 7.865 -7.400 -6.164 36 HE3 TRP 4 HE3 TRP 4 7.844 -2.102 -6.880 37 HZ2 TRP 4 HZ2 TRP 4 5.405 -6.443 -7.163 38 HZ3 TRP 4 HZ3 TRP 4 5.522 -2.210 -7.688 39 HH2 TRP 4 HH2 TRP 4 4.330 -4.336 -7.826 40 H LYS 5 H LYS 5 8.321 -0.602 -4.216 41 HA LYS 5 HA LYS 5 7.536 0.256 -6.825 42 HB2 LYS 5 2HB LYS 5 6.567 0.554 -4.201 43 HB3 LYS 5 3HB LYS 5 6.917 2.182 -4.768 44 HG2 LYS 5 2HG LYS 5 5.483 0.499 -6.693 45 HG3 LYS 5 3HG LYS 5 4.597 0.855 -5.208 46 HD2 LYS 5 2HD LYS 5 4.302 3.005 -5.772 47 HD3 LYS 5 3HD LYS 5 5.965 3.176 -6.340 48 HE2 LYS 5 2HE LYS 5 4.502 1.481 -8.127 49 HE3 LYS 5 3HE LYS 5 3.612 2.983 -7.878 50 HZ1 LYS 5 3HZ LYS 5 5.058 4.073 -9.133 51 HZ2 LYS 5 1HZ LYS 5 5.768 2.593 -9.544 52 HZ3 LYS 5 2HZ LYS 5 6.380 3.493 -8.250 53 H ARG 6 H ARG 6 10.280 0.821 -5.056 54 HA ARG 6 HA ARG 6 10.683 3.595 -5.627 55 HB2 ARG 6 2HB ARG 6 12.637 1.431 -4.827 56 HB3 ARG 6 3HB ARG 6 13.022 3.145 -4.918 57 HG2 ARG 6 2HG ARG 6 10.703 2.822 -3.300 58 HG3 ARG 6 3HG ARG 6 11.949 1.701 -2.746 59 HD2 ARG 6 2HD ARG 6 13.512 3.466 -2.433 60 HD3 ARG 6 3HD ARG 6 12.469 4.620 -3.263 61 HE ARG 6 HE ARG 6 11.096 3.591 -1.045 62 HH11 ARG 6 1HH1 ARG 6 13.810 5.639 -1.794 63 HH12 ARG 6 2HH1 ARG 6 13.666 6.580 -0.346 64 HH21 ARG 6 1HH2 ARG 6 10.896 4.823 0.865 65 HH22 ARG 6 2HH2 ARG 6 12.009 6.114 1.166 66 H LYS 7 H LYS 7 13.255 1.457 -6.505 67 HA LYS 7 HA LYS 7 12.876 2.142 -9.345 68 HB2 LYS 7 2HB LYS 7 15.423 2.209 -7.725 69 HB3 LYS 7 3HB LYS 7 15.396 2.251 -9.483 70 HG2 LYS 7 2HG LYS 7 15.476 4.475 -9.095 71 HG3 LYS 7 3HG LYS 7 13.725 4.266 -9.015 72 HD2 LYS 7 2HD LYS 7 14.389 5.580 -7.133 73 HD3 LYS 7 3HD LYS 7 13.957 3.975 -6.540 74 HE2 LYS 7 2HE LYS 7 16.183 3.384 -6.166 75 HE3 LYS 7 3HE LYS 7 16.795 4.657 -7.221 76 HZ1 LYS 7 3HZ LYS 7 15.266 5.633 -4.984 77 HZ2 LYS 7 1HZ LYS 7 16.774 6.134 -5.566 78 HZ3 LYS 7 2HZ LYS 7 16.668 4.801 -4.531 79 H ARG 8 H ARG 8 12.913 -0.295 -7.193 80 HA ARG 8 HA ARG 8 14.571 -2.218 -8.487 81 HB2 ARG 8 2HB ARG 8 12.528 -2.264 -6.320 82 HB3 ARG 8 3HB ARG 8 12.922 -3.787 -7.106 83 HG2 ARG 8 2HG ARG 8 14.425 -3.826 -5.400 84 HG3 ARG 8 3HG ARG 8 15.391 -3.003 -6.626 85 HD2 ARG 8 2HD ARG 8 15.257 -0.980 -5.573 86 HD3 ARG 8 3HD ARG 8 13.692 -1.341 -4.845 87 HE ARG 8 HE ARG 8 16.261 -1.797 -3.696 88 HH11 ARG 8 1HH1 ARG 8 12.997 -3.000 -3.829 89 HH12 ARG 8 2HH1 ARG 8 13.069 -3.745 -2.266 90 HH21 ARG 8 1HH2 ARG 8 16.368 -2.773 -1.637 91 HH22 ARG 8 2HH2 ARG 8 14.987 -3.614 -1.020 92 H TRP 9 H TRP 9 11.065 -1.633 -8.466 93 HA TRP 9 HA TRP 9 10.876 -3.262 -10.916 94 HB2 TRP 9 2HB TRP 9 9.149 -3.155 -8.492 95 HB3 TRP 9 3HB TRP 9 8.354 -3.380 -10.048 96 HD1 TRP 9 HD1 TRP 9 11.210 -5.040 -8.005 97 HE1 TRP 9 HE1 TRP 9 11.162 -7.567 -8.494 98 HE3 TRP 9 HE3 TRP 9 7.455 -5.125 -11.474 99 HZ2 TRP 9 HZ2 TRP 9 9.723 -9.359 -10.133 100 HZ3 TRP 9 HZ3 TRP 9 6.804 -7.286 -12.455 101 HH2 TRP 9 HH2 TRP 9 7.916 -9.357 -11.797 102 H ILE 10 H ILE 10 11.485 -0.977 -11.715 103 HA ILE 10 HA ILE 10 9.643 1.132 -11.656 104 HB ILE 10 HB ILE 10 11.495 0.514 -13.955 105 HG12 ILE 10 2HG1 ILE 10 12.092 1.964 -11.366 106 HG13 ILE 10 3HG1 ILE 10 12.737 0.397 -11.843 107 HG21 ILE 10 1HG2 ILE 10 10.744 2.431 -14.777 108 HG22 ILE 10 2HG2 ILE 10 9.703 2.655 -13.371 109 HG23 ILE 10 3HG2 ILE 10 11.358 3.265 -13.349 110 HD11 ILE 10 3HD1 ILE 10 13.565 1.803 -13.930 111 HD12 ILE 10 1HD1 ILE 10 13.473 3.113 -12.753 112 HD13 ILE 10 2HD1 ILE 10 14.487 1.706 -12.430 113 H PHE 11 H PHE 11 9.148 -1.875 -12.863 114 HA PHE 11 HA PHE 11 7.447 -0.975 -15.078 115 HB2 PHE 11 2HB PHE 11 7.312 -3.685 -15.186 116 HB3 PHE 11 3HB PHE 11 8.520 -2.726 -16.034 117 HD1 PHE 11 HD2 PHE 11 10.602 -2.092 -14.418 118 HD2 PHE 11 HD1 PHE 11 8.094 -5.513 -14.065 119 HE1 PHE 11 HE2 PHE 11 12.389 -3.272 -13.207 120 HE2 PHE 11 HE1 PHE 11 9.877 -6.699 -12.852 121 HZ PHE 11 HZ PHE 11 12.028 -5.579 -12.423 122 H ILE 12 H ILE 12 7.258 -3.503 -12.567 123 HA ILE 12 HA ILE 12 4.637 -2.540 -11.763 124 HB ILE 12 HB ILE 12 3.839 -5.032 -11.916 125 HG12 ILE 12 2HG1 ILE 12 6.311 -5.349 -13.059 126 HG13 ILE 12 3HG1 ILE 12 4.952 -6.447 -13.275 127 HG21 ILE 12 1HG2 ILE 12 3.934 -3.119 -14.240 128 HG22 ILE 12 2HG2 ILE 12 2.903 -4.547 -14.179 129 HG23 ILE 12 3HG2 ILE 12 2.681 -3.249 -13.007 130 HD11 ILE 12 3HD1 ILE 12 6.162 -5.694 -15.361 131 HD12 ILE 12 1HD1 ILE 12 4.407 -5.522 -15.361 132 HD13 ILE 12 2HD1 ILE 12 5.432 -4.111 -15.093 Start of MODEL 6 1 H1 TYR 1 H TYR 1 1.721 0.292 0.805 2 HA TYR 1 HA TYR 1 1.325 0.374 -2.112 3 HB2 TYR 1 2HB TYR 1 2.909 1.955 -2.401 4 HB3 TYR 1 3HB TYR 1 2.614 2.329 -0.707 5 HD1 TYR 1 HD1 TYR 1 4.914 0.762 -3.086 6 HD2 TYR 1 HD2 TYR 1 4.206 1.676 1.008 7 HE1 TYR 1 HE1 TYR 1 7.265 0.254 -2.572 8 HE2 TYR 1 HE2 TYR 1 6.555 1.172 1.533 9 HH TYR 1 HH TYR 1 8.876 0.374 -1.010 10 H VAL 2 H VAL 2 3.239 -0.594 -3.297 11 HA VAL 2 HA VAL 2 3.594 -3.263 -2.473 12 HB VAL 2 HB VAL 2 3.735 -2.307 -4.847 13 HG11 VAL 2 1HG1 VAL 2 5.952 -0.996 -3.731 14 HG12 VAL 2 2HG1 VAL 2 6.601 -2.191 -4.855 15 HG13 VAL 2 3HG1 VAL 2 5.433 -0.994 -5.417 16 HG21 VAL 2 3HG2 VAL 2 5.985 -4.040 -4.905 17 HG22 VAL 2 1HG2 VAL 2 4.900 -4.591 -3.628 18 HG23 VAL 2 2HG2 VAL 2 4.301 -4.411 -5.277 19 H LEU 3 H LEU 3 6.467 -3.362 -3.312 20 HA LEU 3 HA LEU 3 7.727 -2.314 -0.871 21 HB2 LEU 3 2HB LEU 3 8.872 -4.341 -0.468 22 HB3 LEU 3 3HB LEU 3 7.172 -4.750 -0.692 23 HG LEU 3 HG LEU 3 8.502 -6.418 -1.770 24 HD11 LEU 3 1HD1 LEU 3 7.488 -6.449 -3.855 25 HD12 LEU 3 2HD1 LEU 3 7.598 -4.700 -4.047 26 HD13 LEU 3 3HD1 LEU 3 6.433 -5.390 -2.918 27 HD21 LEU 3 3HD2 LEU 3 9.725 -4.594 -3.737 28 HD22 LEU 3 1HD2 LEU 3 10.365 -6.057 -2.989 29 HD23 LEU 3 2HD2 LEU 3 10.390 -4.532 -2.105 30 H TRP 4 H TRP 4 7.876 -2.986 -4.240 31 HA TRP 4 HA TRP 4 10.597 -1.859 -4.337 32 HB2 TRP 4 2HB TRP 4 10.600 -3.097 -6.654 33 HB3 TRP 4 3HB TRP 4 10.955 -3.984 -5.174 34 HD1 TRP 4 HD1 TRP 4 9.891 -6.297 -5.372 35 HE1 TRP 4 HE1 TRP 4 7.625 -7.229 -6.160 36 HE3 TRP 4 HE3 TRP 4 7.741 -1.947 -6.982 37 HZ2 TRP 4 HZ2 TRP 4 5.242 -6.250 -7.313 38 HZ3 TRP 4 HZ3 TRP 4 5.465 -2.031 -7.915 39 HH2 TRP 4 HH2 TRP 4 4.244 -4.139 -8.076 40 H LYS 5 H LYS 5 8.101 -0.399 -4.323 41 HA LYS 5 HA LYS 5 7.471 0.417 -6.988 42 HB2 LYS 5 2HB LYS 5 6.326 0.746 -4.467 43 HB3 LYS 5 3HB LYS 5 6.808 2.370 -4.941 44 HG2 LYS 5 2HG LYS 5 5.523 2.202 -6.976 45 HG3 LYS 5 3HG LYS 5 5.115 0.523 -6.612 46 HD2 LYS 5 2HD LYS 5 4.429 2.193 -4.384 47 HD3 LYS 5 3HD LYS 5 3.714 2.846 -5.860 48 HE2 LYS 5 2HE LYS 5 3.512 -0.072 -5.212 49 HE3 LYS 5 3HE LYS 5 2.396 1.089 -4.496 50 HZ1 LYS 5 3HZ LYS 5 1.917 -0.105 -6.792 51 HZ2 LYS 5 1HZ LYS 5 2.777 1.227 -7.384 52 HZ3 LYS 5 2HZ LYS 5 1.377 1.465 -6.465 53 H ARG 6 H ARG 6 10.130 0.969 -5.090 54 HA ARG 6 HA ARG 6 10.614 3.723 -5.699 55 HB2 ARG 6 2HB ARG 6 12.479 1.544 -4.742 56 HB3 ARG 6 3HB ARG 6 12.904 3.246 -4.854 57 HG2 ARG 6 2HG ARG 6 10.489 2.979 -3.355 58 HG3 ARG 6 3HG ARG 6 11.713 1.890 -2.700 59 HD2 ARG 6 2HD ARG 6 12.355 4.749 -3.334 60 HD3 ARG 6 3HD ARG 6 11.601 4.303 -1.804 61 HE ARG 6 HE ARG 6 13.938 2.756 -2.377 62 HH11 ARG 6 1HH1 ARG 6 12.795 5.786 -1.100 63 HH12 ARG 6 2HH1 ARG 6 14.192 6.045 -0.110 64 HH21 ARG 6 1HH2 ARG 6 15.783 3.086 -1.077 65 HH22 ARG 6 2HH2 ARG 6 15.892 4.510 -0.097 66 H LYS 7 H LYS 7 13.197 1.531 -6.383 67 HA LYS 7 HA LYS 7 12.981 2.145 -9.256 68 HB2 LYS 7 2HB LYS 7 15.438 2.220 -7.502 69 HB3 LYS 7 3HB LYS 7 15.506 2.218 -9.260 70 HG2 LYS 7 2HG LYS 7 15.610 4.452 -8.901 71 HG3 LYS 7 3HG LYS 7 13.855 4.267 -8.954 72 HD2 LYS 7 2HD LYS 7 14.387 5.615 -7.055 73 HD3 LYS 7 3HD LYS 7 13.890 4.028 -6.462 74 HE2 LYS 7 2HE LYS 7 16.065 3.428 -5.887 75 HE3 LYS 7 3HE LYS 7 16.782 4.646 -6.941 76 HZ1 LYS 7 3HZ LYS 7 15.126 5.806 -4.923 77 HZ2 LYS 7 1HZ LYS 7 16.736 6.143 -5.319 78 HZ3 LYS 7 2HZ LYS 7 16.374 4.881 -4.254 79 H ARG 8 H ARG 8 12.838 -0.237 -7.063 80 HA ARG 8 HA ARG 8 14.545 -2.215 -8.208 81 HB2 ARG 8 2HB ARG 8 12.385 -2.174 -6.158 82 HB3 ARG 8 3HB ARG 8 12.790 -3.723 -6.887 83 HG2 ARG 8 2HG ARG 8 14.186 -3.739 -5.085 84 HG3 ARG 8 3HG ARG 8 15.242 -2.998 -6.290 85 HD2 ARG 8 2HD ARG 8 15.083 -0.911 -5.345 86 HD3 ARG 8 3HD ARG 8 13.505 -1.239 -4.630 87 HE ARG 8 HE ARG 8 14.568 -1.973 -2.750 88 HH11 ARG 8 1HH1 ARG 8 16.825 -2.021 -5.400 89 HH12 ARG 8 2HH1 ARG 8 18.182 -2.439 -4.407 90 HH21 ARG 8 1HH2 ARG 8 16.346 -2.523 -1.432 91 HH22 ARG 8 2HH2 ARG 8 17.909 -2.725 -2.150 92 H TRP 9 H TRP 9 11.057 -1.566 -8.410 93 HA TRP 9 HA TRP 9 10.979 -3.259 -10.822 94 HB2 TRP 9 2HB TRP 9 9.117 -3.058 -8.507 95 HB3 TRP 9 3HB TRP 9 8.409 -3.309 -10.101 96 HD1 TRP 9 HD1 TRP 9 11.118 -4.964 -7.862 97 HE1 TRP 9 HE1 TRP 9 11.046 -7.502 -8.286 98 HE3 TRP 9 HE3 TRP 9 7.550 -5.076 -11.522 99 HZ2 TRP 9 HZ2 TRP 9 9.661 -9.312 -9.952 100 HZ3 TRP 9 HZ3 TRP 9 6.909 -7.251 -12.478 101 HH2 TRP 9 HH2 TRP 9 7.944 -9.323 -11.709 102 H ILE 10 H ILE 10 11.676 -1.009 -11.646 103 HA ILE 10 HA ILE 10 9.882 1.137 -11.746 104 HB ILE 10 HB ILE 10 11.816 0.427 -13.946 105 HG12 ILE 10 2HG1 ILE 10 13.007 2.274 -12.189 106 HG13 ILE 10 3HG1 ILE 10 12.348 1.001 -11.167 107 HG21 ILE 10 1HG2 ILE 10 10.252 2.801 -13.185 108 HG22 ILE 10 2HG2 ILE 10 11.924 3.105 -13.652 109 HG23 ILE 10 3HG2 ILE 10 10.833 2.281 -14.766 110 HD11 ILE 10 3HD1 ILE 10 13.731 -0.604 -12.046 111 HD12 ILE 10 1HD1 ILE 10 13.960 0.268 -13.561 112 HD13 ILE 10 2HD1 ILE 10 14.767 0.822 -12.093 113 H PHE 11 H PHE 11 9.386 -1.894 -12.898 114 HA PHE 11 HA PHE 11 7.820 -1.022 -15.221 115 HB2 PHE 11 2HB PHE 11 7.633 -3.731 -15.263 116 HB3 PHE 11 3HB PHE 11 8.902 -2.819 -16.074 117 HD1 PHE 11 HD2 PHE 11 10.911 -2.180 -14.369 118 HD2 PHE 11 HD1 PHE 11 8.321 -5.543 -14.056 119 HE1 PHE 11 HE2 PHE 11 12.610 -3.360 -13.037 120 HE2 PHE 11 HE1 PHE 11 10.015 -6.728 -12.723 121 HZ PHE 11 HZ PHE 11 12.163 -5.637 -12.212 122 H ILE 12 H ILE 12 7.444 -3.486 -12.668 123 HA ILE 12 HA ILE 12 4.809 -2.444 -12.021 124 HB ILE 12 HB ILE 12 3.958 -4.916 -12.158 125 HG12 ILE 12 2HG1 ILE 12 6.479 -5.325 -13.152 126 HG13 ILE 12 3HG1 ILE 12 5.106 -6.395 -13.417 127 HG21 ILE 12 1HG2 ILE 12 2.907 -3.137 -13.357 128 HG22 ILE 12 2HG2 ILE 12 4.231 -3.068 -14.520 129 HG23 ILE 12 3HG2 ILE 12 3.162 -4.470 -14.484 130 HD11 ILE 12 3HD1 ILE 12 5.746 -4.120 -15.263 131 HD12 ILE 12 1HD1 ILE 12 6.450 -5.726 -15.450 132 HD13 ILE 12 2HD1 ILE 12 4.703 -5.512 -15.553 Start of MODEL 7 1 H1 TYR 1 H TYR 1 1.712 -0.632 0.976 2 HA TYR 1 HA TYR 1 1.574 0.149 -1.726 3 HB2 TYR 1 2HB TYR 1 3.149 1.741 -1.991 4 HB3 TYR 1 3HB TYR 1 2.922 2.032 -0.270 5 HD1 TYR 1 HD1 TYR 1 5.118 0.576 -2.812 6 HD2 TYR 1 HD2 TYR 1 4.574 1.286 1.348 7 HE1 TYR 1 HE1 TYR 1 7.484 0.033 -2.416 8 HE2 TYR 1 HE2 TYR 1 6.939 0.746 1.755 9 HH TYR 1 HH TYR 1 8.752 -0.862 0.199 10 H VAL 2 H VAL 2 3.435 -0.783 -3.011 11 HA VAL 2 HA VAL 2 3.808 -3.483 -2.300 12 HB VAL 2 HB VAL 2 3.859 -2.445 -4.641 13 HG11 VAL 2 1HG1 VAL 2 5.540 -1.124 -5.245 14 HG12 VAL 2 2HG1 VAL 2 6.107 -1.160 -3.574 15 HG13 VAL 2 3HG1 VAL 2 6.728 -2.327 -4.742 16 HG21 VAL 2 3HG2 VAL 2 6.103 -4.172 -4.851 17 HG22 VAL 2 1HG2 VAL 2 5.072 -4.769 -3.551 18 HG23 VAL 2 2HG2 VAL 2 4.406 -4.532 -5.167 19 H LEU 3 H LEU 3 6.645 -3.562 -3.253 20 HA LEU 3 HA LEU 3 8.003 -2.608 -0.826 21 HB2 LEU 3 2HB LEU 3 9.155 -4.651 -0.545 22 HB3 LEU 3 3HB LEU 3 7.447 -5.050 -0.725 23 HG LEU 3 HG LEU 3 8.738 -6.674 -1.914 24 HD11 LEU 3 1HD1 LEU 3 7.748 -4.868 -4.085 25 HD12 LEU 3 2HD1 LEU 3 6.628 -5.609 -2.944 26 HD13 LEU 3 3HD1 LEU 3 7.649 -6.624 -3.961 27 HD21 LEU 3 3HD2 LEU 3 9.887 -4.780 -3.858 28 HD22 LEU 3 1HD2 LEU 3 10.559 -6.262 -3.178 29 HD23 LEU 3 2HD2 LEU 3 10.609 -4.764 -2.248 30 H TRP 4 H TRP 4 8.021 -3.156 -4.223 31 HA TRP 4 HA TRP 4 10.739 -2.025 -4.382 32 HB2 TRP 4 2HB TRP 4 10.652 -3.174 -6.741 33 HB3 TRP 4 3HB TRP 4 11.057 -4.119 -5.311 34 HD1 TRP 4 HD1 TRP 4 9.982 -6.421 -5.569 35 HE1 TRP 4 HE1 TRP 4 7.684 -7.317 -6.305 36 HE3 TRP 4 HE3 TRP 4 7.781 -2.005 -6.905 37 HZ2 TRP 4 HZ2 TRP 4 5.259 -6.287 -7.318 38 HZ3 TRP 4 HZ3 TRP 4 5.470 -2.047 -7.749 39 HH2 TRP 4 HH2 TRP 4 4.237 -4.145 -7.951 40 H LYS 5 H LYS 5 8.235 -0.575 -4.221 41 HA LYS 5 HA LYS 5 7.495 0.341 -6.818 42 HB2 LYS 5 2HB LYS 5 6.526 0.637 -4.196 43 HB3 LYS 5 3HB LYS 5 6.928 2.261 -4.738 44 HG2 LYS 5 2HG LYS 5 5.443 0.635 -6.680 45 HG3 LYS 5 3HG LYS 5 4.568 1.033 -5.200 46 HD2 LYS 5 2HD LYS 5 4.175 3.071 -5.993 47 HD3 LYS 5 3HD LYS 5 5.912 3.375 -6.056 48 HE2 LYS 5 2HE LYS 5 4.963 3.754 -8.237 49 HE3 LYS 5 3HE LYS 5 5.975 2.312 -8.289 50 HZ1 LYS 5 3HZ LYS 5 4.082 1.657 -9.404 51 HZ2 LYS 5 1HZ LYS 5 3.038 2.514 -8.385 52 HZ3 LYS 5 2HZ LYS 5 3.770 1.090 -7.841 53 H ARG 6 H ARG 6 10.246 0.819 -5.029 54 HA ARG 6 HA ARG 6 10.726 3.585 -5.585 55 HB2 ARG 6 2HB ARG 6 12.613 1.367 -4.774 56 HB3 ARG 6 3HB ARG 6 13.048 3.068 -4.862 57 HG2 ARG 6 2HG ARG 6 10.705 2.793 -3.260 58 HG3 ARG 6 3HG ARG 6 11.936 1.663 -2.693 59 HD2 ARG 6 2HD ARG 6 13.547 3.473 -2.516 60 HD3 ARG 6 3HD ARG 6 12.362 4.612 -3.155 61 HE ARG 6 HE ARG 6 11.133 3.569 -0.974 62 HH11 ARG 6 1HH1 ARG 6 14.224 5.076 -1.514 63 HH12 ARG 6 2HH1 ARG 6 14.325 5.741 0.083 64 HH21 ARG 6 1HH2 ARG 6 11.254 4.439 1.131 65 HH22 ARG 6 2HH2 ARG 6 12.636 5.377 1.587 66 H LYS 7 H LYS 7 13.265 1.409 -6.444 67 HA LYS 7 HA LYS 7 12.911 2.082 -9.289 68 HB2 LYS 7 2HB LYS 7 15.454 2.137 -7.661 69 HB3 LYS 7 3HB LYS 7 15.427 2.189 -9.419 70 HG2 LYS 7 2HG LYS 7 15.533 4.412 -8.994 71 HG3 LYS 7 3HG LYS 7 13.779 4.212 -8.965 72 HD2 LYS 7 2HD LYS 7 14.402 5.507 -7.054 73 HD3 LYS 7 3HD LYS 7 13.938 3.901 -6.488 74 HE2 LYS 7 2HE LYS 7 16.138 3.293 -6.034 75 HE3 LYS 7 3HE LYS 7 16.802 4.541 -7.088 76 HZ1 LYS 7 3HZ LYS 7 17.156 5.246 -4.879 77 HZ2 LYS 7 1HZ LYS 7 15.566 4.896 -4.418 78 HZ3 LYS 7 2HZ LYS 7 15.878 6.189 -5.463 79 H ARG 8 H ARG 8 12.856 -0.344 -7.159 80 HA ARG 8 HA ARG 8 14.539 -2.287 -8.400 81 HB2 ARG 8 2HB ARG 8 12.462 -2.292 -6.271 82 HB3 ARG 8 3HB ARG 8 12.816 -3.825 -7.056 83 HG2 ARG 8 2HG ARG 8 14.289 -3.908 -5.321 84 HG3 ARG 8 3HG ARG 8 15.301 -3.138 -6.545 85 HD2 ARG 8 2HD ARG 8 15.203 -1.082 -5.528 86 HD3 ARG 8 3HD ARG 8 13.650 -1.417 -4.763 87 HE ARG 8 HE ARG 8 15.345 -3.141 -3.537 88 HH11 ARG 8 1HH1 ARG 8 15.382 0.297 -4.085 89 HH12 ARG 8 2HH1 ARG 8 16.268 0.650 -2.639 90 HH21 ARG 8 1HH2 ARG 8 16.512 -2.690 -1.630 91 HH22 ARG 8 2HH2 ARG 8 16.911 -1.050 -1.244 92 H TRP 9 H TRP 9 11.032 -1.692 -8.448 93 HA TRP 9 HA TRP 9 10.892 -3.306 -10.911 94 HB2 TRP 9 2HB TRP 9 9.126 -3.219 -8.518 95 HB3 TRP 9 3HB TRP 9 8.351 -3.418 -10.087 96 HD1 TRP 9 HD1 TRP 9 11.134 -5.129 -7.993 97 HE1 TRP 9 HE1 TRP 9 11.093 -7.646 -8.531 98 HE3 TRP 9 HE3 TRP 9 7.511 -5.128 -11.600 99 HZ2 TRP 9 HZ2 TRP 9 9.708 -9.399 -10.257 100 HZ3 TRP 9 HZ3 TRP 9 6.887 -7.267 -12.645 101 HH2 TRP 9 HH2 TRP 9 7.964 -9.356 -11.986 102 H ILE 10 H ILE 10 11.521 -1.006 -11.671 103 HA ILE 10 HA ILE 10 9.681 1.100 -11.641 104 HB ILE 10 HB ILE 10 11.553 0.505 -13.927 105 HG12 ILE 10 2HG1 ILE 10 12.752 2.324 -12.137 106 HG13 ILE 10 3HG1 ILE 10 12.170 0.985 -11.153 107 HG21 ILE 10 1HG2 ILE 10 10.038 2.868 -12.973 108 HG22 ILE 10 2HG2 ILE 10 11.642 3.144 -13.651 109 HG23 ILE 10 3HG2 ILE 10 10.402 2.342 -14.616 110 HD11 ILE 10 3HD1 ILE 10 14.563 0.960 -12.216 111 HD12 ILE 10 1HD1 ILE 10 13.600 -0.513 -12.106 112 HD13 ILE 10 2HD1 ILE 10 13.689 0.371 -13.630 113 H PHE 11 H PHE 11 9.212 -1.901 -12.883 114 HA PHE 11 HA PHE 11 7.513 -0.968 -15.091 115 HB2 PHE 11 2HB PHE 11 7.445 -3.649 -15.352 116 HB3 PHE 11 3HB PHE 11 8.687 -2.642 -16.088 117 HD1 PHE 11 HD2 PHE 11 10.704 -2.110 -14.374 118 HD2 PHE 11 HD1 PHE 11 8.167 -5.526 -14.272 119 HE1 PHE 11 HE2 PHE 11 12.437 -3.356 -13.151 120 HE2 PHE 11 HE1 PHE 11 9.897 -6.778 -13.048 121 HZ PHE 11 HZ PHE 11 12.035 -5.693 -12.487 122 H ILE 12 H ILE 12 7.339 -3.717 -12.833 123 HA ILE 12 HA ILE 12 4.590 -2.901 -12.173 124 HB ILE 12 HB ILE 12 5.137 -5.804 -12.192 125 HG12 ILE 12 2HG1 ILE 12 6.231 -5.102 -14.281 126 HG13 ILE 12 3HG1 ILE 12 4.762 -6.016 -14.605 127 HG21 ILE 12 1HG2 ILE 12 2.840 -4.016 -12.950 128 HG22 ILE 12 2HG2 ILE 12 2.819 -5.762 -13.196 129 HG23 ILE 12 3HG2 ILE 12 2.967 -5.103 -11.567 130 HD11 ILE 12 3HD1 ILE 12 5.484 -3.434 -15.513 131 HD12 ILE 12 1HD1 ILE 12 4.030 -4.365 -15.871 132 HD13 ILE 12 2HD1 ILE 12 4.062 -3.279 -14.481 Start of MODEL 8 1 H1 TYR 1 H TYR 1 1.906 -0.168 1.228 2 HA TYR 1 HA TYR 1 1.485 -0.105 -1.688 3 HB2 TYR 1 2HB TYR 1 3.054 1.501 -1.892 4 HB3 TYR 1 3HB TYR 1 2.792 1.764 -0.172 5 HD1 TYR 1 HD2 TYR 1 5.044 0.356 -2.692 6 HD2 TYR 1 HD1 TYR 1 4.416 1.003 1.466 7 HE1 TYR 1 HE2 TYR 1 7.404 -0.185 -2.257 8 HE2 TYR 1 HE1 TYR 1 6.774 0.464 1.912 9 HH TYR 1 HH TYR 1 8.614 -0.732 0.893 10 H VAL 2 H VAL 2 3.377 -1.019 -2.937 11 HA VAL 2 HA VAL 2 3.747 -3.724 -2.239 12 HB VAL 2 HB VAL 2 3.840 -2.668 -4.571 13 HG11 VAL 2 1HG1 VAL 2 6.710 -2.534 -4.612 14 HG12 VAL 2 2HG1 VAL 2 5.526 -1.332 -5.129 15 HG13 VAL 2 3HG1 VAL 2 6.060 -1.380 -3.448 16 HG21 VAL 2 3HG2 VAL 2 4.408 -4.749 -5.099 17 HG22 VAL 2 1HG2 VAL 2 6.097 -4.381 -4.749 18 HG23 VAL 2 2HG2 VAL 2 5.045 -4.995 -3.473 19 H LEU 3 H LEU 3 6.605 -3.772 -3.139 20 HA LEU 3 HA LEU 3 7.908 -2.835 -0.675 21 HB2 LEU 3 2HB LEU 3 9.068 -4.872 -0.391 22 HB3 LEU 3 3HB LEU 3 7.367 -5.281 -0.609 23 HG LEU 3 HG LEU 3 8.694 -6.884 -1.788 24 HD11 LEU 3 1HD1 LEU 3 7.730 -5.064 -3.959 25 HD12 LEU 3 2HD1 LEU 3 6.595 -5.828 -2.847 26 HD13 LEU 3 3HD1 LEU 3 7.645 -6.823 -3.856 27 HD21 LEU 3 3HD2 LEU 3 9.864 -4.962 -3.690 28 HD22 LEU 3 1HD2 LEU 3 10.535 -6.446 -3.014 29 HD23 LEU 3 2HD2 LEU 3 10.556 -4.958 -2.067 30 H TRP 4 H TRP 4 7.996 -3.345 -4.076 31 HA TRP 4 HA TRP 4 10.711 -2.200 -4.169 32 HB2 TRP 4 2HB TRP 4 10.668 -3.318 -6.547 33 HB3 TRP 4 3HB TRP 4 11.058 -4.277 -5.122 34 HD1 TRP 4 HD1 TRP 4 10.000 -6.582 -5.417 35 HE1 TRP 4 HE1 TRP 4 7.720 -7.484 -6.201 36 HE3 TRP 4 HE3 TRP 4 7.796 -2.166 -6.750 37 HZ2 TRP 4 HZ2 TRP 4 5.307 -6.458 -7.246 38 HZ3 TRP 4 HZ3 TRP 4 5.500 -2.213 -7.634 39 HH2 TRP 4 HH2 TRP 4 4.283 -4.316 -7.877 40 H LYS 5 H LYS 5 8.214 -0.750 -4.029 41 HA LYS 5 HA LYS 5 7.551 0.205 -6.646 42 HB2 LYS 5 2HB LYS 5 6.453 0.406 -4.060 43 HB3 LYS 5 3HB LYS 5 6.829 2.052 -4.554 44 HG2 LYS 5 2HG LYS 5 5.521 0.497 -6.642 45 HG3 LYS 5 3HG LYS 5 4.550 0.670 -5.178 46 HD2 LYS 5 2HD LYS 5 4.414 2.957 -5.376 47 HD3 LYS 5 3HD LYS 5 5.918 3.074 -6.293 48 HE2 LYS 5 2HE LYS 5 4.559 3.356 -8.058 49 HE3 LYS 5 3HE LYS 5 4.380 1.604 -7.981 50 HZ1 LYS 5 3HZ LYS 5 2.242 2.759 -8.110 51 HZ2 LYS 5 1HZ LYS 5 2.577 3.556 -6.655 52 HZ3 LYS 5 2HZ LYS 5 2.389 1.875 -6.675 53 H ARG 6 H ARG 6 10.211 0.670 -4.738 54 HA ARG 6 HA ARG 6 10.651 3.467 -5.161 55 HB2 ARG 6 2HB ARG 6 11.687 2.347 -3.272 56 HB3 ARG 6 3HB ARG 6 12.539 1.250 -4.351 57 HG2 ARG 6 2HG ARG 6 13.846 3.199 -3.354 58 HG3 ARG 6 3HG ARG 6 13.995 2.914 -5.089 59 HD2 ARG 6 2HD ARG 6 13.696 5.313 -4.438 60 HD3 ARG 6 3HD ARG 6 12.508 4.704 -5.589 61 HE ARG 6 HE ARG 6 11.619 4.492 -2.880 62 HH11 ARG 6 1HH1 ARG 6 11.940 6.660 -5.585 63 HH12 ARG 6 2HH1 ARG 6 10.642 7.691 -5.081 64 HH21 ARG 6 1HH2 ARG 6 9.908 5.841 -2.206 65 HH22 ARG 6 2HH2 ARG 6 9.487 7.224 -3.158 66 H LYS 7 H LYS 7 13.201 1.273 -6.033 67 HA LYS 7 HA LYS 7 12.984 2.123 -8.843 68 HB2 LYS 7 2HB LYS 7 15.546 1.907 -7.250 69 HB3 LYS 7 3HB LYS 7 15.413 2.365 -8.943 70 HG2 LYS 7 2HG LYS 7 14.466 4.434 -8.435 71 HG3 LYS 7 3HG LYS 7 14.038 3.937 -6.796 72 HD2 LYS 7 2HD LYS 7 16.876 4.204 -7.774 73 HD3 LYS 7 3HD LYS 7 15.998 5.498 -6.956 74 HE2 LYS 7 2HE LYS 7 15.928 2.906 -5.582 75 HE3 LYS 7 3HE LYS 7 17.532 3.625 -5.712 76 HZ1 LYS 7 3HZ LYS 7 15.626 4.239 -3.850 77 HZ2 LYS 7 1HZ LYS 7 15.567 5.539 -4.931 78 HZ3 LYS 7 2HZ LYS 7 17.026 5.131 -4.180 79 H ARG 8 H ARG 8 12.892 -0.413 -6.801 80 HA ARG 8 HA ARG 8 14.556 -2.307 -8.132 81 HB2 ARG 8 2HB ARG 8 12.485 -2.388 -6.005 82 HB3 ARG 8 3HB ARG 8 12.797 -3.887 -6.871 83 HG2 ARG 8 2HG ARG 8 14.136 -3.799 -4.872 84 HG3 ARG 8 3HG ARG 8 15.179 -3.701 -6.292 85 HD2 ARG 8 2HD ARG 8 15.851 -1.603 -5.814 86 HD3 ARG 8 3HD ARG 8 14.260 -1.118 -5.230 87 HE ARG 8 HE ARG 8 14.947 -1.593 -3.106 88 HH11 ARG 8 1HH1 ARG 8 17.073 -3.187 -5.355 89 HH12 ARG 8 2HH1 ARG 8 18.174 -3.729 -4.132 90 HH21 ARG 8 1HH2 ARG 8 16.389 -2.300 -1.486 91 HH22 ARG 8 2HH2 ARG 8 17.783 -3.224 -1.931 92 H TRP 9 H TRP 9 11.066 -1.643 -8.192 93 HA TRP 9 HA TRP 9 10.919 -3.161 -10.715 94 HB2 TRP 9 2HB TRP 9 9.122 -3.129 -8.340 95 HB3 TRP 9 3HB TRP 9 8.371 -3.269 -9.927 96 HD1 TRP 9 HD1 TRP 9 11.131 -5.073 -7.876 97 HE1 TRP 9 HE1 TRP 9 11.054 -7.574 -8.479 98 HE3 TRP 9 HE3 TRP 9 7.487 -4.931 -11.459 99 HZ2 TRP 9 HZ2 TRP 9 9.636 -9.263 -10.242 100 HZ3 TRP 9 HZ3 TRP 9 6.829 -7.033 -12.556 101 HH2 TRP 9 HH2 TRP 9 7.883 -9.153 -11.959 102 H ILE 10 H ILE 10 11.592 -0.855 -11.392 103 HA ILE 10 HA ILE 10 9.793 1.287 -11.288 104 HB ILE 10 HB ILE 10 11.670 0.744 -13.583 105 HG12 ILE 10 2HG1 ILE 10 12.892 2.468 -11.716 106 HG13 ILE 10 3HG1 ILE 10 12.278 1.103 -10.789 107 HG21 ILE 10 1HG2 ILE 10 11.822 3.349 -13.271 108 HG22 ILE 10 2HG2 ILE 10 10.499 2.619 -14.179 109 HG23 ILE 10 3HG2 ILE 10 10.247 3.128 -12.510 110 HD11 ILE 10 3HD1 ILE 10 13.714 -0.366 -11.743 111 HD12 ILE 10 1HD1 ILE 10 13.765 0.504 -13.276 112 HD13 ILE 10 2HD1 ILE 10 14.680 1.102 -11.891 113 H PHE 11 H PHE 11 9.269 -1.653 -12.642 114 HA PHE 11 HA PHE 11 7.639 -0.618 -14.852 115 HB2 PHE 11 2HB PHE 11 7.458 -3.316 -15.092 116 HB3 PHE 11 3HB PHE 11 8.705 -2.342 -15.864 117 HD1 PHE 11 HD2 PHE 11 10.755 -1.826 -14.167 118 HD2 PHE 11 HD1 PHE 11 8.178 -5.212 -14.043 119 HE1 PHE 11 HE2 PHE 11 12.489 -3.098 -12.971 120 HE2 PHE 11 HE1 PHE 11 9.908 -6.488 -12.846 121 HZ PHE 11 HZ PHE 11 12.067 -5.432 -12.309 122 H ILE 12 H ILE 12 7.338 -3.273 -12.487 123 HA ILE 12 HA ILE 12 4.721 -2.292 -11.688 124 HB ILE 12 HB ILE 12 3.867 -4.747 -11.990 125 HG12 ILE 12 2HG1 ILE 12 6.363 -5.079 -13.072 126 HG13 ILE 12 3HG1 ILE 12 4.983 -6.128 -13.382 127 HG21 ILE 12 1HG2 ILE 12 2.790 -2.885 -13.030 128 HG22 ILE 12 2HG2 ILE 12 4.084 -2.730 -14.216 129 HG23 ILE 12 3HG2 ILE 12 3.014 -4.132 -14.256 130 HD11 ILE 12 3HD1 ILE 12 5.578 -3.723 -15.071 131 HD12 ILE 12 1HD1 ILE 12 6.279 -5.309 -15.391 132 HD13 ILE 12 2HD1 ILE 12 4.529 -5.092 -15.437 Start of MODEL 9 1 H1 TYR 1 H TYR 1 1.877 -0.312 1.102 2 HA TYR 1 HA TYR 1 1.469 -0.108 -1.808 3 HB2 TYR 1 2HB TYR 1 3.044 1.491 -2.023 4 HB3 TYR 1 3HB TYR 1 2.781 1.768 -0.305 5 HD1 TYR 1 HD2 TYR 1 5.031 0.334 -2.812 6 HD2 TYR 1 HD1 TYR 1 4.400 1.012 1.341 7 HE1 TYR 1 HE2 TYR 1 7.388 -0.212 -2.370 8 HE2 TYR 1 HE1 TYR 1 6.756 0.469 1.794 9 HH TYR 1 HH TYR 1 8.956 0.536 0.424 10 H VAL 2 H VAL 2 3.359 -1.037 -3.049 11 HA VAL 2 HA VAL 2 3.719 -3.737 -2.332 12 HB VAL 2 HB VAL 2 3.818 -2.698 -4.671 13 HG11 VAL 2 1HG1 VAL 2 6.040 -1.410 -3.555 14 HG12 VAL 2 2HG1 VAL 2 6.689 -2.575 -4.711 15 HG13 VAL 2 3HG1 VAL 2 5.510 -1.373 -5.236 16 HG21 VAL 2 3HG2 VAL 2 6.069 -4.422 -4.835 17 HG22 VAL 2 1HG2 VAL 2 5.012 -5.021 -3.557 18 HG23 VAL 2 2HG2 VAL 2 4.379 -4.785 -5.186 19 H LEU 3 H LEU 3 6.578 -3.802 -3.228 20 HA LEU 3 HA LEU 3 7.881 -2.852 -0.770 21 HB2 LEU 3 2HB LEU 3 9.034 -4.892 -0.470 22 HB3 LEU 3 3HB LEU 3 7.332 -5.296 -0.687 23 HG LEU 3 HG LEU 3 8.654 -6.913 -1.853 24 HD11 LEU 3 1HD1 LEU 3 7.606 -6.861 -3.922 25 HD12 LEU 3 2HD1 LEU 3 7.699 -5.104 -4.038 26 HD13 LEU 3 3HD1 LEU 3 6.559 -5.854 -2.921 27 HD21 LEU 3 3HD2 LEU 3 10.498 -6.490 -3.079 28 HD22 LEU 3 1HD2 LEU 3 10.522 -4.994 -2.145 29 HD23 LEU 3 2HD2 LEU 3 9.832 -5.008 -3.768 30 H TRP 4 H TRP 4 7.972 -3.387 -4.166 31 HA TRP 4 HA TRP 4 10.691 -2.252 -4.265 32 HB2 TRP 4 2HB TRP 4 10.646 -3.387 -6.634 33 HB3 TRP 4 3HB TRP 4 11.031 -4.337 -5.202 34 HD1 TRP 4 HD1 TRP 4 9.964 -6.641 -5.483 35 HE1 TRP 4 HE1 TRP 4 7.682 -7.539 -6.263 36 HE3 TRP 4 HE3 TRP 4 7.779 -2.225 -6.849 37 HZ2 TRP 4 HZ2 TRP 4 5.274 -6.511 -7.319 38 HZ3 TRP 4 HZ3 TRP 4 5.484 -2.270 -7.735 39 HH2 TRP 4 HH2 TRP 4 4.259 -4.370 -7.965 40 H LYS 5 H LYS 5 8.199 -0.792 -4.138 41 HA LYS 5 HA LYS 5 7.543 0.147 -6.761 42 HB2 LYS 5 2HB LYS 5 6.443 0.371 -4.178 43 HB3 LYS 5 3HB LYS 5 6.825 2.011 -4.684 44 HG2 LYS 5 2HG LYS 5 5.481 0.376 -6.716 45 HG3 LYS 5 3HG LYS 5 4.526 0.714 -5.271 46 HD2 LYS 5 2HD LYS 5 5.237 3.152 -5.597 47 HD3 LYS 5 3HD LYS 5 5.743 2.656 -7.214 48 HE2 LYS 5 2HE LYS 5 3.632 2.535 -7.958 49 HE3 LYS 5 3HE LYS 5 3.062 1.745 -6.489 50 HZ1 LYS 5 3HZ LYS 5 2.901 3.850 -5.401 51 HZ2 LYS 5 1HZ LYS 5 2.080 3.964 -6.876 52 HZ3 LYS 5 2HZ LYS 5 3.615 4.653 -6.707 53 H ARG 6 H ARG 6 10.202 0.616 -4.853 54 HA ARG 6 HA ARG 6 10.653 3.408 -5.294 55 HB2 ARG 6 2HB ARG 6 11.683 2.298 -3.397 56 HB3 ARG 6 3HB ARG 6 12.530 1.189 -4.467 57 HG2 ARG 6 2HG ARG 6 13.846 3.139 -3.483 58 HG3 ARG 6 3HG ARG 6 13.995 2.839 -5.216 59 HD2 ARG 6 2HD ARG 6 13.708 5.245 -4.586 60 HD3 ARG 6 3HD ARG 6 12.517 4.632 -5.733 61 HE ARG 6 HE ARG 6 10.883 5.022 -4.183 62 HH11 ARG 6 1HH1 ARG 6 13.979 5.032 -2.591 63 HH12 ARG 6 2HH1 ARG 6 13.342 5.565 -1.071 64 HH21 ARG 6 1HH2 ARG 6 10.032 5.725 -2.187 65 HH22 ARG 6 2HH2 ARG 6 11.097 5.959 -0.842 66 H LYS 7 H LYS 7 13.195 1.198 -6.149 67 HA LYS 7 HA LYS 7 12.984 2.031 -8.966 68 HB2 LYS 7 2HB LYS 7 15.543 1.816 -7.369 69 HB3 LYS 7 3HB LYS 7 15.414 2.264 -9.065 70 HG2 LYS 7 2HG LYS 7 14.471 4.339 -8.570 71 HG3 LYS 7 3HG LYS 7 14.044 3.854 -6.927 72 HD2 LYS 7 2HD LYS 7 16.882 4.107 -7.912 73 HD3 LYS 7 3HD LYS 7 16.008 5.408 -7.099 74 HE2 LYS 7 2HE LYS 7 15.930 2.826 -5.708 75 HE3 LYS 7 3HE LYS 7 17.539 3.533 -5.849 76 HZ1 LYS 7 3HZ LYS 7 17.049 5.030 -4.306 77 HZ2 LYS 7 1HZ LYS 7 15.618 4.181 -3.999 78 HZ3 LYS 7 2HZ LYS 7 15.614 5.481 -5.080 79 H ARG 8 H ARG 8 12.881 -0.492 -6.906 80 HA ARG 8 HA ARG 8 14.540 -2.400 -8.224 81 HB2 ARG 8 2HB ARG 8 12.467 -2.460 -6.097 82 HB3 ARG 8 3HB ARG 8 12.773 -3.965 -6.954 83 HG2 ARG 8 2HG ARG 8 14.111 -3.870 -4.955 84 HG3 ARG 8 3HG ARG 8 15.156 -3.786 -6.375 85 HD2 ARG 8 2HD ARG 8 15.831 -1.684 -5.915 86 HD3 ARG 8 3HD ARG 8 14.244 -1.195 -5.322 87 HE ARG 8 HE ARG 8 15.441 -2.973 -3.491 88 HH11 ARG 8 1HH1 ARG 8 15.707 0.291 -4.673 89 HH12 ARG 8 2HH1 ARG 8 16.379 0.908 -3.200 90 HH21 ARG 8 1HH2 ARG 8 16.325 -2.172 -1.546 91 HH22 ARG 8 2HH2 ARG 8 16.731 -0.494 -1.422 92 H TRP 9 H TRP 9 11.052 -1.724 -8.291 93 HA TRP 9 HA TRP 9 10.901 -3.258 -10.804 94 HB2 TRP 9 2HB TRP 9 9.102 -3.204 -8.431 95 HB3 TRP 9 3HB TRP 9 8.352 -3.352 -10.018 96 HD1 TRP 9 HD1 TRP 9 11.104 -5.152 -7.952 97 HE1 TRP 9 HE1 TRP 9 11.018 -7.657 -8.538 98 HE3 TRP 9 HE3 TRP 9 7.464 -5.021 -11.539 99 HZ2 TRP 9 HZ2 TRP 9 9.595 -9.352 -10.289 100 HZ3 TRP 9 HZ3 TRP 9 6.799 -7.128 -12.622 101 HH2 TRP 9 HH2 TRP 9 7.844 -9.248 -12.009 102 H ILE 10 H ILE 10 11.584 -0.960 -11.496 103 HA ILE 10 HA ILE 10 9.794 1.189 -11.409 104 HB ILE 10 HB ILE 10 11.672 0.623 -13.697 105 HG12 ILE 10 2HG1 ILE 10 12.895 2.357 -11.839 106 HG13 ILE 10 3HG1 ILE 10 12.277 0.999 -10.906 107 HG21 ILE 10 1HG2 ILE 10 10.262 3.024 -12.638 108 HG22 ILE 10 2HG2 ILE 10 11.833 3.227 -13.412 109 HG23 ILE 10 3HG2 ILE 10 10.498 2.498 -14.305 110 HD11 ILE 10 3HD1 ILE 10 14.668 0.904 -11.871 111 HD12 ILE 10 1HD1 ILE 10 13.636 -0.522 -11.979 112 HD13 ILE 10 2HD1 ILE 10 13.859 0.516 -13.389 113 H PHE 11 H PHE 11 9.259 -1.758 -12.742 114 HA PHE 11 HA PHE 11 7.636 -0.732 -14.962 115 HB2 PHE 11 2HB PHE 11 7.445 -3.431 -15.184 116 HB3 PHE 11 3HB PHE 11 8.696 -2.467 -15.961 117 HD1 PHE 11 HD2 PHE 11 10.747 -1.947 -14.266 118 HD2 PHE 11 HD1 PHE 11 8.157 -5.321 -14.120 119 HE1 PHE 11 HE2 PHE 11 12.474 -3.217 -13.059 120 HE2 PHE 11 HE1 PHE 11 9.880 -6.596 -12.912 121 HZ PHE 11 HZ PHE 11 12.042 -5.545 -12.381 122 H ILE 12 H ILE 12 7.322 -3.369 -12.580 123 HA ILE 12 HA ILE 12 4.708 -2.374 -11.791 124 HB ILE 12 HB ILE 12 3.845 -4.827 -12.077 125 HG12 ILE 12 2HG1 ILE 12 6.341 -5.176 -13.153 126 HG13 ILE 12 3HG1 ILE 12 4.958 -6.221 -13.458 127 HG21 ILE 12 1HG2 ILE 12 4.071 -2.825 -14.315 128 HG22 ILE 12 2HG2 ILE 12 3.001 -4.225 -14.350 129 HG23 ILE 12 3HG2 ILE 12 2.773 -2.972 -13.131 130 HD11 ILE 12 3HD1 ILE 12 5.562 -3.829 -15.161 131 HD12 ILE 12 1HD1 ILE 12 6.262 -5.418 -15.470 132 HD13 ILE 12 2HD1 ILE 12 4.512 -5.199 -15.521 Start of MODEL 10 1 H1 TYR 1 H TYR 1 1.639 -0.679 1.161 2 HA TYR 1 HA TYR 1 1.268 -0.364 -1.743 3 HB2 TYR 1 2HB TYR 1 2.835 1.250 -1.892 4 HB3 TYR 1 3HB TYR 1 2.549 1.474 -0.170 5 HD1 TYR 1 HD1 TYR 1 4.839 0.129 -2.690 6 HD2 TYR 1 HD2 TYR 1 4.153 0.677 1.473 7 HE1 TYR 1 HE1 TYR 1 7.195 -0.415 -2.237 8 HE2 TYR 1 HE2 TYR 1 6.507 0.136 1.938 9 HH TYR 1 HH TYR 1 8.390 -1.414 0.326 10 H VAL 2 H VAL 2 3.178 -1.244 -2.988 11 HA VAL 2 HA VAL 2 3.548 -3.963 -2.348 12 HB VAL 2 HB VAL 2 3.668 -2.854 -4.654 13 HG11 VAL 2 1HG1 VAL 2 5.868 -1.585 -3.473 14 HG12 VAL 2 2HG1 VAL 2 6.538 -2.711 -4.655 15 HG13 VAL 2 3HG1 VAL 2 5.356 -1.501 -5.158 16 HG21 VAL 2 3HG2 VAL 2 5.931 -4.557 -4.842 17 HG22 VAL 2 1HG2 VAL 2 4.864 -5.200 -3.594 18 HG23 VAL 2 2HG2 VAL 2 4.248 -4.921 -5.223 19 H LEU 3 H LEU 3 6.418 -3.982 -3.211 20 HA LEU 3 HA LEU 3 7.685 -3.099 -0.710 21 HB2 LEU 3 2HB LEU 3 8.847 -5.140 -0.457 22 HB3 LEU 3 3HB LEU 3 7.151 -5.548 -0.707 23 HG LEU 3 HG LEU 3 8.498 -7.120 -1.905 24 HD11 LEU 3 1HD1 LEU 3 6.410 -6.045 -2.967 25 HD12 LEU 3 2HD1 LEU 3 7.476 -7.013 -3.985 26 HD13 LEU 3 3HD1 LEU 3 7.557 -5.252 -4.046 27 HD21 LEU 3 3HD2 LEU 3 9.686 -5.151 -3.747 28 HD22 LEU 3 1HD2 LEU 3 10.353 -6.648 -3.096 29 HD23 LEU 3 2HD2 LEU 3 10.357 -5.182 -2.116 30 H TRP 4 H TRP 4 7.819 -3.529 -4.119 31 HA TRP 4 HA TRP 4 10.532 -2.375 -4.151 32 HB2 TRP 4 2HB TRP 4 10.524 -3.439 -6.553 33 HB3 TRP 4 3HB TRP 4 10.898 -4.430 -5.146 34 HD1 TRP 4 HD1 TRP 4 9.850 -6.730 -5.509 35 HE1 TRP 4 HE1 TRP 4 7.584 -7.619 -6.344 36 HE3 TRP 4 HE3 TRP 4 7.651 -2.290 -6.767 37 HZ2 TRP 4 HZ2 TRP 4 5.181 -6.576 -7.397 38 HZ3 TRP 4 HZ3 TRP 4 5.367 -2.323 -7.682 39 HH2 TRP 4 HH2 TRP 4 4.160 -4.422 -7.990 40 H LYS 5 H LYS 5 8.030 -0.935 -4.010 41 HA LYS 5 HA LYS 5 7.400 0.078 -6.613 42 HB2 LYS 5 2HB LYS 5 6.264 0.215 -4.039 43 HB3 LYS 5 3HB LYS 5 6.641 1.873 -4.490 44 HG2 LYS 5 2HG LYS 5 5.313 0.246 -6.557 45 HG3 LYS 5 3HG LYS 5 4.349 0.635 -5.130 46 HD2 LYS 5 2HD LYS 5 4.047 2.721 -5.842 47 HD3 LYS 5 3HD LYS 5 5.788 2.960 -6.008 48 HE2 LYS 5 2HE LYS 5 4.487 1.332 -8.100 49 HE3 LYS 5 3HE LYS 5 4.063 3.043 -8.073 50 HZ1 LYS 5 3HZ LYS 5 6.055 2.339 -9.467 51 HZ2 LYS 5 1HZ LYS 5 6.881 2.160 -8.001 52 HZ3 LYS 5 2HZ LYS 5 6.259 3.669 -8.443 53 H ARG 6 H ARG 6 10.031 0.506 -4.658 54 HA ARG 6 HA ARG 6 10.466 3.314 -5.007 55 HB2 ARG 6 2HB ARG 6 11.479 2.139 -3.133 56 HB3 ARG 6 3HB ARG 6 12.359 1.089 -4.234 57 HG2 ARG 6 2HG ARG 6 13.648 2.995 -3.166 58 HG3 ARG 6 3HG ARG 6 13.790 2.810 -4.915 59 HD2 ARG 6 2HD ARG 6 12.586 4.707 -5.351 60 HD3 ARG 6 3HD ARG 6 11.656 4.589 -3.858 61 HE ARG 6 HE ARG 6 14.159 5.127 -2.986 62 HH11 ARG 6 1HH1 ARG 6 12.067 6.626 -5.330 63 HH12 ARG 6 2HH1 ARG 6 12.710 8.216 -5.080 64 HH21 ARG 6 1HH2 ARG 6 15.014 7.214 -2.648 65 HH22 ARG 6 2HH2 ARG 6 14.387 8.549 -3.555 66 H LYS 7 H LYS 7 13.037 1.154 -5.897 67 HA LYS 7 HA LYS 7 12.854 2.072 -8.689 68 HB2 LYS 7 2HB LYS 7 15.386 1.835 -7.052 69 HB3 LYS 7 3HB LYS 7 15.294 2.304 -8.744 70 HG2 LYS 7 2HG LYS 7 14.303 4.364 -8.237 71 HG3 LYS 7 3HG LYS 7 13.886 3.856 -6.599 72 HD2 LYS 7 2HD LYS 7 16.706 4.202 -7.613 73 HD3 LYS 7 3HD LYS 7 15.814 5.427 -6.708 74 HE2 LYS 7 2HE LYS 7 15.731 2.856 -5.385 75 HE3 LYS 7 3HE LYS 7 17.390 3.382 -5.664 76 HZ1 LYS 7 3HZ LYS 7 15.711 5.486 -4.686 77 HZ2 LYS 7 1HZ LYS 7 17.210 4.950 -4.116 78 HZ3 LYS 7 2HZ LYS 7 15.791 4.179 -3.616 79 H ARG 8 H ARG 8 12.743 -0.516 -6.711 80 HA ARG 8 HA ARG 8 14.430 -2.370 -8.070 81 HB2 ARG 8 2HB ARG 8 12.316 -2.525 -5.982 82 HB3 ARG 8 3HB ARG 8 12.689 -3.997 -6.868 83 HG2 ARG 8 2HG ARG 8 13.973 -3.906 -4.829 84 HG3 ARG 8 3HG ARG 8 15.047 -3.770 -6.222 85 HD2 ARG 8 2HD ARG 8 15.647 -1.651 -5.720 86 HD3 ARG 8 3HD ARG 8 14.041 -1.226 -5.129 87 HE ARG 8 HE ARG 8 15.291 -3.012 -3.336 88 HH11 ARG 8 1HH1 ARG 8 15.417 0.294 -4.419 89 HH12 ARG 8 2HH1 ARG 8 16.045 0.897 -2.922 90 HH21 ARG 8 1HH2 ARG 8 16.119 -2.230 -1.360 91 HH22 ARG 8 2HH2 ARG 8 16.445 -0.539 -1.182 92 H TRP 9 H TRP 9 10.939 -1.715 -8.152 93 HA TRP 9 HA TRP 9 10.824 -3.171 -10.712 94 HB2 TRP 9 2HB TRP 9 9.001 -3.202 -8.358 95 HB3 TRP 9 3HB TRP 9 8.268 -3.306 -9.956 96 HD1 TRP 9 HD1 TRP 9 11.009 -5.152 -7.917 97 HE1 TRP 9 HE1 TRP 9 10.947 -7.637 -8.582 98 HE3 TRP 9 HE3 TRP 9 7.409 -4.932 -11.540 99 HZ2 TRP 9 HZ2 TRP 9 9.556 -9.287 -10.402 100 HZ3 TRP 9 HZ3 TRP 9 6.771 -7.009 -12.696 101 HH2 TRP 9 HH2 TRP 9 7.824 -9.139 -12.137 102 H ILE 10 H ILE 10 11.497 -0.848 -11.326 103 HA ILE 10 HA ILE 10 9.690 1.286 -11.190 104 HB ILE 10 HB ILE 10 11.596 0.808 -13.475 105 HG12 ILE 10 2HG1 ILE 10 12.793 2.484 -11.551 106 HG13 ILE 10 3HG1 ILE 10 12.169 1.097 -10.665 107 HG21 ILE 10 1HG2 ILE 10 10.043 3.094 -12.449 108 HG22 ILE 10 2HG2 ILE 10 11.699 3.441 -12.942 109 HG23 ILE 10 3HG2 ILE 10 10.571 2.722 -14.090 110 HD11 ILE 10 3HD1 ILE 10 14.573 1.050 -11.624 111 HD12 ILE 10 1HD1 ILE 10 13.553 -0.383 -11.751 112 HD13 ILE 10 2HD1 ILE 10 13.766 0.675 -13.146 113 H PHE 11 H PHE 11 9.192 -1.621 -12.621 114 HA PHE 11 HA PHE 11 7.586 -0.538 -14.826 115 HB2 PHE 11 2HB PHE 11 7.417 -3.230 -15.134 116 HB3 PHE 11 3HB PHE 11 8.670 -2.233 -15.866 117 HD1 PHE 11 HD2 PHE 11 10.698 -1.752 -14.132 118 HD2 PHE 11 HD1 PHE 11 8.131 -5.148 -14.122 119 HE1 PHE 11 HE2 PHE 11 12.421 -3.047 -12.946 120 HE2 PHE 11 HE1 PHE 11 9.850 -6.448 -12.935 121 HZ PHE 11 HZ PHE 11 11.999 -5.398 -12.346 122 H ILE 12 H ILE 12 7.263 -3.252 -12.533 123 HA ILE 12 HA ILE 12 4.634 -2.299 -11.742 124 HB ILE 12 HB ILE 12 3.789 -4.745 -12.116 125 HG12 ILE 12 2HG1 ILE 12 6.301 -5.050 -13.170 126 HG13 ILE 12 3HG1 ILE 12 4.927 -6.092 -13.525 127 HG21 ILE 12 1HG2 ILE 12 2.722 -2.863 -13.126 128 HG22 ILE 12 2HG2 ILE 12 4.034 -2.675 -14.289 129 HG23 ILE 12 3HG2 ILE 12 2.970 -4.078 -14.380 130 HD11 ILE 12 3HD1 ILE 12 6.254 -5.221 -15.493 131 HD12 ILE 12 1HD1 ILE 12 4.504 -5.013 -15.562 132 HD13 ILE 12 2HD1 ILE 12 5.540 -3.647 -15.147 Start of MODEL 11 1 H1 TYR 1 H TYR 1 1.953 0.595 1.030 2 HA TYR 1 HA TYR 1 1.619 0.181 -1.812 3 HB2 TYR 1 2HB TYR 1 3.238 1.734 -2.054 4 HB3 TYR 1 3HB TYR 1 2.975 2.044 -0.342 5 HD1 TYR 1 HD1 TYR 1 5.200 0.516 -2.817 6 HD2 TYR 1 HD2 TYR 1 4.573 1.282 1.321 7 HE1 TYR 1 HE1 TYR 1 7.543 -0.075 -2.359 8 HE2 TYR 1 HE2 TYR 1 6.915 0.694 1.790 9 HH TYR 1 HH TYR 1 8.735 -0.984 0.244 10 H VAL 2 H VAL 2 3.490 -0.795 -3.053 11 HA VAL 2 HA VAL 2 3.787 -3.500 -2.324 12 HB VAL 2 HB VAL 2 3.910 -2.474 -4.668 13 HG11 VAL 2 1HG1 VAL 2 6.780 -2.417 -4.716 14 HG12 VAL 2 2HG1 VAL 2 5.628 -1.184 -5.232 15 HG13 VAL 2 3HG1 VAL 2 6.169 -1.240 -3.554 16 HG21 VAL 2 3HG2 VAL 2 4.424 -4.576 -5.171 17 HG22 VAL 2 1HG2 VAL 2 6.121 -4.248 -4.823 18 HG23 VAL 2 2HG2 VAL 2 5.052 -4.819 -3.542 19 H LEU 3 H LEU 3 6.645 -3.632 -3.221 20 HA LEU 3 HA LEU 3 7.969 -2.703 -0.766 21 HB2 LEU 3 2HB LEU 3 9.072 -4.768 -0.455 22 HB3 LEU 3 3HB LEU 3 7.361 -5.133 -0.672 23 HG LEU 3 HG LEU 3 8.645 -6.786 -1.828 24 HD11 LEU 3 1HD1 LEU 3 6.578 -5.688 -2.904 25 HD12 LEU 3 2HD1 LEU 3 7.604 -6.719 -3.901 26 HD13 LEU 3 3HD1 LEU 3 7.734 -4.965 -4.023 27 HD21 LEU 3 3HD2 LEU 3 9.871 -4.919 -3.751 28 HD22 LEU 3 1HD2 LEU 3 10.499 -6.414 -3.057 29 HD23 LEU 3 2HD2 LEU 3 10.560 -4.916 -2.127 30 H TRP 4 H TRP 4 8.045 -3.251 -4.160 31 HA TRP 4 HA TRP 4 10.790 -2.182 -4.264 32 HB2 TRP 4 2HB TRP 4 10.723 -3.331 -6.625 33 HB3 TRP 4 3HB TRP 4 11.084 -4.281 -5.187 34 HD1 TRP 4 HD1 TRP 4 9.967 -6.562 -5.458 35 HE1 TRP 4 HE1 TRP 4 7.665 -7.412 -6.236 36 HE3 TRP 4 HE3 TRP 4 7.882 -2.105 -6.848 37 HZ2 TRP 4 HZ2 TRP 4 5.281 -6.336 -7.298 38 HZ3 TRP 4 HZ3 TRP 4 5.587 -2.103 -7.735 39 HH2 TRP 4 HH2 TRP 4 4.315 -4.176 -7.955 40 H LYS 5 H LYS 5 8.333 -0.665 -4.148 41 HA LYS 5 HA LYS 5 7.700 0.271 -6.780 42 HB2 LYS 5 2HB LYS 5 6.585 0.519 -4.214 43 HB3 LYS 5 3HB LYS 5 7.026 2.153 -4.694 44 HG2 LYS 5 2HG LYS 5 5.629 2.097 -6.576 45 HG3 LYS 5 3HG LYS 5 5.452 0.342 -6.495 46 HD2 LYS 5 2HD LYS 5 4.063 0.471 -4.591 47 HD3 LYS 5 3HD LYS 5 4.484 2.161 -4.303 48 HE2 LYS 5 2HE LYS 5 3.202 2.903 -6.121 49 HE3 LYS 5 3HE LYS 5 3.101 1.288 -6.821 50 HZ1 LYS 5 3HZ LYS 5 1.157 2.408 -5.383 51 HZ2 LYS 5 1HZ LYS 5 1.976 1.567 -4.164 52 HZ3 LYS 5 2HZ LYS 5 1.380 0.736 -5.511 53 H ARG 6 H ARG 6 10.364 0.695 -4.867 54 HA ARG 6 HA ARG 6 10.875 3.474 -5.323 55 HB2 ARG 6 2HB ARG 6 11.879 2.355 -3.418 56 HB3 ARG 6 3HB ARG 6 12.702 1.220 -4.479 57 HG2 ARG 6 2HG ARG 6 14.058 3.150 -3.506 58 HG3 ARG 6 3HG ARG 6 14.208 2.828 -5.234 59 HD2 ARG 6 2HD ARG 6 13.975 5.244 -4.643 60 HD3 ARG 6 3HD ARG 6 12.761 4.646 -5.773 61 HE ARG 6 HE ARG 6 11.779 4.447 -3.142 62 HH11 ARG 6 1HH1 ARG 6 12.542 6.821 -5.571 63 HH12 ARG 6 2HH1 ARG 6 11.373 7.968 -5.004 64 HH21 ARG 6 1HH2 ARG 6 10.236 5.948 -2.386 65 HH22 ARG 6 2HH2 ARG 6 10.063 7.470 -3.192 66 H LYS 7 H LYS 7 13.368 1.203 -6.163 67 HA LYS 7 HA LYS 7 13.182 2.027 -8.983 68 HB2 LYS 7 2HB LYS 7 15.733 1.763 -7.380 69 HB3 LYS 7 3HB LYS 7 15.617 2.204 -9.079 70 HG2 LYS 7 2HG LYS 7 14.719 4.303 -8.596 71 HG3 LYS 7 3HG LYS 7 14.280 3.836 -6.952 72 HD2 LYS 7 2HD LYS 7 17.122 4.028 -7.939 73 HD3 LYS 7 3HD LYS 7 16.275 5.345 -7.124 74 HE2 LYS 7 2HE LYS 7 16.137 2.773 -5.727 75 HE3 LYS 7 3HE LYS 7 17.768 3.422 -5.885 76 HZ1 LYS 7 3HZ LYS 7 15.878 5.415 -5.094 77 HZ2 LYS 7 1HZ LYS 7 17.347 4.979 -4.376 78 HZ3 LYS 7 2HZ LYS 7 15.935 4.129 -3.996 79 H ARG 8 H ARG 8 13.021 -0.483 -6.911 80 HA ARG 8 HA ARG 8 14.638 -2.433 -8.218 81 HB2 ARG 8 2HB ARG 8 12.562 -2.437 -6.093 82 HB3 ARG 8 3HB ARG 8 12.837 -3.953 -6.941 83 HG2 ARG 8 2HG ARG 8 14.163 -3.814 -4.905 84 HG3 ARG 8 3HG ARG 8 15.192 -3.882 -6.337 85 HD2 ARG 8 2HD ARG 8 15.900 -1.720 -6.100 86 HD3 ARG 8 3HD ARG 8 14.420 -1.211 -5.289 87 HE ARG 8 HE ARG 8 16.807 -2.097 -4.048 88 HH11 ARG 8 1HH1 ARG 8 13.341 -2.235 -3.758 89 HH12 ARG 8 2HH1 ARG 8 13.363 -2.440 -2.037 90 HH21 ARG 8 1HH2 ARG 8 16.849 -2.366 -1.784 91 HH22 ARG 8 2HH2 ARG 8 15.359 -2.514 -0.916 92 H TRP 9 H TRP 9 11.166 -1.681 -8.290 93 HA TRP 9 HA TRP 9 10.982 -3.224 -10.795 94 HB2 TRP 9 2HB TRP 9 9.184 -3.117 -8.424 95 HB3 TRP 9 3HB TRP 9 8.432 -3.257 -10.011 96 HD1 TRP 9 HD1 TRP 9 11.141 -5.107 -7.933 97 HE1 TRP 9 HE1 TRP 9 11.000 -7.612 -8.507 98 HE3 TRP 9 HE3 TRP 9 7.508 -4.914 -11.524 99 HZ2 TRP 9 HZ2 TRP 9 9.542 -9.285 -10.251 100 HZ3 TRP 9 HZ3 TRP 9 6.797 -7.011 -12.597 101 HH2 TRP 9 HH2 TRP 9 7.794 -9.150 -11.973 102 H ILE 10 H ILE 10 11.716 -0.945 -11.499 103 HA ILE 10 HA ILE 10 9.975 1.244 -11.423 104 HB ILE 10 HB ILE 10 11.838 0.626 -13.710 105 HG12 ILE 10 2HG1 ILE 10 13.108 2.335 -11.866 106 HG13 ILE 10 3HG1 ILE 10 12.452 1.004 -10.919 107 HG21 ILE 10 1HG2 ILE 10 12.058 3.231 -13.420 108 HG22 ILE 10 2HG2 ILE 10 10.724 2.526 -14.331 109 HG23 ILE 10 3HG2 ILE 10 10.473 3.055 -12.668 110 HD11 ILE 10 3HD1 ILE 10 13.699 -0.590 -12.112 111 HD12 ILE 10 1HD1 ILE 10 14.110 0.566 -13.379 112 HD13 ILE 10 2HD1 ILE 10 14.810 0.736 -11.769 113 H PHE 11 H PHE 11 9.375 -1.697 -12.743 114 HA PHE 11 HA PHE 11 7.774 -0.647 -14.967 115 HB2 PHE 11 2HB PHE 11 7.523 -3.342 -15.175 116 HB3 PHE 11 3HB PHE 11 8.796 -2.409 -15.957 117 HD1 PHE 11 HD2 PHE 11 10.857 -1.927 -14.264 118 HD2 PHE 11 HD1 PHE 11 8.193 -5.242 -14.103 119 HE1 PHE 11 HE2 PHE 11 12.556 -3.229 -13.050 120 HE2 PHE 11 HE1 PHE 11 9.887 -6.549 -12.889 121 HZ PHE 11 HZ PHE 11 12.072 -5.543 -12.362 122 H ILE 12 H ILE 12 7.401 -3.266 -12.574 123 HA ILE 12 HA ILE 12 4.811 -2.208 -11.788 124 HB ILE 12 HB ILE 12 3.891 -4.641 -12.064 125 HG12 ILE 12 2HG1 ILE 12 6.379 -5.054 -13.136 126 HG13 ILE 12 3HG1 ILE 12 4.972 -6.068 -13.436 127 HG21 ILE 12 1HG2 ILE 12 2.866 -2.764 -13.128 128 HG22 ILE 12 2HG2 ILE 12 4.166 -2.658 -14.313 129 HG23 ILE 12 3HG2 ILE 12 3.060 -4.031 -14.339 130 HD11 ILE 12 3HD1 ILE 12 5.635 -3.701 -15.152 131 HD12 ILE 12 1HD1 ILE 12 6.295 -5.308 -15.452 132 HD13 ILE 12 2HD1 ILE 12 4.551 -5.046 -15.505 Start of MODEL 12 1 H1 TYR 1 H TYR 1 1.645 -0.053 0.919 2 HA TYR 1 HA TYR 1 1.282 -0.012 -2.005 3 HB2 TYR 1 2HB TYR 1 2.911 1.540 -2.198 4 HB3 TYR 1 3HB TYR 1 2.594 1.846 -0.494 5 HD1 TYR 1 HD1 TYR 1 4.898 0.326 -2.901 6 HD2 TYR 1 HD2 TYR 1 4.140 1.082 1.217 7 HE1 TYR 1 HE1 TYR 1 7.226 -0.262 -2.371 8 HE2 TYR 1 HE2 TYR 1 6.467 0.497 1.758 9 HH TYR 1 HH TYR 1 8.352 -0.489 0.953 10 H VAL 2 H VAL 2 3.196 -0.972 -3.201 11 HA VAL 2 HA VAL 2 3.472 -3.684 -2.490 12 HB VAL 2 HB VAL 2 3.668 -2.633 -4.818 13 HG11 VAL 2 1HG1 VAL 2 6.538 -2.578 -4.775 14 HG12 VAL 2 2HG1 VAL 2 5.405 -1.339 -5.316 15 HG13 VAL 2 3HG1 VAL 2 5.891 -1.412 -3.622 16 HG21 VAL 2 3HG2 VAL 2 5.881 -4.408 -4.924 17 HG22 VAL 2 1HG2 VAL 2 4.772 -4.990 -3.682 18 HG23 VAL 2 2HG2 VAL 2 4.195 -4.729 -5.329 19 H LEU 3 H LEU 3 6.356 -3.808 -3.299 20 HA LEU 3 HA LEU 3 7.604 -2.902 -0.795 21 HB2 LEU 3 2HB LEU 3 8.697 -4.970 -0.470 22 HB3 LEU 3 3HB LEU 3 6.994 -5.333 -0.743 23 HG LEU 3 HG LEU 3 8.313 -6.975 -1.875 24 HD11 LEU 3 1HD1 LEU 3 7.335 -6.887 -3.978 25 HD12 LEU 3 2HD1 LEU 3 7.472 -5.132 -4.079 26 HD13 LEU 3 3HD1 LEU 3 6.280 -5.862 -3.004 27 HD21 LEU 3 3HD2 LEU 3 10.236 -5.103 -2.096 28 HD22 LEU 3 1HD2 LEU 3 9.597 -5.088 -3.740 29 HD23 LEU 3 2HD2 LEU 3 10.204 -6.591 -3.043 30 H TRP 4 H TRP 4 7.785 -3.417 -4.189 31 HA TRP 4 HA TRP 4 10.531 -2.346 -4.198 32 HB2 TRP 4 2HB TRP 4 10.539 -3.473 -6.571 33 HB3 TRP 4 3HB TRP 4 10.855 -4.437 -5.131 34 HD1 TRP 4 HD1 TRP 4 9.749 -6.715 -5.460 35 HE1 TRP 4 HE1 TRP 4 7.473 -7.558 -6.317 36 HE3 TRP 4 HE3 TRP 4 7.705 -2.246 -6.869 37 HZ2 TRP 4 HZ2 TRP 4 5.123 -6.473 -7.442 38 HZ3 TRP 4 HZ3 TRP 4 5.439 -2.235 -7.828 39 HH2 TRP 4 HH2 TRP 4 4.176 -4.306 -8.108 40 H LYS 5 H LYS 5 8.078 -0.826 -4.142 41 HA LYS 5 HA LYS 5 7.526 0.133 -6.784 42 HB2 LYS 5 2HB LYS 5 6.329 0.355 -4.252 43 HB3 LYS 5 3HB LYS 5 6.781 1.994 -4.704 44 HG2 LYS 5 2HG LYS 5 5.444 1.952 -6.629 45 HG3 LYS 5 3HG LYS 5 5.270 0.196 -6.571 46 HD2 LYS 5 2HD LYS 5 3.810 0.299 -4.725 47 HD3 LYS 5 3HD LYS 5 4.233 1.978 -4.382 48 HE2 LYS 5 2HE LYS 5 3.212 1.694 -7.065 49 HE3 LYS 5 3HE LYS 5 2.072 1.044 -5.888 50 HZ1 LYS 5 3HZ LYS 5 1.463 3.223 -5.893 51 HZ2 LYS 5 1HZ LYS 5 3.019 3.793 -6.238 52 HZ3 LYS 5 2HZ LYS 5 2.633 3.281 -4.673 53 H ARG 6 H ARG 6 10.129 0.535 -4.790 54 HA ARG 6 HA ARG 6 10.651 3.321 -5.198 55 HB2 ARG 6 2HB ARG 6 11.590 2.171 -3.273 56 HB3 ARG 6 3HB ARG 6 12.461 1.063 -4.326 57 HG2 ARG 6 2HG ARG 6 13.784 2.961 -3.283 58 HG3 ARG 6 3HG ARG 6 13.958 2.721 -5.022 59 HD2 ARG 6 2HD ARG 6 12.821 4.638 -5.540 60 HD3 ARG 6 3HD ARG 6 11.857 4.593 -4.064 61 HE ARG 6 HE ARG 6 14.386 5.073 -3.185 62 HH11 ARG 6 1HH1 ARG 6 12.283 6.594 -5.506 63 HH12 ARG 6 2HH1 ARG 6 12.945 8.176 -5.263 64 HH21 ARG 6 1HH2 ARG 6 15.265 7.152 -2.856 65 HH22 ARG 6 2HH2 ARG 6 14.641 8.493 -3.757 66 H LYS 7 H LYS 7 13.172 1.061 -5.979 67 HA LYS 7 HA LYS 7 13.080 1.919 -8.794 68 HB2 LYS 7 2HB LYS 7 15.564 1.634 -7.093 69 HB3 LYS 7 3HB LYS 7 15.529 2.058 -8.799 70 HG2 LYS 7 2HG LYS 7 14.601 4.165 -8.372 71 HG3 LYS 7 3HG LYS 7 14.130 3.719 -6.731 72 HD2 LYS 7 2HD LYS 7 16.983 3.933 -7.687 73 HD3 LYS 7 3HD LYS 7 16.116 5.217 -6.840 74 HE2 LYS 7 2HE LYS 7 15.910 2.689 -5.447 75 HE3 LYS 7 3HE LYS 7 17.592 3.154 -5.697 76 HZ1 LYS 7 3HZ LYS 7 16.010 4.044 -3.697 77 HZ2 LYS 7 1HZ LYS 7 15.914 5.316 -4.809 78 HZ3 LYS 7 2HZ LYS 7 17.421 4.810 -4.231 79 H ARG 8 H ARG 8 12.872 -0.619 -6.742 80 HA ARG 8 HA ARG 8 14.507 -2.559 -8.034 81 HB2 ARG 8 2HB ARG 8 12.347 -2.597 -5.986 82 HB3 ARG 8 3HB ARG 8 12.696 -4.101 -6.827 83 HG2 ARG 8 2HG ARG 8 13.939 -3.997 -4.765 84 HG3 ARG 8 3HG ARG 8 15.046 -3.923 -6.137 85 HD2 ARG 8 2HD ARG 8 15.704 -1.819 -5.658 86 HD3 ARG 8 3HD ARG 8 14.093 -1.324 -5.140 87 HE ARG 8 HE ARG 8 14.930 -2.979 -3.156 88 HH11 ARG 8 1HH1 ARG 8 16.268 -0.149 -4.679 89 HH12 ARG 8 2HH1 ARG 8 17.113 0.375 -3.260 90 HH21 ARG 8 1HH2 ARG 8 16.038 -2.301 -1.282 91 HH22 ARG 8 2HH2 ARG 8 16.983 -0.851 -1.329 92 H TRP 9 H TRP 9 11.035 -1.809 -8.185 93 HA TRP 9 HA TRP 9 10.921 -3.309 -10.720 94 HB2 TRP 9 2HB TRP 9 9.061 -3.243 -8.396 95 HB3 TRP 9 3HB TRP 9 8.351 -3.359 -10.004 96 HD1 TRP 9 HD1 TRP 9 10.995 -5.241 -7.873 97 HE1 TRP 9 HE1 TRP 9 10.879 -7.735 -8.495 98 HE3 TRP 9 HE3 TRP 9 7.489 -4.988 -11.585 99 HZ2 TRP 9 HZ2 TRP 9 9.486 -9.379 -10.319 100 HZ3 TRP 9 HZ3 TRP 9 6.821 -7.067 -12.719 101 HH2 TRP 9 HH2 TRP 9 7.800 -9.216 -12.098 102 H ILE 10 H ILE 10 11.672 -1.011 -11.357 103 HA ILE 10 HA ILE 10 9.913 1.167 -11.296 104 HB ILE 10 HB ILE 10 11.887 0.586 -13.502 105 HG12 ILE 10 2HG1 ILE 10 12.363 1.908 -10.821 106 HG13 ILE 10 3HG1 ILE 10 12.971 0.331 -11.311 107 HG21 ILE 10 1HG2 ILE 10 11.821 3.308 -12.798 108 HG22 ILE 10 2HG2 ILE 10 11.235 2.558 -14.282 109 HG23 ILE 10 3HG2 ILE 10 10.144 2.777 -12.915 110 HD11 ILE 10 3HD1 ILE 10 13.787 2.176 -13.276 111 HD12 ILE 10 1HD1 ILE 10 14.126 2.897 -11.703 112 HD13 ILE 10 2HD1 ILE 10 14.781 1.310 -12.105 113 H PHE 11 H PHE 11 9.378 -1.750 -12.690 114 HA PHE 11 HA PHE 11 7.855 -0.667 -14.953 115 HB2 PHE 11 2HB PHE 11 7.625 -3.358 -15.220 116 HB3 PHE 11 3HB PHE 11 8.923 -2.407 -15.936 117 HD1 PHE 11 HD2 PHE 11 10.917 -1.949 -14.159 118 HD2 PHE 11 HD1 PHE 11 8.261 -5.275 -14.156 119 HE1 PHE 11 HE2 PHE 11 12.575 -3.267 -12.906 120 HE2 PHE 11 HE1 PHE 11 9.914 -6.598 -12.901 121 HZ PHE 11 HZ PHE 11 12.075 -5.595 -12.276 122 H ILE 12 H ILE 12 7.414 -3.316 -12.603 123 HA ILE 12 HA ILE 12 4.787 -2.289 -11.906 124 HB ILE 12 HB ILE 12 3.902 -4.731 -12.245 125 HG12 ILE 12 2HG1 ILE 12 6.428 -5.096 -13.246 126 HG13 ILE 12 3HG1 ILE 12 5.044 -6.122 -13.607 127 HG21 ILE 12 1HG2 ILE 12 3.133 -4.091 -14.532 128 HG22 ILE 12 2HG2 ILE 12 2.891 -2.845 -13.309 129 HG23 ILE 12 3HG2 ILE 12 4.225 -2.708 -14.454 130 HD11 ILE 12 3HD1 ILE 12 4.671 -5.066 -15.669 131 HD12 ILE 12 1HD1 ILE 12 5.733 -3.718 -15.262 132 HD13 ILE 12 2HD1 ILE 12 6.414 -5.317 -15.569 Start of MODEL 13 1 H1 TYR 1 H TYR 1 1.314 -0.825 0.842 2 HA TYR 1 HA TYR 1 1.266 -0.053 -1.904 3 HB2 TYR 1 2HB TYR 1 2.876 1.522 -2.031 4 HB3 TYR 1 3HB TYR 1 2.539 1.779 -0.323 5 HD1 TYR 1 HD1 TYR 1 4.880 0.342 -2.747 6 HD2 TYR 1 HD2 TYR 1 4.075 0.984 1.382 7 HE1 TYR 1 HE1 TYR 1 7.208 -0.241 -2.208 8 HE2 TYR 1 HE2 TYR 1 6.401 0.404 1.931 9 HH TYR 1 HH TYR 1 8.282 -1.181 0.526 10 H VAL 2 H VAL 2 3.195 -0.978 -3.091 11 HA VAL 2 HA VAL 2 3.491 -3.699 -2.422 12 HB VAL 2 HB VAL 2 3.696 -2.613 -4.732 13 HG11 VAL 2 1HG1 VAL 2 5.418 -1.288 -5.194 14 HG12 VAL 2 2HG1 VAL 2 5.894 -1.381 -3.498 15 HG13 VAL 2 3HG1 VAL 2 6.564 -2.520 -4.667 16 HG21 VAL 2 3HG2 VAL 2 4.256 -4.694 -5.268 17 HG22 VAL 2 1HG2 VAL 2 5.934 -4.355 -4.844 18 HG23 VAL 2 2HG2 VAL 2 4.822 -4.972 -3.622 19 H LEU 3 H LEU 3 6.386 -3.772 -3.211 20 HA LEU 3 HA LEU 3 7.601 -2.899 -0.680 21 HB2 LEU 3 2HB LEU 3 8.714 -4.959 -0.380 22 HB3 LEU 3 3HB LEU 3 7.018 -5.337 -0.677 23 HG LEU 3 HG LEU 3 8.370 -6.943 -1.824 24 HD11 LEU 3 1HD1 LEU 3 6.334 -5.839 -2.954 25 HD12 LEU 3 2HD1 LEU 3 7.413 -6.831 -3.935 26 HD13 LEU 3 3HD1 LEU 3 7.526 -5.073 -4.004 27 HD21 LEU 3 3HD2 LEU 3 10.268 -6.514 -2.962 28 HD22 LEU 3 1HD2 LEU 3 10.269 -5.040 -1.994 29 HD23 LEU 3 2HD2 LEU 3 9.648 -5.010 -3.645 30 H TRP 4 H TRP 4 7.816 -3.348 -4.081 31 HA TRP 4 HA TRP 4 10.550 -2.247 -4.047 32 HB2 TRP 4 2HB TRP 4 10.593 -3.334 -6.438 33 HB3 TRP 4 3HB TRP 4 10.907 -4.318 -5.011 34 HD1 TRP 4 HD1 TRP 4 9.834 -6.604 -5.394 35 HE1 TRP 4 HE1 TRP 4 7.575 -7.459 -6.284 36 HE3 TRP 4 HE3 TRP 4 7.744 -2.135 -6.734 37 HZ2 TRP 4 HZ2 TRP 4 5.220 -6.382 -7.407 38 HZ3 TRP 4 HZ3 TRP 4 5.485 -2.134 -7.710 39 HH2 TRP 4 HH2 TRP 4 4.251 -4.215 -8.039 40 H LYS 5 H LYS 5 8.077 -0.759 -3.988 41 HA LYS 5 HA LYS 5 7.547 0.241 -6.622 42 HB2 LYS 5 2HB LYS 5 6.307 0.393 -4.104 43 HB3 LYS 5 3HB LYS 5 6.731 2.048 -4.524 44 HG2 LYS 5 2HG LYS 5 5.387 2.047 -6.417 45 HG3 LYS 5 3HG LYS 5 5.328 0.284 -6.492 46 HD2 LYS 5 2HD LYS 5 3.775 0.137 -4.773 47 HD3 LYS 5 3HD LYS 5 4.176 1.735 -4.141 48 HE2 LYS 5 2HE LYS 5 2.586 2.677 -5.376 49 HE3 LYS 5 3HE LYS 5 3.241 1.955 -6.845 50 HZ1 LYS 5 3HZ LYS 5 1.645 0.425 -6.867 51 HZ2 LYS 5 1HZ LYS 5 0.844 1.358 -5.705 52 HZ3 LYS 5 2HZ LYS 5 1.825 0.067 -5.224 53 H ARG 6 H ARG 6 10.114 0.640 -4.587 54 HA ARG 6 HA ARG 6 10.592 3.444 -4.919 55 HB2 ARG 6 2HB ARG 6 11.536 2.307 -3.008 56 HB3 ARG 6 3HB ARG 6 12.395 1.182 -4.050 57 HG2 ARG 6 2HG ARG 6 13.699 3.119 -2.986 58 HG3 ARG 6 3HG ARG 6 13.955 2.769 -4.697 59 HD2 ARG 6 2HD ARG 6 13.703 5.193 -4.176 60 HD3 ARG 6 3HD ARG 6 12.537 4.581 -5.348 61 HE ARG 6 HE ARG 6 11.524 4.509 -2.681 62 HH11 ARG 6 1HH1 ARG 6 12.085 6.587 -5.417 63 HH12 ARG 6 2HH1 ARG 6 10.822 7.697 -4.999 64 HH21 ARG 6 1HH2 ARG 6 9.859 5.963 -2.119 65 HH22 ARG 6 2HH2 ARG 6 9.557 7.342 -3.122 66 H LYS 7 H LYS 7 13.147 1.225 -5.728 67 HA LYS 7 HA LYS 7 13.083 2.159 -8.519 68 HB2 LYS 7 2HB LYS 7 14.869 3.149 -6.807 69 HB3 LYS 7 3HB LYS 7 15.717 1.664 -7.219 70 HG2 LYS 7 2HG LYS 7 15.718 2.259 -9.554 71 HG3 LYS 7 3HG LYS 7 14.742 3.692 -9.221 72 HD2 LYS 7 2HD LYS 7 17.010 4.401 -9.455 73 HD3 LYS 7 3HD LYS 7 16.594 4.503 -7.742 74 HE2 LYS 7 2HE LYS 7 17.559 1.978 -7.881 75 HE3 LYS 7 3HE LYS 7 18.524 2.765 -9.129 76 HZ1 LYS 7 3HZ LYS 7 18.434 3.305 -6.240 77 HZ2 LYS 7 1HZ LYS 7 18.869 4.547 -7.304 78 HZ3 LYS 7 2HZ LYS 7 19.775 3.120 -7.255 79 H ARG 8 H ARG 8 12.855 -0.431 -6.552 80 HA ARG 8 HA ARG 8 14.546 -2.313 -7.872 81 HB2 ARG 8 2HB ARG 8 12.418 -2.412 -5.806 82 HB3 ARG 8 3HB ARG 8 12.711 -3.893 -6.709 83 HG2 ARG 8 2HG ARG 8 13.978 -3.752 -4.593 84 HG3 ARG 8 3HG ARG 8 15.005 -3.933 -6.017 85 HD2 ARG 8 2HD ARG 8 15.666 -1.675 -5.954 86 HD3 ARG 8 3HD ARG 8 14.370 -1.244 -4.838 87 HE ARG 8 HE ARG 8 16.156 -3.155 -3.707 88 HH11 ARG 8 1HH1 ARG 8 15.761 0.231 -4.411 89 HH12 ARG 8 2HH1 ARG 8 16.815 0.752 -3.138 90 HH21 ARG 8 1HH2 ARG 8 17.545 -2.482 -2.027 91 HH22 ARG 8 2HH2 ARG 8 17.830 -0.791 -1.784 92 H TRP 9 H TRP 9 11.068 -1.598 -8.026 93 HA TRP 9 HA TRP 9 10.982 -3.049 -10.591 94 HB2 TRP 9 2HB TRP 9 9.110 -3.053 -8.274 95 HB3 TRP 9 3HB TRP 9 8.409 -3.143 -9.888 96 HD1 TRP 9 HD1 TRP 9 11.069 -5.037 -7.787 97 HE1 TRP 9 HE1 TRP 9 10.983 -7.520 -8.460 98 HE3 TRP 9 HE3 TRP 9 7.569 -4.750 -11.502 99 HZ2 TRP 9 HZ2 TRP 9 9.613 -9.142 -10.321 100 HZ3 TRP 9 HZ3 TRP 9 6.927 -6.813 -12.680 101 HH2 TRP 9 HH2 TRP 9 7.929 -8.963 -12.100 102 H ILE 10 H ILE 10 11.708 -0.734 -11.183 103 HA ILE 10 HA ILE 10 9.928 1.426 -11.082 104 HB ILE 10 HB ILE 10 11.883 0.930 -13.322 105 HG12 ILE 10 2HG1 ILE 10 13.063 2.576 -11.364 106 HG13 ILE 10 3HG1 ILE 10 12.391 1.201 -10.495 107 HG21 ILE 10 1HG2 ILE 10 10.777 2.842 -13.908 108 HG22 ILE 10 2HG2 ILE 10 10.430 3.285 -12.237 109 HG23 ILE 10 3HG2 ILE 10 12.048 3.528 -12.896 110 HD11 ILE 10 3HD1 ILE 10 13.708 -0.327 -11.688 111 HD12 ILE 10 1HD1 ILE 10 14.129 0.867 -12.915 112 HD13 ILE 10 2HD1 ILE 10 14.786 1.008 -11.284 113 H PHE 11 H PHE 11 9.419 -1.468 -12.530 114 HA PHE 11 HA PHE 11 7.888 -0.355 -14.773 115 HB2 PHE 11 2HB PHE 11 7.687 -3.044 -15.094 116 HB3 PHE 11 3HB PHE 11 8.973 -2.064 -15.791 117 HD1 PHE 11 HD2 PHE 11 10.963 -1.618 -14.005 118 HD2 PHE 11 HD1 PHE 11 8.346 -4.975 -14.070 119 HE1 PHE 11 HE2 PHE 11 12.636 -2.942 -12.779 120 HE2 PHE 11 HE1 PHE 11 10.015 -6.304 -12.844 121 HZ PHE 11 HZ PHE 11 12.164 -5.288 -12.198 122 H ILE 12 H ILE 12 7.468 -3.071 -12.498 123 HA ILE 12 HA ILE 12 4.834 -2.081 -11.770 124 HB ILE 12 HB ILE 12 3.962 -4.513 -12.173 125 HG12 ILE 12 2HG1 ILE 12 6.495 -4.854 -13.162 126 HG13 ILE 12 3HG1 ILE 12 5.115 -5.874 -13.555 127 HG21 ILE 12 1HG2 ILE 12 4.295 -2.442 -14.334 128 HG22 ILE 12 2HG2 ILE 12 3.213 -3.829 -14.457 129 HG23 ILE 12 3HG2 ILE 12 2.950 -2.613 -13.207 130 HD11 ILE 12 3HD1 ILE 12 5.808 -3.434 -15.154 131 HD12 ILE 12 1HD1 ILE 12 6.505 -5.019 -15.487 132 HD13 ILE 12 2HD1 ILE 12 4.760 -4.781 -15.599 Start of MODEL 14 1 H1 TYR 1 H TYR 1 0.098 1.023 -0.167 2 HA TYR 1 HA TYR 1 0.713 0.115 -2.502 3 HB2 TYR 1 2HB TYR 1 2.209 1.793 -2.718 4 HB3 TYR 1 3HB TYR 1 1.761 2.180 -1.060 5 HD1 TYR 1 HD1 TYR 1 4.338 0.730 -3.221 6 HD2 TYR 1 HD2 TYR 1 3.260 1.679 0.784 7 HE1 TYR 1 HE1 TYR 1 6.673 0.400 -2.521 8 HE2 TYR 1 HE2 TYR 1 5.592 1.353 1.495 9 HH TYR 1 HH TYR 1 7.677 -0.203 0.305 10 H VAL 2 H VAL 2 2.777 -0.726 -3.533 11 HA VAL 2 HA VAL 2 3.253 -3.354 -2.641 12 HB VAL 2 HB VAL 2 3.498 -2.423 -5.015 13 HG11 VAL 2 1HG1 VAL 2 5.135 -1.001 -5.493 14 HG12 VAL 2 2HG1 VAL 2 5.525 -0.934 -3.773 15 HG13 VAL 2 3HG1 VAL 2 6.342 -2.097 -4.819 16 HG21 VAL 2 3HG2 VAL 2 4.735 -4.600 -3.678 17 HG22 VAL 2 1HG2 VAL 2 4.245 -4.483 -5.368 18 HG23 VAL 2 2HG2 VAL 2 5.866 -3.986 -4.883 19 H LEU 3 H LEU 3 6.180 -3.260 -3.275 20 HA LEU 3 HA LEU 3 7.186 -2.098 -0.768 21 HB2 LEU 3 2HB LEU 3 8.434 -4.035 -0.250 22 HB3 LEU 3 3HB LEU 3 6.790 -4.568 -0.596 23 HG LEU 3 HG LEU 3 8.316 -6.145 -1.545 24 HD11 LEU 3 1HD1 LEU 3 7.462 -4.519 -3.908 25 HD12 LEU 3 2HD1 LEU 3 6.270 -5.286 -2.859 26 HD13 LEU 3 3HD1 LEU 3 7.468 -6.271 -3.700 27 HD21 LEU 3 3HD2 LEU 3 9.549 -4.264 -3.448 28 HD22 LEU 3 1HD2 LEU 3 10.238 -5.659 -2.618 29 HD23 LEU 3 2HD2 LEU 3 10.078 -4.119 -1.771 30 H TRP 4 H TRP 4 7.621 -2.793 -4.107 31 HA TRP 4 HA TRP 4 10.254 -1.470 -4.030 32 HB2 TRP 4 2HB TRP 4 10.527 -2.739 -6.310 33 HB3 TRP 4 3HB TRP 4 10.823 -3.580 -4.791 34 HD1 TRP 4 HD1 TRP 4 9.956 -5.969 -5.058 35 HE1 TRP 4 HE1 TRP 4 7.825 -7.067 -5.996 36 HE3 TRP 4 HE3 TRP 4 7.612 -1.793 -6.849 37 HZ2 TRP 4 HZ2 TRP 4 5.464 -6.269 -7.322 38 HZ3 TRP 4 HZ3 TRP 4 5.421 -2.047 -7.940 39 HH2 TRP 4 HH2 TRP 4 4.371 -4.239 -8.170 40 H LYS 5 H LYS 5 7.660 -0.206 -4.228 41 HA LYS 5 HA LYS 5 7.160 0.518 -6.943 42 HB2 LYS 5 2HB LYS 5 5.852 0.840 -4.487 43 HB3 LYS 5 3HB LYS 5 6.219 2.473 -5.028 44 HG2 LYS 5 2HG LYS 5 4.980 2.207 -7.010 45 HG3 LYS 5 3HG LYS 5 4.886 0.456 -6.807 46 HD2 LYS 5 2HD LYS 5 3.378 0.662 -4.986 47 HD3 LYS 5 3HD LYS 5 3.661 2.400 -4.860 48 HE2 LYS 5 2HE LYS 5 2.769 2.432 -7.311 49 HE3 LYS 5 3HE LYS 5 2.071 0.872 -6.879 50 HZ1 LYS 5 3HZ LYS 5 0.383 2.205 -6.229 51 HZ2 LYS 5 1HZ LYS 5 1.377 3.543 -5.938 52 HZ3 LYS 5 2HZ LYS 5 1.288 2.292 -4.803 53 H ARG 6 H ARG 6 9.647 1.288 -4.899 54 HA ARG 6 HA ARG 6 9.981 4.058 -5.535 55 HB2 ARG 6 2HB ARG 6 12.418 3.431 -4.717 56 HB3 ARG 6 3HB ARG 6 11.082 3.579 -3.583 57 HG2 ARG 6 2HG ARG 6 10.916 1.294 -3.274 58 HG3 ARG 6 3HG ARG 6 11.731 0.929 -4.797 59 HD2 ARG 6 2HD ARG 6 13.194 2.360 -2.618 60 HD3 ARG 6 3HD ARG 6 12.989 0.611 -2.539 61 HE ARG 6 HE ARG 6 13.967 0.980 -5.022 62 HH11 ARG 6 1HH1 ARG 6 14.996 2.089 -1.887 63 HH12 ARG 6 2HH1 ARG 6 16.675 2.132 -2.309 64 HH21 ARG 6 1HH2 ARG 6 16.175 1.033 -5.590 65 HH22 ARG 6 2HH2 ARG 6 17.345 1.532 -4.416 66 H LYS 7 H LYS 7 12.752 2.054 -6.010 67 HA LYS 7 HA LYS 7 12.660 2.567 -8.908 68 HB2 LYS 7 2HB LYS 7 15.180 2.696 -7.256 69 HB3 LYS 7 3HB LYS 7 14.966 3.181 -8.933 70 HG2 LYS 7 2HG LYS 7 14.727 5.247 -8.156 71 HG3 LYS 7 3HG LYS 7 13.134 4.738 -7.591 72 HD2 LYS 7 2HD LYS 7 14.341 5.789 -5.778 73 HD3 LYS 7 3HD LYS 7 14.149 4.067 -5.440 74 HE2 LYS 7 2HE LYS 7 16.385 3.614 -5.801 75 HE3 LYS 7 3HE LYS 7 16.616 5.036 -6.817 76 HZ1 LYS 7 3HZ LYS 7 17.261 6.196 -5.061 77 HZ2 LYS 7 1HZ LYS 7 17.197 4.788 -4.126 78 HZ3 LYS 7 2HZ LYS 7 15.853 5.812 -4.206 79 H ARG 8 H ARG 8 12.569 0.247 -6.669 80 HA ARG 8 HA ARG 8 14.537 -1.590 -7.638 81 HB2 ARG 8 2HB ARG 8 12.608 -1.487 -5.503 82 HB3 ARG 8 3HB ARG 8 12.486 -3.027 -6.344 83 HG2 ARG 8 2HG ARG 8 14.023 -3.386 -4.617 84 HG3 ARG 8 3HG ARG 8 15.004 -3.203 -6.073 85 HD2 ARG 8 2HD ARG 8 15.135 -0.717 -5.400 86 HD3 ARG 8 3HD ARG 8 14.594 -1.273 -3.816 87 HE ARG 8 HE ARG 8 16.677 -2.154 -3.453 88 HH11 ARG 8 1HH1 ARG 8 16.309 -1.443 -6.841 89 HH12 ARG 8 2HH1 ARG 8 17.970 -1.758 -7.221 90 HH21 ARG 8 1HH2 ARG 8 18.866 -2.571 -3.941 91 HH22 ARG 8 2HH2 ARG 8 19.423 -2.401 -5.571 92 H TRP 9 H TRP 9 11.057 -1.159 -8.126 93 HA TRP 9 HA TRP 9 11.235 -3.024 -10.402 94 HB2 TRP 9 2HB TRP 9 9.242 -2.806 -8.218 95 HB3 TRP 9 3HB TRP 9 8.600 -3.097 -9.832 96 HD1 TRP 9 HD1 TRP 9 11.349 -4.649 -7.559 97 HE1 TRP 9 HE1 TRP 9 11.306 -7.199 -7.905 98 HE3 TRP 9 HE3 TRP 9 7.697 -4.921 -11.126 99 HZ2 TRP 9 HZ2 TRP 9 9.909 -9.077 -9.483 100 HZ3 TRP 9 HZ3 TRP 9 7.067 -7.133 -12.002 101 HH2 TRP 9 HH2 TRP 9 8.152 -9.166 -11.196 102 H ILE 10 H ILE 10 11.885 -0.831 -11.362 103 HA ILE 10 HA ILE 10 10.030 1.232 -11.730 104 HB ILE 10 HB ILE 10 12.114 0.428 -13.754 105 HG12 ILE 10 2HG1 ILE 10 13.221 2.414 -12.170 106 HG13 ILE 10 3HG1 ILE 10 12.424 1.363 -11.004 107 HG21 ILE 10 1HG2 ILE 10 10.441 2.807 -13.261 108 HG22 ILE 10 2HG2 ILE 10 12.122 3.114 -13.695 109 HG23 ILE 10 3HG2 ILE 10 11.093 2.168 -14.770 110 HD11 ILE 10 3HD1 ILE 10 14.035 0.003 -13.052 111 HD12 ILE 10 1HD1 ILE 10 14.926 0.992 -11.896 112 HD13 ILE 10 2HD1 ILE 10 13.884 -0.312 -11.324 113 H PHE 11 H PHE 11 9.749 -1.904 -12.705 114 HA PHE 11 HA PHE 11 8.273 -1.263 -15.156 115 HB2 PHE 11 2HB PHE 11 8.191 -3.965 -15.033 116 HB3 PHE 11 3HB PHE 11 9.493 -3.064 -15.802 117 HD1 PHE 11 HD2 PHE 11 11.351 -2.260 -14.007 118 HD2 PHE 11 HD1 PHE 11 8.825 -5.667 -13.649 119 HE1 PHE 11 HE2 PHE 11 12.973 -3.297 -12.476 120 HE2 PHE 11 HE1 PHE 11 10.443 -6.709 -12.116 121 HZ PHE 11 HZ PHE 11 12.521 -5.525 -11.529 122 H ILE 12 H ILE 12 7.825 -3.628 -12.526 123 HA ILE 12 HA ILE 12 4.982 -2.852 -12.448 124 HB ILE 12 HB ILE 12 5.782 -5.595 -11.616 125 HG12 ILE 12 2HG1 ILE 12 6.941 -5.398 -13.735 126 HG13 ILE 12 3HG1 ILE 12 5.508 -6.394 -13.957 127 HG21 ILE 12 1HG2 ILE 12 3.480 -4.716 -11.357 128 HG22 ILE 12 2HG2 ILE 12 3.380 -4.557 -13.110 129 HG23 ILE 12 3HG2 ILE 12 3.568 -6.151 -12.379 130 HD11 ILE 12 3HD1 ILE 12 4.977 -5.092 -15.662 131 HD12 ILE 12 1HD1 ILE 12 4.676 -3.796 -14.505 132 HD13 ILE 12 2HD1 ILE 12 6.261 -3.951 -15.263 Start of MODEL 15 1 H1 TYR 1 H TYR 1 1.389 0.284 0.934 2 HA TYR 1 HA TYR 1 1.253 -0.178 -1.881 3 HB2 TYR 1 2HB TYR 1 2.850 1.410 -2.014 4 HB3 TYR 1 3HB TYR 1 2.517 1.664 -0.304 5 HD1 TYR 1 HD1 TYR 1 4.860 0.247 -2.737 6 HD2 TYR 1 HD2 TYR 1 4.065 0.879 1.395 7 HE1 TYR 1 HE1 TYR 1 7.194 -0.318 -2.208 8 HE2 TYR 1 HE2 TYR 1 6.398 0.317 1.935 9 HH TYR 1 HH TYR 1 8.567 0.244 0.876 10 H VAL 2 H VAL 2 3.184 -1.089 -3.074 11 HA VAL 2 HA VAL 2 3.503 -3.807 -2.407 12 HB VAL 2 HB VAL 2 3.697 -2.716 -4.716 13 HG11 VAL 2 1HG1 VAL 2 5.887 -1.473 -3.484 14 HG12 VAL 2 2HG1 VAL 2 6.564 -2.608 -4.653 15 HG13 VAL 2 3HG1 VAL 2 5.410 -1.382 -5.179 16 HG21 VAL 2 3HG2 VAL 2 4.837 -5.071 -3.611 17 HG22 VAL 2 1HG2 VAL 2 4.266 -4.792 -5.256 18 HG23 VAL 2 2HG2 VAL 2 5.944 -4.448 -4.835 19 H LEU 3 H LEU 3 6.396 -3.862 -3.199 20 HA LEU 3 HA LEU 3 7.609 -2.981 -0.670 21 HB2 LEU 3 2HB LEU 3 8.737 -5.034 -0.373 22 HB3 LEU 3 3HB LEU 3 7.043 -5.423 -0.667 23 HG LEU 3 HG LEU 3 8.403 -7.019 -1.818 24 HD11 LEU 3 1HD1 LEU 3 7.439 -6.912 -3.925 25 HD12 LEU 3 2HD1 LEU 3 7.542 -5.153 -3.995 26 HD13 LEU 3 3HD1 LEU 3 6.357 -5.926 -2.942 27 HD21 LEU 3 3HD2 LEU 3 10.290 -5.105 -1.991 28 HD22 LEU 3 1HD2 LEU 3 9.664 -5.076 -3.639 29 HD23 LEU 3 2HD2 LEU 3 10.295 -6.577 -2.963 30 H TRP 4 H TRP 4 7.822 -3.429 -4.072 31 HA TRP 4 HA TRP 4 10.548 -2.309 -4.041 32 HB2 TRP 4 2HB TRP 4 10.594 -3.392 -6.434 33 HB3 TRP 4 3HB TRP 4 10.917 -4.375 -5.009 34 HD1 TRP 4 HD1 TRP 4 9.857 -6.667 -5.389 35 HE1 TRP 4 HE1 TRP 4 7.602 -7.537 -6.277 36 HE3 TRP 4 HE3 TRP 4 7.737 -2.211 -6.727 37 HZ2 TRP 4 HZ2 TRP 4 5.239 -6.475 -7.396 38 HZ3 TRP 4 HZ3 TRP 4 5.477 -2.225 -7.699 39 HH2 TRP 4 HH2 TRP 4 4.256 -4.314 -8.027 40 H LYS 5 H LYS 5 8.067 -0.835 -3.975 41 HA LYS 5 HA LYS 5 7.524 0.164 -6.607 42 HB2 LYS 5 2HB LYS 5 6.291 0.308 -4.084 43 HB3 LYS 5 3HB LYS 5 6.705 1.964 -4.505 44 HG2 LYS 5 2HG LYS 5 5.385 1.926 -6.436 45 HG3 LYS 5 3HG LYS 5 5.272 0.164 -6.427 46 HD2 LYS 5 2HD LYS 5 3.870 0.215 -4.471 47 HD3 LYS 5 3HD LYS 5 4.091 1.958 -4.308 48 HE2 LYS 5 2HE LYS 5 2.925 0.773 -6.802 49 HE3 LYS 5 3HE LYS 5 1.919 1.073 -5.385 50 HZ1 LYS 5 3HZ LYS 5 3.248 3.402 -5.667 51 HZ2 LYS 5 1HZ LYS 5 1.690 3.102 -6.255 52 HZ3 LYS 5 2HZ LYS 5 3.025 2.939 -7.279 53 H ARG 6 H ARG 6 10.093 0.578 -4.575 54 HA ARG 6 HA ARG 6 10.555 3.384 -4.907 55 HB2 ARG 6 2HB ARG 6 11.512 2.251 -3.001 56 HB3 ARG 6 3HB ARG 6 12.374 1.130 -4.047 57 HG2 ARG 6 2HG ARG 6 13.671 3.074 -2.985 58 HG3 ARG 6 3HG ARG 6 13.924 2.726 -4.697 59 HD2 ARG 6 2HD ARG 6 13.661 5.148 -4.177 60 HD3 ARG 6 3HD ARG 6 12.492 4.530 -5.343 61 HE ARG 6 HE ARG 6 11.540 4.498 -2.633 62 HH11 ARG 6 1HH1 ARG 6 11.897 6.415 -5.517 63 HH12 ARG 6 2HH1 ARG 6 10.588 7.481 -5.127 64 HH21 ARG 6 1HH2 ARG 6 9.814 5.894 -2.109 65 HH22 ARG 6 2HH2 ARG 6 9.404 7.184 -3.188 66 H LYS 7 H LYS 7 13.120 1.179 -5.727 67 HA LYS 7 HA LYS 7 13.043 2.118 -8.517 68 HB2 LYS 7 2HB LYS 7 14.830 3.112 -6.811 69 HB3 LYS 7 3HB LYS 7 15.681 1.628 -7.221 70 HG2 LYS 7 2HG LYS 7 15.685 2.218 -9.555 71 HG3 LYS 7 3HG LYS 7 14.699 3.645 -9.229 72 HD2 LYS 7 2HD LYS 7 16.965 4.364 -9.464 73 HD3 LYS 7 3HD LYS 7 16.542 4.478 -7.754 74 HE2 LYS 7 2HE LYS 7 17.521 1.957 -7.868 75 HE3 LYS 7 3HE LYS 7 18.488 2.739 -9.118 76 HZ1 LYS 7 3HZ LYS 7 19.731 3.127 -7.248 77 HZ2 LYS 7 1HZ LYS 7 18.388 3.288 -6.233 78 HZ3 LYS 7 2HZ LYS 7 18.801 4.539 -7.294 79 H ARG 8 H ARG 8 12.855 -0.478 -6.539 80 HA ARG 8 HA ARG 8 14.538 -2.351 -7.875 81 HB2 ARG 8 2HB ARG 8 12.417 -2.462 -5.803 82 HB3 ARG 8 3HB ARG 8 12.713 -3.940 -6.709 83 HG2 ARG 8 2HG ARG 8 13.987 -3.804 -4.599 84 HG3 ARG 8 3HG ARG 8 15.013 -3.966 -6.026 85 HD2 ARG 8 2HD ARG 8 15.681 -1.722 -5.939 86 HD3 ARG 8 3HD ARG 8 14.358 -1.281 -4.860 87 HE ARG 8 HE ARG 8 16.099 -3.180 -3.655 88 HH11 ARG 8 1HH1 ARG 8 15.778 0.196 -4.442 89 HH12 ARG 8 2HH1 ARG 8 16.812 0.727 -3.158 90 HH21 ARG 8 1HH2 ARG 8 17.462 -2.493 -1.960 91 HH22 ARG 8 2HH2 ARG 8 17.771 -0.803 -1.747 92 H TRP 9 H TRP 9 11.054 -1.659 -8.011 93 HA TRP 9 HA TRP 9 10.967 -3.098 -10.582 94 HB2 TRP 9 2HB TRP 9 9.106 -3.126 -8.257 95 HB3 TRP 9 3HB TRP 9 8.399 -3.214 -9.868 96 HD1 TRP 9 HD1 TRP 9 11.071 -5.100 -7.778 97 HE1 TRP 9 HE1 TRP 9 11.004 -7.580 -8.464 98 HE3 TRP 9 HE3 TRP 9 7.575 -4.818 -11.497 99 HZ2 TRP 9 HZ2 TRP 9 9.649 -9.202 -10.335 100 HZ3 TRP 9 HZ3 TRP 9 6.950 -6.880 -12.686 101 HH2 TRP 9 HH2 TRP 9 7.967 -9.025 -12.116 102 H ILE 10 H ILE 10 11.675 -0.772 -11.160 103 HA ILE 10 HA ILE 10 9.871 1.369 -11.047 104 HB ILE 10 HB ILE 10 11.857 0.896 -13.266 105 HG12 ILE 10 2HG1 ILE 10 12.314 2.105 -10.529 106 HG13 ILE 10 3HG1 ILE 10 12.963 0.573 -11.103 107 HG21 ILE 10 1HG2 ILE 10 10.070 3.020 -12.627 108 HG22 ILE 10 2HG2 ILE 10 11.726 3.591 -12.426 109 HG23 ILE 10 3HG2 ILE 10 11.212 2.900 -13.965 110 HD11 ILE 10 3HD1 ILE 10 13.941 2.142 -13.002 111 HD12 ILE 10 1HD1 ILE 10 13.799 3.342 -11.717 112 HD13 ILE 10 2HD1 ILE 10 14.767 1.889 -11.464 113 H PHE 11 H PHE 11 9.392 -1.519 -12.510 114 HA PHE 11 HA PHE 11 7.861 -0.409 -14.755 115 HB2 PHE 11 2HB PHE 11 7.687 -3.097 -15.090 116 HB3 PHE 11 3HB PHE 11 8.966 -2.102 -15.777 117 HD1 PHE 11 HD2 PHE 11 10.946 -1.649 -13.982 118 HD2 PHE 11 HD1 PHE 11 8.359 -5.027 -14.072 119 HE1 PHE 11 HE2 PHE 11 12.626 -2.963 -12.757 120 HE2 PHE 11 HE1 PHE 11 10.034 -6.347 -12.846 121 HZ PHE 11 HZ PHE 11 12.172 -5.316 -12.188 122 H ILE 12 H ILE 12 7.463 -3.127 -12.477 123 HA ILE 12 HA ILE 12 4.814 -2.170 -11.765 124 HB ILE 12 HB ILE 12 3.976 -4.616 -12.173 125 HG12 ILE 12 2HG1 ILE 12 6.514 -4.912 -13.165 126 HG13 ILE 12 3HG1 ILE 12 5.151 -5.954 -13.559 127 HG21 ILE 12 1HG2 ILE 12 3.211 -3.934 -14.449 128 HG22 ILE 12 2HG2 ILE 12 2.938 -2.725 -13.197 129 HG23 ILE 12 3HG2 ILE 12 4.277 -2.535 -14.328 130 HD11 ILE 12 3HD1 ILE 12 4.771 -4.857 -15.597 131 HD12 ILE 12 1HD1 ILE 12 5.805 -3.499 -15.152 132 HD13 ILE 12 2HD1 ILE 12 6.518 -5.077 -15.493 Start of MODEL 16 1 H1 TYR 1 H TYR 1 1.272 0.287 0.724 2 HA TYR 1 HA TYR 1 0.960 0.095 -2.201 3 HB2 TYR 1 2HB TYR 1 2.389 1.810 -2.518 4 HB3 TYR 1 3HB TYR 1 2.030 2.217 -0.843 5 HD1 TYR 1 HD2 TYR 1 4.506 0.780 -3.126 6 HD2 TYR 1 HD1 TYR 1 3.643 1.777 0.919 7 HE1 TYR 1 HE2 TYR 1 6.883 0.506 -2.558 8 HE2 TYR 1 HE1 TYR 1 6.018 1.507 1.498 9 HH TYR 1 HH TYR 1 8.465 1.122 -0.915 10 H VAL 2 H VAL 2 2.976 -0.755 -3.290 11 HA VAL 2 HA VAL 2 3.555 -3.334 -2.316 12 HB VAL 2 HB VAL 2 3.654 -2.501 -4.737 13 HG11 VAL 2 1HG1 VAL 2 5.239 -1.077 -5.367 14 HG12 VAL 2 2HG1 VAL 2 5.702 -0.914 -3.672 15 HG13 VAL 2 3HG1 VAL 2 6.500 -2.110 -4.694 16 HG21 VAL 2 3HG2 VAL 2 5.009 -4.593 -3.376 17 HG22 VAL 2 1HG2 VAL 2 4.425 -4.560 -5.040 18 HG23 VAL 2 2HG2 VAL 2 6.059 -4.010 -4.668 19 H LEU 3 H LEU 3 6.441 -3.209 -3.107 20 HA LEU 3 HA LEU 3 7.550 -1.922 -0.707 21 HB2 LEU 3 2HB LEU 3 8.871 -3.809 -0.182 22 HB3 LEU 3 3HB LEU 3 7.224 -4.390 -0.414 23 HG LEU 3 HG LEU 3 8.733 -5.972 -1.382 24 HD11 LEU 3 1HD1 LEU 3 7.709 -4.466 -3.756 25 HD12 LEU 3 2HD1 LEU 3 6.597 -5.215 -2.612 26 HD13 LEU 3 3HD1 LEU 3 7.770 -6.206 -3.479 27 HD21 LEU 3 3HD2 LEU 3 10.579 -5.490 -2.584 28 HD22 LEU 3 1HD2 LEU 3 10.430 -3.922 -1.789 29 HD23 LEU 3 2HD2 LEU 3 9.811 -4.142 -3.426 30 H TRP 4 H TRP 4 7.830 -2.750 -4.034 31 HA TRP 4 HA TRP 4 10.435 -1.376 -4.149 32 HB2 TRP 4 2HB TRP 4 10.593 -2.718 -6.402 33 HB3 TRP 4 3HB TRP 4 11.004 -3.495 -4.876 34 HD1 TRP 4 HD1 TRP 4 10.164 -5.904 -4.970 35 HE1 TRP 4 HE1 TRP 4 8.008 -7.082 -5.738 36 HE3 TRP 4 HE3 TRP 4 7.645 -1.860 -6.824 37 HZ2 TRP 4 HZ2 TRP 4 5.564 -6.389 -6.968 38 HZ3 TRP 4 HZ3 TRP 4 5.404 -2.204 -7.779 39 HH2 TRP 4 HH2 TRP 4 4.387 -4.422 -7.850 40 H LYS 5 H LYS 5 7.812 -0.158 -4.243 41 HA LYS 5 HA LYS 5 7.169 0.471 -6.957 42 HB2 LYS 5 2HB LYS 5 5.975 0.845 -4.436 43 HB3 LYS 5 3HB LYS 5 6.238 2.458 -5.086 44 HG2 LYS 5 2HG LYS 5 5.141 0.653 -7.069 45 HG3 LYS 5 3HG LYS 5 4.115 0.783 -5.639 46 HD2 LYS 5 2HD LYS 5 3.993 3.163 -5.862 47 HD3 LYS 5 3HD LYS 5 5.212 3.158 -7.139 48 HE2 LYS 5 2HE LYS 5 3.615 2.917 -8.662 49 HE3 LYS 5 3HE LYS 5 3.127 1.397 -7.914 50 HZ1 LYS 5 3HZ LYS 5 1.282 2.943 -8.031 51 HZ2 LYS 5 1HZ LYS 5 2.151 4.097 -7.151 52 HZ3 LYS 5 2HZ LYS 5 1.690 2.645 -6.417 53 H ARG 6 H ARG 6 9.721 1.353 -5.048 54 HA ARG 6 HA ARG 6 9.948 4.117 -5.754 55 HB2 ARG 6 2HB ARG 6 12.440 3.561 -5.040 56 HB3 ARG 6 3HB ARG 6 11.155 3.722 -3.850 57 HG2 ARG 6 2HG ARG 6 11.109 1.487 -3.388 58 HG3 ARG 6 3HG ARG 6 11.689 1.032 -4.992 59 HD2 ARG 6 2HD ARG 6 13.875 1.286 -4.423 60 HD3 ARG 6 3HD ARG 6 13.538 2.588 -3.284 61 HE ARG 6 HE ARG 6 12.479 0.225 -2.239 62 HH11 ARG 6 1HH1 ARG 6 15.576 1.623 -2.997 63 HH12 ARG 6 2HH1 ARG 6 16.420 0.745 -1.764 64 HH21 ARG 6 1HH2 ARG 6 13.579 -0.936 -0.612 65 HH22 ARG 6 2HH2 ARG 6 15.283 -0.711 -0.409 66 H LYS 7 H LYS 7 12.737 2.152 -6.318 67 HA LYS 7 HA LYS 7 12.516 2.637 -9.215 68 HB2 LYS 7 2HB LYS 7 15.079 2.806 -7.626 69 HB3 LYS 7 3HB LYS 7 14.853 3.201 -9.325 70 HG2 LYS 7 2HG LYS 7 14.617 5.307 -8.666 71 HG3 LYS 7 3HG LYS 7 13.035 4.830 -8.043 72 HD2 LYS 7 2HD LYS 7 14.276 5.981 -6.316 73 HD3 LYS 7 3HD LYS 7 14.090 4.281 -5.878 74 HE2 LYS 7 2HE LYS 7 16.322 3.802 -6.289 75 HE3 LYS 7 3HE LYS 7 16.532 5.201 -7.340 76 HZ1 LYS 7 3HZ LYS 7 15.809 5.993 -4.708 77 HZ2 LYS 7 1HZ LYS 7 17.163 6.430 -5.623 78 HZ3 LYS 7 2HZ LYS 7 17.197 5.026 -4.680 79 H ARG 8 H ARG 8 12.558 0.336 -6.936 80 HA ARG 8 HA ARG 8 14.468 -1.508 -7.991 81 HB2 ARG 8 2HB ARG 8 12.598 -1.408 -5.787 82 HB3 ARG 8 3HB ARG 8 12.524 -2.967 -6.598 83 HG2 ARG 8 2HG ARG 8 14.110 -3.149 -4.845 84 HG3 ARG 8 3HG ARG 8 15.009 -3.112 -6.363 85 HD2 ARG 8 2HD ARG 8 15.014 -0.506 -5.841 86 HD3 ARG 8 3HD ARG 8 14.853 -1.098 -4.188 87 HE ARG 8 HE ARG 8 17.179 -1.247 -5.859 88 HH11 ARG 8 1HH1 ARG 8 15.492 -2.716 -3.191 89 HH12 ARG 8 2HH1 ARG 8 16.920 -3.419 -2.506 90 HH21 ARG 8 1HH2 ARG 8 19.066 -2.168 -4.967 91 HH22 ARG 8 2HH2 ARG 8 18.952 -3.106 -3.517 92 H TRP 9 H TRP 9 10.937 -1.197 -8.228 93 HA TRP 9 HA TRP 9 11.031 -2.999 -10.559 94 HB2 TRP 9 2HB TRP 9 9.144 -2.868 -8.259 95 HB3 TRP 9 3HB TRP 9 8.473 -3.256 -9.841 96 HD1 TRP 9 HD1 TRP 9 11.298 -4.551 -7.512 97 HE1 TRP 9 HE1 TRP 9 11.470 -7.100 -7.825 98 HE3 TRP 9 HE3 TRP 9 7.808 -5.154 -11.199 99 HZ2 TRP 9 HZ2 TRP 9 10.284 -9.101 -9.424 100 HZ3 TRP 9 HZ3 TRP 9 7.387 -7.418 -12.066 101 HH2 TRP 9 HH2 TRP 9 8.601 -9.350 -11.195 102 H ILE 10 H ILE 10 11.521 -0.729 -11.478 103 HA ILE 10 HA ILE 10 9.526 1.227 -11.681 104 HB ILE 10 HB ILE 10 11.550 0.625 -13.832 105 HG12 ILE 10 2HG1 ILE 10 12.540 2.643 -12.144 106 HG13 ILE 10 3HG1 ILE 10 11.985 1.362 -11.072 107 HG21 ILE 10 1HG2 ILE 10 9.789 2.897 -13.140 108 HG22 ILE 10 2HG2 ILE 10 11.415 3.291 -13.697 109 HG23 ILE 10 3HG2 ILE 10 10.344 2.328 -14.714 110 HD11 ILE 10 3HD1 ILE 10 13.532 -0.137 -11.842 111 HD12 ILE 10 1HD1 ILE 10 13.679 0.653 -13.412 112 HD13 ILE 10 2HD1 ILE 10 14.426 1.377 -11.987 113 H PHE 11 H PHE 11 9.340 -1.881 -12.702 114 HA PHE 11 HA PHE 11 7.735 -1.266 -15.080 115 HB2 PHE 11 2HB PHE 11 7.809 -3.979 -15.002 116 HB3 PHE 11 3HB PHE 11 8.996 -2.986 -15.840 117 HD1 PHE 11 HD2 PHE 11 10.909 -2.081 -14.145 118 HD2 PHE 11 HD1 PHE 11 8.649 -5.662 -13.708 119 HE1 PHE 11 HE2 PHE 11 12.694 -3.033 -12.743 120 HE2 PHE 11 HE1 PHE 11 10.430 -6.618 -12.305 121 HZ PHE 11 HZ PHE 11 12.456 -5.304 -11.822 122 H ILE 12 H ILE 12 7.556 -3.645 -12.427 123 HA ILE 12 HA ILE 12 4.825 -2.834 -11.855 124 HB ILE 12 HB ILE 12 4.212 -5.377 -11.894 125 HG12 ILE 12 2HG1 ILE 12 6.779 -5.592 -12.830 126 HG13 ILE 12 3HG1 ILE 12 5.517 -6.797 -13.064 127 HG21 ILE 12 1HG2 ILE 12 3.422 -5.114 -14.249 128 HG22 ILE 12 2HG2 ILE 12 3.023 -3.762 -13.190 129 HG23 ILE 12 3HG2 ILE 12 4.356 -3.621 -14.336 130 HD11 ILE 12 3HD1 ILE 12 5.975 -4.559 -15.006 131 HD12 ILE 12 1HD1 ILE 12 6.832 -6.096 -15.106 132 HD13 ILE 12 2HD1 ILE 12 5.074 -6.056 -15.245 Start of MODEL 17 1 H1 TYR 1 H TYR 1 1.121 0.766 0.480 2 HA TYR 1 HA TYR 1 0.901 0.233 -2.387 3 HB2 TYR 1 2HB TYR 1 2.390 1.901 -2.699 4 HB3 TYR 1 3HB TYR 1 1.996 2.341 -1.041 5 HD1 TYR 1 HD1 TYR 1 4.497 0.807 -3.234 6 HD2 TYR 1 HD2 TYR 1 3.552 1.895 0.769 7 HE1 TYR 1 HE1 TYR 1 6.852 0.489 -2.599 8 HE2 TYR 1 HE2 TYR 1 5.905 1.582 1.415 9 HH TYR 1 HH TYR 1 8.406 1.197 -0.879 10 H VAL 2 H VAL 2 2.923 -0.662 -3.443 11 HA VAL 2 HA VAL 2 3.421 -3.254 -2.463 12 HB VAL 2 HB VAL 2 3.593 -2.419 -4.879 13 HG11 VAL 2 1HG1 VAL 2 5.220 -1.025 -5.464 14 HG12 VAL 2 2HG1 VAL 2 5.663 -0.891 -3.761 15 HG13 VAL 2 3HG1 VAL 2 6.443 -2.098 -4.784 16 HG21 VAL 2 3HG2 VAL 2 5.957 -3.986 -4.761 17 HG22 VAL 2 1HG2 VAL 2 4.866 -4.544 -3.493 18 HG23 VAL 2 2HG2 VAL 2 4.320 -4.497 -5.169 19 H LEU 3 H LEU 3 6.327 -3.194 -3.193 20 HA LEU 3 HA LEU 3 7.413 -1.940 -0.765 21 HB2 LEU 3 2HB LEU 3 8.675 -3.859 -0.214 22 HB3 LEU 3 3HB LEU 3 7.019 -4.399 -0.483 23 HG LEU 3 HG LEU 3 8.509 -6.017 -1.420 24 HD11 LEU 3 1HD1 LEU 3 7.577 -4.482 -3.814 25 HD12 LEU 3 2HD1 LEU 3 6.421 -5.207 -2.696 26 HD13 LEU 3 3HD1 LEU 3 7.589 -6.224 -3.539 27 HD21 LEU 3 3HD2 LEU 3 9.679 -4.210 -3.434 28 HD22 LEU 3 1HD2 LEU 3 10.392 -5.581 -2.583 29 HD23 LEU 3 2HD2 LEU 3 10.269 -4.014 -1.783 30 H TRP 4 H TRP 4 7.742 -2.765 -4.087 31 HA TRP 4 HA TRP 4 10.382 -1.455 -4.143 32 HB2 TRP 4 2HB TRP 4 10.561 -2.802 -6.392 33 HB3 TRP 4 3HB TRP 4 10.918 -3.588 -4.856 34 HD1 TRP 4 HD1 TRP 4 10.026 -5.978 -4.973 35 HE1 TRP 4 HE1 TRP 4 7.861 -7.105 -5.791 36 HE3 TRP 4 HE3 TRP 4 7.642 -1.875 -6.877 37 HZ2 TRP 4 HZ2 TRP 4 5.462 -6.355 -7.074 38 HZ3 TRP 4 HZ3 TRP 4 5.416 -2.166 -7.883 39 HH2 TRP 4 HH2 TRP 4 4.350 -4.360 -7.978 40 H LYS 5 H LYS 5 7.795 -0.174 -4.295 41 HA LYS 5 HA LYS 5 7.229 0.467 -7.025 42 HB2 LYS 5 2HB LYS 5 5.967 0.847 -4.548 43 HB3 LYS 5 3HB LYS 5 6.302 2.465 -5.152 44 HG2 LYS 5 2HG LYS 5 5.018 2.126 -7.088 45 HG3 LYS 5 3HG LYS 5 4.968 0.378 -6.846 46 HD2 LYS 5 2HD LYS 5 3.337 0.509 -5.246 47 HD3 LYS 5 3HD LYS 5 3.832 2.119 -4.719 48 HE2 LYS 5 2HE LYS 5 3.005 2.455 -7.355 49 HE3 LYS 5 3HE LYS 5 1.832 1.339 -6.658 50 HZ1 LYS 5 3HZ LYS 5 2.357 4.132 -6.000 51 HZ2 LYS 5 1HZ LYS 5 1.945 3.110 -4.716 52 HZ3 LYS 5 2HZ LYS 5 0.894 3.283 -6.029 53 H ARG 6 H ARG 6 9.754 1.290 -5.057 54 HA ARG 6 HA ARG 6 10.056 4.051 -5.751 55 HB2 ARG 6 2HB ARG 6 12.517 3.439 -4.978 56 HB3 ARG 6 3HB ARG 6 11.208 3.630 -3.820 57 HG2 ARG 6 2HG ARG 6 11.091 1.391 -3.370 58 HG3 ARG 6 3HG ARG 6 11.721 0.929 -4.952 59 HD2 ARG 6 2HD ARG 6 13.716 0.657 -4.015 60 HD3 ARG 6 3HD ARG 6 13.762 2.394 -3.713 61 HE ARG 6 HE ARG 6 12.292 1.065 -1.689 62 HH11 ARG 6 1HH1 ARG 6 15.539 1.623 -2.814 63 HH12 ARG 6 2HH1 ARG 6 16.253 1.438 -1.246 64 HH21 ARG 6 1HH2 ARG 6 13.220 0.820 0.380 65 HH22 ARG 6 2HH2 ARG 6 14.933 0.980 0.569 66 H LYS 7 H LYS 7 12.813 2.024 -6.251 67 HA LYS 7 HA LYS 7 12.674 2.521 -9.151 68 HB2 LYS 7 2HB LYS 7 15.204 2.621 -7.505 69 HB3 LYS 7 3HB LYS 7 15.022 3.036 -9.204 70 HG2 LYS 7 2HG LYS 7 14.821 5.141 -8.531 71 HG3 LYS 7 3HG LYS 7 13.217 4.696 -7.943 72 HD2 LYS 7 2HD LYS 7 14.449 5.802 -6.181 73 HD3 LYS 7 3HD LYS 7 14.219 4.102 -5.763 74 HE2 LYS 7 2HE LYS 7 16.446 3.580 -6.123 75 HE3 LYS 7 3HE LYS 7 16.706 4.970 -7.176 76 HZ1 LYS 7 3HZ LYS 7 16.430 4.973 -4.224 77 HZ2 LYS 7 1HZ LYS 7 16.395 6.383 -5.158 78 HZ3 LYS 7 2HZ LYS 7 17.784 5.418 -5.134 79 H ARG 8 H ARG 8 12.608 0.214 -6.877 80 HA ARG 8 HA ARG 8 14.499 -1.672 -7.896 81 HB2 ARG 8 2HB ARG 8 12.585 -1.532 -5.731 82 HB3 ARG 8 3HB ARG 8 12.491 -3.087 -6.547 83 HG2 ARG 8 2HG ARG 8 14.039 -3.366 -4.804 84 HG3 ARG 8 3HG ARG 8 14.999 -3.235 -6.278 85 HD2 ARG 8 2HD ARG 8 15.131 -0.726 -5.706 86 HD3 ARG 8 3HD ARG 8 14.605 -1.217 -4.096 87 HE ARG 8 HE ARG 8 16.687 -2.100 -3.718 88 HH11 ARG 8 1HH1 ARG 8 16.310 -1.444 -7.116 89 HH12 ARG 8 2HH1 ARG 8 17.973 -1.750 -7.493 90 HH21 ARG 8 1HH2 ARG 8 18.879 -2.505 -4.202 91 HH22 ARG 8 2HH2 ARG 8 19.434 -2.354 -5.835 92 H TRP 9 H TRP 9 10.981 -1.281 -8.203 93 HA TRP 9 HA TRP 9 11.082 -3.078 -10.538 94 HB2 TRP 9 2HB TRP 9 9.151 -2.909 -8.278 95 HB3 TRP 9 3HB TRP 9 8.505 -3.278 -9.874 96 HD1 TRP 9 HD1 TRP 9 11.246 -4.643 -7.487 97 HE1 TRP 9 HE1 TRP 9 11.369 -7.194 -7.803 98 HE3 TRP 9 HE3 TRP 9 7.829 -5.158 -11.254 99 HZ2 TRP 9 HZ2 TRP 9 10.175 -9.164 -9.434 100 HZ3 TRP 9 HZ3 TRP 9 7.377 -7.410 -12.136 101 HH2 TRP 9 HH2 TRP 9 8.527 -9.370 -11.244 102 H ILE 10 H ILE 10 11.644 -0.816 -11.438 103 HA ILE 10 HA ILE 10 9.697 1.183 -11.678 104 HB ILE 10 HB ILE 10 11.755 0.542 -13.786 105 HG12 ILE 10 2HG1 ILE 10 12.746 2.536 -12.068 106 HG13 ILE 10 3HG1 ILE 10 12.145 1.260 -11.016 107 HG21 ILE 10 1HG2 ILE 10 10.148 2.944 -13.034 108 HG22 ILE 10 2HG2 ILE 10 11.718 3.146 -13.808 109 HG23 ILE 10 3HG2 ILE 10 10.442 2.244 -14.625 110 HD11 ILE 10 3HD1 ILE 10 14.596 1.202 -11.815 111 HD12 ILE 10 1HD1 ILE 10 13.653 -0.289 -11.822 112 HD13 ILE 10 2HD1 ILE 10 13.916 0.597 -13.325 113 H PHE 11 H PHE 11 9.465 -1.917 -12.714 114 HA PHE 11 HA PHE 11 7.925 -1.259 -15.124 115 HB2 PHE 11 2HB PHE 11 7.938 -3.974 -15.054 116 HB3 PHE 11 3HB PHE 11 9.166 -3.004 -15.861 117 HD1 PHE 11 HD2 PHE 11 11.060 -2.149 -14.121 118 HD2 PHE 11 HD1 PHE 11 8.711 -5.678 -13.747 119 HE1 PHE 11 HE2 PHE 11 12.791 -3.144 -12.684 120 HE2 PHE 11 HE1 PHE 11 10.438 -6.679 -12.308 121 HZ PHE 11 HZ PHE 11 12.482 -5.412 -11.776 122 H ILE 12 H ILE 12 7.636 -3.643 -12.485 123 HA ILE 12 HA ILE 12 4.912 -2.772 -11.969 124 HB ILE 12 HB ILE 12 4.245 -5.302 -12.029 125 HG12 ILE 12 2HG1 ILE 12 6.826 -5.571 -12.909 126 HG13 ILE 12 3HG1 ILE 12 5.543 -6.747 -13.176 127 HG21 ILE 12 1HG2 ILE 12 3.119 -3.658 -13.346 128 HG22 ILE 12 2HG2 ILE 12 4.481 -3.541 -14.460 129 HG23 ILE 12 3HG2 ILE 12 3.514 -5.014 -14.401 130 HD11 ILE 12 3HD1 ILE 12 6.092 -4.512 -15.098 131 HD12 ILE 12 1HD1 ILE 12 6.921 -6.066 -15.185 132 HD13 ILE 12 2HD1 ILE 12 5.167 -5.991 -15.363 Start of MODEL 18 1 H1 TYR 1 H TYR 1 1.493 -0.130 0.922 2 HA TYR 1 HA TYR 1 1.179 -0.146 -2.005 3 HB2 TYR 1 2HB TYR 1 2.759 1.456 -2.168 4 HB3 TYR 1 3HB TYR 1 2.418 1.742 -0.465 5 HD1 TYR 1 HD2 TYR 1 4.785 0.304 -2.860 6 HD2 TYR 1 HD1 TYR 1 3.970 1.012 1.255 7 HE1 TYR 1 HE2 TYR 1 7.125 -0.222 -2.312 8 HE2 TYR 1 HE1 TYR 1 6.307 0.488 1.815 9 HH TYR 1 HH TYR 1 8.356 0.102 0.988 10 H VAL 2 H VAL 2 3.126 -1.056 -3.176 11 HA VAL 2 HA VAL 2 3.474 -3.757 -2.458 12 HB VAL 2 HB VAL 2 3.663 -2.707 -4.786 13 HG11 VAL 2 1HG1 VAL 2 5.365 -1.364 -5.271 14 HG12 VAL 2 2HG1 VAL 2 5.836 -1.415 -3.571 15 HG13 VAL 2 3HG1 VAL 2 6.530 -2.565 -4.715 16 HG21 VAL 2 3HG2 VAL 2 4.827 -5.027 -3.634 17 HG22 VAL 2 1HG2 VAL 2 4.258 -4.785 -5.286 18 HG23 VAL 2 2HG2 VAL 2 5.930 -4.414 -4.866 19 H LEU 3 H LEU 3 6.370 -3.795 -3.239 20 HA LEU 3 HA LEU 3 7.564 -2.852 -0.723 21 HB2 LEU 3 2HB LEU 3 8.715 -4.886 -0.385 22 HB3 LEU 3 3HB LEU 3 7.027 -5.300 -0.675 23 HG LEU 3 HG LEU 3 8.407 -6.902 -1.792 24 HD11 LEU 3 1HD1 LEU 3 7.533 -5.086 -4.006 25 HD12 LEU 3 2HD1 LEU 3 6.353 -5.854 -2.944 26 HD13 LEU 3 3HD1 LEU 3 7.450 -6.845 -3.905 27 HD21 LEU 3 3HD2 LEU 3 10.298 -6.461 -2.939 28 HD22 LEU 3 1HD2 LEU 3 10.274 -4.971 -1.995 29 HD23 LEU 3 2HD2 LEU 3 9.654 -4.979 -3.646 30 H TRP 4 H TRP 4 7.794 -3.361 -4.115 31 HA TRP 4 HA TRP 4 10.508 -2.210 -4.096 32 HB2 TRP 4 2HB TRP 4 10.573 -3.336 -6.468 33 HB3 TRP 4 3HB TRP 4 10.903 -4.290 -5.024 34 HD1 TRP 4 HD1 TRP 4 9.870 -6.600 -5.365 35 HE1 TRP 4 HE1 TRP 4 7.629 -7.512 -6.243 36 HE3 TRP 4 HE3 TRP 4 7.705 -2.194 -6.793 37 HZ2 TRP 4 HZ2 TRP 4 5.257 -6.497 -7.390 38 HZ3 TRP 4 HZ3 TRP 4 5.449 -2.252 -7.772 39 HH2 TRP 4 HH2 TRP 4 4.252 -4.360 -8.065 40 H LYS 5 H LYS 5 8.011 -0.763 -4.065 41 HA LYS 5 HA LYS 5 7.465 0.181 -6.717 42 HB2 LYS 5 2HB LYS 5 6.222 0.358 -4.201 43 HB3 LYS 5 3HB LYS 5 6.621 2.011 -4.649 44 HG2 LYS 5 2HG LYS 5 5.311 1.922 -6.588 45 HG3 LYS 5 3HG LYS 5 5.209 0.161 -6.540 46 HD2 LYS 5 2HD LYS 5 3.738 0.204 -4.686 47 HD3 LYS 5 3HD LYS 5 4.054 1.915 -4.384 48 HE2 LYS 5 2HE LYS 5 3.003 1.263 -7.057 49 HE3 LYS 5 3HE LYS 5 1.895 0.979 -5.716 50 HZ1 LYS 5 3HZ LYS 5 2.750 3.376 -5.059 51 HZ2 LYS 5 1HZ LYS 5 1.444 3.148 -6.110 52 HZ3 LYS 5 2HZ LYS 5 2.980 3.491 -6.731 53 H ARG 6 H ARG 6 10.025 0.659 -4.689 54 HA ARG 6 HA ARG 6 10.457 3.464 -5.074 55 HB2 ARG 6 2HB ARG 6 11.418 2.380 -3.141 56 HB3 ARG 6 3HB ARG 6 12.296 1.248 -4.162 57 HG2 ARG 6 2HG ARG 6 13.567 3.228 -3.134 58 HG3 ARG 6 3HG ARG 6 13.832 2.848 -4.837 59 HD2 ARG 6 2HD ARG 6 13.539 5.277 -4.367 60 HD3 ARG 6 3HD ARG 6 12.384 4.622 -5.526 61 HE ARG 6 HE ARG 6 10.704 5.153 -4.077 62 HH11 ARG 6 1HH1 ARG 6 13.712 5.084 -2.327 63 HH12 ARG 6 2HH1 ARG 6 13.021 5.683 -0.855 64 HH21 ARG 6 1HH2 ARG 6 9.781 5.943 -2.146 65 HH22 ARG 6 2HH2 ARG 6 10.784 6.170 -0.753 66 H LYS 7 H LYS 7 13.049 1.272 -5.839 67 HA LYS 7 HA LYS 7 12.973 2.154 -8.647 68 HB2 LYS 7 2HB LYS 7 14.745 3.197 -6.952 69 HB3 LYS 7 3HB LYS 7 15.612 1.716 -7.336 70 HG2 LYS 7 2HG LYS 7 15.612 2.269 -9.680 71 HG3 LYS 7 3HG LYS 7 14.613 3.693 -9.377 72 HD2 LYS 7 2HD LYS 7 16.873 4.428 -9.620 73 HD3 LYS 7 3HD LYS 7 16.447 4.563 -7.912 74 HE2 LYS 7 2HE LYS 7 17.449 2.047 -7.995 75 HE3 LYS 7 3HE LYS 7 18.412 2.826 -9.250 76 HZ1 LYS 7 3HZ LYS 7 19.604 3.865 -7.716 77 HZ2 LYS 7 1HZ LYS 7 18.817 2.954 -6.527 78 HZ3 LYS 7 2HZ LYS 7 18.225 4.480 -6.954 79 H ARG 8 H ARG 8 12.808 -0.403 -6.617 80 HA ARG 8 HA ARG 8 14.514 -2.285 -7.909 81 HB2 ARG 8 2HB ARG 8 12.382 -2.378 -5.846 82 HB3 ARG 8 3HB ARG 8 12.700 -3.870 -6.721 83 HG2 ARG 8 2HG ARG 8 13.959 -3.675 -4.606 84 HG3 ARG 8 3HG ARG 8 14.995 -3.859 -6.023 85 HD2 ARG 8 2HD ARG 8 15.628 -1.598 -5.988 86 HD3 ARG 8 3HD ARG 8 14.307 -1.159 -4.905 87 HE ARG 8 HE ARG 8 16.090 -3.018 -3.692 88 HH11 ARG 8 1HH1 ARG 8 15.692 0.343 -4.506 89 HH12 ARG 8 2HH1 ARG 8 16.724 0.908 -3.233 90 HH21 ARG 8 1HH2 ARG 8 17.450 -2.287 -2.013 91 HH22 ARG 8 2HH2 ARG 8 17.724 -0.589 -1.816 92 H TRP 9 H TRP 9 11.023 -1.636 -8.074 93 HA TRP 9 HA TRP 9 10.965 -3.124 -10.618 94 HB2 TRP 9 2HB TRP 9 9.092 -3.128 -8.302 95 HB3 TRP 9 3HB TRP 9 8.394 -3.254 -9.914 96 HD1 TRP 9 HD1 TRP 9 11.077 -5.071 -7.776 97 HE1 TRP 9 HE1 TRP 9 11.040 -7.563 -8.416 98 HE3 TRP 9 HE3 TRP 9 7.596 -4.897 -11.516 99 HZ2 TRP 9 HZ2 TRP 9 9.712 -9.235 -10.262 100 HZ3 TRP 9 HZ3 TRP 9 6.998 -6.988 -12.669 101 HH2 TRP 9 HH2 TRP 9 8.036 -9.110 -12.054 102 H ILE 10 H ILE 10 11.650 -0.799 -11.234 103 HA ILE 10 HA ILE 10 9.825 1.324 -11.170 104 HB ILE 10 HB ILE 10 11.854 0.802 -13.343 105 HG12 ILE 10 2HG1 ILE 10 12.239 2.288 -10.736 106 HG13 ILE 10 3HG1 ILE 10 12.820 0.655 -11.045 107 HG21 ILE 10 1HG2 ILE 10 10.749 2.614 -14.141 108 HG22 ILE 10 2HG2 ILE 10 10.183 3.110 -12.547 109 HG23 ILE 10 3HG2 ILE 10 11.842 3.452 -13.040 110 HD11 ILE 10 3HD1 ILE 10 14.666 1.467 -11.939 111 HD12 ILE 10 1HD1 ILE 10 13.725 2.352 -13.139 112 HD13 ILE 10 2HD1 ILE 10 14.103 3.100 -11.587 113 H PHE 11 H PHE 11 9.392 -1.599 -12.590 114 HA PHE 11 HA PHE 11 7.851 -0.547 -14.854 115 HB2 PHE 11 2HB PHE 11 7.705 -3.242 -15.141 116 HB3 PHE 11 3HB PHE 11 8.978 -2.247 -15.841 117 HD1 PHE 11 HD2 PHE 11 10.945 -1.741 -14.046 118 HD2 PHE 11 HD1 PHE 11 8.391 -5.146 -14.085 119 HE1 PHE 11 HE2 PHE 11 12.632 -3.017 -12.790 120 HE2 PHE 11 HE1 PHE 11 10.073 -6.427 -12.828 121 HZ PHE 11 HZ PHE 11 12.198 -5.363 -12.179 122 H ILE 12 H ILE 12 7.473 -3.226 -12.527 123 HA ILE 12 HA ILE 12 4.813 -2.283 -11.839 124 HB ILE 12 HB ILE 12 4.001 -4.744 -12.205 125 HG12 ILE 12 2HG1 ILE 12 6.545 -5.033 -13.185 126 HG13 ILE 12 3HG1 ILE 12 5.193 -6.095 -13.562 127 HG21 ILE 12 1HG2 ILE 12 3.235 -4.112 -14.495 128 HG22 ILE 12 2HG2 ILE 12 2.947 -2.882 -13.266 129 HG23 ILE 12 3HG2 ILE 12 4.287 -2.700 -14.398 130 HD11 ILE 12 3HD1 ILE 12 5.828 -3.664 -15.199 131 HD12 ILE 12 1HD1 ILE 12 6.558 -5.239 -15.509 132 HD13 ILE 12 2HD1 ILE 12 4.809 -5.040 -15.623 Start of MODEL 19 1 H1 TYR 1 H TYR 1 1.502 0.533 0.692 2 HA TYR 1 HA TYR 1 1.134 0.396 -2.227 3 HB2 TYR 1 2HB TYR 1 2.616 2.058 -2.599 4 HB3 TYR 1 3HB TYR 1 2.274 2.514 -0.934 5 HD1 TYR 1 HD2 TYR 1 4.704 0.955 -3.188 6 HD2 TYR 1 HD1 TYR 1 3.884 2.085 0.831 7 HE1 TYR 1 HE2 TYR 1 7.075 0.637 -2.621 8 HE2 TYR 1 HE1 TYR 1 6.253 1.771 1.409 9 HH TYR 1 HH TYR 1 8.482 1.819 0.128 10 H VAL 2 H VAL 2 3.122 -0.512 -3.336 11 HA VAL 2 HA VAL 2 3.643 -3.097 -2.348 12 HB VAL 2 HB VAL 2 3.744 -2.284 -4.775 13 HG11 VAL 2 1HG1 VAL 2 6.596 -1.968 -4.768 14 HG12 VAL 2 2HG1 VAL 2 5.355 -0.896 -5.420 15 HG13 VAL 2 3HG1 VAL 2 5.850 -0.751 -3.733 16 HG21 VAL 2 3HG2 VAL 2 4.459 -4.366 -5.068 17 HG22 VAL 2 1HG2 VAL 2 6.109 -3.853 -4.714 18 HG23 VAL 2 2HG2 VAL 2 5.055 -4.401 -3.409 19 H LEU 3 H LEU 3 6.525 -3.051 -3.164 20 HA LEU 3 HA LEU 3 7.687 -1.777 -0.782 21 HB2 LEU 3 2HB LEU 3 8.961 -3.695 -0.252 22 HB3 LEU 3 3HB LEU 3 7.297 -4.233 -0.467 23 HG LEU 3 HG LEU 3 8.754 -5.863 -1.433 24 HD11 LEU 3 1HD1 LEU 3 7.754 -4.348 -3.811 25 HD12 LEU 3 2HD1 LEU 3 6.631 -5.059 -2.653 26 HD13 LEU 3 3HD1 LEU 3 7.770 -6.087 -3.521 27 HD21 LEU 3 3HD2 LEU 3 10.602 -5.441 -2.656 28 HD22 LEU 3 1HD2 LEU 3 10.506 -3.866 -1.868 29 HD23 LEU 3 2HD2 LEU 3 9.867 -4.077 -3.498 30 H TRP 4 H TRP 4 7.915 -2.633 -4.105 31 HA TRP 4 HA TRP 4 10.555 -1.330 -4.252 32 HB2 TRP 4 2HB TRP 4 10.663 -2.697 -6.493 33 HB3 TRP 4 3HB TRP 4 11.064 -3.470 -4.962 34 HD1 TRP 4 HD1 TRP 4 10.163 -5.859 -5.030 35 HE1 TRP 4 HE1 TRP 4 7.973 -6.988 -5.772 36 HE3 TRP 4 HE3 TRP 4 7.733 -1.768 -6.900 37 HZ2 TRP 4 HZ2 TRP 4 5.537 -6.244 -6.989 38 HZ3 TRP 4 HZ3 TRP 4 5.477 -2.062 -7.835 39 HH2 TRP 4 HH2 TRP 4 4.403 -4.255 -7.879 40 H LYS 5 H LYS 5 7.969 -0.042 -4.336 41 HA LYS 5 HA LYS 5 7.323 0.576 -7.054 42 HB2 LYS 5 2HB LYS 5 6.135 0.980 -4.544 43 HB3 LYS 5 3HB LYS 5 6.456 2.592 -5.171 44 HG2 LYS 5 2HG LYS 5 5.115 2.241 -7.066 45 HG3 LYS 5 3HG LYS 5 5.067 0.495 -6.807 46 HD2 LYS 5 2HD LYS 5 3.577 0.680 -5.023 47 HD3 LYS 5 3HD LYS 5 3.951 2.385 -4.764 48 HE2 LYS 5 2HE LYS 5 1.734 2.045 -5.784 49 HE3 LYS 5 3HE LYS 5 2.815 2.983 -6.813 50 HZ1 LYS 5 3HZ LYS 5 1.460 0.626 -7.441 51 HZ2 LYS 5 1HZ LYS 5 3.113 0.265 -7.435 52 HZ3 LYS 5 2HZ LYS 5 2.523 1.508 -8.418 53 H ARG 6 H ARG 6 9.906 1.410 -5.168 54 HA ARG 6 HA ARG 6 10.194 4.164 -5.889 55 HB2 ARG 6 2HB ARG 6 12.668 3.584 -5.183 56 HB3 ARG 6 3HB ARG 6 11.392 3.718 -3.981 57 HG2 ARG 6 2HG ARG 6 11.442 1.520 -3.482 58 HG3 ARG 6 3HG ARG 6 11.798 1.040 -5.142 59 HD2 ARG 6 2HD ARG 6 13.875 0.647 -4.422 60 HD3 ARG 6 3HD ARG 6 14.067 2.399 -4.390 61 HE ARG 6 HE ARG 6 12.941 1.703 -1.968 62 HH11 ARG 6 1HH1 ARG 6 15.867 0.994 -3.717 63 HH12 ARG 6 2HH1 ARG 6 16.819 0.762 -2.288 64 HH21 ARG 6 1HH2 ARG 6 14.184 1.401 -0.080 65 HH22 ARG 6 2HH2 ARG 6 15.861 0.993 -0.220 66 H LYS 7 H LYS 7 12.940 2.150 -6.467 67 HA LYS 7 HA LYS 7 12.700 2.620 -9.365 68 HB2 LYS 7 2HB LYS 7 15.263 2.769 -7.771 69 HB3 LYS 7 3HB LYS 7 15.068 3.104 -9.487 70 HG2 LYS 7 2HG LYS 7 14.444 5.204 -9.109 71 HG3 LYS 7 3HG LYS 7 13.318 4.728 -7.835 72 HD2 LYS 7 2HD LYS 7 16.305 4.969 -7.487 73 HD3 LYS 7 3HD LYS 7 15.138 6.215 -7.038 74 HE2 LYS 7 2HE LYS 7 14.493 3.579 -5.965 75 HE3 LYS 7 3HE LYS 7 16.049 4.196 -5.410 76 HZ1 LYS 7 3HZ LYS 7 14.889 6.263 -4.761 77 HZ2 LYS 7 1HZ LYS 7 14.353 4.904 -3.906 78 HZ3 LYS 7 2HZ LYS 7 13.414 5.539 -5.162 79 H ARG 8 H ARG 8 12.695 0.326 -7.088 80 HA ARG 8 HA ARG 8 14.564 -1.560 -8.154 81 HB2 ARG 8 2HB ARG 8 12.775 -1.394 -5.904 82 HB3 ARG 8 3HB ARG 8 12.574 -2.942 -6.714 83 HG2 ARG 8 2HG ARG 8 14.270 -3.576 -5.398 84 HG3 ARG 8 3HG ARG 8 15.269 -2.780 -6.617 85 HD2 ARG 8 2HD ARG 8 15.164 -0.699 -5.286 86 HD3 ARG 8 3HD ARG 8 14.254 -1.565 -4.050 87 HE ARG 8 HE ARG 8 17.076 -1.643 -4.474 88 HH11 ARG 8 1HH1 ARG 8 14.349 -3.496 -3.356 89 HH12 ARG 8 2HH1 ARG 8 15.296 -4.509 -2.318 90 HH21 ARG 8 1HH2 ARG 8 18.335 -2.970 -3.111 91 HH22 ARG 8 2HH2 ARG 8 17.563 -4.208 -2.179 92 H TRP 9 H TRP 9 11.037 -1.177 -8.336 93 HA TRP 9 HA TRP 9 11.055 -2.997 -10.655 94 HB2 TRP 9 2HB TRP 9 9.205 -2.802 -8.330 95 HB3 TRP 9 3HB TRP 9 8.502 -3.188 -9.899 96 HD1 TRP 9 HD1 TRP 9 11.317 -4.530 -7.587 97 HE1 TRP 9 HE1 TRP 9 11.429 -7.085 -7.882 98 HE3 TRP 9 HE3 TRP 9 7.788 -5.080 -11.245 99 HZ2 TRP 9 HZ2 TRP 9 10.187 -9.070 -9.458 100 HZ3 TRP 9 HZ3 TRP 9 7.310 -7.340 -12.092 101 HH2 TRP 9 HH2 TRP 9 8.486 -9.292 -11.216 102 H ILE 10 H ILE 10 11.587 -0.744 -11.595 103 HA ILE 10 HA ILE 10 9.630 1.251 -11.791 104 HB ILE 10 HB ILE 10 11.621 0.600 -13.956 105 HG12 ILE 10 2HG1 ILE 10 12.677 2.600 -12.294 106 HG13 ILE 10 3HG1 ILE 10 12.094 1.349 -11.202 107 HG21 ILE 10 1HG2 ILE 10 9.966 2.952 -13.214 108 HG22 ILE 10 2HG2 ILE 10 11.563 3.241 -13.901 109 HG23 ILE 10 3HG2 ILE 10 10.370 2.309 -14.805 110 HD11 ILE 10 3HD1 ILE 10 13.787 0.623 -13.550 111 HD12 ILE 10 1HD1 ILE 10 14.521 1.254 -12.076 112 HD13 ILE 10 2HD1 ILE 10 13.564 -0.228 -12.022 113 H PHE 11 H PHE 11 9.369 -1.857 -12.787 114 HA PHE 11 HA PHE 11 7.758 -1.224 -15.158 115 HB2 PHE 11 2HB PHE 11 7.777 -3.938 -15.062 116 HB3 PHE 11 3HB PHE 11 8.979 -2.975 -15.915 117 HD1 PHE 11 HD2 PHE 11 10.923 -2.100 -14.241 118 HD2 PHE 11 HD1 PHE 11 8.591 -5.629 -13.762 119 HE1 PHE 11 HE2 PHE 11 12.698 -3.080 -12.847 120 HE2 PHE 11 HE1 PHE 11 10.362 -6.614 -12.366 121 HZ PHE 11 HZ PHE 11 12.419 -5.339 -11.908 122 H ILE 12 H ILE 12 7.552 -3.580 -12.486 123 HA ILE 12 HA ILE 12 4.843 -2.709 -11.899 124 HB ILE 12 HB ILE 12 4.179 -5.240 -11.912 125 HG12 ILE 12 2HG1 ILE 12 6.734 -5.514 -12.866 126 HG13 ILE 12 3HG1 ILE 12 5.446 -6.695 -13.083 127 HG21 ILE 12 1HG2 ILE 12 4.339 -3.505 -14.369 128 HG22 ILE 12 2HG2 ILE 12 3.379 -4.980 -14.265 129 HG23 ILE 12 3HG2 ILE 12 3.011 -3.613 -13.213 130 HD11 ILE 12 3HD1 ILE 12 5.002 -5.963 -15.265 131 HD12 ILE 12 1HD1 ILE 12 5.932 -4.481 -15.045 132 HD13 ILE 12 2HD1 ILE 12 6.759 -6.036 -15.139 Start of MODEL 20 1 H1 TYR 1 H TYR 1 1.398 -0.288 0.751 2 HA TYR 1 HA TYR 1 1.135 -0.001 -2.167 3 HB2 TYR 1 2HB TYR 1 2.747 1.573 -2.286 4 HB3 TYR 1 3HB TYR 1 2.389 1.839 -0.583 5 HD1 TYR 1 HD1 TYR 1 4.760 0.391 -2.970 6 HD2 TYR 1 HD2 TYR 1 3.905 1.054 1.145 7 HE1 TYR 1 HE1 TYR 1 7.082 -0.187 -2.401 8 HE2 TYR 1 HE2 TYR 1 6.224 0.479 1.725 9 HH TYR 1 HH TYR 1 8.555 -0.500 -0.771 10 H VAL 2 H VAL 2 3.076 -0.931 -3.330 11 HA VAL 2 HA VAL 2 3.366 -3.648 -2.650 12 HB VAL 2 HB VAL 2 3.603 -2.567 -4.959 13 HG11 VAL 2 1HG1 VAL 2 5.781 -1.332 -3.698 14 HG12 VAL 2 2HG1 VAL 2 6.470 -2.476 -4.852 15 HG13 VAL 2 3HG1 VAL 2 5.332 -1.245 -5.401 16 HG21 VAL 2 3HG2 VAL 2 4.712 -4.925 -3.829 17 HG22 VAL 2 1HG2 VAL 2 4.167 -4.648 -5.484 18 HG23 VAL 2 2HG2 VAL 2 5.840 -4.312 -5.039 19 H LEU 3 H LEU 3 6.269 -3.730 -3.396 20 HA LEU 3 HA LEU 3 7.451 -2.848 -0.853 21 HB2 LEU 3 2HB LEU 3 8.555 -4.909 -0.529 22 HB3 LEU 3 3HB LEU 3 6.864 -5.287 -0.851 23 HG LEU 3 HG LEU 3 8.231 -6.897 -1.972 24 HD11 LEU 3 1HD1 LEU 3 6.216 -5.795 -3.138 25 HD12 LEU 3 2HD1 LEU 3 7.310 -6.788 -4.100 26 HD13 LEU 3 3HD1 LEU 3 7.425 -5.030 -4.170 27 HD21 LEU 3 3HD2 LEU 3 9.543 -4.975 -3.779 28 HD22 LEU 3 1HD2 LEU 3 10.149 -6.475 -3.077 29 HD23 LEU 3 2HD2 LEU 3 10.135 -4.995 -2.118 30 H TRP 4 H TRP 4 7.711 -3.310 -4.249 31 HA TRP 4 HA TRP 4 10.443 -2.205 -4.181 32 HB2 TRP 4 2HB TRP 4 10.537 -3.311 -6.557 33 HB3 TRP 4 3HB TRP 4 10.815 -4.288 -5.118 34 HD1 TRP 4 HD1 TRP 4 9.756 -6.576 -5.536 35 HE1 TRP 4 HE1 TRP 4 7.512 -7.430 -6.465 36 HE3 TRP 4 HE3 TRP 4 7.684 -2.104 -6.895 37 HZ2 TRP 4 HZ2 TRP 4 5.174 -6.352 -7.621 38 HZ3 TRP 4 HZ3 TRP 4 5.441 -2.103 -7.907 39 HH2 TRP 4 HH2 TRP 4 4.214 -4.183 -8.262 40 H LYS 5 H LYS 5 7.962 -0.727 -4.175 41 HA LYS 5 HA LYS 5 7.445 0.242 -6.817 42 HB2 LYS 5 2HB LYS 5 6.215 0.449 -4.302 43 HB3 LYS 5 3HB LYS 5 6.667 2.092 -4.738 44 HG2 LYS 5 2HG LYS 5 5.349 2.064 -6.671 45 HG3 LYS 5 3HG LYS 5 5.195 0.306 -6.644 46 HD2 LYS 5 2HD LYS 5 3.675 0.350 -4.871 47 HD3 LYS 5 3HD LYS 5 4.126 1.991 -4.404 48 HE2 LYS 5 2HE LYS 5 2.232 2.546 -5.490 49 HE3 LYS 5 3HE LYS 5 3.251 2.418 -6.923 50 HZ1 LYS 5 3HZ LYS 5 2.258 0.514 -7.571 51 HZ2 LYS 5 1HZ LYS 5 0.964 1.122 -6.665 52 HZ3 LYS 5 2HZ LYS 5 1.995 -0.039 -5.994 53 H ARG 6 H ARG 6 10.022 0.662 -4.790 54 HA ARG 6 HA ARG 6 10.529 3.451 -5.188 55 HB2 ARG 6 2HB ARG 6 11.455 2.286 -3.258 56 HB3 ARG 6 3HB ARG 6 12.358 1.209 -4.315 57 HG2 ARG 6 2HG ARG 6 13.654 3.092 -3.243 58 HG3 ARG 6 3HG ARG 6 13.816 2.923 -4.992 59 HD2 ARG 6 2HD ARG 6 12.467 4.783 -5.414 60 HD3 ARG 6 3HD ARG 6 11.778 4.764 -3.792 61 HE ARG 6 HE ARG 6 14.160 6.085 -4.620 62 HH11 ARG 6 1HH1 ARG 6 12.674 4.436 -1.937 63 HH12 ARG 6 2HH1 ARG 6 13.610 5.268 -0.739 64 HH21 ARG 6 1HH2 ARG 6 15.397 7.187 -3.052 65 HH22 ARG 6 2HH2 ARG 6 15.158 6.833 -1.374 66 H LYS 7 H LYS 7 13.091 1.236 -5.943 67 HA LYS 7 HA LYS 7 12.998 2.063 -8.767 68 HB2 LYS 7 2HB LYS 7 15.456 1.928 -7.011 69 HB3 LYS 7 3HB LYS 7 15.461 2.255 -8.739 70 HG2 LYS 7 2HG LYS 7 14.891 4.399 -8.459 71 HG3 LYS 7 3HG LYS 7 13.720 4.026 -7.192 72 HD2 LYS 7 2HD LYS 7 15.694 5.413 -6.470 73 HD3 LYS 7 3HD LYS 7 15.415 3.945 -5.530 74 HE2 LYS 7 2HE LYS 7 17.192 2.810 -6.620 75 HE3 LYS 7 3HE LYS 7 17.340 4.073 -7.841 76 HZ1 LYS 7 3HZ LYS 7 18.438 3.952 -5.177 77 HZ2 LYS 7 1HZ LYS 7 17.723 5.438 -5.556 78 HZ3 LYS 7 2HZ LYS 7 18.965 4.825 -6.527 79 H ARG 8 H ARG 8 12.814 -0.453 -6.714 80 HA ARG 8 HA ARG 8 14.550 -2.349 -7.954 81 HB2 ARG 8 2HB ARG 8 12.349 -2.461 -5.942 82 HB3 ARG 8 3HB ARG 8 12.830 -3.955 -6.736 83 HG2 ARG 8 2HG ARG 8 13.975 -3.637 -4.601 84 HG3 ARG 8 3HG ARG 8 15.106 -3.670 -5.955 85 HD2 ARG 8 2HD ARG 8 15.438 -1.342 -5.870 86 HD3 ARG 8 3HD ARG 8 14.027 -1.099 -4.840 87 HE ARG 8 HE ARG 8 15.859 -2.737 -3.492 88 HH11 ARG 8 1HH1 ARG 8 15.521 0.548 -4.592 89 HH12 ARG 8 2HH1 ARG 8 16.524 1.208 -3.343 90 HH21 ARG 8 1HH2 ARG 8 17.181 -1.881 -1.842 91 HH22 ARG 8 2HH2 ARG 8 17.468 -0.175 -1.780 92 H TRP 9 H TRP 9 11.103 -1.586 -8.230 93 HA TRP 9 HA TRP 9 11.029 -3.220 -10.682 94 HB2 TRP 9 2HB TRP 9 9.153 -3.069 -8.390 95 HB3 TRP 9 3HB TRP 9 8.424 -3.148 -9.992 96 HD1 TRP 9 HD1 TRP 9 11.119 -5.127 -8.004 97 HE1 TRP 9 HE1 TRP 9 10.857 -7.618 -8.595 98 HE3 TRP 9 HE3 TRP 9 7.336 -4.757 -11.423 99 HZ2 TRP 9 HZ2 TRP 9 9.259 -9.215 -10.287 100 HZ3 TRP 9 HZ3 TRP 9 6.498 -6.814 -12.482 101 HH2 TRP 9 HH2 TRP 9 7.442 -8.996 -11.925 102 H ILE 10 H ILE 10 11.818 -0.997 -11.451 103 HA ILE 10 HA ILE 10 10.123 1.229 -11.522 104 HB ILE 10 HB ILE 10 12.054 0.480 -13.712 105 HG12 ILE 10 2HG1 ILE 10 13.342 2.223 -11.956 106 HG13 ILE 10 3HG1 ILE 10 12.554 1.049 -10.907 107 HG21 ILE 10 1HG2 ILE 10 10.639 2.942 -12.873 108 HG22 ILE 10 2HG2 ILE 10 12.296 3.118 -13.447 109 HG23 ILE 10 3HG2 ILE 10 11.078 2.379 -14.485 110 HD11 ILE 10 3HD1 ILE 10 14.344 0.316 -13.208 111 HD12 ILE 10 1HD1 ILE 10 14.882 0.470 -11.536 112 HD13 ILE 10 2HD1 ILE 10 13.693 -0.758 -11.971 113 H PHE 11 H PHE 11 9.550 -1.759 -12.789 114 HA PHE 11 HA PHE 11 8.033 -0.758 -15.090 115 HB2 PHE 11 2HB PHE 11 7.740 -3.444 -15.237 116 HB3 PHE 11 3HB PHE 11 9.081 -2.569 -15.970 117 HD1 PHE 11 HD2 PHE 11 11.065 -2.102 -14.191 118 HD2 PHE 11 HD1 PHE 11 8.287 -5.324 -14.063 119 HE1 PHE 11 HE2 PHE 11 12.655 -3.415 -12.849 120 HE2 PHE 11 HE1 PHE 11 9.872 -6.642 -12.719 121 HZ PHE 11 HZ PHE 11 12.060 -5.688 -12.112 122 H ILE 12 H ILE 12 7.500 -3.352 -12.703 123 HA ILE 12 HA ILE 12 4.734 -2.374 -12.408 124 HB ILE 12 HB ILE 12 5.352 -5.240 -11.894 125 HG12 ILE 12 2HG1 ILE 12 6.429 -4.915 -14.037 126 HG13 ILE 12 3HG1 ILE 12 4.909 -5.766 -14.288 127 HG21 ILE 12 1HG2 ILE 12 3.088 -5.571 -12.413 128 HG22 ILE 12 2HG2 ILE 12 3.128 -4.061 -11.503 129 HG23 ILE 12 3HG2 ILE 12 2.969 -4.028 -13.259 130 HD11 ILE 12 3HD1 ILE 12 5.811 -3.264 -15.371 131 HD12 ILE 12 1HD1 ILE 12 4.422 -4.252 -15.824 132 HD13 ILE 12 2HD1 ILE 12 4.276 -3.066 -14.526