*HEADER DE NOVO PROTEIN, ANTIMICROBIAL PROTEIN 01-DEC-08 SMS20060 *TITLE SOLUTION STRUCTURE OF DESIGNED PEPTIDE, YI12FF IN THE PRESENCE OF LPS *TITLE 2 BILAYER *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: YI12FF; *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 5.1 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 PHE HD1 5.5 2.0 2 VAL QG1 4 PHE HE1 5.5 2.0 2 VAL QG2 4 PHE HZ 4.0 2.0 2 VAL QG2 4 PHE HD1 5.0 2.0 2 VAL QG2 4 PHE 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 PHE H 3.5 2.0 3 LEU H 4 PHE H 2.6 2.0 3 LEU QB 4 PHE 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 PHE HD1 5.0 2.0 3 LEU QD1 4 PHE HE1 4.0 2.0 3 LEU QD1 4 PHE HZ 5.0 2.0 3 LEU QD2 4 PHE HD1 4.0 2.0 3 LEU QD2 4 PHE 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 PHE HA 5 LYS H 3.5 2.0 4 PHE H 5 LYS H 2.4 2.0 4 PHE QB 5 LYS H 4.0 2.0 4 PHE H 3 LEU QD1 3.5 2.0 4 PHE H 3 LEU QD2 3.5 2.0 4 PHE H 2 VAL QG1 3.6 2.0 4 PHE H 2 VAL QG2 3.6 2.0 4 PHE QB 3 LEU QD1 4.0 2.0 4 PHE QB 2 VAL QG1 4.0 2.0 4 PHE HA 6 ARG H 5.0 2.0 4 PHE QD 9 PHE QB 3.3 2.0 4 PHE QB 9 PHE QD 3.3 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 HA 9 PHE H 4.2 2.0 7 LYS QB 8 ARG H 3.5 2.0 8 ARG HA 9 PHE H 3.5 2.0 8 ARG H 9 PHE H 2.8 2.0 8 ARG HA 10 ILE H 4.3 2.0 8 ARG QB 9 PHE H 3.0 2.0 9 PHE HA 10 ILE H 3.5 2.0 9 PHE H 10 ILE H 3.2 2.0 9 PHE QB 11 PHE HD1 4.8 2.0 9 PHE 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 PHE QB 4.5 2.0 11 PHE HZ 9 PHE QB 4.4 2.0 6 ARG QG 8 ARG HD3 4.0 2.0 6 ARG QB 8 ARG QB 4.5 2.0 7 LYS QB 8 ARG QB 5.0 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 5.5 2.0 6 ARG H 8 ARG H 3.5 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 2.266 1.029 -1.524 3 HB2 TYR 1 2HB TYR 1 4.178 0.047 -0.760 4 HB3 TYR 1 3HB TYR 1 3.348 -1.415 -0.239 5 HD1 TYR 1 HD2 TYR 1 3.915 0.319 -3.510 6 HD2 TYR 1 HD1 TYR 1 4.093 -3.313 -1.301 7 HE1 TYR 1 HE2 TYR 1 4.734 -0.851 -5.512 8 HE2 TYR 1 HE1 TYR 1 4.914 -4.493 -3.296 9 HH TYR 1 HH TYR 1 5.028 -4.311 -5.627 10 H VAL 2 H VAL 2 2.000 0.633 -3.692 11 HA VAL 2 HA VAL 2 -0.082 -1.315 -4.364 12 HB VAL 2 HB VAL 2 -0.651 0.833 -5.161 13 HG11 VAL 2 1HG1 VAL 2 0.960 2.354 -5.363 14 HG12 VAL 2 2HG1 VAL 2 2.203 1.110 -5.510 15 HG13 VAL 2 3HG1 VAL 2 1.325 1.654 -6.940 16 HG21 VAL 2 3HG2 VAL 2 -1.265 0.138 -7.190 17 HG22 VAL 2 1HG2 VAL 2 0.404 0.079 -7.755 18 HG23 VAL 2 2HG2 VAL 2 -0.284 -1.297 -6.892 19 H LEU 3 H LEU 3 2.064 -0.142 -6.809 20 HA LEU 3 HA LEU 3 3.443 -2.734 -6.920 21 HB2 LEU 3 2HB LEU 3 3.100 -2.928 -9.265 22 HB3 LEU 3 3HB LEU 3 1.529 -2.672 -8.508 23 HG LEU 3 HG LEU 3 2.537 -0.135 -9.282 24 HD11 LEU 3 1HD1 LEU 3 2.648 -2.193 -11.482 25 HD12 LEU 3 2HD1 LEU 3 4.017 -1.298 -10.823 26 HD13 LEU 3 3HD1 LEU 3 2.745 -0.446 -11.699 27 HD21 LEU 3 3HD2 LEU 3 0.467 -1.396 -10.939 28 HD22 LEU 3 1HD2 LEU 3 0.430 0.108 -10.017 29 HD23 LEU 3 2HD2 LEU 3 0.156 -1.432 -9.202 30 H PHE 4 H PHE 4 3.410 0.685 -7.586 31 HA PHE 4 HA PHE 4 6.300 0.560 -8.151 32 HB2 PHE 4 2HB PHE 4 5.864 2.812 -9.332 33 HB3 PHE 4 3HB PHE 4 5.365 1.338 -10.156 34 HD1 PHE 4 HD2 PHE 4 3.942 3.755 -7.689 35 HD2 PHE 4 HD1 PHE 4 3.320 1.396 -11.178 36 HE1 PHE 4 HE2 PHE 4 1.654 4.641 -7.877 37 HE2 PHE 4 HE1 PHE 4 1.032 2.280 -11.371 38 HZ PHE 4 HZ PHE 4 0.196 3.903 -9.719 39 H LYS 5 H LYS 5 4.435 1.049 -5.695 40 HA LYS 5 HA LYS 5 5.537 3.628 -4.839 41 HB2 LYS 5 2HB LYS 5 3.148 2.038 -4.131 42 HB3 LYS 5 3HB LYS 5 3.926 2.873 -2.793 43 HG2 LYS 5 2HG LYS 5 3.787 4.977 -4.145 44 HG3 LYS 5 3HG LYS 5 2.797 4.084 -5.303 45 HD2 LYS 5 2HD LYS 5 1.228 3.546 -3.442 46 HD3 LYS 5 3HD LYS 5 2.178 4.604 -2.396 47 HE2 LYS 5 2HE LYS 5 0.482 6.006 -3.112 48 HE3 LYS 5 3HE LYS 5 1.781 6.375 -4.246 49 HZ1 LYS 5 3HZ LYS 5 -0.156 6.120 -5.525 50 HZ2 LYS 5 1HZ LYS 5 -0.624 4.711 -4.713 51 HZ3 LYS 5 2HZ LYS 5 0.710 4.685 -5.751 52 H ARG 6 H ARG 6 6.402 0.474 -4.759 53 HA ARG 6 HA ARG 6 7.140 0.031 -2.078 54 HB2 ARG 6 2HB ARG 6 7.079 -1.850 -3.519 55 HB3 ARG 6 3HB ARG 6 8.150 -1.086 -4.686 56 HG2 ARG 6 2HG ARG 6 9.972 -1.836 -3.655 57 HG3 ARG 6 3HG ARG 6 9.374 -1.347 -2.068 58 HD2 ARG 6 2HD ARG 6 9.685 -3.742 -2.116 59 HD3 ARG 6 3HD ARG 6 7.965 -3.369 -2.008 60 HE ARG 6 HE ARG 6 8.590 -3.664 -4.703 61 HH11 ARG 6 1HH1 ARG 6 8.526 -5.600 -1.811 62 HH12 ARG 6 2HH1 ARG 6 8.196 -7.078 -2.652 63 HH21 ARG 6 1HH2 ARG 6 8.155 -5.604 -5.822 64 HH22 ARG 6 2HH2 ARG 6 7.986 -7.080 -4.933 65 H LYS 7 H LYS 7 9.571 0.340 -4.629 66 HA LYS 7 HA LYS 7 11.035 2.233 -2.908 67 HB2 LYS 7 2HB LYS 7 12.136 -0.028 -4.584 68 HB3 LYS 7 3HB LYS 7 13.130 1.209 -3.825 69 HG2 LYS 7 2HG LYS 7 12.555 0.467 -1.653 70 HG3 LYS 7 3HG LYS 7 11.270 -0.571 -2.274 71 HD2 LYS 7 2HD LYS 7 14.198 -0.934 -2.901 72 HD3 LYS 7 3HD LYS 7 13.344 -1.792 -1.616 73 HE2 LYS 7 2HE LYS 7 11.914 -1.971 -4.117 74 HE3 LYS 7 3HE LYS 7 13.571 -2.546 -4.294 75 HZ1 LYS 7 3HZ LYS 7 13.253 -4.163 -2.652 76 HZ2 LYS 7 1HZ LYS 7 11.845 -4.231 -3.588 77 HZ3 LYS 7 2HZ LYS 7 11.825 -3.455 -2.085 78 H ARG 8 H ARG 8 9.462 1.860 -5.778 79 HA ARG 8 HA ARG 8 11.247 3.342 -7.481 80 HB2 ARG 8 2HB ARG 8 8.426 2.340 -7.753 81 HB3 ARG 8 3HB ARG 8 9.113 3.439 -8.941 82 HG2 ARG 8 2HG ARG 8 9.519 1.381 -9.885 83 HG3 ARG 8 3HG ARG 8 11.041 1.712 -9.056 84 HD2 ARG 8 2HD ARG 8 10.788 -0.287 -8.097 85 HD3 ARG 8 3HD ARG 8 9.527 0.467 -7.122 86 HE ARG 8 HE ARG 8 8.207 -0.287 -9.357 87 HH11 ARG 8 1HH1 ARG 8 10.307 -1.960 -7.141 88 HH12 ARG 8 2HH1 ARG 8 9.541 -3.497 -7.371 89 HH21 ARG 8 1HH2 ARG 8 7.190 -2.305 -9.669 90 HH22 ARG 8 2HH2 ARG 8 7.769 -3.692 -8.810 91 H PHE 9 H PHE 9 8.339 4.021 -5.598 92 HA PHE 9 HA PHE 9 8.729 6.888 -6.157 93 HB2 PHE 9 2HB PHE 9 6.232 5.278 -5.704 94 HB3 PHE 9 3HB PHE 9 6.250 7.013 -5.407 95 HD1 PHE 9 HD2 PHE 9 7.549 4.745 -8.076 96 HD2 PHE 9 HD1 PHE 9 5.313 8.232 -7.097 97 HE1 PHE 9 HE2 PHE 9 7.144 5.153 -10.469 98 HE2 PHE 9 HE1 PHE 9 4.903 8.645 -9.487 99 HZ PHE 9 HZ PHE 9 5.820 7.105 -11.177 100 H ILE 10 H ILE 10 10.353 6.137 -4.283 101 HA ILE 10 HA ILE 10 9.598 5.708 -1.692 102 HB ILE 10 HB ILE 10 11.814 7.495 -2.692 103 HG12 ILE 10 2HG1 ILE 10 12.185 4.787 -1.475 104 HG13 ILE 10 3HG1 ILE 10 11.645 4.904 -3.146 105 HG21 ILE 10 1HG2 ILE 10 11.003 6.715 0.060 106 HG22 ILE 10 2HG2 ILE 10 12.723 6.814 -0.312 107 HG23 ILE 10 3HG2 ILE 10 11.692 8.227 -0.530 108 HD11 ILE 10 3HD1 ILE 10 13.817 6.662 -2.892 109 HD12 ILE 10 1HD1 ILE 10 14.275 5.169 -2.072 110 HD13 ILE 10 2HD1 ILE 10 13.755 5.126 -3.757 111 H PHE 11 H PHE 11 9.864 8.871 -3.299 112 HA PHE 11 HA PHE 11 9.239 10.545 -1.220 113 HB2 PHE 11 2HB PHE 11 8.068 11.952 -3.064 114 HB3 PHE 11 3HB PHE 11 9.792 11.626 -3.210 115 HD1 PHE 11 HD2 PHE 11 10.616 10.011 -4.853 116 HD2 PHE 11 HD1 PHE 11 6.490 11.027 -4.600 117 HE1 PHE 11 HE2 PHE 11 10.243 9.035 -7.080 118 HE2 PHE 11 HE1 PHE 11 6.110 10.051 -6.827 119 HZ PHE 11 HZ PHE 11 7.988 9.054 -8.070 120 H ILE 12 H ILE 12 6.953 8.868 -3.361 121 HA ILE 12 HA ILE 12 4.948 8.990 -1.242 122 HB ILE 12 HB ILE 12 4.585 10.135 -3.996 123 HG12 ILE 12 2HG1 ILE 12 3.245 11.738 -2.276 124 HG13 ILE 12 3HG1 ILE 12 4.476 11.093 -1.196 125 HG21 ILE 12 1HG2 ILE 12 2.098 10.256 -3.187 126 HG22 ILE 12 2HG2 ILE 12 2.708 8.812 -3.992 127 HG23 ILE 12 3HG2 ILE 12 2.556 8.844 -2.235 128 HD11 ILE 12 3HD1 ILE 12 4.909 12.615 -3.751 129 HD12 ILE 12 1HD1 ILE 12 5.268 13.144 -2.108 130 HD13 ILE 12 2HD1 ILE 12 6.195 11.831 -2.834 Start of MODEL 2 1 H1 TYR 1 H TYR 1 0.700 -1.368 -0.156 2 HA TYR 1 HA TYR 1 2.325 0.439 -1.659 3 HB2 TYR 1 2HB TYR 1 4.275 -0.587 -1.065 4 HB3 TYR 1 3HB TYR 1 3.482 -2.109 -0.675 5 HD1 TYR 1 HD1 TYR 1 3.838 -0.043 -3.777 6 HD2 TYR 1 HD2 TYR 1 4.276 -3.856 -1.942 7 HE1 TYR 1 HE1 TYR 1 4.598 -0.980 -5.920 8 HE2 TYR 1 HE2 TYR 1 5.038 -4.804 -4.079 9 HH TYR 1 HH TYR 1 5.969 -4.134 -6.163 10 H VAL 2 H VAL 2 1.934 0.287 -3.829 11 HA VAL 2 HA VAL 2 -0.121 -1.644 -4.619 12 HB VAL 2 HB VAL 2 -0.795 0.556 -5.138 13 HG11 VAL 2 1HG1 VAL 2 2.030 0.971 -5.595 14 HG12 VAL 2 2HG1 VAL 2 1.054 1.657 -6.896 15 HG13 VAL 2 3HG1 VAL 2 0.764 2.143 -5.225 16 HG21 VAL 2 3HG2 VAL 2 -0.466 -1.347 -7.112 17 HG22 VAL 2 1HG2 VAL 2 -1.481 0.092 -7.210 18 HG23 VAL 2 2HG2 VAL 2 0.163 0.127 -7.848 19 H LEU 3 H LEU 3 1.874 -0.124 -7.004 20 HA LEU 3 HA LEU 3 3.297 -2.649 -7.491 21 HB2 LEU 3 2HB LEU 3 2.863 -2.554 -9.825 22 HB3 LEU 3 3HB LEU 3 1.319 -2.415 -8.986 23 HG LEU 3 HG LEU 3 2.268 0.212 -9.467 24 HD11 LEU 3 1HD1 LEU 3 2.357 0.180 -11.935 25 HD12 LEU 3 2HD1 LEU 3 2.390 -1.582 -11.886 26 HD13 LEU 3 3HD1 LEU 3 3.717 -0.656 -11.186 27 HD21 LEU 3 3HD2 LEU 3 0.164 -0.883 -11.205 28 HD22 LEU 3 1HD2 LEU 3 0.138 0.511 -10.125 29 HD23 LEU 3 2HD2 LEU 3 -0.092 -1.112 -9.474 30 H PHE 4 H PHE 4 3.192 0.824 -7.691 31 HA PHE 4 HA PHE 4 6.056 0.831 -8.385 32 HB2 PHE 4 2HB PHE 4 5.532 3.218 -9.227 33 HB3 PHE 4 3HB PHE 4 5.039 1.856 -10.229 34 HD1 PHE 4 HD2 PHE 4 3.651 3.885 -7.417 35 HD2 PHE 4 HD1 PHE 4 2.955 1.981 -11.160 36 HE1 PHE 4 HE2 PHE 4 1.338 4.723 -7.409 37 HE2 PHE 4 HE1 PHE 4 0.640 2.816 -11.158 38 HZ PHE 4 HZ PHE 4 -0.171 4.188 -9.281 39 H LYS 5 H LYS 5 4.307 0.939 -5.808 40 HA LYS 5 HA LYS 5 5.386 3.412 -4.660 41 HB2 LYS 5 2HB LYS 5 2.992 1.854 -4.238 42 HB3 LYS 5 3HB LYS 5 3.861 2.063 -2.723 43 HG2 LYS 5 2HG LYS 5 2.361 3.861 -2.849 44 HG3 LYS 5 3HG LYS 5 3.939 4.534 -3.266 45 HD2 LYS 5 2HD LYS 5 3.311 5.018 -5.373 46 HD3 LYS 5 3HD LYS 5 2.395 3.519 -5.548 47 HE2 LYS 5 2HE LYS 5 1.007 5.590 -5.640 48 HE3 LYS 5 3HE LYS 5 0.523 4.447 -4.388 49 HZ1 LYS 5 3HZ LYS 5 2.438 6.323 -3.420 50 HZ2 LYS 5 1HZ LYS 5 0.901 5.951 -2.819 51 HZ3 LYS 5 2HZ LYS 5 1.074 7.107 -4.041 52 H ARG 6 H ARG 6 6.324 0.295 -5.047 53 HA ARG 6 HA ARG 6 7.212 -0.495 -2.503 54 HB2 ARG 6 2HB ARG 6 7.139 -2.115 -4.259 55 HB3 ARG 6 3HB ARG 6 8.211 -1.156 -5.272 56 HG2 ARG 6 2HG ARG 6 9.260 -3.156 -4.202 57 HG3 ARG 6 3HG ARG 6 10.079 -1.626 -3.888 58 HD2 ARG 6 2HD ARG 6 9.529 -1.627 -1.682 59 HD3 ARG 6 3HD ARG 6 8.002 -2.464 -1.953 60 HE ARG 6 HE ARG 6 9.903 -4.339 -2.497 61 HH11 ARG 6 1HH1 ARG 6 9.191 -2.286 0.223 62 HH12 ARG 6 2HH1 ARG 6 9.809 -3.403 1.394 63 HH21 ARG 6 1HH2 ARG 6 10.720 -5.818 -0.965 64 HH22 ARG 6 2HH2 ARG 6 10.680 -5.411 0.717 65 H LYS 7 H LYS 7 9.545 0.253 -5.046 66 HA LYS 7 HA LYS 7 10.979 1.980 -3.137 67 HB2 LYS 7 2HB LYS 7 12.083 -0.093 -5.031 68 HB3 LYS 7 3HB LYS 7 13.085 1.146 -4.287 69 HG2 LYS 7 2HG LYS 7 12.729 0.280 -2.126 70 HG3 LYS 7 3HG LYS 7 11.401 -0.746 -2.674 71 HD2 LYS 7 2HD LYS 7 14.250 -1.051 -3.610 72 HD3 LYS 7 3HD LYS 7 13.563 -1.948 -2.254 73 HE2 LYS 7 2HE LYS 7 11.920 -2.051 -4.663 74 HE3 LYS 7 3HE LYS 7 13.531 -2.730 -4.891 75 HZ1 LYS 7 3HZ LYS 7 12.474 -3.626 -2.440 76 HZ2 LYS 7 1HZ LYS 7 12.914 -4.535 -3.798 77 HZ3 LYS 7 2HZ LYS 7 11.344 -3.922 -3.663 78 H ARG 8 H ARG 8 9.275 2.004 -5.895 79 HA ARG 8 HA ARG 8 11.002 3.702 -7.481 80 HB2 ARG 8 2HB ARG 8 8.191 2.680 -7.832 81 HB3 ARG 8 3HB ARG 8 8.886 3.876 -8.917 82 HG2 ARG 8 2HG ARG 8 9.291 1.909 -10.037 83 HG3 ARG 8 3HG ARG 8 10.809 2.157 -9.173 84 HD2 ARG 8 2HD ARG 8 10.545 0.092 -8.376 85 HD3 ARG 8 3HD ARG 8 9.255 0.753 -7.373 86 HE ARG 8 HE ARG 8 7.970 0.194 -9.666 87 HH11 ARG 8 1HH1 ARG 8 10.126 -1.674 -7.670 88 HH12 ARG 8 2HH1 ARG 8 9.401 -3.192 -8.080 89 HH21 ARG 8 1HH2 ARG 8 7.006 -1.800 -10.214 90 HH22 ARG 8 2HH2 ARG 8 7.627 -3.263 -9.528 91 H PHE 9 H PHE 9 8.158 4.023 -5.428 92 HA PHE 9 HA PHE 9 8.393 6.950 -5.668 93 HB2 PHE 9 2HB PHE 9 5.986 5.183 -5.319 94 HB3 PHE 9 3HB PHE 9 5.943 6.872 -4.825 95 HD1 PHE 9 HD2 PHE 9 7.251 5.002 -7.783 96 HD2 PHE 9 HD1 PHE 9 4.867 8.215 -6.329 97 HE1 PHE 9 HE2 PHE 9 6.733 5.660 -10.096 98 HE2 PHE 9 HE1 PHE 9 4.345 8.877 -8.640 99 HZ PHE 9 HZ PHE 9 5.279 7.601 -10.527 100 H ILE 10 H ILE 10 10.124 6.143 -3.958 101 HA ILE 10 HA ILE 10 9.168 5.571 -1.337 102 HB ILE 10 HB ILE 10 11.855 6.739 -2.052 103 HG12 ILE 10 2HG1 ILE 10 11.071 3.820 -1.918 104 HG13 ILE 10 3HG1 ILE 10 11.322 4.719 -3.411 105 HG21 ILE 10 1HG2 ILE 10 11.628 6.810 0.266 106 HG22 ILE 10 2HG2 ILE 10 10.752 5.282 0.322 107 HG23 ILE 10 3HG2 ILE 10 12.481 5.294 -0.021 108 HD11 ILE 10 3HD1 ILE 10 13.656 5.212 -2.206 109 HD12 ILE 10 1HD1 ILE 10 13.278 3.646 -1.489 110 HD13 ILE 10 2HD1 ILE 10 13.374 3.813 -3.242 111 H PHE 11 H PHE 11 8.970 8.330 -3.138 112 HA PHE 11 HA PHE 11 9.354 10.172 -0.906 113 HB2 PHE 11 2HB PHE 11 8.588 11.825 -2.828 114 HB3 PHE 11 3HB PHE 11 10.234 11.203 -2.764 115 HD1 PHE 11 HD2 PHE 11 10.796 9.172 -4.181 116 HD2 PHE 11 HD1 PHE 11 7.245 11.462 -4.695 117 HE1 PHE 11 HE2 PHE 11 10.539 8.258 -6.451 118 HE2 PHE 11 HE1 PHE 11 6.982 10.551 -6.965 119 HZ PHE 11 HZ PHE 11 8.631 8.948 -7.846 120 H ILE 12 H ILE 12 6.808 9.156 -3.163 121 HA ILE 12 HA ILE 12 4.796 10.627 -1.680 122 HB ILE 12 HB ILE 12 4.737 8.971 -4.182 123 HG12 ILE 12 2HG1 ILE 12 3.401 11.545 -4.202 124 HG13 ILE 12 3HG1 ILE 12 5.057 11.695 -3.624 125 HG21 ILE 12 1HG2 ILE 12 2.391 9.879 -2.536 126 HG22 ILE 12 2HG2 ILE 12 2.266 9.514 -4.256 127 HG23 ILE 12 3HG2 ILE 12 2.754 8.256 -3.121 128 HD11 ILE 12 3HD1 ILE 12 5.608 11.817 -5.772 129 HD12 ILE 12 1HD1 ILE 12 5.331 10.076 -5.814 130 HD13 ILE 12 2HD1 ILE 12 4.049 11.185 -6.300 Start of MODEL 3 1 H1 TYR 1 H TYR 1 0.561 -1.199 0.045 2 HA TYR 1 HA TYR 1 1.929 0.727 -1.711 3 HB2 TYR 1 2HB TYR 1 3.815 -0.249 -0.876 4 HB3 TYR 1 3HB TYR 1 2.981 -1.734 -0.431 5 HD1 TYR 1 HD2 TYR 1 3.685 0.090 -3.626 6 HD2 TYR 1 HD1 TYR 1 3.796 -3.596 -1.503 7 HE1 TYR 1 HE2 TYR 1 4.614 -1.021 -5.614 8 HE2 TYR 1 HE1 TYR 1 4.727 -4.717 -3.486 9 HH TYR 1 HH TYR 1 6.133 -3.229 -5.947 10 H VAL 2 H VAL 2 1.782 0.362 -3.899 11 HA VAL 2 HA VAL 2 -0.233 -1.611 -4.703 12 HB VAL 2 HB VAL 2 -0.848 0.533 -5.462 13 HG11 VAL 2 1HG1 VAL 2 1.184 1.482 -7.119 14 HG12 VAL 2 2HG1 VAL 2 0.704 2.125 -5.548 15 HG13 VAL 2 3HG1 VAL 2 2.002 0.935 -5.656 16 HG21 VAL 2 3HG2 VAL 2 0.378 -0.126 -8.021 17 HG22 VAL 2 1HG2 VAL 2 -0.367 -1.516 -7.232 18 HG23 VAL 2 2HG2 VAL 2 -1.323 -0.072 -7.562 19 H LEU 3 H LEU 3 2.006 -0.280 -6.993 20 HA LEU 3 HA LEU 3 3.415 -2.855 -7.167 21 HB2 LEU 3 2HB LEU 3 3.218 -2.912 -9.529 22 HB3 LEU 3 3HB LEU 3 1.601 -2.669 -8.872 23 HG LEU 3 HG LEU 3 2.685 -0.111 -9.422 24 HD11 LEU 3 1HD1 LEU 3 2.957 -0.387 -11.908 25 HD12 LEU 3 2HD1 LEU 3 3.099 -2.121 -11.621 26 HD13 LEU 3 3HD1 LEU 3 4.279 -1.013 -10.923 27 HD21 LEU 3 3HD2 LEU 3 0.297 -1.370 -9.604 28 HD22 LEU 3 1HD2 LEU 3 0.748 -1.270 -11.306 29 HD23 LEU 3 2HD2 LEU 3 0.651 0.198 -10.332 30 H PHE 4 H PHE 4 3.419 0.599 -7.564 31 HA PHE 4 HA PHE 4 6.334 0.511 -7.993 32 HB2 PHE 4 2HB PHE 4 5.917 2.894 -8.950 33 HB3 PHE 4 3HB PHE 4 5.548 1.495 -9.954 34 HD1 PHE 4 HD2 PHE 4 3.840 3.601 -7.385 35 HD2 PHE 4 HD1 PHE 4 3.581 1.571 -11.118 36 HE1 PHE 4 HE2 PHE 4 1.536 4.416 -7.664 37 HE2 PHE 4 HE1 PHE 4 1.276 2.384 -11.403 38 HZ PHE 4 HZ PHE 4 0.250 3.808 -9.675 39 H LYS 5 H LYS 5 3.952 1.197 -5.811 40 HA LYS 5 HA LYS 5 5.097 3.555 -4.617 41 HB2 LYS 5 2HB LYS 5 2.619 2.451 -4.536 42 HB3 LYS 5 3HB LYS 5 3.273 1.878 -3.007 43 HG2 LYS 5 2HG LYS 5 3.984 4.462 -2.863 44 HG3 LYS 5 3HG LYS 5 2.530 4.601 -3.854 45 HD2 LYS 5 2HD LYS 5 1.194 3.557 -2.188 46 HD3 LYS 5 3HD LYS 5 2.616 3.061 -1.266 47 HE2 LYS 5 2HE LYS 5 2.637 4.989 -0.158 48 HE3 LYS 5 3HE LYS 5 2.630 5.907 -1.662 49 HZ1 LYS 5 3HZ LYS 5 0.236 4.827 -0.275 50 HZ2 LYS 5 1HZ LYS 5 0.218 5.682 -1.735 51 HZ3 LYS 5 2HZ LYS 5 0.714 6.449 -0.312 52 H ARG 6 H ARG 6 6.166 0.486 -4.760 53 HA ARG 6 HA ARG 6 6.828 -0.102 -2.069 54 HB2 ARG 6 2HB ARG 6 6.828 -1.891 -3.651 55 HB3 ARG 6 3HB ARG 6 7.965 -1.050 -4.696 56 HG2 ARG 6 2HG ARG 6 9.711 -1.894 -3.618 57 HG3 ARG 6 3HG ARG 6 9.051 -1.440 -2.046 58 HD2 ARG 6 2HD ARG 6 9.382 -3.869 -2.260 59 HD3 ARG 6 3HD ARG 6 7.692 -3.440 -2.001 60 HE ARG 6 HE ARG 6 8.063 -3.605 -4.741 61 HH11 ARG 6 1HH1 ARG 6 8.276 -5.716 -1.981 62 HH12 ARG 6 2HH1 ARG 6 7.857 -7.140 -2.874 63 HH21 ARG 6 1HH2 ARG 6 7.510 -5.473 -5.927 64 HH22 ARG 6 2HH2 ARG 6 7.422 -7.001 -5.119 65 H LYS 7 H LYS 7 9.334 0.324 -4.512 66 HA LYS 7 HA LYS 7 10.676 2.238 -2.718 67 HB2 LYS 7 2HB LYS 7 11.922 0.030 -4.363 68 HB3 LYS 7 3HB LYS 7 12.832 1.266 -3.505 69 HG2 LYS 7 2HG LYS 7 12.147 0.446 -1.400 70 HG3 LYS 7 3HG LYS 7 10.913 -0.587 -2.124 71 HD2 LYS 7 2HD LYS 7 13.876 -0.903 -2.590 72 HD3 LYS 7 3HD LYS 7 12.962 -1.803 -1.377 73 HE2 LYS 7 2HE LYS 7 11.691 -1.923 -3.973 74 HE3 LYS 7 3HE LYS 7 13.355 -2.501 -4.044 75 HZ1 LYS 7 3HZ LYS 7 11.455 -4.128 -3.442 76 HZ2 LYS 7 1HZ LYS 7 11.580 -3.447 -1.898 77 HZ3 LYS 7 2HZ LYS 7 12.917 -4.212 -2.596 78 H ARG 8 H ARG 8 9.310 1.766 -5.708 79 HA ARG 8 HA ARG 8 11.122 3.335 -7.290 80 HB2 ARG 8 2HB ARG 8 8.396 2.165 -7.722 81 HB3 ARG 8 3HB ARG 8 9.026 3.359 -8.849 82 HG2 ARG 8 2HG ARG 8 9.494 1.190 -9.717 83 HG3 ARG 8 3HG ARG 8 11.016 1.906 -9.181 84 HD2 ARG 8 2HD ARG 8 11.344 0.313 -7.646 85 HD3 ARG 8 3HD ARG 8 9.672 0.388 -7.091 86 HE ARG 8 HE ARG 8 9.215 -1.436 -8.382 87 HH11 ARG 8 1HH1 ARG 8 12.163 0.028 -9.519 88 HH12 ARG 8 2HH1 ARG 8 12.502 -1.232 -10.658 89 HH21 ARG 8 1HH2 ARG 8 9.652 -3.101 -9.879 90 HH22 ARG 8 2HH2 ARG 8 11.073 -3.011 -10.863 91 H PHE 9 H PHE 9 8.285 3.932 -5.349 92 HA PHE 9 HA PHE 9 8.468 6.791 -6.040 93 HB2 PHE 9 2HB PHE 9 6.063 5.081 -5.443 94 HB3 PHE 9 3HB PHE 9 6.011 6.832 -5.262 95 HD1 PHE 9 HD1 PHE 9 7.306 4.421 -7.805 96 HD2 PHE 9 HD2 PHE 9 5.021 7.922 -7.008 97 HE1 PHE 9 HE1 PHE 9 6.826 4.650 -10.207 98 HE2 PHE 9 HE2 PHE 9 4.537 8.156 -9.409 99 HZ PHE 9 HZ PHE 9 5.439 6.518 -11.012 100 H ILE 10 H ILE 10 10.174 6.377 -4.229 101 HA ILE 10 HA ILE 10 9.266 6.065 -1.560 102 HB ILE 10 HB ILE 10 11.802 7.443 -2.438 103 HG12 ILE 10 2HG1 ILE 10 11.361 4.496 -1.915 104 HG13 ILE 10 3HG1 ILE 10 11.528 5.214 -3.513 105 HG21 ILE 10 1HG2 ILE 10 12.590 6.391 -0.243 106 HG22 ILE 10 2HG2 ILE 10 11.525 7.792 -0.144 107 HG23 ILE 10 3HG2 ILE 10 10.878 6.173 0.117 108 HD11 ILE 10 3HD1 ILE 10 13.755 6.099 -2.118 109 HD12 ILE 10 1HD1 ILE 10 13.555 4.416 -1.630 110 HD13 ILE 10 2HD1 ILE 10 13.699 4.827 -3.339 111 H PHE 11 H PHE 11 8.821 8.562 -3.699 112 HA PHE 11 HA PHE 11 8.997 10.715 -1.759 113 HB2 PHE 11 2HB PHE 11 7.835 11.895 -3.873 114 HB3 PHE 11 3HB PHE 11 9.573 11.640 -3.761 115 HD1 PHE 11 HD2 PHE 11 10.582 9.644 -4.903 116 HD2 PHE 11 HD1 PHE 11 6.564 10.886 -5.563 117 HE1 PHE 11 HE2 PHE 11 10.525 8.340 -6.988 118 HE2 PHE 11 HE1 PHE 11 6.501 9.583 -7.649 119 HZ PHE 11 HZ PHE 11 8.483 8.308 -8.365 120 H ILE 12 H ILE 12 6.415 9.498 -3.903 121 HA ILE 12 HA ILE 12 4.507 9.615 -1.726 122 HB ILE 12 HB ILE 12 2.909 11.033 -2.974 123 HG12 ILE 12 2HG1 ILE 12 4.682 10.647 -5.095 124 HG13 ILE 12 3HG1 ILE 12 3.280 11.711 -5.079 125 HG21 ILE 12 1HG2 ILE 12 4.239 12.005 -1.198 126 HG22 ILE 12 2HG2 ILE 12 5.552 12.330 -2.328 127 HG23 ILE 12 3HG2 ILE 12 4.016 13.178 -2.495 128 HD11 ILE 12 3HD1 ILE 12 5.346 12.814 -5.840 129 HD12 ILE 12 1HD1 ILE 12 4.639 13.573 -4.413 130 HD13 ILE 12 2HD1 ILE 12 6.052 12.529 -4.249 Start of MODEL 4 1 H1 TYR 1 H TYR 1 -0.335 -5.681 -3.240 2 HA TYR 1 HA TYR 1 -1.012 -2.839 -2.889 3 HB2 TYR 1 2HB TYR 1 1.191 -2.377 -2.498 4 HB3 TYR 1 3HB TYR 1 1.182 -4.053 -1.961 5 HD1 TYR 1 HD1 TYR 1 2.062 -1.820 -4.774 6 HD2 TYR 1 HD2 TYR 1 2.447 -5.711 -3.096 7 HE1 TYR 1 HE1 TYR 1 3.817 -2.348 -6.414 8 HE2 TYR 1 HE2 TYR 1 4.204 -6.249 -4.731 9 HH TYR 1 HH TYR 1 4.815 -4.352 -7.462 10 H VAL 2 H VAL 2 -0.199 -1.363 -4.589 11 HA VAL 2 HA VAL 2 -1.119 -2.179 -7.144 12 HB VAL 2 HB VAL 2 -1.296 0.145 -6.398 13 HG11 VAL 2 1HG1 VAL 2 1.218 1.231 -6.894 14 HG12 VAL 2 2HG1 VAL 2 0.431 1.050 -5.325 15 HG13 VAL 2 3HG1 VAL 2 1.531 -0.199 -5.911 16 HG21 VAL 2 3HG2 VAL 2 0.297 0.898 -8.582 17 HG22 VAL 2 1HG2 VAL 2 -0.278 -0.732 -8.933 18 HG23 VAL 2 2HG2 VAL 2 -1.432 0.554 -8.579 19 H LEU 3 H LEU 3 1.475 -0.335 -7.896 20 HA LEU 3 HA LEU 3 3.207 -2.654 -8.440 21 HB2 LEU 3 2HB LEU 3 3.790 -1.629 -10.597 22 HB3 LEU 3 3HB LEU 3 2.087 -2.070 -10.487 23 HG LEU 3 HG LEU 3 2.519 0.686 -9.713 24 HD11 LEU 3 1HD1 LEU 3 3.758 -0.291 -12.231 25 HD12 LEU 3 2HD1 LEU 3 4.251 1.020 -11.160 26 HD13 LEU 3 3HD1 LEU 3 2.894 1.247 -12.263 27 HD21 LEU 3 3HD2 LEU 3 0.510 -0.850 -10.752 28 HD22 LEU 3 1HD2 LEU 3 1.022 0.092 -12.152 29 HD23 LEU 3 2HD2 LEU 3 0.512 0.913 -10.677 30 H PHE 4 H PHE 4 2.917 0.716 -7.626 31 HA PHE 4 HA PHE 4 5.820 0.807 -7.129 32 HB2 PHE 4 2HB PHE 4 5.515 3.339 -7.365 33 HB3 PHE 4 3HB PHE 4 5.443 2.384 -8.842 34 HD1 PHE 4 HD2 PHE 4 3.198 3.766 -6.207 35 HD2 PHE 4 HD1 PHE 4 3.710 2.746 -10.307 36 HE1 PHE 4 HE2 PHE 4 0.995 4.734 -6.718 37 HE2 PHE 4 HE1 PHE 4 1.508 3.714 -10.826 38 HZ PHE 4 HZ PHE 4 0.147 4.709 -9.030 39 H LYS 5 H LYS 5 3.687 -0.110 -5.352 40 HA LYS 5 HA LYS 5 3.299 1.964 -3.388 41 HB2 LYS 5 2HB LYS 5 1.721 -0.008 -3.932 42 HB3 LYS 5 3HB LYS 5 2.806 -0.968 -2.934 43 HG2 LYS 5 2HG LYS 5 1.751 -0.281 -1.118 44 HG3 LYS 5 3HG LYS 5 2.165 1.392 -1.499 45 HD2 LYS 5 2HD LYS 5 0.153 1.245 -3.136 46 HD3 LYS 5 3HD LYS 5 -0.322 -0.141 -2.151 47 HE2 LYS 5 2HE LYS 5 -1.290 1.308 -0.765 48 HE3 LYS 5 3HE LYS 5 0.331 1.828 -0.306 49 HZ1 LYS 5 3HZ LYS 5 -1.655 3.284 -1.657 50 HZ2 LYS 5 1HZ LYS 5 -0.324 3.117 -2.688 51 HZ3 LYS 5 2HZ LYS 5 -0.126 3.805 -1.155 52 H ARG 6 H ARG 6 5.910 0.171 -4.204 53 HA ARG 6 HA ARG 6 6.840 -0.376 -1.501 54 HB2 ARG 6 2HB ARG 6 7.306 -2.029 -3.236 55 HB3 ARG 6 3HB ARG 6 8.158 -0.818 -4.185 56 HG2 ARG 6 2HG ARG 6 10.048 -1.144 -3.068 57 HG3 ARG 6 3HG ARG 6 9.231 -1.025 -1.508 58 HD2 ARG 6 2HD ARG 6 10.328 -3.215 -1.880 59 HD3 ARG 6 3HD ARG 6 8.590 -3.340 -1.608 60 HE ARG 6 HE ARG 6 9.171 -3.195 -4.379 61 HH11 ARG 6 1HH1 ARG 6 9.268 -5.354 -1.649 62 HH12 ARG 6 2HH1 ARG 6 9.105 -6.786 -2.610 63 HH21 ARG 6 1HH2 ARG 6 8.956 -5.074 -5.655 64 HH22 ARG 6 2HH2 ARG 6 8.929 -6.626 -4.889 65 H LYS 7 H LYS 7 9.148 0.623 -3.862 66 HA LYS 7 HA LYS 7 9.524 3.177 -2.442 67 HB2 LYS 7 2HB LYS 7 11.741 1.422 -3.509 68 HB3 LYS 7 3HB LYS 7 11.922 2.908 -2.585 69 HG2 LYS 7 2HG LYS 7 11.184 1.898 -0.604 70 HG3 LYS 7 3HG LYS 7 10.511 0.511 -1.463 71 HD2 LYS 7 2HD LYS 7 13.450 1.178 -1.360 72 HD3 LYS 7 3HD LYS 7 12.653 0.040 -0.271 73 HE2 LYS 7 2HE LYS 7 12.034 -0.500 -3.051 74 HE3 LYS 7 3HE LYS 7 13.770 -0.530 -2.748 75 HZ1 LYS 7 3HZ LYS 7 13.515 -2.203 -1.136 76 HZ2 LYS 7 1HZ LYS 7 12.549 -2.691 -2.436 77 HZ3 LYS 7 2HZ LYS 7 11.836 -2.009 -1.063 78 H ARG 8 H ARG 8 8.537 1.950 -5.227 79 HA ARG 8 HA ARG 8 10.099 3.147 -7.224 80 HB2 ARG 8 2HB ARG 8 7.329 2.090 -7.041 81 HB3 ARG 8 3HB ARG 8 7.687 3.159 -8.390 82 HG2 ARG 8 2HG ARG 8 7.967 0.812 -8.991 83 HG3 ARG 8 3HG ARG 8 9.491 1.697 -9.099 84 HD2 ARG 8 2HD ARG 8 10.175 0.812 -6.937 85 HD3 ARG 8 3HD ARG 8 8.634 -0.032 -6.780 86 HE ARG 8 HE ARG 8 9.473 -1.689 -8.101 87 HH11 ARG 8 1HH1 ARG 8 11.355 1.196 -8.608 88 HH12 ARG 8 2HH1 ARG 8 12.513 0.417 -9.635 89 HH21 ARG 8 1HH2 ARG 8 10.991 -2.726 -9.452 90 HH22 ARG 8 2HH2 ARG 8 12.304 -1.813 -10.115 91 H PHE 9 H PHE 9 8.018 4.527 -4.908 92 HA PHE 9 HA PHE 9 7.908 7.049 -6.426 93 HB2 PHE 9 2HB PHE 9 5.953 7.655 -5.176 94 HB3 PHE 9 3HB PHE 9 5.709 6.019 -5.780 95 HD1 PHE 9 HD2 PHE 9 6.353 4.100 -4.145 96 HD2 PHE 9 HD1 PHE 9 5.580 8.112 -2.950 97 HE1 PHE 9 HE2 PHE 9 5.887 3.325 -1.857 98 HE2 PHE 9 HE1 PHE 9 5.113 7.343 -0.659 99 HZ PHE 9 HZ PHE 9 5.265 4.947 -0.111 100 H ILE 10 H ILE 10 10.212 6.177 -4.961 101 HA ILE 10 HA ILE 10 10.484 7.143 -2.392 102 HB ILE 10 HB ILE 10 12.402 6.853 -4.663 103 HG12 ILE 10 2HG1 ILE 10 12.831 5.772 -1.921 104 HG13 ILE 10 3HG1 ILE 10 11.511 5.090 -2.865 105 HG21 ILE 10 1HG2 ILE 10 14.217 7.541 -3.013 106 HG22 ILE 10 2HG2 ILE 10 13.270 8.833 -3.750 107 HG23 ILE 10 3HG2 ILE 10 12.928 8.322 -2.097 108 HD11 ILE 10 3HD1 ILE 10 13.624 3.832 -3.054 109 HD12 ILE 10 1HD1 ILE 10 13.026 4.430 -4.601 110 HD13 ILE 10 2HD1 ILE 10 14.365 5.249 -3.797 111 H PHE 11 H PHE 11 10.962 8.915 -5.439 112 HA PHE 11 HA PHE 11 11.787 11.349 -4.475 113 HB2 PHE 11 2HB PHE 11 10.455 12.299 -6.481 114 HB3 PHE 11 3HB PHE 11 11.753 11.154 -6.805 115 HD1 PHE 11 HD2 PHE 11 11.239 8.847 -7.457 116 HD2 PHE 11 HD1 PHE 11 8.177 11.755 -6.926 117 HE1 PHE 11 HE2 PHE 11 9.665 7.409 -8.684 118 HE2 PHE 11 HE1 PHE 11 6.597 10.321 -8.151 119 HZ PHE 11 HZ PHE 11 7.341 8.145 -9.033 120 H ILE 12 H ILE 12 8.432 10.244 -4.884 121 HA ILE 12 HA ILE 12 7.617 12.065 -2.754 122 HB ILE 12 HB ILE 12 6.537 12.143 -5.556 123 HG12 ILE 12 2HG1 ILE 12 6.575 14.688 -4.641 124 HG13 ILE 12 3HG1 ILE 12 7.871 13.997 -3.671 125 HG21 ILE 12 1HG2 ILE 12 5.112 12.737 -2.997 126 HG22 ILE 12 2HG2 ILE 12 4.745 13.666 -4.450 127 HG23 ILE 12 3HG2 ILE 12 4.524 11.917 -4.444 128 HD11 ILE 12 3HD1 ILE 12 8.904 13.179 -5.790 129 HD12 ILE 12 1HD1 ILE 12 7.685 14.104 -6.667 130 HD13 ILE 12 2HD1 ILE 12 8.839 14.934 -5.622 Start of MODEL 5 1 H1 TYR 1 H TYR 1 -0.349 -5.829 -4.145 2 HA TYR 1 HA TYR 1 -1.054 -3.030 -3.667 3 HB2 TYR 1 2HB TYR 1 1.118 -2.668 -3.066 4 HB3 TYR 1 3HB TYR 1 1.050 -4.396 -2.740 5 HD1 TYR 1 HD2 TYR 1 2.147 -1.863 -5.203 6 HD2 TYR 1 HD1 TYR 1 2.388 -5.925 -3.962 7 HE1 TYR 1 HE2 TYR 1 4.009 -2.224 -6.769 8 HE2 TYR 1 HE1 TYR 1 4.251 -6.298 -5.524 9 HH TYR 1 HH TYR 1 5.848 -5.191 -6.782 10 H VAL 2 H VAL 2 -0.119 -1.382 -5.121 11 HA VAL 2 HA VAL 2 -0.860 -1.869 -7.809 12 HB VAL 2 HB VAL 2 -1.037 0.356 -6.795 13 HG11 VAL 2 1HG1 VAL 2 1.740 -0.123 -6.184 14 HG12 VAL 2 2HG1 VAL 2 1.531 1.414 -7.026 15 HG13 VAL 2 3HG1 VAL 2 0.641 1.094 -5.537 16 HG21 VAL 2 3HG2 VAL 2 -1.038 1.021 -8.916 17 HG22 VAL 2 1HG2 VAL 2 0.697 1.312 -8.784 18 HG23 VAL 2 2HG2 VAL 2 0.106 -0.247 -9.358 19 H LEU 3 H LEU 3 1.799 -0.023 -8.197 20 HA LEU 3 HA LEU 3 3.539 -2.304 -8.856 21 HB2 LEU 3 2HB LEU 3 4.268 -1.068 -10.863 22 HB3 LEU 3 3HB LEU 3 2.570 -1.539 -10.909 23 HG LEU 3 HG LEU 3 2.910 1.140 -9.856 24 HD11 LEU 3 1HD1 LEU 3 3.668 2.219 -11.872 25 HD12 LEU 3 2HD1 LEU 3 3.854 0.663 -12.679 26 HD13 LEU 3 3HD1 LEU 3 4.899 1.083 -11.321 27 HD21 LEU 3 3HD2 LEU 3 1.555 0.753 -12.417 28 HD22 LEU 3 1HD2 LEU 3 0.955 1.431 -10.904 29 HD23 LEU 3 2HD2 LEU 3 0.984 -0.317 -11.136 30 H PHE 4 H PHE 4 3.236 1.008 -7.804 31 HA PHE 4 HA PHE 4 6.101 1.009 -7.112 32 HB2 PHE 4 2HB PHE 4 5.882 3.534 -7.162 33 HB3 PHE 4 3HB PHE 4 5.775 2.728 -8.724 34 HD1 PHE 4 HD2 PHE 4 3.669 4.107 -5.990 35 HD2 PHE 4 HD1 PHE 4 3.976 3.139 -10.124 36 HE1 PHE 4 HE2 PHE 4 1.510 5.212 -6.406 37 HE2 PHE 4 HE1 PHE 4 1.818 4.243 -10.546 38 HZ PHE 4 HZ PHE 4 0.581 5.280 -8.686 39 H LYS 5 H LYS 5 3.746 0.023 -5.591 40 HA LYS 5 HA LYS 5 3.159 1.851 -3.502 41 HB2 LYS 5 2HB LYS 5 1.807 -0.188 -4.164 42 HB3 LYS 5 3HB LYS 5 3.017 -1.159 -3.335 43 HG2 LYS 5 2HG LYS 5 1.913 1.051 -1.752 44 HG3 LYS 5 3HG LYS 5 0.758 -0.209 -2.191 45 HD2 LYS 5 2HD LYS 5 1.820 -1.805 -0.949 46 HD3 LYS 5 3HD LYS 5 3.408 -1.062 -1.153 47 HE2 LYS 5 2HE LYS 5 2.683 0.759 0.377 48 HE3 LYS 5 3HE LYS 5 1.181 -0.122 0.651 49 HZ1 LYS 5 3HZ LYS 5 3.136 -1.967 1.115 50 HZ2 LYS 5 1HZ LYS 5 2.261 -1.128 2.295 51 HZ3 LYS 5 2HZ LYS 5 3.768 -0.550 1.789 52 H ARG 6 H ARG 6 5.958 0.176 -4.238 53 HA ARG 6 HA ARG 6 6.832 -0.243 -1.507 54 HB2 ARG 6 2HB ARG 6 8.165 -0.632 -4.185 55 HB3 ARG 6 3HB ARG 6 9.008 -0.873 -2.660 56 HG2 ARG 6 2HG ARG 6 6.455 -2.291 -2.864 57 HG3 ARG 6 3HG ARG 6 7.678 -2.802 -4.029 58 HD2 ARG 6 2HD ARG 6 9.024 -3.676 -2.434 59 HD3 ARG 6 3HD ARG 6 8.600 -2.440 -1.250 60 HE ARG 6 HE ARG 6 7.034 -3.867 -0.414 61 HH11 ARG 6 1HH1 ARG 6 7.793 -4.841 -3.669 62 HH12 ARG 6 2HH1 ARG 6 6.815 -6.270 -3.609 63 HH21 ARG 6 1HH2 ARG 6 5.743 -5.745 -0.322 64 HH22 ARG 6 2HH2 ARG 6 5.648 -6.783 -1.705 65 H LYS 7 H LYS 7 9.235 0.903 -3.651 66 HA LYS 7 HA LYS 7 9.243 3.534 -2.327 67 HB2 LYS 7 2HB LYS 7 11.705 1.913 -2.991 68 HB3 LYS 7 3HB LYS 7 11.651 3.450 -2.139 69 HG2 LYS 7 2HG LYS 7 11.297 2.456 -0.186 70 HG3 LYS 7 3HG LYS 7 10.005 1.451 -0.847 71 HD2 LYS 7 2HD LYS 7 12.958 0.899 -1.144 72 HD3 LYS 7 3HD LYS 7 11.897 0.127 0.037 73 HE2 LYS 7 2HE LYS 7 10.814 -0.031 -2.643 74 HE3 LYS 7 3HE LYS 7 12.426 -0.737 -2.552 75 HZ1 LYS 7 3HZ LYS 7 11.706 -2.171 -0.790 76 HZ2 LYS 7 1HZ LYS 7 10.633 -2.337 -2.088 77 HZ3 LYS 7 2HZ LYS 7 10.186 -1.431 -0.732 78 H ARG 8 H ARG 8 8.730 2.102 -5.141 79 HA ARG 8 HA ARG 8 10.422 3.173 -7.039 80 HB2 ARG 8 2HB ARG 8 7.654 2.189 -6.997 81 HB3 ARG 8 3HB ARG 8 7.991 3.332 -8.289 82 HG2 ARG 8 2HG ARG 8 8.395 1.216 -9.206 83 HG3 ARG 8 3HG ARG 8 9.992 1.881 -8.856 84 HD2 ARG 8 2HD ARG 8 10.265 0.513 -6.965 85 HD3 ARG 8 3HD ARG 8 8.550 0.111 -6.906 86 HE ARG 8 HE ARG 8 8.925 -1.558 -8.426 87 HH11 ARG 8 1HH1 ARG 8 11.656 0.600 -8.404 88 HH12 ARG 8 2HH1 ARG 8 12.627 -0.408 -9.425 89 HH21 ARG 8 1HH2 ARG 8 10.193 -2.894 -9.771 90 HH22 ARG 8 2HH2 ARG 8 11.793 -2.395 -10.203 91 H PHE 9 H PHE 9 7.974 4.751 -5.145 92 HA PHE 9 HA PHE 9 8.068 7.165 -6.771 93 HB2 PHE 9 2HB PHE 9 6.471 7.991 -4.914 94 HB3 PHE 9 3HB PHE 9 5.889 6.750 -6.019 95 HD1 PHE 9 HD1 PHE 9 8.131 6.423 -3.074 96 HD2 PHE 9 HD2 PHE 9 4.338 5.543 -4.793 97 HE1 PHE 9 HE1 PHE 9 7.602 4.973 -1.157 98 HE2 PHE 9 HE2 PHE 9 3.803 4.092 -2.879 99 HZ PHE 9 HZ PHE 9 5.436 3.806 -1.058 100 H ILE 10 H ILE 10 10.541 6.602 -5.768 101 HA ILE 10 HA ILE 10 11.344 7.490 -3.325 102 HB ILE 10 HB ILE 10 12.687 8.020 -5.976 103 HG12 ILE 10 2HG1 ILE 10 12.368 5.649 -5.465 104 HG13 ILE 10 3HG1 ILE 10 14.072 6.079 -5.353 105 HG21 ILE 10 1HG2 ILE 10 14.709 7.988 -4.198 106 HG22 ILE 10 2HG2 ILE 10 13.919 9.461 -4.757 107 HG23 ILE 10 3HG2 ILE 10 13.446 8.735 -3.221 108 HD11 ILE 10 3HD1 ILE 10 13.753 6.282 -2.877 109 HD12 ILE 10 1HD1 ILE 10 12.148 5.587 -3.101 110 HD13 ILE 10 2HD1 ILE 10 13.582 4.654 -3.533 111 H PHE 11 H PHE 11 10.723 9.533 -6.168 112 HA PHE 11 HA PHE 11 11.427 11.995 -5.180 113 HB2 PHE 11 2HB PHE 11 9.392 12.802 -6.632 114 HB3 PHE 11 3HB PHE 11 10.790 12.060 -7.402 115 HD1 PHE 11 HD1 PHE 11 7.281 11.626 -6.475 116 HD2 PHE 11 HD2 PHE 11 10.652 9.862 -8.384 117 HE1 PHE 11 HE1 PHE 11 5.813 9.938 -7.500 118 HE2 PHE 11 HE2 PHE 11 9.189 8.172 -9.412 119 HZ PHE 11 HZ PHE 11 6.766 8.209 -8.971 120 H ILE 12 H ILE 12 8.321 10.327 -4.772 121 HA ILE 12 HA ILE 12 7.836 11.943 -2.380 122 HB ILE 12 HB ILE 12 5.977 11.715 -4.729 123 HG12 ILE 12 2HG1 ILE 12 5.733 14.228 -3.794 124 HG13 ILE 12 3HG1 ILE 12 7.361 13.870 -3.228 125 HG21 ILE 12 1HG2 ILE 12 4.384 12.910 -2.973 126 HG22 ILE 12 2HG2 ILE 12 4.411 11.159 -3.177 127 HG23 ILE 12 3HG2 ILE 12 5.299 11.906 -1.849 128 HD11 ILE 12 3HD1 ILE 12 7.104 14.989 -5.501 129 HD12 ILE 12 1HD1 ILE 12 8.174 13.590 -5.394 130 HD13 ILE 12 2HD1 ILE 12 6.556 13.414 -6.076 Start of MODEL 6 1 H1 TYR 1 H TYR 1 0.097 -5.254 -3.616 2 HA TYR 1 HA TYR 1 -0.515 -2.477 -2.896 3 HB2 TYR 1 2HB TYR 1 1.650 -1.867 -2.500 4 HB3 TYR 1 3HB TYR 1 1.758 -3.545 -1.982 5 HD1 TYR 1 HD2 TYR 1 2.477 -1.227 -4.772 6 HD2 TYR 1 HD1 TYR 1 3.139 -5.096 -3.129 7 HE1 TYR 1 HE2 TYR 1 4.264 -1.614 -6.418 8 HE2 TYR 1 HE1 TYR 1 4.928 -5.493 -4.770 9 HH TYR 1 HH TYR 1 6.289 -4.486 -6.290 10 H VAL 2 H VAL 2 0.191 -0.925 -4.576 11 HA VAL 2 HA VAL 2 -0.670 -1.771 -7.142 12 HB VAL 2 HB VAL 2 -1.015 0.524 -6.365 13 HG11 VAL 2 1HG1 VAL 2 0.641 1.534 -5.276 14 HG12 VAL 2 2HG1 VAL 2 1.831 0.381 -5.883 15 HG13 VAL 2 3HG1 VAL 2 1.409 1.801 -6.841 16 HG21 VAL 2 3HG2 VAL 2 0.065 -0.242 -8.912 17 HG22 VAL 2 1HG2 VAL 2 -1.178 0.952 -8.539 18 HG23 VAL 2 2HG2 VAL 2 0.523 1.420 -8.536 19 H LEU 3 H LEU 3 1.789 0.267 -7.858 20 HA LEU 3 HA LEU 3 3.680 -1.914 -8.439 21 HB2 LEU 3 2HB LEU 3 4.190 -0.822 -10.577 22 HB3 LEU 3 3HB LEU 3 2.518 -1.370 -10.477 23 HG LEU 3 HG LEU 3 2.773 1.394 -9.656 24 HD11 LEU 3 1HD1 LEU 3 4.119 0.538 -12.152 25 HD12 LEU 3 2HD1 LEU 3 4.455 1.906 -11.091 26 HD13 LEU 3 3HD1 LEU 3 3.108 1.981 -12.227 27 HD21 LEU 3 3HD2 LEU 3 0.869 -0.248 -10.728 28 HD22 LEU 3 1HD2 LEU 3 1.325 0.746 -12.111 29 HD23 LEU 3 2HD2 LEU 3 0.759 1.510 -10.625 30 H PHE 4 H PHE 4 3.152 1.411 -7.564 31 HA PHE 4 HA PHE 4 6.042 1.702 -7.068 32 HB2 PHE 4 2HB PHE 4 5.557 4.207 -7.247 33 HB3 PHE 4 3HB PHE 4 5.535 3.284 -8.746 34 HD1 PHE 4 HD2 PHE 4 3.223 4.430 -6.055 35 HD2 PHE 4 HD1 PHE 4 3.771 3.573 -10.188 36 HE1 PHE 4 HE2 PHE 4 0.953 5.254 -6.523 37 HE2 PHE 4 HE1 PHE 4 1.501 4.396 -10.663 38 HZ PHE 4 HZ PHE 4 0.089 5.237 -8.829 39 H LYS 5 H LYS 5 3.917 0.619 -5.329 40 HA LYS 5 HA LYS 5 3.416 2.605 -3.309 41 HB2 LYS 5 2HB LYS 5 1.985 0.531 -3.907 42 HB3 LYS 5 3HB LYS 5 3.126 -0.360 -2.909 43 HG2 LYS 5 2HG LYS 5 2.290 0.456 -0.993 44 HG3 LYS 5 3HG LYS 5 2.025 2.064 -1.671 45 HD2 LYS 5 2HD LYS 5 0.159 0.719 -3.033 46 HD3 LYS 5 3HD LYS 5 0.225 -0.289 -1.586 47 HE2 LYS 5 2HE LYS 5 -0.053 2.699 -1.442 48 HE3 LYS 5 3HE LYS 5 -1.451 1.637 -1.604 49 HZ1 LYS 5 3HZ LYS 5 -1.384 1.584 0.614 50 HZ2 LYS 5 1HZ LYS 5 0.206 2.156 0.694 51 HZ3 LYS 5 2HZ LYS 5 -0.089 0.511 0.432 52 H ARG 6 H ARG 6 6.127 0.943 -4.157 53 HA ARG 6 HA ARG 6 7.095 0.497 -1.443 54 HB2 ARG 6 2HB ARG 6 8.258 -0.095 -4.163 55 HB3 ARG 6 3HB ARG 6 9.160 -0.326 -2.671 56 HG2 ARG 6 2HG ARG 6 6.578 -1.587 -2.506 57 HG3 ARG 6 3HG ARG 6 7.468 -2.147 -3.923 58 HD2 ARG 6 2HD ARG 6 9.234 -2.964 -2.640 59 HD3 ARG 6 3HD ARG 6 8.791 -1.988 -1.240 60 HE ARG 6 HE ARG 6 6.793 -3.919 -1.946 61 HH11 ARG 6 1HH1 ARG 6 9.769 -3.409 -0.213 62 HH12 ARG 6 2HH1 ARG 6 9.504 -4.719 0.889 63 HH21 ARG 6 1HH2 ARG 6 6.434 -5.648 -0.502 64 HH22 ARG 6 2HH2 ARG 6 7.607 -5.993 0.723 65 H LYS 7 H LYS 7 9.206 1.558 -4.006 66 HA LYS 7 HA LYS 7 9.679 4.072 -2.541 67 HB2 LYS 7 2HB LYS 7 11.633 2.126 -3.737 68 HB3 LYS 7 3HB LYS 7 12.071 3.811 -3.492 69 HG2 LYS 7 2HG LYS 7 12.841 2.899 -1.551 70 HG3 LYS 7 3HG LYS 7 11.208 3.349 -1.056 71 HD2 LYS 7 2HD LYS 7 11.613 1.126 -0.282 72 HD3 LYS 7 3HD LYS 7 10.484 1.022 -1.636 73 HE2 LYS 7 2HE LYS 7 12.076 0.131 -3.060 74 HE3 LYS 7 3HE LYS 7 13.423 0.770 -2.119 75 HZ1 LYS 7 3HZ LYS 7 13.406 -0.989 -0.735 76 HZ2 LYS 7 1HZ LYS 7 12.665 -1.769 -2.040 77 HZ3 LYS 7 2HZ LYS 7 11.724 -1.165 -0.771 78 H ARG 8 H ARG 8 8.940 2.575 -5.502 79 HA ARG 8 HA ARG 8 9.960 4.556 -7.274 80 HB2 ARG 8 2HB ARG 8 7.692 2.604 -7.712 81 HB3 ARG 8 3HB ARG 8 8.557 3.487 -8.962 82 HG2 ARG 8 2HG ARG 8 9.853 1.692 -9.135 83 HG3 ARG 8 3HG ARG 8 10.568 2.190 -7.601 84 HD2 ARG 8 2HD ARG 8 9.968 0.071 -7.036 85 HD3 ARG 8 3HD ARG 8 8.461 0.895 -6.640 86 HE ARG 8 HE ARG 8 7.440 -0.180 -8.396 87 HH11 ARG 8 1HH1 ARG 8 10.891 -0.584 -8.622 88 HH12 ARG 8 2HH1 ARG 8 10.801 -1.764 -9.888 89 HH21 ARG 8 1HH2 ARG 8 7.309 -1.733 -10.061 90 HH22 ARG 8 2HH2 ARG 8 8.763 -2.416 -10.706 91 H PHE 9 H PHE 9 7.412 4.572 -5.081 92 HA PHE 9 HA PHE 9 5.297 5.848 -6.169 93 HB2 PHE 9 2HB PHE 9 5.597 5.319 -3.743 94 HB3 PHE 9 3HB PHE 9 6.613 6.750 -3.600 95 HD1 PHE 9 HD2 PHE 9 3.509 6.411 -5.589 96 HD2 PHE 9 HD1 PHE 9 5.356 8.065 -2.129 97 HE1 PHE 9 HE2 PHE 9 1.510 7.786 -5.182 98 HE2 PHE 9 HE1 PHE 9 3.359 9.441 -1.716 99 HZ PHE 9 HZ PHE 9 1.433 9.304 -3.244 100 H ILE 10 H ILE 10 7.938 7.745 -4.706 101 HA ILE 10 HA ILE 10 7.606 9.715 -6.868 102 HB ILE 10 HB ILE 10 8.104 10.407 -3.972 103 HG12 ILE 10 2HG1 ILE 10 5.592 10.846 -5.597 104 HG13 ILE 10 3HG1 ILE 10 5.801 9.530 -4.447 105 HG21 ILE 10 1HG2 ILE 10 8.877 12.305 -4.849 106 HG22 ILE 10 2HG2 ILE 10 8.309 11.880 -6.462 107 HG23 ILE 10 3HG2 ILE 10 7.212 12.650 -5.316 108 HD11 ILE 10 3HD1 ILE 10 4.950 12.193 -3.975 109 HD12 ILE 10 1HD1 ILE 10 5.093 10.857 -2.834 110 HD13 ILE 10 2HD1 ILE 10 6.467 11.927 -3.115 111 H PHE 11 H PHE 11 9.669 7.775 -5.006 112 HA PHE 11 HA PHE 11 12.055 9.348 -5.425 113 HB2 PHE 11 2HB PHE 11 12.188 6.473 -4.641 114 HB3 PHE 11 3HB PHE 11 13.135 7.839 -4.060 115 HD1 PHE 11 HD2 PHE 11 10.873 9.677 -3.343 116 HD2 PHE 11 HD1 PHE 11 11.478 5.526 -2.622 117 HE1 PHE 11 HE2 PHE 11 9.443 9.819 -1.346 118 HE2 PHE 11 HE1 PHE 11 10.047 5.661 -0.624 119 HZ PHE 11 HZ PHE 11 9.029 7.810 0.017 120 H ILE 12 H ILE 12 10.801 6.235 -6.607 121 HA ILE 12 HA ILE 12 12.585 6.514 -8.938 122 HB ILE 12 HB ILE 12 11.613 3.826 -8.076 123 HG12 ILE 12 2HG1 ILE 12 12.527 4.725 -6.019 124 HG13 ILE 12 3HG1 ILE 12 13.666 3.564 -6.692 125 HG21 ILE 12 1HG2 ILE 12 13.734 4.969 -9.786 126 HG22 ILE 12 2HG2 ILE 12 14.129 3.486 -8.919 127 HG23 ILE 12 3HG2 ILE 12 12.746 3.526 -10.012 128 HD11 ILE 12 3HD1 ILE 12 14.027 6.348 -6.075 129 HD12 ILE 12 1HD1 ILE 12 15.225 5.115 -6.466 130 HD13 ILE 12 2HD1 ILE 12 14.430 6.013 -7.759 Start of MODEL 7 1 H1 TYR 1 H TYR 1 -2.270 -4.565 -5.444 2 HA TYR 1 HA TYR 1 -1.406 -2.694 -3.809 3 HB2 TYR 1 2HB TYR 1 0.819 -2.761 -3.321 4 HB3 TYR 1 3HB TYR 1 0.568 -4.491 -3.531 5 HD1 TYR 1 HD1 TYR 1 1.837 -1.430 -5.167 6 HD2 TYR 1 HD2 TYR 1 1.611 -5.676 -5.310 7 HE1 TYR 1 HE1 TYR 1 3.549 -1.455 -6.933 8 HE2 TYR 1 HE2 TYR 1 3.323 -5.713 -7.075 9 HH TYR 1 HH TYR 1 4.598 -4.500 -8.430 10 H VAL 2 H VAL 2 -0.364 -0.795 -4.811 11 HA VAL 2 HA VAL 2 -1.314 -0.397 -7.450 12 HB VAL 2 HB VAL 2 -1.178 1.438 -5.831 13 HG11 VAL 2 1HG1 VAL 2 1.547 0.536 -5.611 14 HG12 VAL 2 2HG1 VAL 2 1.488 2.261 -5.981 15 HG13 VAL 2 3HG1 VAL 2 0.641 1.631 -4.568 16 HG21 VAL 2 3HG2 VAL 2 0.535 2.777 -7.601 17 HG22 VAL 2 1HG2 VAL 2 -0.248 1.510 -8.547 18 HG23 VAL 2 2HG2 VAL 2 -1.225 2.687 -7.670 19 H LEU 3 H LEU 3 1.510 1.226 -7.528 20 HA LEU 3 HA LEU 3 2.935 -0.912 -8.965 21 HB2 LEU 3 2HB LEU 3 3.669 0.747 -10.607 22 HB3 LEU 3 3HB LEU 3 1.917 0.557 -10.590 23 HG LEU 3 HG LEU 3 2.792 2.725 -8.870 24 HD11 LEU 3 1HD1 LEU 3 4.618 2.946 -10.431 25 HD12 LEU 3 2HD1 LEU 3 3.450 4.239 -10.703 26 HD13 LEU 3 3HD1 LEU 3 3.504 2.856 -11.796 27 HD21 LEU 3 3HD2 LEU 3 0.818 3.550 -9.506 28 HD22 LEU 3 1HD2 LEU 3 0.555 1.994 -10.295 29 HD23 LEU 3 2HD2 LEU 3 1.192 3.354 -11.220 30 H PHE 4 H PHE 4 3.096 1.991 -7.020 31 HA PHE 4 HA PHE 4 5.952 1.447 -6.541 32 HB2 PHE 4 2HB PHE 4 6.070 3.929 -5.947 33 HB3 PHE 4 3HB PHE 4 5.897 3.531 -7.653 34 HD1 PHE 4 HD2 PHE 4 3.732 4.224 -4.692 35 HD2 PHE 4 HD1 PHE 4 4.383 4.747 -8.866 36 HE1 PHE 4 HE2 PHE 4 1.739 5.659 -4.819 37 HE2 PHE 4 HE1 PHE 4 2.391 6.185 -9.000 38 HZ PHE 4 HZ PHE 4 1.065 6.641 -6.975 39 H LYS 5 H LYS 5 3.543 0.429 -5.160 40 HA LYS 5 HA LYS 5 3.152 1.736 -2.703 41 HB2 LYS 5 2HB LYS 5 1.611 0.035 -3.543 42 HB3 LYS 5 3HB LYS 5 2.860 -1.194 -3.393 43 HG2 LYS 5 2HG LYS 5 2.521 -1.449 -1.194 44 HG3 LYS 5 3HG LYS 5 2.305 0.282 -0.923 45 HD2 LYS 5 2HD LYS 5 0.047 -0.175 -2.238 46 HD3 LYS 5 3HD LYS 5 0.302 -1.805 -1.609 47 HE2 LYS 5 2HE LYS 5 0.804 -0.182 0.567 48 HE3 LYS 5 3HE LYS 5 -0.545 0.618 -0.238 49 HZ1 LYS 5 3HZ LYS 5 -1.719 -0.848 0.984 50 HZ2 LYS 5 1HZ LYS 5 -0.450 -1.959 1.107 51 HZ3 LYS 5 2HZ LYS 5 -1.382 -1.893 -0.302 52 H ARG 6 H ARG 6 5.810 -0.007 -3.885 53 HA ARG 6 HA ARG 6 6.786 -0.768 -1.249 54 HB2 ARG 6 2HB ARG 6 7.083 -2.281 -3.200 55 HB3 ARG 6 3HB ARG 6 8.113 -1.068 -3.948 56 HG2 ARG 6 2HG ARG 6 9.826 -2.072 -2.962 57 HG3 ARG 6 3HG ARG 6 9.216 -1.433 -1.434 58 HD2 ARG 6 2HD ARG 6 9.419 -3.711 -1.016 59 HD3 ARG 6 3HD ARG 6 7.711 -3.523 -1.412 60 HE ARG 6 HE ARG 6 9.013 -4.115 -3.782 61 HH11 ARG 6 1HH1 ARG 6 8.478 -5.633 -0.695 62 HH12 ARG 6 2HH1 ARG 6 8.532 -7.244 -1.330 63 HH21 ARG 6 1HH2 ARG 6 9.086 -6.231 -4.631 64 HH22 ARG 6 2HH2 ARG 6 8.879 -7.583 -3.569 65 H LYS 7 H LYS 7 9.157 0.184 -3.523 66 HA LYS 7 HA LYS 7 9.629 2.692 -2.051 67 HB2 LYS 7 2HB LYS 7 12.032 1.427 -3.136 68 HB3 LYS 7 3HB LYS 7 11.747 2.123 -1.546 69 HG2 LYS 7 2HG LYS 7 10.493 0.020 -0.971 70 HG3 LYS 7 3HG LYS 7 11.099 -0.657 -2.484 71 HD2 LYS 7 2HD LYS 7 12.889 0.493 -0.352 72 HD3 LYS 7 3HD LYS 7 12.444 -1.214 -0.427 73 HE2 LYS 7 2HE LYS 7 13.316 -0.411 -3.008 74 HE3 LYS 7 3HE LYS 7 14.502 0.154 -1.833 75 HZ1 LYS 7 3HZ LYS 7 13.590 -2.622 -2.309 76 HZ2 LYS 7 1HZ LYS 7 14.434 -2.176 -0.911 77 HZ3 LYS 7 2HZ LYS 7 15.160 -2.002 -2.429 78 H ARG 8 H ARG 8 8.845 1.397 -4.949 79 HA ARG 8 HA ARG 8 10.510 2.697 -6.793 80 HB2 ARG 8 2HB ARG 8 7.866 1.392 -6.849 81 HB3 ARG 8 3HB ARG 8 8.130 2.591 -8.107 82 HG2 ARG 8 2HG ARG 8 8.720 0.362 -8.873 83 HG3 ARG 8 3HG ARG 8 10.138 1.412 -8.825 84 HD2 ARG 8 2HD ARG 8 10.693 0.438 -6.598 85 HD3 ARG 8 3HD ARG 8 9.364 -0.699 -6.818 86 HE ARG 8 HE ARG 8 10.688 -1.908 -8.236 87 HH11 ARG 8 1HH1 ARG 8 12.054 1.271 -7.846 88 HH12 ARG 8 2HH1 ARG 8 13.506 0.896 -8.714 89 HH21 ARG 8 1HH2 ARG 8 12.595 -2.414 -9.380 90 HH22 ARG 8 2HH2 ARG 8 13.812 -1.200 -9.587 91 H PHE 9 H PHE 9 8.198 3.949 -4.647 92 HA PHE 9 HA PHE 9 7.495 6.265 -6.209 93 HB2 PHE 9 2HB PHE 9 6.178 6.937 -4.354 94 HB3 PHE 9 3HB PHE 9 6.035 5.184 -4.427 95 HD1 PHE 9 HD2 PHE 9 7.749 3.863 -2.952 96 HD2 PHE 9 HD1 PHE 9 6.673 7.936 -2.344 97 HE1 PHE 9 HE2 PHE 9 8.488 3.706 -0.611 98 HE2 PHE 9 HE1 PHE 9 7.411 7.785 -0.002 99 HZ PHE 9 HZ PHE 9 8.319 5.668 0.868 100 H ILE 10 H ILE 10 10.261 5.999 -6.046 101 HA ILE 10 HA ILE 10 11.463 7.498 -3.990 102 HB ILE 10 HB ILE 10 12.416 7.088 -6.827 103 HG12 ILE 10 2HG1 ILE 10 12.072 4.978 -5.642 104 HG13 ILE 10 3HG1 ILE 10 13.792 5.290 -5.850 105 HG21 ILE 10 1HG2 ILE 10 14.664 7.387 -5.397 106 HG22 ILE 10 2HG2 ILE 10 13.845 8.724 -6.203 107 HG23 ILE 10 3HG2 ILE 10 13.589 8.442 -4.481 108 HD11 ILE 10 3HD1 ILE 10 13.495 4.458 -3.662 109 HD12 ILE 10 1HD1 ILE 10 13.800 6.188 -3.507 110 HD13 ILE 10 2HD1 ILE 10 12.158 5.564 -3.347 111 H PHE 11 H PHE 11 9.431 8.475 -6.488 112 HA PHE 11 HA PHE 11 10.545 11.165 -6.668 113 HB2 PHE 11 2HB PHE 11 8.503 11.444 -8.247 114 HB3 PHE 11 3HB PHE 11 9.859 10.457 -8.783 115 HD1 PHE 11 HD2 PHE 11 9.681 7.987 -8.724 116 HD2 PHE 11 HD1 PHE 11 6.355 10.515 -7.914 117 HE1 PHE 11 HE2 PHE 11 8.155 6.093 -9.097 118 HE2 PHE 11 HE1 PHE 11 4.823 8.625 -8.284 119 HZ PHE 11 HZ PHE 11 5.723 6.411 -8.878 120 H ILE 12 H ILE 12 7.448 9.625 -5.821 121 HA ILE 12 HA ILE 12 6.982 11.766 -3.881 122 HB ILE 12 HB ILE 12 5.123 11.019 -6.121 123 HG12 ILE 12 2HG1 ILE 12 4.929 13.694 -5.784 124 HG13 ILE 12 3HG1 ILE 12 6.564 13.432 -5.185 125 HG21 ILE 12 1HG2 ILE 12 3.652 10.810 -4.332 126 HG22 ILE 12 2HG2 ILE 12 4.437 12.092 -3.411 127 HG23 ILE 12 3HG2 ILE 12 3.455 12.493 -4.821 128 HD11 ILE 12 3HD1 ILE 12 5.662 12.366 -7.836 129 HD12 ILE 12 1HD1 ILE 12 6.283 14.006 -7.644 130 HD13 ILE 12 2HD1 ILE 12 7.305 12.623 -7.248 Start of MODEL 8 1 H1 TYR 1 H TYR 1 -0.160 -2.977 -1.744 2 HA TYR 1 HA TYR 1 -0.069 -0.073 -2.190 3 HB2 TYR 1 2HB TYR 1 2.207 0.046 -2.124 4 HB3 TYR 1 3HB TYR 1 1.999 -1.304 -1.015 5 HD1 TYR 1 HD1 TYR 1 2.860 -0.396 -4.493 6 HD2 TYR 1 HD2 TYR 1 2.811 -3.471 -1.553 7 HE1 TYR 1 HE1 TYR 1 4.277 -1.792 -5.939 8 HE2 TYR 1 HE2 TYR 1 4.229 -4.876 -2.991 9 HH TYR 1 HH TYR 1 4.938 -5.129 -5.193 10 H VAL 2 H VAL 2 0.732 0.506 -4.366 11 HA VAL 2 HA VAL 2 -0.623 -0.992 -6.363 12 HB VAL 2 HB VAL 2 -0.386 1.435 -6.533 13 HG11 VAL 2 1HG1 VAL 2 1.567 2.345 -5.973 14 HG12 VAL 2 2HG1 VAL 2 2.411 0.805 -6.144 15 HG13 VAL 2 3HG1 VAL 2 2.165 1.838 -7.553 16 HG21 VAL 2 3HG2 VAL 2 -0.725 1.054 -8.697 17 HG22 VAL 2 1HG2 VAL 2 1.023 1.065 -8.933 18 HG23 VAL 2 2HG2 VAL 2 0.185 -0.454 -8.617 19 H LEU 3 H LEU 3 2.108 -0.011 -7.893 20 HA LEU 3 HA LEU 3 3.413 -2.639 -7.654 21 HB2 LEU 3 2HB LEU 3 3.861 -2.575 -10.066 22 HB3 LEU 3 3HB LEU 3 2.139 -2.633 -9.696 23 HG LEU 3 HG LEU 3 3.051 0.092 -10.031 24 HD11 LEU 3 1HD1 LEU 3 3.192 -0.391 -12.630 25 HD12 LEU 3 2HD1 LEU 3 3.856 -1.920 -12.057 26 HD13 LEU 3 3HD1 LEU 3 4.624 -0.399 -11.600 27 HD21 LEU 3 3HD2 LEU 3 0.998 0.309 -10.897 28 HD22 LEU 3 1HD2 LEU 3 0.736 -1.334 -10.311 29 HD23 LEU 3 2HD2 LEU 3 1.210 -1.061 -11.988 30 H PHE 4 H PHE 4 3.694 0.794 -8.101 31 HA PHE 4 HA PHE 4 6.627 0.553 -7.970 32 HB2 PHE 4 2HB PHE 4 6.513 2.978 -8.885 33 HB3 PHE 4 3HB PHE 4 6.222 1.642 -9.995 34 HD1 PHE 4 HD2 PHE 4 4.230 3.720 -7.613 35 HD2 PHE 4 HD1 PHE 4 4.510 1.951 -11.475 36 HE1 PHE 4 HE2 PHE 4 2.057 4.703 -8.217 37 HE2 PHE 4 HE1 PHE 4 2.337 2.933 -12.085 38 HZ PHE 4 HZ PHE 4 1.108 4.310 -10.455 39 H LYS 5 H LYS 5 4.634 0.584 -5.771 40 HA LYS 5 HA LYS 5 5.158 3.144 -4.469 41 HB2 LYS 5 2HB LYS 5 2.910 1.745 -4.485 42 HB3 LYS 5 3HB LYS 5 3.673 0.926 -3.128 43 HG2 LYS 5 2HG LYS 5 3.779 3.846 -2.978 44 HG3 LYS 5 3HG LYS 5 2.149 3.170 -2.949 45 HD2 LYS 5 2HD LYS 5 2.429 2.272 -0.904 46 HD3 LYS 5 3HD LYS 5 4.087 1.769 -1.245 47 HE2 LYS 5 2HE LYS 5 4.915 3.967 -0.795 48 HE3 LYS 5 3HE LYS 5 3.281 4.618 -0.688 49 HZ1 LYS 5 3HZ LYS 5 3.505 2.512 1.138 50 HZ2 LYS 5 1HZ LYS 5 3.280 4.157 1.461 51 HZ3 LYS 5 2HZ LYS 5 4.844 3.522 1.357 52 H ARG 6 H ARG 6 6.682 0.227 -4.771 53 HA ARG 6 HA ARG 6 7.549 -0.227 -2.098 54 HB2 ARG 6 2HB ARG 6 8.744 -1.114 -4.730 55 HB3 ARG 6 3HB ARG 6 9.242 -1.705 -3.150 56 HG2 ARG 6 2HG ARG 6 6.510 -2.101 -3.157 57 HG3 ARG 6 3HG ARG 6 6.999 -2.490 -4.807 58 HD2 ARG 6 2HD ARG 6 8.225 -4.292 -4.165 59 HD3 ARG 6 3HD ARG 6 8.680 -3.567 -2.623 60 HE ARG 6 HE ARG 6 6.384 -5.222 -3.157 61 HH11 ARG 6 1HH1 ARG 6 7.785 -2.832 -1.048 62 HH12 ARG 6 2HH1 ARG 6 6.802 -3.266 0.311 63 HH21 ARG 6 1HH2 ARG 6 5.084 -5.802 -1.375 64 HH22 ARG 6 2HH2 ARG 6 5.267 -4.956 0.125 65 H LYS 7 H LYS 7 9.789 0.419 -4.754 66 HA LYS 7 HA LYS 7 11.077 2.474 -3.079 67 HB2 LYS 7 2HB LYS 7 12.440 0.497 -4.917 68 HB3 LYS 7 3HB LYS 7 13.242 1.744 -3.971 69 HG2 LYS 7 2HG LYS 7 13.497 0.225 -2.378 70 HG3 LYS 7 3HG LYS 7 11.755 0.324 -2.110 71 HD2 LYS 7 2HD LYS 7 12.227 -1.968 -2.418 72 HD3 LYS 7 3HD LYS 7 11.518 -1.418 -3.939 73 HE2 LYS 7 2HE LYS 7 13.406 -1.801 -5.092 74 HE3 LYS 7 3HE LYS 7 14.432 -1.158 -3.810 75 HZ1 LYS 7 3HZ LYS 7 13.471 -3.494 -2.787 76 HZ2 LYS 7 1HZ LYS 7 15.011 -3.258 -3.447 77 HZ3 LYS 7 2HZ LYS 7 13.764 -3.872 -4.409 78 H ARG 8 H ARG 8 9.478 1.866 -5.923 79 HA ARG 8 HA ARG 8 10.948 3.592 -7.677 80 HB2 ARG 8 2HB ARG 8 8.149 2.468 -7.859 81 HB3 ARG 8 3HB ARG 8 8.936 3.382 -9.138 82 HG2 ARG 8 2HG ARG 8 9.296 1.212 -9.805 83 HG3 ARG 8 3HG ARG 8 10.789 1.578 -8.937 84 HD2 ARG 8 2HD ARG 8 10.296 0.173 -7.221 85 HD3 ARG 8 3HD ARG 8 8.560 0.452 -7.350 86 HE ARG 8 HE ARG 8 9.084 -0.944 -9.585 87 HH11 ARG 8 1HH1 ARG 8 9.916 -1.467 -6.245 88 HH12 ARG 8 2HH1 ARG 8 9.926 -3.194 -6.382 89 HH21 ARG 8 1HH2 ARG 8 9.093 -3.217 -9.778 90 HH22 ARG 8 2HH2 ARG 8 9.458 -4.188 -8.393 91 H PHE 9 H PHE 9 8.517 4.012 -5.269 92 HA PHE 9 HA PHE 9 8.205 6.828 -6.082 93 HB2 PHE 9 2HB PHE 9 6.241 4.832 -5.092 94 HB3 PHE 9 3HB PHE 9 6.060 6.482 -4.506 95 HD1 PHE 9 HD1 PHE 9 7.139 5.216 -7.833 96 HD2 PHE 9 HD2 PHE 9 4.217 7.351 -5.593 97 HE1 PHE 9 HE1 PHE 9 5.989 5.826 -9.921 98 HE2 PHE 9 HE2 PHE 9 3.062 7.964 -7.677 99 HZ PHE 9 HZ PHE 9 3.947 7.201 -9.845 100 H ILE 10 H ILE 10 10.331 6.765 -4.758 101 HA ILE 10 HA ILE 10 10.159 6.525 -1.931 102 HB ILE 10 HB ILE 10 12.217 8.110 -3.461 103 HG12 ILE 10 2HG1 ILE 10 11.987 5.838 -4.408 104 HG13 ILE 10 3HG1 ILE 10 13.535 6.063 -3.600 105 HG21 ILE 10 1HG2 ILE 10 11.870 7.293 -0.687 106 HG22 ILE 10 2HG2 ILE 10 13.441 6.848 -1.351 107 HG23 ILE 10 3HG2 ILE 10 12.915 8.531 -1.382 108 HD11 ILE 10 3HD1 ILE 10 12.676 3.898 -3.064 109 HD12 ILE 10 1HD1 ILE 10 12.607 4.906 -1.619 110 HD13 ILE 10 2HD1 ILE 10 11.139 4.586 -2.543 111 H PHE 11 H PHE 11 8.870 8.789 -3.969 112 HA PHE 11 HA PHE 11 9.269 11.082 -2.226 113 HB2 PHE 11 2HB PHE 11 7.505 11.995 -4.027 114 HB3 PHE 11 3HB PHE 11 9.234 11.920 -4.347 115 HD1 PHE 11 HD2 PHE 11 10.140 9.921 -5.596 116 HD2 PHE 11 HD1 PHE 11 5.984 10.800 -5.335 117 HE1 PHE 11 HE2 PHE 11 9.717 8.483 -7.547 118 HE2 PHE 11 HE1 PHE 11 5.554 9.363 -7.286 119 HZ PHE 11 HZ PHE 11 7.421 8.204 -8.395 120 H ILE 12 H ILE 12 6.403 9.481 -3.628 121 HA ILE 12 HA ILE 12 5.078 9.517 -1.052 122 HB ILE 12 HB ILE 12 3.073 10.690 -1.912 123 HG12 ILE 12 2HG1 ILE 12 4.327 10.389 -4.386 124 HG13 ILE 12 3HG1 ILE 12 2.858 11.301 -4.058 125 HG21 ILE 12 1HG2 ILE 12 4.664 11.883 -0.528 126 HG22 ILE 12 2HG2 ILE 12 5.629 12.288 -1.947 127 HG23 ILE 12 3HG2 ILE 12 4.010 12.961 -1.761 128 HD11 ILE 12 3HD1 ILE 12 4.553 12.572 -5.318 129 HD12 ILE 12 1HD1 ILE 12 4.117 13.324 -3.784 130 HD13 ILE 12 2HD1 ILE 12 5.637 12.442 -3.933 Start of MODEL 9 1 H1 TYR 1 H TYR 1 -2.235 -4.307 -5.448 2 HA TYR 1 HA TYR 1 -1.959 -1.896 -3.830 3 HB2 TYR 1 2HB TYR 1 0.237 -2.146 -3.274 4 HB3 TYR 1 3HB TYR 1 -0.187 -3.853 -3.349 5 HD1 TYR 1 HD2 TYR 1 1.428 -1.086 -5.188 6 HD2 TYR 1 HD1 TYR 1 0.762 -5.284 -4.996 7 HE1 TYR 1 HE2 TYR 1 3.163 -1.434 -6.896 8 HE2 TYR 1 HE1 TYR 1 2.496 -5.644 -6.702 9 HH TYR 1 HH TYR 1 4.686 -4.138 -7.446 10 H VAL 2 H VAL 2 -0.701 -0.205 -4.955 11 HA VAL 2 HA VAL 2 -1.550 0.056 -7.648 12 HB VAL 2 HB VAL 2 -1.276 2.003 -6.186 13 HG11 VAL 2 1HG1 VAL 2 1.342 0.867 -5.797 14 HG12 VAL 2 2HG1 VAL 2 1.458 2.554 -6.303 15 HG13 VAL 2 3HG1 VAL 2 0.515 2.123 -4.875 16 HG21 VAL 2 3HG2 VAL 2 0.612 3.010 -7.999 17 HG22 VAL 2 1HG2 VAL 2 -0.269 1.750 -8.863 18 HG23 VAL 2 2HG2 VAL 2 -1.145 3.090 -8.122 19 H LEU 3 H LEU 3 1.428 1.385 -7.752 20 HA LEU 3 HA LEU 3 2.666 -0.993 -8.971 21 HB2 LEU 3 2HB LEU 3 3.610 0.448 -10.709 22 HB3 LEU 3 3HB LEU 3 1.848 0.436 -10.738 23 HG LEU 3 HG LEU 3 2.886 2.637 -9.159 24 HD11 LEU 3 1HD1 LEU 3 3.754 2.405 -12.033 25 HD12 LEU 3 2HD1 LEU 3 4.779 2.609 -10.612 26 HD13 LEU 3 3HD1 LEU 3 3.718 3.919 -11.129 27 HD21 LEU 3 3HD2 LEU 3 1.037 3.610 -9.949 28 HD22 LEU 3 1HD2 LEU 3 0.634 2.025 -10.608 29 HD23 LEU 3 2HD2 LEU 3 1.440 3.221 -11.622 30 H PHE 4 H PHE 4 3.064 2.016 -7.237 31 HA PHE 4 HA PHE 4 5.839 1.235 -6.624 32 HB2 PHE 4 2HB PHE 4 6.160 3.749 -6.194 33 HB3 PHE 4 3HB PHE 4 6.057 3.218 -7.869 34 HD1 PHE 4 HD2 PHE 4 3.743 4.300 -5.145 35 HD2 PHE 4 HD1 PHE 4 4.782 4.501 -9.268 36 HE1 PHE 4 HE2 PHE 4 1.901 5.886 -5.528 37 HE2 PHE 4 HE1 PHE 4 2.942 6.088 -9.657 38 HZ PHE 4 HZ PHE 4 1.498 6.781 -7.787 39 H LYS 5 H LYS 5 3.323 0.549 -5.250 40 HA LYS 5 HA LYS 5 3.036 2.088 -2.898 41 HB2 LYS 5 2HB LYS 5 1.299 0.550 -3.708 42 HB3 LYS 5 3HB LYS 5 2.355 -0.818 -3.385 43 HG2 LYS 5 2HG LYS 5 0.643 -0.502 -1.652 44 HG3 LYS 5 3HG LYS 5 2.285 -0.371 -1.017 45 HD2 LYS 5 2HD LYS 5 2.016 1.786 -0.441 46 HD3 LYS 5 3HD LYS 5 1.127 2.169 -1.917 47 HE2 LYS 5 2HE LYS 5 -0.721 0.683 -0.700 48 HE3 LYS 5 3HE LYS 5 0.136 1.263 0.727 49 HZ1 LYS 5 3HZ LYS 5 -0.370 3.461 0.230 50 HZ2 LYS 5 1HZ LYS 5 -1.802 2.643 -0.149 51 HZ3 LYS 5 2HZ LYS 5 -0.752 3.128 -1.384 52 H ARG 6 H ARG 6 5.511 0.053 -3.900 53 HA ARG 6 HA ARG 6 6.280 -0.777 -1.216 54 HB2 ARG 6 2HB ARG 6 6.532 -2.383 -3.044 55 HB3 ARG 6 3HB ARG 6 7.594 -1.268 -3.894 56 HG2 ARG 6 2HG ARG 6 9.001 -1.417 -1.686 57 HG3 ARG 6 3HG ARG 6 8.127 -2.938 -1.492 58 HD2 ARG 6 2HD ARG 6 8.878 -3.150 -4.069 59 HD3 ARG 6 3HD ARG 6 10.206 -2.174 -3.441 60 HE ARG 6 HE ARG 6 9.677 -4.941 -2.887 61 HH11 ARG 6 1HH1 ARG 6 11.183 -2.030 -1.716 62 HH12 ARG 6 2HH1 ARG 6 12.322 -2.867 -0.713 63 HH21 ARG 6 1HH2 ARG 6 11.170 -6.055 -1.570 64 HH22 ARG 6 2HH2 ARG 6 12.314 -5.156 -0.632 65 H LYS 7 H LYS 7 8.785 -0.037 -3.458 66 HA LYS 7 HA LYS 7 9.469 2.398 -1.951 67 HB2 LYS 7 2HB LYS 7 10.919 0.685 -1.116 68 HB3 LYS 7 3HB LYS 7 11.284 0.119 -2.741 69 HG2 LYS 7 2HG LYS 7 11.946 2.935 -2.191 70 HG3 LYS 7 3HG LYS 7 12.892 1.730 -1.313 71 HD2 LYS 7 2HD LYS 7 12.480 1.290 -4.218 72 HD3 LYS 7 3HD LYS 7 13.571 2.594 -3.742 73 HE2 LYS 7 2HE LYS 7 14.663 0.363 -4.113 74 HE3 LYS 7 3HE LYS 7 14.969 1.097 -2.540 75 HZ1 LYS 7 3HZ LYS 7 14.443 -1.298 -2.432 76 HZ2 LYS 7 1HZ LYS 7 12.898 -0.970 -3.040 77 HZ3 LYS 7 2HZ LYS 7 13.366 -0.345 -1.540 78 H ARG 8 H ARG 8 8.758 1.079 -4.900 79 HA ARG 8 HA ARG 8 10.580 2.301 -6.647 80 HB2 ARG 8 2HB ARG 8 7.774 1.292 -6.922 81 HB3 ARG 8 3HB ARG 8 8.501 2.198 -8.242 82 HG2 ARG 8 2HG ARG 8 8.715 -0.241 -8.504 83 HG3 ARG 8 3HG ARG 8 10.273 0.585 -8.441 84 HD2 ARG 8 2HD ARG 8 10.763 -0.223 -6.329 85 HD3 ARG 8 3HD ARG 8 9.069 -0.514 -5.938 86 HE ARG 8 HE ARG 8 9.285 -2.609 -6.810 87 HH11 ARG 8 1HH1 ARG 8 11.853 -0.614 -8.054 88 HH12 ARG 8 2HH1 ARG 8 12.651 -1.921 -8.865 89 HH21 ARG 8 1HH2 ARG 8 10.327 -4.337 -7.874 90 HH22 ARG 8 2HH2 ARG 8 11.782 -4.038 -8.763 91 H PHE 9 H PHE 9 8.163 3.650 -4.675 92 HA PHE 9 HA PHE 9 7.678 5.980 -6.308 93 HB2 PHE 9 2HB PHE 9 6.186 6.682 -4.619 94 HB3 PHE 9 3HB PHE 9 6.029 4.929 -4.656 95 HD1 PHE 9 HD2 PHE 9 7.674 3.667 -3.003 96 HD2 PHE 9 HD1 PHE 9 6.394 7.704 -2.580 97 HE1 PHE 9 HE2 PHE 9 8.178 3.571 -0.597 98 HE2 PHE 9 HE1 PHE 9 6.897 7.615 -0.173 99 HZ PHE 9 HZ PHE 9 7.790 5.546 0.822 100 H ILE 10 H ILE 10 10.403 5.619 -5.871 101 HA ILE 10 HA ILE 10 11.483 7.028 -3.708 102 HB ILE 10 HB ILE 10 12.577 6.644 -6.495 103 HG12 ILE 10 2HG1 ILE 10 12.256 4.563 -5.265 104 HG13 ILE 10 3HG1 ILE 10 13.974 4.922 -5.398 105 HG21 ILE 10 1HG2 ILE 10 13.674 8.047 -4.122 106 HG22 ILE 10 2HG2 ILE 10 14.779 7.061 -5.079 107 HG23 ILE 10 3HG2 ILE 10 13.894 8.383 -5.839 108 HD11 ILE 10 3HD1 ILE 10 13.360 6.092 -3.027 109 HD12 ILE 10 1HD1 ILE 10 12.270 4.706 -3.035 110 HD13 ILE 10 2HD1 ILE 10 14.008 4.463 -3.215 111 H PHE 11 H PHE 11 9.749 8.151 -6.413 112 HA PHE 11 HA PHE 11 10.876 10.829 -6.327 113 HB2 PHE 11 2HB PHE 11 8.996 11.229 -8.061 114 HB3 PHE 11 3HB PHE 11 10.357 10.212 -8.522 115 HD1 PHE 11 HD2 PHE 11 10.089 7.742 -8.552 116 HD2 PHE 11 HD1 PHE 11 6.798 10.378 -7.974 117 HE1 PHE 11 HE2 PHE 11 8.535 5.923 -9.128 118 HE2 PHE 11 HE1 PHE 11 5.238 8.563 -8.548 119 HZ PHE 11 HZ PHE 11 6.106 6.333 -9.127 120 H ILE 12 H ILE 12 7.706 9.301 -5.795 121 HA ILE 12 HA ILE 12 6.303 11.544 -4.960 122 HB ILE 12 HB ILE 12 6.010 8.637 -4.257 123 HG12 ILE 12 2HG1 ILE 12 3.870 10.190 -5.583 124 HG13 ILE 12 3HG1 ILE 12 5.356 9.998 -6.507 125 HG21 ILE 12 1HG2 ILE 12 5.154 9.595 -2.313 126 HG22 ILE 12 2HG2 ILE 12 4.481 10.977 -3.178 127 HG23 ILE 12 3HG2 ILE 12 3.731 9.389 -3.335 128 HD11 ILE 12 3HD1 ILE 12 5.186 7.598 -6.344 129 HD12 ILE 12 1HD1 ILE 12 3.758 7.743 -5.320 130 HD13 ILE 12 2HD1 ILE 12 3.694 8.266 -7.003 Start of MODEL 10 1 H1 TYR 1 H TYR 1 -2.259 -4.815 -4.133 2 HA TYR 1 HA TYR 1 -1.491 -2.621 -3.615 3 HB2 TYR 1 2HB TYR 1 0.653 -2.187 -2.964 4 HB3 TYR 1 3HB TYR 1 0.633 -3.914 -2.624 5 HD1 TYR 1 HD1 TYR 1 1.709 -1.364 -5.078 6 HD2 TYR 1 HD2 TYR 1 2.040 -5.412 -3.809 7 HE1 TYR 1 HE1 TYR 1 3.619 -1.678 -6.596 8 HE2 TYR 1 HE2 TYR 1 3.951 -5.736 -5.323 9 HH TYR 1 HH TYR 1 5.516 -4.626 -6.578 10 H VAL 2 H VAL 2 -0.575 -0.961 -5.065 11 HA VAL 2 HA VAL 2 -1.233 -1.504 -7.765 12 HB VAL 2 HB VAL 2 -1.515 0.724 -6.786 13 HG11 VAL 2 1HG1 VAL 2 0.100 1.537 -5.491 14 HG12 VAL 2 2HG1 VAL 2 1.260 0.351 -6.092 15 HG13 VAL 2 3HG1 VAL 2 1.021 1.869 -6.957 16 HG21 VAL 2 3HG2 VAL 2 -0.275 0.135 -9.308 17 HG22 VAL 2 1HG2 VAL 2 -1.479 1.362 -8.914 18 HG23 VAL 2 2HG2 VAL 2 0.238 1.722 -8.736 19 H LEU 3 H LEU 3 1.373 0.430 -8.101 20 HA LEU 3 HA LEU 3 3.204 -1.797 -8.696 21 HB2 LEU 3 2HB LEU 3 3.941 -0.568 -10.696 22 HB3 LEU 3 3HB LEU 3 2.252 -1.065 -10.776 23 HG LEU 3 HG LEU 3 2.529 1.626 -9.736 24 HD11 LEU 3 1HD1 LEU 3 4.533 1.683 -11.112 25 HD12 LEU 3 2HD1 LEU 3 3.258 2.672 -11.824 26 HD13 LEU 3 3HD1 LEU 3 3.617 1.081 -12.495 27 HD21 LEU 3 3HD2 LEU 3 0.589 1.874 -10.821 28 HD22 LEU 3 1HD2 LEU 3 0.658 0.128 -11.058 29 HD23 LEU 3 2HD2 LEU 3 1.237 1.213 -12.323 30 H PHE 4 H PHE 4 2.766 1.511 -7.678 31 HA PHE 4 HA PHE 4 5.607 1.603 -6.899 32 HB2 PHE 4 2HB PHE 4 5.320 4.122 -6.994 33 HB3 PHE 4 3HB PHE 4 5.293 3.290 -8.546 34 HD1 PHE 4 HD2 PHE 4 3.015 4.580 -5.901 35 HD2 PHE 4 HD1 PHE 4 3.571 3.697 -10.027 36 HE1 PHE 4 HE2 PHE 4 0.843 5.616 -6.412 37 HE2 PHE 4 HE1 PHE 4 1.400 4.733 -10.545 38 HZ PHE 4 HZ PHE 4 0.032 5.693 -8.736 39 H LYS 5 H LYS 5 3.229 0.576 -5.443 40 HA LYS 5 HA LYS 5 2.517 2.415 -3.405 41 HB2 LYS 5 2HB LYS 5 1.241 0.337 -4.063 42 HB3 LYS 5 3HB LYS 5 2.465 -0.598 -3.214 43 HG2 LYS 5 2HG LYS 5 1.201 -0.386 -1.404 44 HG3 LYS 5 3HG LYS 5 1.694 1.308 -1.367 45 HD2 LYS 5 2HD LYS 5 -0.261 2.021 -2.430 46 HD3 LYS 5 3HD LYS 5 -0.631 0.405 -3.034 47 HE2 LYS 5 2HE LYS 5 -0.644 1.166 -0.118 48 HE3 LYS 5 3HE LYS 5 -2.078 1.167 -1.144 49 HZ1 LYS 5 3HZ LYS 5 -2.297 -0.946 -0.527 50 HZ2 LYS 5 1HZ LYS 5 -0.727 -1.034 0.099 51 HZ3 LYS 5 2HZ LYS 5 -0.996 -1.292 -1.551 52 H ARG 6 H ARG 6 5.383 0.782 -4.012 53 HA ARG 6 HA ARG 6 6.173 0.537 -1.223 54 HB2 ARG 6 2HB ARG 6 7.402 -0.227 -3.847 55 HB3 ARG 6 3HB ARG 6 8.415 -0.110 -2.414 56 HG2 ARG 6 2HG ARG 6 5.958 -1.663 -2.044 57 HG3 ARG 6 3HG ARG 6 7.100 -2.343 -3.205 58 HD2 ARG 6 2HD ARG 6 8.720 -1.583 -1.120 59 HD3 ARG 6 3HD ARG 6 7.266 -2.149 -0.299 60 HE ARG 6 HE ARG 6 7.800 -4.098 -2.122 61 HH11 ARG 6 1HH1 ARG 6 9.622 -2.563 0.416 62 HH12 ARG 6 2HH1 ARG 6 10.589 -3.963 0.747 63 HH21 ARG 6 1HH2 ARG 6 9.066 -5.947 -1.697 64 HH22 ARG 6 2HH2 ARG 6 10.272 -5.886 -0.456 65 H LYS 7 H LYS 7 8.581 1.492 -3.487 66 HA LYS 7 HA LYS 7 8.683 4.177 -2.276 67 HB2 LYS 7 2HB LYS 7 11.172 2.772 -3.172 68 HB3 LYS 7 3HB LYS 7 10.986 4.056 -1.984 69 HG2 LYS 7 2HG LYS 7 10.001 2.498 -0.412 70 HG3 LYS 7 3HG LYS 7 10.093 1.204 -1.609 71 HD2 LYS 7 2HD LYS 7 12.437 2.694 -0.427 72 HD3 LYS 7 3HD LYS 7 11.928 1.058 0.001 73 HE2 LYS 7 2HE LYS 7 12.244 0.476 -2.447 74 HE3 LYS 7 3HE LYS 7 13.047 2.036 -2.616 75 HZ1 LYS 7 3HZ LYS 7 14.796 1.376 -1.285 76 HZ2 LYS 7 1HZ LYS 7 14.453 -0.045 -2.138 77 HZ3 LYS 7 2HZ LYS 7 13.920 0.133 -0.542 78 H ARG 8 H ARG 8 8.369 2.402 -5.083 79 HA ARG 8 HA ARG 8 9.828 3.990 -6.920 80 HB2 ARG 8 2HB ARG 8 7.448 2.169 -7.291 81 HB3 ARG 8 3HB ARG 8 8.299 2.940 -8.622 82 HG2 ARG 8 2HG ARG 8 9.273 0.859 -8.568 83 HG3 ARG 8 3HG ARG 8 10.397 1.811 -7.597 84 HD2 ARG 8 2HD ARG 8 9.736 0.830 -5.626 85 HD3 ARG 8 3HD ARG 8 8.133 0.431 -6.240 86 HE ARG 8 HE ARG 8 8.959 -1.593 -6.874 87 HH11 ARG 8 1HH1 ARG 8 11.613 0.646 -6.614 88 HH12 ARG 8 2HH1 ARG 8 12.823 -0.550 -6.942 89 HH21 ARG 8 1HH2 ARG 8 10.543 -3.175 -7.307 90 HH22 ARG 8 2HH2 ARG 8 12.214 -2.723 -7.337 91 H PHE 9 H PHE 9 7.180 4.738 -5.056 92 HA PHE 9 HA PHE 9 5.326 6.051 -6.496 93 HB2 PHE 9 2HB PHE 9 5.468 5.999 -4.000 94 HB3 PHE 9 3HB PHE 9 6.676 7.277 -4.084 95 HD1 PHE 9 HD1 PHE 9 3.560 6.893 -6.065 96 HD2 PHE 9 HD2 PHE 9 5.639 9.093 -3.073 97 HE1 PHE 9 HE1 PHE 9 1.769 8.579 -6.065 98 HE2 PHE 9 HE2 PHE 9 3.851 10.782 -3.067 99 HZ PHE 9 HZ PHE 9 1.912 10.527 -4.564 100 H ILE 10 H ILE 10 8.220 7.778 -5.324 101 HA ILE 10 HA ILE 10 8.179 9.346 -7.818 102 HB ILE 10 HB ILE 10 8.766 10.412 -5.053 103 HG12 ILE 10 2HG1 ILE 10 6.362 10.034 -5.508 104 HG13 ILE 10 3HG1 ILE 10 6.747 11.743 -5.344 105 HG21 ILE 10 1HG2 ILE 10 8.841 12.615 -6.265 106 HG22 ILE 10 2HG2 ILE 10 10.190 11.528 -6.587 107 HG23 ILE 10 3HG2 ILE 10 8.893 11.698 -7.770 108 HD11 ILE 10 3HD1 ILE 10 6.953 10.941 -8.089 109 HD12 ILE 10 1HD1 ILE 10 5.380 10.494 -7.429 110 HD13 ILE 10 2HD1 ILE 10 5.926 12.169 -7.351 111 H PHE 11 H PHE 11 9.998 7.693 -5.385 112 HA PHE 11 HA PHE 11 12.532 8.507 -6.615 113 HB2 PHE 11 2HB PHE 11 12.999 6.771 -4.427 114 HB3 PHE 11 3HB PHE 11 13.294 8.504 -4.514 115 HD1 PHE 11 HD2 PHE 11 11.307 10.049 -3.984 116 HD2 PHE 11 HD1 PHE 11 11.441 5.925 -2.940 117 HE1 PHE 11 HE2 PHE 11 9.578 10.429 -2.276 118 HE2 PHE 11 HE1 PHE 11 9.711 6.298 -1.231 119 HZ PHE 11 HZ PHE 11 8.778 8.552 -0.896 120 H ILE 12 H ILE 12 11.932 5.463 -4.970 121 HA ILE 12 HA ILE 12 11.949 3.946 -7.435 122 HB ILE 12 HB ILE 12 13.904 2.546 -6.655 123 HG12 ILE 12 2HG1 ILE 12 13.763 3.813 -4.335 124 HG13 ILE 12 3HG1 ILE 12 15.302 3.227 -4.958 125 HG21 ILE 12 1HG2 ILE 12 14.425 5.406 -7.453 126 HG22 ILE 12 2HG2 ILE 12 15.578 4.081 -7.598 127 HG23 ILE 12 3HG2 ILE 12 14.088 4.059 -8.540 128 HD11 ILE 12 3HD1 ILE 12 16.042 5.339 -5.482 129 HD12 ILE 12 1HD1 ILE 12 14.411 6.002 -5.584 130 HD13 ILE 12 2HD1 ILE 12 15.115 5.630 -4.010 Start of MODEL 11 1 H1 TYR 1 H TYR 1 -2.267 -4.759 -3.791 2 HA TYR 1 HA TYR 1 -1.513 -2.609 -3.689 3 HB2 TYR 1 2HB TYR 1 0.635 -2.463 -2.943 4 HB3 TYR 1 3HB TYR 1 0.486 -4.216 -2.899 5 HD1 TYR 1 HD2 TYR 1 1.820 -1.374 -4.846 6 HD2 TYR 1 HD1 TYR 1 1.789 -5.597 -4.331 7 HE1 TYR 1 HE2 TYR 1 3.737 -1.569 -6.375 8 HE2 TYR 1 HE1 TYR 1 3.707 -5.804 -5.857 9 HH TYR 1 HH TYR 1 4.685 -3.424 -7.912 10 H VAL 2 H VAL 2 -0.431 -0.828 -4.857 11 HA VAL 2 HA VAL 2 -1.061 -0.908 -7.620 12 HB VAL 2 HB VAL 2 -1.220 1.161 -6.319 13 HG11 VAL 2 1HG1 VAL 2 1.495 0.488 -5.629 14 HG12 VAL 2 2HG1 VAL 2 1.397 2.130 -6.269 15 HG13 VAL 2 3HG1 VAL 2 0.406 1.661 -4.888 16 HG21 VAL 2 3HG2 VAL 2 0.651 2.317 -8.060 17 HG22 VAL 2 1HG2 VAL 2 0.053 0.872 -8.876 18 HG23 VAL 2 2HG2 VAL 2 -1.080 2.107 -8.327 19 H LEU 3 H LEU 3 1.678 0.865 -7.609 20 HA LEU 3 HA LEU 3 3.368 -1.370 -8.513 21 HB2 LEU 3 2HB LEU 3 4.235 0.066 -10.293 22 HB3 LEU 3 3HB LEU 3 2.504 -0.223 -10.457 23 HG LEU 3 HG LEU 3 3.057 2.224 -9.002 24 HD11 LEU 3 1HD1 LEU 3 4.264 1.863 -11.730 25 HD12 LEU 3 2HD1 LEU 3 5.034 2.464 -10.263 26 HD13 LEU 3 3HD1 LEU 3 3.818 3.443 -11.083 27 HD21 LEU 3 3HD2 LEU 3 1.765 2.394 -11.607 28 HD22 LEU 3 1HD2 LEU 3 1.160 2.832 -10.010 29 HD23 LEU 3 2HD2 LEU 3 1.060 1.160 -10.561 30 H PHE 4 H PHE 4 3.144 1.781 -7.019 31 HA PHE 4 HA PHE 4 5.938 1.500 -6.128 32 HB2 PHE 4 2HB PHE 4 5.852 4.050 -5.902 33 HB3 PHE 4 3HB PHE 4 5.945 3.394 -7.533 34 HD1 PHE 4 HD2 PHE 4 3.339 4.346 -5.035 35 HD2 PHE 4 HD1 PHE 4 4.571 4.325 -9.109 36 HE1 PHE 4 HE2 PHE 4 1.316 5.605 -5.650 37 HE2 PHE 4 HE1 PHE 4 2.551 5.584 -9.731 38 HZ PHE 4 HZ PHE 4 0.919 6.225 -8.000 39 H LYS 5 H LYS 5 3.469 0.507 -4.890 40 HA LYS 5 HA LYS 5 2.740 2.159 -2.707 41 HB2 LYS 5 2HB LYS 5 1.326 0.319 -3.532 42 HB3 LYS 5 3HB LYS 5 2.529 -0.845 -2.991 43 HG2 LYS 5 2HG LYS 5 1.639 0.992 -0.900 44 HG3 LYS 5 3HG LYS 5 0.358 -0.029 -1.558 45 HD2 LYS 5 2HD LYS 5 1.227 -1.908 -0.667 46 HD3 LYS 5 3HD LYS 5 2.890 -1.416 -0.997 47 HE2 LYS 5 2HE LYS 5 3.136 -0.420 1.023 48 HE3 LYS 5 3HE LYS 5 1.458 0.120 1.080 49 HZ1 LYS 5 3HZ LYS 5 2.238 -2.715 1.444 50 HZ2 LYS 5 1HZ LYS 5 0.749 -1.992 1.795 51 HZ3 LYS 5 2HZ LYS 5 2.107 -1.631 2.737 52 H ARG 6 H ARG 6 5.574 0.506 -3.349 53 HA ARG 6 HA ARG 6 6.216 0.128 -0.511 54 HB2 ARG 6 2HB ARG 6 8.364 -0.896 -1.678 55 HB3 ARG 6 3HB ARG 6 6.879 -1.823 -1.508 56 HG2 ARG 6 2HG ARG 6 6.324 -1.583 -3.753 57 HG3 ARG 6 3HG ARG 6 7.411 -0.210 -3.971 58 HD2 ARG 6 2HD ARG 6 9.101 -1.548 -4.525 59 HD3 ARG 6 3HD ARG 6 8.861 -2.538 -3.086 60 HE ARG 6 HE ARG 6 6.888 -3.202 -4.954 61 HH11 ARG 6 1HH1 ARG 6 10.336 -3.442 -4.537 62 HH12 ARG 6 2HH1 ARG 6 10.483 -4.876 -5.497 63 HH21 ARG 6 1HH2 ARG 6 7.069 -5.090 -6.221 64 HH22 ARG 6 2HH2 ARG 6 8.625 -5.812 -6.456 65 H LYS 7 H LYS 7 8.763 0.569 -2.790 66 HA LYS 7 HA LYS 7 9.275 3.269 -1.726 67 HB2 LYS 7 2HB LYS 7 11.535 1.462 -2.484 68 HB3 LYS 7 3HB LYS 7 11.515 2.805 -1.349 69 HG2 LYS 7 2HG LYS 7 11.523 1.193 0.201 70 HG3 LYS 7 3HG LYS 7 9.796 1.092 -0.146 71 HD2 LYS 7 2HD LYS 7 10.709 -1.125 -0.200 72 HD3 LYS 7 3HD LYS 7 10.308 -0.650 -1.853 73 HE2 LYS 7 2HE LYS 7 12.467 -0.650 -2.512 74 HE3 LYS 7 3HE LYS 7 13.046 -0.011 -0.975 75 HZ1 LYS 7 3HZ LYS 7 12.581 -2.795 -1.772 76 HZ2 LYS 7 1HZ LYS 7 12.391 -2.379 -0.143 77 HZ3 LYS 7 2HZ LYS 7 13.874 -2.123 -0.914 78 H ARG 8 H ARG 8 8.547 1.540 -4.411 79 HA ARG 8 HA ARG 8 10.298 2.438 -6.388 80 HB2 ARG 8 2HB ARG 8 7.856 1.015 -6.280 81 HB3 ARG 8 3HB ARG 8 7.622 2.334 -7.420 82 HG2 ARG 8 2HG ARG 8 8.376 0.372 -8.589 83 HG3 ARG 8 3HG ARG 8 9.636 1.607 -8.635 84 HD2 ARG 8 2HD ARG 8 10.240 0.209 -6.351 85 HD3 ARG 8 3HD ARG 8 9.654 -1.054 -7.433 86 HE ARG 8 HE ARG 8 11.469 0.552 -8.837 87 HH11 ARG 8 1HH1 ARG 8 11.414 -1.729 -6.207 88 HH12 ARG 8 2HH1 ARG 8 13.039 -2.269 -6.470 89 HH21 ARG 8 1HH2 ARG 8 13.609 -0.152 -9.193 90 HH22 ARG 8 2HH2 ARG 8 14.287 -1.371 -8.168 91 H PHE 9 H PHE 9 7.969 4.152 -4.567 92 HA PHE 9 HA PHE 9 7.539 6.256 -6.483 93 HB2 PHE 9 2HB PHE 9 6.171 7.276 -4.842 94 HB3 PHE 9 3HB PHE 9 5.915 5.545 -4.650 95 HD1 PHE 9 HD2 PHE 9 7.510 4.390 -2.899 96 HD2 PHE 9 HD1 PHE 9 6.572 8.541 -2.971 97 HE1 PHE 9 HE2 PHE 9 8.114 4.564 -0.520 98 HE2 PHE 9 HE1 PHE 9 7.175 8.722 -0.592 99 HZ PHE 9 HZ PHE 9 7.946 6.732 0.637 100 H ILE 10 H ILE 10 10.242 5.897 -6.204 101 HA ILE 10 HA ILE 10 11.484 7.536 -4.281 102 HB ILE 10 HB ILE 10 12.518 6.854 -7.035 103 HG12 ILE 10 2HG1 ILE 10 11.822 4.876 -5.648 104 HG13 ILE 10 3HG1 ILE 10 13.532 4.907 -6.063 105 HG21 ILE 10 1HG2 ILE 10 13.960 8.476 -6.269 106 HG22 ILE 10 2HG2 ILE 10 13.747 8.019 -4.580 107 HG23 ILE 10 3HG2 ILE 10 14.726 7.014 -5.648 108 HD11 ILE 10 3HD1 ILE 10 12.415 5.840 -3.432 109 HD12 ILE 10 1HD1 ILE 10 13.061 4.226 -3.729 110 HD13 ILE 10 2HD1 ILE 10 14.113 5.636 -3.863 111 H PHE 11 H PHE 11 9.547 8.361 -6.891 112 HA PHE 11 HA PHE 11 10.846 10.895 -7.456 113 HB2 PHE 11 2HB PHE 11 8.557 11.122 -8.802 114 HB3 PHE 11 3HB PHE 11 9.908 10.176 -9.417 115 HD1 PHE 11 HD2 PHE 11 9.898 7.687 -9.080 116 HD2 PHE 11 HD1 PHE 11 6.491 10.125 -8.325 117 HE1 PHE 11 HE2 PHE 11 8.454 5.698 -9.189 118 HE2 PHE 11 HE1 PHE 11 5.042 8.140 -8.433 119 HZ PHE 11 HZ PHE 11 6.023 5.923 -8.867 120 H ILE 12 H ILE 12 7.859 9.732 -5.946 121 HA ILE 12 HA ILE 12 7.103 12.422 -5.163 122 HB ILE 12 HB ILE 12 5.798 9.766 -4.559 123 HG12 ILE 12 2HG1 ILE 12 5.327 9.997 -6.783 124 HG13 ILE 12 3HG1 ILE 12 4.054 11.034 -6.148 125 HG21 ILE 12 1HG2 ILE 12 4.974 11.049 -2.858 126 HG22 ILE 12 2HG2 ILE 12 5.168 12.556 -3.752 127 HG23 ILE 12 3HG2 ILE 12 3.830 11.471 -4.132 128 HD11 ILE 12 3HD1 ILE 12 5.676 12.955 -6.443 129 HD12 ILE 12 1HD1 ILE 12 6.664 11.837 -7.383 130 HD13 ILE 12 2HD1 ILE 12 5.027 12.227 -7.912 Start of MODEL 12 1 H1 TYR 1 H TYR 1 -2.374 -2.781 -2.549 2 HA TYR 1 HA TYR 1 -2.125 0.144 -2.583 3 HB2 TYR 1 2HB TYR 1 -0.155 0.191 -1.479 4 HB3 TYR 1 3HB TYR 1 -0.666 -1.369 -0.845 5 HD1 TYR 1 HD1 TYR 1 1.557 0.338 -3.206 6 HD2 TYR 1 HD2 TYR 1 0.352 -3.425 -1.629 7 HE1 TYR 1 HE1 TYR 1 3.552 -0.707 -4.194 8 HE2 TYR 1 HE2 TYR 1 2.345 -4.481 -2.612 9 HH TYR 1 HH TYR 1 3.921 -4.023 -4.513 10 H VAL 2 H VAL 2 -0.346 0.844 -4.111 11 HA VAL 2 HA VAL 2 -0.847 -0.203 -6.676 12 HB VAL 2 HB VAL 2 -0.044 2.146 -6.077 13 HG11 VAL 2 1HG1 VAL 2 1.938 2.347 -5.097 14 HG12 VAL 2 2HG1 VAL 2 2.265 0.627 -5.315 15 HG13 VAL 2 3HG1 VAL 2 2.692 1.775 -6.585 16 HG21 VAL 2 3HG2 VAL 2 1.695 1.665 -8.251 17 HG22 VAL 2 1HG2 VAL 2 0.349 0.536 -8.398 18 HG23 VAL 2 2HG2 VAL 2 0.039 2.269 -8.293 19 H LEU 3 H LEU 3 1.980 0.000 -7.590 20 HA LEU 3 HA LEU 3 3.033 -2.549 -6.573 21 HB2 LEU 3 2HB LEU 3 3.457 -3.373 -8.742 22 HB3 LEU 3 3HB LEU 3 1.784 -2.817 -8.735 23 HG LEU 3 HG LEU 3 2.796 -2.222 -10.826 24 HD11 LEU 3 1HD1 LEU 3 1.275 -0.595 -9.593 25 HD12 LEU 3 2HD1 LEU 3 2.257 0.058 -10.904 26 HD13 LEU 3 3HD1 LEU 3 2.739 0.319 -9.228 27 HD21 LEU 3 3HD2 LEU 3 4.767 -0.351 -9.719 28 HD22 LEU 3 1HD2 LEU 3 4.882 -1.441 -11.101 29 HD23 LEU 3 2HD2 LEU 3 5.141 -2.057 -9.468 30 H PHE 4 H PHE 4 3.557 0.664 -7.561 31 HA PHE 4 HA PHE 4 6.475 0.268 -7.498 32 HB2 PHE 4 2HB PHE 4 6.481 2.592 -8.608 33 HB3 PHE 4 3HB PHE 4 5.988 1.217 -9.589 34 HD1 PHE 4 HD2 PHE 4 4.338 3.577 -7.209 35 HD2 PHE 4 HD1 PHE 4 4.240 1.640 -10.997 36 HE1 PHE 4 HE2 PHE 4 2.222 4.717 -7.733 37 HE2 PHE 4 HE1 PHE 4 2.124 2.778 -11.528 38 HZ PHE 4 HZ PHE 4 1.112 4.318 -9.894 39 H LYS 5 H LYS 5 4.640 0.548 -5.207 40 HA LYS 5 HA LYS 5 5.285 3.181 -4.137 41 HB2 LYS 5 2HB LYS 5 3.219 1.252 -3.700 42 HB3 LYS 5 3HB LYS 5 4.043 1.547 -2.175 43 HG2 LYS 5 2HG LYS 5 3.575 3.880 -2.287 44 HG3 LYS 5 3HG LYS 5 2.969 3.735 -3.938 45 HD2 LYS 5 2HD LYS 5 1.026 2.629 -3.250 46 HD3 LYS 5 3HD LYS 5 1.711 2.215 -1.677 47 HE2 LYS 5 2HE LYS 5 0.717 4.017 -0.839 48 HE3 LYS 5 3HE LYS 5 1.787 5.010 -1.827 49 HZ1 LYS 5 3HZ LYS 5 0.054 5.655 -3.019 50 HZ2 LYS 5 1HZ LYS 5 -0.978 4.746 -2.033 51 HZ3 LYS 5 2HZ LYS 5 -0.315 4.055 -3.428 52 H ARG 6 H ARG 6 6.764 0.222 -4.321 53 HA ARG 6 HA ARG 6 7.833 -0.053 -1.707 54 HB2 ARG 6 2HB ARG 6 8.802 -1.087 -4.376 55 HB3 ARG 6 3HB ARG 6 9.507 -1.542 -2.830 56 HG2 ARG 6 2HG ARG 6 6.766 -1.987 -2.549 57 HG3 ARG 6 3HG ARG 6 7.182 -2.581 -4.158 58 HD2 ARG 6 2HD ARG 6 8.646 -3.313 -1.626 59 HD3 ARG 6 3HD ARG 6 7.388 -4.296 -2.374 60 HE ARG 6 HE ARG 6 10.119 -4.005 -3.247 61 HH11 ARG 6 1HH1 ARG 6 6.876 -4.881 -4.163 62 HH12 ARG 6 2HH1 ARG 6 7.380 -5.872 -5.492 63 HH21 ARG 6 1HH2 ARG 6 10.794 -5.307 -4.993 64 HH22 ARG 6 2HH2 ARG 6 9.609 -6.115 -5.962 65 H LYS 7 H LYS 7 9.953 0.384 -4.484 66 HA LYS 7 HA LYS 7 11.269 2.603 -3.059 67 HB2 LYS 7 2HB LYS 7 12.701 0.628 -4.831 68 HB3 LYS 7 3HB LYS 7 13.406 1.798 -3.723 69 HG2 LYS 7 2HG LYS 7 13.576 0.108 -2.290 70 HG3 LYS 7 3HG LYS 7 11.832 0.266 -2.074 71 HD2 LYS 7 2HD LYS 7 12.221 -2.016 -2.544 72 HD3 LYS 7 3HD LYS 7 11.584 -1.319 -4.036 73 HE2 LYS 7 2HE LYS 7 13.474 -1.734 -5.162 74 HE3 LYS 7 3HE LYS 7 14.491 -1.170 -3.837 75 HZ1 LYS 7 3HZ LYS 7 14.032 -3.793 -4.631 76 HZ2 LYS 7 1HZ LYS 7 13.291 -3.613 -3.121 77 HZ3 LYS 7 2HZ LYS 7 14.934 -3.257 -3.304 78 H ARG 8 H ARG 8 9.605 1.697 -5.789 79 HA ARG 8 HA ARG 8 10.986 3.158 -7.795 80 HB2 ARG 8 2HB ARG 8 8.131 2.197 -7.590 81 HB3 ARG 8 3HB ARG 8 8.773 3.010 -9.011 82 HG2 ARG 8 2HG ARG 8 8.949 0.767 -9.552 83 HG3 ARG 8 3HG ARG 8 10.572 1.172 -8.989 84 HD2 ARG 8 2HD ARG 8 10.253 0.090 -6.937 85 HD3 ARG 8 3HD ARG 8 8.500 0.062 -7.126 86 HE ARG 8 HE ARG 8 9.330 -1.461 -9.182 87 HH11 ARG 8 1HH1 ARG 8 10.092 -1.478 -5.785 88 HH12 ARG 8 2HH1 ARG 8 10.382 -3.185 -5.726 89 HH21 ARG 8 1HH2 ARG 8 9.709 -3.709 -9.117 90 HH22 ARG 8 2HH2 ARG 8 10.165 -4.453 -7.622 91 H PHE 9 H PHE 9 8.512 3.975 -5.448 92 HA PHE 9 HA PHE 9 8.598 6.761 -6.405 93 HB2 PHE 9 2HB PHE 9 6.347 5.118 -5.297 94 HB3 PHE 9 3HB PHE 9 6.331 6.868 -5.107 95 HD1 PHE 9 HD2 PHE 9 7.203 4.522 -7.879 96 HD2 PHE 9 HD1 PHE 9 4.946 7.899 -6.605 97 HE1 PHE 9 HE2 PHE 9 6.277 4.755 -10.147 98 HE2 PHE 9 HE1 PHE 9 4.015 8.136 -8.871 99 HZ PHE 9 HZ PHE 9 4.681 6.563 -10.645 100 H ILE 10 H ILE 10 10.621 6.336 -4.871 101 HA ILE 10 HA ILE 10 10.504 6.160 -2.154 102 HB ILE 10 HB ILE 10 12.251 8.010 -3.780 103 HG12 ILE 10 2HG1 ILE 10 13.514 5.698 -2.572 104 HG13 ILE 10 3HG1 ILE 10 12.170 5.217 -3.603 105 HG21 ILE 10 1HG2 ILE 10 13.762 7.854 -1.752 106 HG22 ILE 10 2HG2 ILE 10 12.323 8.859 -1.582 107 HG23 ILE 10 3HG2 ILE 10 12.359 7.244 -0.876 108 HD11 ILE 10 3HD1 ILE 10 14.652 6.719 -4.343 109 HD12 ILE 10 1HD1 ILE 10 14.039 5.200 -4.996 110 HD13 ILE 10 2HD1 ILE 10 13.220 6.717 -5.373 111 H PHE 11 H PHE 11 10.170 9.170 -4.032 112 HA PHE 11 HA PHE 11 9.787 10.952 -1.966 113 HB2 PHE 11 2HB PHE 11 8.319 12.211 -3.656 114 HB3 PHE 11 3HB PHE 11 9.981 11.870 -4.124 115 HD1 PHE 11 HD2 PHE 11 10.465 10.095 -5.761 116 HD2 PHE 11 HD1 PHE 11 6.481 11.257 -4.819 117 HE1 PHE 11 HE2 PHE 11 9.662 8.983 -7.803 118 HE2 PHE 11 HE1 PHE 11 5.670 10.146 -6.859 119 HZ PHE 11 HZ PHE 11 7.261 9.008 -8.355 120 H ILE 12 H ILE 12 7.306 9.043 -3.653 121 HA ILE 12 HA ILE 12 5.671 9.079 -1.248 122 HB ILE 12 HB ILE 12 4.782 10.275 -3.861 123 HG12 ILE 12 2HG1 ILE 12 3.755 11.797 -1.853 124 HG13 ILE 12 3HG1 ILE 12 5.222 11.194 -1.089 125 HG21 ILE 12 1HG2 ILE 12 2.990 8.864 -3.503 126 HG22 ILE 12 2HG2 ILE 12 3.144 8.943 -1.749 127 HG23 ILE 12 3HG2 ILE 12 2.488 10.317 -2.639 128 HD11 ILE 12 3HD1 ILE 12 6.514 12.041 -3.021 129 HD12 ILE 12 1HD1 ILE 12 5.028 12.747 -3.656 130 HD13 ILE 12 2HD1 ILE 12 5.681 13.304 -2.115 Start of MODEL 13 1 H1 TYR 1 H TYR 1 -2.337 -2.813 -2.397 2 HA TYR 1 HA TYR 1 -2.165 0.123 -2.570 3 HB2 TYR 1 2HB TYR 1 -0.185 0.175 -1.485 4 HB3 TYR 1 3HB TYR 1 -0.683 -1.389 -0.849 5 HD1 TYR 1 HD2 TYR 1 1.508 0.332 -3.230 6 HD2 TYR 1 HD1 TYR 1 0.336 -3.439 -1.646 7 HE1 TYR 1 HE2 TYR 1 3.496 -0.705 -4.241 8 HE2 TYR 1 HE1 TYR 1 2.322 -4.486 -2.652 9 HH TYR 1 HH TYR 1 3.888 -3.700 -4.875 10 H VAL 2 H VAL 2 -0.405 0.829 -4.117 11 HA VAL 2 HA VAL 2 -0.930 -0.220 -6.677 12 HB VAL 2 HB VAL 2 -0.130 2.133 -6.087 13 HG11 VAL 2 1HG1 VAL 2 1.861 2.342 -5.127 14 HG12 VAL 2 2HG1 VAL 2 2.193 0.623 -5.349 15 HG13 VAL 2 3HG1 VAL 2 2.602 1.773 -6.622 16 HG21 VAL 2 3HG2 VAL 2 1.589 1.658 -8.279 17 HG22 VAL 2 1HG2 VAL 2 0.245 0.524 -8.412 18 HG23 VAL 2 2HG2 VAL 2 -0.070 2.255 -8.304 19 H LEU 3 H LEU 3 1.888 -0.006 -7.620 20 HA LEU 3 HA LEU 3 2.961 -2.550 -6.614 21 HB2 LEU 3 2HB LEU 3 3.365 -3.372 -8.787 22 HB3 LEU 3 3HB LEU 3 1.691 -2.823 -8.763 23 HG LEU 3 HG LEU 3 2.679 -2.224 -10.864 24 HD11 LEU 3 1HD1 LEU 3 2.627 0.316 -9.266 25 HD12 LEU 3 2HD1 LEU 3 1.164 -0.603 -9.617 26 HD13 LEU 3 3HD1 LEU 3 2.131 0.054 -10.938 27 HD21 LEU 3 3HD2 LEU 3 5.037 -2.050 -9.532 28 HD22 LEU 3 1HD2 LEU 3 4.654 -0.346 -9.777 29 HD23 LEU 3 2HD2 LEU 3 4.760 -1.433 -11.162 30 H PHE 4 H PHE 4 3.462 0.665 -7.606 31 HA PHE 4 HA PHE 4 6.382 0.281 -7.574 32 HB2 PHE 4 2HB PHE 4 6.367 2.606 -8.684 33 HB3 PHE 4 3HB PHE 4 5.869 1.228 -9.660 34 HD1 PHE 4 HD2 PHE 4 4.235 3.582 -7.262 35 HD2 PHE 4 HD1 PHE 4 4.105 1.644 -11.050 36 HE1 PHE 4 HE2 PHE 4 2.109 4.714 -7.764 37 HE2 PHE 4 HE1 PHE 4 1.979 2.774 -11.558 38 HZ PHE 4 HZ PHE 4 0.978 4.310 -9.914 39 H LYS 5 H LYS 5 4.572 0.552 -5.263 40 HA LYS 5 HA LYS 5 5.220 3.188 -4.200 41 HB2 LYS 5 2HB LYS 5 3.162 1.252 -3.743 42 HB3 LYS 5 3HB LYS 5 3.998 1.555 -2.226 43 HG2 LYS 5 2HG LYS 5 3.566 3.924 -2.415 44 HG3 LYS 5 3HG LYS 5 2.820 3.686 -3.998 45 HD2 LYS 5 2HD LYS 5 0.968 2.578 -3.082 46 HD3 LYS 5 3HD LYS 5 1.792 2.282 -1.550 47 HE2 LYS 5 2HE LYS 5 0.583 4.048 -0.850 48 HE3 LYS 5 3HE LYS 5 1.858 4.981 -1.632 49 HZ1 LYS 5 3HZ LYS 5 0.516 5.552 -3.350 50 HZ2 LYS 5 1HZ LYS 5 -0.680 5.363 -2.169 51 HZ3 LYS 5 2HZ LYS 5 -0.393 4.127 -3.286 52 H ARG 6 H ARG 6 6.698 0.228 -4.395 53 HA ARG 6 HA ARG 6 7.794 -0.041 -1.792 54 HB2 ARG 6 2HB ARG 6 8.735 -1.081 -4.468 55 HB3 ARG 6 3HB ARG 6 9.456 -1.532 -2.929 56 HG2 ARG 6 2HG ARG 6 6.706 -1.969 -2.637 57 HG3 ARG 6 3HG ARG 6 7.136 -2.592 -4.232 58 HD2 ARG 6 2HD ARG 6 8.842 -3.245 -1.868 59 HD3 ARG 6 3HD ARG 6 7.335 -4.122 -2.127 60 HE ARG 6 HE ARG 6 8.933 -4.059 -4.482 61 HH11 ARG 6 1HH1 ARG 6 8.574 -5.627 -1.394 62 HH12 ARG 6 2HH1 ARG 6 9.340 -7.095 -1.904 63 HH21 ARG 6 1HH2 ARG 6 9.944 -5.987 -5.165 64 HH22 ARG 6 2HH2 ARG 6 10.119 -7.298 -4.048 65 H LYS 7 H LYS 7 9.884 0.391 -4.592 66 HA LYS 7 HA LYS 7 11.215 2.613 -3.185 67 HB2 LYS 7 2HB LYS 7 12.575 0.549 -4.922 68 HB3 LYS 7 3HB LYS 7 13.351 1.814 -3.979 69 HG2 LYS 7 2HG LYS 7 13.647 0.195 -2.467 70 HG3 LYS 7 3HG LYS 7 11.960 0.506 -2.052 71 HD2 LYS 7 2HD LYS 7 11.994 -1.795 -2.341 72 HD3 LYS 7 3HD LYS 7 11.441 -1.220 -3.916 73 HE2 LYS 7 2HE LYS 7 13.158 -2.230 -4.894 74 HE3 LYS 7 3HE LYS 7 14.282 -1.268 -3.936 75 HZ1 LYS 7 3HZ LYS 7 14.150 -2.919 -2.181 76 HZ2 LYS 7 1HZ LYS 7 14.649 -3.637 -3.630 77 HZ3 LYS 7 2HZ LYS 7 13.059 -3.839 -3.089 78 H ARG 8 H ARG 8 9.522 1.702 -5.895 79 HA ARG 8 HA ARG 8 10.881 3.155 -7.920 80 HB2 ARG 8 2HB ARG 8 8.025 2.207 -7.679 81 HB3 ARG 8 3HB ARG 8 8.656 3.010 -9.111 82 HG2 ARG 8 2HG ARG 8 8.820 0.768 -9.648 83 HG3 ARG 8 3HG ARG 8 10.448 1.161 -9.090 84 HD2 ARG 8 2HD ARG 8 10.170 0.036 -7.082 85 HD3 ARG 8 3HD ARG 8 8.411 0.118 -7.166 86 HE ARG 8 HE ARG 8 8.428 -1.852 -8.312 87 HH11 ARG 8 1HH1 ARG 8 11.590 -0.411 -8.529 88 HH12 ARG 8 2HH1 ARG 8 12.298 -1.771 -9.335 89 HH21 ARG 8 1HH2 ARG 8 9.349 -3.649 -9.374 90 HH22 ARG 8 2HH2 ARG 8 11.023 -3.612 -9.816 91 H PHE 9 H PHE 9 8.566 4.014 -5.462 92 HA PHE 9 HA PHE 9 8.570 6.780 -6.479 93 HB2 PHE 9 2HB PHE 9 6.388 5.131 -5.266 94 HB3 PHE 9 3HB PHE 9 6.381 6.873 -5.014 95 HD1 PHE 9 HD1 PHE 9 7.090 4.624 -7.911 96 HD2 PHE 9 HD2 PHE 9 4.918 7.956 -6.395 97 HE1 PHE 9 HE1 PHE 9 6.035 4.934 -10.112 98 HE2 PHE 9 HE2 PHE 9 3.859 8.271 -8.594 99 HZ PHE 9 HZ PHE 9 4.416 6.758 -10.456 100 H ILE 10 H ILE 10 10.677 6.408 -5.066 101 HA ILE 10 HA ILE 10 10.731 6.261 -2.346 102 HB ILE 10 HB ILE 10 12.344 8.121 -4.093 103 HG12 ILE 10 2HG1 ILE 10 12.584 5.736 -4.632 104 HG13 ILE 10 3HG1 ILE 10 14.063 6.379 -3.927 105 HG21 ILE 10 1HG2 ILE 10 13.954 7.726 -2.015 106 HG22 ILE 10 2HG2 ILE 10 12.802 9.059 -2.075 107 HG23 ILE 10 3HG2 ILE 10 12.408 7.593 -1.178 108 HD11 ILE 10 3HD1 ILE 10 14.023 4.773 -2.416 109 HD12 ILE 10 1HD1 ILE 10 12.476 5.371 -1.816 110 HD13 ILE 10 2HD1 ILE 10 12.517 4.157 -3.096 111 H PHE 11 H PHE 11 10.235 9.246 -4.228 112 HA PHE 11 HA PHE 11 9.951 11.042 -2.159 113 HB2 PHE 11 2HB PHE 11 8.364 12.263 -3.767 114 HB3 PHE 11 3HB PHE 11 9.999 11.941 -4.334 115 HD1 PHE 11 HD2 PHE 11 10.406 10.152 -5.979 116 HD2 PHE 11 HD1 PHE 11 6.472 11.275 -4.807 117 HE1 PHE 11 HE2 PHE 11 9.494 9.008 -7.957 118 HE2 PHE 11 HE1 PHE 11 5.553 10.131 -6.782 119 HZ PHE 11 HZ PHE 11 7.065 8.997 -8.361 120 H ILE 12 H ILE 12 7.401 9.081 -3.675 121 HA ILE 12 HA ILE 12 5.916 9.114 -1.174 122 HB ILE 12 HB ILE 12 4.850 10.275 -3.736 123 HG12 ILE 12 2HG1 ILE 12 3.928 11.801 -1.681 124 HG13 ILE 12 3HG1 ILE 12 5.446 11.224 -1.003 125 HG21 ILE 12 1HG2 ILE 12 3.140 8.778 -3.211 126 HG22 ILE 12 2HG2 ILE 12 3.341 9.011 -1.475 127 HG23 ILE 12 3HG2 ILE 12 2.624 10.287 -2.459 128 HD11 ILE 12 3HD1 ILE 12 5.071 12.754 -3.564 129 HD12 ILE 12 1HD1 ILE 12 5.812 13.331 -2.071 130 HD13 ILE 12 2HD1 ILE 12 6.604 12.072 -3.020 Start of MODEL 14 1 H1 TYR 1 H TYR 1 -1.634 -4.717 -5.180 2 HA TYR 1 HA TYR 1 -1.609 -2.207 -3.660 3 HB2 TYR 1 2HB TYR 1 0.600 -2.302 -3.111 4 HB3 TYR 1 3HB TYR 1 0.294 -4.035 -3.164 5 HD1 TYR 1 HD2 TYR 1 1.711 -1.186 -5.041 6 HD2 TYR 1 HD1 TYR 1 1.328 -5.417 -4.802 7 HE1 TYR 1 HE2 TYR 1 3.459 -1.435 -6.753 8 HE2 TYR 1 HE1 TYR 1 3.075 -5.678 -6.513 9 HH TYR 1 HH TYR 1 4.100 -4.410 -8.306 10 H VAL 2 H VAL 2 -0.472 -0.452 -4.815 11 HA VAL 2 HA VAL 2 -1.352 -0.282 -7.504 12 HB VAL 2 HB VAL 2 -1.189 1.697 -6.066 13 HG11 VAL 2 1HG1 VAL 2 0.607 1.958 -4.783 14 HG12 VAL 2 2HG1 VAL 2 1.498 0.733 -5.690 15 HG13 VAL 2 3HG1 VAL 2 1.508 2.413 -6.229 16 HG21 VAL 2 3HG2 VAL 2 -0.194 1.475 -8.753 17 HG22 VAL 2 1HG2 VAL 2 -1.151 2.761 -8.017 18 HG23 VAL 2 2HG2 VAL 2 0.609 2.802 -7.913 19 H LEU 3 H LEU 3 1.527 1.234 -7.667 20 HA LEU 3 HA LEU 3 2.907 -1.079 -8.855 21 HB2 LEU 3 2HB LEU 3 3.742 0.396 -10.624 22 HB3 LEU 3 3HB LEU 3 1.985 0.257 -10.640 23 HG LEU 3 HG LEU 3 2.877 2.554 -9.107 24 HD11 LEU 3 1HD1 LEU 3 3.708 3.873 -10.962 25 HD12 LEU 3 2HD1 LEU 3 3.605 2.476 -12.032 26 HD13 LEU 3 3HD1 LEU 3 4.751 2.477 -10.692 27 HD21 LEU 3 3HD2 LEU 3 1.364 2.996 -11.556 28 HD22 LEU 3 1HD2 LEU 3 0.950 3.371 -9.883 29 HD23 LEU 3 2HD2 LEU 3 0.659 1.753 -10.522 30 H PHE 4 H PHE 4 3.130 1.991 -7.194 31 HA PHE 4 HA PHE 4 5.949 1.391 -6.579 32 HB2 PHE 4 2HB PHE 4 6.120 3.935 -6.222 33 HB3 PHE 4 3HB PHE 4 6.055 3.345 -7.880 34 HD1 PHE 4 HD2 PHE 4 3.661 4.360 -5.198 35 HD2 PHE 4 HD1 PHE 4 4.719 4.517 -9.318 36 HE1 PHE 4 HE2 PHE 4 1.729 5.819 -5.635 37 HE2 PHE 4 HE1 PHE 4 2.789 5.976 -9.762 38 HZ PHE 4 HZ PHE 4 1.290 6.628 -7.920 39 H LYS 5 H LYS 5 3.512 0.580 -5.161 40 HA LYS 5 HA LYS 5 3.098 2.168 -2.867 41 HB2 LYS 5 2HB LYS 5 1.497 0.465 -3.561 42 HB3 LYS 5 3HB LYS 5 2.687 -0.800 -3.280 43 HG2 LYS 5 2HG LYS 5 2.180 0.909 -0.959 44 HG3 LYS 5 3HG LYS 5 0.783 -0.020 -1.506 45 HD2 LYS 5 2HD LYS 5 1.798 -2.047 -1.082 46 HD3 LYS 5 3HD LYS 5 3.426 -1.380 -1.227 47 HE2 LYS 5 2HE LYS 5 3.009 -1.898 1.079 48 HE3 LYS 5 3HE LYS 5 3.050 -0.145 0.893 49 HZ1 LYS 5 3HZ LYS 5 0.660 -1.868 1.220 50 HZ2 LYS 5 1HZ LYS 5 0.571 -0.242 0.763 51 HZ3 LYS 5 2HZ LYS 5 1.216 -0.663 2.269 52 H ARG 6 H ARG 6 5.729 0.268 -3.798 53 HA ARG 6 HA ARG 6 6.596 -0.317 -1.081 54 HB2 ARG 6 2HB ARG 6 6.956 -2.010 -2.813 55 HB3 ARG 6 3HB ARG 6 7.918 -0.869 -3.743 56 HG2 ARG 6 2HG ARG 6 9.750 -1.384 -2.608 57 HG3 ARG 6 3HG ARG 6 8.940 -1.114 -1.064 58 HD2 ARG 6 2HD ARG 6 9.844 -3.434 -1.422 59 HD3 ARG 6 3HD ARG 6 8.135 -3.343 -0.996 60 HE ARG 6 HE ARG 6 7.648 -4.313 -2.999 61 HH11 ARG 6 1HH1 ARG 6 10.824 -2.901 -3.196 62 HH12 ARG 6 2HH1 ARG 6 11.145 -3.524 -4.781 63 HH21 ARG 6 1HH2 ARG 6 8.059 -5.139 -5.085 64 HH22 ARG 6 2HH2 ARG 6 9.571 -4.796 -5.854 65 H LYS 7 H LYS 7 9.017 0.468 -3.393 66 HA LYS 7 HA LYS 7 9.525 3.035 -2.040 67 HB2 LYS 7 2HB LYS 7 11.650 1.086 -2.944 68 HB3 LYS 7 3HB LYS 7 11.901 2.591 -2.068 69 HG2 LYS 7 2HG LYS 7 11.067 1.718 -0.081 70 HG3 LYS 7 3HG LYS 7 10.242 0.390 -0.900 71 HD2 LYS 7 2HD LYS 7 13.239 0.703 -0.774 72 HD3 LYS 7 3HD LYS 7 12.299 -0.289 0.343 73 HE2 LYS 7 2HE LYS 7 11.668 -0.844 -2.438 74 HE3 LYS 7 3HE LYS 7 13.374 -1.097 -2.075 75 HZ1 LYS 7 3HZ LYS 7 12.007 -3.092 -1.724 76 HZ2 LYS 7 1HZ LYS 7 11.131 -2.276 -0.528 77 HZ3 LYS 7 2HZ LYS 7 12.779 -2.585 -0.306 78 H ARG 8 H ARG 8 8.834 1.530 -4.897 79 HA ARG 8 HA ARG 8 10.505 2.724 -6.781 80 HB2 ARG 8 2HB ARG 8 7.864 1.437 -6.788 81 HB3 ARG 8 3HB ARG 8 8.097 2.606 -8.081 82 HG2 ARG 8 2HG ARG 8 8.703 0.408 -8.848 83 HG3 ARG 8 3HG ARG 8 10.145 1.420 -8.753 84 HD2 ARG 8 2HD ARG 8 10.808 0.384 -6.693 85 HD3 ARG 8 3HD ARG 8 9.287 -0.504 -6.599 86 HE ARG 8 HE ARG 8 10.312 -1.358 -8.933 87 HH11 ARG 8 1HH1 ARG 8 11.662 -1.084 -5.736 88 HH12 ARG 8 2HH1 ARG 8 12.744 -2.422 -5.937 89 HH21 ARG 8 1HH2 ARG 8 11.732 -3.121 -9.210 90 HH22 ARG 8 2HH2 ARG 8 12.784 -3.580 -7.914 91 H PHE 9 H PHE 9 8.046 4.094 -4.817 92 HA PHE 9 HA PHE 9 7.574 6.385 -6.506 93 HB2 PHE 9 2HB PHE 9 6.029 7.096 -4.879 94 HB3 PHE 9 3HB PHE 9 5.914 5.340 -4.849 95 HD1 PHE 9 HD2 PHE 9 7.665 4.227 -3.138 96 HD2 PHE 9 HD1 PHE 9 6.064 8.160 -2.857 97 HE1 PHE 9 HE2 PHE 9 8.126 4.238 -0.722 98 HE2 PHE 9 HE1 PHE 9 6.523 8.178 -0.440 99 HZ PHE 9 HZ PHE 9 7.554 6.215 0.631 100 H ILE 10 H ILE 10 10.260 6.182 -6.141 101 HA ILE 10 HA ILE 10 11.294 7.621 -3.943 102 HB ILE 10 HB ILE 10 12.548 7.421 -6.679 103 HG12 ILE 10 2HG1 ILE 10 12.728 5.484 -4.361 104 HG13 ILE 10 3HG1 ILE 10 11.873 5.193 -5.872 105 HG21 ILE 10 1HG2 ILE 10 14.437 7.245 -4.600 106 HG22 ILE 10 2HG2 ILE 10 14.208 8.561 -5.750 107 HG23 ILE 10 3HG2 ILE 10 13.366 8.587 -4.201 108 HD11 ILE 10 3HD1 ILE 10 14.690 4.920 -5.237 109 HD12 ILE 10 1HD1 ILE 10 13.749 4.224 -6.556 110 HD13 ILE 10 2HD1 ILE 10 14.405 5.854 -6.705 111 H PHE 11 H PHE 11 9.404 8.664 -6.484 112 HA PHE 11 HA PHE 11 10.580 11.319 -6.669 113 HB2 PHE 11 2HB PHE 11 8.359 11.577 -8.123 114 HB3 PHE 11 3HB PHE 11 9.808 10.810 -8.763 115 HD1 PHE 11 HD2 PHE 11 9.961 8.299 -8.731 116 HD2 PHE 11 HD1 PHE 11 6.346 10.399 -7.933 117 HE1 PHE 11 HE2 PHE 11 8.674 6.252 -9.189 118 HE2 PHE 11 HE1 PHE 11 5.054 8.355 -8.389 119 HZ PHE 11 HZ PHE 11 6.218 6.279 -9.019 120 H ILE 12 H ILE 12 7.731 9.729 -5.348 121 HA ILE 12 HA ILE 12 7.020 12.258 -4.010 122 HB ILE 12 HB ILE 12 4.694 11.340 -3.867 123 HG12 ILE 12 2HG1 ILE 12 6.023 9.132 -5.319 124 HG13 ILE 12 3HG1 ILE 12 4.634 9.095 -4.238 125 HG21 ILE 12 1HG2 ILE 12 4.073 12.039 -6.058 126 HG22 ILE 12 2HG2 ILE 12 5.477 12.991 -5.580 127 HG23 ILE 12 3HG2 ILE 12 5.666 11.642 -6.700 128 HD11 ILE 12 3HD1 ILE 12 3.245 10.012 -6.059 129 HD12 ILE 12 1HD1 ILE 12 4.642 9.914 -7.131 130 HD13 ILE 12 2HD1 ILE 12 3.954 8.443 -6.442 Start of MODEL 15 1 H1 TYR 1 H TYR 1 0.320 -4.558 -7.874 2 HA TYR 1 HA TYR 1 -1.003 -2.723 -6.073 3 HB2 TYR 1 2HB TYR 1 1.096 -3.728 -4.912 4 HB3 TYR 1 3HB TYR 1 2.000 -2.696 -6.015 5 HD1 TYR 1 HD2 TYR 1 1.571 -0.200 -5.953 6 HD2 TYR 1 HD1 TYR 1 0.131 -2.851 -2.953 7 HE1 TYR 1 HE2 TYR 1 1.274 1.702 -4.422 8 HE2 TYR 1 HE1 TYR 1 -0.171 -0.956 -1.414 9 HH TYR 1 HH TYR 1 0.098 1.225 -1.105 10 H VAL 2 H VAL 2 -0.606 -0.487 -6.611 11 HA VAL 2 HA VAL 2 -0.447 -0.052 -9.409 12 HB VAL 2 HB VAL 2 -1.811 1.493 -8.355 13 HG11 VAL 2 1HG1 VAL 2 -0.530 2.898 -6.406 14 HG12 VAL 2 2HG1 VAL 2 -1.591 1.516 -6.121 15 HG13 VAL 2 3HG1 VAL 2 0.157 1.288 -6.193 16 HG21 VAL 2 3HG2 VAL 2 0.461 3.351 -8.231 17 HG22 VAL 2 1HG2 VAL 2 0.326 2.437 -9.733 18 HG23 VAL 2 2HG2 VAL 2 -1.022 3.432 -9.182 19 H LEU 3 H LEU 3 1.407 1.968 -7.213 20 HA LEU 3 HA LEU 3 3.886 1.195 -8.585 21 HB2 LEU 3 2HB LEU 3 4.380 3.276 -9.306 22 HB3 LEU 3 3HB LEU 3 2.623 3.423 -9.319 23 HG LEU 3 HG LEU 3 3.124 4.283 -6.825 24 HD11 LEU 3 1HD1 LEU 3 5.109 5.889 -7.154 25 HD12 LEU 3 2HD1 LEU 3 5.613 4.767 -8.418 26 HD13 LEU 3 3HD1 LEU 3 5.445 4.204 -6.755 27 HD21 LEU 3 3HD2 LEU 3 1.804 5.635 -8.141 28 HD22 LEU 3 1HD2 LEU 3 2.980 5.690 -9.454 29 HD23 LEU 3 2HD2 LEU 3 3.258 6.620 -7.981 30 H PHE 4 H PHE 4 2.299 2.606 -5.800 31 HA PHE 4 HA PHE 4 4.677 3.011 -4.276 32 HB2 PHE 4 2HB PHE 4 2.107 2.590 -2.858 33 HB3 PHE 4 3HB PHE 4 3.306 3.864 -2.663 34 HD1 PHE 4 HD1 PHE 4 3.508 5.409 -4.866 35 HD2 PHE 4 HD2 PHE 4 0.060 3.233 -3.645 36 HE1 PHE 4 HE1 PHE 4 2.085 6.947 -6.155 37 HE2 PHE 4 HE2 PHE 4 -1.368 4.767 -4.932 38 HZ PHE 4 HZ PHE 4 -0.357 6.626 -6.191 39 H LYS 5 H LYS 5 3.813 0.264 -5.454 40 HA LYS 5 HA LYS 5 3.253 -1.615 -3.565 41 HB2 LYS 5 2HB LYS 5 3.804 -1.887 -6.078 42 HB3 LYS 5 3HB LYS 5 5.467 -2.093 -5.543 43 HG2 LYS 5 2HG LYS 5 4.976 -4.071 -4.398 44 HG3 LYS 5 3HG LYS 5 3.239 -3.754 -4.418 45 HD2 LYS 5 2HD LYS 5 3.022 -4.365 -6.640 46 HD3 LYS 5 3HD LYS 5 4.726 -4.069 -6.994 47 HE2 LYS 5 2HE LYS 5 4.235 -6.155 -4.990 48 HE3 LYS 5 3HE LYS 5 3.615 -6.525 -6.599 49 HZ1 LYS 5 3HZ LYS 5 6.372 -5.539 -6.242 50 HZ2 LYS 5 1HZ LYS 5 5.721 -6.436 -7.520 51 HZ3 LYS 5 2HZ LYS 5 6.011 -7.178 -6.028 52 H ARG 6 H ARG 6 6.571 -0.610 -4.419 53 HA ARG 6 HA ARG 6 7.387 -1.365 -1.689 54 HB2 ARG 6 2HB ARG 6 8.875 -1.643 -4.297 55 HB3 ARG 6 3HB ARG 6 9.674 -1.743 -2.734 56 HG2 ARG 6 2HG ARG 6 7.363 -3.473 -2.850 57 HG3 ARG 6 3HG ARG 6 8.509 -3.821 -4.146 58 HD2 ARG 6 2HD ARG 6 9.812 -3.374 -1.585 59 HD3 ARG 6 3HD ARG 6 8.666 -4.712 -1.537 60 HE ARG 6 HE ARG 6 10.407 -4.818 -3.808 61 HH11 ARG 6 1HH1 ARG 6 10.111 -5.580 -0.424 62 HH12 ARG 6 2HH1 ARG 6 11.284 -6.854 -0.475 63 HH21 ARG 6 1HH2 ARG 6 11.952 -6.493 -3.888 64 HH22 ARG 6 2HH2 ARG 6 12.331 -7.373 -2.446 65 H LYS 7 H LYS 7 9.612 0.088 -3.894 66 HA LYS 7 HA LYS 7 9.375 2.645 -2.447 67 HB2 LYS 7 2HB LYS 7 11.930 1.424 -3.504 68 HB3 LYS 7 3HB LYS 7 11.780 2.898 -2.556 69 HG2 LYS 7 2HG LYS 7 11.804 1.775 -0.640 70 HG3 LYS 7 3HG LYS 7 10.592 0.626 -1.211 71 HD2 LYS 7 2HD LYS 7 13.533 0.520 -1.880 72 HD3 LYS 7 3HD LYS 7 12.741 -0.451 -0.637 73 HE2 LYS 7 2HE LYS 7 11.319 -0.681 -3.118 74 HE3 LYS 7 3HE LYS 7 13.026 -1.041 -3.371 75 HZ1 LYS 7 3HZ LYS 7 12.955 -2.752 -1.779 76 HZ2 LYS 7 1HZ LYS 7 11.569 -2.967 -2.725 77 HZ3 LYS 7 2HZ LYS 7 11.445 -2.270 -1.188 78 H ARG 8 H ARG 8 8.749 1.290 -5.290 79 HA ARG 8 HA ARG 8 10.025 2.739 -7.269 80 HB2 ARG 8 2HB ARG 8 7.387 1.393 -7.032 81 HB3 ARG 8 3HB ARG 8 7.593 2.514 -8.371 82 HG2 ARG 8 2HG ARG 8 8.121 0.306 -9.121 83 HG3 ARG 8 3HG ARG 8 9.610 1.251 -9.057 84 HD2 ARG 8 2HD ARG 8 10.149 0.239 -6.891 85 HD3 ARG 8 3HD ARG 8 8.666 -0.711 -6.969 86 HE ARG 8 HE ARG 8 9.746 -2.178 -8.337 87 HH11 ARG 8 1HH1 ARG 8 11.447 0.858 -8.403 88 HH12 ARG 8 2HH1 ARG 8 12.749 0.257 -9.375 89 HH21 ARG 8 1HH2 ARG 8 11.455 -2.982 -9.617 90 HH22 ARG 8 2HH2 ARG 8 12.752 -1.927 -10.066 91 H PHE 9 H PHE 9 7.733 3.807 -4.938 92 HA PHE 9 HA PHE 9 7.062 6.220 -6.418 93 HB2 PHE 9 2HB PHE 9 5.401 6.599 -4.837 94 HB3 PHE 9 3HB PHE 9 5.485 4.840 -4.863 95 HD1 PHE 9 HD2 PHE 9 7.923 4.390 -3.248 96 HD2 PHE 9 HD1 PHE 9 4.672 7.079 -2.684 97 HE1 PHE 9 HE2 PHE 9 8.336 4.374 -0.823 98 HE2 PHE 9 HE1 PHE 9 5.080 7.068 -0.258 99 HZ PHE 9 HZ PHE 9 6.913 5.713 0.676 100 H ILE 10 H ILE 10 9.826 5.685 -5.544 101 HA ILE 10 HA ILE 10 10.741 6.975 -3.343 102 HB ILE 10 HB ILE 10 11.836 6.823 -6.121 103 HG12 ILE 10 2HG1 ILE 10 13.550 5.987 -3.947 104 HG13 ILE 10 3HG1 ILE 10 11.959 5.247 -3.799 105 HG21 ILE 10 1HG2 ILE 10 12.650 8.943 -5.602 106 HG22 ILE 10 2HG2 ILE 10 12.868 8.546 -3.898 107 HG23 ILE 10 3HG2 ILE 10 13.956 7.866 -5.107 108 HD11 ILE 10 3HD1 ILE 10 13.016 3.701 -5.090 109 HD12 ILE 10 1HD1 ILE 10 12.334 4.731 -6.348 110 HD13 ILE 10 2HD1 ILE 10 14.030 4.899 -5.894 111 H PHE 11 H PHE 11 9.931 8.554 -6.429 112 HA PHE 11 HA PHE 11 10.565 11.159 -5.794 113 HB2 PHE 11 2HB PHE 11 8.624 11.745 -7.382 114 HB3 PHE 11 3HB PHE 11 9.936 10.760 -8.021 115 HD1 PHE 11 HD2 PHE 11 9.606 8.364 -8.421 116 HD2 PHE 11 HD1 PHE 11 6.418 10.876 -7.141 117 HE1 PHE 11 HE2 PHE 11 7.983 6.644 -9.099 118 HE2 PHE 11 HE1 PHE 11 4.789 9.160 -7.816 119 HZ PHE 11 HZ PHE 11 5.571 7.041 -8.798 120 H ILE 12 H ILE 12 7.481 9.485 -5.225 121 HA ILE 12 HA ILE 12 6.969 11.244 -2.964 122 HB ILE 12 HB ILE 12 5.182 11.093 -5.378 123 HG12 ILE 12 2HG1 ILE 12 5.148 13.657 -4.472 124 HG13 ILE 12 3HG1 ILE 12 6.755 13.153 -3.962 125 HG21 ILE 12 1HG2 ILE 12 3.524 12.351 -3.902 126 HG22 ILE 12 2HG2 ILE 12 3.658 10.609 -3.667 127 HG23 ILE 12 3HG2 ILE 12 4.441 11.714 -2.537 128 HD11 ILE 12 3HD1 ILE 12 7.217 12.454 -6.290 129 HD12 ILE 12 1HD1 ILE 12 5.650 13.115 -6.758 130 HD13 ILE 12 2HD1 ILE 12 6.901 14.180 -6.115 Start of MODEL 16 1 H1 TYR 1 H TYR 1 -2.040 -0.027 -1.444 2 HA TYR 1 HA TYR 1 -0.906 2.364 -2.378 3 HB2 TYR 1 2HB TYR 1 1.011 1.269 -0.996 4 HB3 TYR 1 3HB TYR 1 1.156 0.182 -2.372 5 HD1 TYR 1 HD2 TYR 1 1.720 1.120 -4.620 6 HD2 TYR 1 HD1 TYR 1 1.851 3.487 -1.087 7 HE1 TYR 1 HE2 TYR 1 3.109 2.779 -5.790 8 HE2 TYR 1 HE1 TYR 1 3.239 5.153 -2.247 9 HH TYR 1 HH TYR 1 3.700 5.878 -4.556 10 H VAL 2 H VAL 2 -0.231 2.220 -4.655 11 HA VAL 2 HA VAL 2 -1.958 0.454 -6.103 12 HB VAL 2 HB VAL 2 -1.790 2.516 -7.140 13 HG11 VAL 2 1HG1 VAL 2 -0.143 3.806 -6.329 14 HG12 VAL 2 2HG1 VAL 2 0.965 2.445 -6.140 15 HG13 VAL 2 3HG1 VAL 2 0.777 3.220 -7.714 16 HG21 VAL 2 3HG2 VAL 2 -1.275 1.916 -9.247 17 HG22 VAL 2 1HG2 VAL 2 0.372 1.453 -8.819 18 HG23 VAL 2 2HG2 VAL 2 -0.961 0.335 -8.531 19 H LEU 3 H LEU 3 1.347 1.066 -7.133 20 HA LEU 3 HA LEU 3 1.928 -1.809 -6.965 21 HB2 LEU 3 2HB LEU 3 2.891 -1.799 -9.178 22 HB3 LEU 3 3HB LEU 3 1.207 -1.283 -9.246 23 HG LEU 3 HG LEU 3 2.674 1.081 -9.046 24 HD11 LEU 3 1HD1 LEU 3 4.077 0.659 -11.223 25 HD12 LEU 3 2HD1 LEU 3 4.115 -0.996 -10.617 26 HD13 LEU 3 3HD1 LEU 3 4.751 0.318 -9.630 27 HD21 LEU 3 3HD2 LEU 3 1.424 1.624 -10.829 28 HD22 LEU 3 1HD2 LEU 3 0.653 0.062 -10.552 29 HD23 LEU 3 2HD2 LEU 3 1.940 0.210 -11.750 30 H PHE 4 H PHE 4 3.136 1.483 -7.243 31 HA PHE 4 HA PHE 4 5.884 0.779 -6.896 32 HB2 PHE 4 2HB PHE 4 4.858 3.505 -6.225 33 HB3 PHE 4 3HB PHE 4 6.338 3.042 -7.057 34 HD1 PHE 4 HD2 PHE 4 6.290 2.441 -9.433 35 HD2 PHE 4 HD1 PHE 4 2.815 3.836 -7.409 36 HE1 PHE 4 HE2 PHE 4 5.213 2.892 -11.599 37 HE2 PHE 4 HE1 PHE 4 1.732 4.288 -9.571 38 HZ PHE 4 HZ PHE 4 2.931 3.817 -11.670 39 H LYS 5 H LYS 5 3.954 -0.216 -4.890 40 HA LYS 5 HA LYS 5 4.222 1.170 -2.456 41 HB2 LYS 5 2HB LYS 5 2.618 -0.748 -3.072 42 HB3 LYS 5 3HB LYS 5 3.950 -1.821 -2.660 43 HG2 LYS 5 2HG LYS 5 3.952 -1.106 -0.406 44 HG3 LYS 5 3HG LYS 5 2.879 0.249 -0.764 45 HD2 LYS 5 2HD LYS 5 1.038 -1.028 -0.630 46 HD3 LYS 5 3HD LYS 5 1.785 -2.358 -1.518 47 HE2 LYS 5 2HE LYS 5 2.438 -1.734 1.352 48 HE3 LYS 5 3HE LYS 5 1.140 -2.831 0.885 49 HZ1 LYS 5 3HZ LYS 5 2.992 -4.184 1.253 50 HZ2 LYS 5 1HZ LYS 5 4.047 -3.142 0.439 51 HZ3 LYS 5 2HZ LYS 5 2.912 -4.044 -0.431 52 H ARG 6 H ARG 6 6.504 -0.525 -4.272 53 HA ARG 6 HA ARG 6 8.128 -1.388 -2.041 54 HB2 ARG 6 2HB ARG 6 8.585 -1.374 -5.026 55 HB3 ARG 6 3HB ARG 6 9.783 -1.940 -3.870 56 HG2 ARG 6 2HG ARG 6 7.032 -3.090 -3.822 57 HG3 ARG 6 3HG ARG 6 8.191 -3.628 -5.039 58 HD2 ARG 6 2HD ARG 6 9.781 -3.898 -2.987 59 HD3 ARG 6 3HD ARG 6 8.276 -3.929 -2.069 60 HE ARG 6 HE ARG 6 7.880 -5.743 -4.059 61 HH11 ARG 6 1HH1 ARG 6 10.307 -5.298 -1.604 62 HH12 ARG 6 2HH1 ARG 6 10.656 -6.989 -1.457 63 HH21 ARG 6 1HH2 ARG 6 8.329 -7.972 -3.875 64 HH22 ARG 6 2HH2 ARG 6 9.531 -8.509 -2.750 65 H LYS 7 H LYS 7 9.987 -0.106 -4.557 66 HA LYS 7 HA LYS 7 10.540 2.344 -3.017 67 HB2 LYS 7 2HB LYS 7 12.570 0.559 -4.375 68 HB3 LYS 7 3HB LYS 7 12.926 2.087 -3.579 69 HG2 LYS 7 2HG LYS 7 13.455 0.698 -1.879 70 HG3 LYS 7 3HG LYS 7 11.727 0.848 -1.551 71 HD2 LYS 7 2HD LYS 7 12.329 -1.476 -1.450 72 HD3 LYS 7 3HD LYS 7 11.354 -1.211 -2.897 73 HE2 LYS 7 2HE LYS 7 13.166 -1.458 -4.318 74 HE3 LYS 7 3HE LYS 7 14.337 -1.075 -3.056 75 HZ1 LYS 7 3HZ LYS 7 13.842 -3.205 -2.014 76 HZ2 LYS 7 1HZ LYS 7 14.385 -3.419 -3.602 77 HZ3 LYS 7 2HZ LYS 7 12.740 -3.572 -3.244 78 H ARG 8 H ARG 8 9.209 1.332 -5.727 79 HA ARG 8 HA ARG 8 10.539 2.615 -7.829 80 HB2 ARG 8 2HB ARG 8 7.748 1.688 -7.348 81 HB3 ARG 8 3HB ARG 8 8.032 2.774 -8.702 82 HG2 ARG 8 2HG ARG 8 8.109 0.501 -9.469 83 HG3 ARG 8 3HG ARG 8 9.726 1.202 -9.566 84 HD2 ARG 8 2HD ARG 8 10.301 0.116 -7.435 85 HD3 ARG 8 3HD ARG 8 8.695 -0.610 -7.385 86 HE ARG 8 HE ARG 8 9.381 -2.162 -8.925 87 HH11 ARG 8 1HH1 ARG 8 11.686 0.444 -8.810 88 HH12 ARG 8 2HH1 ARG 8 12.848 -0.365 -9.808 89 HH21 ARG 8 1HH2 ARG 8 10.903 -3.238 -10.241 90 HH22 ARG 8 2HH2 ARG 8 12.401 -2.459 -10.622 91 H PHE 9 H PHE 9 7.808 3.778 -5.854 92 HA PHE 9 HA PHE 9 8.482 6.517 -6.697 93 HB2 PHE 9 2HB PHE 9 5.890 5.172 -6.069 94 HB3 PHE 9 3HB PHE 9 6.045 6.894 -5.738 95 HD1 PHE 9 HD2 PHE 9 7.370 4.811 -8.526 96 HD2 PHE 9 HD1 PHE 9 4.823 8.009 -7.341 97 HE1 PHE 9 HE2 PHE 9 6.895 5.304 -10.889 98 HE2 PHE 9 HE1 PHE 9 4.343 8.506 -9.703 99 HZ PHE 9 HZ PHE 9 5.380 7.154 -11.480 100 H ILE 10 H ILE 10 10.122 5.747 -4.813 101 HA ILE 10 HA ILE 10 9.498 5.686 -2.166 102 HB ILE 10 HB ILE 10 11.797 7.143 -3.468 103 HG12 ILE 10 2HG1 ILE 10 12.248 4.664 -1.950 104 HG13 ILE 10 3HG1 ILE 10 11.253 4.461 -3.388 105 HG21 ILE 10 1HG2 ILE 10 11.720 8.117 -1.357 106 HG22 ILE 10 2HG2 ILE 10 11.178 6.628 -0.584 107 HG23 ILE 10 3HG2 ILE 10 12.844 6.775 -1.144 108 HD11 ILE 10 3HD1 ILE 10 13.702 4.094 -3.713 109 HD12 ILE 10 1HD1 ILE 10 12.974 5.282 -4.793 110 HD13 ILE 10 2HD1 ILE 10 13.933 5.816 -3.413 111 H PHE 11 H PHE 11 10.006 8.650 -4.075 112 HA PHE 11 HA PHE 11 9.582 10.536 -2.113 113 HB2 PHE 11 2HB PHE 11 8.654 11.966 -4.032 114 HB3 PHE 11 3HB PHE 11 10.288 11.336 -4.212 115 HD1 PHE 11 HD2 PHE 11 10.717 9.433 -5.726 116 HD2 PHE 11 HD1 PHE 11 6.907 11.317 -5.496 117 HE1 PHE 11 HE2 PHE 11 10.083 8.407 -7.871 118 HE2 PHE 11 HE1 PHE 11 6.267 10.292 -7.639 119 HZ PHE 11 HZ PHE 11 7.856 8.836 -8.830 120 H ILE 12 H ILE 12 7.134 9.017 -4.200 121 HA ILE 12 HA ILE 12 5.148 9.391 -2.108 122 HB ILE 12 HB ILE 12 4.926 10.643 -4.833 123 HG12 ILE 12 2HG1 ILE 12 3.848 12.373 -3.034 124 HG13 ILE 12 3HG1 ILE 12 5.036 11.554 -2.025 125 HG21 ILE 12 1HG2 ILE 12 2.516 11.074 -4.197 126 HG22 ILE 12 2HG2 ILE 12 2.911 9.424 -4.676 127 HG23 ILE 12 3HG2 ILE 12 2.714 9.824 -2.969 128 HD11 ILE 12 3HD1 ILE 12 6.025 13.520 -2.947 129 HD12 ILE 12 1HD1 ILE 12 6.764 12.113 -3.711 130 HD13 ILE 12 2HD1 ILE 12 5.550 13.053 -4.579 Start of MODEL 17 1 H1 TYR 1 H TYR 1 0.285 -4.228 -8.758 2 HA TYR 1 HA TYR 1 -0.287 -2.656 -6.932 3 HB2 TYR 1 2HB TYR 1 1.858 -3.510 -5.730 4 HB3 TYR 1 3HB TYR 1 2.672 -2.239 -6.635 5 HD1 TYR 1 HD1 TYR 1 1.997 0.144 -6.278 6 HD2 TYR 1 HD2 TYR 1 0.553 -3.010 -3.813 7 HE1 TYR 1 HE1 TYR 1 1.337 1.788 -4.571 8 HE2 TYR 1 HE2 TYR 1 -0.111 -1.375 -2.100 9 HH TYR 1 HH TYR 1 0.724 1.082 -1.480 10 H VAL 2 H VAL 2 -0.062 -0.306 -7.133 11 HA VAL 2 HA VAL 2 0.192 0.466 -9.870 12 HB VAL 2 HB VAL 2 -1.460 1.674 -8.791 13 HG11 VAL 2 1HG1 VAL 2 -0.563 2.985 -6.581 14 HG12 VAL 2 2HG1 VAL 2 -1.427 1.446 -6.558 15 HG13 VAL 2 3HG1 VAL 2 0.335 1.470 -6.482 16 HG21 VAL 2 3HG2 VAL 2 -0.894 3.788 -9.316 17 HG22 VAL 2 1HG2 VAL 2 0.501 3.789 -8.237 18 HG23 VAL 2 2HG2 VAL 2 0.626 3.061 -9.838 19 H LEU 3 H LEU 3 1.566 2.408 -7.279 20 HA LEU 3 HA LEU 3 4.218 2.184 -8.524 21 HB2 LEU 3 2HB LEU 3 4.550 4.566 -8.389 22 HB3 LEU 3 3HB LEU 3 3.116 4.214 -9.352 23 HG LEU 3 HG LEU 3 2.145 4.613 -6.775 24 HD11 LEU 3 1HD1 LEU 3 3.127 7.041 -6.533 25 HD12 LEU 3 2HD1 LEU 3 4.524 6.312 -7.325 26 HD13 LEU 3 3HD1 LEU 3 3.932 5.653 -5.800 27 HD21 LEU 3 3HD2 LEU 3 1.562 5.427 -9.278 28 HD22 LEU 3 1HD2 LEU 3 2.177 6.931 -8.592 29 HD23 LEU 3 2HD2 LEU 3 0.821 6.104 -7.826 30 H PHE 4 H PHE 4 2.287 3.034 -5.709 31 HA PHE 4 HA PHE 4 4.530 3.391 -3.969 32 HB2 PHE 4 2HB PHE 4 1.812 2.716 -2.925 33 HB3 PHE 4 3HB PHE 4 2.990 3.872 -2.312 34 HD1 PHE 4 HD2 PHE 4 3.179 6.093 -3.292 35 HD2 PHE 4 HD1 PHE 4 0.246 3.318 -4.637 36 HE1 PHE 4 HE2 PHE 4 1.971 7.920 -4.414 37 HE2 PHE 4 HE1 PHE 4 -0.967 5.140 -5.762 38 HZ PHE 4 HZ PHE 4 -0.105 7.444 -5.650 39 H LYS 5 H LYS 5 4.227 0.831 -5.504 40 HA LYS 5 HA LYS 5 3.513 -1.329 -3.945 41 HB2 LYS 5 2HB LYS 5 4.354 -1.259 -6.378 42 HB3 LYS 5 3HB LYS 5 5.968 -1.372 -5.687 43 HG2 LYS 5 2HG LYS 5 5.612 -3.518 -4.880 44 HG3 LYS 5 3HG LYS 5 3.855 -3.359 -4.955 45 HD2 LYS 5 2HD LYS 5 4.267 -3.103 -7.517 46 HD3 LYS 5 3HD LYS 5 5.812 -3.878 -7.157 47 HE2 LYS 5 2HE LYS 5 3.115 -4.998 -6.402 48 HE3 LYS 5 3HE LYS 5 4.025 -5.466 -7.838 49 HZ1 LYS 5 3HZ LYS 5 5.620 -6.529 -6.589 50 HZ2 LYS 5 1HZ LYS 5 4.223 -6.866 -5.696 51 HZ3 LYS 5 2HZ LYS 5 5.281 -5.651 -5.183 52 H ARG 6 H ARG 6 6.911 -0.340 -4.378 53 HA ARG 6 HA ARG 6 7.374 -1.051 -1.556 54 HB2 ARG 6 2HB ARG 6 9.098 -1.588 -3.972 55 HB3 ARG 6 3HB ARG 6 9.717 -1.669 -2.328 56 HG2 ARG 6 2HG ARG 6 7.353 -3.213 -2.412 57 HG3 ARG 6 3HG ARG 6 8.330 -3.654 -3.814 58 HD2 ARG 6 2HD ARG 6 10.276 -3.926 -2.272 59 HD3 ARG 6 3HD ARG 6 9.172 -3.673 -0.921 60 HE ARG 6 HE ARG 6 8.360 -5.801 -1.219 61 HH11 ARG 6 1HH1 ARG 6 10.297 -4.894 -3.966 62 HH12 ARG 6 2HH1 ARG 6 10.308 -6.486 -4.649 63 HH21 ARG 6 1HH2 ARG 6 8.368 -7.902 -2.108 64 HH22 ARG 6 2HH2 ARG 6 9.210 -8.196 -3.592 65 H LYS 7 H LYS 7 9.771 0.206 -3.774 66 HA LYS 7 HA LYS 7 9.724 2.768 -2.319 67 HB2 LYS 7 2HB LYS 7 12.203 1.421 -3.395 68 HB3 LYS 7 3HB LYS 7 12.123 2.853 -2.377 69 HG2 LYS 7 2HG LYS 7 12.515 1.448 -0.693 70 HG3 LYS 7 3HG LYS 7 10.814 1.004 -0.855 71 HD2 LYS 7 2HD LYS 7 12.121 -1.007 -0.822 72 HD3 LYS 7 3HD LYS 7 11.501 -0.776 -2.458 73 HE2 LYS 7 2HE LYS 7 13.566 -0.319 -3.322 74 HE3 LYS 7 3HE LYS 7 14.170 0.354 -1.809 75 HZ1 LYS 7 3HZ LYS 7 13.852 -2.504 -2.520 76 HZ2 LYS 7 1HZ LYS 7 14.131 -1.981 -0.935 77 HZ3 LYS 7 2HZ LYS 7 15.281 -1.682 -2.139 78 H ARG 8 H ARG 8 9.144 1.367 -5.204 79 HA ARG 8 HA ARG 8 10.486 2.812 -7.137 80 HB2 ARG 8 2HB ARG 8 7.745 1.608 -7.022 81 HB3 ARG 8 3HB ARG 8 8.219 2.563 -8.420 82 HG2 ARG 8 2HG ARG 8 8.613 0.259 -8.903 83 HG3 ARG 8 3HG ARG 8 10.173 1.061 -8.713 84 HD2 ARG 8 2HD ARG 8 10.383 0.190 -6.465 85 HD3 ARG 8 3HD ARG 8 8.776 -0.527 -6.564 86 HE ARG 8 HE ARG 8 10.096 -1.651 -8.645 87 HH11 ARG 8 1HH1 ARG 8 10.780 -1.344 -5.246 88 HH12 ARG 8 2HH1 ARG 8 11.681 -2.822 -5.160 89 HH21 ARG 8 1HH2 ARG 8 11.279 -3.599 -8.545 90 HH22 ARG 8 2HH2 ARG 8 11.965 -4.103 -7.037 91 H PHE 9 H PHE 9 8.121 3.894 -4.888 92 HA PHE 9 HA PHE 9 7.390 6.255 -6.382 93 HB2 PHE 9 2HB PHE 9 5.945 6.777 -4.575 94 HB3 PHE 9 3HB PHE 9 5.874 5.027 -4.748 95 HD1 PHE 9 HD1 PHE 9 8.765 4.798 -3.439 96 HD2 PHE 9 HD2 PHE 9 5.069 6.573 -2.296 97 HE1 PHE 9 HE1 PHE 9 9.378 4.540 -1.070 98 HE2 PHE 9 HE2 PHE 9 5.676 6.318 0.074 99 HZ PHE 9 HZ PHE 9 7.833 5.301 0.690 100 H ILE 10 H ILE 10 10.105 6.193 -6.185 101 HA ILE 10 HA ILE 10 11.225 7.501 -3.969 102 HB ILE 10 HB ILE 10 12.172 7.597 -6.836 103 HG12 ILE 10 2HG1 ILE 10 11.883 5.297 -5.924 104 HG13 ILE 10 3HG1 ILE 10 13.560 5.692 -6.285 105 HG21 ILE 10 1HG2 ILE 10 13.425 9.230 -5.818 106 HG22 ILE 10 2HG2 ILE 10 13.370 8.442 -4.242 107 HG23 ILE 10 3HG2 ILE 10 14.421 7.808 -5.509 108 HD11 ILE 10 3HD1 ILE 10 12.295 5.745 -3.556 109 HD12 ILE 10 1HD1 ILE 10 13.344 4.476 -4.187 110 HD13 ILE 10 2HD1 ILE 10 13.981 6.100 -3.928 111 H PHE 11 H PHE 11 9.097 8.658 -6.309 112 HA PHE 11 HA PHE 11 10.003 11.427 -6.076 113 HB2 PHE 11 2HB PHE 11 7.994 11.780 -7.678 114 HB3 PHE 11 3HB PHE 11 9.437 10.983 -8.298 115 HD1 PHE 11 HD2 PHE 11 9.453 8.475 -8.473 116 HD2 PHE 11 HD1 PHE 11 5.913 10.707 -7.697 117 HE1 PHE 11 HE2 PHE 11 8.090 6.550 -9.173 118 HE2 PHE 11 HE1 PHE 11 4.545 8.786 -8.396 119 HZ PHE 11 HZ PHE 11 5.633 6.704 -9.136 120 H ILE 12 H ILE 12 7.105 9.464 -5.474 121 HA ILE 12 HA ILE 12 5.400 11.369 -4.471 122 HB ILE 12 HB ILE 12 5.733 8.569 -3.388 123 HG12 ILE 12 2HG1 ILE 12 5.397 8.423 -5.753 124 HG13 ILE 12 3HG1 ILE 12 3.850 8.069 -4.993 125 HG21 ILE 12 1HG2 ILE 12 3.400 10.476 -3.285 126 HG22 ILE 12 2HG2 ILE 12 3.357 8.791 -2.770 127 HG23 ILE 12 3HG2 ILE 12 4.386 9.946 -1.923 128 HD11 ILE 12 3HD1 ILE 12 3.138 10.381 -5.439 129 HD12 ILE 12 1HD1 ILE 12 4.666 10.666 -6.271 130 HD13 ILE 12 2HD1 ILE 12 3.522 9.484 -6.908 Start of MODEL 18 1 H1 TYR 1 H TYR 1 0.388 -5.917 -8.943 2 HA TYR 1 HA TYR 1 0.030 -5.025 -6.240 3 HB2 TYR 1 2HB TYR 1 2.172 -4.553 -5.603 4 HB3 TYR 1 3HB TYR 1 2.509 -5.945 -6.627 5 HD1 TYR 1 HD1 TYR 1 2.588 -2.260 -6.454 6 HD2 TYR 1 HD2 TYR 1 3.734 -5.711 -8.663 7 HE1 TYR 1 HE1 TYR 1 4.084 -0.875 -7.829 8 HE2 TYR 1 HE2 TYR 1 5.235 -4.336 -10.043 9 HH TYR 1 HH TYR 1 5.196 -0.883 -9.920 10 H VAL 2 H VAL 2 0.336 -2.646 -6.055 11 HA VAL 2 HA VAL 2 -0.895 -1.330 -8.252 12 HB VAL 2 HB VAL 2 -1.305 -0.628 -5.941 13 HG11 VAL 2 1HG1 VAL 2 0.416 -0.526 -4.536 14 HG12 VAL 2 2HG1 VAL 2 1.579 -0.536 -5.863 15 HG13 VAL 2 3HG1 VAL 2 0.877 0.987 -5.316 16 HG21 VAL 2 3HG2 VAL 2 -0.272 1.896 -6.603 17 HG22 VAL 2 1HG2 VAL 2 -0.633 1.098 -8.134 18 HG23 VAL 2 2HG2 VAL 2 -1.895 1.282 -6.916 19 H LEU 3 H LEU 3 1.193 0.932 -7.158 20 HA LEU 3 HA LEU 3 3.165 0.428 -9.285 21 HB2 LEU 3 2HB LEU 3 1.348 2.184 -9.763 22 HB3 LEU 3 3HB LEU 3 2.199 3.179 -8.583 23 HG LEU 3 HG LEU 3 2.948 2.450 -11.356 24 HD11 LEU 3 1HD1 LEU 3 2.908 4.835 -9.591 25 HD12 LEU 3 2HD1 LEU 3 2.368 4.648 -11.259 26 HD13 LEU 3 3HD1 LEU 3 4.089 4.793 -10.900 27 HD21 LEU 3 3HD2 LEU 3 4.735 1.393 -10.078 28 HD22 LEU 3 1HD2 LEU 3 4.992 2.890 -9.181 29 HD23 LEU 3 2HD2 LEU 3 5.323 2.832 -10.913 30 H PHE 4 H PHE 4 2.490 2.417 -6.408 31 HA PHE 4 HA PHE 4 5.365 2.327 -5.778 32 HB2 PHE 4 2HB PHE 4 4.356 4.261 -4.132 33 HB3 PHE 4 3HB PHE 4 5.087 4.567 -5.704 34 HD1 PHE 4 HD1 PHE 4 3.554 4.673 -7.728 35 HD2 PHE 4 HD2 PHE 4 2.136 4.826 -3.718 36 HE1 PHE 4 HE1 PHE 4 1.447 5.670 -8.515 37 HE2 PHE 4 HE2 PHE 4 0.027 5.823 -4.498 38 HZ PHE 4 HZ PHE 4 -0.321 6.245 -6.899 39 H LYS 5 H LYS 5 3.301 0.286 -5.179 40 HA LYS 5 HA LYS 5 2.364 0.244 -2.608 41 HB2 LYS 5 2HB LYS 5 2.604 -1.602 -4.638 42 HB3 LYS 5 3HB LYS 5 3.605 -2.297 -3.370 43 HG2 LYS 5 2HG LYS 5 1.038 -1.322 -2.399 44 HG3 LYS 5 3HG LYS 5 0.894 -2.590 -3.618 45 HD2 LYS 5 2HD LYS 5 2.760 -3.741 -2.160 46 HD3 LYS 5 3HD LYS 5 2.112 -2.690 -0.899 47 HE2 LYS 5 2HE LYS 5 -0.175 -3.602 -1.535 48 HE3 LYS 5 3HE LYS 5 0.687 -4.827 -2.464 49 HZ1 LYS 5 3HZ LYS 5 0.153 -4.785 0.289 50 HZ2 LYS 5 1HZ LYS 5 1.830 -4.724 0.078 51 HZ3 LYS 5 2HZ LYS 5 0.937 -5.984 -0.611 52 H ARG 6 H ARG 6 5.661 -0.096 -3.693 53 HA ARG 6 HA ARG 6 6.529 -0.614 -0.932 54 HB2 ARG 6 2HB ARG 6 7.966 -0.987 -3.563 55 HB3 ARG 6 3HB ARG 6 8.725 -1.202 -1.991 56 HG2 ARG 6 2HG ARG 6 6.281 -2.723 -2.181 57 HG3 ARG 6 3HG ARG 6 7.393 -3.122 -3.492 58 HD2 ARG 6 2HD ARG 6 8.877 -4.094 -2.106 59 HD3 ARG 6 3HD ARG 6 8.639 -2.885 -0.844 60 HE ARG 6 HE ARG 6 6.344 -4.374 -0.831 61 HH11 ARG 6 1HH1 ARG 6 9.742 -5.047 -0.482 62 HH12 ARG 6 2HH1 ARG 6 9.498 -6.412 0.556 63 HH21 ARG 6 1HH2 ARG 6 6.010 -6.170 0.536 64 HH22 ARG 6 2HH2 ARG 6 7.375 -7.051 1.134 65 H LYS 7 H LYS 7 8.925 0.549 -3.029 66 HA LYS 7 HA LYS 7 8.706 3.254 -1.878 67 HB2 LYS 7 2HB LYS 7 11.379 2.119 -2.566 68 HB3 LYS 7 3HB LYS 7 10.950 3.313 -1.348 69 HG2 LYS 7 2HG LYS 7 11.391 1.579 0.030 70 HG3 LYS 7 3HG LYS 7 9.698 1.210 -0.303 71 HD2 LYS 7 2HD LYS 7 10.980 -0.805 -0.552 72 HD3 LYS 7 3HD LYS 7 10.452 -0.279 -2.152 73 HE2 LYS 7 2HE LYS 7 12.554 0.083 -2.856 74 HE3 LYS 7 3HE LYS 7 13.047 0.798 -1.322 75 HZ1 LYS 7 3HZ LYS 7 12.599 -1.946 -0.940 76 HZ2 LYS 7 1HZ LYS 7 14.049 -1.086 -0.793 77 HZ3 LYS 7 2HZ LYS 7 13.611 -1.757 -2.282 78 H ARG 8 H ARG 8 8.121 1.810 -4.583 79 HA ARG 8 HA ARG 8 9.791 2.789 -6.570 80 HB2 ARG 8 2HB ARG 8 7.078 1.725 -6.413 81 HB3 ARG 8 3HB ARG 8 7.267 2.905 -7.703 82 HG2 ARG 8 2HG ARG 8 7.671 0.691 -8.555 83 HG3 ARG 8 3HG ARG 8 9.174 1.615 -8.572 84 HD2 ARG 8 2HD ARG 8 9.786 0.538 -6.414 85 HD3 ARG 8 3HD ARG 8 8.343 -0.467 -6.556 86 HE ARG 8 HE ARG 8 9.426 -1.746 -8.119 87 HH11 ARG 8 1HH1 ARG 8 11.183 1.221 -7.644 88 HH12 ARG 8 2HH1 ARG 8 12.547 0.717 -8.585 89 HH21 ARG 8 1HH2 ARG 8 11.216 -2.422 -9.361 90 HH22 ARG 8 2HH2 ARG 8 12.564 -1.355 -9.562 91 H PHE 9 H PHE 9 7.666 4.488 -4.508 92 HA PHE 9 HA PHE 9 7.283 6.752 -6.253 93 HB2 PHE 9 2HB PHE 9 6.088 7.751 -4.423 94 HB3 PHE 9 3HB PHE 9 5.622 6.056 -4.508 95 HD1 PHE 9 HD2 PHE 9 6.679 4.432 -2.896 96 HD2 PHE 9 HD1 PHE 9 7.017 8.655 -2.477 97 HE1 PHE 9 HE2 PHE 9 7.292 4.145 -0.531 98 HE2 PHE 9 HE1 PHE 9 7.632 8.374 -0.111 99 HZ PHE 9 HZ PHE 9 7.769 6.117 0.865 100 H ILE 10 H ILE 10 10.017 6.022 -5.808 101 HA ILE 10 HA ILE 10 11.387 7.462 -3.895 102 HB ILE 10 HB ILE 10 12.219 6.915 -6.745 103 HG12 ILE 10 2HG1 ILE 10 11.764 4.878 -5.511 104 HG13 ILE 10 3HG1 ILE 10 13.504 5.060 -5.701 105 HG21 ILE 10 1HG2 ILE 10 13.541 8.352 -4.570 106 HG22 ILE 10 2HG2 ILE 10 14.516 7.063 -5.274 107 HG23 ILE 10 3HG2 ILE 10 13.881 8.349 -6.300 108 HD11 ILE 10 3HD1 ILE 10 11.850 5.484 -3.237 109 HD12 ILE 10 1HD1 ILE 10 13.162 4.336 -3.497 110 HD13 ILE 10 2HD1 ILE 10 13.510 6.061 -3.380 111 H PHE 11 H PHE 11 10.435 8.541 -7.149 112 HA PHE 11 HA PHE 11 11.542 11.046 -7.197 113 HB2 PHE 11 2HB PHE 11 9.412 11.672 -8.542 114 HB3 PHE 11 3HB PHE 11 10.467 10.409 -9.167 115 HD1 PHE 11 HD2 PHE 11 9.808 8.041 -8.977 116 HD2 PHE 11 HD1 PHE 11 7.189 11.203 -7.853 117 HE1 PHE 11 HE2 PHE 11 7.904 6.484 -9.046 118 HE2 PHE 11 HE1 PHE 11 5.281 9.651 -7.920 119 HZ PHE 11 HZ PHE 11 5.637 7.289 -8.519 120 H ILE 12 H ILE 12 8.362 10.176 -5.859 121 HA ILE 12 HA ILE 12 8.574 12.423 -4.007 122 HB ILE 12 HB ILE 12 6.402 12.098 -6.047 123 HG12 ILE 12 2HG1 ILE 12 6.705 14.706 -5.836 124 HG13 ILE 12 3HG1 ILE 12 8.242 14.261 -5.102 125 HG21 ILE 12 1HG2 ILE 12 5.049 12.140 -4.163 126 HG22 ILE 12 2HG2 ILE 12 6.145 13.197 -3.276 127 HG23 ILE 12 3HG2 ILE 12 5.169 13.845 -4.594 128 HD11 ILE 12 3HD1 ILE 12 9.018 14.290 -7.188 129 HD12 ILE 12 1HD1 ILE 12 8.221 12.726 -7.355 130 HD13 ILE 12 2HD1 ILE 12 7.404 14.195 -7.890 Start of MODEL 19 1 H1 TYR 1 H TYR 1 -0.559 -5.524 -4.809 2 HA TYR 1 HA TYR 1 -1.238 -2.847 -3.776 3 HB2 TYR 1 2HB TYR 1 0.854 -2.577 -2.905 4 HB3 TYR 1 3HB TYR 1 0.760 -4.331 -2.792 5 HD1 TYR 1 HD1 TYR 1 2.116 -1.532 -4.792 6 HD2 TYR 1 HD2 TYR 1 2.215 -5.721 -4.053 7 HE1 TYR 1 HE1 TYR 1 4.139 -1.722 -6.178 8 HE2 TYR 1 HE2 TYR 1 4.239 -5.923 -5.436 9 HH TYR 1 HH TYR 1 6.141 -4.361 -6.155 10 H VAL 2 H VAL 2 -0.147 -1.052 -4.918 11 HA VAL 2 HA VAL 2 -0.591 -1.223 -7.712 12 HB VAL 2 HB VAL 2 -0.899 0.873 -6.482 13 HG11 VAL 2 1HG1 VAL 2 1.791 0.310 -5.607 14 HG12 VAL 2 2HG1 VAL 2 1.671 1.935 -6.284 15 HG13 VAL 2 3HG1 VAL 2 0.613 1.451 -4.957 16 HG21 VAL 2 3HG2 VAL 2 1.047 2.044 -8.128 17 HG22 VAL 2 1HG2 VAL 2 0.547 0.562 -8.942 18 HG23 VAL 2 2HG2 VAL 2 -0.656 1.774 -8.500 19 H LEU 3 H LEU 3 2.087 0.640 -7.568 20 HA LEU 3 HA LEU 3 3.896 -1.560 -8.315 21 HB2 LEU 3 2HB LEU 3 4.836 -0.128 -10.063 22 HB3 LEU 3 3HB LEU 3 3.130 -0.478 -10.333 23 HG LEU 3 HG LEU 3 3.497 2.011 -8.895 24 HD11 LEU 3 1HD1 LEU 3 5.483 2.472 -9.961 25 HD12 LEU 3 2HD1 LEU 3 4.312 3.133 -11.101 26 HD13 LEU 3 3HD1 LEU 3 5.046 1.559 -11.405 27 HD21 LEU 3 3HD2 LEU 3 1.652 0.859 -10.563 28 HD22 LEU 3 1HD2 LEU 3 2.400 2.075 -11.598 29 HD23 LEU 3 2HD2 LEU 3 1.670 2.551 -10.064 30 H PHE 4 H PHE 4 3.473 1.587 -6.871 31 HA PHE 4 HA PHE 4 6.228 1.433 -5.835 32 HB2 PHE 4 2HB PHE 4 6.029 3.966 -5.614 33 HB3 PHE 4 3HB PHE 4 6.184 3.331 -7.249 34 HD1 PHE 4 HD2 PHE 4 3.541 4.255 -4.786 35 HD2 PHE 4 HD1 PHE 4 4.756 4.120 -8.863 36 HE1 PHE 4 HE2 PHE 4 1.484 5.439 -5.434 37 HE2 PHE 4 HE1 PHE 4 2.700 5.304 -9.518 38 HZ PHE 4 HZ PHE 4 1.061 5.964 -7.803 39 H LYS 5 H LYS 5 3.729 0.325 -4.734 40 HA LYS 5 HA LYS 5 2.883 1.944 -2.551 41 HB2 LYS 5 2HB LYS 5 1.588 0.042 -3.611 42 HB3 LYS 5 3HB LYS 5 2.661 -1.059 -2.757 43 HG2 LYS 5 2HG LYS 5 0.564 -0.765 -1.564 44 HG3 LYS 5 3HG LYS 5 1.923 -0.145 -0.623 45 HD2 LYS 5 2HD LYS 5 1.023 1.891 -0.554 46 HD3 LYS 5 3HD LYS 5 0.830 1.920 -2.309 47 HE2 LYS 5 2HE LYS 5 -1.347 2.142 -1.500 48 HE3 LYS 5 3HE LYS 5 -1.220 0.432 -1.910 49 HZ1 LYS 5 3HZ LYS 5 -0.597 1.303 0.826 50 HZ2 LYS 5 1HZ LYS 5 -1.190 -0.185 0.283 51 HZ3 LYS 5 2HZ LYS 5 -2.216 1.157 0.358 52 H ARG 6 H ARG 6 5.760 0.409 -3.106 53 HA ARG 6 HA ARG 6 6.247 -0.124 -0.257 54 HB2 ARG 6 2HB ARG 6 8.461 -1.087 -1.406 55 HB3 ARG 6 3HB ARG 6 6.990 -2.037 -1.241 56 HG2 ARG 6 2HG ARG 6 6.405 -1.721 -3.493 57 HG3 ARG 6 3HG ARG 6 7.572 -0.413 -3.695 58 HD2 ARG 6 2HD ARG 6 8.437 -2.384 -4.755 59 HD3 ARG 6 3HD ARG 6 9.394 -2.054 -3.312 60 HE ARG 6 HE ARG 6 7.499 -3.802 -2.452 61 HH11 ARG 6 1HH1 ARG 6 9.830 -3.822 -5.038 62 HH12 ARG 6 2HH1 ARG 6 10.026 -5.543 -5.024 63 HH21 ARG 6 1HH2 ARG 6 7.748 -6.069 -2.424 64 HH22 ARG 6 2HH2 ARG 6 8.840 -6.821 -3.537 65 H LYS 7 H LYS 7 8.842 0.446 -2.486 66 HA LYS 7 HA LYS 7 9.360 3.053 -1.214 67 HB2 LYS 7 2HB LYS 7 11.493 2.495 -0.690 68 HB3 LYS 7 3HB LYS 7 10.847 0.859 -0.719 69 HG2 LYS 7 2HG LYS 7 12.224 2.225 -3.023 70 HG3 LYS 7 3HG LYS 7 12.967 1.052 -1.932 71 HD2 LYS 7 2HD LYS 7 10.638 -0.187 -2.810 72 HD3 LYS 7 3HD LYS 7 11.278 0.618 -4.244 73 HE2 LYS 7 2HE LYS 7 13.445 -0.458 -3.877 74 HE3 LYS 7 3HE LYS 7 12.807 -1.258 -2.442 75 HZ1 LYS 7 3HZ LYS 7 11.499 -2.653 -3.693 76 HZ2 LYS 7 1HZ LYS 7 12.858 -2.507 -4.690 77 HZ3 LYS 7 2HZ LYS 7 11.459 -1.621 -5.032 78 H ARG 8 H ARG 8 8.900 1.336 -4.072 79 HA ARG 8 HA ARG 8 10.559 2.521 -5.929 80 HB2 ARG 8 2HB ARG 8 8.394 0.828 -6.032 81 HB3 ARG 8 3HB ARG 8 7.791 2.260 -6.856 82 HG2 ARG 8 2HG ARG 8 8.699 1.244 -8.648 83 HG3 ARG 8 3HG ARG 8 10.167 2.030 -8.065 84 HD2 ARG 8 2HD ARG 8 10.953 0.052 -7.062 85 HD3 ARG 8 3HD ARG 8 9.375 -0.727 -7.176 86 HE ARG 8 HE ARG 8 10.156 -0.185 -9.767 87 HH11 ARG 8 1HH1 ARG 8 11.349 -2.053 -7.082 88 HH12 ARG 8 2HH1 ARG 8 12.119 -3.241 -8.082 89 HH21 ARG 8 1HH2 ARG 8 11.166 -1.742 -11.094 90 HH22 ARG 8 2HH2 ARG 8 12.015 -3.062 -10.364 91 H PHE 9 H PHE 9 7.978 3.928 -4.135 92 HA PHE 9 HA PHE 9 7.530 6.145 -5.903 93 HB2 PHE 9 2HB PHE 9 5.991 6.930 -4.302 94 HB3 PHE 9 3HB PHE 9 5.882 5.176 -4.192 95 HD1 PHE 9 HD2 PHE 9 7.669 4.158 -2.446 96 HD2 PHE 9 HD1 PHE 9 6.006 8.074 -2.325 97 HE1 PHE 9 HE2 PHE 9 8.140 4.280 -0.034 98 HE2 PHE 9 HE1 PHE 9 6.475 8.202 0.087 99 HZ PHE 9 HZ PHE 9 7.542 6.303 1.236 100 H ILE 10 H ILE 10 10.219 5.981 -5.542 101 HA ILE 10 HA ILE 10 11.216 7.583 -3.424 102 HB ILE 10 HB ILE 10 12.548 7.133 -6.092 103 HG12 ILE 10 2HG1 ILE 10 12.622 5.387 -3.621 104 HG13 ILE 10 3HG1 ILE 10 11.817 4.986 -5.134 105 HG21 ILE 10 1HG2 ILE 10 13.301 8.499 -3.703 106 HG22 ILE 10 2HG2 ILE 10 14.356 7.104 -3.927 107 HG23 ILE 10 3HG2 ILE 10 14.206 8.310 -5.204 108 HD11 ILE 10 3HD1 ILE 10 14.489 5.627 -5.760 109 HD12 ILE 10 1HD1 ILE 10 14.517 4.543 -4.370 110 HD13 ILE 10 2HD1 ILE 10 13.688 4.059 -5.849 111 H PHE 11 H PHE 11 9.374 8.408 -6.061 112 HA PHE 11 HA PHE 11 10.596 10.998 -6.537 113 HB2 PHE 11 2HB PHE 11 8.288 11.141 -7.911 114 HB3 PHE 11 3HB PHE 11 9.732 10.356 -8.544 115 HD1 PHE 11 HD2 PHE 11 9.940 7.873 -8.386 116 HD2 PHE 11 HD1 PHE 11 6.322 9.925 -7.480 117 HE1 PHE 11 HE2 PHE 11 8.689 5.769 -8.630 118 HE2 PHE 11 HE1 PHE 11 5.066 7.823 -7.721 119 HZ PHE 11 HZ PHE 11 6.249 5.742 -8.298 120 H ILE 12 H ILE 12 7.332 9.908 -5.590 121 HA ILE 12 HA ILE 12 7.205 11.960 -3.550 122 HB ILE 12 HB ILE 12 5.084 12.912 -4.390 123 HG12 ILE 12 2HG1 ILE 12 5.150 10.741 -6.144 124 HG13 ILE 12 3HG1 ILE 12 3.994 12.068 -6.157 125 HG21 ILE 12 1HG2 ILE 12 6.083 14.308 -6.153 126 HG22 ILE 12 2HG2 ILE 12 7.158 14.102 -4.771 127 HG23 ILE 12 3HG2 ILE 12 7.440 13.186 -6.251 128 HD11 ILE 12 3HD1 ILE 12 5.326 13.273 -7.750 129 HD12 ILE 12 1HD1 ILE 12 6.597 12.055 -7.662 130 HD13 ILE 12 2HD1 ILE 12 5.027 11.643 -8.351 Start of MODEL 20 1 H1 TYR 1 H TYR 1 0.321 -2.126 -0.914 2 HA TYR 1 HA TYR 1 0.068 0.654 -1.828 3 HB2 TYR 1 2HB TYR 1 2.321 1.011 -1.987 4 HB3 TYR 1 3HB TYR 1 2.327 -0.107 -0.628 5 HD1 TYR 1 HD2 TYR 1 2.907 0.191 -4.263 6 HD2 TYR 1 HD1 TYR 1 3.323 -2.261 -0.811 7 HE1 TYR 1 HE2 TYR 1 4.386 -1.319 -5.521 8 HE2 TYR 1 HE1 TYR 1 4.805 -3.777 -2.059 9 HH TYR 1 HH TYR 1 5.314 -4.395 -4.333 10 H VAL 2 H VAL 2 0.719 0.916 -4.130 11 HA VAL 2 HA VAL 2 -0.625 -0.973 -5.753 12 HB VAL 2 HB VAL 2 -0.452 1.433 -6.315 13 HG11 VAL 2 1HG1 VAL 2 1.961 1.600 -7.686 14 HG12 VAL 2 2HG1 VAL 2 1.548 2.401 -6.170 15 HG13 VAL 2 3HG1 VAL 2 2.372 0.842 -6.148 16 HG21 VAL 2 3HG2 VAL 2 -1.120 0.503 -8.243 17 HG22 VAL 2 1HG2 VAL 2 0.534 0.789 -8.782 18 HG23 VAL 2 2HG2 VAL 2 0.075 -0.789 -8.143 19 H LEU 3 H LEU 3 1.838 -0.292 -7.710 20 HA LEU 3 HA LEU 3 3.375 -2.702 -7.002 21 HB2 LEU 3 2HB LEU 3 3.379 -3.467 -9.196 22 HB3 LEU 3 3HB LEU 3 1.722 -2.923 -8.940 23 HG LEU 3 HG LEU 3 2.469 -2.294 -11.148 24 HD11 LEU 3 1HD1 LEU 3 0.977 -0.771 -9.888 25 HD12 LEU 3 2HD1 LEU 3 1.974 0.057 -11.084 26 HD13 LEU 3 3HD1 LEU 3 2.397 0.141 -9.374 27 HD21 LEU 3 3HD2 LEU 3 4.487 -0.371 -10.195 28 HD22 LEU 3 1HD2 LEU 3 4.460 -1.367 -11.651 29 HD23 LEU 3 2HD2 LEU 3 4.945 -2.073 -10.109 30 H PHE 4 H PHE 4 3.382 0.584 -7.850 31 HA PHE 4 HA PHE 4 6.300 0.505 -8.260 32 HB2 PHE 4 2HB PHE 4 5.952 2.713 -9.480 33 HB3 PHE 4 3HB PHE 4 5.377 1.269 -10.306 34 HD1 PHE 4 HD2 PHE 4 4.012 3.649 -7.770 35 HD2 PHE 4 HD1 PHE 4 3.408 1.556 -11.427 36 HE1 PHE 4 HE2 PHE 4 1.780 4.662 -7.977 37 HE2 PHE 4 HE1 PHE 4 1.175 2.567 -11.640 38 HZ PHE 4 HZ PHE 4 0.357 4.121 -9.913 39 H LYS 5 H LYS 5 4.627 0.750 -5.790 40 HA LYS 5 HA LYS 5 5.479 3.420 -4.894 41 HB2 LYS 5 2HB LYS 5 3.019 2.296 -4.673 42 HB3 LYS 5 3HB LYS 5 3.732 1.803 -3.142 43 HG2 LYS 5 2HG LYS 5 3.755 3.905 -2.318 44 HG3 LYS 5 3HG LYS 5 4.069 4.638 -3.892 45 HD2 LYS 5 2HD LYS 5 1.870 4.858 -4.373 46 HD3 LYS 5 3HD LYS 5 1.438 3.340 -3.582 47 HE2 LYS 5 2HE LYS 5 2.314 5.662 -1.924 48 HE3 LYS 5 3HE LYS 5 0.676 5.637 -2.577 49 HZ1 LYS 5 3HZ LYS 5 0.696 3.242 -1.568 50 HZ2 LYS 5 1HZ LYS 5 0.366 4.584 -0.592 51 HZ3 LYS 5 2HZ LYS 5 1.905 3.883 -0.575 52 H ARG 6 H ARG 6 6.462 0.273 -4.850 53 HA ARG 6 HA ARG 6 7.276 -0.095 -2.169 54 HB2 ARG 6 2HB ARG 6 7.181 -2.027 -3.529 55 HB3 ARG 6 3HB ARG 6 8.179 -1.295 -4.778 56 HG2 ARG 6 2HG ARG 6 10.126 -1.712 -3.665 57 HG3 ARG 6 3HG ARG 6 9.357 -1.666 -2.077 58 HD2 ARG 6 2HD ARG 6 8.200 -3.816 -3.487 59 HD3 ARG 6 3HD ARG 6 9.941 -3.921 -3.740 60 HE ARG 6 HE ARG 6 10.208 -4.435 -1.516 61 HH11 ARG 6 1HH1 ARG 6 6.966 -3.297 -2.074 62 HH12 ARG 6 2HH1 ARG 6 6.399 -3.743 -0.498 63 HH21 ARG 6 1HH2 ARG 6 9.474 -5.026 0.561 64 HH22 ARG 6 2HH2 ARG 6 7.826 -4.725 1.000 65 H LYS 7 H LYS 7 9.603 0.152 -4.822 66 HA LYS 7 HA LYS 7 11.124 2.097 -3.212 67 HB2 LYS 7 2HB LYS 7 12.178 -0.186 -4.889 68 HB3 LYS 7 3HB LYS 7 13.186 1.065 -4.176 69 HG2 LYS 7 2HG LYS 7 12.726 0.335 -1.987 70 HG3 LYS 7 3HG LYS 7 11.382 -0.675 -2.525 71 HD2 LYS 7 2HD LYS 7 14.268 -1.123 -3.279 72 HD3 LYS 7 3HD LYS 7 13.436 -1.959 -1.965 73 HE2 LYS 7 2HE LYS 7 11.916 -2.089 -4.417 74 HE3 LYS 7 3HE LYS 7 13.548 -2.715 -4.649 75 HZ1 LYS 7 3HZ LYS 7 13.230 -4.264 -2.888 76 HZ2 LYS 7 1HZ LYS 7 11.901 -4.400 -3.926 77 HZ3 LYS 7 2HZ LYS 7 11.746 -3.578 -2.456 78 H ARG 8 H ARG 8 9.349 1.788 -5.907 79 HA ARG 8 HA ARG 8 11.076 3.193 -7.757 80 HB2 ARG 8 2HB ARG 8 8.229 2.221 -7.887 81 HB3 ARG 8 3HB ARG 8 8.916 3.242 -9.143 82 HG2 ARG 8 2HG ARG 8 9.239 1.133 -10.001 83 HG3 ARG 8 3HG ARG 8 10.789 1.449 -9.219 84 HD2 ARG 8 2HD ARG 8 10.492 -0.496 -8.166 85 HD3 ARG 8 3HD ARG 8 9.277 0.342 -7.201 86 HE ARG 8 HE ARG 8 7.671 -0.891 -8.251 87 HH11 ARG 8 1HH1 ARG 8 10.565 -0.952 -10.185 88 HH12 ARG 8 2HH1 ARG 8 9.936 -2.094 -11.325 89 HH21 ARG 8 1HH2 ARG 8 6.831 -2.396 -9.745 90 HH22 ARG 8 2HH2 ARG 8 7.811 -2.915 -11.074 91 H PHE 9 H PHE 9 8.380 3.901 -5.624 92 HA PHE 9 HA PHE 9 8.637 6.750 -6.333 93 HB2 PHE 9 2HB PHE 9 6.250 5.080 -5.656 94 HB3 PHE 9 3HB PHE 9 6.241 6.789 -5.232 95 HD1 PHE 9 HD2 PHE 9 7.417 4.849 -8.198 96 HD2 PHE 9 HD1 PHE 9 4.991 8.012 -6.707 97 HE1 PHE 9 HE2 PHE 9 6.743 5.411 -10.496 98 HE2 PHE 9 HE1 PHE 9 4.312 8.578 -9.003 99 HZ PHE 9 HZ PHE 9 5.189 7.278 -10.902 100 H ILE 10 H ILE 10 10.475 6.148 -4.638 101 HA ILE 10 HA ILE 10 10.083 5.755 -1.975 102 HB ILE 10 HB ILE 10 11.999 7.702 -3.258 103 HG12 ILE 10 2HG1 ILE 10 12.216 5.314 -3.920 104 HG13 ILE 10 3HG1 ILE 10 13.622 5.914 -3.047 105 HG21 ILE 10 1HG2 ILE 10 13.289 7.319 -1.085 106 HG22 ILE 10 2HG2 ILE 10 11.898 8.401 -1.027 107 HG23 ILE 10 3HG2 ILE 10 11.756 6.751 -0.423 108 HD11 ILE 10 3HD1 ILE 10 11.650 4.733 -1.282 109 HD12 ILE 10 1HD1 ILE 10 12.225 3.607 -2.512 110 HD13 ILE 10 2HD1 ILE 10 13.376 4.405 -1.439 111 H PHE 11 H PHE 11 9.958 8.918 -3.610 112 HA PHE 11 HA PHE 11 9.382 10.524 -1.447 113 HB2 PHE 11 2HB PHE 11 8.097 11.943 -3.161 114 HB3 PHE 11 3HB PHE 11 9.797 11.620 -3.487 115 HD1 PHE 11 HD2 PHE 11 10.437 9.990 -5.216 116 HD2 PHE 11 HD1 PHE 11 6.381 11.111 -4.578 117 HE1 PHE 11 HE2 PHE 11 9.839 9.067 -7.417 118 HE2 PHE 11 HE1 PHE 11 5.776 10.188 -6.777 119 HZ PHE 11 HZ PHE 11 7.506 9.166 -8.200 120 H ILE 12 H ILE 12 7.071 8.800 -3.529 121 HA ILE 12 HA ILE 12 5.203 8.658 -1.305 122 HB ILE 12 HB ILE 12 4.589 10.081 -3.882 123 HG12 ILE 12 2HG1 ILE 12 3.374 11.444 -1.865 124 HG13 ILE 12 3HG1 ILE 12 4.753 10.758 -1.012 125 HG21 ILE 12 1HG2 ILE 12 2.733 8.611 -2.057 126 HG22 ILE 12 2HG2 ILE 12 2.184 10.055 -2.907 127 HG23 ILE 12 3HG2 ILE 12 2.764 8.661 -3.819 128 HD11 ILE 12 3HD1 ILE 12 5.325 12.940 -1.803 129 HD12 ILE 12 1HD1 ILE 12 6.237 11.747 -2.728 130 HD13 ILE 12 2HD1 ILE 12 4.825 12.526 -3.443