*HEADER HORMONE 04-NOV-08 SMS20052 *TITLE SOLUTION NMR STRUCTURE OF INSULIN A-CHAIN PEPTIDE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: INSULIN A CHAIN; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: UNP RESIDES 90-104; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_COMMON: HUMAN; *SOURCE 5 ORGANISM_TAXID: 9606; *SOURCE 6 OTHER_DETAILS: SYNTHESIZED USING STANDARD FMOC-CHEMISTRY *KEYWDS INSULIN A-CHAIN ANALOG, LEAST TARGET FUNCTION VALUE, TORSION ANGLE *KEYWDS 2 DYNAMICS, HORMONE *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR A.K.SHARMA, Y.ZHANG, Y.LING, A.B.GREER, D.A.HAFLER, S.C.KENT, *AUTHOR 2 A.C.RIGBY 1 GLY H 1 GLY QA 2.70 1 GLY QA 2 ILE HB 4.67 1 GLY QA 2 ILE QD1 3.00 1 GLY QA 2 ILE QG1 3.29 1 GLY QA 2 ILE H 2.70 2 ILE H 2 ILE HB 3.50 2 ILE H 2 ILE QG1 2.70 2 ILE H 2 ILE QG2 3.71 2 ILE HA 2 ILE HB 3.02 2 ILE HA 2 ILE QG1 3.33 2 ILE HB 2 ILE QG1 2.70 2 ILE HA 2 ILE QD1 3.76 2 ILE HB 2 ILE QD1 2.70 2 ILE H 2 ILE QD1 2.70 2 ILE H 3 VAL H 2.70 2 ILE HA 3 VAL H 3.47 2 ILE QD1 3 VAL H 3.00 2 ILE HB 3 VAL H 2.70 2 ILE QG1 3 VAL H 3.97 2 ILE QG1 4 GLU H 5.27 2 ILE QD1 4 GLU QB 5.33 2 ILE QD1 4 GLU QG 4.06 2 ILE HB 4 GLU H 4.21 2 ILE QD1 10 ILE QD1 5.94 2 ILE QG2 13 LEU QQD 3.73 2 ILE QD1 14 TYR QE 5.97 3 VAL H 3 VAL HB 3.71 3 VAL H 3 VAL QQG 3.50 3 VAL HA 3 VAL HB 3.01 3 VAL HA 3 VAL QQG 3.50 3 VAL HA 4 GLU H 3.45 3 VAL HB 4 GLU H 4.53 3 VAL HA 5 GLN H 4.92 3 VAL QQG 5 GLN QE2 3.99 3 VAL QQG 8 THR QG2 5.80 3 VAL QQG 14 TYR QD 3.50 4 GLU H 4 GLU QB 3.50 4 GLU H 4 GLU QG 3.87 4 GLU HA 4 GLU QB 2.70 4 GLU QB 4 GLU QG 2.70 4 GLU H 5 GLN HA 5.57 4 GLU QB 5 GLN H 3.94 4 GLU H 5 GLN QG 4.27 4 GLU QG 5 GLN H 4.46 4 GLU HA 6 CYS H 4.62 4 GLU HA 7 CYS H 4.86 5 GLN HA 5 GLN QG 3.50 5 GLN QB 5 GLN QG 2.70 5 GLN H 5 GLN QG 3.10 5 GLN H 5 GLN QB 3.50 5 GLN H 5 GLN HA 2.94 5 GLN QG 5 GLN QE2 2.59 5 GLN HA 6 CYS H 3.50 5 GLN QG 6 CYS H 4.36 5 GLN QB 6 CYS H 4.05 5 GLN HA 6 CYS QB 5.07 5 GLN H 7 CYS H 4.77 5 GLN HA 7 CYS H 5.00 5 GLN HA 8 THR H 5.24 6 CYS H 6 CYS QB 3.27 6 CYS HA 6 CYS QB 3.00 6 CYS H 7 CYS H 3.19 6 CYS H 7 CYS QB 5.15 6 CYS HA 7 CYS H 3.50 6 CYS H 8 THR H 4.61 6 CYS H 8 THR QG2 4.85 6 CYS QB 8 THR QG2 5.36 6 CYS QB 10 ILE QG2 3.50 6 CYS QB 10 ILE QG1 3.93 6 CYS HA 11 CYS QB 4.30 6 CYS H 11 CYS QB 4.93 7 CYS H 7 CYS QB 3.50 7 CYS H 7 CYS HA 2.94 7 CYS H 8 THR H 3.40 7 CYS QB 8 THR H 3.73 7 CYS HA 8 THR H 3.50 7 CYS HA 8 THR QG2 5.00 7 CYS H 8 THR QG2 3.94 8 THR H 8 THR QG2 5.00 8 THR H 8 THR HB 4.00 8 THR HA 8 THR QG2 3.00 9 SER H 9 SER QB 2.98 9 SER QB 10 ILE H 3.84 9 SER H 10 ILE H 3.00 10 ILE H 10 ILE HB 3.95 10 ILE H 10 ILE QG1 4.31 10 ILE H 10 ILE QD1 4.17 10 ILE HA 10 ILE HB 3.02 10 ILE HB 10 ILE QG1 2.70 10 ILE HB 10 ILE QD1 3.21 10 ILE HA 10 ILE QG1 3.29 10 ILE QG2 10 ILE QG1 3.00 10 ILE HA 10 ILE QD1 3.91 10 ILE HA 11 CYS H 3.14 10 ILE H 11 CYS H 4.21 10 ILE H 12 SER H 5.99 10 ILE HA 12 SER H 4.14 10 ILE QG1 12 SER H 5.61 10 ILE QD1 12 SER H 4.91 10 ILE HA 14 TYR H 5.56 10 ILE QD1 14 TYR QD 4.00 11 CYS H 11 CYS QB 2.98 11 CYS QB 12 SER H 3.84 11 CYS H 12 SER H 3.04 12 SER H 12 SER QB 3.11 12 SER H 12 SER HA 2.93 12 SER H 13 LEU H 3.50 12 SER QB 13 LEU H 3.50 12 SER HA 14 TYR H 4.77 12 SER H 14 TYR H 3.94 13 LEU H 13 LEU HA 2.90 13 LEU H 13 LEU QB 2.91 13 LEU H 13 LEU HG 4.51 13 LEU H 13 LEU QQD 3.50 13 LEU HA 13 LEU HG 3.48 13 LEU QB 13 LEU HG 2.70 13 LEU HA 13 LEU QQD 3.30 13 LEU QB 13 LEU QQD 3.00 13 LEU H 14 TYR QB 4.75 13 LEU H 14 TYR QD 4.52 13 LEU HA 14 TYR H 3.52 13 LEU H 14 TYR H 3.00 13 LEU QB 14 TYR H 3.50 13 LEU HG 14 TYR H 4.43 13 LEU QB 14 TYR QD 4.15 13 LEU QB 14 TYR QE 4.76 13 LEU QQD 14 TYR QD 4.33 14 TYR H 14 TYR QB 2.70 14 TYR H 14 TYR QD 3.50 14 TYR HA 14 TYR QD 3.50 14 TYR H 15 GLN H 3.39 14 TYR QB 15 GLN H 3.50 14 TYR HA 15 GLN QG 4.46 14 TYR HA 15 GLN H 3.50 14 TYR QD 15 GLN H 4.41 14 TYR HA 15 GLN QB 4.57 15 GLN H 15 GLN HA 2.70 15 GLN H 15 GLN QB 3.42 15 GLN H 15 GLN QG 3.00 15 GLN HA 15 GLN QG 3.44 15 GLN HA 15 GLN QB 3.00 15 GLN QG 15 GLN QE2 2.76 5 GLN PHI -120.0 -20.0 6 CYS PHI -120.0 -20.0 7 CYS PHI -120.0 -20.0 8 THR PHI -120.0 -20.0 11 CYS PHI -120.0 -20.0 12 SER PHI -120.0 -20.0 13 LEU PHI -120.0 -20.0 14 TYR PHI -120.0 -20.0 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -4.055 -8.496 -2.840 2 HA2 GLY 1 1HA GLY 1 -3.651 -6.337 -2.144 3 HA3 GLY 1 2HA GLY 1 -5.376 -6.139 -2.415 4 H ILE 2 H ILE 2 -3.772 -4.799 -0.443 5 HA ILE 2 HA ILE 2 -4.841 -5.943 2.049 6 HB ILE 2 HB ILE 2 -2.858 -3.731 2.131 7 HG13 ILE 2 1HG1 ILE 2 -2.336 -6.452 1.035 8 HG21 ILE 2 1HG2 ILE 2 -2.029 -5.261 4.018 9 HG22 ILE 2 2HG2 ILE 2 -3.574 -4.440 4.233 10 HG23 ILE 2 3HG2 ILE 2 -3.536 -6.143 3.776 11 HD11 ILE 2 3HD1 ILE 2 -0.440 -4.252 0.624 12 HD12 ILE 2 1HD1 ILE 2 -1.115 -5.406 -0.524 13 HD13 ILE 2 2HD1 ILE 2 -2.056 -3.998 -0.032 14 H VAL 3 H VAL 3 -3.960 -2.665 0.959 15 HA VAL 3 HA VAL 3 -6.609 -1.749 1.870 16 HB VAL 3 HB VAL 3 -5.410 0.457 2.390 17 HG11 VAL 3 1HG1 VAL 3 -6.167 -1.581 3.956 18 HG12 VAL 3 2HG1 VAL 3 -4.439 -1.564 4.315 19 HG13 VAL 3 3HG1 VAL 3 -5.411 -0.116 4.580 20 HG21 VAL 3 3HG2 VAL 3 -3.293 -0.312 1.227 21 HG22 VAL 3 1HG2 VAL 3 -3.087 0.429 2.814 22 HG23 VAL 3 2HG2 VAL 3 -2.998 -1.324 2.641 23 H GLU 4 H GLU 4 -4.097 -1.619 -0.506 24 HA GLU 4 HA GLU 4 -4.024 -0.779 -2.619 25 HB3 GLU 4 1HB GLU 4 -6.064 -0.423 -3.808 26 HG3 GLU 4 1HG GLU 4 -5.737 -2.722 -2.219 27 H GLN 5 H GLN 5 -4.042 0.951 -0.052 28 HA GLN 5 HA GLN 5 -4.665 3.554 -1.226 29 HB3 GLN 5 1HB GLN 5 -5.401 2.907 1.114 30 HG3 GLN 5 1HG GLN 5 -2.710 3.711 2.072 31 HE21 GLN 5 1HE2 GLN 5 -2.314 2.630 4.173 32 HE22 GLN 5 2HE2 GLN 5 -3.668 2.365 5.212 33 H CYS 6 H CYS 6 -2.301 1.782 -1.901 34 HA CYS 6 HA CYS 6 0.024 3.104 -0.912 35 HB3 CYS 6 1HB CYS 6 0.090 0.783 -1.714 36 HG CYS 6 HG CYS 6 -1.370 0.063 -3.734 37 H CYS 7 H CYS 7 -2.232 3.785 -3.395 38 HA CYS 7 HA CYS 7 -0.757 5.121 -5.302 39 HB3 CYS 7 1HB CYS 7 -3.097 6.656 -4.904 40 HG CYS 7 HG CYS 7 -4.186 4.684 -6.983 41 H THR 8 H THR 8 -1.439 6.053 -2.045 42 HA THR 8 HA THR 8 -0.975 8.842 -2.312 43 HB THR 8 HB THR 8 -0.922 8.947 0.062 44 HG1 THR 8 HG1 THR 8 0.151 7.455 1.095 45 HG21 THR 8 3HG2 THR 8 -2.921 7.764 0.706 46 HG22 THR 8 1HG2 THR 8 -2.722 6.622 -0.623 47 HG23 THR 8 2HG2 THR 8 -3.102 8.311 -0.961 48 H SER 9 H SER 9 1.094 6.168 -1.191 49 HA SER 9 HA SER 9 3.429 7.077 -2.395 50 HB3 SER 9 1HB SER 9 2.867 8.257 0.278 51 HG SER 9 HG SER 9 5.306 8.447 0.369 52 H ILE 10 H ILE 10 2.201 5.604 0.588 53 HA ILE 10 HA ILE 10 4.362 3.811 0.938 54 HB ILE 10 HB ILE 10 2.973 4.279 2.824 55 HG13 ILE 10 1HG1 ILE 10 2.310 1.447 2.007 56 HG21 ILE 10 1HG2 ILE 10 0.842 3.923 0.923 57 HG22 ILE 10 2HG2 ILE 10 0.551 2.962 2.372 58 HG23 ILE 10 3HG2 ILE 10 0.815 4.701 2.505 59 HD11 ILE 10 3HD1 ILE 10 4.587 1.254 3.485 60 HD12 ILE 10 1HD1 ILE 10 4.494 1.107 1.731 61 HD13 ILE 10 2HD1 ILE 10 4.926 2.652 2.464 62 H CYS 11 H CYS 11 4.728 2.850 -1.096 63 HA CYS 11 HA CYS 11 2.747 0.792 -1.819 64 HB3 CYS 11 1HB CYS 11 2.812 2.494 -3.553 65 HG CYS 11 HG CYS 11 5.452 2.370 -5.182 66 H SER 12 H SER 12 5.623 1.226 -0.403 67 HA SER 12 HA SER 12 7.424 -0.486 -1.652 68 HB3 SER 12 1HB SER 12 8.270 -0.845 0.779 69 HG SER 12 HG SER 12 8.016 1.781 -0.272 70 H LEU 13 H LEU 13 5.743 -1.401 1.343 71 HA LEU 13 HA LEU 13 5.916 -4.189 0.635 72 HB3 LEU 13 1HB LEU 13 4.890 -2.675 3.008 73 HG LEU 13 HG LEU 13 4.329 -5.521 2.391 74 HD11 LEU 13 1HD1 LEU 13 5.527 -6.266 4.124 75 HD12 LEU 13 2HD1 LEU 13 4.283 -5.515 5.125 76 HD13 LEU 13 3HD1 LEU 13 5.775 -4.644 4.772 77 HD21 LEU 13 3HD2 LEU 13 2.710 -3.494 2.726 78 HD22 LEU 13 1HD2 LEU 13 2.966 -3.833 4.438 79 HD23 LEU 13 2HD2 LEU 13 2.303 -5.080 3.382 80 H TYR 14 H TYR 14 3.563 -1.668 0.449 81 HA TYR 14 HA TYR 14 1.336 -3.501 0.110 82 HB3 TYR 14 1HB TYR 14 0.014 -1.414 -0.237 83 HD1 TYR 14 HD2 TYR 14 2.823 -0.830 2.147 84 HD2 TYR 14 HD1 TYR 14 -1.272 -1.870 1.642 85 HE1 TYR 14 HE2 TYR 14 2.513 -0.769 4.586 86 HE2 TYR 14 HE1 TYR 14 -1.593 -1.810 4.081 87 HH TYR 14 HH TYR 14 1.084 -0.982 6.266 88 H GLN 15 H GLN 15 3.799 -2.831 -1.796 89 HA GLN 15 HA GLN 15 4.203 -2.784 -4.037 90 HB3 GLN 15 1HB GLN 15 2.785 -4.190 -5.411 91 HG3 GLN 15 1HG GLN 15 2.302 -5.947 -3.284 92 HE21 GLN 15 1HE2 GLN 15 2.288 -6.584 -5.717 93 HE22 GLN 15 2HE2 GLN 15 3.734 -7.351 -6.271 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -6.897 -7.887 -2.325 2 HA2 GLY 1 1HA GLY 1 -4.649 -7.610 -1.751 3 HA3 GLY 1 2HA GLY 1 -4.800 -5.891 -2.084 4 H ILE 2 H ILE 2 -4.134 -4.907 -0.278 5 HA ILE 2 HA ILE 2 -5.160 -5.875 2.301 6 HB ILE 2 HB ILE 2 -3.024 -3.805 2.158 7 HG13 ILE 2 1HG1 ILE 2 -2.781 -6.618 1.219 8 HG21 ILE 2 1HG2 ILE 2 -3.714 -6.089 3.987 9 HG22 ILE 2 2HG2 ILE 2 -2.215 -5.173 4.125 10 HG23 ILE 2 3HG2 ILE 2 -3.765 -4.360 4.331 11 HD11 ILE 2 3HD1 ILE 2 -0.713 -4.637 0.599 12 HD12 ILE 2 1HD1 ILE 2 -1.560 -5.769 -0.454 13 HD13 ILE 2 2HD1 ILE 2 -2.327 -4.250 0.009 14 H VAL 3 H VAL 3 -4.144 -2.699 1.039 15 HA VAL 3 HA VAL 3 -6.682 -1.586 2.039 16 HB VAL 3 HB VAL 3 -4.037 -0.140 2.159 17 HG11 VAL 3 1HG1 VAL 3 -5.947 1.332 2.027 18 HG12 VAL 3 2HG1 VAL 3 -6.748 0.460 3.336 19 HG13 VAL 3 3HG1 VAL 3 -5.278 1.381 3.656 20 HG21 VAL 3 3HG2 VAL 3 -5.510 -1.524 4.400 21 HG22 VAL 3 1HG2 VAL 3 -4.011 -2.083 3.658 22 HG23 VAL 3 2HG2 VAL 3 -4.038 -0.565 4.556 23 H GLU 4 H GLU 4 -4.187 -1.600 -0.380 24 HA GLU 4 HA GLU 4 -4.114 -0.794 -2.507 25 HB3 GLU 4 1HB GLU 4 -6.136 -0.433 -3.687 26 HG3 GLU 4 1HG GLU 4 -7.509 -2.120 -1.759 27 H GLN 5 H GLN 5 -3.895 0.948 -0.018 28 HA GLN 5 HA GLN 5 -4.488 3.567 -1.192 29 HB3 GLN 5 1HB GLN 5 -5.195 2.992 1.170 30 HG3 GLN 5 1HG GLN 5 -2.505 2.282 1.474 31 HE21 GLN 5 1HE2 GLN 5 -2.090 2.900 4.204 32 HE22 GLN 5 2HE2 GLN 5 -1.487 4.517 4.293 33 H CYS 6 H CYS 6 -2.213 1.677 -1.886 34 HA CYS 6 HA CYS 6 0.186 2.922 -0.981 35 HB3 CYS 6 1HB CYS 6 0.027 0.558 -1.794 36 HG CYS 6 HG CYS 6 -1.052 1.982 -4.568 37 H CYS 7 H CYS 7 -2.076 3.591 -3.485 38 HA CYS 7 HA CYS 7 -0.509 4.896 -5.371 39 HB3 CYS 7 1HB CYS 7 -2.845 6.371 -5.329 40 HG CYS 7 HG CYS 7 -3.752 5.174 -7.530 41 H THR 8 H THR 8 -1.326 5.831 -2.170 42 HA THR 8 HA THR 8 -0.968 8.647 -2.494 43 HB THR 8 HB THR 8 -1.132 8.826 -0.138 44 HG1 THR 8 HG1 THR 8 -0.754 6.024 0.137 45 HG21 THR 8 3HG2 THR 8 -2.760 6.400 -0.899 46 HG22 THR 8 1HG2 THR 8 -3.196 8.066 -1.279 47 HG23 THR 8 2HG2 THR 8 -3.109 7.539 0.402 48 H SER 9 H SER 9 1.066 6.053 -1.147 49 HA SER 9 HA SER 9 3.469 6.991 -2.185 50 HB3 SER 9 1HB SER 9 4.104 7.624 0.475 51 HG SER 9 HG SER 9 3.602 9.330 -1.740 52 H ILE 10 H ILE 10 1.901 5.440 0.561 53 HA ILE 10 HA ILE 10 4.101 3.762 1.235 54 HB ILE 10 HB ILE 10 2.438 4.207 2.913 55 HG13 ILE 10 1HG1 ILE 10 3.559 1.862 2.632 56 HG21 ILE 10 1HG2 ILE 10 0.282 4.367 2.420 57 HG22 ILE 10 2HG2 ILE 10 0.618 3.805 0.783 58 HG23 ILE 10 3HG2 ILE 10 0.227 2.644 2.051 59 HD11 ILE 10 3HD1 ILE 10 1.733 2.871 4.577 60 HD12 ILE 10 1HD1 ILE 10 1.487 1.135 4.380 61 HD13 ILE 10 2HD1 ILE 10 3.087 1.760 4.786 62 H CYS 11 H CYS 11 4.633 2.994 -0.927 63 HA CYS 11 HA CYS 11 2.940 0.720 -1.728 64 HB3 CYS 11 1HB CYS 11 2.823 2.426 -3.440 65 HG CYS 11 HG CYS 11 4.762 4.224 -3.329 66 H SER 12 H SER 12 5.607 1.347 -0.116 67 HA SER 12 HA SER 12 7.659 -0.093 -1.394 68 HB3 SER 12 1HB SER 12 8.645 -0.259 0.914 69 HG SER 12 HG SER 12 7.865 2.344 0.924 70 H LEU 13 H LEU 13 5.048 -1.089 0.744 71 HA LEU 13 HA LEU 13 5.878 -3.891 0.363 72 HB3 LEU 13 1HB LEU 13 4.554 -2.490 2.653 73 HG LEU 13 HG LEU 13 4.158 -5.333 1.935 74 HD11 LEU 13 1HD1 LEU 13 5.431 -4.499 4.426 75 HD12 LEU 13 2HD1 LEU 13 5.281 -6.102 3.704 76 HD13 LEU 13 3HD1 LEU 13 3.955 -5.436 4.658 77 HD21 LEU 13 3HD2 LEU 13 2.106 -5.025 3.118 78 HD22 LEU 13 1HD2 LEU 13 2.352 -3.615 2.086 79 HD23 LEU 13 2HD2 LEU 13 2.674 -3.509 3.817 80 H TYR 14 H TYR 14 3.343 -1.559 0.030 81 HA TYR 14 HA TYR 14 1.329 -3.563 -0.569 82 HB3 TYR 14 1HB TYR 14 -0.144 -1.583 -0.955 83 HD1 TYR 14 HD1 TYR 14 2.369 -0.879 1.708 84 HD2 TYR 14 HD2 TYR 14 -1.546 -2.256 0.771 85 HE1 TYR 14 HE1 TYR 14 1.834 -0.972 4.107 86 HE2 TYR 14 HE2 TYR 14 -2.093 -2.352 3.167 87 HH TYR 14 HH TYR 14 -0.907 -2.550 5.317 88 H GLN 15 H GLN 15 3.545 -1.480 -2.229 89 HA GLN 15 HA GLN 15 4.038 -1.169 -4.428 90 HB3 GLN 15 1HB GLN 15 3.884 -3.056 -5.870 91 HG3 GLN 15 1HG GLN 15 3.934 -4.440 -3.223 92 HE21 GLN 15 1HE2 GLN 15 3.342 -5.901 -5.261 93 HE22 GLN 15 2HE2 GLN 15 4.705 -6.725 -5.928 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -4.977 -8.319 -3.380 2 HA2 GLY 1 1HA GLY 1 -3.406 -6.421 -2.311 3 HA3 GLY 1 2HA GLY 1 -5.111 -6.129 -2.625 4 H ILE 2 H ILE 2 -3.586 -4.883 -0.583 5 HA ILE 2 HA ILE 2 -4.700 -6.098 1.856 6 HB ILE 2 HB ILE 2 -2.742 -3.865 2.025 7 HG13 ILE 2 1HG1 ILE 2 -2.176 -6.565 0.898 8 HG21 ILE 2 1HG2 ILE 2 -3.524 -4.626 4.095 9 HG22 ILE 2 2HG2 ILE 2 -3.417 -6.319 3.613 10 HG23 ILE 2 3HG2 ILE 2 -1.946 -5.394 3.914 11 HD11 ILE 2 3HD1 ILE 2 -0.941 -5.482 -0.622 12 HD12 ILE 2 1HD1 ILE 2 -1.883 -4.080 -0.112 13 HD13 ILE 2 2HD1 ILE 2 -0.276 -4.357 0.562 14 H VAL 3 H VAL 3 -3.843 -2.782 0.864 15 HA VAL 3 HA VAL 3 -6.519 -1.923 1.748 16 HB VAL 3 HB VAL 3 -4.000 -0.292 2.063 17 HG11 VAL 3 1HG1 VAL 3 -5.401 1.122 3.484 18 HG12 VAL 3 2HG1 VAL 3 -6.049 1.014 1.847 19 HG13 VAL 3 3HG1 VAL 3 -6.788 0.085 3.151 20 HG21 VAL 3 3HG2 VAL 3 -5.270 -2.294 3.840 21 HG22 VAL 3 1HG2 VAL 3 -3.577 -1.828 3.682 22 HG23 VAL 3 2HG2 VAL 3 -4.692 -0.804 4.588 23 H GLU 4 H GLU 4 -3.957 -1.692 -0.571 24 HA GLU 4 HA GLU 4 -3.850 -0.790 -2.657 25 HB3 GLU 4 1HB GLU 4 -5.852 -0.500 -3.900 26 HG3 GLU 4 1HG GLU 4 -7.183 -2.374 -2.136 27 H GLN 5 H GLN 5 -3.952 0.870 -0.058 28 HA GLN 5 HA GLN 5 -4.665 3.484 -1.147 29 HB3 GLN 5 1HB GLN 5 -5.340 2.763 1.178 30 HG3 GLN 5 1HG GLN 5 -2.607 2.220 1.472 31 HE21 GLN 5 1HE2 GLN 5 -1.043 2.885 2.917 32 HE22 GLN 5 2HE2 GLN 5 -1.026 4.469 3.609 33 H CYS 6 H CYS 6 -2.245 1.800 -1.900 34 HA CYS 6 HA CYS 6 0.044 3.192 -0.929 35 HB3 CYS 6 1HB CYS 6 0.206 0.897 -1.760 36 HG CYS 6 HG CYS 6 -1.162 0.022 -3.757 37 H CYS 7 H CYS 7 -2.312 3.904 -3.272 38 HA CYS 7 HA CYS 7 -0.968 5.272 -5.247 39 HB3 CYS 7 1HB CYS 7 -3.056 6.718 -5.366 40 HG CYS 7 HG CYS 7 -4.645 5.025 -6.630 41 H THR 8 H THR 8 -1.415 6.147 -1.933 42 HA THR 8 HA THR 8 -0.927 8.937 -2.193 43 HB THR 8 HB THR 8 -0.763 9.016 0.171 44 HG1 THR 8 HG1 THR 8 -0.635 6.851 1.294 45 HG21 THR 8 3HG2 THR 8 -2.991 8.361 -0.788 46 HG22 THR 8 1HG2 THR 8 -2.747 7.899 0.896 47 HG23 THR 8 2HG2 THR 8 -2.602 6.690 -0.380 48 H SER 9 H SER 9 1.143 6.205 -1.224 49 HA SER 9 HA SER 9 3.432 7.093 -2.530 50 HB3 SER 9 1HB SER 9 4.447 7.575 0.036 51 HG SER 9 HG SER 9 4.530 9.784 -0.843 52 H ILE 10 H ILE 10 2.476 5.675 0.592 53 HA ILE 10 HA ILE 10 4.570 3.803 0.736 54 HB ILE 10 HB ILE 10 3.360 4.267 2.729 55 HG13 ILE 10 1HG1 ILE 10 2.513 1.488 1.897 56 HG21 ILE 10 1HG2 ILE 10 1.041 3.934 0.999 57 HG22 ILE 10 2HG2 ILE 10 0.857 3.147 2.566 58 HG23 ILE 10 3HG2 ILE 10 1.223 4.870 2.483 59 HD11 ILE 10 3HD1 ILE 10 4.650 1.010 1.546 60 HD12 ILE 10 1HD1 ILE 10 5.186 2.569 2.177 61 HD13 ILE 10 2HD1 ILE 10 4.874 1.230 3.282 62 H CYS 11 H CYS 11 4.827 2.733 -1.217 63 HA CYS 11 HA CYS 11 2.686 0.825 -1.890 64 HB3 CYS 11 1HB CYS 11 2.897 2.509 -3.647 65 HG CYS 11 HG CYS 11 5.808 1.644 -4.926 66 H SER 12 H SER 12 5.750 1.168 -0.687 67 HA SER 12 HA SER 12 7.292 -0.790 -1.881 68 HB3 SER 12 1HB SER 12 8.337 0.583 -0.256 69 HG SER 12 HG SER 12 7.549 0.928 1.722 70 H LEU 13 H LEU 13 5.738 -1.356 1.267 71 HA LEU 13 HA LEU 13 5.605 -4.192 0.706 72 HB3 LEU 13 1HB LEU 13 5.003 -2.485 3.095 73 HG LEU 13 HG LEU 13 4.131 -5.295 2.695 74 HD11 LEU 13 1HD1 LEU 13 4.348 -5.302 5.360 75 HD12 LEU 13 2HD1 LEU 13 5.788 -4.368 4.958 76 HD13 LEU 13 3HD1 LEU 13 5.575 -5.987 4.291 77 HD21 LEU 13 3HD2 LEU 13 2.770 -3.068 3.116 78 HD22 LEU 13 1HD2 LEU 13 3.124 -3.454 4.800 79 HD23 LEU 13 2HD2 LEU 13 2.252 -4.612 3.797 80 H TYR 14 H TYR 14 3.492 -1.451 0.686 81 HA TYR 14 HA TYR 14 1.035 -2.886 0.869 82 HB3 TYR 14 1HB TYR 14 0.181 -0.668 -0.244 83 HD1 TYR 14 HD1 TYR 14 2.486 -1.114 2.669 84 HD2 TYR 14 HD2 TYR 14 -1.306 0.225 1.274 85 HE1 TYR 14 HE1 TYR 14 1.826 -0.590 4.980 86 HE2 TYR 14 HE2 TYR 14 -1.976 0.751 3.581 87 HH TYR 14 HH TYR 14 0.274 0.325 6.291 88 H GLN 15 H GLN 15 3.270 -2.235 -1.672 89 HA GLN 15 HA GLN 15 3.284 -2.683 -3.905 90 HB3 GLN 15 1HB GLN 15 2.298 -4.792 -4.579 91 HG3 GLN 15 1HG GLN 15 2.819 -5.922 -2.057 92 HE21 GLN 15 1HE2 GLN 15 5.814 -5.355 -2.821 93 HE22 GLN 15 2HE2 GLN 15 6.088 -6.508 -4.079 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -7.200 -7.779 -2.176 2 HA2 GLY 1 1HA GLY 1 -4.710 -7.472 -2.223 3 HA3 GLY 1 2HA GLY 1 -5.054 -5.768 -2.471 4 H ILE 2 H ILE 2 -4.173 -4.920 -0.651 5 HA ILE 2 HA ILE 2 -5.068 -5.997 1.933 6 HB ILE 2 HB ILE 2 -2.937 -3.920 1.757 7 HG13 ILE 2 1HG1 ILE 2 -2.756 -6.698 0.704 8 HG21 ILE 2 1HG2 ILE 2 -3.242 -6.367 3.490 9 HG22 ILE 2 2HG2 ILE 2 -2.083 -5.056 3.704 10 HG23 ILE 2 3HG2 ILE 2 -3.808 -4.752 3.918 11 HD11 ILE 2 3HD1 ILE 2 -1.628 -5.789 -0.998 12 HD12 ILE 2 1HD1 ILE 2 -2.348 -4.281 -0.433 13 HD13 ILE 2 2HD1 ILE 2 -0.707 -4.711 0.050 14 H VAL 3 H VAL 3 -4.118 -2.764 0.764 15 HA VAL 3 HA VAL 3 -6.603 -1.702 1.938 16 HB VAL 3 HB VAL 3 -5.234 0.394 2.450 17 HG11 VAL 3 1HG1 VAL 3 -5.094 -2.196 3.923 18 HG12 VAL 3 2HG1 VAL 3 -4.209 -0.800 4.539 19 HG13 VAL 3 3HG1 VAL 3 -5.958 -0.716 4.331 20 HG21 VAL 3 3HG2 VAL 3 -2.891 0.236 2.653 21 HG22 VAL 3 1HG2 VAL 3 -2.910 -1.513 2.426 22 HG23 VAL 3 2HG2 VAL 3 -3.270 -0.444 1.071 23 H GLU 4 H GLU 4 -4.213 -1.591 -0.584 24 HA GLU 4 HA GLU 4 -4.229 -0.677 -2.668 25 HB3 GLU 4 1HB GLU 4 -6.298 -0.263 -3.742 26 HG3 GLU 4 1HG GLU 4 -7.616 -2.038 -1.870 27 H GLN 5 H GLN 5 -4.049 0.952 -0.040 28 HA GLN 5 HA GLN 5 -4.603 3.619 -1.114 29 HB3 GLN 5 1HB GLN 5 -5.388 3.029 1.179 30 HG3 GLN 5 1HG GLN 5 -2.674 2.202 1.523 31 HE21 GLN 5 1HE2 GLN 5 -1.110 2.789 2.901 32 HE22 GLN 5 2HE2 GLN 5 -1.158 4.195 3.903 33 H CYS 6 H CYS 6 -2.341 1.804 -1.920 34 HA CYS 6 HA CYS 6 0.055 2.986 -0.901 35 HB3 CYS 6 1HB CYS 6 0.098 0.707 -1.730 36 HG CYS 6 HG CYS 6 -2.011 1.075 -3.750 37 H CYS 7 H CYS 7 -2.168 3.757 -3.413 38 HA CYS 7 HA CYS 7 -0.615 5.128 -5.240 39 HB3 CYS 7 1HB CYS 7 -2.954 4.762 -5.670 40 HG CYS 7 HG CYS 7 -4.148 7.142 -3.629 41 H THR 8 H THR 8 -1.424 5.981 -1.994 42 HA THR 8 HA THR 8 -1.006 8.776 -2.160 43 HB THR 8 HB THR 8 -0.962 8.800 0.222 44 HG1 THR 8 HG1 THR 8 0.429 7.252 0.859 45 HG21 THR 8 3HG2 THR 8 -3.122 8.168 -0.854 46 HG22 THR 8 1HG2 THR 8 -2.955 7.582 0.800 47 HG23 THR 8 2HG2 THR 8 -2.726 6.477 -0.553 48 H SER 9 H SER 9 1.123 6.111 -1.150 49 HA SER 9 HA SER 9 3.444 7.163 -2.283 50 HB3 SER 9 1HB SER 9 4.303 7.553 0.347 51 HG SER 9 HG SER 9 3.507 9.503 -1.560 52 H ILE 10 H ILE 10 2.339 5.515 0.671 53 HA ILE 10 HA ILE 10 4.523 3.718 0.805 54 HB ILE 10 HB ILE 10 3.234 4.105 2.787 55 HG13 ILE 10 1HG1 ILE 10 4.227 1.854 2.500 56 HG21 ILE 10 1HG2 ILE 10 1.006 3.781 0.999 57 HG22 ILE 10 2HG2 ILE 10 0.819 2.745 2.414 58 HG23 ILE 10 3HG2 ILE 10 1.051 4.481 2.616 59 HD11 ILE 10 3HD1 ILE 10 3.490 1.522 4.558 60 HD12 ILE 10 1HD1 ILE 10 2.015 2.438 4.248 61 HD13 ILE 10 2HD1 ILE 10 2.087 0.720 3.849 62 H CYS 11 H CYS 11 4.773 2.847 -1.282 63 HA CYS 11 HA CYS 11 2.755 0.817 -1.984 64 HB3 CYS 11 1HB CYS 11 2.691 2.562 -3.652 65 HG CYS 11 HG CYS 11 4.568 4.146 -4.365 66 H SER 12 H SER 12 5.690 1.178 -0.694 67 HA SER 12 HA SER 12 7.100 -0.864 -2.195 68 HB3 SER 12 1HB SER 12 8.538 -0.394 0.140 69 HG SER 12 HG SER 12 9.926 0.157 -1.331 70 H LEU 13 H LEU 13 5.182 -0.586 0.682 71 HA LEU 13 HA LEU 13 5.973 -3.216 1.648 72 HB3 LEU 13 1HB LEU 13 4.120 -1.093 2.696 73 HG LEU 13 HG LEU 13 4.379 -3.897 3.649 74 HD11 LEU 13 1HD1 LEU 13 4.773 -1.522 5.337 75 HD12 LEU 13 2HD1 LEU 13 5.222 -3.205 5.612 76 HD13 LEU 13 3HD1 LEU 13 3.568 -2.673 5.917 77 HD21 LEU 13 3HD2 LEU 13 2.333 -2.255 2.755 78 HD22 LEU 13 1HD2 LEU 13 2.105 -2.317 4.503 79 HD23 LEU 13 2HD2 LEU 13 2.155 -3.812 3.567 80 H TYR 14 H TYR 14 3.191 -1.604 0.204 81 HA TYR 14 HA TYR 14 1.604 -4.034 0.285 82 HB3 TYR 14 1HB TYR 14 -0.127 -2.641 -0.830 83 HD1 TYR 14 HD2 TYR 14 -0.186 -3.726 1.709 84 HD2 TYR 14 HD1 TYR 14 0.638 0.323 0.694 85 HE1 TYR 14 HE2 TYR 14 -0.910 -3.022 3.951 86 HE2 TYR 14 HE1 TYR 14 -0.084 1.038 2.934 87 HH TYR 14 HH TYR 14 -0.340 -0.905 5.489 88 H GLN 15 H GLN 15 3.513 -2.192 -1.982 89 HA GLN 15 HA GLN 15 4.237 -2.632 -4.093 90 HB3 GLN 15 1HB GLN 15 4.468 -4.904 -4.788 91 HG3 GLN 15 1HG GLN 15 4.505 -5.424 -1.874 92 HE21 GLN 15 1HE2 GLN 15 7.219 -4.630 -3.895 93 HE22 GLN 15 2HE2 GLN 15 7.821 -6.241 -4.068 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -6.527 -7.374 -2.403 2 HA2 GLY 1 1HA GLY 1 -3.802 -7.636 -2.324 3 HA3 GLY 1 2HA GLY 1 -4.060 -5.912 -2.554 4 H ILE 2 H ILE 2 -3.611 -4.998 -0.651 5 HA ILE 2 HA ILE 2 -4.718 -6.220 1.785 6 HB ILE 2 HB ILE 2 -2.755 -3.985 1.928 7 HG13 ILE 2 1HG1 ILE 2 -2.216 -6.696 0.823 8 HG21 ILE 2 1HG2 ILE 2 -1.961 -5.422 3.851 9 HG22 ILE 2 2HG2 ILE 2 -3.585 -4.756 4.001 10 HG23 ILE 2 3HG2 ILE 2 -3.365 -6.447 3.545 11 HD11 ILE 2 3HD1 ILE 2 -1.892 -4.217 -0.195 12 HD12 ILE 2 1HD1 ILE 2 -0.290 -4.515 0.476 13 HD13 ILE 2 2HD1 ILE 2 -0.972 -5.633 -0.705 14 H VAL 3 H VAL 3 -3.880 -2.896 0.806 15 HA VAL 3 HA VAL 3 -6.559 -2.051 1.695 16 HB VAL 3 HB VAL 3 -5.430 0.132 2.379 17 HG11 VAL 3 1HG1 VAL 3 -4.337 -1.543 4.381 18 HG12 VAL 3 2HG1 VAL 3 -5.881 -0.687 4.392 19 HG13 VAL 3 3HG1 VAL 3 -5.786 -2.331 3.760 20 HG21 VAL 3 3HG2 VAL 3 -3.128 0.207 2.763 21 HG22 VAL 3 1HG2 VAL 3 -2.958 -1.544 2.648 22 HG23 VAL 3 2HG2 VAL 3 -3.263 -0.589 1.195 23 H GLU 4 H GLU 4 -3.936 -1.725 -0.557 24 HA GLU 4 HA GLU 4 -3.800 -0.779 -2.623 25 HB3 GLU 4 1HB GLU 4 -5.774 -0.477 -3.901 26 HG3 GLU 4 1HG GLU 4 -5.469 -2.803 -2.396 27 H GLN 5 H GLN 5 -3.836 0.811 -0.033 28 HA GLN 5 HA GLN 5 -4.617 3.446 -1.030 29 HB3 GLN 5 1HB GLN 5 -5.243 2.633 1.290 30 HG3 GLN 5 1HG GLN 5 -2.554 2.076 1.549 31 HE21 GLN 5 1HE2 GLN 5 -4.189 4.464 3.603 32 HE22 GLN 5 2HE2 GLN 5 -2.784 5.424 3.900 33 H CYS 6 H CYS 6 -2.204 1.826 -1.886 34 HA CYS 6 HA CYS 6 0.079 3.252 -0.902 35 HB3 CYS 6 1HB CYS 6 0.256 0.937 -1.714 36 HG CYS 6 HG CYS 6 -1.715 1.028 -3.803 37 H CYS 7 H CYS 7 -2.311 3.908 -3.214 38 HA CYS 7 HA CYS 7 -1.022 5.256 -5.236 39 HB3 CYS 7 1HB CYS 7 -3.240 6.827 -4.818 40 HG CYS 7 HG CYS 7 -4.787 4.858 -6.408 41 H THR 8 H THR 8 -1.403 6.179 -1.924 42 HA THR 8 HA THR 8 -0.931 8.964 -2.230 43 HB THR 8 HB THR 8 -0.701 9.073 0.127 44 HG1 THR 8 HG1 THR 8 -0.414 7.067 1.342 45 HG21 THR 8 3HG2 THR 8 -2.653 7.946 0.923 46 HG22 THR 8 1HG2 THR 8 -2.538 6.728 -0.347 47 HG23 THR 8 2HG2 THR 8 -2.952 8.393 -0.756 48 H SER 9 H SER 9 1.184 6.259 -1.287 49 HA SER 9 HA SER 9 3.428 7.133 -2.672 50 HB3 SER 9 1HB SER 9 3.138 8.278 0.075 51 HG SER 9 HG SER 9 5.070 7.670 0.596 52 H ILE 10 H ILE 10 2.581 5.787 0.515 53 HA ILE 10 HA ILE 10 4.689 3.931 0.638 54 HB ILE 10 HB ILE 10 3.520 4.452 2.652 55 HG13 ILE 10 1HG1 ILE 10 4.398 2.142 2.435 56 HG21 ILE 10 1HG2 ILE 10 1.354 4.938 2.539 57 HG22 ILE 10 2HG2 ILE 10 1.187 4.105 0.994 58 HG23 ILE 10 3HG2 ILE 10 1.036 3.204 2.503 59 HD11 ILE 10 3HD1 ILE 10 2.429 2.976 4.309 60 HD12 ILE 10 1HD1 ILE 10 2.191 1.267 3.949 61 HD13 ILE 10 2HD1 ILE 10 3.758 1.838 4.524 62 H CYS 11 H CYS 11 4.911 2.791 -1.268 63 HA CYS 11 HA CYS 11 2.752 0.872 -1.850 64 HB3 CYS 11 1HB CYS 11 2.924 2.492 -3.660 65 HG CYS 11 HG CYS 11 5.101 2.825 -5.392 66 H SER 12 H SER 12 5.722 1.155 -0.553 67 HA SER 12 HA SER 12 7.362 -0.728 -1.728 68 HB3 SER 12 1HB SER 12 8.113 -1.132 0.753 69 HG SER 12 HG SER 12 9.492 0.310 0.129 70 H LEU 13 H LEU 13 5.605 -1.489 1.268 71 HA LEU 13 HA LEU 13 5.443 -4.273 0.419 72 HB3 LEU 13 1HB LEU 13 5.042 -2.846 3.026 73 HG LEU 13 HG LEU 13 4.038 -5.559 2.353 74 HD11 LEU 13 1HD1 LEU 13 5.751 -6.304 3.747 75 HD12 LEU 13 2HD1 LEU 13 4.375 -6.115 4.833 76 HD13 LEU 13 3HD1 LEU 13 5.641 -4.890 4.795 77 HD21 LEU 13 3HD2 LEU 13 2.763 -4.747 4.579 78 HD22 LEU 13 1HD2 LEU 13 2.257 -4.308 2.945 79 HD23 LEU 13 2HD2 LEU 13 3.224 -3.183 3.899 80 H TYR 14 H TYR 14 3.431 -1.488 0.875 81 HA TYR 14 HA TYR 14 0.937 -2.828 1.056 82 HB3 TYR 14 1HB TYR 14 0.154 -0.475 0.131 83 HD1 TYR 14 HD2 TYR 14 2.173 -1.774 2.952 84 HD2 TYR 14 HD1 TYR 14 -1.000 0.796 1.754 85 HE1 TYR 14 HE2 TYR 14 1.550 -1.450 5.311 86 HE2 TYR 14 HE1 TYR 14 -1.629 1.129 4.108 87 HH TYR 14 HH TYR 14 -1.274 0.490 6.216 88 H GLN 15 H GLN 15 3.043 -2.067 -1.564 89 HA GLN 15 HA GLN 15 2.895 -2.319 -3.825 90 HB3 GLN 15 1HB GLN 15 1.890 -4.352 -4.591 91 HG3 GLN 15 1HG GLN 15 2.335 -5.565 -2.039 92 HE21 GLN 15 1HE2 GLN 15 1.826 -6.707 -4.346 93 HE22 GLN 15 2HE2 GLN 15 3.237 -7.403 -5.055 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -6.367 -8.662 -1.078 2 HA2 GLY 1 1HA GLY 1 -3.901 -7.111 -1.574 3 HA3 GLY 1 2HA GLY 1 -5.524 -6.460 -1.756 4 H ILE 2 H ILE 2 -3.671 -5.138 -0.228 5 HA ILE 2 HA ILE 2 -4.298 -5.796 2.556 6 HB ILE 2 HB ILE 2 -2.506 -3.528 1.809 7 HG13 ILE 2 1HG1 ILE 2 -2.029 -6.398 1.246 8 HG21 ILE 2 1HG2 ILE 2 -2.997 -5.289 4.121 9 HG22 ILE 2 2HG2 ILE 2 -1.318 -4.843 3.835 10 HG23 ILE 2 3HG2 ILE 2 -2.534 -3.588 4.066 11 HD11 ILE 2 3HD1 ILE 2 -0.264 -4.280 0.204 12 HD12 ILE 2 1HD1 ILE 2 -0.975 -5.674 -0.608 13 HD13 ILE 2 2HD1 ILE 2 -1.949 -4.232 -0.313 14 H VAL 3 H VAL 3 -4.642 -3.216 0.177 15 HA VAL 3 HA VAL 3 -7.039 -2.238 1.202 16 HB VAL 3 HB VAL 3 -5.905 -1.444 3.139 17 HG11 VAL 3 1HG1 VAL 3 -3.646 -1.422 2.707 18 HG12 VAL 3 2HG1 VAL 3 -3.836 -0.546 1.186 19 HG13 VAL 3 3HG1 VAL 3 -4.005 0.303 2.723 20 HG21 VAL 3 3HG2 VAL 3 -6.271 0.956 3.002 21 HG22 VAL 3 1HG2 VAL 3 -6.243 0.875 1.239 22 HG23 VAL 3 2HG2 VAL 3 -7.544 0.092 2.137 23 H GLU 4 H GLU 4 -4.106 -1.698 -0.588 24 HA GLU 4 HA GLU 4 -3.737 -0.780 -2.640 25 HB3 GLU 4 1HB GLU 4 -5.510 -0.525 -4.169 26 HG3 GLU 4 1HG GLU 4 -7.077 -2.382 -2.539 27 H GLN 5 H GLN 5 -3.696 0.785 -0.222 28 HA GLN 5 HA GLN 5 -4.613 3.417 -1.132 29 HB3 GLN 5 1HB GLN 5 -5.185 2.559 1.184 30 HG3 GLN 5 1HG GLN 5 -2.336 3.282 1.814 31 HE21 GLN 5 1HE2 GLN 5 -1.766 2.824 3.984 32 HE22 GLN 5 2HE2 GLN 5 -2.963 2.822 5.230 33 H CYS 6 H CYS 6 -2.126 1.779 -1.930 34 HA CYS 6 HA CYS 6 0.128 3.233 -0.996 35 HB3 CYS 6 1HB CYS 6 0.245 0.938 -1.951 36 HG CYS 6 HG CYS 6 -1.641 1.341 -4.127 37 H CYS 7 H CYS 7 -2.314 3.978 -3.218 38 HA CYS 7 HA CYS 7 -1.079 5.428 -5.206 39 HB3 CYS 7 1HB CYS 7 -3.299 6.961 -4.649 40 HG CYS 7 HG CYS 7 -4.021 4.061 -6.182 41 H THR 8 H THR 8 -1.366 6.183 -1.847 42 HA THR 8 HA THR 8 -0.889 8.988 -2.063 43 HB THR 8 HB THR 8 -0.720 9.032 0.290 44 HG1 THR 8 HG1 THR 8 0.693 7.537 0.930 45 HG21 THR 8 3HG2 THR 8 -2.521 6.695 -0.353 46 HG22 THR 8 1HG2 THR 8 -2.953 8.393 -0.553 47 HG23 THR 8 2HG2 THR 8 -2.632 7.748 1.057 48 H SER 9 H SER 9 1.172 6.222 -1.182 49 HA SER 9 HA SER 9 3.444 7.100 -2.515 50 HB3 SER 9 1HB SER 9 4.516 7.558 0.032 51 HG SER 9 HG SER 9 4.440 9.830 -0.876 52 H ILE 10 H ILE 10 2.508 5.657 0.601 53 HA ILE 10 HA ILE 10 4.594 3.783 0.733 54 HB ILE 10 HB ILE 10 3.366 4.204 2.721 55 HG13 ILE 10 1HG1 ILE 10 2.504 1.448 1.830 56 HG21 ILE 10 1HG2 ILE 10 1.059 3.898 0.959 57 HG22 ILE 10 2HG2 ILE 10 0.861 3.115 2.528 58 HG23 ILE 10 3HG2 ILE 10 1.238 4.836 2.442 59 HD11 ILE 10 3HD1 ILE 10 4.640 0.965 1.473 60 HD12 ILE 10 1HD1 ILE 10 5.186 2.499 2.144 61 HD13 ILE 10 2HD1 ILE 10 4.854 1.138 3.215 62 H CYS 11 H CYS 11 4.886 2.735 -1.221 63 HA CYS 11 HA CYS 11 2.755 0.840 -1.962 64 HB3 CYS 11 1HB CYS 11 3.012 2.557 -3.685 65 HG CYS 11 HG CYS 11 5.342 2.654 -5.398 66 H SER 12 H SER 12 5.793 1.158 -0.691 67 HA SER 12 HA SER 12 7.348 -0.797 -1.886 68 HB3 SER 12 1HB SER 12 8.457 0.472 -0.270 69 HG SER 12 HG SER 12 7.460 1.235 1.408 70 H LEU 13 H LEU 13 5.752 -1.375 1.238 71 HA LEU 13 HA LEU 13 5.611 -4.208 0.652 72 HB3 LEU 13 1HB LEU 13 4.982 -2.523 3.054 73 HG LEU 13 HG LEU 13 4.138 -5.332 2.614 74 HD11 LEU 13 1HD1 LEU 13 5.396 -4.340 5.165 75 HD12 LEU 13 2HD1 LEU 13 5.907 -5.710 4.179 76 HD13 LEU 13 3HD1 LEU 13 4.377 -5.776 5.055 77 HD21 LEU 13 3HD2 LEU 13 2.221 -4.330 3.126 78 HD22 LEU 13 1HD2 LEU 13 3.055 -2.849 3.595 79 HD23 LEU 13 2HD2 LEU 13 2.828 -4.142 4.772 80 H TYR 14 H TYR 14 3.491 -1.455 0.728 81 HA TYR 14 HA TYR 14 1.039 -2.901 0.829 82 HB3 TYR 14 1HB TYR 14 0.181 -0.646 -0.198 83 HD1 TYR 14 HD1 TYR 14 2.537 -1.070 2.682 84 HD2 TYR 14 HD2 TYR 14 -1.345 0.071 1.368 85 HE1 TYR 14 HE1 TYR 14 1.882 -0.632 5.011 86 HE2 TYR 14 HE2 TYR 14 -2.009 0.514 3.694 87 HH TYR 14 HH TYR 14 -0.339 -0.580 6.320 88 H GLN 15 H GLN 15 3.277 -2.113 -1.681 89 HA GLN 15 HA GLN 15 3.297 -2.464 -3.932 90 HB3 GLN 15 1HB GLN 15 2.114 -4.552 -4.681 91 HG3 GLN 15 1HG GLN 15 3.773 -4.796 -2.182 92 HE21 GLN 15 1HE2 GLN 15 5.190 -6.829 -2.471 93 HE22 GLN 15 2HE2 GLN 15 4.331 -8.277 -2.858 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -6.086 -7.958 -2.383 2 HA2 GLY 1 1HA GLY 1 -3.754 -7.580 -1.854 3 HA3 GLY 1 2HA GLY 1 -4.014 -5.871 -2.170 4 H ILE 2 H ILE 2 -3.695 -4.822 -0.321 5 HA ILE 2 HA ILE 2 -4.854 -5.948 2.141 6 HB ILE 2 HB ILE 2 -2.903 -3.712 2.283 7 HG13 ILE 2 1HG1 ILE 2 -2.298 -6.437 1.240 8 HG21 ILE 2 1HG2 ILE 2 -3.628 -6.114 3.919 9 HG22 ILE 2 2HG2 ILE 2 -2.133 -5.225 4.215 10 HG23 ILE 2 3HG2 ILE 2 -3.691 -4.408 4.362 11 HD11 ILE 2 3HD1 ILE 2 -0.419 -4.214 0.879 12 HD12 ILE 2 1HD1 ILE 2 -1.030 -5.392 -0.283 13 HD13 ILE 2 2HD1 ILE 2 -2.012 -3.992 0.155 14 H VAL 3 H VAL 3 -3.959 -2.675 1.048 15 HA VAL 3 HA VAL 3 -6.653 -1.774 1.830 16 HB VAL 3 HB VAL 3 -5.536 0.442 2.395 17 HG11 VAL 3 1HG1 VAL 3 -4.427 -1.095 4.494 18 HG12 VAL 3 2HG1 VAL 3 -5.989 -0.274 4.447 19 HG13 VAL 3 3HG1 VAL 3 -5.856 -1.952 3.915 20 HG21 VAL 3 3HG2 VAL 3 -3.249 0.595 2.700 21 HG22 VAL 3 1HG2 VAL 3 -3.044 -1.154 2.823 22 HG23 VAL 3 2HG2 VAL 3 -3.354 -0.411 1.254 23 H GLU 4 H GLU 4 -4.055 -1.669 -0.448 24 HA GLU 4 HA GLU 4 -3.905 -0.862 -2.570 25 HB3 GLU 4 1HB GLU 4 -5.892 -0.548 -3.844 26 HG3 GLU 4 1HG GLU 4 -7.277 -2.367 -2.077 27 H GLN 5 H GLN 5 -4.018 0.909 -0.035 28 HA GLN 5 HA GLN 5 -4.625 3.491 -1.255 29 HB3 GLN 5 1HB GLN 5 -4.418 4.417 0.965 30 HG3 GLN 5 1HG GLN 5 -5.911 1.808 0.988 31 HE21 GLN 5 1HE2 GLN 5 -7.452 1.536 2.630 32 HE22 GLN 5 2HE2 GLN 5 -7.279 2.308 4.167 33 H CYS 6 H CYS 6 -2.246 1.737 -1.894 34 HA CYS 6 HA CYS 6 0.061 3.081 -0.887 35 HB3 CYS 6 1HB CYS 6 0.195 0.768 -1.648 36 HG CYS 6 HG CYS 6 -0.694 -0.352 -3.778 37 H CYS 7 H CYS 7 -2.168 3.718 -3.409 38 HA CYS 7 HA CYS 7 -0.676 5.053 -5.305 39 HB3 CYS 7 1HB CYS 7 -3.043 6.560 -4.952 40 HG CYS 7 HG CYS 7 -1.992 5.876 -7.496 41 H THR 8 H THR 8 -1.423 6.004 -2.068 42 HA THR 8 HA THR 8 -0.994 8.796 -2.350 43 HB THR 8 HB THR 8 -0.971 8.920 0.024 44 HG1 THR 8 HG1 THR 8 0.449 7.384 0.685 45 HG21 THR 8 3HG2 THR 8 -2.961 7.711 0.652 46 HG22 THR 8 1HG2 THR 8 -2.732 6.565 -0.669 47 HG23 THR 8 2HG2 THR 8 -3.129 8.247 -1.019 48 H SER 9 H SER 9 1.100 6.159 -1.193 49 HA SER 9 HA SER 9 3.437 7.107 -2.370 50 HB3 SER 9 1HB SER 9 4.227 7.649 0.283 51 HG SER 9 HG SER 9 5.209 8.892 -1.123 52 H ILE 10 H ILE 10 2.234 5.631 0.628 53 HA ILE 10 HA ILE 10 4.409 3.854 0.966 54 HB ILE 10 HB ILE 10 3.030 4.316 2.860 55 HG13 ILE 10 1HG1 ILE 10 2.386 1.477 2.051 56 HG21 ILE 10 1HG2 ILE 10 0.615 2.954 2.364 57 HG22 ILE 10 2HG2 ILE 10 0.857 4.682 2.617 58 HG23 ILE 10 3HG2 ILE 10 0.897 4.014 0.985 59 HD11 ILE 10 3HD1 ILE 10 4.571 1.150 1.779 60 HD12 ILE 10 1HD1 ILE 10 4.989 2.705 2.493 61 HD13 ILE 10 2HD1 ILE 10 4.668 1.316 3.533 62 H CYS 11 H CYS 11 4.777 2.878 -1.053 63 HA CYS 11 HA CYS 11 2.799 0.814 -1.772 64 HB3 CYS 11 1HB CYS 11 2.874 2.502 -3.518 65 HG CYS 11 HG CYS 11 4.844 3.954 -4.260 66 H SER 12 H SER 12 5.671 1.256 -0.346 67 HA SER 12 HA SER 12 7.503 -0.428 -1.550 68 HB3 SER 12 1HB SER 12 8.149 -0.896 0.980 69 HG SER 12 HG SER 12 8.961 1.374 0.987 70 H LEU 13 H LEU 13 5.445 -1.376 1.206 71 HA LEU 13 HA LEU 13 5.710 -4.168 0.399 72 HB3 LEU 13 1HB LEU 13 4.751 -2.786 2.879 73 HG LEU 13 HG LEU 13 4.137 -5.584 2.098 74 HD11 LEU 13 1HD1 LEU 13 4.083 -5.836 4.775 75 HD12 LEU 13 2HD1 LEU 13 5.509 -4.813 4.590 76 HD13 LEU 13 3HD1 LEU 13 5.428 -6.372 3.768 77 HD21 LEU 13 3HD2 LEU 13 2.841 -3.284 3.372 78 HD22 LEU 13 1HD2 LEU 13 2.476 -4.839 4.123 79 HD23 LEU 13 2HD2 LEU 13 2.150 -4.589 2.406 80 H TYR 14 H TYR 14 3.414 -1.590 0.401 81 HA TYR 14 HA TYR 14 1.142 -3.350 -0.015 82 HB3 TYR 14 1HB TYR 14 -0.148 -1.233 -0.192 83 HD1 TYR 14 HD2 TYR 14 2.734 -0.748 2.119 84 HD2 TYR 14 HD1 TYR 14 -1.362 -1.822 1.706 85 HE1 TYR 14 HE2 TYR 14 2.509 -0.804 4.568 86 HE2 TYR 14 HE1 TYR 14 -1.600 -1.880 4.154 87 HH TYR 14 HH TYR 14 0.860 -0.693 6.267 88 H GLN 15 H GLN 15 3.591 -2.620 -1.913 89 HA GLN 15 HA GLN 15 3.965 -2.457 -4.153 90 HB3 GLN 15 1HB GLN 15 2.449 -3.702 -5.595 91 HG3 GLN 15 1HG GLN 15 2.359 -5.840 -4.498 92 HE21 GLN 15 1HE2 GLN 15 4.540 -5.256 -2.151 93 HE22 GLN 15 2HE2 GLN 15 6.000 -5.324 -3.072 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -5.379 -8.603 -2.237 2 HA2 GLY 1 1HA GLY 1 -3.463 -6.388 -1.980 3 HA3 GLY 1 2HA GLY 1 -5.178 -6.223 -2.331 4 H ILE 2 H ILE 2 -3.687 -4.825 -0.312 5 HA ILE 2 HA ILE 2 -4.852 -5.947 2.147 6 HB ILE 2 HB ILE 2 -2.901 -3.710 2.289 7 HG13 ILE 2 1HG1 ILE 2 -2.296 -6.438 1.253 8 HG21 ILE 2 1HG2 ILE 2 -3.686 -4.396 4.369 9 HG22 ILE 2 2HG2 ILE 2 -3.642 -6.102 3.931 10 HG23 ILE 2 3HG2 ILE 2 -2.138 -5.228 4.224 11 HD11 ILE 2 3HD1 ILE 2 -0.414 -4.215 0.894 12 HD12 ILE 2 1HD1 ILE 2 -1.022 -5.394 -0.268 13 HD13 ILE 2 2HD1 ILE 2 -2.003 -3.993 0.164 14 H VAL 3 H VAL 3 -3.957 -2.675 1.050 15 HA VAL 3 HA VAL 3 -6.654 -1.775 1.827 16 HB VAL 3 HB VAL 3 -5.538 0.441 2.394 17 HG11 VAL 3 1HG1 VAL 3 -4.662 -0.533 4.633 18 HG12 VAL 3 2HG1 VAL 3 -6.368 -0.719 4.221 19 HG13 VAL 3 3HG1 VAL 3 -5.255 -2.068 3.999 20 HG21 VAL 3 3HG2 VAL 3 -3.037 -1.054 2.941 21 HG22 VAL 3 1HG2 VAL 3 -3.337 -0.554 1.277 22 HG23 VAL 3 2HG2 VAL 3 -3.280 0.651 2.564 23 H GLU 4 H GLU 4 -4.052 -1.673 -0.446 24 HA GLU 4 HA GLU 4 -3.897 -0.866 -2.568 25 HB3 GLU 4 1HB GLU 4 -5.892 -0.529 -3.841 26 HG3 GLU 4 1HG GLU 4 -5.617 -2.809 -2.203 27 H GLN 5 H GLN 5 -4.015 0.907 -0.036 28 HA GLN 5 HA GLN 5 -4.624 3.487 -1.260 29 HB3 GLN 5 1HB GLN 5 -4.417 4.415 0.961 30 HG3 GLN 5 1HG GLN 5 -5.914 1.809 0.986 31 HE21 GLN 5 1HE2 GLN 5 -8.004 2.365 2.399 32 HE22 GLN 5 2HE2 GLN 5 -7.623 2.823 4.021 33 H CYS 6 H CYS 6 -2.242 1.734 -1.894 34 HA CYS 6 HA CYS 6 0.062 3.080 -0.887 35 HB3 CYS 6 1HB CYS 6 0.196 0.767 -1.649 36 HG CYS 6 HG CYS 6 0.486 0.776 -4.795 37 H CYS 7 H CYS 7 -2.165 3.715 -3.411 38 HA CYS 7 HA CYS 7 -0.674 5.051 -5.305 39 HB3 CYS 7 1HB CYS 7 -2.964 6.584 -5.132 40 HG CYS 7 HG CYS 7 -3.525 5.779 -7.502 41 H THR 8 H THR 8 -1.423 6.003 -2.068 42 HA THR 8 HA THR 8 -0.994 8.794 -2.350 43 HB THR 8 HB THR 8 -0.972 8.917 0.025 44 HG1 THR 8 HG1 THR 8 -0.626 6.092 0.132 45 HG21 THR 8 3HG2 THR 8 -3.129 8.248 -1.021 46 HG22 THR 8 1HG2 THR 8 -2.963 7.712 0.652 47 HG23 THR 8 2HG2 THR 8 -2.732 6.566 -0.669 48 H SER 9 H SER 9 1.100 6.158 -1.193 49 HA SER 9 HA SER 9 3.438 7.108 -2.369 50 HB3 SER 9 1HB SER 9 4.228 7.651 0.282 51 HG SER 9 HG SER 9 5.197 8.988 -1.012 52 H ILE 10 H ILE 10 2.234 5.631 0.630 53 HA ILE 10 HA ILE 10 4.410 3.855 0.967 54 HB ILE 10 HB ILE 10 3.031 4.316 2.862 55 HG13 ILE 10 1HG1 ILE 10 2.390 1.477 2.049 56 HG21 ILE 10 1HG2 ILE 10 0.875 4.743 2.526 57 HG22 ILE 10 2HG2 ILE 10 0.884 3.905 0.977 58 HG23 ILE 10 3HG2 ILE 10 0.615 3.002 2.465 59 HD11 ILE 10 3HD1 ILE 10 4.990 2.709 2.497 60 HD12 ILE 10 1HD1 ILE 10 4.669 1.323 3.538 61 HD13 ILE 10 2HD1 ILE 10 4.575 1.151 1.785 62 H CYS 11 H CYS 11 4.779 2.877 -1.052 63 HA CYS 11 HA CYS 11 2.803 0.812 -1.769 64 HB3 CYS 11 1HB CYS 11 2.879 2.502 -3.514 65 HG CYS 11 HG CYS 11 5.032 3.191 -5.123 66 H SER 12 H SER 12 5.675 1.256 -0.342 67 HA SER 12 HA SER 12 7.508 -0.425 -1.547 68 HB3 SER 12 1HB SER 12 8.147 -0.896 0.988 69 HG SER 12 HG SER 12 8.272 1.629 -0.298 70 H LEU 13 H LEU 13 5.427 -1.373 1.193 71 HA LEU 13 HA LEU 13 5.700 -4.166 0.384 72 HB3 LEU 13 1HB LEU 13 4.741 -2.791 2.869 73 HG LEU 13 HG LEU 13 4.131 -5.587 2.082 74 HD11 LEU 13 1HD1 LEU 13 5.433 -6.374 3.747 75 HD12 LEU 13 2HD1 LEU 13 4.080 -5.856 4.753 76 HD13 LEU 13 3HD1 LEU 13 5.497 -4.819 4.580 77 HD21 LEU 13 3HD2 LEU 13 2.148 -4.578 2.385 78 HD22 LEU 13 1HD2 LEU 13 2.837 -3.297 3.381 79 HD23 LEU 13 2HD2 LEU 13 2.463 -4.864 4.098 80 H TYR 14 H TYR 14 3.402 -1.588 0.408 81 HA TYR 14 HA TYR 14 1.131 -3.346 -0.019 82 HB3 TYR 14 1HB TYR 14 -0.161 -1.233 -0.175 83 HD1 TYR 14 HD2 TYR 14 2.728 -0.732 2.122 84 HD2 TYR 14 HD1 TYR 14 -1.360 -1.850 1.727 85 HE1 TYR 14 HE2 TYR 14 2.515 -0.800 4.572 86 HE2 TYR 14 HE1 TYR 14 -1.583 -1.920 4.176 87 HH TYR 14 HH TYR 14 0.732 -2.209 6.227 88 H GLN 15 H GLN 15 3.578 -2.597 -1.914 89 HA GLN 15 HA GLN 15 3.949 -2.424 -4.154 90 HB3 GLN 15 1HB GLN 15 2.229 -3.542 -5.612 91 HG3 GLN 15 1HG GLN 15 2.420 -5.513 -3.490 92 HE21 GLN 15 1HE2 GLN 15 1.365 -6.630 -5.185 93 HE22 GLN 15 2HE2 GLN 15 2.254 -7.224 -6.542 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -3.986 -8.792 -1.762 2 HA2 GLY 1 1HA GLY 1 -3.549 -6.379 -2.035 3 HA3 GLY 1 2HA GLY 1 -5.267 -6.195 -2.351 4 H ILE 2 H ILE 2 -3.729 -4.817 -0.359 5 HA ILE 2 HA ILE 2 -4.850 -5.940 2.121 6 HB ILE 2 HB ILE 2 -2.885 -3.712 2.226 7 HG13 ILE 2 1HG1 ILE 2 -2.317 -6.441 1.176 8 HG21 ILE 2 1HG2 ILE 2 -2.092 -5.262 4.140 9 HG22 ILE 2 2HG2 ILE 2 -3.606 -4.380 4.325 10 HG23 ILE 2 3HG2 ILE 2 -3.629 -6.087 3.885 11 HD11 ILE 2 3HD1 ILE 2 -0.428 -4.230 0.785 12 HD12 ILE 2 1HD1 ILE 2 -1.065 -5.404 -0.367 13 HD13 ILE 2 2HD1 ILE 2 -2.031 -3.998 0.085 14 H VAL 3 H VAL 3 -3.964 -2.667 1.016 15 HA VAL 3 HA VAL 3 -6.642 -1.759 1.845 16 HB VAL 3 HB VAL 3 -5.504 0.449 2.404 17 HG11 VAL 3 1HG1 VAL 3 -5.669 -0.166 4.545 18 HG12 VAL 3 2HG1 VAL 3 -6.060 -1.773 3.930 19 HG13 VAL 3 3HG1 VAL 3 -4.402 -1.380 4.382 20 HG21 VAL 3 3HG2 VAL 3 -3.209 0.579 2.700 21 HG22 VAL 3 1HG2 VAL 3 -3.018 -1.172 2.774 22 HG23 VAL 3 2HG2 VAL 3 -3.346 -0.386 1.231 23 H GLU 4 H GLU 4 -4.073 -1.649 -0.466 24 HA GLU 4 HA GLU 4 -3.949 -0.833 -2.587 25 HB3 GLU 4 1HB GLU 4 -5.958 -0.491 -3.830 26 HG3 GLU 4 1HG GLU 4 -5.671 -2.772 -2.207 27 H GLN 5 H GLN 5 -4.028 0.926 -0.040 28 HA GLN 5 HA GLN 5 -4.635 3.516 -1.248 29 HB3 GLN 5 1HB GLN 5 -4.416 4.432 0.977 30 HG3 GLN 5 1HG GLN 5 -5.914 1.825 1.012 31 HE21 GLN 5 1HE2 GLN 5 -7.591 1.703 2.610 32 HE22 GLN 5 2HE2 GLN 5 -7.371 2.449 4.152 33 H CYS 6 H CYS 6 -2.266 1.755 -1.903 34 HA CYS 6 HA CYS 6 0.049 3.085 -0.899 35 HB3 CYS 6 1HB CYS 6 0.162 0.771 -1.674 36 HG CYS 6 HG CYS 6 -0.872 -0.286 -3.760 37 H CYS 7 H CYS 7 -2.185 3.738 -3.413 38 HA CYS 7 HA CYS 7 -0.692 5.075 -5.307 39 HB3 CYS 7 1HB CYS 7 -3.090 6.565 -4.869 40 HG CYS 7 HG CYS 7 -4.121 5.552 -7.241 41 H THR 8 H THR 8 -1.430 6.017 -2.064 42 HA THR 8 HA THR 8 -0.993 8.809 -2.339 43 HB THR 8 HB THR 8 -0.970 8.926 0.035 44 HG1 THR 8 HG1 THR 8 0.346 7.436 0.847 45 HG21 THR 8 3HG2 THR 8 -3.130 8.258 -1.012 46 HG22 THR 8 1HG2 THR 8 -2.963 7.724 0.660 47 HG23 THR 8 2HG2 THR 8 -2.735 6.576 -0.658 48 H SER 9 H SER 9 1.093 6.161 -1.191 49 HA SER 9 HA SER 9 3.433 7.103 -2.367 50 HB3 SER 9 1HB SER 9 4.269 7.648 0.251 51 HG SER 9 HG SER 9 3.552 9.724 -1.486 52 H ILE 10 H ILE 10 2.214 5.619 0.620 53 HA ILE 10 HA ILE 10 4.387 3.838 0.961 54 HB ILE 10 HB ILE 10 3.001 4.296 2.851 55 HG13 ILE 10 1HG1 ILE 10 2.356 1.461 2.033 56 HG21 ILE 10 1HG2 ILE 10 0.874 3.987 0.964 57 HG22 ILE 10 2HG2 ILE 10 0.587 2.941 2.352 58 HG23 ILE 10 3HG2 ILE 10 0.830 4.672 2.587 59 HD11 ILE 10 3HD1 ILE 10 4.541 1.135 1.758 60 HD12 ILE 10 1HD1 ILE 10 4.961 2.685 2.487 61 HD13 ILE 10 2HD1 ILE 10 4.634 1.287 3.512 62 H CYS 11 H CYS 11 4.755 2.874 -1.069 63 HA CYS 11 HA CYS 11 2.781 0.811 -1.794 64 HB3 CYS 11 1HB CYS 11 2.851 2.509 -3.530 65 HG CYS 11 HG CYS 11 4.810 3.791 -4.634 66 H SER 12 H SER 12 5.645 1.243 -0.358 67 HA SER 12 HA SER 12 7.473 -0.443 -1.585 68 HB3 SER 12 1HB SER 12 8.266 -0.854 0.851 69 HG SER 12 HG SER 12 9.138 1.206 0.896 70 H LEU 13 H LEU 13 5.558 -1.393 1.267 71 HA LEU 13 HA LEU 13 5.792 -4.181 0.486 72 HB3 LEU 13 1HB LEU 13 4.794 -2.756 2.926 73 HG LEU 13 HG LEU 13 4.222 -5.577 2.202 74 HD11 LEU 13 1HD1 LEU 13 5.987 -5.532 4.056 75 HD12 LEU 13 2HD1 LEU 13 4.506 -6.442 4.347 76 HD13 LEU 13 3HD1 LEU 13 4.713 -4.845 5.066 77 HD21 LEU 13 3HD2 LEU 13 2.210 -4.645 2.492 78 HD22 LEU 13 1HD2 LEU 13 2.876 -3.261 3.359 79 HD23 LEU 13 2HD2 LEU 13 2.552 -4.764 4.219 80 H TYR 14 H TYR 14 3.470 -1.627 0.418 81 HA TYR 14 HA TYR 14 1.220 -3.419 0.013 82 HB3 TYR 14 1HB TYR 14 -0.088 -1.318 -0.216 83 HD1 TYR 14 HD2 TYR 14 2.761 -0.775 2.121 84 HD2 TYR 14 HD1 TYR 14 -1.323 -1.881 1.677 85 HE1 TYR 14 HE2 TYR 14 2.507 -0.795 4.567 86 HE2 TYR 14 HE1 TYR 14 -1.589 -1.903 4.122 87 HH TYR 14 HH TYR 14 0.925 -1.979 6.244 88 H GLN 15 H GLN 15 3.679 -2.696 -1.875 89 HA GLN 15 HA GLN 15 4.071 -2.540 -4.114 90 HB3 GLN 15 1HB GLN 15 2.609 -3.865 -5.549 91 HG3 GLN 15 1HG GLN 15 2.779 -5.203 -2.859 92 HE21 GLN 15 1HE2 GLN 15 4.401 -7.106 -4.684 93 HE22 GLN 15 2HE2 GLN 15 3.177 -8.112 -5.373 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -3.851 -8.701 -2.358 2 HA2 GLY 1 1HA GLY 1 -3.482 -6.231 -2.600 3 HA3 GLY 1 2HA GLY 1 -5.228 -6.118 -2.766 4 H ILE 2 H ILE 2 -3.599 -4.779 -0.820 5 HA ILE 2 HA ILE 2 -4.461 -6.102 1.666 6 HB ILE 2 HB ILE 2 -2.592 -3.796 1.757 7 HG13 ILE 2 1HG1 ILE 2 -1.993 -6.428 0.496 8 HG21 ILE 2 1HG2 ILE 2 -3.208 -4.687 3.845 9 HG22 ILE 2 2HG2 ILE 2 -2.992 -6.346 3.291 10 HG23 ILE 2 3HG2 ILE 2 -1.587 -5.308 3.535 11 HD11 ILE 2 3HD1 ILE 2 -0.240 -4.112 0.087 12 HD12 ILE 2 1HD1 ILE 2 -0.930 -5.242 -1.079 13 HD13 ILE 2 2HD1 ILE 2 -1.904 -3.910 -0.458 14 H VAL 3 H VAL 3 -3.802 -2.732 0.709 15 HA VAL 3 HA VAL 3 -6.451 -2.004 1.780 16 HB VAL 3 HB VAL 3 -5.336 0.223 2.398 17 HG11 VAL 3 1HG1 VAL 3 -4.878 -0.528 4.585 18 HG12 VAL 3 2HG1 VAL 3 -6.096 -1.637 3.953 19 HG13 VAL 3 3HG1 VAL 3 -4.403 -2.129 4.020 20 HG21 VAL 3 3HG2 VAL 3 -3.009 0.303 2.712 21 HG22 VAL 3 1HG2 VAL 3 -2.835 -1.437 2.490 22 HG23 VAL 3 2HG2 VAL 3 -3.226 -0.407 1.113 23 H GLU 4 H GLU 4 -4.067 -1.650 -0.690 24 HA GLU 4 HA GLU 4 -4.120 -0.685 -2.749 25 HB3 GLU 4 1HB GLU 4 -6.224 -0.306 -3.812 26 HG3 GLU 4 1HG GLU 4 -7.401 -2.316 -2.104 27 H GLN 5 H GLN 5 -4.036 0.890 -0.086 28 HA GLN 5 HA GLN 5 -4.740 3.545 -1.097 29 HB3 GLN 5 1HB GLN 5 -5.444 2.768 1.210 30 HG3 GLN 5 1HG GLN 5 -2.803 2.084 1.535 31 HE21 GLN 5 1HE2 GLN 5 -4.361 4.821 3.176 32 HE22 GLN 5 2HE2 GLN 5 -2.891 5.620 3.605 33 H CYS 6 H CYS 6 -2.357 1.836 -1.882 34 HA CYS 6 HA CYS 6 -0.056 3.197 -0.859 35 HB3 CYS 6 1HB CYS 6 0.033 0.863 -1.672 36 HG CYS 6 HG CYS 6 -1.023 -0.048 -3.818 37 H CYS 7 H CYS 7 -2.372 3.919 -3.222 38 HA CYS 7 HA CYS 7 -0.996 5.212 -5.226 39 HB3 CYS 7 1HB CYS 7 -3.420 4.900 -5.269 40 HG CYS 7 HG CYS 7 -3.522 5.991 -2.320 41 H THR 8 H THR 8 -1.413 6.166 -1.927 42 HA THR 8 HA THR 8 -0.860 8.932 -2.223 43 HB THR 8 HB THR 8 -0.618 9.024 0.142 44 HG1 THR 8 HG1 THR 8 0.746 7.428 0.713 45 HG21 THR 8 3HG2 THR 8 -2.891 8.432 -0.763 46 HG22 THR 8 1HG2 THR 8 -2.620 7.979 0.920 47 HG23 THR 8 2HG2 THR 8 -2.545 6.755 -0.347 48 H SER 9 H SER 9 1.191 6.185 -1.249 49 HA SER 9 HA SER 9 3.457 6.987 -2.639 50 HB3 SER 9 1HB SER 9 3.183 8.191 0.084 51 HG SER 9 HG SER 9 5.228 7.928 0.567 52 H ILE 10 H ILE 10 2.457 5.652 0.498 53 HA ILE 10 HA ILE 10 4.561 3.783 0.715 54 HB ILE 10 HB ILE 10 3.346 4.329 2.692 55 HG13 ILE 10 1HG1 ILE 10 2.504 1.518 1.966 56 HG21 ILE 10 1HG2 ILE 10 1.198 4.875 2.491 57 HG22 ILE 10 2HG2 ILE 10 1.050 4.004 0.966 58 HG23 ILE 10 3HG2 ILE 10 0.839 3.148 2.493 59 HD11 ILE 10 3HD1 ILE 10 5.182 2.616 2.213 60 HD12 ILE 10 1HD1 ILE 10 4.866 1.288 3.330 61 HD13 ILE 10 2HD1 ILE 10 4.646 1.055 1.596 62 H CYS 11 H CYS 11 4.782 2.700 -1.251 63 HA CYS 11 HA CYS 11 2.657 0.741 -1.819 64 HB3 CYS 11 1HB CYS 11 2.753 2.392 -3.610 65 HG CYS 11 HG CYS 11 5.295 2.002 -5.358 66 H SER 12 H SER 12 5.726 1.149 -0.695 67 HA SER 12 HA SER 12 7.306 -0.753 -1.919 68 HB3 SER 12 1HB SER 12 8.377 -1.006 0.389 69 HG SER 12 HG SER 12 8.656 1.515 0.357 70 H LEU 13 H LEU 13 5.828 -1.422 1.241 71 HA LEU 13 HA LEU 13 5.679 -4.242 0.549 72 HB3 LEU 13 1HB LEU 13 5.330 -2.682 3.087 73 HG LEU 13 HG LEU 13 4.433 -5.471 2.607 74 HD11 LEU 13 1HD1 LEU 13 6.123 -6.161 3.986 75 HD12 LEU 13 2HD1 LEU 13 4.893 -5.742 5.176 76 HD13 LEU 13 3HD1 LEU 13 6.211 -4.619 4.837 77 HD21 LEU 13 3HD2 LEU 13 3.252 -4.541 4.872 78 HD22 LEU 13 1HD2 LEU 13 2.604 -4.339 3.244 79 HD23 LEU 13 2HD2 LEU 13 3.540 -3.041 3.986 80 H TYR 14 H TYR 14 3.618 -1.496 0.819 81 HA TYR 14 HA TYR 14 1.189 -3.074 1.017 82 HB3 TYR 14 1HB TYR 14 0.066 -0.831 0.851 83 HD1 TYR 14 HD2 TYR 14 3.308 -0.774 2.708 84 HD2 TYR 14 HD1 TYR 14 -0.934 -1.007 2.928 85 HE1 TYR 14 HE2 TYR 14 3.439 -0.706 5.162 86 HE2 TYR 14 HE1 TYR 14 -0.815 -0.939 5.383 87 HH TYR 14 HH TYR 14 0.501 -0.737 7.160 88 H GLN 15 H GLN 15 3.238 -2.702 -1.388 89 HA GLN 15 HA GLN 15 3.136 -2.852 -3.656 90 HB3 GLN 15 1HB GLN 15 1.116 -3.823 -4.646 91 HG3 GLN 15 1HG GLN 15 1.925 -5.027 -2.018 92 HE21 GLN 15 1HE2 GLN 15 1.133 -6.996 -1.450 93 HE22 GLN 15 2HE2 GLN 15 -0.227 -7.740 -2.214 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -6.847 -7.183 -1.984 2 HA2 GLY 1 1HA GLY 1 -4.121 -7.412 -2.221 3 HA3 GLY 1 2HA GLY 1 -4.444 -5.699 -2.453 4 H ILE 2 H ILE 2 -3.881 -4.686 -0.642 5 HA ILE 2 HA ILE 2 -4.656 -5.888 1.931 6 HB ILE 2 HB ILE 2 -2.722 -3.635 1.849 7 HG13 ILE 2 1HG1 ILE 2 -2.251 -6.326 0.660 8 HG21 ILE 2 1HG2 ILE 2 -1.670 -5.235 3.593 9 HG22 ILE 2 2HG2 ILE 2 -3.150 -4.367 4.002 10 HG23 ILE 2 3HG2 ILE 2 -3.226 -6.062 3.521 11 HD11 ILE 2 3HD1 ILE 2 -0.469 -4.070 0.080 12 HD12 ILE 2 1HD1 ILE 2 -1.232 -5.228 -1.007 13 HD13 ILE 2 2HD1 ILE 2 -2.152 -3.853 -0.396 14 H VAL 3 H VAL 3 -3.946 -2.578 0.816 15 HA VAL 3 HA VAL 3 -6.526 -1.731 1.963 16 HB VAL 3 HB VAL 3 -5.356 0.464 2.503 17 HG11 VAL 3 1HG1 VAL 3 -5.094 -2.117 3.923 18 HG12 VAL 3 2HG1 VAL 3 -4.115 -0.777 4.522 19 HG13 VAL 3 3HG1 VAL 3 -5.869 -0.615 4.429 20 HG21 VAL 3 3HG2 VAL 3 -3.179 0.738 2.114 21 HG22 VAL 3 1HG2 VAL 3 -2.782 -0.794 2.895 22 HG23 VAL 3 2HG2 VAL 3 -3.232 -0.763 1.190 23 H GLU 4 H GLU 4 -4.254 -1.569 -0.616 24 HA GLU 4 HA GLU 4 -4.355 -0.670 -2.704 25 HB3 GLU 4 1HB GLU 4 -6.492 -0.215 -3.680 26 HG3 GLU 4 1HG GLU 4 -6.071 -2.583 -2.191 27 H GLN 5 H GLN 5 -4.068 0.989 -0.114 28 HA GLN 5 HA GLN 5 -4.653 3.637 -1.240 29 HB3 GLN 5 1HB GLN 5 -4.423 4.507 0.995 30 HG3 GLN 5 1HG GLN 5 -5.852 2.357 2.107 31 HE21 GLN 5 1HE2 GLN 5 -7.111 3.490 3.382 32 HE22 GLN 5 2HE2 GLN 5 -7.934 4.953 2.976 33 H CYS 6 H CYS 6 -2.373 1.796 -1.936 34 HA CYS 6 HA CYS 6 -0.005 3.015 -0.890 35 HB3 CYS 6 1HB CYS 6 0.019 0.694 -1.650 36 HG CYS 6 HG CYS 6 -1.208 1.953 -4.501 37 H CYS 7 H CYS 7 -2.164 3.700 -3.479 38 HA CYS 7 HA CYS 7 -0.568 4.995 -5.321 39 HB3 CYS 7 1HB CYS 7 -2.739 6.528 -5.503 40 HG CYS 7 HG CYS 7 -4.212 4.091 -6.640 41 H THR 8 H THR 8 -1.435 5.970 -2.125 42 HA THR 8 HA THR 8 -0.984 8.757 -2.396 43 HB THR 8 HB THR 8 -1.027 8.880 -0.021 44 HG1 THR 8 HG1 THR 8 0.350 7.344 0.703 45 HG21 THR 8 3HG2 THR 8 -2.777 6.524 -0.712 46 HG22 THR 8 1HG2 THR 8 -3.148 8.186 -1.170 47 HG23 THR 8 2HG2 THR 8 -3.054 7.741 0.534 48 H SER 9 H SER 9 1.070 6.114 -1.182 49 HA SER 9 HA SER 9 3.442 7.064 -2.288 50 HB3 SER 9 1HB SER 9 2.804 8.136 0.434 51 HG SER 9 HG SER 9 4.670 7.144 0.948 52 H ILE 10 H ILE 10 2.098 5.539 0.617 53 HA ILE 10 HA ILE 10 4.277 3.767 1.027 54 HB ILE 10 HB ILE 10 2.830 4.231 2.877 55 HG13 ILE 10 1HG1 ILE 10 2.220 1.386 2.067 56 HG21 ILE 10 1HG2 ILE 10 0.756 3.837 0.924 57 HG22 ILE 10 2HG2 ILE 10 0.446 2.867 2.362 58 HG23 ILE 10 3HG2 ILE 10 0.673 4.610 2.506 59 HD11 ILE 10 3HD1 ILE 10 4.417 1.107 1.773 60 HD12 ILE 10 1HD1 ILE 10 4.823 2.625 2.572 61 HD13 ILE 10 2HD1 ILE 10 4.483 1.186 3.534 62 H CYS 11 H CYS 11 4.659 2.871 -1.056 63 HA CYS 11 HA CYS 11 2.740 0.758 -1.787 64 HB3 CYS 11 1HB CYS 11 2.720 2.473 -3.503 65 HG CYS 11 HG CYS 11 5.814 2.059 -4.657 66 H SER 12 H SER 12 5.648 1.305 -0.434 67 HA SER 12 HA SER 12 7.504 -0.301 -1.693 68 HB3 SER 12 1HB SER 12 8.464 0.760 0.094 69 HG SER 12 HG SER 12 7.408 0.982 2.113 70 H LEU 13 H LEU 13 5.821 -1.445 1.221 71 HA LEU 13 HA LEU 13 6.035 -4.177 0.251 72 HB3 LEU 13 1HB LEU 13 5.293 -2.918 2.865 73 HG LEU 13 HG LEU 13 4.645 -5.696 2.041 74 HD11 LEU 13 1HD1 LEU 13 4.863 -6.202 4.599 75 HD12 LEU 13 2HD1 LEU 13 6.112 -4.960 4.527 76 HD13 LEU 13 3HD1 LEU 13 6.247 -6.403 3.523 77 HD21 LEU 13 3HD2 LEU 13 3.178 -3.588 2.878 78 HD22 LEU 13 1HD2 LEU 13 3.453 -4.419 4.408 79 HD23 LEU 13 2HD2 LEU 13 2.688 -5.272 3.067 80 H TYR 14 H TYR 14 3.632 -1.709 0.714 81 HA TYR 14 HA TYR 14 1.366 -3.447 0.541 82 HB3 TYR 14 1HB TYR 14 0.122 -1.274 0.147 83 HD1 TYR 14 HD1 TYR 14 3.047 -0.948 2.443 84 HD2 TYR 14 HD2 TYR 14 -1.143 -1.582 2.065 85 HE1 TYR 14 HE1 TYR 14 2.819 -0.861 4.890 86 HE2 TYR 14 HE2 TYR 14 -1.382 -1.496 4.511 87 HH TYR 14 HH TYR 14 1.442 -1.045 6.619 88 H GLN 15 H GLN 15 3.519 -2.061 -1.725 89 HA GLN 15 HA GLN 15 3.651 -2.153 -3.994 90 HB3 GLN 15 1HB GLN 15 2.536 -3.927 -5.152 91 HG3 GLN 15 1HG GLN 15 2.849 -5.892 -3.700 92 HE21 GLN 15 1HE2 GLN 15 5.160 -5.115 -1.830 93 HE22 GLN 15 2HE2 GLN 15 6.485 -4.881 -2.913 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -4.228 -8.708 -2.337 2 HA2 GLY 1 1HA GLY 1 -3.737 -6.307 -2.514 3 HA3 GLY 1 2HA GLY 1 -5.471 -6.044 -2.633 4 H ILE 2 H ILE 2 -3.726 -4.795 -0.761 5 HA ILE 2 HA ILE 2 -4.563 -6.035 1.775 6 HB ILE 2 HB ILE 2 -2.600 -3.800 1.748 7 HG13 ILE 2 1HG1 ILE 2 -2.156 -6.488 0.541 8 HG21 ILE 2 1HG2 ILE 2 -3.152 -4.584 3.884 9 HG22 ILE 2 2HG2 ILE 2 -3.089 -6.273 3.376 10 HG23 ILE 2 3HG2 ILE 2 -1.599 -5.340 3.526 11 HD11 ILE 2 3HD1 ILE 2 -0.313 -4.268 0.023 12 HD12 ILE 2 1HD1 ILE 2 -1.092 -5.388 -1.094 13 HD13 ILE 2 2HD1 ILE 2 -1.982 -3.997 -0.475 14 H VAL 3 H VAL 3 -3.819 -2.708 0.730 15 HA VAL 3 HA VAL 3 -6.392 -1.863 1.889 16 HB VAL 3 HB VAL 3 -5.196 0.324 2.437 17 HG11 VAL 3 1HG1 VAL 3 -5.338 -0.448 4.514 18 HG12 VAL 3 2HG1 VAL 3 -5.477 -2.085 3.870 19 HG13 VAL 3 3HG1 VAL 3 -3.892 -1.431 4.281 20 HG21 VAL 3 3HG2 VAL 3 -3.169 -0.410 1.027 21 HG22 VAL 3 1HG2 VAL 3 -2.870 0.408 2.561 22 HG23 VAL 3 2HG2 VAL 3 -2.704 -1.345 2.449 23 H GLU 4 H GLU 4 -4.067 -1.602 -0.660 24 HA GLU 4 HA GLU 4 -4.162 -0.669 -2.735 25 HB3 GLU 4 1HB GLU 4 -6.274 -0.321 -3.761 26 HG3 GLU 4 1HG GLU 4 -7.455 -2.211 -1.910 27 H GLN 5 H GLN 5 -3.994 0.947 -0.101 28 HA GLN 5 HA GLN 5 -4.694 3.593 -1.137 29 HB3 GLN 5 1HB GLN 5 -4.367 4.402 1.118 30 HG3 GLN 5 1HG GLN 5 -5.837 1.778 1.216 31 HE21 GLN 5 1HE2 GLN 5 -4.471 2.203 3.410 32 HE22 GLN 5 2HE2 GLN 5 -5.445 2.878 4.668 33 H CYS 6 H CYS 6 -2.329 1.808 -1.897 34 HA CYS 6 HA CYS 6 0.011 3.137 -0.967 35 HB3 CYS 6 1HB CYS 6 -0.060 0.795 -1.869 36 HG CYS 6 HG CYS 6 -1.603 0.614 -4.045 37 H CYS 7 H CYS 7 -2.337 3.889 -3.316 38 HA CYS 7 HA CYS 7 -0.954 5.226 -5.288 39 HB3 CYS 7 1HB CYS 7 -3.139 6.832 -4.982 40 HG CYS 7 HG CYS 7 -4.363 4.129 -6.280 41 H THR 8 H THR 8 -1.416 6.120 -1.980 42 HA THR 8 HA THR 8 -0.882 8.901 -2.250 43 HB THR 8 HB THR 8 -0.739 8.988 0.118 44 HG1 THR 8 HG1 THR 8 0.599 7.428 0.788 45 HG21 THR 8 3HG2 THR 8 -2.971 8.387 -0.844 46 HG22 THR 8 1HG2 THR 8 -2.746 7.887 0.832 47 HG23 THR 8 2HG2 THR 8 -2.618 6.701 -0.468 48 H SER 9 H SER 9 1.135 6.155 -1.204 49 HA SER 9 HA SER 9 3.449 6.954 -2.511 50 HB3 SER 9 1HB SER 9 4.468 7.542 0.024 51 HG SER 9 HG SER 9 5.087 8.548 -1.923 52 H ILE 10 H ILE 10 2.193 5.536 0.473 53 HA ILE 10 HA ILE 10 4.330 3.715 0.868 54 HB ILE 10 HB ILE 10 2.923 4.225 2.731 55 HG13 ILE 10 1HG1 ILE 10 2.243 1.392 1.934 56 HG21 ILE 10 1HG2 ILE 10 0.772 4.660 2.394 57 HG22 ILE 10 2HG2 ILE 10 0.814 3.889 0.811 58 HG23 ILE 10 3HG2 ILE 10 0.493 2.925 2.252 59 HD11 ILE 10 3HD1 ILE 10 4.862 2.578 2.422 60 HD12 ILE 10 1HD1 ILE 10 4.494 1.191 3.447 61 HD13 ILE 10 2HD1 ILE 10 4.429 1.033 1.692 62 H CYS 11 H CYS 11 4.690 2.752 -1.172 63 HA CYS 11 HA CYS 11 2.701 0.701 -1.883 64 HB3 CYS 11 1HB CYS 11 2.763 2.409 -3.618 65 HG CYS 11 HG CYS 11 4.798 3.897 -4.114 66 H SER 12 H SER 12 5.638 1.183 -0.548 67 HA SER 12 HA SER 12 7.396 -0.564 -1.795 68 HB3 SER 12 1HB SER 12 8.399 -0.839 0.526 69 HG SER 12 HG SER 12 8.970 1.373 0.635 70 H LEU 13 H LEU 13 5.803 -1.435 1.259 71 HA LEU 13 HA LEU 13 5.836 -4.230 0.448 72 HB3 LEU 13 1HB LEU 13 5.299 -2.807 3.033 73 HG LEU 13 HG LEU 13 4.593 -5.618 2.394 74 HD11 LEU 13 1HD1 LEU 13 4.975 -5.854 5.037 75 HD12 LEU 13 2HD1 LEU 13 6.332 -4.802 4.634 76 HD13 LEU 13 3HD1 LEU 13 6.162 -6.366 3.835 77 HD21 LEU 13 3HD2 LEU 13 2.665 -4.712 3.054 78 HD22 LEU 13 1HD2 LEU 13 3.468 -3.305 3.751 79 HD23 LEU 13 2HD2 LEU 13 3.318 -4.790 4.691 80 H TYR 14 H TYR 14 3.608 -1.609 0.849 81 HA TYR 14 HA TYR 14 1.277 -3.340 0.796 82 HB3 TYR 14 1HB TYR 14 0.000 -1.216 0.884 83 HD1 TYR 14 HD2 TYR 14 3.244 -0.729 2.643 84 HD2 TYR 14 HD1 TYR 14 -0.847 -1.853 2.964 85 HE1 TYR 14 HE2 TYR 14 3.465 -0.807 5.092 86 HE2 TYR 14 HE1 TYR 14 -0.638 -1.933 5.413 87 HH TYR 14 HH TYR 14 2.476 -1.437 7.010 88 H GLN 15 H GLN 15 3.379 -2.610 -1.476 89 HA GLN 15 HA GLN 15 3.357 -2.575 -3.748 90 HB3 GLN 15 1HB GLN 15 1.480 -3.546 -4.906 91 HG3 GLN 15 1HG GLN 15 1.509 -4.941 -2.251 92 HE21 GLN 15 1HE2 GLN 15 -0.588 -5.676 -2.956 93 HE22 GLN 15 2HE2 GLN 15 -0.701 -6.937 -4.130 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -6.759 -7.540 -2.007 2 HA2 GLY 1 1HA GLY 1 -4.161 -7.461 -2.111 3 HA3 GLY 1 2HA GLY 1 -4.460 -5.749 -2.373 4 H ILE 2 H ILE 2 -3.895 -4.719 -0.571 5 HA ILE 2 HA ILE 2 -4.708 -5.874 2.012 6 HB ILE 2 HB ILE 2 -2.763 -3.627 1.906 7 HG13 ILE 2 1HG1 ILE 2 -2.298 -6.344 0.774 8 HG21 ILE 2 1HG2 ILE 2 -3.250 -4.328 4.069 9 HG22 ILE 2 2HG2 ILE 2 -3.267 -6.033 3.616 10 HG23 ILE 2 3HG2 ILE 2 -1.737 -5.159 3.706 11 HD11 ILE 2 3HD1 ILE 2 -1.248 -5.286 -0.898 12 HD12 ILE 2 1HD1 ILE 2 -2.164 -3.892 -0.324 13 HD13 ILE 2 2HD1 ILE 2 -0.488 -4.114 0.178 14 H VAL 3 H VAL 3 -3.979 -2.583 0.851 15 HA VAL 3 HA VAL 3 -6.568 -1.711 1.957 16 HB VAL 3 HB VAL 3 -5.393 0.487 2.480 17 HG11 VAL 3 1HG1 VAL 3 -5.253 -0.168 4.631 18 HG12 VAL 3 2HG1 VAL 3 -5.903 -1.686 4.008 19 HG13 VAL 3 3HG1 VAL 3 -4.166 -1.507 4.262 20 HG21 VAL 3 3HG2 VAL 3 -2.844 -0.913 2.848 21 HG22 VAL 3 1HG2 VAL 3 -3.289 -0.635 1.165 22 HG23 VAL 3 2HG2 VAL 3 -3.169 0.726 2.281 23 H GLU 4 H GLU 4 -4.238 -1.560 -0.579 24 HA GLU 4 HA GLU 4 -4.308 -0.690 -2.681 25 HB3 GLU 4 1HB GLU 4 -6.423 -0.270 -3.706 26 HG3 GLU 4 1HG GLU 4 -6.033 -2.600 -2.177 27 H GLN 5 H GLN 5 -4.059 0.995 -0.109 28 HA GLN 5 HA GLN 5 -4.650 3.631 -1.255 29 HB3 GLN 5 1HB GLN 5 -4.417 4.517 0.973 30 HG3 GLN 5 1HG GLN 5 -5.923 1.922 1.197 31 HE21 GLN 5 1HE2 GLN 5 -4.729 2.556 3.419 32 HE22 GLN 5 2HE2 GLN 5 -5.771 3.381 4.523 33 H CYS 6 H CYS 6 -2.355 1.784 -1.928 34 HA CYS 6 HA CYS 6 0.008 3.015 -0.902 35 HB3 CYS 6 1HB CYS 6 0.018 0.693 -1.676 36 HG CYS 6 HG CYS 6 -0.410 -0.366 -4.058 37 H CYS 7 H CYS 7 -2.159 3.697 -3.485 38 HA CYS 7 HA CYS 7 -0.572 5.007 -5.326 39 HB3 CYS 7 1HB CYS 7 -2.653 6.441 -5.730 40 HG CYS 7 HG CYS 7 -3.342 4.771 -7.542 41 H THR 8 H THR 8 -1.437 5.969 -2.125 42 HA THR 8 HA THR 8 -0.992 8.759 -2.390 43 HB THR 8 HB THR 8 -1.037 8.879 -0.015 44 HG1 THR 8 HG1 THR 8 0.078 7.405 1.010 45 HG21 THR 8 3HG2 THR 8 -3.161 8.206 -1.143 46 HG22 THR 8 1HG2 THR 8 -3.058 7.703 0.543 47 HG23 THR 8 2HG2 THR 8 -2.785 6.530 -0.745 48 H SER 9 H SER 9 1.064 6.118 -1.174 49 HA SER 9 HA SER 9 3.437 7.067 -2.277 50 HB3 SER 9 1HB SER 9 2.790 8.148 0.439 51 HG SER 9 HG SER 9 4.840 8.114 1.069 52 H ILE 10 H ILE 10 2.073 5.534 0.611 53 HA ILE 10 HA ILE 10 4.256 3.770 1.043 54 HB ILE 10 HB ILE 10 2.788 4.227 2.879 55 HG13 ILE 10 1HG1 ILE 10 2.198 1.380 2.063 56 HG21 ILE 10 1HG2 ILE 10 0.413 2.861 2.357 57 HG22 ILE 10 2HG2 ILE 10 0.636 4.606 2.472 58 HG23 ILE 10 3HG2 ILE 10 0.733 3.806 0.903 59 HD11 ILE 10 3HD1 ILE 10 4.400 1.114 1.782 60 HD12 ILE 10 1HD1 ILE 10 4.793 2.629 2.593 61 HD13 ILE 10 2HD1 ILE 10 4.450 1.184 3.543 62 H CYS 11 H CYS 11 4.657 2.889 -1.046 63 HA CYS 11 HA CYS 11 2.758 0.763 -1.793 64 HB3 CYS 11 1HB CYS 11 2.731 2.480 -3.506 65 HG CYS 11 HG CYS 11 4.635 3.783 -4.742 66 H SER 12 H SER 12 5.617 1.288 -0.378 67 HA SER 12 HA SER 12 7.506 -0.287 -1.647 68 HB3 SER 12 1HB SER 12 7.024 0.142 1.308 69 HG SER 12 HG SER 12 8.619 -1.165 1.648 70 H LEU 13 H LEU 13 5.805 -1.444 1.251 71 HA LEU 13 HA LEU 13 6.059 -4.175 0.301 72 HB3 LEU 13 1HB LEU 13 5.230 -2.905 2.883 73 HG LEU 13 HG LEU 13 4.615 -5.690 2.059 74 HD11 LEU 13 1HD1 LEU 13 4.755 -6.070 4.696 75 HD12 LEU 13 2HD1 LEU 13 6.105 -4.953 4.507 76 HD13 LEU 13 3HD1 LEU 13 6.080 -6.466 3.602 77 HD21 LEU 13 3HD2 LEU 13 3.377 -4.300 4.367 78 HD22 LEU 13 1HD2 LEU 13 2.641 -5.308 3.117 79 HD23 LEU 13 2HD2 LEU 13 3.074 -3.635 2.760 80 H TYR 14 H TYR 14 3.640 -1.715 0.595 81 HA TYR 14 HA TYR 14 1.388 -3.483 0.387 82 HB3 TYR 14 1HB TYR 14 0.130 -1.333 -0.046 83 HD1 TYR 14 HD1 TYR 14 3.015 -1.033 2.311 84 HD2 TYR 14 HD2 TYR 14 -1.183 -1.539 1.846 85 HE1 TYR 14 HE1 TYR 14 2.739 -0.921 4.752 86 HE2 TYR 14 HE2 TYR 14 -1.473 -1.429 4.285 87 HH TYR 14 HH TYR 14 -0.477 -1.041 6.241 88 H GLN 15 H GLN 15 3.607 -2.089 -1.808 89 HA GLN 15 HA GLN 15 3.800 -2.138 -4.075 90 HB3 GLN 15 1HB GLN 15 2.682 -3.951 -5.279 91 HG3 GLN 15 1HG GLN 15 3.132 -5.817 -3.390 92 HE21 GLN 15 1HE2 GLN 15 6.109 -4.632 -3.261 93 HE22 GLN 15 2HE2 GLN 15 6.740 -5.161 -4.781 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -6.490 -7.758 -2.606 2 HA2 GLY 1 1HA GLY 1 -4.140 -7.378 -2.349 3 HA3 GLY 1 2HA GLY 1 -4.434 -5.655 -2.532 4 H ILE 2 H ILE 2 -3.846 -4.694 -0.704 5 HA ILE 2 HA ILE 2 -4.610 -5.951 1.847 6 HB ILE 2 HB ILE 2 -2.648 -3.723 1.810 7 HG13 ILE 2 1HG1 ILE 2 -2.224 -6.379 0.526 8 HG21 ILE 2 1HG2 ILE 2 -3.291 -6.106 3.451 9 HG22 ILE 2 2HG2 ILE 2 -1.618 -5.550 3.440 10 HG23 ILE 2 3HG2 ILE 2 -2.906 -4.458 3.946 11 HD11 ILE 2 3HD1 ILE 2 -0.423 -4.120 0.004 12 HD12 ILE 2 1HD1 ILE 2 -1.205 -5.238 -1.113 13 HD13 ILE 2 2HD1 ILE 2 -2.109 -3.875 -0.451 14 H VAL 3 H VAL 3 -3.875 -2.625 0.793 15 HA VAL 3 HA VAL 3 -6.406 -1.770 2.040 16 HB VAL 3 HB VAL 3 -3.928 -0.059 1.973 17 HG11 VAL 3 1HG1 VAL 3 -6.486 0.652 2.406 18 HG12 VAL 3 2HG1 VAL 3 -6.000 0.235 4.051 19 HG13 VAL 3 3HG1 VAL 3 -5.109 1.461 3.151 20 HG21 VAL 3 3HG2 VAL 3 -3.298 -1.966 3.264 21 HG22 VAL 3 1HG2 VAL 3 -3.677 -0.665 4.391 22 HG23 VAL 3 2HG2 VAL 3 -4.838 -1.964 4.124 23 H GLU 4 H GLU 4 -4.209 -1.545 -0.624 24 HA GLU 4 HA GLU 4 -4.410 -0.648 -2.705 25 HB3 GLU 4 1HB GLU 4 -6.581 -0.269 -3.615 26 HG3 GLU 4 1HG GLU 4 -6.063 -2.605 -2.140 27 H GLN 5 H GLN 5 -3.995 0.999 -0.163 28 HA GLN 5 HA GLN 5 -4.681 3.639 -1.262 29 HB3 GLN 5 1HB GLN 5 -4.353 4.503 1.008 30 HG3 GLN 5 1HG GLN 5 -6.124 2.070 1.046 31 HE21 GLN 5 1HE2 GLN 5 -8.291 3.299 2.109 32 HE22 GLN 5 2HE2 GLN 5 -7.962 3.801 3.729 33 H CYS 6 H CYS 6 -2.359 1.798 -1.904 34 HA CYS 6 HA CYS 6 -0.016 3.061 -0.876 35 HB3 CYS 6 1HB CYS 6 0.075 0.754 -1.625 36 HG CYS 6 HG CYS 6 0.229 1.012 -4.862 37 H CYS 7 H CYS 7 -2.190 3.743 -3.446 38 HA CYS 7 HA CYS 7 -0.626 5.046 -5.306 39 HB3 CYS 7 1HB CYS 7 -3.340 6.017 -4.403 40 HG CYS 7 HG CYS 7 -1.464 6.632 -7.099 41 H THR 8 H THR 8 -1.439 6.019 -2.092 42 HA THR 8 HA THR 8 -0.966 8.803 -2.359 43 HB THR 8 HB THR 8 -0.963 8.918 0.016 44 HG1 THR 8 HG1 THR 8 0.347 7.397 0.806 45 HG21 THR 8 3HG2 THR 8 -3.120 8.295 -1.047 46 HG22 THR 8 1HG2 THR 8 -2.978 7.726 0.616 47 HG23 THR 8 2HG2 THR 8 -2.755 6.601 -0.723 48 H SER 9 H SER 9 1.089 6.136 -1.194 49 HA SER 9 HA SER 9 3.449 7.074 -2.334 50 HB3 SER 9 1HB SER 9 4.263 7.588 0.293 51 HG SER 9 HG SER 9 5.059 8.720 -1.453 52 H ILE 10 H ILE 10 2.205 5.581 0.641 53 HA ILE 10 HA ILE 10 4.357 3.771 0.963 54 HB ILE 10 HB ILE 10 2.992 4.240 2.864 55 HG13 ILE 10 1HG1 ILE 10 2.274 1.420 2.055 56 HG21 ILE 10 1HG2 ILE 10 0.552 2.957 2.446 57 HG22 ILE 10 2HG2 ILE 10 0.838 4.693 2.558 58 HG23 ILE 10 3HG2 ILE 10 0.835 3.901 0.983 59 HD11 ILE 10 3HD1 ILE 10 4.925 2.582 2.463 60 HD12 ILE 10 1HD1 ILE 10 4.584 1.156 3.442 61 HD13 ILE 10 2HD1 ILE 10 4.449 1.072 1.686 62 H CYS 11 H CYS 11 4.695 2.816 -1.080 63 HA CYS 11 HA CYS 11 2.691 0.776 -1.791 64 HB3 CYS 11 1HB CYS 11 2.754 2.480 -3.523 65 HG CYS 11 HG CYS 11 4.888 3.988 -3.658 66 H SER 12 H SER 12 5.703 1.290 -0.552 67 HA SER 12 HA SER 12 7.411 -0.491 -1.789 68 HB3 SER 12 1HB SER 12 8.010 -0.821 0.889 69 HG SER 12 HG SER 12 9.560 -0.082 -0.459 70 H LEU 13 H LEU 13 5.834 -1.329 1.285 71 HA LEU 13 HA LEU 13 5.962 -4.134 0.626 72 HB3 LEU 13 1HB LEU 13 5.038 -2.572 3.010 73 HG LEU 13 HG LEU 13 4.409 -5.402 2.449 74 HD11 LEU 13 1HD1 LEU 13 4.587 -5.602 5.104 75 HD12 LEU 13 2HD1 LEU 13 5.959 -4.533 4.814 76 HD13 LEU 13 3HD1 LEU 13 5.883 -6.105 4.016 77 HD21 LEU 13 3HD2 LEU 13 3.102 -4.233 4.706 78 HD22 LEU 13 1HD2 LEU 13 2.425 -4.697 3.144 79 HD23 LEU 13 2HD2 LEU 13 3.101 -3.083 3.368 80 H TYR 14 H TYR 14 3.611 -1.598 0.525 81 HA TYR 14 HA TYR 14 1.277 -3.213 0.533 82 HB3 TYR 14 1HB TYR 14 0.347 -1.087 -0.702 83 HD1 TYR 14 HD1 TYR 14 2.428 -1.344 2.394 84 HD2 TYR 14 HD2 TYR 14 -1.304 -0.244 0.672 85 HE1 TYR 14 HE1 TYR 14 1.551 -0.834 4.634 86 HE2 TYR 14 HE2 TYR 14 -2.191 0.270 2.908 87 HH TYR 14 HH TYR 14 -1.227 0.925 5.165 88 H GLN 15 H GLN 15 3.610 -2.391 -1.884 89 HA GLN 15 HA GLN 15 3.828 -2.915 -4.088 90 HB3 GLN 15 1HB GLN 15 2.874 -5.088 -4.796 91 HG3 GLN 15 1HG GLN 15 3.692 -5.905 -2.136 92 HE21 GLN 15 1HE2 GLN 15 5.358 -5.198 -5.185 93 HE22 GLN 15 2HE2 GLN 15 5.738 -6.842 -5.556 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -6.904 -6.711 -2.138 2 HA2 GLY 1 1HA GLY 1 -4.121 -7.403 -2.321 3 HA3 GLY 1 2HA GLY 1 -4.406 -5.679 -2.520 4 H ILE 2 H ILE 2 -3.831 -4.708 -0.690 5 HA ILE 2 HA ILE 2 -4.619 -5.949 1.860 6 HB ILE 2 HB ILE 2 -2.664 -3.714 1.818 7 HG13 ILE 2 1HG1 ILE 2 -2.223 -6.386 0.574 8 HG21 ILE 2 1HG2 ILE 2 -1.658 -5.553 3.473 9 HG22 ILE 2 2HG2 ILE 2 -2.905 -4.406 3.961 10 HG23 ILE 2 3HG2 ILE 2 -3.350 -6.049 3.497 11 HD11 ILE 2 3HD1 ILE 2 -0.413 -4.138 0.043 12 HD12 ILE 2 1HD1 ILE 2 -1.192 -5.264 -1.069 13 HD13 ILE 2 2HD1 ILE 2 -2.094 -3.891 -0.428 14 H VAL 3 H VAL 3 -3.889 -2.626 0.791 15 HA VAL 3 HA VAL 3 -6.438 -1.774 2.002 16 HB VAL 3 HB VAL 3 -3.971 -0.047 1.970 17 HG11 VAL 3 1HG1 VAL 3 -6.231 0.122 3.917 18 HG12 VAL 3 2HG1 VAL 3 -5.138 1.385 3.353 19 HG13 VAL 3 3HG1 VAL 3 -6.416 0.789 2.295 20 HG21 VAL 3 3HG2 VAL 3 -4.780 -2.159 3.919 21 HG22 VAL 3 1HG2 VAL 3 -3.176 -1.732 3.325 22 HG23 VAL 3 2HG2 VAL 3 -3.983 -0.699 4.504 23 H GLU 4 H GLU 4 -4.192 -1.539 -0.621 24 HA GLU 4 HA GLU 4 -4.361 -0.648 -2.709 25 HB3 GLU 4 1HB GLU 4 -6.513 -0.284 -3.659 26 HG3 GLU 4 1HG GLU 4 -6.017 -2.611 -2.172 27 H GLN 5 H GLN 5 -3.996 1.004 -0.160 28 HA GLN 5 HA GLN 5 -4.699 3.640 -1.250 29 HB3 GLN 5 1HB GLN 5 -4.356 4.499 1.014 30 HG3 GLN 5 1HG GLN 5 -6.030 2.960 2.262 31 HE21 GLN 5 1HE2 GLN 5 -8.449 3.075 1.356 32 HE22 GLN 5 2HE2 GLN 5 -8.844 4.616 0.678 33 H CYS 6 H CYS 6 -2.350 1.786 -1.875 34 HA CYS 6 HA CYS 6 -0.013 3.077 -0.893 35 HB3 CYS 6 1HB CYS 6 0.035 0.759 -1.678 36 HG CYS 6 HG CYS 6 -0.910 2.075 -4.665 37 H CYS 7 H CYS 7 -2.232 3.780 -3.409 38 HA CYS 7 HA CYS 7 -0.711 5.090 -5.298 39 HB3 CYS 7 1HB CYS 7 -2.814 6.599 -5.513 40 HG CYS 7 HG CYS 7 -4.115 5.020 -7.161 41 H THR 8 H THR 8 -1.437 6.042 -2.056 42 HA THR 8 HA THR 8 -0.950 8.825 -2.321 43 HB THR 8 HB THR 8 -0.911 8.932 0.054 44 HG1 THR 8 HG1 THR 8 -0.311 7.274 1.319 45 HG21 THR 8 3HG2 THR 8 -3.098 8.377 -0.907 46 HG22 THR 8 1HG2 THR 8 -2.906 7.670 0.695 47 HG23 THR 8 2HG2 THR 8 -2.737 6.660 -0.740 48 H SER 9 H SER 9 1.097 6.140 -1.187 49 HA SER 9 HA SER 9 3.448 7.043 -2.369 50 HB3 SER 9 1HB SER 9 4.314 7.577 0.235 51 HG SER 9 HG SER 9 5.168 8.798 -1.317 52 H ILE 10 H ILE 10 2.199 5.568 0.608 53 HA ILE 10 HA ILE 10 4.348 3.755 0.949 54 HB ILE 10 HB ILE 10 2.969 4.234 2.840 55 HG13 ILE 10 1HG1 ILE 10 2.269 1.410 2.029 56 HG21 ILE 10 1HG2 ILE 10 0.821 3.860 0.945 57 HG22 ILE 10 2HG2 ILE 10 0.533 2.962 2.436 58 HG23 ILE 10 3HG2 ILE 10 0.822 4.700 2.495 59 HD11 ILE 10 3HD1 ILE 10 4.907 2.585 2.467 60 HD12 ILE 10 1HD1 ILE 10 4.559 1.175 3.468 61 HD13 ILE 10 2HD1 ILE 10 4.447 1.058 1.712 62 H CYS 11 H CYS 11 4.692 2.798 -1.093 63 HA CYS 11 HA CYS 11 2.692 0.756 -1.808 64 HB3 CYS 11 1HB CYS 11 2.758 2.462 -3.538 65 HG CYS 11 HG CYS 11 5.260 2.500 -5.246 66 H SER 12 H SER 12 5.708 1.284 -0.575 67 HA SER 12 HA SER 12 7.408 -0.511 -1.808 68 HB3 SER 12 1HB SER 12 7.999 -0.801 0.890 69 HG SER 12 HG SER 12 8.824 1.484 -0.511 70 H LEU 13 H LEU 13 5.857 -1.312 1.290 71 HA LEU 13 HA LEU 13 5.989 -4.123 0.678 72 HB3 LEU 13 1HB LEU 13 5.031 -2.524 3.025 73 HG LEU 13 HG LEU 13 4.494 -5.398 2.533 74 HD11 LEU 13 1HD1 LEU 13 5.931 -4.374 4.888 75 HD12 LEU 13 2HD1 LEU 13 5.841 -6.007 4.229 76 HD13 LEU 13 3HD1 LEU 13 4.528 -5.387 5.229 77 HD21 LEU 13 3HD2 LEU 13 2.453 -4.677 3.013 78 HD22 LEU 13 1HD2 LEU 13 3.083 -3.061 3.334 79 HD23 LEU 13 2HD2 LEU 13 2.988 -4.246 4.637 80 H TYR 14 H TYR 14 3.605 -1.604 0.575 81 HA TYR 14 HA TYR 14 1.291 -3.236 0.568 82 HB3 TYR 14 1HB TYR 14 0.350 -1.132 -0.696 83 HD1 TYR 14 HD1 TYR 14 2.417 -1.338 2.413 84 HD2 TYR 14 HD2 TYR 14 -1.314 -0.287 0.659 85 HE1 TYR 14 HE1 TYR 14 1.524 -0.809 4.644 86 HE2 TYR 14 HE2 TYR 14 -2.218 0.247 2.885 87 HH TYR 14 HH TYR 14 -0.187 0.312 5.725 88 H GLN 15 H GLN 15 3.627 -2.415 -1.848 89 HA GLN 15 HA GLN 15 3.871 -2.981 -4.039 90 HB3 GLN 15 1HB GLN 15 3.035 -5.157 -4.721 91 HG3 GLN 15 1HG GLN 15 3.442 -6.105 -2.071 92 HE21 GLN 15 1HE2 GLN 15 3.627 -7.988 -3.260 93 HE22 GLN 15 2HE2 GLN 15 5.015 -8.343 -4.224 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -6.636 -8.497 -1.339 2 HA2 GLY 1 1HA GLY 1 -4.282 -6.817 -1.790 3 HA3 GLY 1 2HA GLY 1 -5.950 -6.267 -1.711 4 H ILE 2 H ILE 2 -3.881 -4.974 -0.367 5 HA ILE 2 HA ILE 2 -4.201 -5.766 2.437 6 HB ILE 2 HB ILE 2 -2.439 -3.501 1.623 7 HG13 ILE 2 1HG1 ILE 2 -2.099 -6.340 0.835 8 HG21 ILE 2 1HG2 ILE 2 -2.706 -5.413 3.853 9 HG22 ILE 2 2HG2 ILE 2 -1.060 -4.963 3.408 10 HG23 ILE 2 3HG2 ILE 2 -2.224 -3.717 3.862 11 HD11 ILE 2 3HD1 ILE 2 -1.268 -5.524 -1.089 12 HD12 ILE 2 1HD1 ILE 2 -2.166 -4.088 -0.596 13 HD13 ILE 2 2HD1 ILE 2 -0.432 -4.191 -0.294 14 H VAL 3 H VAL 3 -4.708 -3.057 0.236 15 HA VAL 3 HA VAL 3 -6.937 -2.074 1.631 16 HB VAL 3 HB VAL 3 -5.138 -1.412 3.259 17 HG11 VAL 3 1HG1 VAL 3 -4.387 0.768 1.362 18 HG12 VAL 3 2HG1 VAL 3 -3.505 0.136 2.753 19 HG13 VAL 3 3HG1 VAL 3 -3.581 -0.797 1.259 20 HG21 VAL 3 3HG2 VAL 3 -5.934 1.066 3.276 21 HG22 VAL 3 1HG2 VAL 3 -6.988 0.545 1.960 22 HG23 VAL 3 2HG2 VAL 3 -7.104 -0.227 3.543 23 H GLU 4 H GLU 4 -4.311 -1.541 -0.600 24 HA GLU 4 HA GLU 4 -4.267 -0.616 -2.683 25 HB3 GLU 4 1HB GLU 4 -6.255 -0.361 -3.917 26 HG3 GLU 4 1HG GLU 4 -7.555 -2.217 -2.068 27 H GLN 5 H GLN 5 -3.674 0.948 -0.438 28 HA GLN 5 HA GLN 5 -4.656 3.597 -1.275 29 HB3 GLN 5 1HB GLN 5 -4.136 4.339 1.051 30 HG3 GLN 5 1HG GLN 5 -6.048 2.016 0.996 31 HE21 GLN 5 1HE2 GLN 5 -8.127 3.275 2.145 32 HE22 GLN 5 2HE2 GLN 5 -7.748 3.728 3.768 33 H CYS 6 H CYS 6 -2.211 1.780 -1.921 34 HA CYS 6 HA CYS 6 0.085 3.153 -1.011 35 HB3 CYS 6 1HB CYS 6 0.029 0.824 -1.972 36 HG CYS 6 HG CYS 6 -0.926 0.184 -4.259 37 H CYS 7 H CYS 7 -2.253 3.914 -3.376 38 HA CYS 7 HA CYS 7 -0.867 5.310 -5.303 39 HB3 CYS 7 1HB CYS 7 -3.244 4.963 -5.502 40 HG CYS 7 HG CYS 7 -5.222 5.449 -3.909 41 H THR 8 H THR 8 -1.368 6.127 -1.986 42 HA THR 8 HA THR 8 -0.862 8.924 -2.207 43 HB THR 8 HB THR 8 -0.784 8.984 0.161 44 HG1 THR 8 HG1 THR 8 -0.611 6.951 1.352 45 HG21 THR 8 3HG2 THR 8 -2.999 8.489 -0.716 46 HG22 THR 8 1HG2 THR 8 -2.763 7.679 0.832 47 HG23 THR 8 2HG2 THR 8 -2.652 6.761 -0.670 48 H SER 9 H SER 9 1.142 6.179 -1.138 49 HA SER 9 HA SER 9 3.487 7.006 -2.374 50 HB3 SER 9 1HB SER 9 3.023 8.192 0.328 51 HG SER 9 HG SER 9 4.863 7.447 1.001 52 H ILE 10 H ILE 10 2.137 5.522 0.531 53 HA ILE 10 HA ILE 10 4.275 3.718 0.980 54 HB ILE 10 HB ILE 10 2.791 4.170 2.796 55 HG13 ILE 10 1HG1 ILE 10 2.118 1.355 1.937 56 HG21 ILE 10 1HG2 ILE 10 0.385 2.902 2.258 57 HG22 ILE 10 2HG2 ILE 10 0.667 4.641 2.316 58 HG23 ILE 10 3HG2 ILE 10 0.751 3.786 0.776 59 HD11 ILE 10 3HD1 ILE 10 4.313 1.032 1.635 60 HD12 ILE 10 1HD1 ILE 10 4.757 2.507 2.493 61 HD13 ILE 10 2HD1 ILE 10 4.360 1.047 3.398 62 H CYS 11 H CYS 11 4.721 2.817 -1.082 63 HA CYS 11 HA CYS 11 2.793 0.748 -1.903 64 HB3 CYS 11 1HB CYS 11 2.888 2.499 -3.595 65 HG CYS 11 HG CYS 11 5.059 3.994 -3.561 66 H SER 12 H SER 12 5.672 1.244 -0.455 67 HA SER 12 HA SER 12 7.498 -0.449 -1.682 68 HB3 SER 12 1HB SER 12 8.151 -0.833 0.899 69 HG SER 12 HG SER 12 9.613 0.408 0.042 70 H LEU 13 H LEU 13 5.811 -1.388 1.305 71 HA LEU 13 HA LEU 13 6.011 -4.174 0.571 72 HB3 LEU 13 1HB LEU 13 5.013 -2.694 2.978 73 HG LEU 13 HG LEU 13 4.494 -5.548 2.349 74 HD11 LEU 13 1HD1 LEU 13 4.590 -6.121 4.749 75 HD12 LEU 13 2HD1 LEU 13 5.370 -4.571 5.062 76 HD13 LEU 13 3HD1 LEU 13 6.175 -5.777 4.059 77 HD21 LEU 13 3HD2 LEU 13 3.045 -3.255 3.186 78 HD22 LEU 13 1HD2 LEU 13 2.939 -4.469 4.463 79 HD23 LEU 13 2HD2 LEU 13 2.437 -4.871 2.820 80 H TYR 14 H TYR 14 3.552 -1.694 0.700 81 HA TYR 14 HA TYR 14 1.311 -3.426 0.451 82 HB3 TYR 14 1HB TYR 14 0.172 -1.270 -0.349 83 HD1 TYR 14 HD1 TYR 14 2.722 -1.181 2.390 84 HD2 TYR 14 HD2 TYR 14 -1.395 -1.071 1.322 85 HE1 TYR 14 HE1 TYR 14 2.121 -0.911 4.759 86 HE2 TYR 14 HE2 TYR 14 -2.007 -0.801 3.689 87 HH TYR 14 HH TYR 14 0.191 -1.304 6.225 88 H GLN 15 H GLN 15 3.606 -2.132 -1.783 89 HA GLN 15 HA GLN 15 3.887 -2.349 -4.029 90 HB3 GLN 15 1HB GLN 15 2.894 -4.390 -5.081 91 HG3 GLN 15 1HG GLN 15 3.838 -6.028 -3.250 92 HE21 GLN 15 1HE2 GLN 15 6.041 -6.651 -3.561 93 HE22 GLN 15 2HE2 GLN 15 6.928 -6.065 -4.922 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -5.030 -8.281 -3.433 2 HA2 GLY 1 1HA GLY 1 -3.684 -6.231 -2.420 3 HA3 GLY 1 2HA GLY 1 -5.424 -6.125 -2.628 4 H ILE 2 H ILE 2 -3.847 -4.753 -0.664 5 HA ILE 2 HA ILE 2 -4.762 -6.042 1.819 6 HB ILE 2 HB ILE 2 -2.909 -3.721 1.918 7 HG13 ILE 2 1HG1 ILE 2 -2.266 -6.369 0.713 8 HG21 ILE 2 1HG2 ILE 2 -3.648 -4.647 3.989 9 HG22 ILE 2 2HG2 ILE 2 -3.234 -6.280 3.469 10 HG23 ILE 2 3HG2 ILE 2 -1.958 -5.102 3.774 11 HD11 ILE 2 3HD1 ILE 2 -2.170 -3.866 -0.277 12 HD12 ILE 2 1HD1 ILE 2 -0.517 -4.048 0.312 13 HD13 ILE 2 2HD1 ILE 2 -1.171 -5.200 -0.853 14 H VAL 3 H VAL 3 -4.105 -2.682 0.823 15 HA VAL 3 HA VAL 3 -6.782 -1.955 1.819 16 HB VAL 3 HB VAL 3 -4.410 -0.121 2.059 17 HG11 VAL 3 1HG1 VAL 3 -6.963 0.518 2.219 18 HG12 VAL 3 2HG1 VAL 3 -6.777 -0.099 3.861 19 HG13 VAL 3 3HG1 VAL 3 -5.769 1.236 3.302 20 HG21 VAL 3 3HG2 VAL 3 -4.527 -0.836 4.539 21 HG22 VAL 3 1HG2 VAL 3 -5.309 -2.290 3.920 22 HG23 VAL 3 2HG2 VAL 3 -3.675 -1.877 3.397 23 H GLU 4 H GLU 4 -4.332 -1.611 -0.588 24 HA GLU 4 HA GLU 4 -4.341 -0.678 -2.664 25 HB3 GLU 4 1HB GLU 4 -6.414 -0.338 -3.788 26 HG3 GLU 4 1HG GLU 4 -7.634 -2.306 -2.058 27 H GLN 5 H GLN 5 -4.032 0.924 -0.167 28 HA GLN 5 HA GLN 5 -4.789 3.569 -1.209 29 HB3 GLN 5 1HB GLN 5 -4.509 4.378 1.108 30 HG3 GLN 5 1HG GLN 5 -6.318 1.976 1.019 31 HE21 GLN 5 1HE2 GLN 5 -8.418 2.661 2.168 32 HE22 GLN 5 2HE2 GLN 5 -8.208 3.384 3.722 33 H CYS 6 H CYS 6 -2.389 1.795 -1.796 34 HA CYS 6 HA CYS 6 -0.132 3.156 -0.680 35 HB3 CYS 6 1HB CYS 6 0.076 0.833 -1.354 36 HG CYS 6 HG CYS 6 -1.023 1.915 -4.365 37 H CYS 7 H CYS 7 -2.276 3.800 -3.237 38 HA CYS 7 HA CYS 7 -0.746 5.026 -5.168 39 HB3 CYS 7 1HB CYS 7 -2.878 6.660 -5.190 40 HG CYS 7 HG CYS 7 -4.293 3.972 -6.176 41 H THR 8 H THR 8 -1.430 6.097 -1.948 42 HA THR 8 HA THR 8 -0.917 8.848 -2.244 43 HB THR 8 HB THR 8 -0.641 8.939 0.139 44 HG1 THR 8 HG1 THR 8 -0.456 6.092 0.090 45 HG21 THR 8 3HG2 THR 8 -2.693 8.001 0.865 46 HG22 THR 8 1HG2 THR 8 -2.622 6.721 -0.346 47 HG23 THR 8 2HG2 THR 8 -2.917 8.388 -0.841 48 H SER 9 H SER 9 1.230 6.197 -1.218 49 HA SER 9 HA SER 9 3.481 7.098 -2.584 50 HB3 SER 9 1HB SER 9 4.530 7.682 -0.061 51 HG SER 9 HG SER 9 5.110 9.451 -1.087 52 H ILE 10 H ILE 10 2.577 5.736 0.578 53 HA ILE 10 HA ILE 10 4.725 3.905 0.711 54 HB ILE 10 HB ILE 10 3.583 4.475 2.735 55 HG13 ILE 10 1HG1 ILE 10 4.506 2.184 2.570 56 HG21 ILE 10 1HG2 ILE 10 1.401 4.878 2.709 57 HG22 ILE 10 2HG2 ILE 10 1.239 4.107 1.132 58 HG23 ILE 10 3HG2 ILE 10 1.115 3.142 2.603 59 HD11 ILE 10 3HD1 ILE 10 2.414 2.956 4.397 60 HD12 ILE 10 1HD1 ILE 10 2.437 1.211 4.137 61 HD13 ILE 10 2HD1 ILE 10 3.893 2.040 4.691 62 H CYS 11 H CYS 11 4.849 2.822 -1.271 63 HA CYS 11 HA CYS 11 2.735 0.815 -1.697 64 HB3 CYS 11 1HB CYS 11 2.647 2.407 -3.512 65 HG CYS 11 HG CYS 11 5.958 1.793 -4.129 66 H SER 12 H SER 12 5.775 1.217 -0.630 67 HA SER 12 HA SER 12 7.285 -0.717 -2.000 68 HB3 SER 12 1HB SER 12 7.825 -0.406 0.891 69 HG SER 12 HG SER 12 9.898 0.082 0.007 70 H LEU 13 H LEU 13 5.768 -1.009 1.218 71 HA LEU 13 HA LEU 13 6.006 -3.868 1.183 72 HB3 LEU 13 1HB LEU 13 4.797 -1.868 3.055 73 HG LEU 13 HG LEU 13 4.294 -4.794 3.102 74 HD11 LEU 13 1HD1 LEU 13 4.021 -4.161 5.732 75 HD12 LEU 13 2HD1 LEU 13 5.506 -3.305 5.314 76 HD13 LEU 13 3HD1 LEU 13 5.384 -5.043 5.042 77 HD21 LEU 13 3HD2 LEU 13 2.336 -3.641 2.813 78 HD22 LEU 13 1HD2 LEU 13 2.877 -2.260 3.767 79 HD23 LEU 13 2HD2 LEU 13 2.380 -3.748 4.574 80 H TYR 14 H TYR 14 3.563 -1.540 0.356 81 HA TYR 14 HA TYR 14 1.391 -3.422 0.347 82 HB3 TYR 14 1HB TYR 14 0.269 -1.483 -0.964 83 HD1 TYR 14 HD1 TYR 14 2.348 -1.045 2.120 84 HD2 TYR 14 HD2 TYR 14 -1.534 -1.009 0.379 85 HE1 TYR 14 HE1 TYR 14 1.375 -0.511 4.315 86 HE2 TYR 14 HE2 TYR 14 -2.517 -0.473 2.569 87 HH TYR 14 HH TYR 14 -1.747 -0.882 5.081 88 H GLN 15 H GLN 15 2.508 -1.402 -2.355 89 HA GLN 15 HA GLN 15 3.276 -3.458 -4.077 90 HB3 GLN 15 1HB GLN 15 1.057 -4.291 -4.098 91 HG3 GLN 15 1HG GLN 15 0.009 -1.567 -4.809 92 HE21 GLN 15 1HE2 GLN 15 -0.896 -3.174 -6.484 93 HE22 GLN 15 2HE2 GLN 15 -2.395 -3.920 -6.058 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -4.356 -8.644 -2.181 2 HA2 GLY 1 1HA GLY 1 -3.980 -6.283 -2.279 3 HA3 GLY 1 2HA GLY 1 -5.719 -6.044 -2.352 4 H ILE 2 H ILE 2 -3.901 -4.725 -0.581 5 HA ILE 2 HA ILE 2 -4.677 -5.862 2.021 6 HB ILE 2 HB ILE 2 -2.692 -3.655 1.861 7 HG13 ILE 2 1HG1 ILE 2 -2.311 -6.385 0.731 8 HG21 ILE 2 1HG2 ILE 2 -1.656 -5.142 3.660 9 HG22 ILE 2 2HG2 ILE 2 -3.193 -4.365 4.036 10 HG23 ILE 2 3HG2 ILE 2 -3.153 -6.070 3.582 11 HD11 ILE 2 3HD1 ILE 2 -0.464 -4.199 0.090 12 HD12 ILE 2 1HD1 ILE 2 -1.275 -5.354 -0.966 13 HD13 ILE 2 2HD1 ILE 2 -2.145 -3.936 -0.376 14 H VAL 3 H VAL 3 -3.919 -2.586 0.836 15 HA VAL 3 HA VAL 3 -6.455 -1.666 2.024 16 HB VAL 3 HB VAL 3 -5.229 0.515 2.491 17 HG11 VAL 3 1HG1 VAL 3 -4.011 -0.622 4.531 18 HG12 VAL 3 2HG1 VAL 3 -5.772 -0.595 4.419 19 HG13 VAL 3 3HG1 VAL 3 -4.880 -2.048 3.962 20 HG21 VAL 3 3HG2 VAL 3 -3.058 0.737 2.043 21 HG22 VAL 3 1HG2 VAL 3 -2.673 -0.783 2.849 22 HG23 VAL 3 2HG2 VAL 3 -3.162 -0.782 1.154 23 H GLU 4 H GLU 4 -4.193 -1.537 -0.586 24 HA GLU 4 HA GLU 4 -4.319 -0.675 -2.687 25 HB3 GLU 4 1HB GLU 4 -6.453 -0.293 -3.667 26 HG3 GLU 4 1HG GLU 4 -7.623 -2.114 -1.744 27 H GLN 5 H GLN 5 -4.045 1.025 -0.114 28 HA GLN 5 HA GLN 5 -4.657 3.652 -1.269 29 HB3 GLN 5 1HB GLN 5 -4.403 4.551 0.950 30 HG3 GLN 5 1HG GLN 5 -5.876 1.947 1.255 31 HE21 GLN 5 1HE2 GLN 5 -8.195 3.311 2.105 32 HE22 GLN 5 2HE2 GLN 5 -7.896 3.935 3.686 33 H CYS 6 H CYS 6 -2.352 1.785 -1.921 34 HA CYS 6 HA CYS 6 0.016 3.032 -0.941 35 HB3 CYS 6 1HB CYS 6 -0.070 0.687 -1.763 36 HG CYS 6 HG CYS 6 -0.854 -0.228 -4.026 37 H CYS 7 H CYS 7 -2.186 3.722 -3.492 38 HA CYS 7 HA CYS 7 -0.625 5.030 -5.356 39 HB3 CYS 7 1HB CYS 7 -3.301 6.117 -4.514 40 HG CYS 7 HG CYS 7 -1.523 6.112 -7.380 41 H THR 8 H THR 8 -1.429 5.989 -2.141 42 HA THR 8 HA THR 8 -0.960 8.778 -2.419 43 HB THR 8 HB THR 8 -1.017 8.913 -0.049 44 HG1 THR 8 HG1 THR 8 -0.748 6.088 0.132 45 HG21 THR 8 3HG2 THR 8 -2.780 6.581 -0.807 46 HG22 THR 8 1HG2 THR 8 -3.151 8.271 -1.141 47 HG23 THR 8 2HG2 THR 8 -3.034 7.707 0.526 48 H SER 9 H SER 9 1.053 6.118 -1.169 49 HA SER 9 HA SER 9 3.442 7.004 -2.282 50 HB3 SER 9 1HB SER 9 2.783 8.196 0.375 51 HG SER 9 HG SER 9 5.407 8.325 0.029 52 H ILE 10 H ILE 10 1.967 5.500 0.551 53 HA ILE 10 HA ILE 10 4.135 3.747 1.107 54 HB ILE 10 HB ILE 10 2.578 4.228 2.866 55 HG13 ILE 10 1HG1 ILE 10 2.051 1.364 2.067 56 HG21 ILE 10 1HG2 ILE 10 0.417 4.513 2.445 57 HG22 ILE 10 2HG2 ILE 10 0.636 3.875 0.816 58 HG23 ILE 10 3HG2 ILE 10 0.257 2.782 2.147 59 HD11 ILE 10 3HD1 ILE 10 4.269 1.123 1.882 60 HD12 ILE 10 1HD1 ILE 10 4.610 2.646 2.704 61 HD13 ILE 10 2HD1 ILE 10 4.233 1.200 3.643 62 H CYS 11 H CYS 11 4.602 2.890 -0.996 63 HA CYS 11 HA CYS 11 2.766 0.724 -1.777 64 HB3 CYS 11 1HB CYS 11 2.736 2.442 -3.490 65 HG CYS 11 HG CYS 11 6.013 2.046 -4.254 66 H SER 12 H SER 12 5.567 1.296 -0.290 67 HA SER 12 HA SER 12 7.549 -0.189 -1.499 68 HB3 SER 12 1HB SER 12 8.169 -0.754 0.998 69 HG SER 12 HG SER 12 9.367 0.823 0.189 70 H LEU 13 H LEU 13 5.737 -1.521 1.253 71 HA LEU 13 HA LEU 13 6.067 -4.190 0.129 72 HB3 LEU 13 1HB LEU 13 6.490 -3.444 2.590 73 HG LEU 13 HG LEU 13 3.815 -2.890 2.662 74 HD11 LEU 13 1HD1 LEU 13 3.846 -5.292 4.342 75 HD12 LEU 13 2HD1 LEU 13 3.801 -5.604 2.607 76 HD13 LEU 13 3HD1 LEU 13 2.553 -4.609 3.355 77 HD21 LEU 13 3HD2 LEU 13 4.116 -2.956 5.137 78 HD22 LEU 13 1HD2 LEU 13 5.387 -2.089 4.275 79 HD23 LEU 13 2HD2 LEU 13 5.683 -3.721 4.875 80 H TYR 14 H TYR 14 3.648 -1.778 0.579 81 HA TYR 14 HA TYR 14 1.397 -3.549 0.372 82 HB3 TYR 14 1HB TYR 14 0.137 -1.365 0.013 83 HD1 TYR 14 HD2 TYR 14 2.914 -0.833 2.414 84 HD2 TYR 14 HD1 TYR 14 -1.124 -2.063 1.877 85 HE1 TYR 14 HE2 TYR 14 2.603 -0.860 4.853 86 HE2 TYR 14 HE1 TYR 14 -1.446 -2.091 4.314 87 HH TYR 14 HH TYR 14 0.439 -0.596 6.435 88 H GLN 15 H GLN 15 3.477 -1.881 -1.828 89 HA GLN 15 HA GLN 15 3.520 -1.681 -4.098 90 HB3 GLN 15 1HB GLN 15 2.850 -3.668 -5.354 91 HG3 GLN 15 1HG GLN 15 3.915 -5.474 -3.881 92 HE21 GLN 15 1HE2 GLN 15 5.468 -2.348 -3.467 93 HE22 GLN 15 2HE2 GLN 15 6.684 -2.585 -4.669 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -6.897 -7.428 -1.888 2 HA2 GLY 1 1HA GLY 1 -4.272 -7.455 -2.080 3 HA3 GLY 1 2HA GLY 1 -4.551 -5.741 -2.344 4 H ILE 2 H ILE 2 -3.902 -4.731 -0.555 5 HA ILE 2 HA ILE 2 -4.694 -5.851 2.049 6 HB ILE 2 HB ILE 2 -2.705 -3.646 1.883 7 HG13 ILE 2 1HG1 ILE 2 -2.324 -6.384 0.774 8 HG21 ILE 2 1HG2 ILE 2 -3.182 -6.046 3.621 9 HG22 ILE 2 2HG2 ILE 2 -1.679 -5.128 3.696 10 HG23 ILE 2 3HG2 ILE 2 -3.214 -4.339 4.062 11 HD11 ILE 2 3HD1 ILE 2 -1.282 -5.366 -0.926 12 HD12 ILE 2 1HD1 ILE 2 -2.145 -3.941 -0.346 13 HD13 ILE 2 2HD1 ILE 2 -0.466 -4.208 0.126 14 H VAL 3 H VAL 3 -3.932 -2.582 0.848 15 HA VAL 3 HA VAL 3 -6.471 -1.656 2.019 16 HB VAL 3 HB VAL 3 -5.242 0.528 2.479 17 HG11 VAL 3 1HG1 VAL 3 -5.758 -0.476 4.442 18 HG12 VAL 3 2HG1 VAL 3 -5.037 -2.018 3.970 19 HG13 VAL 3 3HG1 VAL 3 -4.008 -0.691 4.517 20 HG21 VAL 3 3HG2 VAL 3 -3.184 -0.712 1.141 21 HG22 VAL 3 1HG2 VAL 3 -3.040 0.730 2.149 22 HG23 VAL 3 2HG2 VAL 3 -2.704 -0.863 2.831 23 H GLU 4 H GLU 4 -4.192 -1.537 -0.576 24 HA GLU 4 HA GLU 4 -4.304 -0.683 -2.681 25 HB3 GLU 4 1HB GLU 4 -6.433 -0.297 -3.674 26 HG3 GLU 4 1HG GLU 4 -7.616 -2.125 -1.771 27 H GLN 5 H GLN 5 -4.046 1.026 -0.111 28 HA GLN 5 HA GLN 5 -4.655 3.650 -1.275 29 HB3 GLN 5 1HB GLN 5 -4.396 4.554 0.944 30 HG3 GLN 5 1HG GLN 5 -5.796 2.419 2.111 31 HE21 GLN 5 1HE2 GLN 5 -6.240 4.193 3.428 32 HE22 GLN 5 2HE2 GLN 5 -7.395 5.398 2.977 33 H CYS 6 H CYS 6 -2.348 1.781 -1.920 34 HA CYS 6 HA CYS 6 0.019 3.030 -0.945 35 HB3 CYS 6 1HB CYS 6 -0.071 0.685 -1.771 36 HG CYS 6 HG CYS 6 -1.683 0.478 -3.911 37 H CYS 7 H CYS 7 -2.185 3.723 -3.492 38 HA CYS 7 HA CYS 7 -0.626 5.031 -5.357 39 HB3 CYS 7 1HB CYS 7 -2.679 6.419 -5.808 40 HG CYS 7 HG CYS 7 -3.085 3.036 -5.546 41 H THR 8 H THR 8 -1.429 5.987 -2.139 42 HA THR 8 HA THR 8 -0.959 8.778 -2.420 43 HB THR 8 HB THR 8 -1.020 8.912 -0.049 44 HG1 THR 8 HG1 THR 8 -0.903 6.889 1.195 45 HG21 THR 8 3HG2 THR 8 -3.152 8.277 -1.135 46 HG22 THR 8 1HG2 THR 8 -3.036 7.696 0.525 47 HG23 THR 8 2HG2 THR 8 -2.782 6.583 -0.818 48 H SER 9 H SER 9 1.049 6.117 -1.165 49 HA SER 9 HA SER 9 3.442 6.999 -2.275 50 HB3 SER 9 1HB SER 9 4.223 7.607 0.332 51 HG SER 9 HG SER 9 3.764 9.866 -0.938 52 H ILE 10 H ILE 10 1.954 5.495 0.549 53 HA ILE 10 HA ILE 10 4.123 3.745 1.117 54 HB ILE 10 HB ILE 10 2.555 4.225 2.868 55 HG13 ILE 10 1HG1 ILE 10 2.044 1.360 2.066 56 HG21 ILE 10 1HG2 ILE 10 0.401 4.515 2.421 57 HG22 ILE 10 2HG2 ILE 10 0.623 3.849 0.805 58 HG23 ILE 10 3HG2 ILE 10 0.240 2.778 2.153 59 HD11 ILE 10 3HD1 ILE 10 4.590 2.653 2.722 60 HD12 ILE 10 1HD1 ILE 10 4.214 1.212 3.667 61 HD13 ILE 10 2HD1 ILE 10 4.262 1.123 1.907 62 H CYS 11 H CYS 11 4.598 2.893 -0.990 63 HA CYS 11 HA CYS 11 2.769 0.721 -1.775 64 HB3 CYS 11 1HB CYS 11 2.738 2.439 -3.488 65 HG CYS 11 HG CYS 11 4.656 3.728 -4.749 66 H SER 12 H SER 12 5.565 1.300 -0.279 67 HA SER 12 HA SER 12 7.555 -0.180 -1.484 68 HB3 SER 12 1HB SER 12 7.798 -0.788 1.234 69 HG SER 12 HG SER 12 8.857 1.589 0.797 70 H LEU 13 H LEU 13 5.731 -1.519 1.258 71 HA LEU 13 HA LEU 13 6.079 -4.189 0.137 72 HB3 LEU 13 1HB LEU 13 6.471 -3.437 2.603 73 HG LEU 13 HG LEU 13 3.792 -2.896 2.641 74 HD11 LEU 13 1HD1 LEU 13 3.848 -5.319 4.308 75 HD12 LEU 13 2HD1 LEU 13 3.760 -5.589 2.568 76 HD13 LEU 13 3HD1 LEU 13 2.532 -4.610 3.370 77 HD21 LEU 13 3HD2 LEU 13 5.657 -3.699 4.867 78 HD22 LEU 13 1HD2 LEU 13 4.070 -2.976 5.128 79 HD23 LEU 13 2HD2 LEU 13 5.322 -2.072 4.275 80 H TYR 14 H TYR 14 3.647 -1.783 0.557 81 HA TYR 14 HA TYR 14 1.406 -3.564 0.322 82 HB3 TYR 14 1HB TYR 14 0.142 -1.386 -0.046 83 HD1 TYR 14 HD1 TYR 14 2.883 -0.837 2.387 84 HD2 TYR 14 HD2 TYR 14 -1.133 -2.109 1.802 85 HE1 TYR 14 HE1 TYR 14 2.547 -0.872 4.823 86 HE2 TYR 14 HE2 TYR 14 -1.482 -2.147 4.236 87 HH TYR 14 HH TYR 14 0.709 -0.747 6.429 88 H GLN 15 H GLN 15 3.518 -1.910 -1.848 89 HA GLN 15 HA GLN 15 3.639 -1.783 -4.117 90 HB3 GLN 15 1HB GLN 15 2.733 -3.696 -5.386 91 HG3 GLN 15 1HG GLN 15 3.849 -4.756 -2.812 92 HE21 GLN 15 1HE2 GLN 15 3.225 -6.826 -3.155 93 HE22 GLN 15 2HE2 GLN 15 3.719 -7.769 -4.515 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -4.962 -8.545 -2.949 2 HA2 GLY 1 1HA GLY 1 -3.012 -6.323 -2.913 3 HA3 GLY 1 2HA GLY 1 -4.748 -6.068 -3.034 4 H ILE 2 H ILE 2 -3.076 -4.922 -1.058 5 HA ILE 2 HA ILE 2 -3.884 -6.371 1.373 6 HB ILE 2 HB ILE 2 -2.022 -4.055 1.518 7 HG13 ILE 2 1HG1 ILE 2 -1.456 -6.637 0.143 8 HG21 ILE 2 1HG2 ILE 2 -2.254 -4.854 3.617 9 HG22 ILE 2 2HG2 ILE 2 -2.696 -6.469 3.069 10 HG23 ILE 2 3HG2 ILE 2 -1.002 -5.978 3.092 11 HD11 ILE 2 3HD1 ILE 2 -1.369 -4.074 -0.698 12 HD12 ILE 2 1HD1 ILE 2 0.307 -4.319 -0.203 13 HD13 ILE 2 2HD1 ILE 2 -0.424 -5.388 -1.402 14 H VAL 3 H VAL 3 -3.287 -2.948 0.567 15 HA VAL 3 HA VAL 3 -5.896 -2.301 1.775 16 HB VAL 3 HB VAL 3 -3.432 -0.570 1.979 17 HG11 VAL 3 1HG1 VAL 3 -6.172 -0.415 3.219 18 HG12 VAL 3 2HG1 VAL 3 -4.800 0.569 3.733 19 HG13 VAL 3 3HG1 VAL 3 -5.436 0.725 2.094 20 HG21 VAL 3 3HG2 VAL 3 -4.254 -2.871 3.548 21 HG22 VAL 3 1HG2 VAL 3 -2.728 -1.986 3.554 22 HG23 VAL 3 2HG2 VAL 3 -4.084 -1.415 4.528 23 H GLU 4 H GLU 4 -3.577 -1.736 -0.742 24 HA GLU 4 HA GLU 4 -3.719 -0.672 -2.747 25 HB3 GLU 4 1HB GLU 4 -5.839 -0.413 -3.779 26 HG3 GLU 4 1HG GLU 4 -6.899 -2.490 -2.058 27 H GLN 5 H GLN 5 -3.683 0.771 -0.013 28 HA GLN 5 HA GLN 5 -4.624 3.413 -0.822 29 HB3 GLN 5 1HB GLN 5 -5.134 2.599 1.455 30 HG3 GLN 5 1HG GLN 5 -2.748 1.495 1.624 31 HE21 GLN 5 1HE2 GLN 5 -3.160 4.403 3.607 32 HE22 GLN 5 2HE2 GLN 5 -1.512 4.915 3.506 33 H CYS 6 H CYS 6 -2.142 1.876 -1.811 34 HA CYS 6 HA CYS 6 0.093 3.434 -0.949 35 HB3 CYS 6 1HB CYS 6 0.253 1.101 -1.843 36 HG CYS 6 HG CYS 6 -1.222 2.385 -4.475 37 H CYS 7 H CYS 7 -2.486 4.127 -2.937 38 HA CYS 7 HA CYS 7 -1.481 5.462 -5.122 39 HB3 CYS 7 1HB CYS 7 -3.813 6.380 -3.428 40 HG CYS 7 HG CYS 7 -3.519 6.689 -6.817 41 H THR 8 H THR 8 -1.357 6.377 -1.783 42 HA THR 8 HA THR 8 -0.778 9.144 -2.222 43 HB THR 8 HB THR 8 -1.731 8.457 -0.100 44 HG1 THR 8 HG1 THR 8 -0.427 9.724 1.136 45 HG21 THR 8 3HG2 THR 8 0.797 7.169 0.791 46 HG22 THR 8 1HG2 THR 8 -0.292 6.229 -0.226 47 HG23 THR 8 2HG2 THR 8 -0.863 6.878 1.309 48 H SER 9 H SER 9 1.170 6.272 -1.485 49 HA SER 9 HA SER 9 3.376 6.966 -2.989 50 HB3 SER 9 1HB SER 9 4.680 7.470 -0.557 51 HG SER 9 HG SER 9 5.440 8.602 -2.193 52 H ILE 10 H ILE 10 3.008 5.887 0.394 53 HA ILE 10 HA ILE 10 4.859 3.845 0.362 54 HB ILE 10 HB ILE 10 3.925 4.447 2.452 55 HG13 ILE 10 1HG1 ILE 10 2.810 1.711 1.795 56 HG21 ILE 10 1HG2 ILE 10 1.350 3.570 2.660 57 HG22 ILE 10 2HG2 ILE 10 1.831 5.240 2.368 58 HG23 ILE 10 3HG2 ILE 10 1.390 4.201 1.014 59 HD11 ILE 10 3HD1 ILE 10 5.532 2.601 1.781 60 HD12 ILE 10 1HD1 ILE 10 5.268 1.458 3.097 61 HD13 ILE 10 2HD1 ILE 10 4.872 1.002 1.440 62 H CYS 11 H CYS 11 4.930 2.515 -1.384 63 HA CYS 11 HA CYS 11 2.557 0.833 -1.857 64 HB3 CYS 11 1HB CYS 11 2.968 2.336 -3.755 65 HG CYS 11 HG CYS 11 5.662 2.981 -3.595 66 H SER 12 H SER 12 5.636 0.885 -0.677 67 HA SER 12 HA SER 12 6.938 -1.323 -1.702 68 HB3 SER 12 1HB SER 12 7.994 -1.518 0.577 69 HG SER 12 HG SER 12 7.984 1.202 0.117 70 H LEU 13 H LEU 13 5.294 -1.487 1.445 71 HA LEU 13 HA LEU 13 4.789 -4.315 1.023 72 HB3 LEU 13 1HB LEU 13 4.485 -2.457 3.360 73 HG LEU 13 HG LEU 13 3.287 -5.159 3.090 74 HD11 LEU 13 1HD1 LEU 13 5.285 -4.555 5.066 75 HD12 LEU 13 2HD1 LEU 13 4.404 -6.057 4.782 76 HD13 LEU 13 3HD1 LEU 13 3.716 -4.815 5.829 77 HD21 LEU 13 3HD2 LEU 13 1.542 -4.232 4.241 78 HD22 LEU 13 1HD2 LEU 13 2.194 -2.790 3.463 79 HD23 LEU 13 2HD2 LEU 13 2.579 -3.132 5.151 80 H TYR 14 H TYR 14 3.091 -1.315 0.894 81 HA TYR 14 HA TYR 14 0.470 -2.547 1.062 82 HB3 TYR 14 1HB TYR 14 -0.330 -0.208 0.584 83 HD1 TYR 14 HD1 TYR 14 2.754 -0.374 2.687 84 HD2 TYR 14 HD2 TYR 14 -1.487 -0.044 2.580 85 HE1 TYR 14 HE1 TYR 14 2.721 -0.068 5.127 86 HE2 TYR 14 HE2 TYR 14 -1.531 0.261 5.020 87 HH TYR 14 HH TYR 14 0.501 -0.570 7.013 88 H GLN 15 H GLN 15 2.705 -2.644 -1.226 89 HA GLN 15 HA GLN 15 2.752 -2.875 -3.491 90 HB3 GLN 15 1HB GLN 15 0.564 -3.810 -4.465 91 HG3 GLN 15 1HG GLN 15 0.715 -5.946 -3.110 92 HE21 GLN 15 1HE2 GLN 15 3.411 -6.803 -2.937 93 HE22 GLN 15 2HE2 GLN 15 4.086 -6.737 -4.526