*HEADER VIRAL PROTEIN 10-APR-08 SMS20020 *TITLE NMR STRUCTURE OF A V3 (LAI ISOLATE) PEPTIDE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ENVELOPE GLYCOPROTEIN; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: PND DOMAIN, UNP RESIDUES 46-60; *COMPND 5 ENGINEERED: YES; *COMPND 6 OTHER_DETAILS: V3 (LAI ISOLATE) PEPTIDE *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; *SOURCE 4 ORGANISM_COMMON: HIV; *SOURCE 5 ORGANISM_TAXID: 11676; *SOURCE 6 OTHER_DETAILS: SYNTHESIZED USING F-MOC/TBU CHEMISTRY *KEYWDS U-SHAPE LIKE PEPTIDE, GPGR TURN, VIRAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 21 *AUTHOR P.A.GALANAKIS, N.G.KANDIAS, A.RIZOS, D.MORIKIS, E.KRAMBOVITIS, *AUTHOR 2 G.A.SPYROULIAS 101 ARG+ HA 101 ARG+ QD 7.70 101 ARG+ QG 102 LYS+ HA 4.20 102 LYS+ HA 102 LYS+ QD 4.50 102 LYS+ HA 102 LYS+ QE 8.00 102 LYS+ HA 103 SER HN 3.30 102 LYS+ HA 103 SER QB 5.80 102 LYS+ HB2 102 LYS+ QD 3.60 102 LYS+ HB2 102 LYS+ QE 8.00 102 LYS+ HB3 102 LYS+ QD 3.60 102 LYS+ HB3 102 LYS+ QE 8.00 102 LYS+ QB 102 LYS+ QD 3.39 103 SER HN 104 ILE QG1 5.18 103 SER HA 104 ILE HN 2.60 103 SER HA 104 ILE HA 5.20 103 SER HA 104 ILE HB 5.60 103 SER HA 104 ILE HG12 4.40 103 SER HA 104 ILE HG13 4.40 103 SER HA 104 ILE QG1 4.16 103 SER QB 104 ILE HA 7.80 103 SER QB 104 ILE QG2 8.00 103 SER QB 104 ILE HG12 5.80 103 SER QB 104 ILE HG13 5.80 103 SER QB 104 ILE QD1 7.10 104 ILE HN 104 ILE HB 3.20 104 ILE HN 104 ILE QG2 4.80 104 ILE HN 104 ILE HG12 3.50 104 ILE HN 104 ILE HG13 3.50 104 ILE HN 104 ILE QG1 3.29 104 ILE HN 104 ILE QD1 5.10 104 ILE HN 115 VAL HA 5.80 104 ILE HN 115 VAL HB 4.20 104 ILE HA 104 ILE HB 3.00 104 ILE HA 104 ILE QG2 3.30 104 ILE HA 104 ILE HG12 3.40 104 ILE HA 104 ILE HG13 3.40 104 ILE HA 104 ILE QG1 2.99 104 ILE HA 104 ILE QD1 4.50 104 ILE HA 105 ARG+ HN 3.40 104 ILE HA 105 ARG+ HB2 5.80 104 ILE HA 105 ARG+ HB3 5.80 104 ILE HA 105 ARG+ QB 5.21 104 ILE HA 105 ARG+ QG 5.48 104 ILE HA 105 ARG+ QD 7.20 104 ILE HB 104 ILE QD1 3.60 104 ILE HB 105 ARG+ HN 3.70 104 ILE QG2 105 ARG+ HN 3.20 104 ILE HG12 105 ARG+ HN 4.80 104 ILE HG13 105 ARG+ HN 4.80 104 ILE QG1 105 ARG+ HN 4.47 104 ILE QD1 105 ARG+ HN 5.00 105 ARG+ HN 105 ARG+ HB2 3.50 105 ARG+ HN 105 ARG+ HB3 3.50 105 ARG+ HN 105 ARG+ HG2 3.80 105 ARG+ HN 105 ARG+ HG3 3.80 105 ARG+ HN 105 ARG+ QD 6.10 105 ARG+ HN 113 ALA HN 6.20 105 ARG+ HA 105 ARG+ HG2 3.20 105 ARG+ HA 105 ARG+ HG3 3.20 105 ARG+ HA 105 ARG+ QD 4.90 105 ARG+ HA 106 ILE HN 3.20 105 ARG+ HA 106 ILE HG12 3.90 105 ARG+ HA 106 ILE HG13 3.90 105 ARG+ HA 106 ILE QG1 3.37 105 ARG+ QB 105 ARG+ HE 6.48 105 ARG+ QG 106 ILE HN 4.08 105 ARG+ QD 106 ILE HN 5.20 106 ILE HN 106 ILE HB 3.30 106 ILE HN 106 ILE QG2 4.50 106 ILE HN 106 ILE HG12 3.20 106 ILE HN 106 ILE HG13 3.20 106 ILE HN 106 ILE QD1 5.50 106 ILE HN 107 GLN HN 4.40 106 ILE HN 112 ARG+ QB 4.68 106 ILE HN 112 ARG+ QG 6.00 106 ILE HA 106 ILE QG2 3.10 106 ILE HA 106 ILE HG12 3.30 106 ILE HA 106 ILE HG13 3.30 106 ILE HA 106 ILE QG1 3.08 106 ILE HA 107 GLN HN 2.80 106 ILE HA 107 GLN QB 5.18 106 ILE HA 107 GLN QG 5.20 106 ILE HB 106 ILE HG12 3.00 106 ILE HB 106 ILE HG13 3.00 106 ILE HB 106 ILE QD1 3.70 106 ILE HB 107 GLN HN 3.60 106 ILE QG2 106 ILE QG1 3.46 106 ILE QG2 107 GLN HN 3.00 106 ILE QG2 107 GLN QB 6.58 106 ILE QG2 107 GLN QG 5.90 106 ILE QG2 112 ARG+ QB 3.98 106 ILE QG2 113 ALA HA 5.10 106 ILE HG12 107 GLN HN 4.50 106 ILE HG12 112 ARG+ HB2 5.55 106 ILE HG12 112 ARG+ HB3 5.55 106 ILE HG13 107 GLN HN 4.50 106 ILE HG13 112 ARG+ HB2 5.55 106 ILE HG13 112 ARG+ HB3 5.55 106 ILE QG1 112 ARG+ QB 4.30 107 GLN HN 107 GLN HB2 3.50 107 GLN HN 107 GLN HB3 3.50 107 GLN HN 107 GLN QG 4.70 107 GLN HN 107 GLN QE2 8.87 107 GLN HN 112 ARG+ QB 5.08 107 GLN HA 107 GLN QG 3.90 107 GLN HA 107 GLN QE2 8.77 107 GLN HA 108 ARG+ HN 3.30 107 GLN HB2 108 ARG+ HN 4.30 107 GLN HB2 109 GLY HN 4.70 107 GLN HB3 108 ARG+ HN 4.30 107 GLN HB3 109 GLY HN 4.70 107 GLN QB 108 ARG+ QB 5.25 107 GLN QB 112 ARG+ QD 8.88 107 GLN QG 108 ARG+ HN 5.10 107 GLN QG 109 GLY HN 6.00 108 ARG+ HN 108 ARG+ HB2 3.80 108 ARG+ HN 108 ARG+ HB3 3.80 108 ARG+ HN 108 ARG+ QB 3.55 108 ARG+ HN 108 ARG+ QG 4.90 108 ARG+ HN 108 ARG+ QD 6.80 108 ARG+ HN 109 GLY HN 5.20 108 ARG+ HA 108 ARG+ QD 5.40 108 ARG+ HA 108 ARG+ HE 8.00 108 ARG+ HB2 109 GLY HN 3.70 108 ARG+ HB3 109 GLY HN 3.70 108 ARG+ QB 108 ARG+ HE 6.88 108 ARG+ QB 109 GLY HN 3.44 108 ARG+ QB 109 GLY QA 8.45 108 ARG+ QG 109 GLY QA 8.88 108 ARG+ HE 111 GLY HN 5.60 108 ARG+ HE 111 GLY QA 6.80 109 GLY HN 110 PRO QD 4.80 109 GLY HA1 110 PRO QD 3.80 109 GLY HA2 110 PRO QD 3.80 110 PRO HA 111 GLY HN 3.20 110 PRO HA 111 GLY QA 5.60 110 PRO HB2 111 GLY HN 4.70 110 PRO HB2 111 GLY QA 8.00 110 PRO HB3 111 GLY HN 4.70 110 PRO HB3 111 GLY QA 8.00 110 PRO QB 111 GLY HN 4.28 110 PRO QB 111 GLY QA 7.33 110 PRO QG 111 GLY HN 4.80 110 PRO QG 111 GLY QA 7.00 110 PRO QD 111 GLY HN 5.40 111 GLY HN 112 ARG+ HN 4.50 111 GLY QA 112 ARG+ HA 5.70 111 GLY QA 112 ARG+ HB2 6.80 111 GLY QA 112 ARG+ HB3 6.80 111 GLY QA 112 ARG+ QB 6.64 111 GLY QA 112 ARG+ QG 6.50 111 GLY QA 112 ARG+ QD 8.00 112 ARG+ HN 112 ARG+ HB2 3.60 112 ARG+ HN 112 ARG+ HB3 3.60 112 ARG+ HN 112 ARG+ QB 3.39 112 ARG+ HN 112 ARG+ QG 4.70 112 ARG+ HN 112 ARG+ QD 6.50 112 ARG+ HN 113 ALA HN 4.50 112 ARG+ HA 112 ARG+ QG 3.90 112 ARG+ HA 112 ARG+ QD 4.90 112 ARG+ HA 112 ARG+ HE 8.00 112 ARG+ HA 113 ALA HN 2.80 112 ARG+ HB2 112 ARG+ HE 8.00 112 ARG+ HB2 113 ALA HN 4.00 112 ARG+ HB3 112 ARG+ HE 8.00 112 ARG+ HB3 113 ALA HN 4.00 112 ARG+ QB 113 ALA HN 3.75 112 ARG+ QB 114 PHE HN 6.38 112 ARG+ QB 114 PHE CZ 8.88 112 ARG+ QG 113 ALA HN 4.80 112 ARG+ QG 114 PHE HN 7.10 112 ARG+ QG 114 PHE CZ 8.00 112 ARG+ QD 113 ALA HN 6.10 113 ALA HN 113 ALA QB 3.50 113 ALA HN 114 PHE HN 5.00 113 ALA HA 114 PHE HN 2.80 113 ALA HA 114 PHE HA 5.70 113 ALA HA 114 PHE CG 6.60 113 ALA HA 114 PHE CZ 8.00 113 ALA HA 115 VAL HN 5.30 113 ALA QB 114 PHE HN 3.70 113 ALA QB 114 PHE HA 5.30 113 ALA QB 114 PHE QB 8.88 113 ALA QB 114 PHE CG 6.50 113 ALA QB 114 PHE CZ 7.80 113 ALA QB 115 VAL HN 4.90 114 PHE HN 114 PHE HB2 3.60 114 PHE HN 114 PHE HB3 3.60 114 PHE HN 114 PHE QB 3.29 114 PHE HN 115 VAL HN 3.90 114 PHE HN 115 VAL HA 4.20 114 PHE HN 115 VAL QQG 6.90 114 PHE HA 115 VAL HN 2.90 114 PHE HA 115 VAL HA 5.10 114 PHE HA 115 VAL QQG 8.00 114 PHE HB2 115 VAL HN 4.20 114 PHE HB3 115 VAL HN 4.20 114 PHE QB 115 VAL QQG 6.48 114 PHE CG 115 VAL HN 6.40 114 PHE CG 115 VAL HA 7.40 114 PHE CG 115 VAL QQG 8.00 115 VAL HN 115 VAL HB 3.80 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 H1 ARG 1 12.880 -3.705 -0.361 2 H2 ARG 1 H2 ARG 1 14.515 -3.652 -0.355 3 H3 ARG 1 H3 ARG 1 13.668 -2.523 0.478 4 HA ARG 1 HA ARG 1 14.591 -1.716 -1.630 5 HB2 ARG 1 3HB ARG 1 12.411 -3.359 -2.928 6 HB3 ARG 1 2HB ARG 1 13.746 -2.484 -3.695 7 HG2 ARG 1 3HG ARG 1 13.950 -4.921 -1.889 8 HG3 ARG 1 2HG ARG 1 14.157 -4.926 -3.650 9 HD2 ARG 1 2HD ARG 1 16.144 -3.504 -3.518 10 HD3 ARG 1 3HD ARG 1 15.932 -3.287 -1.783 11 HE ARG 1 HE ARG 1 16.369 -5.997 -2.888 12 HH11 ARG 1 2HH2 ARG 1 17.751 -3.279 -1.051 13 HH12 ARG 1 1HH2 ARG 1 18.938 -4.246 -0.261 14 HH21 ARG 1 1HH1 ARG 1 18.075 -7.238 -1.935 15 HH22 ARG 1 2HH1 ARG 1 19.174 -6.503 -0.836 16 H LYS 2 H LYS 2 11.163 -0.100 -0.567 17 HA LYS 2 HA LYS 2 11.613 -2.749 0.563 18 HB2 LYS 2 2HB LYS 2 11.913 -0.831 2.755 19 HB3 LYS 2 3HB LYS 2 12.902 -2.201 2.341 20 HG2 LYS 2 3HG LYS 2 14.108 -0.632 0.652 21 HG3 LYS 2 2HG LYS 2 13.196 0.687 1.404 22 HD2 LYS 2 3HD LYS 2 14.220 0.147 3.570 23 HD3 LYS 2 2HD LYS 2 14.984 -1.299 2.861 24 HE2 LYS 2 3HE LYS 2 16.175 0.197 1.219 25 HE3 LYS 2 2HE LYS 2 15.505 1.603 2.052 26 HZ1 LYS 2 3HZ LYS 2 17.745 1.090 2.773 27 HZ2 LYS 2 1HZ LYS 2 16.697 0.932 4.028 28 HZ3 LYS 2 2HZ LYS 2 17.294 -0.407 3.280 29 H SER 3 H SER 3 9.597 -2.440 -0.650 30 HA SER 3 HA SER 3 7.413 -1.246 0.824 31 HB2 SER 3 2HB SER 3 8.298 -0.143 -1.873 32 HB3 SER 3 3HB SER 3 7.001 0.462 -0.820 33 HG SER 3 HG SER 3 8.749 0.849 0.749 34 H ILE 4 H ILE 4 5.436 -1.523 -0.576 35 HA ILE 4 HA ILE 4 5.651 -3.999 -2.229 36 HB ILE 4 HB ILE 4 3.711 -3.644 0.064 37 HG12 ILE 4 2HG1 ILE 4 6.525 -4.809 0.072 38 HG13 ILE 4 3HG1 ILE 4 5.895 -3.498 1.084 39 HG21 ILE 4 1HG2 ILE 4 3.461 -6.062 -0.187 40 HG22 ILE 4 2HG2 ILE 4 3.293 -5.371 -1.799 41 HG23 ILE 4 3HG2 ILE 4 4.818 -6.131 -1.329 42 HD11 ILE 4 3HD1 ILE 4 4.322 -5.113 2.125 43 HD12 ILE 4 1HD1 ILE 4 5.207 -6.414 1.270 44 HD13 ILE 4 2HD1 ILE 4 6.053 -5.382 2.445 45 H ARG 5 H ARG 5 2.415 -3.415 -1.543 46 HA ARG 5 HA ARG 5 2.186 -1.267 -3.480 47 HB2 ARG 5 2HB ARG 5 1.070 -4.108 -3.642 48 HB3 ARG 5 3HB ARG 5 0.261 -2.720 -4.342 49 HG2 ARG 5 2HG ARG 5 2.759 -2.252 -5.265 50 HG3 ARG 5 3HG ARG 5 2.811 -4.004 -5.165 51 HD2 ARG 5 2HD ARG 5 0.624 -4.054 -6.482 52 HD3 ARG 5 3HD ARG 5 0.753 -2.289 -6.637 53 HE ARG 5 HE ARG 5 3.120 -3.641 -7.572 54 HH11 ARG 5 2HH2 ARG 5 -0.164 -2.714 -8.481 55 HH12 ARG 5 1HH2 ARG 5 0.097 -2.800 -10.185 56 HH21 ARG 5 1HH1 ARG 5 3.496 -3.806 -9.873 57 HH22 ARG 5 2HH1 ARG 5 2.232 -3.442 -10.987 58 H ILE 6 H ILE 6 0.195 -0.288 -3.348 59 HA ILE 6 HA ILE 6 -1.002 -0.275 -0.675 60 HB ILE 6 HB ILE 6 -1.419 1.786 -2.811 61 HG12 ILE 6 2HG1 ILE 6 0.935 1.447 -0.918 62 HG13 ILE 6 3HG1 ILE 6 1.007 1.530 -2.673 63 HG21 ILE 6 1HG2 ILE 6 -2.545 1.504 -0.323 64 HG22 ILE 6 2HG2 ILE 6 -1.046 2.265 0.143 65 HG23 ILE 6 3HG2 ILE 6 -2.123 3.097 -0.997 66 HD11 ILE 6 3HD1 ILE 6 1.736 3.657 -1.817 67 HD12 ILE 6 1HD1 ILE 6 0.166 3.881 -2.615 68 HD13 ILE 6 2HD1 ILE 6 0.275 3.848 -0.839 69 H GLN 7 H GLN 7 -3.384 0.933 -1.889 70 HA GLN 7 HA GLN 7 -4.572 -1.273 -3.439 71 HB2 GLN 7 2HB GLN 7 -5.063 -0.626 -0.584 72 HB3 GLN 7 3HB GLN 7 -6.545 -0.542 -1.512 73 HG2 GLN 7 2HG GLN 7 -4.600 -2.886 -1.545 74 HG3 GLN 7 3HG GLN 7 -6.085 -2.812 -0.580 75 HE21 GLN 7 2HE2 GLN 7 -5.613 -4.867 -2.593 76 HE22 GLN 7 1HE2 GLN 7 -6.802 -4.584 -3.852 77 H ARG 8 H ARG 8 -7.115 -0.212 -3.542 78 HA ARG 8 HA ARG 8 -7.221 1.974 -5.267 79 HB2 ARG 8 2HB ARG 8 -9.076 1.548 -2.901 80 HB3 ARG 8 3HB ARG 8 -9.467 2.417 -4.379 81 HG2 ARG 8 2HG ARG 8 -9.398 0.331 -5.683 82 HG3 ARG 8 3HG ARG 8 -8.909 -0.590 -4.250 83 HD2 ARG 8 2HD ARG 8 -11.497 0.934 -4.608 84 HD3 ARG 8 3HD ARG 8 -11.312 -0.831 -4.591 85 HE ARG 8 HE ARG 8 -10.273 -0.271 -2.205 86 HH11 ARG 8 2HH2 ARG 8 -13.230 1.023 -3.661 87 HH12 ARG 8 1HH2 ARG 8 -13.961 1.475 -2.165 88 HH21 ARG 8 1HH1 ARG 8 -11.272 0.257 -0.181 89 HH22 ARG 8 2HH1 ARG 8 -12.823 1.005 -0.144 90 H GLY 9 H GLY 9 -6.856 1.985 -1.773 91 HA2 GLY 9 2HA GLY 9 -5.635 4.594 -1.770 92 HA3 GLY 9 3HA GLY 9 -7.153 4.512 -0.844 93 HA PRO 10 HA PRO 10 -3.688 3.240 1.851 94 HB2 PRO 10 2HB PRO 10 -4.720 4.001 4.259 95 HB3 PRO 10 3HB PRO 10 -4.107 5.149 3.028 96 HG2 PRO 10 2HG PRO 10 -6.977 4.291 3.522 97 HG3 PRO 10 3HG PRO 10 -6.336 5.965 3.393 98 HD2 PRO 10 2HD PRO 10 -7.451 4.709 1.268 99 HD3 PRO 10 3HD PRO 10 -6.006 5.749 1.055 100 H GLY 11 H GLY 11 -6.041 1.339 1.195 101 HA2 GLY 11 2HA GLY 11 -6.453 -0.411 3.410 102 HA3 GLY 11 3HA GLY 11 -6.429 -0.903 1.706 103 H ARG 12 H ARG 12 -3.483 0.316 1.690 104 HA ARG 12 HA ARG 12 -2.113 -1.548 3.454 105 HB2 ARG 12 2HB ARG 12 -2.096 -1.776 0.509 106 HB3 ARG 12 3HB ARG 12 -0.500 -1.314 1.112 107 HG2 ARG 12 2HG ARG 12 -0.409 -3.623 1.137 108 HG3 ARG 12 3HG ARG 12 -0.781 -3.201 2.825 109 HD2 ARG 12 2HD ARG 12 -3.279 -3.489 1.997 110 HD3 ARG 12 3HD ARG 12 -2.558 -4.407 0.692 111 HE ARG 12 HE ARG 12 -1.474 -5.816 2.464 112 HH11 ARG 12 2HH2 ARG 12 -4.448 -4.070 3.355 113 HH12 ARG 12 1HH2 ARG 12 -5.074 -5.338 4.331 114 HH21 ARG 12 1HH1 ARG 12 -2.237 -7.438 3.923 115 HH22 ARG 12 2HH1 ARG 12 -3.745 -7.242 4.733 116 H ALA 13 H ALA 13 0.178 -0.818 3.674 117 HA ALA 13 HA ALA 13 1.102 1.655 2.623 118 HB1 ALA 13 1HB ALA 13 -0.322 2.633 4.420 119 HB2 ALA 13 2HB ALA 13 0.427 1.540 5.610 120 HB3 ALA 13 3HB ALA 13 1.400 2.801 4.822 121 H PHE 14 H PHE 14 3.447 1.406 2.694 122 HA PHE 14 HA PHE 14 4.723 -0.211 4.694 123 HB2 PHE 14 2HB PHE 14 3.634 -1.478 2.300 124 HB3 PHE 14 3HB PHE 14 5.363 -1.633 2.321 125 HD1 PHE 14 HD1 PHE 14 6.447 -2.326 4.651 126 HD2 PHE 14 HD2 PHE 14 2.368 -3.102 3.514 127 HE1 PHE 14 HE1 PHE 14 6.310 -4.123 6.364 128 HE2 PHE 14 HE2 PHE 14 2.233 -4.900 5.219 129 HZ PHE 14 HZ PHE 14 4.204 -5.414 6.647 130 H VAL 15 H VAL 15 4.857 2.406 3.650 131 HA VAL 15 HA VAL 15 7.603 2.534 2.923 132 HB VAL 15 HB VAL 15 6.587 2.316 0.693 133 HG11 VAL 15 1HG1 VAL 15 5.023 4.838 1.369 134 HG12 VAL 15 2HG1 VAL 15 5.097 4.047 -0.220 135 HG13 VAL 15 3HG1 VAL 15 4.342 3.213 1.151 136 HG21 VAL 15 3HG2 VAL 15 8.601 3.707 0.975 137 HG22 VAL 15 1HG2 VAL 15 7.578 4.280 -0.357 138 HG23 VAL 15 2HG2 VAL 15 7.583 5.142 1.198 Start of MODEL 2 1 H1 ARG 1 H1 ARG 1 13.197 -1.383 3.558 2 H2 ARG 1 H2 ARG 1 14.146 -0.224 4.255 3 H3 ARG 1 H3 ARG 1 12.921 0.195 3.230 4 HA ARG 1 HA ARG 1 14.984 0.450 2.118 5 HB2 ARG 1 2HB ARG 1 16.397 -1.075 3.256 6 HB3 ARG 1 3HB ARG 1 15.393 -2.472 2.848 7 HG2 ARG 1 2HG ARG 1 16.104 -2.520 0.617 8 HG3 ARG 1 3HG ARG 1 16.597 -0.820 0.609 9 HD2 ARG 1 2HD ARG 1 18.609 -1.201 1.655 10 HD3 ARG 1 3HD ARG 1 18.047 -2.648 2.503 11 HE ARG 1 HE ARG 1 18.001 -3.607 0.053 12 HH11 ARG 1 2HH2 ARG 1 20.542 -1.605 1.507 13 HH12 ARG 1 1HH2 ARG 1 21.839 -2.425 0.723 14 HH21 ARG 1 1HH1 ARG 1 19.747 -4.739 -0.968 15 HH22 ARG 1 2HH1 ARG 1 21.369 -4.228 -0.712 16 H LYS 2 H LYS 2 13.490 -2.826 1.523 17 HA LYS 2 HA LYS 2 12.475 -1.797 -1.033 18 HB2 LYS 2 2HB LYS 2 12.411 -4.428 0.467 19 HB3 LYS 2 3HB LYS 2 11.136 -4.126 -0.706 20 HG2 LYS 2 2HG LYS 2 13.943 -3.550 -1.613 21 HG3 LYS 2 3HG LYS 2 13.489 -5.249 -1.390 22 HD2 LYS 2 2HD LYS 2 11.599 -5.031 -2.904 23 HD3 LYS 2 3HD LYS 2 11.829 -3.283 -3.018 24 HE2 LYS 2 2HE LYS 2 12.677 -4.366 -5.025 25 HE3 LYS 2 3HE LYS 2 13.994 -3.593 -4.136 26 HZ1 LYS 2 3HZ LYS 2 13.349 -6.477 -4.077 27 HZ2 LYS 2 1HZ LYS 2 14.588 -5.791 -4.909 28 HZ3 LYS 2 2HZ LYS 2 14.589 -5.762 -3.265 29 H SER 3 H SER 3 10.005 -2.169 -1.287 30 HA SER 3 HA SER 3 8.358 -1.477 1.036 31 HB2 SER 3 2HB SER 3 8.287 0.072 -1.583 32 HB3 SER 3 3HB SER 3 7.342 0.379 -0.120 33 HG SER 3 HG SER 3 9.033 1.791 -0.050 34 H ILE 4 H ILE 4 5.974 -1.392 -0.064 35 HA ILE 4 HA ILE 4 5.779 -3.651 -2.016 36 HB ILE 4 HB ILE 4 3.805 -3.368 0.223 37 HG12 ILE 4 2HG1 ILE 4 6.475 -4.849 0.275 38 HG13 ILE 4 3HG1 ILE 4 5.970 -3.548 1.361 39 HG21 ILE 4 1HG2 ILE 4 3.229 -5.591 -0.370 40 HG22 ILE 4 2HG2 ILE 4 3.625 -4.938 -1.967 41 HG23 ILE 4 3HG2 ILE 4 4.808 -5.906 -1.116 42 HD11 ILE 4 3HD1 ILE 4 4.873 -6.347 1.223 43 HD12 ILE 4 1HD1 ILE 4 5.658 -5.516 2.586 44 HD13 ILE 4 2HD1 ILE 4 4.032 -5.016 2.058 45 H ARG 5 H ARG 5 2.706 -3.262 -1.686 46 HA ARG 5 HA ARG 5 2.431 -0.843 -3.314 47 HB2 ARG 5 2HB ARG 5 1.672 -3.727 -3.889 48 HB3 ARG 5 3HB ARG 5 0.567 -2.456 -4.370 49 HG2 ARG 5 2HG ARG 5 3.027 -1.444 -5.160 50 HG3 ARG 5 3HG ARG 5 3.227 -3.145 -5.466 51 HD2 ARG 5 2HD ARG 5 1.707 -3.144 -7.233 52 HD3 ARG 5 3HD ARG 5 0.605 -2.058 -6.408 53 HE ARG 5 HE ARG 5 1.498 -0.251 -7.381 54 HH11 ARG 5 2HH2 ARG 5 3.686 -2.950 -7.961 55 HH12 ARG 5 1HH2 ARG 5 4.658 -2.128 -9.131 56 HH21 ARG 5 1HH1 ARG 5 2.782 0.892 -8.926 57 HH22 ARG 5 2HH1 ARG 5 4.124 0.123 -9.683 58 H ILE 6 H ILE 6 0.200 -0.135 -3.431 59 HA ILE 6 HA ILE 6 -1.123 -0.342 -0.848 60 HB ILE 6 HB ILE 6 -1.521 1.875 -2.808 61 HG12 ILE 6 2HG1 ILE 6 0.725 1.583 -0.781 62 HG13 ILE 6 3HG1 ILE 6 0.922 1.712 -2.530 63 HG21 ILE 6 1HG2 ILE 6 -2.406 2.971 -0.942 64 HG22 ILE 6 2HG2 ILE 6 -2.733 1.313 -0.388 65 HG23 ILE 6 3HG2 ILE 6 -1.305 2.145 0.175 66 HD11 ILE 6 3HD1 ILE 6 1.431 3.850 -1.522 67 HD12 ILE 6 1HD1 ILE 6 -0.046 3.991 -2.497 68 HD13 ILE 6 2HD1 ILE 6 -0.144 3.916 -0.721 69 H GLN 7 H GLN 7 -3.458 0.914 -2.064 70 HA GLN 7 HA GLN 7 -4.688 -1.223 -3.664 71 HB2 GLN 7 2HB GLN 7 -4.927 -0.827 -0.730 72 HB3 GLN 7 3HB GLN 7 -6.490 -0.734 -1.505 73 HG2 GLN 7 2HG GLN 7 -4.524 -3.005 -2.072 74 HG3 GLN 7 3HG GLN 7 -5.686 -3.054 -0.737 75 HE21 GLN 7 2HE2 GLN 7 -6.156 -5.093 -2.374 76 HE22 GLN 7 1HE2 GLN 7 -7.473 -4.737 -3.472 77 H ARG 8 H ARG 8 -7.197 -0.354 -3.685 78 HA ARG 8 HA ARG 8 -7.445 1.916 -5.240 79 HB2 ARG 8 2HB ARG 8 -9.382 0.940 -3.101 80 HB3 ARG 8 3HB ARG 8 -9.809 2.055 -4.390 81 HG2 ARG 8 2HG ARG 8 -9.860 0.440 -6.015 82 HG3 ARG 8 3HG ARG 8 -8.573 -0.528 -5.298 83 HD2 ARG 8 2HD ARG 8 -11.405 -0.335 -4.194 84 HD3 ARG 8 3HD ARG 8 -10.770 -1.650 -5.207 85 HE ARG 8 HE ARG 8 -9.104 -1.214 -2.892 86 HH11 ARG 8 2HH2 ARG 8 -12.038 -2.842 -3.981 87 HH12 ARG 8 1HH2 ARG 8 -11.944 -4.117 -2.817 88 HH21 ARG 8 1HH1 ARG 8 -8.957 -2.852 -1.362 89 HH22 ARG 8 2HH1 ARG 8 -10.170 -4.078 -1.217 90 H GLY 9 H GLY 9 -7.226 1.817 -1.731 91 HA2 GLY 9 2HA GLY 9 -6.439 4.605 -1.669 92 HA3 GLY 9 3HA GLY 9 -7.879 4.210 -0.696 93 HA PRO 10 HA PRO 10 -4.043 3.375 1.721 94 HB2 PRO 10 2HB PRO 10 -4.848 4.318 4.131 95 HB3 PRO 10 3HB PRO 10 -4.425 5.378 2.749 96 HG2 PRO 10 2HG PRO 10 -7.189 4.470 3.621 97 HG3 PRO 10 3HG PRO 10 -6.636 6.151 3.305 98 HD2 PRO 10 2HD PRO 10 -7.905 4.680 1.405 99 HD3 PRO 10 3HD PRO 10 -6.555 5.776 0.969 100 H GLY 11 H GLY 11 -6.224 1.343 1.303 101 HA2 GLY 11 2HA GLY 11 -6.584 -0.135 3.756 102 HA3 GLY 11 3HA GLY 11 -6.704 -0.800 2.118 103 H ARG 12 H ARG 12 -3.766 0.389 1.779 104 HA ARG 12 HA ARG 12 -2.226 -1.560 3.361 105 HB2 ARG 12 2HB ARG 12 -2.509 -1.395 0.393 106 HB3 ARG 12 3HB ARG 12 -0.844 -1.294 0.951 107 HG2 ARG 12 2HG ARG 12 -1.518 -3.548 0.341 108 HG3 ARG 12 3HG ARG 12 -0.928 -3.416 2.000 109 HD2 ARG 12 2HD ARG 12 -3.893 -3.207 1.597 110 HD3 ARG 12 3HD ARG 12 -3.181 -4.781 1.265 111 HE ARG 12 HE ARG 12 -3.586 -3.543 3.822 112 HH11 ARG 12 2HH2 ARG 12 -1.529 -5.818 2.080 113 HH12 ARG 12 1HH2 ARG 12 -1.010 -6.699 3.473 114 HH21 ARG 12 1HH1 ARG 12 -2.873 -4.671 5.733 115 HH22 ARG 12 2HH1 ARG 12 -1.798 -6.017 5.615 116 H ALA 13 H ALA 13 0.068 -0.826 3.417 117 HA ALA 13 HA ALA 13 0.971 1.686 2.504 118 HB1 ALA 13 1HB ALA 13 -0.450 2.664 4.279 119 HB2 ALA 13 2HB ALA 13 0.197 1.501 5.463 120 HB3 ALA 13 3HB ALA 13 1.254 2.748 4.766 121 H PHE 14 H PHE 14 3.317 1.428 2.601 122 HA PHE 14 HA PHE 14 4.615 -0.280 4.479 123 HB2 PHE 14 2HB PHE 14 3.268 -1.483 2.193 124 HB3 PHE 14 3HB PHE 14 4.972 -1.755 2.078 125 HD1 PHE 14 1HD PHE 14 6.164 -2.406 4.414 126 HD2 PHE 14 2HD PHE 14 2.046 -3.124 3.402 127 HE1 PHE 14 1HE PHE 14 6.066 -4.232 6.107 128 HE2 PHE 14 2HE PHE 14 1.945 -4.952 5.083 129 HZ PHE 14 HZ PHE 14 3.960 -5.509 6.435 130 H VAL 15 H VAL 15 4.961 2.179 3.753 131 HA VAL 15 HA VAL 15 7.521 2.245 2.405 132 HB VAL 15 HB VAL 15 6.032 2.718 0.552 133 HG11 VAL 15 1HG1 VAL 15 4.551 4.787 0.627 134 HG12 VAL 15 2HG1 VAL 15 3.989 3.399 1.572 135 HG13 VAL 15 3HG1 VAL 15 4.757 4.776 2.388 136 HG21 VAL 15 3HG2 VAL 15 8.141 4.011 0.728 137 HG22 VAL 15 1HG2 VAL 15 6.870 4.874 -0.164 138 HG23 VAL 15 2HG2 VAL 15 7.253 5.329 1.511 Start of MODEL 3 1 H1 ARG 1 H1 ARG 1 13.883 -3.527 5.193 2 H2 ARG 1 H2 ARG 1 15.187 -2.506 5.153 3 H3 ARG 1 H3 ARG 1 13.710 -1.973 5.674 4 HA ARG 1 HA ARG 1 14.039 -1.159 3.473 5 HB2 ARG 1 2HB ARG 1 15.686 -2.821 2.785 6 HB3 ARG 1 3HB ARG 1 14.484 -4.114 2.852 7 HG2 ARG 1 2HG ARG 1 13.317 -3.268 0.935 8 HG3 ARG 1 3HG ARG 1 14.201 -1.723 0.987 9 HD2 ARG 1 2HD ARG 1 16.298 -2.846 0.461 10 HD3 ARG 1 3HD ARG 1 15.511 -4.436 0.512 11 HE ARG 1 HE ARG 1 14.059 -3.098 -1.373 12 HH11 ARG 1 2HH2 ARG 1 17.517 -3.734 -0.982 13 HH12 ARG 1 1HH2 ARG 1 17.865 -3.761 -2.671 14 HH21 ARG 1 1HH1 ARG 1 14.504 -3.153 -3.655 15 HH22 ARG 1 2HH1 ARG 1 16.106 -3.436 -4.217 16 H LYS 2 H LYS 2 12.021 -0.781 2.301 17 HA LYS 2 HA LYS 2 9.920 -2.782 2.601 18 HB2 LYS 2 2HB LYS 2 8.298 -1.075 3.337 19 HB3 LYS 2 3HB LYS 2 9.465 -1.481 4.577 20 HG2 LYS 2 2HG LYS 2 10.145 0.929 2.923 21 HG3 LYS 2 3HG LYS 2 8.677 1.041 3.891 22 HD2 LYS 2 2HD LYS 2 9.932 0.478 5.937 23 HD3 LYS 2 3HD LYS 2 11.412 0.295 4.984 24 HE2 LYS 2 2HE LYS 2 11.446 2.484 6.014 25 HE3 LYS 2 3HE LYS 2 11.239 2.672 4.265 26 HZ1 LYS 2 3HZ LYS 2 8.873 3.014 4.654 27 HZ2 LYS 2 1HZ LYS 2 9.076 2.928 6.277 28 HZ3 LYS 2 2HZ LYS 2 9.753 4.129 5.357 29 H SER 3 H SER 3 8.586 -2.716 0.766 30 HA SER 3 HA SER 3 8.076 -0.563 -0.915 31 HB2 SER 3 2HB SER 3 10.500 -2.219 -1.676 32 HB3 SER 3 3HB SER 3 9.392 -1.699 -2.948 33 HG SER 3 HG SER 3 10.534 0.133 -1.122 34 H ILE 4 H ILE 4 6.007 -1.401 -1.028 35 HA ILE 4 HA ILE 4 5.745 -3.873 -2.621 36 HB ILE 4 HB ILE 4 3.915 -3.522 -0.261 37 HG12 ILE 4 2HG1 ILE 4 6.682 -4.785 -0.313 38 HG13 ILE 4 3HG1 ILE 4 6.103 -3.544 0.769 39 HG21 ILE 4 1HG2 ILE 4 4.964 -6.019 -1.667 40 HG22 ILE 4 2HG2 ILE 4 3.506 -5.866 -0.659 41 HG23 ILE 4 3HG2 ILE 4 3.553 -5.172 -2.283 42 HD11 ILE 4 3HD1 ILE 4 5.306 -6.448 0.730 43 HD12 ILE 4 1HD1 ILE 4 6.143 -5.544 2.008 44 HD13 ILE 4 2HD1 ILE 4 4.426 -5.205 1.664 45 H ARG 5 H ARG 5 2.650 -3.446 -2.037 46 HA ARG 5 HA ARG 5 2.308 -1.105 -3.759 47 HB2 ARG 5 2HB ARG 5 1.460 -3.987 -4.214 48 HB3 ARG 5 3HB ARG 5 0.439 -2.665 -4.751 49 HG2 ARG 5 2HG ARG 5 2.962 -1.831 -5.560 50 HG3 ARG 5 3HG ARG 5 3.065 -3.546 -5.808 51 HD2 ARG 5 2HD ARG 5 0.711 -1.900 -6.854 52 HD3 ARG 5 3HD ARG 5 2.232 -2.014 -7.749 53 HE ARG 5 HE ARG 5 1.445 -4.640 -7.174 54 HH11 ARG 5 2HH2 ARG 5 0.250 -1.890 -9.040 55 HH12 ARG 5 1HH2 ARG 5 -0.384 -2.828 -10.343 56 HH21 ARG 5 1HH1 ARG 5 0.619 -5.938 -8.942 57 HH22 ARG 5 2HH1 ARG 5 -0.174 -5.182 -10.272 58 H ILE 6 H ILE 6 0.151 -0.303 -3.711 59 HA ILE 6 HA ILE 6 -1.014 -0.414 -1.040 60 HB ILE 6 HB ILE 6 -1.419 1.754 -3.069 61 HG12 ILE 6 2HG1 ILE 6 0.903 1.441 -1.136 62 HG13 ILE 6 3HG1 ILE 6 1.020 1.482 -2.896 63 HG21 ILE 6 1HG2 ILE 6 -2.485 1.327 -0.518 64 HG22 ILE 6 2HG2 ILE 6 -1.057 2.251 -0.147 65 HG23 ILE 6 3HG2 ILE 6 -2.257 2.929 -1.260 66 HD11 ILE 6 3HD1 ILE 6 1.672 3.644 -2.063 67 HD12 ILE 6 1HD1 ILE 6 0.134 3.797 -2.938 68 HD13 ILE 6 2HD1 ILE 6 0.163 3.828 -1.160 69 H GLN 7 H GLN 7 -3.376 0.918 -2.113 70 HA GLN 7 HA GLN 7 -4.764 -1.211 -3.580 71 HB2 GLN 7 2HB GLN 7 -4.707 -0.863 -0.642 72 HB3 GLN 7 3HB GLN 7 -6.345 -0.711 -1.246 73 HG2 GLN 7 2HG GLN 7 -4.529 -3.015 -2.093 74 HG3 GLN 7 3HG GLN 7 -5.530 -3.072 -0.635 75 HE21 GLN 7 2HE2 GLN 7 -5.585 -3.549 -4.077 76 HE22 GLN 7 1HE2 GLN 7 -7.326 -3.684 -4.207 77 H ARG 8 H ARG 8 -7.275 -0.382 -3.240 78 HA ARG 8 HA ARG 8 -7.749 1.811 -4.870 79 HB2 ARG 8 2HB ARG 8 -9.374 0.821 -2.489 80 HB3 ARG 8 3HB ARG 8 -10.006 1.875 -3.753 81 HG2 ARG 8 2HG ARG 8 -10.009 0.200 -5.377 82 HG3 ARG 8 3HG ARG 8 -8.782 -0.780 -4.574 83 HD2 ARG 8 2HD ARG 8 -11.581 -0.335 -3.475 84 HD3 ARG 8 3HD ARG 8 -11.074 -1.738 -4.439 85 HE ARG 8 HE ARG 8 -9.301 -1.439 -2.198 86 HH11 ARG 8 2HH2 ARG 8 -12.616 -2.403 -2.935 87 HH12 ARG 8 1HH2 ARG 8 -12.700 -3.608 -1.696 88 HH21 ARG 8 1HH1 ARG 8 -9.319 -3.127 -0.726 89 HH22 ARG 8 2HH1 ARG 8 -10.787 -3.945 -0.285 90 H GLY 9 H GLY 9 -7.133 1.807 -1.407 91 HA2 GLY 9 2HA GLY 9 -6.382 4.594 -1.488 92 HA3 GLY 9 3HA GLY 9 -7.724 4.225 -0.376 93 HA PRO 10 HA PRO 10 -3.700 3.442 1.726 94 HB2 PRO 10 2HB PRO 10 -4.355 4.322 4.211 95 HB3 PRO 10 3HB PRO 10 -4.045 5.418 2.826 96 HG2 PRO 10 2HG PRO 10 -6.723 4.439 3.869 97 HG3 PRO 10 3HG PRO 10 -6.225 6.134 3.544 98 HD2 PRO 10 2HD PRO 10 -7.600 4.675 1.715 99 HD3 PRO 10 3HD PRO 10 -6.299 5.798 1.201 100 H GLY 11 H GLY 11 -5.985 1.392 1.501 101 HA2 GLY 11 2HA GLY 11 -6.153 -0.107 3.915 102 HA3 GLY 11 3HA GLY 11 -6.280 -0.782 2.280 103 H ARG 12 H ARG 12 -3.483 0.272 1.621 104 HA ARG 12 HA ARG 12 -1.783 -1.497 3.279 105 HB2 ARG 12 2HB ARG 12 -2.258 -1.559 0.330 106 HB3 ARG 12 3HB ARG 12 -0.569 -1.401 0.759 107 HG2 ARG 12 2HG ARG 12 -1.246 -3.714 0.394 108 HG3 ARG 12 3HG ARG 12 -0.570 -3.452 2.001 109 HD2 ARG 12 2HD ARG 12 -3.563 -3.326 1.679 110 HD3 ARG 12 3HD ARG 12 -2.802 -4.908 1.554 111 HE ARG 12 HE ARG 12 -3.177 -3.310 3.923 112 HH11 ARG 12 2HH2 ARG 12 -1.228 -5.901 2.543 113 HH12 ARG 12 1HH2 ARG 12 -0.735 -6.560 4.064 114 HH21 ARG 12 1HH1 ARG 12 -2.496 -4.100 5.951 115 HH22 ARG 12 2HH1 ARG 12 -1.477 -5.489 6.068 116 H ALA 13 H ALA 13 0.481 -0.771 3.165 117 HA ALA 13 HA ALA 13 1.320 1.683 2.023 118 HB1 ALA 13 1HB ALA 13 0.013 2.734 3.855 119 HB2 ALA 13 2HB ALA 13 0.792 1.658 5.042 120 HB3 ALA 13 3HB ALA 13 1.752 2.883 4.182 121 H PHE 14 H PHE 14 3.683 1.439 1.980 122 HA PHE 14 HA PHE 14 5.047 -0.265 3.856 123 HB2 PHE 14 2HB PHE 14 3.581 -1.449 1.647 124 HB3 PHE 14 3HB PHE 14 5.268 -1.738 1.422 125 HD1 PHE 14 2HD PHE 14 6.592 -2.445 3.676 126 HD2 PHE 14 1HD PHE 14 2.398 -3.040 2.952 127 HE1 PHE 14 2HE PHE 14 6.556 -4.237 5.399 128 HE2 PHE 14 1HE PHE 14 2.356 -4.836 4.667 129 HZ PHE 14 HZ PHE 14 4.439 -5.439 5.891 130 H VAL 15 H VAL 15 5.409 2.223 2.991 131 HA VAL 15 HA VAL 15 7.876 2.102 1.413 132 HB VAL 15 HB VAL 15 6.331 2.750 -0.223 133 HG11 VAL 15 1HG1 VAL 15 4.818 4.719 -0.010 134 HG12 VAL 15 2HG1 VAL 15 4.389 3.404 1.085 135 HG13 VAL 15 3HG1 VAL 15 5.240 4.835 1.712 136 HG21 VAL 15 3HG2 VAL 15 7.599 5.337 0.769 137 HG22 VAL 15 1HG2 VAL 15 8.456 4.062 -0.120 138 HG23 VAL 15 2HG2 VAL 15 7.123 4.943 -0.897 Start of MODEL 4 1 H1 ARG 1 H1 ARG 1 13.255 -5.481 -2.066 2 H2 ARG 1 H2 ARG 1 12.621 -6.728 -2.949 3 H3 ARG 1 H3 ARG 1 12.990 -5.302 -3.677 4 HA ARG 1 HA ARG 1 10.680 -5.512 -3.440 5 HB2 ARG 1 2HB ARG 1 9.586 -5.401 -1.283 6 HB3 ARG 1 3HB ARG 1 10.379 -6.922 -1.601 7 HG2 ARG 1 2HG ARG 1 11.760 -4.875 0.160 8 HG3 ARG 1 3HG ARG 1 10.435 -5.844 0.775 9 HD2 ARG 1 2HD ARG 1 11.593 -7.913 0.316 10 HD3 ARG 1 3HD ARG 1 12.922 -7.050 -0.484 11 HE ARG 1 HE ARG 1 12.504 -6.086 2.189 12 HH11 ARG 1 2HH2 ARG 1 13.809 -8.904 0.497 13 HH12 ARG 1 1HH2 ARG 1 15.040 -9.225 1.660 14 HH21 ARG 1 1HH1 ARG 1 14.140 -6.518 3.779 15 HH22 ARG 1 2HH1 ARG 1 15.200 -7.858 3.582 16 H LYS 2 H LYS 2 12.411 -3.479 -0.927 17 HA LYS 2 HA LYS 2 12.462 -1.274 -0.661 18 HB2 LYS 2 2HB LYS 2 13.442 -1.501 -3.026 19 HB3 LYS 2 3HB LYS 2 11.895 -0.883 -3.615 20 HG2 LYS 2 2HG LYS 2 12.194 1.172 -2.271 21 HG3 LYS 2 3HG LYS 2 13.686 0.507 -1.570 22 HD2 LYS 2 2HD LYS 2 14.694 0.387 -3.844 23 HD3 LYS 2 3HD LYS 2 13.226 1.131 -4.518 24 HE2 LYS 2 2HE LYS 2 13.586 3.135 -3.119 25 HE3 LYS 2 3HE LYS 2 15.007 2.383 -2.377 26 HZ1 LYS 2 3HZ LYS 2 15.617 3.911 -4.127 27 HZ2 LYS 2 1HZ LYS 2 16.070 2.385 -4.534 28 HZ3 LYS 2 2HZ LYS 2 14.747 3.068 -5.238 29 H SER 3 H SER 3 10.591 -1.641 0.642 30 HA SER 3 HA SER 3 8.483 -1.312 1.386 31 HB2 SER 3 2HB SER 3 8.022 0.479 -1.022 32 HB3 SER 3 3HB SER 3 7.094 0.430 0.483 33 HG SER 3 HG SER 3 8.802 1.233 1.590 34 H ILE 4 H ILE 4 6.058 -1.351 0.331 35 HA ILE 4 HA ILE 4 5.932 -3.759 -1.434 36 HB ILE 4 HB ILE 4 3.949 -3.208 0.757 37 HG12 ILE 4 2HG1 ILE 4 6.545 -4.790 0.904 38 HG13 ILE 4 3HG1 ILE 4 6.086 -3.404 1.892 39 HG21 ILE 4 1HG2 ILE 4 4.672 -5.967 -0.182 40 HG22 ILE 4 2HG2 ILE 4 3.081 -5.277 0.200 41 HG23 ILE 4 3HG2 ILE 4 3.857 -4.994 -1.376 42 HD11 ILE 4 3HD1 ILE 4 5.680 -5.218 3.308 43 HD12 ILE 4 1HD1 ILE 4 4.070 -4.830 2.654 44 HD13 ILE 4 2HD1 ILE 4 4.986 -6.208 2.008 45 H ARG 5 H ARG 5 2.836 -3.299 -1.223 46 HA ARG 5 HA ARG 5 2.688 -0.968 -2.994 47 HB2 ARG 5 2HB ARG 5 1.773 -3.815 -3.467 48 HB3 ARG 5 3HB ARG 5 0.879 -2.457 -4.113 49 HG2 ARG 5 2HG ARG 5 3.536 -1.803 -4.716 50 HG3 ARG 5 3HG ARG 5 3.472 -3.530 -4.925 51 HD2 ARG 5 2HD ARG 5 2.798 -2.917 -7.052 52 HD3 ARG 5 3HD ARG 5 1.208 -2.919 -6.278 53 HE ARG 5 HE ARG 5 2.770 -0.415 -6.217 54 HH11 ARG 5 2HH2 ARG 5 0.189 -2.186 -7.877 55 HH12 ARG 5 1HH2 ARG 5 -0.383 -0.818 -8.763 56 HH21 ARG 5 1HH1 ARG 5 2.030 1.412 -7.417 57 HH22 ARG 5 2HH1 ARG 5 0.692 1.267 -8.489 58 H ILE 6 H ILE 6 0.411 -0.278 -3.188 59 HA ILE 6 HA ILE 6 -0.981 -0.459 -0.634 60 HB ILE 6 HB ILE 6 -1.283 1.830 -2.523 61 HG12 ILE 6 2HG1 ILE 6 0.931 1.370 -0.490 62 HG13 ILE 6 3HG1 ILE 6 1.138 1.615 -2.228 63 HG21 ILE 6 1HG2 ILE 6 -2.603 1.261 -0.220 64 HG22 ILE 6 2HG2 ILE 6 -1.111 1.836 0.491 65 HG23 ILE 6 3HG2 ILE 6 -2.054 2.913 -0.558 66 HD11 ILE 6 3HD1 ILE 6 1.691 3.687 -1.158 67 HD12 ILE 6 1HD1 ILE 6 0.136 3.914 -1.987 68 HD13 ILE 6 2HD1 ILE 6 0.192 3.693 -0.219 69 H GLN 7 H GLN 7 -3.234 0.881 -1.934 70 HA GLN 7 HA GLN 7 -4.405 -1.216 -3.637 71 HB2 GLN 7 2HB GLN 7 -4.837 -0.814 -0.732 72 HB3 GLN 7 3HB GLN 7 -6.340 -0.674 -1.610 73 HG2 GLN 7 2HG GLN 7 -4.401 -2.997 -2.052 74 HG3 GLN 7 3HG GLN 7 -5.651 -3.020 -0.799 75 HE21 GLN 7 2HE2 GLN 7 -5.955 -5.035 -2.594 76 HE22 GLN 7 1HE2 GLN 7 -7.231 -4.643 -3.725 77 H ARG 8 H ARG 8 -6.900 -0.270 -3.807 78 HA ARG 8 HA ARG 8 -6.933 1.970 -5.436 79 HB2 ARG 8 2HB ARG 8 -9.064 1.068 -3.458 80 HB3 ARG 8 3HB ARG 8 -9.355 2.215 -4.757 81 HG2 ARG 8 2HG ARG 8 -9.312 0.629 -6.417 82 HG3 ARG 8 3HG ARG 8 -8.138 -0.400 -5.595 83 HD2 ARG 8 2HD ARG 8 -11.044 -0.095 -4.737 84 HD3 ARG 8 3HD ARG 8 -10.392 -1.422 -5.725 85 HE ARG 8 HE ARG 8 -8.875 -1.123 -3.306 86 HH11 ARG 8 2HH2 ARG 8 -11.903 -2.473 -4.510 87 HH12 ARG 8 1HH2 ARG 8 -11.955 -3.769 -3.366 88 HH21 ARG 8 1HH1 ARG 8 -8.872 -2.818 -1.868 89 HH22 ARG 8 2HH1 ARG 8 -10.209 -3.915 -1.724 90 H GLY 9 H GLY 9 -6.970 1.951 -1.924 91 HA2 GLY 9 2HA GLY 9 -6.112 4.724 -1.878 92 HA3 GLY 9 3HA GLY 9 -7.609 4.381 -0.975 93 HA PRO 10 HA PRO 10 -4.026 3.410 1.760 94 HB2 PRO 10 2HB PRO 10 -5.071 4.236 4.114 95 HB3 PRO 10 3HB PRO 10 -4.523 5.370 2.838 96 HG2 PRO 10 2HG PRO 10 -7.352 4.410 3.388 97 HG3 PRO 10 3HG PRO 10 -6.784 6.106 3.212 98 HD2 PRO 10 2HD PRO 10 -7.852 4.718 1.129 99 HD3 PRO 10 3HD PRO 10 -6.491 5.859 0.879 100 H GLY 11 H GLY 11 -6.166 1.442 0.992 101 HA2 GLY 11 2HA GLY 11 -6.853 -0.110 3.321 102 HA3 GLY 11 3HA GLY 11 -6.875 -0.678 1.645 103 H ARG 12 H ARG 12 -3.787 0.414 1.892 104 HA ARG 12 HA ARG 12 -2.530 -1.680 3.471 105 HB2 ARG 12 2HB ARG 12 -2.458 -1.441 0.483 106 HB3 ARG 12 3HB ARG 12 -0.860 -1.423 1.219 107 HG2 ARG 12 2HG ARG 12 -1.638 -3.668 0.508 108 HG3 ARG 12 3HG ARG 12 -1.203 -3.574 2.237 109 HD2 ARG 12 2HD ARG 12 -3.427 -3.583 2.937 110 HD3 ARG 12 3HD ARG 12 -4.035 -3.144 1.307 111 HE ARG 12 HE ARG 12 -2.810 -5.697 1.215 112 HH11 ARG 12 2HH2 ARG 12 -5.551 -4.001 2.655 113 HH12 ARG 12 1HH2 ARG 12 -6.670 -5.315 2.543 114 HH21 ARG 12 1HH1 ARG 12 -4.284 -7.543 1.092 115 HH22 ARG 12 2HH1 ARG 12 -5.910 -7.398 1.649 116 H ALA 13 H ALA 13 -0.180 -1.022 3.743 117 HA ALA 13 HA ALA 13 0.892 1.430 2.911 118 HB1 ALA 13 1HB ALA 13 0.996 2.539 5.176 119 HB2 ALA 13 2HB ALA 13 -0.639 2.542 4.491 120 HB3 ALA 13 3HB ALA 13 -0.212 1.378 5.768 121 H PHE 14 H PHE 14 3.213 1.103 3.253 122 HA PHE 14 HA PHE 14 4.286 -0.453 5.359 123 HB2 PHE 14 2HB PHE 14 3.365 -1.780 2.899 124 HB3 PHE 14 3HB PHE 14 5.042 -2.083 3.266 125 HD1 PHE 14 1HD PHE 14 5.589 -2.563 5.813 126 HD2 PHE 14 2HD PHE 14 1.852 -3.378 3.859 127 HE1 PHE 14 1HE PHE 14 5.107 -4.352 7.489 128 HE2 PHE 14 2HE PHE 14 1.364 -5.172 5.523 129 HZ PHE 14 HZ PHE 14 2.997 -5.658 7.334 130 H VAL 15 H VAL 15 4.778 1.856 4.836 131 HA VAL 15 HA VAL 15 7.388 2.030 3.631 132 HB VAL 15 HB VAL 15 5.862 2.442 1.715 133 HG11 VAL 15 1HG1 VAL 15 4.898 4.877 3.258 134 HG12 VAL 15 2HG1 VAL 15 4.417 4.385 1.619 135 HG13 VAL 15 3HG1 VAL 15 3.959 3.392 3.017 136 HG21 VAL 15 3HG2 VAL 15 6.835 4.610 0.995 137 HG22 VAL 15 1HG2 VAL 15 7.448 4.858 2.647 138 HG23 VAL 15 2HG2 VAL 15 8.032 3.493 1.677 Start of MODEL 5 1 H1 ARG 1 H1 ARG 1 14.956 -0.847 -4.005 2 H2 ARG 1 H2 ARG 1 15.796 0.565 -3.765 3 H3 ARG 1 H3 ARG 1 16.056 -0.759 -2.807 4 HA ARG 1 HA ARG 1 14.767 0.778 -1.578 5 HB2 ARG 1 2HB ARG 1 12.622 1.563 -2.331 6 HB3 ARG 1 3HB ARG 1 13.809 1.920 -3.584 7 HG2 ARG 1 2HG ARG 1 12.998 -0.318 -4.691 8 HG3 ARG 1 3HG ARG 1 11.613 -0.182 -3.590 9 HD2 ARG 1 2HD ARG 1 11.086 2.047 -4.522 10 HD3 ARG 1 3HD ARG 1 12.525 1.956 -5.562 11 HE ARG 1 HE ARG 1 10.812 -0.307 -5.971 12 HH11 ARG 1 2HH2 ARG 1 11.057 3.135 -6.722 13 HH12 ARG 1 1HH2 ARG 1 10.215 3.036 -8.224 14 HH21 ARG 1 1HH1 ARG 1 9.679 -0.474 -7.995 15 HH22 ARG 1 2HH1 ARG 1 9.403 0.932 -8.950 16 H LYS 2 H LYS 2 12.866 -0.034 -0.177 17 HA LYS 2 HA LYS 2 12.077 -2.800 -0.830 18 HB2 LYS 2 2HB LYS 2 13.913 -2.107 1.306 19 HB3 LYS 2 3HB LYS 2 12.364 -2.548 2.027 20 HG2 LYS 2 2HG LYS 2 12.391 -4.636 0.545 21 HG3 LYS 2 3HG LYS 2 14.073 -4.221 0.148 22 HD2 LYS 2 2HD LYS 2 14.587 -4.242 2.624 23 HD3 LYS 2 3HD LYS 2 12.912 -4.761 2.918 24 HE2 LYS 2 2HE LYS 2 13.381 -6.731 1.347 25 HE3 LYS 2 3HE LYS 2 15.086 -6.255 1.392 26 HZ1 LYS 2 3HZ LYS 2 14.983 -6.537 3.819 27 HZ2 LYS 2 1HZ LYS 2 13.433 -7.077 3.699 28 HZ3 LYS 2 2HZ LYS 2 14.656 -7.936 3.018 29 H SER 3 H SER 3 9.902 -2.587 -1.049 30 HA SER 3 HA SER 3 8.299 -1.388 1.018 31 HB2 SER 3 2HB SER 3 7.915 -0.255 -1.764 32 HB3 SER 3 3HB SER 3 7.262 0.317 -0.220 33 HG SER 3 HG SER 3 9.524 0.804 0.319 34 H ILE 4 H ILE 4 5.895 -1.511 -0.012 35 HA ILE 4 HA ILE 4 5.718 -3.897 -1.794 36 HB ILE 4 HB ILE 4 3.771 -3.407 0.443 37 HG12 ILE 4 2HG1 ILE 4 6.380 -4.978 0.483 38 HG13 ILE 4 3HG1 ILE 4 5.948 -3.622 1.520 39 HG21 ILE 4 1HG2 ILE 4 2.897 -5.458 -0.171 40 HG22 ILE 4 2HG2 ILE 4 3.668 -5.139 -1.743 41 HG23 ILE 4 3HG2 ILE 4 4.486 -6.138 -0.573 42 HD11 ILE 4 3HD1 ILE 4 4.871 -6.418 1.613 43 HD12 ILE 4 1HD1 ILE 4 5.601 -5.432 2.900 44 HD13 ILE 4 2HD1 ILE 4 3.968 -5.048 2.302 45 H ARG 5 H ARG 5 2.654 -3.452 -1.563 46 HA ARG 5 HA ARG 5 2.462 -1.066 -3.250 47 HB2 ARG 5 2HB ARG 5 1.644 -3.935 -3.815 48 HB3 ARG 5 3HB ARG 5 0.643 -2.612 -4.386 49 HG2 ARG 5 2HG ARG 5 3.201 -1.744 -5.030 50 HG3 ARG 5 3HG ARG 5 3.326 -3.455 -5.309 51 HD2 ARG 5 2HD ARG 5 1.037 -1.766 -6.426 52 HD3 ARG 5 3HD ARG 5 2.572 -1.936 -7.283 53 HE ARG 5 HE ARG 5 1.959 -4.512 -6.902 54 HH11 ARG 5 2HH2 ARG 5 -0.047 -1.863 -8.132 55 HH12 ARG 5 1HH2 ARG 5 -0.886 -2.828 -9.290 56 HH21 ARG 5 1HH1 ARG 5 0.869 -5.810 -8.491 57 HH22 ARG 5 2HH1 ARG 5 -0.350 -5.117 -9.491 58 H ILE 6 H ILE 6 0.263 -0.294 -3.363 59 HA ILE 6 HA ILE 6 -1.079 -0.475 -0.790 60 HB ILE 6 HB ILE 6 -1.396 1.781 -2.722 61 HG12 ILE 6 2HG1 ILE 6 0.857 1.346 -0.727 62 HG13 ILE 6 3HG1 ILE 6 1.030 1.530 -2.475 63 HG21 ILE 6 1HG2 ILE 6 -2.652 1.290 -0.344 64 HG22 ILE 6 2HG2 ILE 6 -1.145 1.924 0.276 65 HG23 ILE 6 3HG2 ILE 6 -2.134 2.927 -0.797 66 HD11 ILE 6 3HD1 ILE 6 1.637 3.628 -1.491 67 HD12 ILE 6 1HD1 ILE 6 0.069 3.851 -2.294 68 HD13 ILE 6 2HD1 ILE 6 0.159 3.693 -0.522 69 H GLN 7 H GLN 7 -3.362 0.874 -2.012 70 HA GLN 7 HA GLN 7 -4.611 -1.188 -3.688 71 HB2 GLN 7 2HB GLN 7 -4.923 -0.843 -0.751 72 HB3 GLN 7 3HB GLN 7 -6.459 -0.716 -1.578 73 HG2 GLN 7 2HG GLN 7 -4.495 -3.002 -2.098 74 HG3 GLN 7 3HG GLN 7 -5.735 -3.061 -0.835 75 HE21 GLN 7 2HE2 GLN 7 -6.113 -5.060 -2.566 76 HE22 GLN 7 1HE2 GLN 7 -7.370 -4.658 -3.717 77 H ARG 8 H ARG 8 -7.079 -0.265 -3.766 78 HA ARG 8 HA ARG 8 -7.240 2.013 -5.298 79 HB2 ARG 8 2HB ARG 8 -9.256 1.072 -3.217 80 HB3 ARG 8 3HB ARG 8 -9.624 2.197 -4.515 81 HG2 ARG 8 2HG ARG 8 -9.676 0.582 -6.138 82 HG3 ARG 8 3HG ARG 8 -8.405 -0.394 -5.409 83 HD2 ARG 8 2HD ARG 8 -11.255 -0.200 -4.356 84 HD3 ARG 8 3HD ARG 8 -10.597 -1.518 -5.351 85 HE ARG 8 HE ARG 8 -8.964 -1.099 -3.028 86 HH11 ARG 8 2HH2 ARG 8 -11.939 -2.654 -4.100 87 HH12 ARG 8 1HH2 ARG 8 -11.897 -3.904 -2.907 88 HH21 ARG 8 1HH1 ARG 8 -8.889 -2.695 -1.443 89 HH22 ARG 8 2HH1 ARG 8 -10.131 -3.892 -1.299 90 H GLY 9 H GLY 9 -7.114 1.923 -1.784 91 HA2 GLY 9 2HA GLY 9 -6.331 4.724 -1.717 92 HA3 GLY 9 3HA GLY 9 -7.766 4.305 -0.748 93 HA PRO 10 HA PRO 10 -3.949 3.449 1.718 94 HB2 PRO 10 2HB PRO 10 -4.791 4.365 4.120 95 HB3 PRO 10 3HB PRO 10 -4.347 5.451 2.765 96 HG2 PRO 10 2HG PRO 10 -7.123 4.523 3.574 97 HG3 PRO 10 3HG PRO 10 -6.568 6.210 3.301 98 HD2 PRO 10 2HD PRO 10 -7.804 4.770 1.352 99 HD3 PRO 10 3HD PRO 10 -6.458 5.887 0.959 100 H GLY 11 H GLY 11 -6.201 1.494 1.214 101 HA2 GLY 11 2HA GLY 11 -6.675 -0.012 3.615 102 HA3 GLY 11 3HA GLY 11 -6.778 -0.636 1.960 103 H ARG 12 H ARG 12 -3.765 0.427 1.727 104 HA ARG 12 HA ARG 12 -2.410 -1.574 3.386 105 HB2 ARG 12 2HB ARG 12 -2.497 -1.555 0.398 106 HB3 ARG 12 3HB ARG 12 -0.863 -1.435 1.046 107 HG2 ARG 12 2HG ARG 12 -1.235 -3.733 0.797 108 HG3 ARG 12 3HG ARG 12 -1.390 -3.412 2.534 109 HD2 ARG 12 2HD ARG 12 -3.955 -3.192 1.958 110 HD3 ARG 12 3HD ARG 12 -3.536 -4.056 0.496 111 HE ARG 12 HE ARG 12 -2.561 -5.825 1.987 112 HH11 ARG 12 2HH2 ARG 12 -5.088 -3.739 3.379 113 HH12 ARG 12 1HH2 ARG 12 -5.806 -4.985 4.316 114 HH21 ARG 12 1HH1 ARG 12 -3.430 -7.451 3.386 115 HH22 ARG 12 2HH1 ARG 12 -4.792 -7.099 4.383 116 H ALA 13 H ALA 13 -0.036 -0.974 3.494 117 HA ALA 13 HA ALA 13 1.001 1.504 2.651 118 HB1 ALA 13 1HB ALA 13 -0.470 2.540 4.349 119 HB2 ALA 13 2HB ALA 13 0.058 1.352 5.563 120 HB3 ALA 13 3HB ALA 13 1.204 2.554 4.931 121 H PHE 14 H PHE 14 3.341 1.176 2.878 122 HA PHE 14 HA PHE 14 4.525 -0.432 4.871 123 HB2 PHE 14 2HB PHE 14 3.410 -1.737 2.486 124 HB3 PHE 14 3HB PHE 14 5.112 -2.030 2.683 125 HD1 PHE 14 1HD PHE 14 5.895 -2.552 5.189 126 HD2 PHE 14 2HD PHE 14 2.012 -3.372 3.537 127 HE1 PHE 14 1HE PHE 14 5.562 -4.355 6.876 128 HE2 PHE 14 2HE PHE 14 1.680 -5.188 5.210 129 HZ PHE 14 HZ PHE 14 3.458 -5.678 6.878 130 H VAL 15 H VAL 15 4.930 1.929 4.240 131 HA VAL 15 HA VAL 15 7.550 2.038 3.102 132 HB VAL 15 HB VAL 15 6.262 2.391 1.071 133 HG11 VAL 15 1HG1 VAL 15 4.136 3.159 1.969 134 HG12 VAL 15 2HG1 VAL 15 4.882 4.656 2.564 135 HG13 VAL 15 3HG1 VAL 15 4.755 4.356 0.817 136 HG21 VAL 15 3HG2 VAL 15 8.357 3.668 1.409 137 HG22 VAL 15 1HG2 VAL 15 7.207 4.493 0.334 138 HG23 VAL 15 2HG2 VAL 15 7.409 5.040 2.015 Start of MODEL 6 1 H1 ARG 1 H1 ARG 1 13.974 -1.331 1.902 2 H2 ARG 1 H2 ARG 1 15.099 -2.349 1.261 3 H3 ARG 1 H3 ARG 1 13.728 -1.998 0.421 4 HA ARG 1 HA ARG 1 13.589 -4.175 1.298 5 HB2 ARG 1 2HB ARG 1 15.065 -3.898 3.220 6 HB3 ARG 1 3HB ARG 1 13.871 -2.885 4.043 7 HG2 ARG 1 2HG ARG 1 12.520 -4.680 4.577 8 HG3 ARG 1 3HG ARG 1 12.829 -5.503 3.045 9 HD2 ARG 1 2HD ARG 1 15.087 -6.156 3.827 10 HD3 ARG 1 3HD ARG 1 14.746 -5.431 5.411 11 HE ARG 1 HE ARG 1 12.648 -7.172 4.985 12 HH11 ARG 1 2HH2 ARG 1 16.168 -7.541 5.026 13 HH12 ARG 1 1HH2 ARG 1 16.143 -9.201 5.492 14 HH21 ARG 1 1HH1 ARG 1 12.598 -9.403 5.639 15 HH22 ARG 1 2HH1 ARG 1 14.070 -10.267 5.860 16 H LYS 2 H LYS 2 11.992 -1.514 3.314 17 HA LYS 2 HA LYS 2 9.408 -2.718 2.757 18 HB2 LYS 2 2HB LYS 2 10.361 -0.040 3.883 19 HB3 LYS 2 3HB LYS 2 8.706 -0.263 3.385 20 HG2 LYS 2 2HG LYS 2 8.274 -0.911 5.420 21 HG3 LYS 2 3HG LYS 2 8.923 -2.471 4.957 22 HD2 LYS 2 2HD LYS 2 10.913 -0.474 6.005 23 HD3 LYS 2 3HD LYS 2 9.654 -0.995 7.127 24 HE2 LYS 2 2HE LYS 2 10.223 -3.407 6.434 25 HE3 LYS 2 3HE LYS 2 11.706 -2.738 5.730 26 HZ1 LYS 2 3HZ LYS 2 11.966 -3.509 8.037 27 HZ2 LYS 2 1HZ LYS 2 12.285 -1.898 7.912 28 HZ3 LYS 2 2HZ LYS 2 10.860 -2.412 8.546 29 H SER 3 H SER 3 8.967 -2.912 0.568 30 HA SER 3 HA SER 3 8.251 -0.500 -0.854 31 HB2 SER 3 2HB SER 3 10.405 -2.389 -1.923 32 HB3 SER 3 3HB SER 3 9.482 -1.278 -2.946 33 HG SER 3 HG SER 3 11.038 0.037 -2.492 34 H ILE 4 H ILE 4 6.102 -1.291 -1.046 35 HA ILE 4 HA ILE 4 5.802 -3.698 -2.718 36 HB ILE 4 HB ILE 4 3.967 -3.428 -0.364 37 HG12 ILE 4 2HG1 ILE 4 6.743 -4.681 -0.388 38 HG13 ILE 4 3HG1 ILE 4 6.128 -3.453 0.701 39 HG21 ILE 4 1HG2 ILE 4 3.557 -5.743 -0.847 40 HG22 ILE 4 2HG2 ILE 4 3.705 -5.039 -2.464 41 HG23 ILE 4 3HG2 ILE 4 5.069 -5.898 -1.771 42 HD11 ILE 4 3HD1 ILE 4 4.422 -5.167 1.487 43 HD12 ILE 4 1HD1 ILE 4 5.364 -6.370 0.570 44 HD13 ILE 4 2HD1 ILE 4 6.126 -5.486 1.907 45 H ARG 5 H ARG 5 2.754 -3.368 -2.187 46 HA ARG 5 HA ARG 5 2.344 -0.994 -3.864 47 HB2 ARG 5 2HB ARG 5 1.469 -3.877 -4.241 48 HB3 ARG 5 3HB ARG 5 0.423 -2.565 -4.748 49 HG2 ARG 5 2HG ARG 5 2.878 -1.738 -5.720 50 HG3 ARG 5 3HG ARG 5 2.970 -3.466 -5.931 51 HD2 ARG 5 2HD ARG 5 0.676 -1.687 -6.902 52 HD3 ARG 5 3HD ARG 5 2.012 -2.237 -7.925 53 HE ARG 5 HE ARG 5 0.961 -4.562 -6.896 54 HH11 ARG 5 2HH2 ARG 5 -0.341 -1.867 -8.780 55 HH12 ARG 5 1HH2 ARG 5 -1.497 -2.814 -9.645 56 HH21 ARG 5 1HH1 ARG 5 -0.573 -5.865 -8.072 57 HH22 ARG 5 2HH1 ARG 5 -1.620 -5.138 -9.231 58 H ILE 6 H ILE 6 -0.016 -0.384 -3.799 59 HA ILE 6 HA ILE 6 -1.024 -0.536 -1.080 60 HB ILE 6 HB ILE 6 -1.648 1.710 -2.937 61 HG12 ILE 6 2HG1 ILE 6 0.884 1.331 -1.295 62 HG13 ILE 6 3HG1 ILE 6 0.782 1.543 -3.044 63 HG21 ILE 6 1HG2 ILE 6 -2.557 1.188 -0.432 64 HG22 ILE 6 2HG2 ILE 6 -0.975 1.806 -0.001 65 HG23 ILE 6 3HG2 ILE 6 -2.100 2.837 -0.904 66 HD11 ILE 6 3HD1 ILE 6 1.472 3.648 -2.143 67 HD12 ILE 6 1HD1 ILE 6 -0.221 3.838 -2.643 68 HD13 ILE 6 2HD1 ILE 6 0.194 3.639 -0.922 69 H GLN 7 H GLN 7 -3.504 0.684 -1.949 70 HA GLN 7 HA GLN 7 -4.835 -1.395 -3.547 71 HB2 GLN 7 2HB GLN 7 -4.923 -1.032 -0.590 72 HB3 GLN 7 3HB GLN 7 -6.513 -1.033 -1.310 73 HG2 GLN 7 2HG GLN 7 -4.459 -3.182 -1.991 74 HG3 GLN 7 3HG GLN 7 -5.501 -3.300 -0.569 75 HE21 GLN 7 2HE2 GLN 7 -5.347 -4.551 -3.605 76 HE22 GLN 7 1HE2 GLN 7 -7.071 -4.648 -3.915 77 H ARG 8 H ARG 8 -7.422 -0.391 -3.069 78 HA ARG 8 HA ARG 8 -7.580 1.780 -4.836 79 HB2 ARG 8 2HB ARG 8 -9.539 1.198 -2.569 80 HB3 ARG 8 3HB ARG 8 -9.832 2.192 -3.976 81 HG2 ARG 8 2HG ARG 8 -10.817 0.323 -4.783 82 HG3 ARG 8 3HG ARG 8 -9.176 -0.059 -5.297 83 HD2 ARG 8 2HD ARG 8 -10.277 -2.003 -4.211 84 HD3 ARG 8 3HD ARG 8 -8.866 -1.481 -3.326 85 HE ARG 8 HE ARG 8 -10.133 -0.938 -1.522 86 HH11 ARG 8 2HH2 ARG 8 -12.257 -1.411 -4.305 87 HH12 ARG 8 1HH2 ARG 8 -13.737 -1.247 -3.432 88 HH21 ARG 8 1HH1 ARG 8 -12.129 -0.684 -0.308 89 HH22 ARG 8 2HH1 ARG 8 -13.650 -0.827 -1.104 90 H GLY 9 H GLY 9 -7.185 1.832 -1.361 91 HA2 GLY 9 2HA GLY 9 -6.314 4.627 -1.459 92 HA3 GLY 9 3HA GLY 9 -7.661 4.252 -0.357 93 HA PRO 10 HA PRO 10 -3.688 3.484 1.849 94 HB2 PRO 10 2HB PRO 10 -4.432 4.291 4.330 95 HB3 PRO 10 3HB PRO 10 -4.121 5.436 2.985 96 HG2 PRO 10 2HG PRO 10 -6.794 4.344 3.926 97 HG3 PRO 10 3HG PRO 10 -6.342 6.063 3.660 98 HD2 PRO 10 2HD PRO 10 -7.623 4.598 1.759 99 HD3 PRO 10 3HD PRO 10 -6.367 5.795 1.309 100 H GLY 11 H GLY 11 -6.015 1.479 1.515 101 HA2 GLY 11 2HA GLY 11 -6.200 -0.158 3.831 102 HA3 GLY 11 3HA GLY 11 -6.362 -0.717 2.155 103 H ARG 12 H ARG 12 -3.443 0.412 1.696 104 HA ARG 12 HA ARG 12 -1.883 -1.505 3.269 105 HB2 ARG 12 2HB ARG 12 -2.309 -1.602 0.328 106 HB3 ARG 12 3HB ARG 12 -0.617 -1.355 0.746 107 HG2 ARG 12 2HG ARG 12 -1.043 -3.699 0.548 108 HG3 ARG 12 3HG ARG 12 -0.628 -3.283 2.214 109 HD2 ARG 12 2HD ARG 12 -3.493 -3.201 1.948 110 HD3 ARG 12 3HD ARG 12 -2.941 -4.679 1.188 111 HE ARG 12 HE ARG 12 -1.535 -4.834 3.436 112 HH11 ARG 12 2HH2 ARG 12 -4.868 -3.772 3.289 113 HH12 ARG 12 1HH2 ARG 12 -5.460 -4.816 4.528 114 HH21 ARG 12 1HH1 ARG 12 -2.192 -5.944 5.354 115 HH22 ARG 12 2HH1 ARG 12 -3.844 -5.920 5.843 116 H ALA 13 H ALA 13 0.507 -0.816 3.047 117 HA ALA 13 HA ALA 13 1.273 1.741 2.110 118 HB1 ALA 13 1HB ALA 13 0.005 2.629 4.047 119 HB2 ALA 13 2HB ALA 13 0.792 1.448 5.123 120 HB3 ALA 13 3HB ALA 13 1.745 2.747 4.373 121 H PHE 14 H PHE 14 3.644 1.571 2.011 122 HA PHE 14 HA PHE 14 5.082 -0.163 3.789 123 HB2 PHE 14 2HB PHE 14 3.702 -1.334 1.531 124 HB3 PHE 14 3HB PHE 14 5.403 -1.464 1.245 125 HD1 PHE 14 1HD PHE 14 6.863 -2.223 3.353 126 HD2 PHE 14 2HD PHE 14 2.666 -3.010 2.858 127 HE1 PHE 14 1HE PHE 14 7.019 -4.106 4.990 128 HE2 PHE 14 2HE PHE 14 2.815 -4.878 4.484 129 HZ PHE 14 HZ PHE 14 4.995 -5.433 5.546 130 H VAL 15 H VAL 15 5.204 2.460 2.886 131 HA VAL 15 HA VAL 15 7.790 2.602 1.599 132 HB VAL 15 HB VAL 15 6.204 2.763 -0.270 133 HG11 VAL 15 1HG1 VAL 15 4.215 3.606 0.927 134 HG12 VAL 15 2HG1 VAL 15 5.021 5.166 1.182 135 HG13 VAL 15 3HG1 VAL 15 4.612 4.632 -0.461 136 HG21 VAL 15 3HG2 VAL 15 7.431 5.471 0.362 137 HG22 VAL 15 1HG2 VAL 15 8.291 4.083 -0.334 138 HG23 VAL 15 2HG2 VAL 15 6.975 4.857 -1.243 Start of MODEL 7 1 H1 ARG 1 H1 ARG 1 14.734 -5.518 -2.008 2 H2 ARG 1 H2 ARG 1 13.852 -6.909 -1.894 3 H3 ARG 1 H3 ARG 1 13.292 -5.637 -2.786 4 HA ARG 1 HA ARG 1 12.098 -5.698 -0.727 5 HB2 ARG 1 2HB ARG 1 13.703 -6.927 0.582 6 HB3 ARG 1 3HB ARG 1 14.924 -5.664 0.407 7 HG2 ARG 1 2HG ARG 1 13.756 -4.172 1.866 8 HG3 ARG 1 3HG ARG 1 12.293 -5.191 1.871 9 HD2 ARG 1 2HD ARG 1 13.320 -6.886 3.153 10 HD3 ARG 1 3HD ARG 1 14.954 -6.338 2.735 11 HE ARG 1 HE ARG 1 13.603 -4.312 4.222 12 HH11 ARG 1 2HH2 ARG 1 15.079 -7.494 4.619 13 HH12 ARG 1 1HH2 ARG 1 15.695 -7.201 6.204 14 HH21 ARG 1 1HH1 ARG 1 14.426 -3.882 6.372 15 HH22 ARG 1 2HH1 ARG 1 15.293 -5.104 7.222 16 H LYS 2 H LYS 2 11.142 -3.710 -1.333 17 HA LYS 2 HA LYS 2 12.540 -1.292 -0.552 18 HB2 LYS 2 2HB LYS 2 13.459 -1.767 -2.881 19 HB3 LYS 2 3HB LYS 2 11.808 -1.653 -3.490 20 HG2 LYS 2 2HG LYS 2 11.984 0.670 -1.995 21 HG3 LYS 2 3HG LYS 2 13.667 0.475 -2.489 22 HD2 LYS 2 2HD LYS 2 12.992 0.444 -4.855 23 HD3 LYS 2 3HD LYS 2 11.272 0.453 -4.377 24 HE2 LYS 2 2HE LYS 2 11.625 2.612 -3.194 25 HE3 LYS 2 3HE LYS 2 13.302 2.649 -3.761 26 HZ1 LYS 2 3HZ LYS 2 12.529 2.830 -5.990 27 HZ2 LYS 2 1HZ LYS 2 10.959 2.569 -5.558 28 HZ3 LYS 2 2HZ LYS 2 11.719 3.956 -5.108 29 H SER 3 H SER 3 10.593 -1.629 0.858 30 HA SER 3 HA SER 3 8.421 -1.305 1.457 31 HB2 SER 3 2HB SER 3 8.027 0.301 -1.076 32 HB3 SER 3 3HB SER 3 7.228 0.475 0.498 33 HG SER 3 HG SER 3 8.836 2.024 0.320 34 H ILE 4 H ILE 4 6.055 -1.301 0.256 35 HA ILE 4 HA ILE 4 5.917 -3.656 -1.562 36 HB ILE 4 HB ILE 4 3.852 -3.251 0.576 37 HG12 ILE 4 2HG1 ILE 4 6.489 -4.752 0.828 38 HG13 ILE 4 3HG1 ILE 4 5.923 -3.423 1.835 39 HG21 ILE 4 1HG2 ILE 4 3.159 -5.387 -0.050 40 HG22 ILE 4 2HG2 ILE 4 3.894 -4.940 -1.605 41 HG23 ILE 4 3HG2 ILE 4 4.798 -5.916 -0.480 42 HD11 ILE 4 3HD1 ILE 4 3.905 -4.932 2.397 43 HD12 ILE 4 1HD1 ILE 4 4.903 -6.253 1.754 44 HD13 ILE 4 2HD1 ILE 4 5.476 -5.308 3.144 45 H ARG 5 H ARG 5 2.901 -3.305 -1.508 46 HA ARG 5 HA ARG 5 2.711 -0.852 -3.120 47 HB2 ARG 5 2HB ARG 5 1.819 -3.700 -3.669 48 HB3 ARG 5 3HB ARG 5 0.864 -2.350 -4.244 49 HG2 ARG 5 2HG ARG 5 3.418 -1.561 -4.961 50 HG3 ARG 5 3HG ARG 5 3.483 -3.298 -5.181 51 HD2 ARG 5 2HD ARG 5 1.286 -3.128 -6.487 52 HD3 ARG 5 3HD ARG 5 1.431 -1.364 -6.368 53 HE ARG 5 HE ARG 5 3.810 -2.445 -7.497 54 HH11 ARG 5 2HH2 ARG 5 0.419 -1.841 -8.285 55 HH12 ARG 5 1HH2 ARG 5 0.643 -1.799 -9.996 56 HH21 ARG 5 1HH1 ARG 5 4.141 -2.417 -9.817 57 HH22 ARG 5 2HH1 ARG 5 2.812 -2.132 -10.878 58 H ILE 6 H ILE 6 0.372 -0.199 -3.293 59 HA ILE 6 HA ILE 6 -1.002 -0.487 -0.752 60 HB ILE 6 HB ILE 6 -1.368 1.844 -2.581 61 HG12 ILE 6 2HG1 ILE 6 0.870 1.418 -0.566 62 HG13 ILE 6 3HG1 ILE 6 1.063 1.686 -2.299 63 HG21 ILE 6 1HG2 ILE 6 -2.631 1.155 -0.257 64 HG22 ILE 6 2HG2 ILE 6 -1.173 1.846 0.421 65 HG23 ILE 6 3HG2 ILE 6 -2.208 2.842 -0.619 66 HD11 ILE 6 3HD1 ILE 6 1.564 3.756 -1.179 67 HD12 ILE 6 1HD1 ILE 6 0.029 3.954 -2.050 68 HD13 ILE 6 2HD1 ILE 6 0.038 3.723 -0.285 69 H GLN 7 H GLN 7 -3.333 0.773 -1.929 70 HA GLN 7 HA GLN 7 -4.380 -1.201 -3.833 71 HB2 GLN 7 2HB GLN 7 -4.920 -1.083 -0.912 72 HB3 GLN 7 3HB GLN 7 -6.394 -0.945 -1.848 73 HG2 GLN 7 2HG GLN 7 -4.309 -3.107 -2.367 74 HG3 GLN 7 3HG GLN 7 -5.654 -3.311 -1.234 75 HE21 GLN 7 2HE2 GLN 7 -5.885 -5.191 -3.041 76 HE22 GLN 7 1HE2 GLN 7 -7.021 -4.743 -4.300 77 H ARG 8 H ARG 8 -6.950 -0.293 -3.896 78 HA ARG 8 HA ARG 8 -6.926 2.024 -5.377 79 HB2 ARG 8 2HB ARG 8 -8.790 0.392 -5.018 80 HB3 ARG 8 3HB ARG 8 -9.176 1.159 -3.497 81 HG2 ARG 8 2HG ARG 8 -9.114 2.709 -6.128 82 HG3 ARG 8 3HG ARG 8 -10.530 1.793 -5.626 83 HD2 ARG 8 2HD ARG 8 -9.327 4.171 -4.150 84 HD3 ARG 8 3HD ARG 8 -10.823 4.133 -5.035 85 HE ARG 8 HE ARG 8 -10.270 3.024 -2.370 86 HH11 ARG 8 2HH2 ARG 8 -12.517 3.058 -5.106 87 HH12 ARG 8 1HH2 ARG 8 -13.899 2.571 -4.196 88 HH21 ARG 8 1HH1 ARG 8 -12.136 2.412 -1.110 89 HH22 ARG 8 2HH1 ARG 8 -13.662 2.181 -1.873 90 H GLY 9 H GLY 9 -7.229 1.815 -1.894 91 HA2 GLY 9 2HA GLY 9 -6.479 4.685 -1.657 92 HA3 GLY 9 3HA GLY 9 -7.878 4.094 -0.737 93 HA PRO 10 HA PRO 10 -4.058 3.442 1.809 94 HB2 PRO 10 2HB PRO 10 -5.015 4.296 4.193 95 HB3 PRO 10 3HB PRO 10 -4.582 5.421 2.867 96 HG2 PRO 10 2HG PRO 10 -7.334 4.365 3.589 97 HG3 PRO 10 3HG PRO 10 -6.845 6.072 3.328 98 HD2 PRO 10 2HD PRO 10 -7.971 4.550 1.361 99 HD3 PRO 10 3HD PRO 10 -6.712 5.771 0.992 100 H GLY 11 H GLY 11 -6.215 1.479 1.177 101 HA2 GLY 11 2HA GLY 11 -6.860 -0.180 3.399 102 HA3 GLY 11 3HA GLY 11 -6.782 -0.673 1.698 103 H ARG 12 H ARG 12 -3.830 0.363 1.701 104 HA ARG 12 HA ARG 12 -2.480 -1.629 3.380 105 HB2 ARG 12 2HB ARG 12 -2.519 -1.482 0.396 106 HB3 ARG 12 3HB ARG 12 -0.900 -1.403 1.070 107 HG2 ARG 12 2HG ARG 12 -1.568 -3.656 0.460 108 HG3 ARG 12 3HG ARG 12 -1.111 -3.513 2.155 109 HD2 ARG 12 2HD ARG 12 -4.033 -3.263 1.546 110 HD3 ARG 12 3HD ARG 12 -3.300 -4.843 1.239 111 HE ARG 12 HE ARG 12 -2.515 -3.872 3.812 112 HH11 ARG 12 2HH2 ARG 12 -5.323 -5.185 2.159 113 HH12 ARG 12 1HH2 ARG 12 -5.972 -6.001 3.540 114 HH21 ARG 12 1HH1 ARG 12 -3.357 -4.916 5.695 115 HH22 ARG 12 2HH1 ARG 12 -4.823 -5.817 5.608 116 H ALA 13 H ALA 13 -0.072 -0.959 3.453 117 HA ALA 13 HA ALA 13 0.918 1.562 2.766 118 HB1 ALA 13 1HB ALA 13 -0.642 2.586 4.360 119 HB2 ALA 13 2HB ALA 13 -0.263 1.350 5.583 120 HB3 ALA 13 3HB ALA 13 0.960 2.549 5.114 121 H PHE 14 H PHE 14 3.244 1.311 3.147 122 HA PHE 14 HA PHE 14 4.312 -0.324 5.219 123 HB2 PHE 14 2HB PHE 14 3.395 -1.577 2.734 124 HB3 PHE 14 3HB PHE 14 5.093 -1.820 2.977 125 HD1 PHE 14 1HD PHE 14 5.799 -2.390 5.503 126 HD2 PHE 14 2HD PHE 14 2.011 -3.267 3.678 127 HE1 PHE 14 1HE PHE 14 5.441 -4.240 7.143 128 HE2 PHE 14 2HE PHE 14 1.650 -5.124 5.301 129 HZ PHE 14 HZ PHE 14 3.369 -5.610 7.031 130 H VAL 15 H VAL 15 4.691 2.159 4.492 131 HA VAL 15 HA VAL 15 7.403 2.267 3.484 132 HB VAL 15 HB VAL 15 6.032 2.505 1.449 133 HG11 VAL 15 1HG1 VAL 15 3.984 3.449 2.450 134 HG12 VAL 15 2HG1 VAL 15 4.842 4.962 2.795 135 HG13 VAL 15 3HG1 VAL 15 4.573 4.457 1.113 136 HG21 VAL 15 3HG2 VAL 15 7.338 5.131 2.233 137 HG22 VAL 15 1HG2 VAL 15 8.196 3.691 1.667 138 HG23 VAL 15 2HG2 VAL 15 7.055 4.527 0.584 Start of MODEL 8 1 H1 ARG 1 H1 ARG 1 16.944 -2.792 0.913 2 H2 ARG 1 H2 ARG 1 17.139 -2.681 2.558 3 H3 ARG 1 H3 ARG 1 16.043 -3.732 1.905 4 HA ARG 1 HA ARG 1 14.847 -1.895 2.746 5 HB2 ARG 1 2HB ARG 1 15.282 0.357 2.086 6 HB3 ARG 1 3HB ARG 1 16.803 -0.335 2.637 7 HG2 ARG 1 2HG ARG 1 17.073 -0.828 -0.031 8 HG3 ARG 1 3HG ARG 1 15.963 0.552 -0.108 9 HD2 ARG 1 2HD ARG 1 17.590 1.776 1.446 10 HD3 ARG 1 3HD ARG 1 18.680 0.384 1.277 11 HE ARG 1 HE ARG 1 17.867 1.486 -1.271 12 HH11 ARG 1 2HH2 ARG 1 20.139 1.895 1.410 13 HH12 ARG 1 1HH2 ARG 1 21.297 2.798 0.504 14 HH21 ARG 1 1HH1 ARG 1 19.404 2.735 -2.504 15 HH22 ARG 1 2HH1 ARG 1 20.858 3.286 -1.765 16 H LYS 2 H LYS 2 12.823 -1.503 1.674 17 HA LYS 2 HA LYS 2 12.520 -1.208 -1.068 18 HB2 LYS 2 2HB LYS 2 12.879 -3.996 -0.276 19 HB3 LYS 2 3HB LYS 2 11.217 -3.792 -0.794 20 HG2 LYS 2 2HG LYS 2 11.843 -3.029 -2.961 21 HG3 LYS 2 3HG LYS 2 13.503 -2.675 -2.456 22 HD2 LYS 2 2HD LYS 2 13.937 -5.076 -2.103 23 HD3 LYS 2 3HD LYS 2 12.297 -5.462 -2.683 24 HE2 LYS 2 2HE LYS 2 12.778 -4.579 -4.874 25 HE3 LYS 2 3HE LYS 2 14.274 -3.819 -4.313 26 HZ1 LYS 2 3HZ LYS 2 15.217 -5.992 -3.987 27 HZ2 LYS 2 1HZ LYS 2 13.827 -6.732 -4.472 28 HZ3 LYS 2 2HZ LYS 2 14.705 -5.838 -5.539 29 H SER 3 H SER 3 9.908 -1.956 -1.466 30 HA SER 3 HA SER 3 8.334 -1.527 0.961 31 HB2 SER 3 2HB SER 3 7.024 0.246 -0.345 32 HB3 SER 3 3HB SER 3 8.597 0.743 0.304 33 HG SER 3 HG SER 3 8.262 1.340 -1.910 34 H ILE 4 H ILE 4 5.904 -1.539 -0.019 35 HA ILE 4 HA ILE 4 5.769 -3.864 -1.910 36 HB ILE 4 HB ILE 4 3.794 -3.468 0.316 37 HG12 ILE 4 2HG1 ILE 4 6.448 -4.976 0.417 38 HG13 ILE 4 3HG1 ILE 4 5.988 -3.602 1.423 39 HG21 ILE 4 1HG2 ILE 4 3.252 -5.753 -0.142 40 HG22 ILE 4 2HG2 ILE 4 3.535 -5.127 -1.769 41 HG23 ILE 4 3HG2 ILE 4 4.796 -6.046 -0.969 42 HD11 ILE 4 3HD1 ILE 4 4.810 -6.377 1.474 43 HD12 ILE 4 1HD1 ILE 4 5.654 -5.506 2.773 44 HD13 ILE 4 2HD1 ILE 4 4.034 -4.979 2.259 45 H ARG 5 H ARG 5 2.659 -3.394 -1.535 46 HA ARG 5 HA ARG 5 2.444 -1.096 -3.339 47 HB2 ARG 5 2HB ARG 5 1.440 -3.948 -3.646 48 HB3 ARG 5 3HB ARG 5 0.556 -2.590 -4.307 49 HG2 ARG 5 2HG ARG 5 3.104 -1.991 -5.146 50 HG3 ARG 5 3HG ARG 5 3.124 -3.744 -5.178 51 HD2 ARG 5 2HD ARG 5 0.804 -3.535 -6.395 52 HD3 ARG 5 3HD ARG 5 1.231 -1.847 -6.654 53 HE ARG 5 HE ARG 5 2.221 -4.215 -7.991 54 HH11 ARG 5 2HH2 ARG 5 3.089 -0.873 -7.252 55 HH12 ARG 5 1HH2 ARG 5 4.006 -0.623 -8.695 56 HH21 ARG 5 1HH1 ARG 5 3.430 -3.911 -9.930 57 HH22 ARG 5 2HH1 ARG 5 4.219 -2.411 -10.242 58 H ILE 6 H ILE 6 0.188 -0.348 -3.407 59 HA ILE 6 HA ILE 6 -1.140 -0.479 -0.819 60 HB ILE 6 HB ILE 6 -1.394 1.764 -2.792 61 HG12 ILE 6 2HG1 ILE 6 0.805 1.341 -0.744 62 HG13 ILE 6 3HG1 ILE 6 0.996 1.513 -2.488 63 HG21 ILE 6 1HG2 ILE 6 -2.617 1.206 -0.333 64 HG22 ILE 6 2HG2 ILE 6 -1.258 2.184 0.147 65 HG23 ILE 6 3HG2 ILE 6 -2.416 2.834 -1.028 66 HD11 ILE 6 3HD1 ILE 6 0.141 3.721 -0.584 67 HD12 ILE 6 1HD1 ILE 6 1.621 3.611 -1.544 68 HD13 ILE 6 2HD1 ILE 6 0.059 3.837 -2.358 69 H GLN 7 H GLN 7 -3.442 0.832 -1.976 70 HA GLN 7 HA GLN 7 -4.597 -1.136 -3.816 71 HB2 GLN 7 2HB GLN 7 -5.024 -0.885 -0.858 72 HB3 GLN 7 3HB GLN 7 -6.505 -0.934 -1.785 73 HG2 GLN 7 2HG GLN 7 -4.360 -2.988 -2.410 74 HG3 GLN 7 3HG GLN 7 -5.339 -3.165 -0.952 75 HE21 GLN 7 2HE2 GLN 7 -5.515 -3.098 -4.551 76 HE22 GLN 7 1HE2 GLN 7 -7.147 -3.738 -4.577 77 H ARG 8 H ARG 8 -7.120 -0.279 -3.731 78 HA ARG 8 HA ARG 8 -7.363 1.998 -5.246 79 HB2 ARG 8 2HB ARG 8 -9.294 0.980 -3.121 80 HB3 ARG 8 3HB ARG 8 -9.731 2.079 -4.423 81 HG2 ARG 8 2HG ARG 8 -9.676 0.449 -6.050 82 HG3 ARG 8 3HG ARG 8 -8.434 -0.515 -5.261 83 HD2 ARG 8 2HD ARG 8 -11.315 -0.294 -4.312 84 HD3 ARG 8 3HD ARG 8 -10.634 -1.619 -5.275 85 HE ARG 8 HE ARG 8 -9.190 -1.163 -2.775 86 HH11 ARG 8 2HH2 ARG 8 -12.088 -2.655 -4.141 87 HH12 ARG 8 1HH2 ARG 8 -12.196 -3.895 -2.941 88 HH21 ARG 8 1HH1 ARG 8 -9.176 -3.024 -1.369 89 HH22 ARG 8 2HH1 ARG 8 -10.592 -3.982 -1.211 90 H GLY 9 H GLY 9 -7.172 1.873 -1.730 91 HA2 GLY 9 2HA GLY 9 -6.462 4.695 -1.643 92 HA3 GLY 9 3HA GLY 9 -7.872 4.222 -0.662 93 HA PRO 10 HA PRO 10 -3.976 3.488 1.723 94 HB2 PRO 10 2HB PRO 10 -4.807 4.366 4.151 95 HB3 PRO 10 3HB PRO 10 -4.414 5.471 2.795 96 HG2 PRO 10 2HG PRO 10 -7.149 4.458 3.643 97 HG3 PRO 10 3HG PRO 10 -6.647 6.160 3.367 98 HD2 PRO 10 2HD PRO 10 -7.874 4.696 1.434 99 HD3 PRO 10 3HD PRO 10 -6.563 5.846 1.021 100 H GLY 11 H GLY 11 -6.246 1.483 1.299 101 HA2 GLY 11 2HA GLY 11 -6.643 -0.028 3.687 102 HA3 GLY 11 3HA GLY 11 -6.735 -0.662 2.034 103 H ARG 12 H ARG 12 -3.754 0.371 1.716 104 HA ARG 12 HA ARG 12 -2.339 -1.559 3.423 105 HB2 ARG 12 2HB ARG 12 -2.545 -1.569 0.447 106 HB3 ARG 12 3HB ARG 12 -0.893 -1.463 1.009 107 HG2 ARG 12 2HG ARG 12 -1.656 -3.757 0.577 108 HG3 ARG 12 3HG ARG 12 -1.025 -3.513 2.205 109 HD2 ARG 12 2HD ARG 12 -3.978 -3.228 1.923 110 HD3 ARG 12 3HD ARG 12 -3.350 -4.834 1.570 111 HE ARG 12 HE ARG 12 -2.084 -4.247 3.903 112 HH11 ARG 12 2HH2 ARG 12 -5.474 -4.013 3.099 113 HH12 ARG 12 1HH2 ARG 12 -6.072 -4.801 4.515 114 HH21 ARG 12 1HH1 ARG 12 -2.827 -5.021 5.956 115 HH22 ARG 12 2HH1 ARG 12 -4.514 -5.246 6.235 116 H ALA 13 H ALA 13 -0.013 -0.908 3.512 117 HA ALA 13 HA ALA 13 1.003 1.526 2.498 118 HB1 ALA 13 1HB ALA 13 1.244 2.704 4.708 119 HB2 ALA 13 2HB ALA 13 -0.446 2.632 4.173 120 HB3 ALA 13 3HB ALA 13 0.135 1.522 5.437 121 H PHE 14 H PHE 14 3.348 1.233 2.690 122 HA PHE 14 HA PHE 14 4.590 -0.326 4.698 123 HB2 PHE 14 2HB PHE 14 3.356 -1.695 2.425 124 HB3 PHE 14 3HB PHE 14 5.068 -1.982 2.494 125 HD1 PHE 14 2HD PHE 14 6.077 -2.501 4.881 126 HD2 PHE 14 1HD PHE 14 2.009 -3.212 3.696 127 HE1 PHE 14 2HE PHE 14 5.870 -4.250 6.650 128 HE2 PHE 14 1HE PHE 14 1.795 -4.963 5.457 129 HZ PHE 14 HZ PHE 14 3.731 -5.483 6.930 130 H VAL 15 H VAL 15 5.018 1.994 4.023 131 HA VAL 15 HA VAL 15 7.569 2.065 2.709 132 HB VAL 15 HB VAL 15 6.073 2.424 0.800 133 HG11 VAL 15 1HG1 VAL 15 4.617 4.398 0.645 134 HG12 VAL 15 2HG1 VAL 15 4.110 3.337 1.973 135 HG13 VAL 15 3HG1 VAL 15 5.001 4.829 2.326 136 HG21 VAL 15 3HG2 VAL 15 7.038 4.493 -0.046 137 HG22 VAL 15 1HG2 VAL 15 7.478 4.995 1.602 138 HG23 VAL 15 2HG2 VAL 15 8.251 3.575 0.875 Start of MODEL 9 1 H1 ARG 1 H1 ARG 1 11.248 -7.345 2.507 2 H2 ARG 1 H2 ARG 1 11.094 -7.290 4.161 3 H3 ARG 1 H3 ARG 1 9.987 -6.556 3.168 4 HA ARG 1 HA ARG 1 11.364 -4.898 4.107 5 HB2 ARG 1 2HB ARG 1 13.674 -4.887 3.995 6 HB3 ARG 1 3HB ARG 1 13.341 -6.587 4.274 7 HG2 ARG 1 2HG ARG 1 13.425 -6.499 1.488 8 HG3 ARG 1 3HG ARG 1 14.535 -5.193 1.931 9 HD2 ARG 1 2HD ARG 1 15.587 -6.922 3.578 10 HD3 ARG 1 3HD ARG 1 14.602 -8.140 2.743 11 HE ARG 1 HE ARG 1 16.158 -6.643 0.867 12 HH11 ARG 1 2HH2 ARG 1 16.441 -9.165 3.326 13 HH12 ARG 1 1HH2 ARG 1 17.922 -9.815 2.729 14 HH21 ARG 1 1HH1 ARG 1 18.207 -7.494 0.060 15 HH22 ARG 1 2HH1 ARG 1 18.914 -8.860 0.825 16 H LYS 2 H LYS 2 12.646 -3.248 2.528 17 HA LYS 2 HA LYS 2 12.450 -1.887 0.810 18 HB2 LYS 2 2HB LYS 2 11.738 -4.349 -0.817 19 HB3 LYS 2 3HB LYS 2 11.850 -2.735 -1.506 20 HG2 LYS 2 2HG LYS 2 14.156 -2.508 -0.977 21 HG3 LYS 2 3HG LYS 2 14.141 -3.904 0.107 22 HD2 LYS 2 2HD LYS 2 13.699 -5.412 -1.790 23 HD3 LYS 2 3HD LYS 2 13.712 -4.022 -2.903 24 HE2 LYS 2 2HE LYS 2 16.045 -3.503 -2.215 25 HE3 LYS 2 3HE LYS 2 16.027 -4.877 -1.104 26 HZ1 LYS 2 3HZ LYS 2 15.786 -5.024 -4.043 27 HZ2 LYS 2 1HZ LYS 2 17.099 -5.458 -3.162 28 HZ3 LYS 2 2HZ LYS 2 15.700 -6.322 -3.041 29 H SER 3 H SER 3 10.539 -1.025 -0.862 30 HA SER 3 HA SER 3 8.157 -0.867 0.788 31 HB2 SER 3 2HB SER 3 8.482 0.145 -2.040 32 HB3 SER 3 3HB SER 3 7.466 0.792 -0.736 33 HG SER 3 HG SER 3 9.215 1.700 0.176 34 H ILE 4 H ILE 4 6.007 -1.010 -0.522 35 HA ILE 4 HA ILE 4 5.947 -3.352 -2.334 36 HB ILE 4 HB ILE 4 3.984 -3.171 -0.067 37 HG12 ILE 4 2HG1 ILE 4 6.765 -4.421 -0.010 38 HG13 ILE 4 3HG1 ILE 4 6.143 -3.169 1.067 39 HG21 ILE 4 1HG2 ILE 4 5.172 -5.611 -1.456 40 HG22 ILE 4 2HG2 ILE 4 3.621 -5.478 -0.600 41 HG23 ILE 4 3HG2 ILE 4 3.830 -4.757 -2.201 42 HD11 ILE 4 3HD1 ILE 4 4.374 -4.805 1.797 43 HD12 ILE 4 1HD1 ILE 4 5.320 -6.055 0.944 44 HD13 ILE 4 2HD1 ILE 4 6.052 -5.151 2.292 45 H ARG 5 H ARG 5 2.842 -3.089 -1.914 46 HA ARG 5 HA ARG 5 2.453 -0.671 -3.522 47 HB2 ARG 5 2HB ARG 5 1.732 -3.564 -4.106 48 HB3 ARG 5 3HB ARG 5 0.642 -2.273 -4.579 49 HG2 ARG 5 2HG ARG 5 3.093 -1.276 -5.371 50 HG3 ARG 5 3HG ARG 5 3.304 -2.969 -5.684 51 HD2 ARG 5 2HD ARG 5 0.711 -1.730 -6.657 52 HD3 ARG 5 3HD ARG 5 2.183 -1.185 -7.429 53 HE ARG 5 HE ARG 5 2.406 -3.111 -8.533 54 HH11 ARG 5 2HH2 ARG 5 0.046 -3.711 -5.969 55 HH12 ARG 5 1HH2 ARG 5 -0.406 -5.278 -6.539 56 HH21 ARG 5 1HH1 ARG 5 1.774 -5.171 -9.344 57 HH22 ARG 5 2HH1 ARG 5 0.593 -6.114 -8.519 58 H ILE 6 H ILE 6 0.154 -0.059 -3.548 59 HA ILE 6 HA ILE 6 -1.045 -0.409 -0.931 60 HB ILE 6 HB ILE 6 -1.672 1.868 -2.754 61 HG12 ILE 6 2HG1 ILE 6 0.756 1.577 -0.947 62 HG13 ILE 6 3HG1 ILE 6 0.772 1.819 -2.696 63 HG21 ILE 6 1HG2 ILE 6 -2.339 2.896 -0.736 64 HG22 ILE 6 2HG2 ILE 6 -2.708 1.211 -0.321 65 HG23 ILE 6 3HG2 ILE 6 -1.206 1.928 0.222 66 HD11 ILE 6 3HD1 ILE 6 -0.340 4.048 -2.371 67 HD12 ILE 6 1HD1 ILE 6 -0.121 3.848 -0.615 68 HD13 ILE 6 2HD1 ILE 6 1.291 3.928 -1.677 69 H GLN 7 H GLN 7 -3.530 0.715 -1.907 70 HA GLN 7 HA GLN 7 -4.644 -1.317 -3.711 71 HB2 GLN 7 2HB GLN 7 -4.999 -1.097 -0.752 72 HB3 GLN 7 3HB GLN 7 -6.513 -1.158 -1.622 73 HG2 GLN 7 2HG GLN 7 -4.345 -3.171 -2.299 74 HG3 GLN 7 3HG GLN 7 -5.325 -3.377 -0.845 75 HE21 GLN 7 2HE2 GLN 7 -5.451 -3.412 -4.435 76 HE22 GLN 7 1HE2 GLN 7 -7.090 -4.042 -4.458 77 H ARG 8 H ARG 8 -7.277 -0.485 -3.485 78 HA ARG 8 HA ARG 8 -7.490 1.772 -5.054 79 HB2 ARG 8 2HB ARG 8 -9.258 0.077 -4.409 80 HB3 ARG 8 3HB ARG 8 -9.456 0.906 -2.885 81 HG2 ARG 8 2HG ARG 8 -9.655 2.944 -4.903 82 HG3 ARG 8 3HG ARG 8 -10.551 1.566 -5.518 83 HD2 ARG 8 2HD ARG 8 -11.983 3.087 -4.237 84 HD3 ARG 8 3HD ARG 8 -11.913 1.481 -3.487 85 HE ARG 8 HE ARG 8 -9.924 2.983 -2.228 86 HH11 ARG 8 2HH2 ARG 8 -13.425 3.153 -2.614 87 HH12 ARG 8 1HH2 ARG 8 -13.723 3.953 -1.112 88 HH21 ARG 8 1HH1 ARG 8 -10.280 4.102 -0.225 89 HH22 ARG 8 2HH1 ARG 8 -11.882 4.485 0.284 90 H GLY 9 H GLY 9 -7.270 1.643 -1.578 91 HA2 GLY 9 2HA GLY 9 -6.674 4.540 -1.499 92 HA3 GLY 9 3HA GLY 9 -7.966 3.962 -0.426 93 HA PRO 10 HA PRO 10 -3.959 3.421 1.830 94 HB2 PRO 10 2HB PRO 10 -4.748 4.294 4.255 95 HB3 PRO 10 3HB PRO 10 -4.473 5.412 2.882 96 HG2 PRO 10 2HG PRO 10 -7.117 4.251 3.829 97 HG3 PRO 10 3HG PRO 10 -6.720 5.979 3.539 98 HD2 PRO 10 2HD PRO 10 -7.925 4.423 1.654 99 HD3 PRO 10 3HD PRO 10 -6.732 5.681 1.197 100 H GLY 11 H GLY 11 -5.982 1.383 1.308 101 HA2 GLY 11 2HA GLY 11 -6.506 -0.219 3.642 102 HA3 GLY 11 3HA GLY 11 -6.635 -0.721 1.945 103 H ARG 12 H ARG 12 -3.622 0.410 1.871 104 HA ARG 12 HA ARG 12 -2.091 -1.576 3.346 105 HB2 ARG 12 2HB ARG 12 -2.346 -1.386 0.362 106 HB3 ARG 12 3HB ARG 12 -0.684 -1.306 0.931 107 HG2 ARG 12 2HG ARG 12 -1.460 -3.583 0.321 108 HG3 ARG 12 3HG ARG 12 -0.848 -3.459 1.991 109 HD2 ARG 12 2HD ARG 12 -2.982 -3.546 2.926 110 HD3 ARG 12 3HD ARG 12 -3.772 -3.107 1.377 111 HE ARG 12 HE ARG 12 -2.499 -5.636 1.146 112 HH11 ARG 12 2HH2 ARG 12 -5.153 -3.997 2.796 113 HH12 ARG 12 1HH2 ARG 12 -6.286 -5.299 2.676 114 HH21 ARG 12 1HH1 ARG 12 -3.979 -7.480 1.038 115 HH22 ARG 12 2HH1 ARG 12 -5.572 -7.352 1.690 116 H ALA 13 H ALA 13 0.270 -0.763 3.275 117 HA ALA 13 HA ALA 13 0.990 1.799 2.353 118 HB1 ALA 13 1HB ALA 13 0.338 1.576 5.338 119 HB2 ALA 13 2HB ALA 13 1.328 2.865 4.620 120 HB3 ALA 13 3HB ALA 13 -0.383 2.721 4.181 121 H PHE 14 H PHE 14 3.354 1.708 2.352 122 HA PHE 14 HA PHE 14 4.832 0.107 4.200 123 HB2 PHE 14 2HB PHE 14 3.637 -1.147 1.840 124 HB3 PHE 14 3HB PHE 14 5.367 -1.255 1.793 125 HD1 PHE 14 2HD PHE 14 6.587 -1.997 4.001 126 HD2 PHE 14 1HD PHE 14 2.459 -2.805 3.108 127 HE1 PHE 14 2HE PHE 14 6.600 -3.875 5.641 128 HE2 PHE 14 1HE PHE 14 2.471 -4.690 4.732 129 HZ PHE 14 HZ PHE 14 4.540 -5.223 6.001 130 H VAL 15 H VAL 15 4.858 2.653 3.464 131 HA VAL 15 HA VAL 15 7.442 3.021 2.259 132 HB VAL 15 HB VAL 15 6.008 3.105 0.280 133 HG11 VAL 15 1HG1 VAL 15 3.863 3.712 1.294 134 HG12 VAL 15 2HG1 VAL 15 4.487 5.320 1.710 135 HG13 VAL 15 3HG1 VAL 15 4.280 4.857 0.008 136 HG21 VAL 15 3HG2 VAL 15 6.923 5.901 1.040 137 HG22 VAL 15 1HG2 VAL 15 7.967 4.609 0.419 138 HG23 VAL 15 2HG2 VAL 15 6.671 5.267 -0.603 Start of MODEL 10 1 H1 ARG 1 H1 ARG 1 11.129 -4.556 4.472 2 H2 ARG 1 H2 ARG 1 11.573 -4.177 6.015 3 H3 ARG 1 H3 ARG 1 10.667 -3.124 5.125 4 HA ARG 1 HA ARG 1 12.898 -2.347 5.258 5 HB2 ARG 1 2HB ARG 1 13.948 -4.632 5.475 6 HB3 ARG 1 3HB ARG 1 13.632 -4.899 3.767 7 HG2 ARG 1 2HG ARG 1 15.751 -4.119 3.533 8 HG3 ARG 1 3HG ARG 1 14.981 -2.532 3.568 9 HD2 ARG 1 2HD ARG 1 15.468 -2.345 5.993 10 HD3 ARG 1 3HD ARG 1 16.111 -4.001 5.987 11 HE ARG 1 HE ARG 1 17.385 -2.112 4.140 12 HH11 ARG 1 2HH2 ARG 1 17.521 -3.561 7.370 13 HH12 ARG 1 1HH2 ARG 1 19.220 -3.341 7.566 14 HH21 ARG 1 1HH1 ARG 1 19.675 -1.799 4.400 15 HH22 ARG 1 2HH1 ARG 1 20.455 -2.299 5.850 16 H LYS 2 H LYS 2 12.181 -4.345 2.271 17 HA LYS 2 HA LYS 2 12.425 -1.944 0.671 18 HB2 LYS 2 2HB LYS 2 12.673 -4.674 0.184 19 HB3 LYS 2 3HB LYS 2 11.063 -4.344 -0.479 20 HG2 LYS 2 2HG LYS 2 12.049 -2.490 -1.844 21 HG3 LYS 2 3HG LYS 2 13.638 -2.851 -1.150 22 HD2 LYS 2 2HD LYS 2 12.597 -5.329 -2.152 23 HD3 LYS 2 3HD LYS 2 12.300 -4.102 -3.397 24 HE2 LYS 2 2HE LYS 2 14.697 -3.401 -3.236 25 HE3 LYS 2 3HE LYS 2 14.973 -4.669 -2.031 26 HZ1 LYS 2 3HZ LYS 2 14.385 -6.303 -3.699 27 HZ2 LYS 2 1HZ LYS 2 14.109 -5.125 -4.817 28 HZ3 LYS 2 2HZ LYS 2 15.627 -5.368 -4.235 29 H SER 3 H SER 3 10.569 -1.160 -0.723 30 HA SER 3 HA SER 3 8.145 -0.968 0.823 31 HB2 SER 3 2HB SER 3 8.432 0.061 -1.980 32 HB3 SER 3 3HB SER 3 7.657 0.808 -0.573 33 HG SER 3 HG SER 3 9.576 1.890 -0.918 34 H ILE 4 H ILE 4 6.029 -1.007 -0.548 35 HA ILE 4 HA ILE 4 5.896 -3.274 -2.435 36 HB ILE 4 HB ILE 4 3.944 -3.150 -0.158 37 HG12 ILE 4 2HG1 ILE 4 6.684 -4.474 -0.166 38 HG13 ILE 4 3HG1 ILE 4 6.086 -3.268 0.974 39 HG21 ILE 4 1HG2 ILE 4 4.001 -4.675 -2.473 40 HG22 ILE 4 2HG2 ILE 4 4.958 -5.684 -1.424 41 HG23 ILE 4 3HG2 ILE 4 3.309 -5.242 -0.935 42 HD11 ILE 4 3HD1 ILE 4 4.253 -4.962 1.538 43 HD12 ILE 4 1HD1 ILE 4 5.314 -6.149 0.738 44 HD13 ILE 4 2HD1 ILE 4 5.910 -5.237 2.143 45 H ARG 5 H ARG 5 2.889 -3.128 -2.200 46 HA ARG 5 HA ARG 5 2.452 -0.585 -3.610 47 HB2 ARG 5 2HB ARG 5 1.721 -3.448 -4.319 48 HB3 ARG 5 3HB ARG 5 0.613 -2.152 -4.722 49 HG2 ARG 5 2HG ARG 5 3.019 -1.081 -5.524 50 HG3 ARG 5 3HG ARG 5 3.258 -2.764 -5.899 51 HD2 ARG 5 2HD ARG 5 0.780 -1.186 -6.755 52 HD3 ARG 5 3HD ARG 5 2.236 -1.289 -7.751 53 HE ARG 5 HE ARG 5 1.642 -3.912 -7.238 54 HH11 ARG 5 2HH2 ARG 5 -0.181 -1.223 -8.639 55 HH12 ARG 5 1HH2 ARG 5 -1.040 -2.188 -9.784 56 HH21 ARG 5 1HH1 ARG 5 0.521 -5.225 -8.802 57 HH22 ARG 5 2HH1 ARG 5 -0.626 -4.514 -9.871 58 H ILE 6 H ILE 6 0.080 -0.064 -3.634 59 HA ILE 6 HA ILE 6 -1.055 -0.444 -0.993 60 HB ILE 6 HB ILE 6 -1.694 1.870 -2.766 61 HG12 ILE 6 2HG1 ILE 6 0.733 1.554 -0.962 62 HG13 ILE 6 3HG1 ILE 6 0.754 1.831 -2.705 63 HG21 ILE 6 1HG2 ILE 6 -1.227 1.898 0.201 64 HG22 ILE 6 2HG2 ILE 6 -2.405 2.829 -0.739 65 HG23 ILE 6 3HG2 ILE 6 -2.704 1.125 -0.334 66 HD11 ILE 6 3HD1 ILE 6 -0.393 4.045 -2.329 67 HD12 ILE 6 1HD1 ILE 6 -0.155 3.809 -0.580 68 HD13 ILE 6 2HD1 ILE 6 1.246 3.928 -1.653 69 H GLN 7 H GLN 7 -3.540 0.717 -1.942 70 HA GLN 7 HA GLN 7 -4.682 -1.337 -3.708 71 HB2 GLN 7 2HB GLN 7 -4.901 -1.217 -0.753 72 HB3 GLN 7 3HB GLN 7 -6.480 -1.142 -1.506 73 HG2 GLN 7 2HG GLN 7 -4.382 -3.223 -2.263 74 HG3 GLN 7 3HG GLN 7 -5.578 -3.474 -0.982 75 HE21 GLN 7 2HE2 GLN 7 -5.751 -5.332 -2.942 76 HE22 GLN 7 1HE2 GLN 7 -7.125 -4.969 -3.972 77 H ARG 8 H ARG 8 -7.310 -0.557 -3.469 78 HA ARG 8 HA ARG 8 -7.551 1.713 -5.012 79 HB2 ARG 8 2HB ARG 8 -9.315 0.019 -4.381 80 HB3 ARG 8 3HB ARG 8 -9.538 0.851 -2.856 81 HG2 ARG 8 2HG ARG 8 -9.681 2.774 -5.068 82 HG3 ARG 8 3HG ARG 8 -10.764 1.420 -5.367 83 HD2 ARG 8 2HD ARG 8 -11.986 3.128 -4.157 84 HD3 ARG 8 3HD ARG 8 -11.793 1.709 -3.138 85 HE ARG 8 HE ARG 8 -10.464 2.890 -1.671 86 HH11 ARG 8 2HH2 ARG 8 -10.728 4.752 -4.663 87 HH12 ARG 8 1HH2 ARG 8 -10.223 6.251 -3.977 88 HH21 ARG 8 1HH1 ARG 8 -9.929 4.949 -0.688 89 HH22 ARG 8 2HH1 ARG 8 -9.691 6.337 -1.686 90 H GLY 9 H GLY 9 -7.381 1.576 -1.532 91 HA2 GLY 9 2HA GLY 9 -6.858 4.504 -1.411 92 HA3 GLY 9 3HA GLY 9 -8.071 3.802 -0.316 93 HA PRO 10 HA PRO 10 -3.936 3.494 1.756 94 HB2 PRO 10 2HB PRO 10 -4.648 4.438 4.187 95 HB3 PRO 10 3HB PRO 10 -4.420 5.509 2.769 96 HG2 PRO 10 2HG PRO 10 -7.021 4.399 3.868 97 HG3 PRO 10 3HG PRO 10 -6.638 6.104 3.455 98 HD2 PRO 10 2HD PRO 10 -7.921 4.408 1.733 99 HD3 PRO 10 3HD PRO 10 -6.798 5.675 1.146 100 H GLY 11 H GLY 11 -6.077 1.445 1.449 101 HA2 GLY 11 2HA GLY 11 -6.439 -0.109 3.811 102 HA3 GLY 11 3HA GLY 11 -6.561 -0.677 2.134 103 H ARG 12 H ARG 12 -3.674 0.363 1.687 104 HA ARG 12 HA ARG 12 -2.090 -1.535 3.282 105 HB2 ARG 12 2HB ARG 12 -2.440 -1.451 0.315 106 HB3 ARG 12 3HB ARG 12 -0.763 -1.340 0.814 107 HG2 ARG 12 2HG ARG 12 -1.591 -3.622 0.294 108 HG3 ARG 12 3HG ARG 12 -0.763 -3.452 1.839 109 HD2 ARG 12 2HD ARG 12 -3.765 -3.259 1.819 110 HD3 ARG 12 3HD ARG 12 -3.031 -4.845 1.539 111 HE ARG 12 HE ARG 12 -1.729 -3.790 3.768 112 HH11 ARG 12 2HH2 ARG 12 -5.008 -4.731 2.932 113 HH12 ARG 12 1HH2 ARG 12 -5.453 -5.252 4.521 114 HH21 ARG 12 1HH1 ARG 12 -2.308 -4.371 5.932 115 HH22 ARG 12 2HH1 ARG 12 -3.871 -5.013 6.269 116 H ALA 13 H ALA 13 0.318 -0.805 3.001 117 HA ALA 13 HA ALA 13 1.049 1.814 2.298 118 HB1 ALA 13 1HB ALA 13 -0.306 2.634 4.174 119 HB2 ALA 13 2HB ALA 13 0.340 1.367 5.245 120 HB3 ALA 13 3HB ALA 13 1.396 2.675 4.668 121 H PHE 14 H PHE 14 3.390 1.688 2.280 122 HA PHE 14 HA PHE 14 4.875 0.003 4.050 123 HB2 PHE 14 2HB PHE 14 3.617 -1.165 1.688 124 HB3 PHE 14 3HB PHE 14 5.337 -1.280 1.565 125 HD1 PHE 14 1HD PHE 14 6.616 -2.033 3.781 126 HD2 PHE 14 2HD PHE 14 2.515 -2.928 2.849 127 HE1 PHE 14 1HE PHE 14 6.683 -3.974 5.348 128 HE2 PHE 14 2HE PHE 14 2.584 -4.879 4.395 129 HZ PHE 14 HZ PHE 14 4.667 -5.397 5.646 130 H VAL 15 H VAL 15 4.938 2.600 3.329 131 HA VAL 15 HA VAL 15 7.480 2.894 1.950 132 HB VAL 15 HB VAL 15 5.885 3.157 0.136 133 HG11 VAL 15 1HG1 VAL 15 4.544 5.257 1.889 134 HG12 VAL 15 2HG1 VAL 15 4.200 5.013 0.166 135 HG13 VAL 15 3HG1 VAL 15 3.845 3.725 1.329 136 HG21 VAL 15 3HG2 VAL 15 6.936 5.880 0.998 137 HG22 VAL 15 1HG2 VAL 15 7.873 4.626 0.167 138 HG23 VAL 15 2HG2 VAL 15 6.493 5.389 -0.651 Start of MODEL 11 1 H1 ARG 1 H1 ARG 1 7.462 -6.415 4.040 2 H2 ARG 1 H2 ARG 1 8.437 -7.707 4.400 3 H3 ARG 1 H3 ARG 1 8.609 -6.264 5.194 4 HA ARG 1 HA ARG 1 10.362 -6.412 3.613 5 HB2 ARG 1 2HB ARG 1 9.500 -8.002 2.087 6 HB3 ARG 1 3HB ARG 1 8.038 -7.062 1.758 7 HG2 ARG 1 2HG ARG 1 9.173 -5.471 0.460 8 HG3 ARG 1 3HG ARG 1 10.771 -5.966 1.047 9 HD2 ARG 1 2HD ARG 1 11.010 -7.401 -0.641 10 HD3 ARG 1 3HD ARG 1 9.570 -8.286 -0.118 11 HE ARG 1 HE ARG 1 8.938 -5.902 -1.645 12 HH11 ARG 1 2HH2 ARG 1 10.070 -9.242 -1.947 13 HH12 ARG 1 1HH2 ARG 1 9.429 -9.499 -3.527 14 HH21 ARG 1 1HH1 ARG 1 8.051 -6.228 -3.775 15 HH22 ARG 1 2HH1 ARG 1 8.253 -7.738 -4.590 16 H LYS 2 H LYS 2 11.060 -4.343 2.520 17 HA LYS 2 HA LYS 2 9.059 -2.194 2.938 18 HB2 LYS 2 2HB LYS 2 12.086 -2.267 2.679 19 HB3 LYS 2 3HB LYS 2 11.228 -0.861 2.066 20 HG2 LYS 2 2HG LYS 2 10.051 -0.804 4.403 21 HG3 LYS 2 3HG LYS 2 11.423 -1.810 4.925 22 HD2 LYS 2 2HD LYS 2 12.976 -0.055 3.977 23 HD3 LYS 2 3HD LYS 2 11.551 0.901 3.519 24 HE2 LYS 2 2HE LYS 2 10.906 0.688 6.058 25 HE3 LYS 2 3HE LYS 2 12.617 0.284 6.282 26 HZ1 LYS 2 3HZ LYS 2 12.267 2.632 6.541 27 HZ2 LYS 2 1HZ LYS 2 13.134 2.404 5.162 28 HZ3 LYS 2 2HZ LYS 2 11.529 2.762 5.081 29 H SER 3 H SER 3 8.645 -0.689 1.213 30 HA SER 3 HA SER 3 8.149 -0.081 -0.870 31 HB2 SER 3 2HB SER 3 10.661 -1.637 -1.510 32 HB3 SER 3 3HB SER 3 9.731 -0.745 -2.727 33 HG SER 3 HG SER 3 10.633 0.437 -0.306 34 H ILE 4 H ILE 4 6.182 -0.922 -1.073 35 HA ILE 4 HA ILE 4 5.941 -3.323 -2.753 36 HB ILE 4 HB ILE 4 4.087 -3.074 -0.405 37 HG12 ILE 4 2HG1 ILE 4 6.866 -4.317 -0.436 38 HG13 ILE 4 3HG1 ILE 4 6.258 -3.087 0.662 39 HG21 ILE 4 1HG2 ILE 4 3.662 -5.369 -0.922 40 HG22 ILE 4 2HG2 ILE 4 3.872 -4.675 -2.534 41 HG23 ILE 4 3HG2 ILE 4 5.201 -5.547 -1.796 42 HD11 ILE 4 3HD1 ILE 4 6.333 -5.193 1.790 43 HD12 ILE 4 1HD1 ILE 4 4.629 -4.730 1.562 44 HD13 ILE 4 2HD1 ILE 4 5.382 -5.975 0.524 45 H ARG 5 H ARG 5 2.904 -3.018 -2.266 46 HA ARG 5 HA ARG 5 2.469 -0.553 -3.780 47 HB2 ARG 5 2HB ARG 5 1.722 -3.432 -4.405 48 HB3 ARG 5 3HB ARG 5 0.575 -2.158 -4.769 49 HG2 ARG 5 2HG ARG 5 2.948 -1.079 -5.690 50 HG3 ARG 5 3HG ARG 5 3.182 -2.765 -6.050 51 HD2 ARG 5 2HD ARG 5 1.585 -2.768 -7.733 52 HD3 ARG 5 3HD ARG 5 0.472 -1.781 -6.808 53 HE ARG 5 HE ARG 5 1.239 0.129 -7.717 54 HH11 ARG 5 2HH2 ARG 5 3.419 -2.473 -8.668 55 HH12 ARG 5 1HH2 ARG 5 4.237 -1.562 -9.890 56 HH21 ARG 5 1HH1 ARG 5 2.321 1.385 -9.328 57 HH22 ARG 5 2HH1 ARG 5 3.593 0.693 -10.260 58 H ILE 6 H ILE 6 0.130 -0.007 -3.732 59 HA ILE 6 HA ILE 6 -0.907 -0.298 -1.029 60 HB ILE 6 HB ILE 6 -1.600 1.889 -2.956 61 HG12 ILE 6 2HG1 ILE 6 0.799 1.701 -1.102 62 HG13 ILE 6 3HG1 ILE 6 0.826 1.902 -2.858 63 HG21 ILE 6 1HG2 ILE 6 -1.267 2.365 -0.049 64 HG22 ILE 6 2HG2 ILE 6 -2.613 2.809 -1.111 65 HG23 ILE 6 3HG2 ILE 6 -2.509 1.185 -0.383 66 HD11 ILE 6 3HD1 ILE 6 -0.401 4.116 -2.535 67 HD12 ILE 6 1HD1 ILE 6 0.015 3.980 -0.808 68 HD13 ILE 6 2HD1 ILE 6 1.297 4.047 -2.022 69 H GLN 7 H GLN 7 -3.443 0.759 -1.960 70 HA GLN 7 HA GLN 7 -4.585 -1.383 -3.610 71 HB2 GLN 7 2HB GLN 7 -4.701 -1.222 -0.659 72 HB3 GLN 7 3HB GLN 7 -6.314 -1.151 -1.339 73 HG2 GLN 7 2HG GLN 7 -4.226 -3.234 -2.117 74 HG3 GLN 7 3HG GLN 7 -5.448 -3.482 -0.858 75 HE21 GLN 7 2HE2 GLN 7 -5.237 -5.106 -3.312 76 HE22 GLN 7 1HE2 GLN 7 -6.745 -4.819 -4.161 77 H ARG 8 H ARG 8 -7.237 -0.659 -3.284 78 HA ARG 8 HA ARG 8 -7.568 1.569 -4.886 79 HB2 ARG 8 2HB ARG 8 -9.267 -0.163 -4.181 80 HB3 ARG 8 3HB ARG 8 -9.471 0.688 -2.664 81 HG2 ARG 8 2HG ARG 8 -9.721 2.580 -4.888 82 HG3 ARG 8 3HG ARG 8 -10.766 1.191 -5.164 83 HD2 ARG 8 2HD ARG 8 -12.007 2.884 -3.933 84 HD3 ARG 8 3HD ARG 8 -11.778 1.455 -2.933 85 HE ARG 8 HE ARG 8 -10.454 2.639 -1.465 86 HH11 ARG 8 2HH2 ARG 8 -10.735 4.522 -4.438 87 HH12 ARG 8 1HH2 ARG 8 -10.279 6.029 -3.735 88 HH21 ARG 8 1HH1 ARG 8 -9.998 4.704 -0.452 89 HH22 ARG 8 2HH1 ARG 8 -9.786 6.110 -1.433 90 H GLY 9 H GLY 9 -7.279 1.487 -1.417 91 HA2 GLY 9 2HA GLY 9 -6.729 4.399 -1.364 92 HA3 GLY 9 3HA GLY 9 -7.954 3.767 -0.241 93 HA PRO 10 HA PRO 10 -3.814 3.457 1.801 94 HB2 PRO 10 2HB PRO 10 -4.538 4.289 4.279 95 HB3 PRO 10 3HB PRO 10 -4.350 5.415 2.895 96 HG2 PRO 10 2HG PRO 10 -6.910 4.172 3.953 97 HG3 PRO 10 3HG PRO 10 -6.586 5.907 3.622 98 HD2 PRO 10 2HD PRO 10 -7.821 4.288 1.815 99 HD3 PRO 10 3HD PRO 10 -6.686 5.571 1.286 100 H GLY 11 H GLY 11 -5.951 1.337 1.521 101 HA2 GLY 11 2HA GLY 11 -6.157 -0.310 3.814 102 HA3 GLY 11 3HA GLY 11 -6.248 -0.837 2.124 103 H ARG 12 H ARG 12 -3.430 0.351 1.672 104 HA ARG 12 HA ARG 12 -1.712 -1.449 3.235 105 HB2 ARG 12 2HB ARG 12 -2.174 -1.444 0.279 106 HB3 ARG 12 3HB ARG 12 -0.486 -1.270 0.730 107 HG2 ARG 12 2HG ARG 12 -1.137 -3.568 0.269 108 HG3 ARG 12 3HG ARG 12 -0.439 -3.353 1.872 109 HD2 ARG 12 2HD ARG 12 -3.434 -3.270 1.667 110 HD3 ARG 12 3HD ARG 12 -2.646 -4.825 1.358 111 HE ARG 12 HE ARG 12 -1.606 -3.631 3.742 112 HH11 ARG 12 2HH2 ARG 12 -4.491 -5.246 2.551 113 HH12 ARG 12 1HH2 ARG 12 -4.928 -5.955 4.067 114 HH21 ARG 12 1HH1 ARG 12 -2.164 -4.529 5.794 115 HH22 ARG 12 2HH1 ARG 12 -3.564 -5.521 5.960 116 H ALA 13 H ALA 13 0.602 -0.627 3.026 117 HA ALA 13 HA ALA 13 1.320 1.893 2.016 118 HB1 ALA 13 1HB ALA 13 0.632 1.798 5.000 119 HB2 ALA 13 2HB ALA 13 1.636 3.052 4.242 120 HB3 ALA 13 3HB ALA 13 -0.071 2.896 3.790 121 H PHE 14 H PHE 14 3.690 1.779 2.046 122 HA PHE 14 HA PHE 14 5.074 0.223 4.034 123 HB2 PHE 14 2HB PHE 14 3.899 -1.103 1.722 124 HB3 PHE 14 3HB PHE 14 5.624 -1.251 1.658 125 HD1 PHE 14 1HD PHE 14 6.758 -1.717 4.079 126 HD2 PHE 14 2HD PHE 14 2.767 -2.811 2.926 127 HE1 PHE 14 1HE PHE 14 6.721 -3.442 5.869 128 HE2 PHE 14 2HE PHE 14 2.728 -4.557 4.701 129 HZ PHE 14 HZ PHE 14 4.702 -4.870 6.177 130 H VAL 15 H VAL 15 5.234 2.771 3.015 131 HA VAL 15 HA VAL 15 7.794 2.847 1.576 132 HB VAL 15 HB VAL 15 6.078 3.195 -0.092 133 HG11 VAL 15 1HG1 VAL 15 5.001 5.437 1.673 134 HG12 VAL 15 2HG1 VAL 15 4.468 5.072 0.020 135 HG13 VAL 15 3HG1 VAL 15 4.185 3.903 1.317 136 HG21 VAL 15 3HG2 VAL 15 7.334 5.865 0.666 137 HG22 VAL 15 1HG2 VAL 15 8.132 4.563 -0.239 138 HG23 VAL 15 2HG2 VAL 15 6.728 5.397 -0.939 Start of MODEL 12 1 H1 ARG 1 H1 ARG 1 13.931 -4.742 -3.374 2 H2 ARG 1 H2 ARG 1 13.187 -5.343 -4.715 3 H3 ARG 1 H3 ARG 1 13.095 -3.739 -4.377 4 HA ARG 1 HA ARG 1 11.029 -4.741 -3.828 5 HB2 ARG 1 2HB ARG 1 10.843 -6.608 -2.350 6 HB3 ARG 1 3HB ARG 1 12.033 -7.017 -3.581 7 HG2 ARG 1 2HG ARG 1 13.813 -6.220 -1.810 8 HG3 ARG 1 3HG ARG 1 12.499 -6.374 -0.643 9 HD2 ARG 1 2HD ARG 1 12.147 -8.727 -1.334 10 HD3 ARG 1 3HD ARG 1 13.513 -8.587 -2.464 11 HE ARG 1 HE ARG 1 14.496 -7.758 -0.003 12 HH11 ARG 1 2HH2 ARG 1 13.053 -10.729 -1.257 13 HH12 ARG 1 1HH2 ARG 1 13.891 -11.781 -0.175 14 HH21 ARG 1 1HH1 ARG 1 15.649 -9.147 1.447 15 HH22 ARG 1 2HH1 ARG 1 15.404 -10.851 1.394 16 H LYS 2 H LYS 2 12.349 -2.241 -3.028 17 HA LYS 2 HA LYS 2 12.298 -2.313 -0.096 18 HB2 LYS 2 2HB LYS 2 13.024 -0.298 -2.221 19 HB3 LYS 2 3HB LYS 2 12.268 0.351 -0.762 20 HG2 LYS 2 2HG LYS 2 13.934 -0.766 0.661 21 HG3 LYS 2 3HG LYS 2 14.732 -1.440 -0.776 22 HD2 LYS 2 2HD LYS 2 15.220 0.842 -1.588 23 HD3 LYS 2 3HD LYS 2 14.362 1.536 -0.192 24 HE2 LYS 2 2HE LYS 2 15.960 0.476 1.354 25 HE3 LYS 2 3HE LYS 2 16.802 -0.287 -0.004 26 HZ1 LYS 2 3HZ LYS 2 17.387 1.905 -0.802 27 HZ2 LYS 2 1HZ LYS 2 16.582 2.626 0.441 28 HZ3 LYS 2 2HZ LYS 2 17.914 1.712 0.742 29 H SER 3 H SER 3 10.489 -1.813 1.073 30 HA SER 3 HA SER 3 8.328 -1.433 1.573 31 HB2 SER 3 2HB SER 3 8.137 0.288 -0.913 32 HB3 SER 3 3HB SER 3 7.224 0.418 0.602 33 HG SER 3 HG SER 3 8.899 1.921 0.595 34 H ILE 4 H ILE 4 5.987 -1.363 0.385 35 HA ILE 4 HA ILE 4 5.888 -3.656 -1.521 36 HB ILE 4 HB ILE 4 3.813 -3.301 0.618 37 HG12 ILE 4 2HG1 ILE 4 6.437 -4.835 0.804 38 HG13 ILE 4 3HG1 ILE 4 5.906 -3.521 1.849 39 HG21 ILE 4 1HG2 ILE 4 3.925 -4.949 -1.638 40 HG22 ILE 4 2HG2 ILE 4 4.677 -5.971 -0.447 41 HG23 ILE 4 3HG2 ILE 4 3.044 -5.346 -0.142 42 HD11 ILE 4 3HD1 ILE 4 4.846 -6.331 1.739 43 HD12 ILE 4 1HD1 ILE 4 5.451 -5.407 3.129 44 HD13 ILE 4 2HD1 ILE 4 3.873 -5.003 2.408 45 H ARG 5 H ARG 5 2.877 -3.331 -1.512 46 HA ARG 5 HA ARG 5 2.675 -0.822 -3.022 47 HB2 ARG 5 2HB ARG 5 1.974 -3.671 -3.773 48 HB3 ARG 5 3HB ARG 5 0.890 -2.384 -4.266 49 HG2 ARG 5 2HG ARG 5 3.418 -1.340 -4.840 50 HG3 ARG 5 3HG ARG 5 3.580 -3.028 -5.259 51 HD2 ARG 5 2HD ARG 5 1.697 -2.915 -6.807 52 HD3 ARG 5 3HD ARG 5 1.204 -1.337 -6.162 53 HE ARG 5 HE ARG 5 3.839 -1.188 -7.253 54 HH11 ARG 5 2HH2 ARG 5 0.440 -1.370 -8.199 55 HH12 ARG 5 1HH2 ARG 5 0.606 -0.407 -9.623 56 HH21 ARG 5 1HH1 ARG 5 4.095 0.119 -9.180 57 HH22 ARG 5 2HH1 ARG 5 2.740 0.438 -10.195 58 H ILE 6 H ILE 6 0.446 -0.102 -3.216 59 HA ILE 6 HA ILE 6 -0.993 -0.460 -0.721 60 HB ILE 6 HB ILE 6 -1.289 1.864 -2.585 61 HG12 ILE 6 2HG1 ILE 6 0.831 1.459 -0.447 62 HG13 ILE 6 3HG1 ILE 6 1.113 1.696 -2.173 63 HG21 ILE 6 1HG2 ILE 6 -1.282 2.139 0.376 64 HG22 ILE 6 2HG2 ILE 6 -2.433 2.785 -0.809 65 HG23 ILE 6 3HG2 ILE 6 -2.572 1.118 -0.200 66 HD11 ILE 6 3HD1 ILE 6 0.039 3.968 -2.002 67 HD12 ILE 6 1HD1 ILE 6 0.065 3.781 -0.232 68 HD13 ILE 6 2HD1 ILE 6 1.581 3.783 -1.142 69 H GLN 7 H GLN 7 -3.303 0.819 -1.916 70 HA GLN 7 HA GLN 7 -4.375 -1.180 -3.796 71 HB2 GLN 7 2HB GLN 7 -4.891 -0.995 -0.876 72 HB3 GLN 7 3HB GLN 7 -6.374 -0.854 -1.800 73 HG2 GLN 7 2HG GLN 7 -4.383 -3.055 -2.452 74 HG3 GLN 7 3HG GLN 7 -5.511 -3.219 -1.099 75 HE21 GLN 7 2HE2 GLN 7 -6.775 -4.919 -2.087 76 HE22 GLN 7 1HE2 GLN 7 -7.804 -4.550 -3.458 77 H ARG 8 H ARG 8 -6.911 -0.287 -3.931 78 HA ARG 8 HA ARG 8 -6.916 2.039 -5.399 79 HB2 ARG 8 2HB ARG 8 -8.791 0.383 -5.022 80 HB3 ARG 8 3HB ARG 8 -9.159 1.185 -3.509 81 HG2 ARG 8 2HG ARG 8 -8.993 3.193 -5.623 82 HG3 ARG 8 3HG ARG 8 -10.031 1.878 -6.156 83 HD2 ARG 8 2HD ARG 8 -11.377 3.569 -5.025 84 HD3 ARG 8 3HD ARG 8 -11.394 2.060 -4.120 85 HE ARG 8 HE ARG 8 -10.295 3.056 -2.359 86 HH11 ARG 8 2HH2 ARG 8 -9.945 5.162 -5.168 87 HH12 ARG 8 1HH2 ARG 8 -9.544 6.579 -4.273 88 HH21 ARG 8 1HH1 ARG 8 -9.915 4.995 -1.115 89 HH22 ARG 8 2HH1 ARG 8 -9.472 6.457 -1.919 90 H GLY 9 H GLY 9 -7.129 1.798 -1.930 91 HA2 GLY 9 2HA GLY 9 -6.496 4.687 -1.661 92 HA3 GLY 9 3HA GLY 9 -7.870 4.040 -0.736 93 HA PRO 10 HA PRO 10 -4.025 3.464 1.783 94 HB2 PRO 10 2HB PRO 10 -4.997 4.310 4.170 95 HB3 PRO 10 3HB PRO 10 -4.545 5.436 2.850 96 HG2 PRO 10 2HG PRO 10 -7.308 4.402 3.560 97 HG3 PRO 10 3HG PRO 10 -6.805 6.103 3.284 98 HD2 PRO 10 2HD PRO 10 -7.937 4.566 1.333 99 HD3 PRO 10 3HD PRO 10 -6.678 5.783 0.953 100 H GLY 11 H GLY 11 -6.219 1.500 1.169 101 HA2 GLY 11 2HA GLY 11 -6.823 -0.113 3.440 102 HA3 GLY 11 3HA GLY 11 -6.867 -0.614 1.743 103 H ARG 12 H ARG 12 -3.816 0.393 1.810 104 HA ARG 12 HA ARG 12 -2.464 -1.672 3.370 105 HB2 ARG 12 2HB ARG 12 -2.500 -1.419 0.373 106 HB3 ARG 12 3HB ARG 12 -0.888 -1.484 1.079 107 HG2 ARG 12 2HG ARG 12 -1.814 -3.674 0.328 108 HG3 ARG 12 3HG ARG 12 -1.265 -3.639 2.024 109 HD2 ARG 12 2HD ARG 12 -3.429 -3.571 2.870 110 HD3 ARG 12 3HD ARG 12 -4.139 -3.090 1.294 111 HE ARG 12 HE ARG 12 -3.041 -5.640 0.974 112 HH11 ARG 12 2HH2 ARG 12 -5.486 -3.999 2.929 113 HH12 ARG 12 1HH2 ARG 12 -6.596 -5.322 2.990 114 HH21 ARG 12 1HH1 ARG 12 -4.525 -7.475 1.029 115 HH22 ARG 12 2HH1 ARG 12 -6.023 -7.358 1.877 116 H ALA 13 H ALA 13 -0.084 -0.998 3.476 117 HA ALA 13 HA ALA 13 0.915 1.516 2.752 118 HB1 ALA 13 1HB ALA 13 0.948 2.537 5.082 119 HB2 ALA 13 2HB ALA 13 -0.655 2.555 4.328 120 HB3 ALA 13 3HB ALA 13 -0.270 1.340 5.571 121 H PHE 14 H PHE 14 3.237 1.270 3.140 122 HA PHE 14 HA PHE 14 4.302 -0.401 5.197 123 HB2 PHE 14 2HB PHE 14 3.353 -1.607 2.705 124 HB3 PHE 14 3HB PHE 14 5.054 -1.865 2.914 125 HD1 PHE 14 1HD PHE 14 5.844 -2.555 5.349 126 HD2 PHE 14 2HD PHE 14 1.926 -3.233 3.718 127 HE1 PHE 14 1HE PHE 14 5.495 -4.425 6.967 128 HE2 PHE 14 2HE PHE 14 1.573 -5.105 5.322 129 HZ PHE 14 HZ PHE 14 3.361 -5.701 6.944 130 H VAL 15 H VAL 15 4.698 2.083 4.524 131 HA VAL 15 HA VAL 15 7.397 2.223 3.488 132 HB VAL 15 HB VAL 15 5.992 2.437 1.467 133 HG11 VAL 15 1HG1 VAL 15 4.844 4.943 2.759 134 HG12 VAL 15 2HG1 VAL 15 4.502 4.336 1.126 135 HG13 VAL 15 3HG1 VAL 15 3.968 3.418 2.546 136 HG21 VAL 15 3HG2 VAL 15 7.279 5.091 2.190 137 HG22 VAL 15 1HG2 VAL 15 8.165 3.648 1.684 138 HG23 VAL 15 2HG2 VAL 15 7.021 4.422 0.561 Start of MODEL 13 1 H1 ARG 1 H1 ARG 1 14.823 1.255 0.050 2 H2 ARG 1 H2 ARG 1 14.472 2.837 -0.221 3 H3 ARG 1 H3 ARG 1 13.337 1.854 0.449 4 HA ARG 1 HA ARG 1 12.889 2.360 -1.844 5 HB2 ARG 1 2HB ARG 1 14.256 1.845 -3.596 6 HB3 ARG 1 3HB ARG 1 15.436 2.325 -2.382 7 HG2 ARG 1 2HG ARG 1 15.504 -0.283 -1.848 8 HG3 ARG 1 3HG ARG 1 14.745 -0.435 -3.434 9 HD2 ARG 1 2HD ARG 1 16.776 -0.356 -4.360 10 HD3 ARG 1 3HD ARG 1 16.942 1.320 -3.847 11 HE ARG 1 HE ARG 1 18.138 -1.077 -2.706 12 HH11 ARG 1 2HH2 ARG 1 17.585 2.361 -2.204 13 HH12 ARG 1 1HH2 ARG 1 18.462 2.462 -0.719 14 HH21 ARG 1 1HH1 ARG 1 19.388 -0.965 -0.745 15 HH22 ARG 1 2HH1 ARG 1 19.545 0.525 0.101 16 H LYS 2 H LYS 2 13.815 -0.639 -0.036 17 HA LYS 2 HA LYS 2 11.985 -2.270 -1.561 18 HB2 LYS 2 2HB LYS 2 13.079 -2.468 1.293 19 HB3 LYS 2 3HB LYS 2 12.063 -3.690 0.513 20 HG2 LYS 2 2HG LYS 2 13.771 -3.995 -1.263 21 HG3 LYS 2 3HG LYS 2 14.819 -2.806 -0.464 22 HD2 LYS 2 2HD LYS 2 14.933 -4.220 1.550 23 HD3 LYS 2 3HD LYS 2 13.817 -5.390 0.811 24 HE2 LYS 2 2HE LYS 2 15.442 -5.770 -1.031 25 HE3 LYS 2 3HE LYS 2 16.565 -4.628 -0.277 26 HZ1 LYS 2 3HZ LYS 2 16.674 -6.097 1.635 27 HZ2 LYS 2 1HZ LYS 2 15.623 -7.153 0.936 28 HZ3 LYS 2 2HZ LYS 2 17.103 -6.907 0.270 29 H SER 3 H SER 3 9.793 -2.466 -1.247 30 HA SER 3 HA SER 3 8.373 -1.608 1.083 31 HB2 SER 3 2HB SER 3 6.975 0.081 -0.139 32 HB3 SER 3 3HB SER 3 8.631 0.616 0.169 33 HG SER 3 HG SER 3 7.510 -0.285 -2.275 34 H ILE 4 H ILE 4 5.888 -1.653 0.180 35 HA ILE 4 HA ILE 4 5.672 -4.010 -1.661 36 HB ILE 4 HB ILE 4 3.729 -3.459 0.563 37 HG12 ILE 4 2HG1 ILE 4 6.296 -5.107 0.631 38 HG13 ILE 4 3HG1 ILE 4 5.896 -3.719 1.649 39 HG21 ILE 4 1HG2 ILE 4 3.610 -5.210 -1.616 40 HG22 ILE 4 2HG2 ILE 4 4.370 -6.219 -0.416 41 HG23 ILE 4 3HG2 ILE 4 2.797 -5.480 -0.056 42 HD11 ILE 4 3HD1 ILE 4 3.865 -5.093 2.426 43 HD12 ILE 4 1HD1 ILE 4 4.750 -6.489 1.769 44 HD13 ILE 4 2HD1 ILE 4 5.481 -5.501 3.053 45 H ARG 5 H ARG 5 2.625 -3.488 -1.437 46 HA ARG 5 HA ARG 5 2.499 -1.161 -3.223 47 HB2 ARG 5 2HB ARG 5 1.439 -3.987 -3.566 48 HB3 ARG 5 3HB ARG 5 0.582 -2.606 -4.220 49 HG2 ARG 5 2HG ARG 5 3.179 -2.067 -5.012 50 HG3 ARG 5 3HG ARG 5 3.123 -3.809 -5.089 51 HD2 ARG 5 2HD ARG 5 0.693 -3.141 -6.292 52 HD3 ARG 5 3HD ARG 5 1.672 -1.749 -6.719 53 HE ARG 5 HE ARG 5 2.832 -3.029 -8.214 54 HH11 ARG 5 2HH2 ARG 5 1.106 -5.164 -6.004 55 HH12 ARG 5 1HH2 ARG 5 1.281 -6.592 -6.961 56 HH21 ARG 5 1HH1 ARG 5 3.077 -4.934 -9.549 57 HH22 ARG 5 2HH1 ARG 5 2.446 -6.449 -9.023 58 H ILE 6 H ILE 6 0.257 -0.365 -3.339 59 HA ILE 6 HA ILE 6 -1.063 -0.442 -0.736 60 HB ILE 6 HB ILE 6 -1.327 1.740 -2.771 61 HG12 ILE 6 2HG1 ILE 6 0.844 1.335 -0.684 62 HG13 ILE 6 3HG1 ILE 6 1.091 1.473 -2.424 63 HG21 ILE 6 1HG2 ILE 6 -2.607 1.273 -0.346 64 HG22 ILE 6 2HG2 ILE 6 -1.190 2.130 0.196 65 HG23 ILE 6 3HG2 ILE 6 -2.267 2.899 -0.987 66 HD11 ILE 6 3HD1 ILE 6 0.296 3.796 -2.427 67 HD12 ILE 6 1HD1 ILE 6 0.103 3.747 -0.660 68 HD13 ILE 6 2HD1 ILE 6 1.708 3.566 -1.377 69 H GLN 7 H GLN 7 -3.349 0.855 -2.000 70 HA GLN 7 HA GLN 7 -4.602 -1.234 -3.636 71 HB2 GLN 7 2HB GLN 7 -4.956 -0.863 -0.721 72 HB3 GLN 7 3HB GLN 7 -6.480 -0.650 -1.560 73 HG2 GLN 7 2HG GLN 7 -4.675 -3.030 -2.139 74 HG3 GLN 7 3HG GLN 7 -5.819 -3.027 -0.789 75 HE21 GLN 7 2HE2 GLN 7 -7.045 -4.807 -1.824 76 HE22 GLN 7 1HE2 GLN 7 -8.104 -4.398 -3.162 77 H ARG 8 H ARG 8 -7.105 -0.211 -3.719 78 HA ARG 8 HA ARG 8 -7.061 2.034 -5.317 79 HB2 ARG 8 2HB ARG 8 -8.957 0.478 -4.836 80 HB3 ARG 8 3HB ARG 8 -9.261 1.297 -3.322 81 HG2 ARG 8 2HG ARG 8 -9.254 2.793 -5.981 82 HG3 ARG 8 3HG ARG 8 -10.671 1.905 -5.433 83 HD2 ARG 8 2HD ARG 8 -9.390 4.265 -3.993 84 HD3 ARG 8 3HD ARG 8 -10.892 4.272 -4.872 85 HE ARG 8 HE ARG 8 -10.367 3.196 -2.201 86 HH11 ARG 8 2HH2 ARG 8 -12.608 3.197 -4.937 87 HH12 ARG 8 1HH2 ARG 8 -13.998 2.748 -4.020 88 HH21 ARG 8 1HH1 ARG 8 -12.238 2.616 -0.930 89 HH22 ARG 8 2HH1 ARG 8 -13.769 2.397 -1.689 90 H GLY 9 H GLY 9 -7.238 1.960 -1.827 91 HA2 GLY 9 2HA GLY 9 -6.330 4.781 -1.712 92 HA3 GLY 9 3HA GLY 9 -7.738 4.320 -0.732 93 HA PRO 10 HA PRO 10 -3.907 3.494 1.736 94 HB2 PRO 10 2HB PRO 10 -4.799 4.349 4.150 95 HB3 PRO 10 3HB PRO 10 -4.342 5.471 2.831 96 HG2 PRO 10 2HG PRO 10 -7.122 4.497 3.566 97 HG3 PRO 10 3HG PRO 10 -6.578 6.194 3.338 98 HD2 PRO 10 2HD PRO 10 -7.770 4.786 1.343 99 HD3 PRO 10 3HD PRO 10 -6.432 5.925 0.992 100 H GLY 11 H GLY 11 -6.164 1.594 1.158 101 HA2 GLY 11 2HA GLY 11 -6.792 -0.018 3.414 102 HA3 GLY 11 3HA GLY 11 -6.800 -0.539 1.721 103 H ARG 12 H ARG 12 -3.768 0.392 1.721 104 HA ARG 12 HA ARG 12 -2.440 -1.602 3.395 105 HB2 ARG 12 2HB ARG 12 -2.514 -1.527 0.396 106 HB3 ARG 12 3HB ARG 12 -0.887 -1.495 1.061 107 HG2 ARG 12 2HG ARG 12 -1.724 -3.776 0.500 108 HG3 ARG 12 3HG ARG 12 -1.198 -3.581 2.193 109 HD2 ARG 12 2HD ARG 12 -3.419 -3.341 2.948 110 HD3 ARG 12 3HD ARG 12 -4.094 -3.354 1.290 111 HE ARG 12 HE ARG 12 -2.802 -5.783 1.626 112 HH11 ARG 12 2HH2 ARG 12 -5.269 -3.922 3.367 113 HH12 ARG 12 1HH2 ARG 12 -6.089 -5.289 4.027 114 HH21 ARG 12 1HH1 ARG 12 -3.862 -7.669 2.576 115 HH22 ARG 12 2HH1 ARG 12 -5.252 -7.469 3.579 116 H ALA 13 H ALA 13 -0.125 -1.001 3.577 117 HA ALA 13 HA ALA 13 0.964 1.437 2.658 118 HB1 ALA 13 1HB ALA 13 1.126 2.562 4.905 119 HB2 ALA 13 2HB ALA 13 -0.540 2.525 4.299 120 HB3 ALA 13 3HB ALA 13 -0.026 1.378 5.558 121 H PHE 14 H PHE 14 3.291 1.108 2.946 122 HA PHE 14 HA PHE 14 4.397 -0.472 5.034 123 HB2 PHE 14 2HB PHE 14 3.421 -1.781 2.587 124 HB3 PHE 14 3HB PHE 14 5.116 -2.056 2.859 125 HD1 PHE 14 2HD PHE 14 5.819 -2.618 5.355 126 HD2 PHE 14 1HD PHE 14 1.957 -3.364 3.624 127 HE1 PHE 14 2HE PHE 14 5.415 -4.414 7.039 128 HE2 PHE 14 1HE PHE 14 1.552 -5.170 5.291 129 HZ PHE 14 HZ PHE 14 3.284 -5.694 6.997 130 H VAL 15 H VAL 15 4.761 1.955 4.299 131 HA VAL 15 HA VAL 15 7.445 2.116 3.310 132 HB VAL 15 HB VAL 15 6.111 2.132 1.211 133 HG11 VAL 15 1HG1 VAL 15 4.050 3.193 2.126 134 HG12 VAL 15 2HG1 VAL 15 4.918 4.737 2.231 135 HG13 VAL 15 3HG1 VAL 15 4.638 3.979 0.648 136 HG21 VAL 15 3HG2 VAL 15 7.146 4.094 0.208 137 HG22 VAL 15 1HG2 VAL 15 7.446 4.789 1.820 138 HG23 VAL 15 2HG2 VAL 15 8.265 3.291 1.332 Start of MODEL 14 1 H1 ARG 1 H1 ARG 1 17.059 -1.426 0.082 2 H2 ARG 1 H2 ARG 1 17.443 -0.701 1.522 3 H3 ARG 1 H3 ARG 1 16.493 -2.053 1.487 4 HA ARG 1 HA ARG 1 15.093 -0.187 1.867 5 HB2 ARG 1 2HB ARG 1 16.728 1.411 0.781 6 HB3 ARG 1 3HB ARG 1 16.152 0.861 -0.800 7 HG2 ARG 1 2HG ARG 1 13.863 1.658 -0.246 8 HG3 ARG 1 3HG ARG 1 14.417 2.084 1.388 9 HD2 ARG 1 2HD ARG 1 16.227 3.508 0.075 10 HD3 ARG 1 3HD ARG 1 15.047 3.430 -1.247 11 HE ARG 1 HE ARG 1 13.521 4.208 0.875 12 HH11 ARG 1 2HH2 ARG 1 16.472 5.495 -0.578 13 HH12 ARG 1 1HH2 ARG 1 16.324 7.068 0.117 14 HH21 ARG 1 1HH1 ARG 1 13.300 6.316 1.834 15 HH22 ARG 1 2HH1 ARG 1 14.456 7.545 1.494 16 H LYS 2 H LYS 2 12.935 -0.758 1.278 17 HA LYS 2 HA LYS 2 12.333 -1.710 -1.357 18 HB2 LYS 2 2HB LYS 2 13.059 -3.650 0.725 19 HB3 LYS 2 3HB LYS 2 11.374 -3.847 0.322 20 HG2 LYS 2 2HG LYS 2 13.596 -3.791 -1.770 21 HG3 LYS 2 3HG LYS 2 13.027 -5.266 -0.970 22 HD2 LYS 2 2HD LYS 2 10.695 -4.726 -1.747 23 HD3 LYS 2 3HD LYS 2 11.373 -3.374 -2.669 24 HE2 LYS 2 2HE LYS 2 11.533 -4.885 -4.360 25 HE3 LYS 2 3HE LYS 2 13.025 -5.347 -3.533 26 HZ1 LYS 2 3HZ LYS 2 10.386 -6.640 -3.230 27 HZ2 LYS 2 1HZ LYS 2 11.685 -7.263 -4.019 28 HZ3 LYS 2 2HZ LYS 2 11.732 -7.070 -2.386 29 H SER 3 H SER 3 9.881 -2.333 -1.324 30 HA SER 3 HA SER 3 8.326 -1.533 0.969 31 HB2 SER 3 2HB SER 3 7.901 -0.019 -1.636 32 HB3 SER 3 3HB SER 3 7.086 0.226 -0.079 33 HG SER 3 HG SER 3 9.329 0.687 0.702 34 H ILE 4 H ILE 4 5.892 -1.591 -0.031 35 HA ILE 4 HA ILE 4 5.709 -3.924 -1.897 36 HB ILE 4 HB ILE 4 3.730 -3.491 0.318 37 HG12 ILE 4 2HG1 ILE 4 6.358 -5.037 0.439 38 HG13 ILE 4 3HG1 ILE 4 5.873 -3.690 1.472 39 HG21 ILE 4 1HG2 ILE 4 4.628 -6.140 -0.855 40 HG22 ILE 4 2HG2 ILE 4 3.037 -5.677 -0.216 41 HG23 ILE 4 3HG2 ILE 4 3.559 -5.158 -1.830 42 HD11 ILE 4 3HD1 ILE 4 5.491 -5.584 2.787 43 HD12 ILE 4 1HD1 ILE 4 3.883 -5.117 2.183 44 HD13 ILE 4 2HD1 ILE 4 4.750 -6.481 1.442 45 H ARG 5 H ARG 5 2.644 -3.451 -1.625 46 HA ARG 5 HA ARG 5 2.477 -1.086 -3.354 47 HB2 ARG 5 2HB ARG 5 1.450 -3.910 -3.759 48 HB3 ARG 5 3HB ARG 5 0.559 -2.529 -4.358 49 HG2 ARG 5 2HG ARG 5 3.136 -1.929 -5.179 50 HG3 ARG 5 3HG ARG 5 3.087 -3.671 -5.316 51 HD2 ARG 5 2HD ARG 5 0.684 -3.140 -6.448 52 HD3 ARG 5 3HD ARG 5 1.432 -1.581 -6.771 53 HE ARG 5 HE ARG 5 1.912 -4.157 -8.006 54 HH11 ARG 5 2HH2 ARG 5 3.408 -1.005 -7.459 55 HH12 ARG 5 1HH2 ARG 5 4.366 -1.034 -8.896 56 HH21 ARG 5 1HH1 ARG 5 3.171 -4.224 -9.929 57 HH22 ARG 5 2HH1 ARG 5 4.234 -2.928 -10.325 58 H ILE 6 H ILE 6 0.189 -0.344 -3.430 59 HA ILE 6 HA ILE 6 -1.086 -0.496 -0.817 60 HB ILE 6 HB ILE 6 -1.448 1.753 -2.750 61 HG12 ILE 6 2HG1 ILE 6 0.822 1.332 -0.771 62 HG13 ILE 6 3HG1 ILE 6 0.986 1.533 -2.516 63 HG21 ILE 6 1HG2 ILE 6 -1.184 1.900 0.243 64 HG22 ILE 6 2HG2 ILE 6 -2.220 2.865 -0.823 65 HG23 ILE 6 3HG2 ILE 6 -2.674 1.209 -0.362 66 HD11 ILE 6 3HD1 ILE 6 1.583 3.619 -1.475 67 HD12 ILE 6 1HD1 ILE 6 0.046 3.843 -2.337 68 HD13 ILE 6 2HD1 ILE 6 0.069 3.681 -0.563 69 H GLN 7 H GLN 7 -3.397 0.810 -2.029 70 HA GLN 7 HA GLN 7 -4.636 -1.251 -3.715 71 HB2 GLN 7 2HB GLN 7 -4.963 -0.958 -0.784 72 HB3 GLN 7 3HB GLN 7 -6.499 -0.753 -1.605 73 HG2 GLN 7 2HG GLN 7 -4.687 -3.081 -2.322 74 HG3 GLN 7 3HG GLN 7 -5.732 -3.141 -0.895 75 HE21 GLN 7 2HE2 GLN 7 -7.343 -4.627 -1.588 76 HE22 GLN 7 1HE2 GLN 7 -8.350 -4.288 -2.983 77 H ARG 8 H ARG 8 -7.148 -0.285 -3.757 78 HA ARG 8 HA ARG 8 -7.198 2.012 -5.261 79 HB2 ARG 8 2HB ARG 8 -9.082 0.411 -4.716 80 HB3 ARG 8 3HB ARG 8 -9.328 1.261 -3.204 81 HG2 ARG 8 2HG ARG 8 -9.253 3.190 -5.406 82 HG3 ARG 8 3HG ARG 8 -10.383 1.897 -5.785 83 HD2 ARG 8 2HD ARG 8 -11.579 3.667 -4.631 84 HD3 ARG 8 3HD ARG 8 -11.541 2.220 -3.632 85 HE ARG 8 HE ARG 8 -10.261 3.296 -2.049 86 HH11 ARG 8 2HH2 ARG 8 -10.136 5.199 -5.021 87 HH12 ARG 8 1HH2 ARG 8 -9.613 6.659 -4.272 88 HH21 ARG 8 1HH1 ARG 8 -9.713 5.313 -0.987 89 HH22 ARG 8 2HH1 ARG 8 -9.304 6.696 -1.937 90 H GLY 9 H GLY 9 -7.186 1.844 -1.775 91 HA2 GLY 9 2HA GLY 9 -6.427 4.703 -1.608 92 HA3 GLY 9 3HA GLY 9 -7.807 4.159 -0.627 93 HA PRO 10 HA PRO 10 -3.927 3.505 1.813 94 HB2 PRO 10 2HB PRO 10 -4.802 4.428 4.204 95 HB3 PRO 10 3HB PRO 10 -4.397 5.521 2.841 96 HG2 PRO 10 2HG PRO 10 -7.138 4.496 3.653 97 HG3 PRO 10 3HG PRO 10 -6.644 6.199 3.365 98 HD2 PRO 10 2HD PRO 10 -7.828 4.684 1.438 99 HD3 PRO 10 3HD PRO 10 -6.544 5.866 1.027 100 H GLY 11 H GLY 11 -6.219 1.594 1.323 101 HA2 GLY 11 2HA GLY 11 -6.760 -0.024 3.594 102 HA3 GLY 11 3HA GLY 11 -6.765 -0.543 1.898 103 H ARG 12 H ARG 12 -3.834 0.418 1.667 104 HA ARG 12 HA ARG 12 -2.435 -1.542 3.359 105 HB2 ARG 12 2HB ARG 12 -2.546 -1.526 0.368 106 HB3 ARG 12 3HB ARG 12 -0.909 -1.431 1.014 107 HG2 ARG 12 2HG ARG 12 -1.348 -3.730 0.746 108 HG3 ARG 12 3HG ARG 12 -1.415 -3.395 2.483 109 HD2 ARG 12 2HD ARG 12 -4.008 -3.125 2.022 110 HD3 ARG 12 3HD ARG 12 -3.681 -4.043 0.568 111 HE ARG 12 HE ARG 12 -3.713 -4.915 3.337 112 HH11 ARG 12 2HH2 ARG 12 -2.480 -5.707 0.132 113 HH12 ARG 12 1HH2 ARG 12 -2.213 -7.384 0.454 114 HH21 ARG 12 1HH1 ARG 12 -3.328 -7.157 3.830 115 HH22 ARG 12 2HH1 ARG 12 -2.705 -8.222 2.627 116 H ALA 13 H ALA 13 -0.052 -0.945 3.411 117 HA ALA 13 HA ALA 13 0.968 1.548 2.580 118 HB1 ALA 13 1HB ALA 13 -0.479 2.564 4.302 119 HB2 ALA 13 2HB ALA 13 0.038 1.348 5.493 120 HB3 ALA 13 3HB ALA 13 1.194 2.554 4.890 121 H PHE 14 H PHE 14 3.310 1.237 2.788 122 HA PHE 14 HA PHE 14 4.488 -0.445 4.759 123 HB2 PHE 14 2HB PHE 14 3.335 -1.667 2.371 124 HB3 PHE 14 3HB PHE 14 5.044 -1.943 2.437 125 HD1 PHE 14 2HD PHE 14 6.003 -2.575 4.855 126 HD2 PHE 14 1HD PHE 14 1.994 -3.289 3.485 127 HE1 PHE 14 2HE PHE 14 5.763 -4.417 6.525 128 HE2 PHE 14 1HE PHE 14 1.749 -5.137 5.138 129 HZ PHE 14 HZ PHE 14 3.639 -5.701 6.655 130 H VAL 15 H VAL 15 4.881 2.005 4.068 131 HA VAL 15 HA VAL 15 7.503 2.108 2.850 132 HB VAL 15 HB VAL 15 5.928 2.369 0.942 133 HG11 VAL 15 1HG1 VAL 15 4.513 4.335 0.724 134 HG12 VAL 15 2HG1 VAL 15 4.055 3.433 2.182 135 HG13 VAL 15 3HG1 VAL 15 5.012 4.919 2.326 136 HG21 VAL 15 3HG2 VAL 15 8.105 3.380 0.782 137 HG22 VAL 15 1HG2 VAL 15 6.910 4.459 0.035 138 HG23 VAL 15 2HG2 VAL 15 7.557 4.831 1.650 Start of MODEL 15 1 H1 ARG 1 H1 ARG 1 14.793 0.062 -4.686 2 H2 ARG 1 H2 ARG 1 13.968 -0.042 -6.111 3 H3 ARG 1 H3 ARG 1 13.219 0.526 -4.756 4 HA ARG 1 HA ARG 1 12.499 -1.706 -5.160 5 HB2 ARG 1 2HB ARG 1 14.277 -2.587 -6.436 6 HB3 ARG 1 3HB ARG 1 15.491 -2.192 -5.217 7 HG2 ARG 1 2HG ARG 1 14.827 -3.965 -3.787 8 HG3 ARG 1 3HG ARG 1 13.304 -4.230 -4.650 9 HD2 ARG 1 2HD ARG 1 15.925 -4.512 -6.131 10 HD3 ARG 1 3HD ARG 1 15.438 -5.790 -5.006 11 HE ARG 1 HE ARG 1 13.184 -5.521 -6.428 12 HH11 ARG 1 2HH2 ARG 1 16.538 -5.974 -7.455 13 HH12 ARG 1 1HH2 ARG 1 16.145 -6.909 -8.852 14 HH21 ARG 1 1HH1 ARG 1 12.637 -6.790 -8.278 15 HH22 ARG 1 2HH1 ARG 1 13.873 -7.382 -9.318 16 H LYS 2 H LYS 2 11.382 -1.252 -3.231 17 HA LYS 2 HA LYS 2 12.058 -2.717 -1.036 18 HB2 LYS 2 2HB LYS 2 13.464 -0.183 -0.931 19 HB3 LYS 2 3HB LYS 2 12.171 -0.109 0.254 20 HG2 LYS 2 2HG LYS 2 12.918 -2.087 1.372 21 HG3 LYS 2 3HG LYS 2 13.978 -2.551 0.029 22 HD2 LYS 2 2HD LYS 2 15.456 -0.670 0.451 23 HD3 LYS 2 3HD LYS 2 14.397 -0.087 1.763 24 HE2 LYS 2 2HE LYS 2 14.753 -2.170 3.016 25 HE3 LYS 2 3HE LYS 2 15.707 -2.845 1.686 26 HZ1 LYS 2 3HZ LYS 2 16.461 -0.467 3.265 27 HZ2 LYS 2 1HZ LYS 2 17.089 -1.973 3.457 28 HZ3 LYS 2 2HZ LYS 2 17.355 -1.149 2.060 29 H SER 3 H SER 3 10.529 -1.826 0.922 30 HA SER 3 HA SER 3 8.383 -1.541 1.579 31 HB2 SER 3 2HB SER 3 7.971 0.240 -0.837 32 HB3 SER 3 3HB SER 3 7.139 0.282 0.726 33 HG SER 3 HG SER 3 8.733 1.856 0.704 34 H ILE 4 H ILE 4 5.976 -1.523 0.495 35 HA ILE 4 HA ILE 4 5.878 -3.844 -1.392 36 HB ILE 4 HB ILE 4 3.789 -3.401 0.719 37 HG12 ILE 4 2HG1 ILE 4 6.387 -4.979 0.957 38 HG13 ILE 4 3HG1 ILE 4 5.875 -3.627 1.966 39 HG21 ILE 4 1HG2 ILE 4 3.740 -5.072 -1.454 40 HG22 ILE 4 2HG2 ILE 4 4.696 -6.068 -0.387 41 HG23 ILE 4 3HG2 ILE 4 3.074 -5.551 0.120 42 HD11 ILE 4 3HD1 ILE 4 5.393 -5.525 3.267 43 HD12 ILE 4 1HD1 ILE 4 3.823 -5.049 2.577 44 HD13 ILE 4 2HD1 ILE 4 4.723 -6.415 1.883 45 H ARG 5 H ARG 5 2.805 -3.382 -1.300 46 HA ARG 5 HA ARG 5 2.690 -0.976 -2.964 47 HB2 ARG 5 2HB ARG 5 1.882 -3.837 -3.570 48 HB3 ARG 5 3HB ARG 5 0.899 -2.513 -4.164 49 HG2 ARG 5 2HG ARG 5 3.480 -1.649 -4.744 50 HG3 ARG 5 3HG ARG 5 3.575 -3.372 -5.030 51 HD2 ARG 5 2HD ARG 5 1.576 -3.253 -6.522 52 HD3 ARG 5 3HD ARG 5 1.419 -1.520 -6.166 53 HE ARG 5 HE ARG 5 4.003 -2.040 -7.232 54 HH11 ARG 5 2HH2 ARG 5 0.607 -1.879 -8.199 55 HH12 ARG 5 1HH2 ARG 5 0.914 -1.407 -9.831 56 HH21 ARG 5 1HH1 ARG 5 4.449 -1.411 -9.448 57 HH22 ARG 5 2HH1 ARG 5 3.151 -1.146 -10.550 58 H ILE 6 H ILE 6 0.446 -0.252 -3.187 59 HA ILE 6 HA ILE 6 -1.026 -0.488 -0.690 60 HB ILE 6 HB ILE 6 -1.208 1.780 -2.643 61 HG12 ILE 6 2HG1 ILE 6 0.841 1.368 -0.442 62 HG13 ILE 6 3HG1 ILE 6 1.160 1.572 -2.164 63 HG21 ILE 6 1HG2 ILE 6 -2.451 2.746 -0.980 64 HG22 ILE 6 2HG2 ILE 6 -2.559 1.126 -0.247 65 HG23 ILE 6 3HG2 ILE 6 -1.316 2.229 0.279 66 HD11 ILE 6 3HD1 ILE 6 0.131 3.883 -2.031 67 HD12 ILE 6 1HD1 ILE 6 0.184 3.719 -0.258 68 HD13 ILE 6 2HD1 ILE 6 1.681 3.659 -1.193 69 H GLN 7 H GLN 7 -3.283 0.808 -1.960 70 HA GLN 7 HA GLN 7 -4.328 -1.167 -3.857 71 HB2 GLN 7 2HB GLN 7 -4.908 -1.060 -0.952 72 HB3 GLN 7 3HB GLN 7 -6.372 -0.851 -1.891 73 HG2 GLN 7 2HG GLN 7 -4.345 -3.076 -2.388 74 HG3 GLN 7 3HG GLN 7 -5.770 -3.255 -1.351 75 HE21 GLN 7 2HE2 GLN 7 -4.948 -4.442 -4.172 76 HE22 GLN 7 1HE2 GLN 7 -6.434 -4.174 -5.068 77 H ARG 8 H ARG 8 -6.927 -0.216 -3.909 78 HA ARG 8 HA ARG 8 -6.791 2.085 -5.457 79 HB2 ARG 8 2HB ARG 8 -8.696 0.514 -5.184 80 HB3 ARG 8 3HB ARG 8 -9.095 1.222 -3.639 81 HG2 ARG 8 2HG ARG 8 -8.965 2.897 -6.189 82 HG3 ARG 8 3HG ARG 8 -10.398 1.964 -5.772 83 HD2 ARG 8 2HD ARG 8 -9.222 4.252 -4.140 84 HD3 ARG 8 3HD ARG 8 -10.698 4.269 -5.062 85 HE ARG 8 HE ARG 8 -10.219 3.042 -2.442 86 HH11 ARG 8 2HH2 ARG 8 -12.384 3.170 -5.236 87 HH12 ARG 8 1HH2 ARG 8 -13.786 2.628 -4.388 88 HH21 ARG 8 1HH1 ARG 8 -12.104 2.341 -1.265 89 HH22 ARG 8 2HH1 ARG 8 -13.609 2.134 -2.079 90 H GLY 9 H GLY 9 -7.209 1.882 -1.992 91 HA2 GLY 9 2HA GLY 9 -6.444 4.751 -1.722 92 HA3 GLY 9 3HA GLY 9 -7.835 4.132 -0.807 93 HA PRO 10 HA PRO 10 -3.944 3.498 1.662 94 HB2 PRO 10 2HB PRO 10 -4.821 4.446 4.045 95 HB3 PRO 10 3HB PRO 10 -4.379 5.518 2.679 96 HG2 PRO 10 2HG PRO 10 -7.151 4.563 3.473 97 HG3 PRO 10 3HG PRO 10 -6.614 6.252 3.176 98 HD2 PRO 10 2HD PRO 10 -7.816 4.761 1.245 99 HD3 PRO 10 3HD PRO 10 -6.488 5.896 0.842 100 H GLY 11 H GLY 11 -6.204 1.584 1.166 101 HA2 GLY 11 2HA GLY 11 -6.808 0.037 3.483 102 HA3 GLY 11 3HA GLY 11 -6.845 -0.520 1.799 103 H ARG 12 H ARG 12 -3.822 0.403 1.669 104 HA ARG 12 HA ARG 12 -2.566 -1.630 3.372 105 HB2 ARG 12 2HB ARG 12 -2.548 -1.589 0.387 106 HB3 ARG 12 3HB ARG 12 -0.937 -1.503 1.095 107 HG2 ARG 12 2HG ARG 12 -1.365 -3.790 0.780 108 HG3 ARG 12 3HG ARG 12 -1.474 -3.464 2.519 109 HD2 ARG 12 2HD ARG 12 -4.075 -3.198 1.921 110 HD3 ARG 12 3HD ARG 12 -3.631 -4.211 0.548 111 HE ARG 12 HE ARG 12 -2.554 -5.341 2.915 112 HH11 ARG 12 2HH2 ARG 12 -5.710 -4.736 1.484 113 HH12 ARG 12 1HH2 ARG 12 -6.517 -6.044 2.277 114 HH21 ARG 12 1HH1 ARG 12 -3.610 -7.059 4.064 115 HH22 ARG 12 2HH1 ARG 12 -5.282 -7.384 3.800 116 H ALA 13 H ALA 13 -0.237 -1.086 3.640 117 HA ALA 13 HA ALA 13 0.941 1.369 2.896 118 HB1 ALA 13 1HB ALA 13 -0.655 2.433 4.457 119 HB2 ALA 13 2HB ALA 13 -0.269 1.229 5.709 120 HB3 ALA 13 3HB ALA 13 0.958 2.407 5.195 121 H PHE 14 H PHE 14 3.235 0.996 3.330 122 HA PHE 14 HA PHE 14 4.214 -0.610 5.440 123 HB2 PHE 14 2HB PHE 14 3.349 -1.899 2.939 124 HB3 PHE 14 3HB PHE 14 5.015 -2.213 3.335 125 HD1 PHE 14 1HD PHE 14 5.522 -2.769 5.876 126 HD2 PHE 14 2HD PHE 14 1.811 -3.505 3.836 127 HE1 PHE 14 1HE PHE 14 4.998 -4.592 7.495 128 HE2 PHE 14 2HE PHE 14 1.286 -5.338 5.443 129 HZ PHE 14 HZ PHE 14 2.883 -5.881 7.269 130 H VAL 15 H VAL 15 4.716 1.747 4.871 131 HA VAL 15 HA VAL 15 7.408 1.842 3.859 132 HB VAL 15 HB VAL 15 6.193 2.281 1.804 133 HG11 VAL 15 1HG1 VAL 15 4.041 3.031 2.681 134 HG12 VAL 15 2HG1 VAL 15 4.782 4.515 3.311 135 HG13 VAL 15 3HG1 VAL 15 4.692 4.239 1.559 136 HG21 VAL 15 3HG2 VAL 15 8.282 3.550 2.279 137 HG22 VAL 15 1HG2 VAL 15 7.174 4.405 1.176 138 HG23 VAL 15 2HG2 VAL 15 7.302 4.896 2.878 Start of MODEL 16 1 H1 ARG 1 H1 ARG 1 14.957 -4.390 0.130 2 H2 ARG 1 H2 ARG 1 14.966 -5.875 -0.614 3 H3 ARG 1 H3 ARG 1 15.335 -4.493 -1.450 4 HA ARG 1 HA ARG 1 13.150 -5.198 -2.026 5 HB2 ARG 1 2HB ARG 1 11.400 -5.381 -0.437 6 HB3 ARG 1 3HB ARG 1 12.748 -6.310 0.198 7 HG2 ARG 1 2HG ARG 1 13.138 -3.772 1.356 8 HG3 ARG 1 3HG ARG 1 11.387 -3.908 1.266 9 HD2 ARG 1 2HD ARG 1 11.556 -4.976 3.234 10 HD3 ARG 1 3HD ARG 1 12.041 -6.389 2.312 11 HE ARG 1 HE ARG 1 13.660 -4.579 3.957 12 HH11 ARG 1 2HH2 ARG 1 13.741 -7.404 1.842 13 HH12 ARG 1 1HH2 ARG 1 15.419 -7.731 2.090 14 HH21 ARG 1 1HH1 ARG 1 15.881 -5.049 4.361 15 HH22 ARG 1 2HH1 ARG 1 16.649 -6.379 3.592 16 H LYS 2 H LYS 2 11.154 -3.390 -1.877 17 HA LYS 2 HA LYS 2 12.292 -0.757 -1.235 18 HB2 LYS 2 2HB LYS 2 12.405 -1.806 -3.910 19 HB3 LYS 2 3HB LYS 2 11.140 -0.589 -3.906 20 HG2 LYS 2 2HG LYS 2 12.777 0.983 -2.752 21 HG3 LYS 2 3HG LYS 2 14.034 -0.234 -3.060 22 HD2 LYS 2 2HD LYS 2 13.359 -0.111 -5.541 23 HD3 LYS 2 3HD LYS 2 12.309 1.239 -5.095 24 HE2 LYS 2 2HE LYS 2 14.183 2.411 -5.733 25 HE3 LYS 2 3HE LYS 2 14.491 2.240 -4.001 26 HZ1 LYS 2 3HZ LYS 2 16.432 1.682 -5.271 27 HZ2 LYS 2 1HZ LYS 2 15.881 0.306 -4.557 28 HZ3 LYS 2 2HZ LYS 2 15.619 0.569 -6.163 29 H SER 3 H SER 3 10.629 -1.213 0.449 30 HA SER 3 HA SER 3 8.511 -1.163 1.318 31 HB2 SER 3 2HB SER 3 7.819 0.479 -1.135 32 HB3 SER 3 3HB SER 3 6.984 0.464 0.431 33 HG SER 3 HG SER 3 8.711 1.429 1.377 34 H ILE 4 H ILE 4 6.055 -1.271 0.206 35 HA ILE 4 HA ILE 4 5.987 -3.808 -1.370 36 HB ILE 4 HB ILE 4 3.966 -3.245 0.785 37 HG12 ILE 4 2HG1 ILE 4 6.683 -4.593 1.077 38 HG13 ILE 4 3HG1 ILE 4 6.078 -3.191 1.967 39 HG21 ILE 4 1HG2 ILE 4 3.766 -5.090 -1.124 40 HG22 ILE 4 2HG2 ILE 4 5.039 -5.909 -0.234 41 HG23 ILE 4 3HG2 ILE 4 3.481 -5.574 0.552 42 HD11 ILE 4 3HD1 ILE 4 4.207 -4.707 2.830 43 HD12 ILE 4 1HD1 ILE 4 5.153 -6.065 2.180 44 HD13 ILE 4 2HD1 ILE 4 5.845 -5.033 3.448 45 H ARG 5 H ARG 5 2.831 -3.348 -1.089 46 HA ARG 5 HA ARG 5 2.643 -1.113 -2.955 47 HB2 ARG 5 2HB ARG 5 1.772 -3.999 -3.352 48 HB3 ARG 5 3HB ARG 5 0.932 -2.652 -4.094 49 HG2 ARG 5 2HG ARG 5 3.551 -1.999 -4.647 50 HG3 ARG 5 3HG ARG 5 3.618 -3.740 -4.665 51 HD2 ARG 5 2HD ARG 5 3.000 -3.499 -6.860 52 HD3 ARG 5 3HD ARG 5 1.365 -3.352 -6.199 53 HE ARG 5 HE ARG 5 2.687 -0.810 -6.210 54 HH11 ARG 5 2HH2 ARG 5 1.192 -3.103 -8.442 55 HH12 ARG 5 1HH2 ARG 5 0.932 -1.953 -9.705 56 HH21 ARG 5 1HH1 ARG 5 2.356 0.755 -7.892 57 HH22 ARG 5 2HH1 ARG 5 1.604 0.294 -9.370 58 H ILE 6 H ILE 6 0.460 -0.396 -3.151 59 HA ILE 6 HA ILE 6 -1.018 -0.517 -0.641 60 HB ILE 6 HB ILE 6 -1.167 1.687 -2.673 61 HG12 ILE 6 2HG1 ILE 6 0.865 1.312 -0.450 62 HG13 ILE 6 3HG1 ILE 6 1.235 1.408 -2.164 63 HG21 ILE 6 1HG2 ILE 6 -1.205 2.148 0.270 64 HG22 ILE 6 2HG2 ILE 6 -2.298 2.776 -0.976 65 HG23 ILE 6 3HG2 ILE 6 -2.534 1.160 -0.272 66 HD11 ILE 6 3HD1 ILE 6 1.657 3.513 -0.755 67 HD12 ILE 6 1HD1 ILE 6 0.846 3.697 -2.322 68 HD13 ILE 6 2HD1 ILE 6 -0.090 3.776 -0.819 69 H GLN 7 H GLN 7 -3.240 0.791 -1.991 70 HA GLN 7 HA GLN 7 -4.392 -1.281 -3.733 71 HB2 GLN 7 2HB GLN 7 -4.927 -0.879 -0.838 72 HB3 GLN 7 3HB GLN 7 -6.389 -0.774 -1.785 73 HG2 GLN 7 2HG GLN 7 -4.397 -3.062 -2.135 74 HG3 GLN 7 3HG GLN 7 -5.678 -3.101 -0.917 75 HE21 GLN 7 2HE2 GLN 7 -5.136 -4.549 -3.739 76 HE22 GLN 7 1HE2 GLN 7 -6.753 -4.467 -4.408 77 H ARG 8 H ARG 8 -7.004 -0.150 -3.691 78 HA ARG 8 HA ARG 8 -6.723 2.033 -5.468 79 HB2 ARG 8 2HB ARG 8 -9.094 1.515 -3.613 80 HB3 ARG 8 3HB ARG 8 -9.071 2.581 -4.997 81 HG2 ARG 8 2HG ARG 8 -10.037 0.800 -6.013 82 HG3 ARG 8 3HG ARG 8 -8.353 0.400 -6.339 83 HD2 ARG 8 2HD ARG 8 -9.656 -1.570 -5.551 84 HD3 ARG 8 3HD ARG 8 -8.330 -1.179 -4.487 85 HE ARG 8 HE ARG 8 -9.779 -0.724 -2.785 86 HH11 ARG 8 2HH2 ARG 8 -11.579 -0.881 -5.824 87 HH12 ARG 8 1HH2 ARG 8 -13.144 -0.700 -5.119 88 HH21 ARG 8 1HH1 ARG 8 -11.904 -0.441 -1.796 89 HH22 ARG 8 2HH1 ARG 8 -13.321 -0.449 -2.776 90 H GLY 9 H GLY 9 -6.946 2.018 -1.980 91 HA2 GLY 9 2HA GLY 9 -5.912 4.747 -1.857 92 HA3 GLY 9 3HA GLY 9 -7.460 4.456 -1.029 93 HA PRO 10 HA PRO 10 -3.989 3.469 1.812 94 HB2 PRO 10 2HB PRO 10 -5.132 4.256 4.154 95 HB3 PRO 10 3HB PRO 10 -4.530 5.403 2.914 96 HG2 PRO 10 2HG PRO 10 -7.376 4.434 3.339 97 HG3 PRO 10 3HG PRO 10 -6.803 6.130 3.191 98 HD2 PRO 10 2HD PRO 10 -7.792 4.765 1.063 99 HD3 PRO 10 3HD PRO 10 -6.404 5.883 0.869 100 H GLY 11 H GLY 11 -6.300 1.518 1.090 101 HA2 GLY 11 2HA GLY 11 -6.887 -0.129 3.324 102 HA3 GLY 11 3HA GLY 11 -6.758 -0.688 1.648 103 H ARG 12 H ARG 12 -3.819 0.344 1.623 104 HA ARG 12 HA ARG 12 -2.569 -1.603 3.443 105 HB2 ARG 12 2HB ARG 12 -2.454 -1.630 0.465 106 HB3 ARG 12 3HB ARG 12 -0.866 -1.506 1.218 107 HG2 ARG 12 2HG ARG 12 -1.236 -3.799 0.952 108 HG3 ARG 12 3HG ARG 12 -1.470 -3.464 2.676 109 HD2 ARG 12 2HD ARG 12 -3.983 -3.303 2.131 110 HD3 ARG 12 3HD ARG 12 -3.607 -3.989 0.560 111 HE ARG 12 HE ARG 12 -3.717 -5.274 3.154 112 HH11 ARG 12 2HH2 ARG 12 -2.304 -5.541 -0.064 113 HH12 ARG 12 1HH2 ARG 12 -2.054 -7.251 -0.005 114 HH21 ARG 12 1HH1 ARG 12 -3.362 -7.566 3.293 115 HH22 ARG 12 2HH1 ARG 12 -2.666 -8.427 1.971 116 H ALA 13 H ALA 13 -0.285 -1.031 3.798 117 HA ALA 13 HA ALA 13 0.912 1.406 3.019 118 HB1 ALA 13 1HB ALA 13 0.883 2.498 5.287 119 HB2 ALA 13 2HB ALA 13 -0.722 2.492 4.529 120 HB3 ALA 13 3HB ALA 13 -0.341 1.323 5.814 121 H PHE 14 H PHE 14 3.198 1.036 3.502 122 HA PHE 14 HA PHE 14 4.125 -0.548 5.656 123 HB2 PHE 14 2HB PHE 14 3.367 -1.844 3.117 124 HB3 PHE 14 3HB PHE 14 5.011 -2.157 3.604 125 HD1 PHE 14 2HD PHE 14 5.398 -2.725 6.147 126 HD2 PHE 14 1HD PHE 14 1.765 -3.424 3.962 127 HE1 PHE 14 2HE PHE 14 4.797 -4.548 7.740 128 HE2 PHE 14 1HE PHE 14 1.160 -5.255 5.544 129 HZ PHE 14 HZ PHE 14 2.681 -5.815 7.429 130 H VAL 15 H VAL 15 4.623 1.804 5.116 131 HA VAL 15 HA VAL 15 7.340 1.936 4.192 132 HB VAL 15 HB VAL 15 6.169 2.324 2.088 133 HG11 VAL 15 1HG1 VAL 15 4.671 4.254 1.759 134 HG12 VAL 15 2HG1 VAL 15 3.999 3.104 2.931 135 HG13 VAL 15 3HG1 VAL 15 4.742 4.611 3.499 136 HG21 VAL 15 3HG2 VAL 15 8.251 3.582 2.569 137 HG22 VAL 15 1HG2 VAL 15 7.167 4.440 1.452 138 HG23 VAL 15 2HG2 VAL 15 7.278 4.942 3.155 Start of MODEL 17 1 H1 ARG 1 H1 ARG 1 12.031 -0.139 -5.283 2 H2 ARG 1 H2 ARG 1 13.216 0.978 -5.597 3 H3 ARG 1 H3 ARG 1 13.601 -0.564 -5.134 4 HA ARG 1 HA ARG 1 13.907 0.867 -3.267 5 HB2 ARG 1 2HB ARG 1 12.439 2.682 -3.833 6 HB3 ARG 1 3HB ARG 1 11.021 1.620 -3.904 7 HG2 ARG 1 2HG ARG 1 11.046 1.269 -1.522 8 HG3 ARG 1 3HG ARG 1 12.620 2.081 -1.354 9 HD2 ARG 1 2HD ARG 1 11.595 4.202 -2.098 10 HD3 ARG 1 3HD ARG 1 10.017 3.392 -2.245 11 HE ARG 1 HE ARG 1 10.786 2.835 0.326 12 HH11 ARG 1 2HH2 ARG 1 10.261 5.796 -1.528 13 HH12 ARG 1 1HH2 ARG 1 9.907 6.788 -0.159 14 HH21 ARG 1 1HH1 ARG 1 10.289 4.156 2.198 15 HH22 ARG 1 2HH1 ARG 1 9.890 5.810 2.005 16 H LYS 2 H LYS 2 13.473 -0.044 -1.108 17 HA LYS 2 HA LYS 2 12.021 -2.601 -1.203 18 HB2 LYS 2 2HB LYS 2 13.709 -1.175 0.893 19 HB3 LYS 2 3HB LYS 2 12.641 -2.522 1.319 20 HG2 LYS 2 2HG LYS 2 13.744 -3.971 -0.339 21 HG3 LYS 2 3HG LYS 2 14.865 -2.665 -0.770 22 HD2 LYS 2 2HD LYS 2 15.825 -2.686 1.486 23 HD3 LYS 2 3HD LYS 2 14.559 -3.786 2.046 24 HE2 LYS 2 2HE LYS 2 15.998 -5.452 1.635 25 HE3 LYS 2 3HE LYS 2 15.539 -5.235 -0.056 26 HZ1 LYS 2 3HZ LYS 2 17.904 -5.255 0.178 27 HZ2 LYS 2 1HZ LYS 2 17.460 -3.736 -0.268 28 HZ3 LYS 2 2HZ LYS 2 17.885 -4.052 1.294 29 H SER 3 H SER 3 9.898 -2.518 -1.123 30 HA SER 3 HA SER 3 8.432 -1.553 1.067 31 HB2 SER 3 2HB SER 3 7.015 0.094 -0.296 32 HB3 SER 3 3HB SER 3 8.580 0.673 0.279 33 HG SER 3 HG SER 3 7.969 -0.255 -2.336 34 H ILE 4 H ILE 4 5.941 -1.692 0.265 35 HA ILE 4 HA ILE 4 5.756 -4.043 -1.582 36 HB ILE 4 HB ILE 4 3.753 -3.467 0.575 37 HG12 ILE 4 2HG1 ILE 4 6.351 -5.054 0.812 38 HG13 ILE 4 3HG1 ILE 4 5.898 -3.620 1.744 39 HG21 ILE 4 1HG2 ILE 4 3.013 -5.647 0.132 40 HG22 ILE 4 2HG2 ILE 4 3.618 -5.262 -1.491 41 HG23 ILE 4 3HG2 ILE 4 4.612 -6.200 -0.404 42 HD11 ILE 4 3HD1 ILE 4 5.458 -5.405 3.184 43 HD12 ILE 4 1HD1 ILE 4 3.867 -4.936 2.535 44 HD13 ILE 4 2HD1 ILE 4 4.696 -6.376 1.902 45 H ARG 5 H ARG 5 2.698 -3.550 -1.399 46 HA ARG 5 HA ARG 5 2.531 -1.230 -3.173 47 HB2 ARG 5 2HB ARG 5 1.676 -4.111 -3.621 48 HB3 ARG 5 3HB ARG 5 0.678 -2.796 -4.219 49 HG2 ARG 5 2HG ARG 5 3.233 -1.987 -4.935 50 HG3 ARG 5 3HG ARG 5 3.332 -3.705 -5.157 51 HD2 ARG 5 2HD ARG 5 0.885 -2.320 -6.309 52 HD3 ARG 5 3HD ARG 5 2.429 -1.935 -7.037 53 HE ARG 5 HE ARG 5 2.569 -3.944 -8.012 54 HH11 ARG 5 2HH2 ARG 5 -0.044 -4.158 -5.634 55 HH12 ARG 5 1HH2 ARG 5 -0.607 -5.701 -6.168 56 HH21 ARG 5 1HH1 ARG 5 1.798 -5.973 -8.770 57 HH22 ARG 5 2HH1 ARG 5 0.462 -6.745 -8.007 58 H ILE 6 H ILE 6 0.304 -0.462 -3.322 59 HA ILE 6 HA ILE 6 -1.060 -0.627 -0.765 60 HB ILE 6 HB ILE 6 -1.319 1.667 -2.657 61 HG12 ILE 6 2HG1 ILE 6 0.916 1.159 -0.657 62 HG13 ILE 6 3HG1 ILE 6 1.100 1.381 -2.398 63 HG21 ILE 6 1HG2 ILE 6 -1.086 1.720 0.346 64 HG22 ILE 6 2HG2 ILE 6 -2.039 2.785 -0.702 65 HG23 ILE 6 3HG2 ILE 6 -2.606 1.150 -0.312 66 HD11 ILE 6 3HD1 ILE 6 1.736 3.441 -1.351 67 HD12 ILE 6 1HD1 ILE 6 0.178 3.714 -2.161 68 HD13 ILE 6 2HD1 ILE 6 0.250 3.505 -0.394 69 H GLN 7 H GLN 7 -3.312 0.749 -1.985 70 HA GLN 7 HA GLN 7 -4.554 -1.237 -3.758 71 HB2 GLN 7 2HB GLN 7 -4.981 -0.944 -0.830 72 HB3 GLN 7 3HB GLN 7 -6.474 -0.745 -1.724 73 HG2 GLN 7 2HG GLN 7 -4.609 -3.080 -2.297 74 HG3 GLN 7 3HG GLN 7 -5.791 -3.129 -0.979 75 HE21 GLN 7 2HE2 GLN 7 -6.939 -4.902 -2.102 76 HE22 GLN 7 1HE2 GLN 7 -7.973 -4.480 -3.454 77 H ARG 8 H ARG 8 -7.030 -0.183 -3.853 78 HA ARG 8 HA ARG 8 -6.962 2.111 -5.361 79 HB2 ARG 8 2HB ARG 8 -8.931 0.594 -4.850 80 HB3 ARG 8 3HB ARG 8 -9.132 1.435 -3.333 81 HG2 ARG 8 2HG ARG 8 -9.065 3.560 -5.168 82 HG3 ARG 8 3HG ARG 8 -9.835 2.286 -6.099 83 HD2 ARG 8 2HD ARG 8 -11.478 3.670 -4.932 84 HD3 ARG 8 3HD ARG 8 -11.530 2.000 -4.328 85 HE ARG 8 HE ARG 8 -9.774 3.362 -2.635 86 HH11 ARG 8 2HH2 ARG 8 -13.172 3.580 -3.550 87 HH12 ARG 8 1HH2 ARG 8 -13.712 4.248 -2.052 88 HH21 ARG 8 1HH1 ARG 8 -10.451 4.317 -0.625 89 HH22 ARG 8 2HH1 ARG 8 -12.117 4.660 -0.344 90 H GLY 9 H GLY 9 -7.064 1.968 -1.862 91 HA2 GLY 9 2HA GLY 9 -6.193 4.792 -1.705 92 HA3 GLY 9 3HA GLY 9 -7.645 4.349 -0.784 93 HA PRO 10 HA PRO 10 -3.935 3.540 1.860 94 HB2 PRO 10 2HB PRO 10 -4.930 4.420 4.223 95 HB3 PRO 10 3HB PRO 10 -4.426 5.534 2.912 96 HG2 PRO 10 2HG PRO 10 -7.227 4.550 3.547 97 HG3 PRO 10 3HG PRO 10 -6.685 6.247 3.316 98 HD2 PRO 10 2HD PRO 10 -7.791 4.786 1.301 99 HD3 PRO 10 3HD PRO 10 -6.468 5.953 0.981 100 H GLY 11 H GLY 11 -6.245 1.676 1.219 101 HA2 GLY 11 2HA GLY 11 -6.927 0.009 3.406 102 HA3 GLY 11 3HA GLY 11 -6.825 -0.471 1.700 103 H ARG 12 H ARG 12 -3.891 0.414 1.622 104 HA ARG 12 HA ARG 12 -2.615 -1.579 3.373 105 HB2 ARG 12 2HB ARG 12 -2.599 -1.563 0.383 106 HB3 ARG 12 3HB ARG 12 -0.986 -1.501 1.094 107 HG2 ARG 12 2HG ARG 12 -1.481 -3.793 0.802 108 HG3 ARG 12 3HG ARG 12 -1.574 -3.448 2.536 109 HD2 ARG 12 2HD ARG 12 -4.161 -3.094 1.962 110 HD3 ARG 12 3HD ARG 12 -3.796 -4.105 0.585 111 HE ARG 12 HE ARG 12 -3.934 -4.793 3.412 112 HH11 ARG 12 2HH2 ARG 12 -2.711 -5.841 0.277 113 HH12 ARG 12 1HH2 ARG 12 -2.544 -7.510 0.700 114 HH21 ARG 12 1HH1 ARG 12 -3.665 -7.020 4.044 115 HH22 ARG 12 2HH1 ARG 12 -3.093 -8.188 2.912 116 H ALA 13 H ALA 13 -0.218 -1.040 3.520 117 HA ALA 13 HA ALA 13 0.918 1.411 2.771 118 HB1 ALA 13 1HB ALA 13 0.995 2.453 5.081 119 HB2 ALA 13 2HB ALA 13 -0.611 2.529 4.336 120 HB3 ALA 13 3HB ALA 13 -0.270 1.315 5.591 121 H PHE 14 H PHE 14 3.197 1.033 3.131 122 HA PHE 14 HA PHE 14 4.227 -0.570 5.260 123 HB2 PHE 14 2HB PHE 14 3.314 -1.845 2.775 124 HB3 PHE 14 3HB PHE 14 4.996 -2.136 3.081 125 HD1 PHE 14 2HD PHE 14 5.712 -2.872 5.469 126 HD2 PHE 14 1HD PHE 14 1.752 -3.319 3.856 127 HE1 PHE 14 2HE PHE 14 5.262 -4.715 7.088 128 HE2 PHE 14 1HE PHE 14 1.299 -5.166 5.465 129 HZ PHE 14 HZ PHE 14 3.057 -5.862 7.080 130 H VAL 15 H VAL 15 4.650 1.897 4.482 131 HA VAL 15 HA VAL 15 7.351 1.968 3.440 132 HB VAL 15 HB VAL 15 5.945 2.022 1.402 133 HG11 VAL 15 1HG1 VAL 15 4.749 4.570 2.550 134 HG12 VAL 15 2HG1 VAL 15 4.490 3.936 0.909 135 HG13 VAL 15 3HG1 VAL 15 3.908 3.027 2.313 136 HG21 VAL 15 3HG2 VAL 15 7.684 3.166 0.626 137 HG22 VAL 15 1HG2 VAL 15 6.774 4.663 0.939 138 HG23 VAL 15 2HG2 VAL 15 7.888 4.032 2.156 Start of MODEL 18 1 H1 ARG 1 H1 ARG 1 15.385 -0.395 -3.787 2 H2 ARG 1 H2 ARG 1 15.532 1.256 -3.875 3 H3 ARG 1 H3 ARG 1 15.909 0.442 -2.487 4 HA ARG 1 HA ARG 1 13.819 1.476 -2.169 5 HB2 ARG 1 2HB ARG 1 11.914 0.960 -3.576 6 HB3 ARG 1 3HB ARG 1 13.196 1.659 -4.552 7 HG2 ARG 1 2HG ARG 1 13.544 -1.204 -4.650 8 HG3 ARG 1 3HG ARG 1 11.827 -0.882 -4.859 9 HD2 ARG 1 2HD ARG 1 12.314 0.617 -6.757 10 HD3 ARG 1 3HD ARG 1 14.045 0.488 -6.440 11 HE ARG 1 HE ARG 1 14.147 -1.546 -7.445 12 HH11 ARG 1 2HH2 ARG 1 10.737 -0.688 -7.083 13 HH12 ARG 1 1HH2 ARG 1 10.147 -2.003 -8.034 14 HH21 ARG 1 1HH1 ARG 1 13.378 -3.320 -8.711 15 HH22 ARG 1 2HH1 ARG 1 11.691 -3.523 -8.985 16 H LYS 2 H LYS 2 12.270 0.364 -0.739 17 HA LYS 2 HA LYS 2 12.058 -2.518 -0.951 18 HB2 LYS 2 2HB LYS 2 13.775 -1.278 1.151 19 HB3 LYS 2 3HB LYS 2 12.502 -2.333 1.763 20 HG2 LYS 2 2HG LYS 2 13.266 -4.097 0.072 21 HG3 LYS 2 3HG LYS 2 14.687 -3.073 -0.210 22 HD2 LYS 2 2HD LYS 2 15.253 -4.748 1.422 23 HD3 LYS 2 3HD LYS 2 15.186 -3.179 2.241 24 HE2 LYS 2 2HE LYS 2 12.548 -4.382 2.287 25 HE3 LYS 2 3HE LYS 2 13.706 -5.615 2.785 26 HZ1 LYS 2 3HZ LYS 2 13.476 -2.931 4.003 27 HZ2 LYS 2 1HZ LYS 2 12.871 -4.319 4.642 28 HZ3 LYS 2 2HZ LYS 2 14.496 -4.130 4.490 29 H SER 3 H SER 3 9.817 -2.368 -1.134 30 HA SER 3 HA SER 3 8.296 -1.757 1.201 31 HB2 SER 3 2HB SER 3 6.903 0.028 0.081 32 HB3 SER 3 3HB SER 3 8.526 0.550 0.549 33 HG SER 3 HG SER 3 7.489 0.011 -2.009 34 H ILE 4 H ILE 4 5.834 -1.815 0.321 35 HA ILE 4 HA ILE 4 5.706 -3.987 -1.743 36 HB ILE 4 HB ILE 4 3.637 -3.636 0.396 37 HG12 ILE 4 2HG1 ILE 4 6.219 -5.268 0.545 38 HG13 ILE 4 3HG1 ILE 4 5.791 -3.910 1.589 39 HG21 ILE 4 1HG2 ILE 4 3.516 -5.197 -1.821 40 HG22 ILE 4 2HG2 ILE 4 4.598 -6.214 -0.899 41 HG23 ILE 4 3HG2 ILE 4 2.993 -5.824 -0.250 42 HD11 ILE 4 3HD1 ILE 4 5.321 -5.874 2.818 43 HD12 ILE 4 1HD1 ILE 4 3.760 -5.172 2.322 44 HD13 ILE 4 2HD1 ILE 4 4.417 -6.591 1.466 45 H ARG 5 H ARG 5 2.652 -3.495 -1.588 46 HA ARG 5 HA ARG 5 2.506 -1.030 -3.152 47 HB2 ARG 5 2HB ARG 5 1.706 -3.881 -3.843 48 HB3 ARG 5 3HB ARG 5 0.638 -2.577 -4.317 49 HG2 ARG 5 2HG ARG 5 3.134 -1.585 -4.999 50 HG3 ARG 5 3HG ARG 5 3.316 -3.279 -5.353 51 HD2 ARG 5 2HD ARG 5 1.772 -3.232 -7.107 52 HD3 ARG 5 3HD ARG 5 0.760 -2.013 -6.319 53 HE ARG 5 HE ARG 5 3.219 -0.823 -7.084 54 HH11 ARG 5 2HH2 ARG 5 0.225 -2.065 -8.490 55 HH12 ARG 5 1HH2 ARG 5 0.131 -0.890 -9.753 56 HH21 ARG 5 1HH1 ARG 5 3.103 0.795 -8.768 57 HH22 ARG 5 2HH1 ARG 5 1.820 0.758 -9.916 58 H ILE 6 H ILE 6 0.268 -0.306 -3.333 59 HA ILE 6 HA ILE 6 -1.135 -0.570 -0.805 60 HB ILE 6 HB ILE 6 -1.397 1.729 -2.722 61 HG12 ILE 6 2HG1 ILE 6 0.733 1.329 -0.597 62 HG13 ILE 6 3HG1 ILE 6 1.023 1.467 -2.328 63 HG21 ILE 6 1HG2 ILE 6 -2.635 1.072 -0.280 64 HG22 ILE 6 2HG2 ILE 6 -1.299 2.076 0.226 65 HG23 ILE 6 3HG2 ILE 6 -2.471 2.719 -0.934 66 HD11 ILE 6 3HD1 ILE 6 0.527 3.751 -2.421 67 HD12 ILE 6 1HD1 ILE 6 -0.264 3.768 -0.833 68 HD13 ILE 6 2HD1 ILE 6 1.489 3.553 -0.944 69 H GLN 7 H GLN 7 -3.444 0.725 -1.949 70 HA GLN 7 HA GLN 7 -4.546 -1.199 -3.876 71 HB2 GLN 7 2HB GLN 7 -5.093 -1.054 -0.946 72 HB3 GLN 7 3HB GLN 7 -6.547 -0.980 -1.909 73 HG2 GLN 7 2HG GLN 7 -4.494 -3.110 -2.570 74 HG3 GLN 7 3HG GLN 7 -5.515 -3.299 -1.144 75 HE21 GLN 7 2HE2 GLN 7 -5.652 -2.973 -4.758 76 HE22 GLN 7 1HE2 GLN 7 -7.287 -3.611 -4.817 77 H ARG 8 H ARG 8 -7.157 -0.205 -3.755 78 HA ARG 8 HA ARG 8 -7.125 2.064 -5.312 79 HB2 ARG 8 2HB ARG 8 -9.040 0.505 -4.776 80 HB3 ARG 8 3HB ARG 8 -9.273 1.348 -3.257 81 HG2 ARG 8 2HG ARG 8 -9.178 3.252 -5.500 82 HG3 ARG 8 3HG ARG 8 -10.370 1.989 -5.791 83 HD2 ARG 8 2HD ARG 8 -11.476 3.810 -4.649 84 HD3 ARG 8 3HD ARG 8 -11.405 2.414 -3.583 85 HE ARG 8 HE ARG 8 -10.030 3.550 -2.125 86 HH11 ARG 8 2HH2 ARG 8 -10.056 5.283 -5.206 87 HH12 ARG 8 1HH2 ARG 8 -9.419 6.758 -4.580 88 HH21 ARG 8 1HH1 ARG 8 -9.331 5.607 -1.225 89 HH22 ARG 8 2HH1 ARG 8 -8.934 6.910 -2.284 90 H GLY 9 H GLY 9 -7.172 1.913 -1.817 91 HA2 GLY 9 2HA GLY 9 -6.354 4.761 -1.653 92 HA3 GLY 9 3HA GLY 9 -7.727 4.214 -0.662 93 HA PRO 10 HA PRO 10 -3.821 3.486 1.721 94 HB2 PRO 10 2HB PRO 10 -4.623 4.473 4.108 95 HB3 PRO 10 3HB PRO 10 -4.207 5.531 2.722 96 HG2 PRO 10 2HG PRO 10 -6.966 4.617 3.603 97 HG3 PRO 10 3HG PRO 10 -6.419 6.295 3.271 98 HD2 PRO 10 2HD PRO 10 -7.691 4.774 1.399 99 HD3 PRO 10 3HD PRO 10 -6.391 5.921 0.941 100 H GLY 11 H GLY 11 -6.132 1.634 1.262 101 HA2 GLY 11 2HA GLY 11 -6.755 0.080 3.557 102 HA3 GLY 11 3HA GLY 11 -6.769 -0.466 1.869 103 H ARG 12 H ARG 12 -3.783 0.421 1.715 104 HA ARG 12 HA ARG 12 -2.450 -1.598 3.386 105 HB2 ARG 12 2HB ARG 12 -2.586 -1.480 0.394 106 HB3 ARG 12 3HB ARG 12 -0.951 -1.568 1.038 107 HG2 ARG 12 2HG ARG 12 -1.852 -3.762 0.481 108 HG3 ARG 12 3HG ARG 12 -1.432 -3.633 2.196 109 HD2 ARG 12 2HD ARG 12 -3.725 -3.532 2.854 110 HD3 ARG 12 3HD ARG 12 -4.266 -3.181 1.208 111 HE ARG 12 HE ARG 12 -4.264 -5.398 0.714 112 HH11 ARG 12 2HH2 ARG 12 -2.551 -4.950 3.765 113 HH12 ARG 12 1HH2 ARG 12 -2.398 -6.632 4.126 114 HH21 ARG 12 1HH1 ARG 12 -4.113 -7.666 1.181 115 HH22 ARG 12 2HH1 ARG 12 -3.330 -8.211 2.617 116 H ALA 13 H ALA 13 -0.062 -1.035 3.468 117 HA ALA 13 HA ALA 13 1.045 1.396 2.596 118 HB1 ALA 13 1HB ALA 13 -0.018 1.362 5.468 119 HB2 ALA 13 2HB ALA 13 1.226 2.486 4.879 120 HB3 ALA 13 3HB ALA 13 -0.412 2.550 4.203 121 H PHE 14 H PHE 14 3.364 1.029 2.890 122 HA PHE 14 HA PHE 14 4.446 -0.619 4.940 123 HB2 PHE 14 2HB PHE 14 3.309 -1.883 2.563 124 HB3 PHE 14 3HB PHE 14 5.007 -2.215 2.696 125 HD1 PHE 14 1HD PHE 14 5.919 -2.881 5.060 126 HD2 PHE 14 2HD PHE 14 1.846 -3.344 3.776 127 HE1 PHE 14 1HE PHE 14 5.586 -4.671 6.772 128 HE2 PHE 14 2HE PHE 14 1.503 -5.131 5.479 129 HZ PHE 14 HZ PHE 14 3.377 -5.794 6.973 130 H VAL 15 H VAL 15 4.955 1.748 4.284 131 HA VAL 15 HA VAL 15 7.571 1.823 3.075 132 HB VAL 15 HB VAL 15 6.007 2.026 1.143 133 HG11 VAL 15 1HG1 VAL 15 5.196 4.755 2.152 134 HG12 VAL 15 2HG1 VAL 15 4.481 3.772 0.854 135 HG13 VAL 15 3HG1 VAL 15 4.241 3.321 2.552 136 HG21 VAL 15 3HG2 VAL 15 8.236 3.010 1.036 137 HG22 VAL 15 1HG2 VAL 15 7.065 3.995 0.129 138 HG23 VAL 15 2HG2 VAL 15 7.631 4.523 1.733 Start of MODEL 19 1 H1 ARG 1 H1 ARG 1 12.575 -3.285 4.092 2 H2 ARG 1 H2 ARG 1 13.426 -2.644 5.354 3 H3 ARG 1 H3 ARG 1 12.414 -1.697 4.454 4 HA ARG 1 HA ARG 1 14.674 -1.239 3.886 5 HB2 ARG 1 2HB ARG 1 15.594 -3.505 4.384 6 HB3 ARG 1 3HB ARG 1 14.737 -4.152 2.993 7 HG2 ARG 1 2HG ARG 1 16.891 -3.837 2.184 8 HG3 ARG 1 3HG ARG 1 16.066 -2.402 1.572 9 HD2 ARG 1 2HD ARG 1 17.087 -1.017 3.299 10 HD3 ARG 1 3HD ARG 1 17.629 -2.456 4.187 11 HE ARG 1 HE ARG 1 18.658 -2.141 1.457 12 HH11 ARG 1 2HH2 ARG 1 19.300 -1.538 4.887 13 HH12 ARG 1 1HH2 ARG 1 21.017 -1.610 4.736 14 HH21 ARG 1 1HH1 ARG 1 20.972 -2.235 1.243 15 HH22 ARG 1 2HH1 ARG 1 21.975 -1.980 2.616 16 H LYS 2 H LYS 2 13.165 -3.716 1.676 17 HA LYS 2 HA LYS 2 12.764 -1.600 -0.290 18 HB2 LYS 2 2HB LYS 2 12.899 -4.484 -0.329 19 HB3 LYS 2 3HB LYS 2 11.283 -4.044 -0.883 20 HG2 LYS 2 2HG LYS 2 12.301 -2.442 -2.515 21 HG3 LYS 2 3HG LYS 2 13.911 -2.915 -1.937 22 HD2 LYS 2 2HD LYS 2 13.290 -5.320 -2.580 23 HD3 LYS 2 3HD LYS 2 11.879 -4.628 -3.417 24 HE2 LYS 2 2HE LYS 2 13.432 -3.149 -4.720 25 HE3 LYS 2 3HE LYS 2 14.807 -3.888 -3.886 26 HZ1 LYS 2 3HZ LYS 2 14.128 -6.019 -4.850 27 HZ2 LYS 2 1HZ LYS 2 12.929 -5.268 -5.695 28 HZ3 LYS 2 2HZ LYS 2 14.503 -4.908 -6.003 29 H SER 3 H SER 3 10.289 -1.930 -1.254 30 HA SER 3 HA SER 3 8.396 -1.442 0.980 31 HB2 SER 3 2HB SER 3 8.440 0.041 -1.667 32 HB3 SER 3 3HB SER 3 7.532 0.409 -0.192 33 HG SER 3 HG SER 3 9.193 1.761 -0.193 34 H ILE 4 H ILE 4 6.101 -1.269 -0.268 35 HA ILE 4 HA ILE 4 5.889 -3.622 -2.098 36 HB ILE 4 HB ILE 4 3.927 -3.258 0.148 37 HG12 ILE 4 2HG1 ILE 4 6.596 -4.727 0.205 38 HG13 ILE 4 3HG1 ILE 4 6.079 -3.429 1.283 39 HG21 ILE 4 1HG2 ILE 4 3.401 -5.550 -0.355 40 HG22 ILE 4 2HG2 ILE 4 3.600 -4.828 -1.954 41 HG23 ILE 4 3HG2 ILE 4 4.912 -5.775 -1.266 42 HD11 ILE 4 3HD1 ILE 4 4.191 -4.927 2.047 43 HD12 ILE 4 1HD1 ILE 4 5.006 -6.248 1.168 44 HD13 ILE 4 2HD1 ILE 4 5.834 -5.432 2.508 45 H ARG 5 H ARG 5 2.750 -3.063 -1.622 46 HA ARG 5 HA ARG 5 2.511 -0.682 -3.270 47 HB2 ARG 5 2HB ARG 5 1.714 -3.557 -3.920 48 HB3 ARG 5 3HB ARG 5 0.753 -2.205 -4.489 49 HG2 ARG 5 2HG ARG 5 3.291 -1.335 -5.082 50 HG3 ARG 5 3HG ARG 5 3.472 -3.050 -5.325 51 HD2 ARG 5 2HD ARG 5 1.272 -1.326 -6.573 52 HD3 ARG 5 3HD ARG 5 2.790 -1.725 -7.391 53 HE ARG 5 HE ARG 5 1.784 -4.178 -6.709 54 HH11 ARG 5 2HH2 ARG 5 0.513 -1.425 -8.525 55 HH12 ARG 5 1HH2 ARG 5 -0.409 -2.369 -9.640 56 HH21 ARG 5 1HH1 ARG 5 0.576 -5.480 -8.226 57 HH22 ARG 5 2HH1 ARG 5 -0.362 -4.727 -9.460 58 H ILE 6 H ILE 6 0.313 0.015 -3.386 59 HA ILE 6 HA ILE 6 -1.089 -0.259 -0.848 60 HB ILE 6 HB ILE 6 -1.361 1.961 -2.863 61 HG12 ILE 6 2HG1 ILE 6 0.702 1.661 -0.659 62 HG13 ILE 6 3HG1 ILE 6 1.050 1.761 -2.377 63 HG21 ILE 6 1HG2 ILE 6 -2.626 1.354 -0.376 64 HG22 ILE 6 2HG2 ILE 6 -1.429 2.546 0.031 65 HG23 ILE 6 3HG2 ILE 6 -2.632 2.925 -1.216 66 HD11 ILE 6 3HD1 ILE 6 1.460 3.903 -1.138 67 HD12 ILE 6 1HD1 ILE 6 0.433 4.023 -2.580 68 HD13 ILE 6 2HD1 ILE 6 -0.290 4.091 -0.965 69 H GLN 7 H GLN 7 -3.395 1.012 -2.078 70 HA GLN 7 HA GLN 7 -4.595 -1.133 -3.683 71 HB2 GLN 7 2HB GLN 7 -4.757 -0.829 -0.736 72 HB3 GLN 7 3HB GLN 7 -6.350 -0.760 -1.461 73 HG2 GLN 7 2HG GLN 7 -4.359 -2.949 -2.205 74 HG3 GLN 7 3HG GLN 7 -5.439 -3.081 -0.809 75 HE21 GLN 7 2HE2 GLN 7 -5.267 -3.512 -4.254 76 HE22 GLN 7 1HE2 GLN 7 -6.988 -3.743 -4.486 77 H ARG 8 H ARG 8 -7.142 -0.421 -3.521 78 HA ARG 8 HA ARG 8 -7.601 1.800 -5.114 79 HB2 ARG 8 2HB ARG 8 -9.358 0.686 -2.887 80 HB3 ARG 8 3HB ARG 8 -9.933 1.724 -4.189 81 HG2 ARG 8 2HG ARG 8 -9.748 0.069 -5.815 82 HG3 ARG 8 3HG ARG 8 -8.525 -0.856 -4.946 83 HD2 ARG 8 2HD ARG 8 -11.413 -0.577 -4.037 84 HD3 ARG 8 3HD ARG 8 -10.760 -1.940 -4.970 85 HE ARG 8 HE ARG 8 -9.177 -1.569 -2.598 86 HH11 ARG 8 2HH2 ARG 8 -12.361 -2.713 -3.606 87 HH12 ARG 8 1HH2 ARG 8 -12.481 -3.922 -2.375 88 HH21 ARG 8 1HH1 ARG 8 -9.226 -3.261 -1.129 89 HH22 ARG 8 2HH1 ARG 8 -10.682 -4.153 -0.806 90 H GLY 9 H GLY 9 -7.268 1.705 -1.611 91 HA2 GLY 9 2HA GLY 9 -6.651 4.530 -1.544 92 HA3 GLY 9 3HA GLY 9 -8.049 4.045 -0.547 93 HA PRO 10 HA PRO 10 -4.094 3.402 1.754 94 HB2 PRO 10 2HB PRO 10 -4.889 4.294 4.197 95 HB3 PRO 10 3HB PRO 10 -4.514 5.381 2.821 96 HG2 PRO 10 2HG PRO 10 -7.234 4.387 3.732 97 HG3 PRO 10 3HG PRO 10 -6.737 6.084 3.410 98 HD2 PRO 10 2HD PRO 10 -8.001 4.588 1.531 99 HD3 PRO 10 3HD PRO 10 -6.684 5.716 1.070 100 H GLY 11 H GLY 11 -6.358 1.319 1.455 101 HA2 GLY 11 2HA GLY 11 -6.564 -0.147 3.904 102 HA3 GLY 11 3HA GLY 11 -6.700 -0.837 2.276 103 H ARG 12 H ARG 12 -3.890 0.259 1.652 104 HA ARG 12 HA ARG 12 -2.194 -1.503 3.325 105 HB2 ARG 12 2HB ARG 12 -2.500 -1.436 0.337 106 HB3 ARG 12 3HB ARG 12 -0.851 -1.349 0.911 107 HG2 ARG 12 2HG ARG 12 -1.607 -3.622 0.343 108 HG3 ARG 12 3HG ARG 12 -0.942 -3.464 1.965 109 HD2 ARG 12 2HD ARG 12 -3.927 -3.246 1.635 110 HD3 ARG 12 3HD ARG 12 -3.203 -4.837 1.427 111 HE ARG 12 HE ARG 12 -3.558 -3.370 3.880 112 HH11 ARG 12 2HH2 ARG 12 -1.615 -5.881 2.346 113 HH12 ARG 12 1HH2 ARG 12 -1.110 -6.626 3.823 114 HH21 ARG 12 1HH1 ARG 12 -2.865 -4.289 5.863 115 HH22 ARG 12 2HH1 ARG 12 -1.846 -5.683 5.889 116 H ALA 13 H ALA 13 -0.006 -0.682 3.405 117 HA ALA 13 HA ALA 13 0.839 1.726 2.136 118 HB1 ALA 13 1HB ALA 13 -0.427 2.806 4.005 119 HB2 ALA 13 2HB ALA 13 0.404 1.741 5.171 120 HB3 ALA 13 3HB ALA 13 1.331 2.950 4.255 121 H PHE 14 H PHE 14 3.205 1.404 2.032 122 HA PHE 14 HA PHE 14 4.429 -0.092 4.216 123 HB2 PHE 14 2HB PHE 14 3.246 -1.540 2.114 124 HB3 PHE 14 3HB PHE 14 4.941 -1.593 1.747 125 HD1 PHE 14 2HD PHE 14 6.558 -2.171 3.768 126 HD2 PHE 14 1HD PHE 14 2.323 -2.949 3.780 127 HE1 PHE 14 2HE PHE 14 6.851 -3.760 5.658 128 HE2 PHE 14 1HE PHE 14 2.606 -4.513 5.667 129 HZ PHE 14 HZ PHE 14 4.879 -4.945 6.607 130 H VAL 15 H VAL 15 4.714 2.358 3.167 131 HA VAL 15 HA VAL 15 5.980 3.929 2.097 132 HB VAL 15 HB VAL 15 8.176 1.874 1.673 133 HG11 VAL 15 1HG1 VAL 15 8.222 4.921 1.930 134 HG12 VAL 15 2HG1 VAL 15 9.636 3.879 1.657 135 HG13 VAL 15 3HG1 VAL 15 8.387 4.022 0.412 136 HG21 VAL 15 3HG2 VAL 15 7.776 1.876 4.071 137 HG22 VAL 15 1HG2 VAL 15 9.233 2.814 3.745 138 HG23 VAL 15 2HG2 VAL 15 7.706 3.655 4.099 Start of MODEL 20 1 H1 ARG 1 H1 ARG 1 12.322 -2.977 -5.834 2 H2 ARG 1 H2 ARG 1 13.332 -1.956 -6.664 3 H3 ARG 1 H3 ARG 1 13.857 -2.773 -5.323 4 HA ARG 1 HA ARG 1 13.459 -0.529 -4.696 5 HB2 ARG 1 2HB ARG 1 11.893 0.103 -6.424 6 HB3 ARG 1 3HB ARG 1 10.694 -1.084 -5.874 7 HG2 ARG 1 2HG ARG 1 10.301 0.107 -3.844 8 HG3 ARG 1 3HG ARG 1 11.723 1.125 -4.066 9 HD2 ARG 1 2HD ARG 1 9.915 2.529 -4.585 10 HD3 ARG 1 3HD ARG 1 10.598 2.066 -6.153 11 HE ARG 1 HE ARG 1 8.418 0.359 -5.229 12 HH11 ARG 1 2HH2 ARG 1 9.167 3.410 -6.848 13 HH12 ARG 1 1HH2 ARG 1 7.637 3.570 -7.626 14 HH21 ARG 1 1HH1 ARG 1 6.336 0.554 -6.262 15 HH22 ARG 1 2HH1 ARG 1 5.997 1.903 -7.284 16 H LYS 2 H LYS 2 12.480 -0.081 -2.480 17 HA LYS 2 HA LYS 2 11.860 -2.652 -1.221 18 HB2 LYS 2 2HB LYS 2 13.598 -0.624 -0.422 19 HB3 LYS 2 3HB LYS 2 12.166 -0.283 0.556 20 HG2 LYS 2 2HG LYS 2 12.215 -2.825 1.159 21 HG3 LYS 2 3HG LYS 2 13.792 -2.848 0.376 22 HD2 LYS 2 2HD LYS 2 14.552 -2.440 2.461 23 HD3 LYS 2 3HD LYS 2 14.172 -0.750 2.087 24 HE2 LYS 2 2HE LYS 2 12.008 -0.940 3.216 25 HE3 LYS 2 3HE LYS 2 12.196 -2.695 3.365 26 HZ1 LYS 2 3HZ LYS 2 12.690 -1.611 5.428 27 HZ2 LYS 2 1HZ LYS 2 14.050 -2.324 4.847 28 HZ3 LYS 2 2HZ LYS 2 13.865 -0.690 4.740 29 H SER 3 H SER 3 10.364 -2.071 0.943 30 HA SER 3 HA SER 3 8.211 -1.848 1.596 31 HB2 SER 3 2HB SER 3 8.089 0.403 -0.451 32 HB3 SER 3 3HB SER 3 6.859 0.042 0.760 33 HG SER 3 HG SER 3 8.172 0.570 2.343 34 H ILE 4 H ILE 4 5.842 -1.688 0.455 35 HA ILE 4 HA ILE 4 5.857 -3.930 -1.523 36 HB ILE 4 HB ILE 4 3.728 -3.569 0.567 37 HG12 ILE 4 2HG1 ILE 4 6.360 -5.095 0.809 38 HG13 ILE 4 3HG1 ILE 4 5.811 -3.764 1.831 39 HG21 ILE 4 1HG2 ILE 4 3.561 -5.140 -1.572 40 HG22 ILE 4 2HG2 ILE 4 4.784 -6.105 -0.760 41 HG23 ILE 4 3HG2 ILE 4 3.204 -5.843 0.008 42 HD11 ILE 4 3HD1 ILE 4 3.822 -5.191 2.478 43 HD12 ILE 4 1HD1 ILE 4 4.651 -6.547 1.673 44 HD13 ILE 4 2HD1 ILE 4 5.408 -5.748 3.064 45 H ARG 5 H ARG 5 2.695 -3.362 -1.290 46 HA ARG 5 HA ARG 5 2.630 -1.011 -3.015 47 HB2 ARG 5 2HB ARG 5 1.772 -3.869 -3.601 48 HB3 ARG 5 3HB ARG 5 0.857 -2.516 -4.238 49 HG2 ARG 5 2HG ARG 5 3.472 -1.741 -4.746 50 HG3 ARG 5 3HG ARG 5 3.551 -3.462 -4.995 51 HD2 ARG 5 2HD ARG 5 1.482 -1.604 -6.263 52 HD3 ARG 5 3HD ARG 5 2.979 -2.090 -7.069 53 HE ARG 5 HE ARG 5 2.018 -4.492 -6.580 54 HH11 ARG 5 2HH2 ARG 5 0.216 -1.677 -7.775 55 HH12 ARG 5 1HH2 ARG 5 -0.868 -2.598 -8.747 56 HH21 ARG 5 1HH1 ARG 5 0.589 -5.726 -7.921 57 HH22 ARG 5 2HH1 ARG 5 -0.643 -4.942 -8.832 58 H ILE 6 H ILE 6 0.438 -0.198 -3.200 59 HA ILE 6 HA ILE 6 -1.013 -0.430 -0.689 60 HB ILE 6 HB ILE 6 -1.234 1.824 -2.644 61 HG12 ILE 6 2HG1 ILE 6 0.865 1.407 -0.487 62 HG13 ILE 6 3HG1 ILE 6 1.160 1.608 -2.215 63 HG21 ILE 6 1HG2 ILE 6 -2.316 2.879 -0.893 64 HG22 ILE 6 2HG2 ILE 6 -2.593 1.232 -0.277 65 HG23 ILE 6 3HG2 ILE 6 -1.247 2.159 0.324 66 HD11 ILE 6 3HD1 ILE 6 0.153 3.760 -0.323 67 HD12 ILE 6 1HD1 ILE 6 1.688 3.694 -1.194 68 HD13 ILE 6 2HD1 ILE 6 0.175 3.916 -2.096 69 H GLN 7 H GLN 7 -3.277 0.880 -1.978 70 HA GLN 7 HA GLN 7 -4.394 -1.167 -3.770 71 HB2 GLN 7 2HB GLN 7 -4.918 -0.879 -0.872 72 HB3 GLN 7 3HB GLN 7 -6.395 -0.646 -1.792 73 HG2 GLN 7 2HG GLN 7 -4.558 -3.006 -2.337 74 HG3 GLN 7 3HG GLN 7 -5.779 -3.041 -1.057 75 HE21 GLN 7 2HE2 GLN 7 -7.410 -4.408 -1.905 76 HE22 GLN 7 1HE2 GLN 7 -8.172 -4.076 -3.449 77 H ARG 8 H ARG 8 -6.872 -0.226 -4.033 78 HA ARG 8 HA ARG 8 -6.883 2.101 -5.494 79 HB2 ARG 8 2HB ARG 8 -8.756 0.457 -5.138 80 HB3 ARG 8 3HB ARG 8 -9.096 1.197 -3.589 81 HG2 ARG 8 2HG ARG 8 -8.993 3.296 -5.611 82 HG3 ARG 8 3HG ARG 8 -10.016 1.995 -6.194 83 HD2 ARG 8 2HD ARG 8 -11.363 3.620 -4.965 84 HD3 ARG 8 3HD ARG 8 -11.367 2.059 -4.153 85 HE ARG 8 HE ARG 8 -10.293 2.958 -2.331 86 HH11 ARG 8 2HH2 ARG 8 -9.855 5.223 -4.990 87 HH12 ARG 8 1HH2 ARG 8 -9.599 6.611 -4.002 88 HH21 ARG 8 1HH1 ARG 8 -10.070 4.830 -0.959 89 HH22 ARG 8 2HH1 ARG 8 -9.659 6.356 -1.653 90 H GLY 9 H GLY 9 -7.091 1.838 -2.029 91 HA2 GLY 9 2HA GLY 9 -6.450 4.722 -1.745 92 HA3 GLY 9 3HA GLY 9 -7.802 4.062 -0.797 93 HA PRO 10 HA PRO 10 -3.843 3.452 1.558 94 HB2 PRO 10 2HB PRO 10 -4.624 4.501 3.929 95 HB3 PRO 10 3HB PRO 10 -4.180 5.511 2.519 96 HG2 PRO 10 2HG PRO 10 -6.963 4.692 3.414 97 HG3 PRO 10 3HG PRO 10 -6.371 6.348 3.044 98 HD2 PRO 10 2HD PRO 10 -7.677 4.837 1.198 99 HD3 PRO 10 3HD PRO 10 -6.321 5.907 0.724 100 H GLY 11 H GLY 11 -6.104 1.561 1.150 101 HA2 GLY 11 2HA GLY 11 -6.627 0.131 3.604 102 HA3 GLY 11 3HA GLY 11 -6.913 -0.449 1.954 103 H ARG 12 H ARG 12 -3.718 0.477 1.974 104 HA ARG 12 HA ARG 12 -2.475 -1.713 3.415 105 HB2 ARG 12 2HB ARG 12 -2.498 -1.354 0.438 106 HB3 ARG 12 3HB ARG 12 -0.889 -1.477 1.130 107 HG2 ARG 12 2HG ARG 12 -1.790 -3.618 0.327 108 HG3 ARG 12 3HG ARG 12 -1.345 -3.638 2.055 109 HD2 ARG 12 2HD ARG 12 -3.548 -3.612 2.765 110 HD3 ARG 12 3HD ARG 12 -4.170 -3.070 1.171 111 HE ARG 12 HE ARG 12 -3.011 -5.589 0.812 112 HH11 ARG 12 2HH2 ARG 12 -5.607 -4.078 2.663 113 HH12 ARG 12 1HH2 ARG 12 -6.673 -5.445 2.636 114 HH21 ARG 12 1HH1 ARG 12 -4.413 -7.475 0.749 115 HH22 ARG 12 2HH1 ARG 12 -5.959 -7.442 1.510 116 H ALA 13 H ALA 13 -0.186 -1.103 3.745 117 HA ALA 13 HA ALA 13 0.979 1.337 2.908 118 HB1 ALA 13 1HB ALA 13 -0.125 1.264 5.765 119 HB2 ALA 13 2HB ALA 13 1.066 2.440 5.171 120 HB3 ALA 13 3HB ALA 13 -0.574 2.428 4.496 121 H PHE 14 H PHE 14 3.300 0.999 3.295 122 HA PHE 14 HA PHE 14 4.274 -0.695 5.379 123 HB2 PHE 14 2HB PHE 14 3.392 -1.871 2.845 124 HB3 PHE 14 3HB PHE 14 5.081 -2.169 3.139 125 HD1 PHE 14 2HD PHE 14 5.758 -2.940 5.549 126 HD2 PHE 14 1HD PHE 14 1.829 -3.391 3.864 127 HE1 PHE 14 2HE PHE 14 5.277 -4.777 7.167 128 HE2 PHE 14 1HE PHE 14 1.345 -5.229 5.475 129 HZ PHE 14 HZ PHE 14 3.071 -5.919 7.125 130 H VAL 15 H VAL 15 4.713 1.773 4.759 131 HA VAL 15 HA VAL 15 7.441 1.963 3.834 132 HB VAL 15 HB VAL 15 6.098 2.110 1.747 133 HG11 VAL 15 1HG1 VAL 15 4.071 3.196 2.911 134 HG12 VAL 15 2HG1 VAL 15 4.952 4.723 2.759 135 HG13 VAL 15 3HG1 VAL 15 4.513 3.800 1.302 136 HG21 VAL 15 3HG2 VAL 15 7.414 4.737 2.521 137 HG22 VAL 15 1HG2 VAL 15 8.244 3.293 1.915 138 HG23 VAL 15 2HG2 VAL 15 7.101 4.158 0.867 Start of MODEL 21 1 H1 ARG 1 H1 ARG 1 14.700 -4.279 4.536 2 H2 ARG 1 H2 ARG 1 15.960 -3.441 3.861 3 H3 ARG 1 H3 ARG 1 14.709 -2.639 4.579 4 HA ARG 1 HA ARG 1 14.403 -2.457 2.269 5 HB2 ARG 1 2HB ARG 1 14.314 -4.370 0.815 6 HB3 ARG 1 3HB ARG 1 15.821 -4.414 1.724 7 HG2 ARG 1 2HG ARG 1 14.364 -6.012 3.352 8 HG3 ARG 1 3HG ARG 1 13.437 -6.247 1.861 9 HD2 ARG 1 2HD ARG 1 15.617 -6.828 0.700 10 HD3 ARG 1 3HD ARG 1 16.439 -6.641 2.263 11 HE ARG 1 HE ARG 1 14.211 -8.530 2.249 12 HH11 ARG 1 2HH2 ARG 1 17.701 -8.166 1.751 13 HH12 ARG 1 1HH2 ARG 1 18.070 -9.827 2.030 14 HH21 ARG 1 1HH1 ARG 1 14.695 -10.779 2.591 15 HH22 ARG 1 2HH1 ARG 1 16.321 -11.338 2.499 16 H LYS 2 H LYS 2 12.236 -2.278 1.549 17 HA LYS 2 HA LYS 2 10.187 -4.042 2.407 18 HB2 LYS 2 2HB LYS 2 10.068 -1.163 3.449 19 HB3 LYS 2 3HB LYS 2 8.648 -2.176 3.180 20 HG2 LYS 2 2HG LYS 2 8.868 -2.754 5.304 21 HG3 LYS 2 3HG LYS 2 9.994 -3.931 4.660 22 HD2 LYS 2 2HD LYS 2 11.790 -2.031 5.111 23 HD3 LYS 2 3HD LYS 2 10.508 -1.321 6.109 24 HE2 LYS 2 2HE LYS 2 10.274 -3.568 7.267 25 HE3 LYS 2 3HE LYS 2 11.666 -4.141 6.338 26 HZ1 LYS 2 3HZ LYS 2 12.979 -2.392 7.422 27 HZ2 LYS 2 1HZ LYS 2 11.669 -1.924 8.297 28 HZ3 LYS 2 2HZ LYS 2 12.316 -3.415 8.524 29 H SER 3 H SER 3 8.666 -1.204 1.482 30 HA SER 3 HA SER 3 8.145 -0.167 -0.422 31 HB2 SER 3 2HB SER 3 10.479 -1.602 -1.720 32 HB3 SER 3 3HB SER 3 9.598 -0.208 -2.350 33 HG SER 3 HG SER 3 10.327 1.023 -0.644 34 H ILE 4 H ILE 4 6.169 -0.982 -0.849 35 HA ILE 4 HA ILE 4 5.987 -3.362 -2.619 36 HB ILE 4 HB ILE 4 4.198 -3.117 -0.208 37 HG12 ILE 4 2HG1 ILE 4 6.937 -4.405 -0.430 38 HG13 ILE 4 3HG1 ILE 4 6.384 -3.230 0.764 39 HG21 ILE 4 1HG2 ILE 4 3.417 -5.185 -0.855 40 HG22 ILE 4 2HG2 ILE 4 4.024 -4.721 -2.461 41 HG23 ILE 4 3HG2 ILE 4 5.007 -5.730 -1.433 42 HD11 ILE 4 3HD1 ILE 4 5.802 -6.163 0.594 43 HD12 ILE 4 1HD1 ILE 4 6.446 -5.201 1.936 44 HD13 ILE 4 2HD1 ILE 4 4.720 -5.069 1.497 45 H ARG 5 H ARG 5 2.910 -3.116 -2.069 46 HA ARG 5 HA ARG 5 2.448 -0.696 -3.660 47 HB2 ARG 5 2HB ARG 5 1.681 -3.586 -4.194 48 HB3 ARG 5 3HB ARG 5 0.619 -2.279 -4.680 49 HG2 ARG 5 2HG ARG 5 3.076 -1.335 -5.525 50 HG3 ARG 5 3HG ARG 5 3.251 -3.049 -5.791 51 HD2 ARG 5 2HD ARG 5 0.923 -1.333 -6.782 52 HD3 ARG 5 3HD ARG 5 2.316 -1.782 -7.776 53 HE ARG 5 HE ARG 5 1.466 -4.204 -7.007 54 HH11 ARG 5 2HH2 ARG 5 -0.334 -1.476 -8.367 55 HH12 ARG 5 1HH2 ARG 5 -1.500 -2.449 -9.188 56 HH21 ARG 5 1HH1 ARG 5 -0.069 -5.527 -8.138 57 HH22 ARG 5 2HH1 ARG 5 -1.332 -4.802 -9.060 58 H ILE 6 H ILE 6 0.163 -0.084 -3.619 59 HA ILE 6 HA ILE 6 -0.945 -0.332 -0.940 60 HB ILE 6 HB ILE 6 -1.561 1.862 -2.877 61 HG12 ILE 6 2HG1 ILE 6 0.832 1.581 -1.023 62 HG13 ILE 6 3HG1 ILE 6 0.887 1.782 -2.779 63 HG21 ILE 6 1HG2 ILE 6 -1.126 2.113 0.086 64 HG22 ILE 6 2HG2 ILE 6 -2.269 2.992 -0.940 65 HG23 ILE 6 3HG2 ILE 6 -2.615 1.336 -0.392 66 HD11 ILE 6 3HD1 ILE 6 1.436 3.902 -1.831 67 HD12 ILE 6 1HD1 ILE 6 -0.194 4.040 -2.523 68 HD13 ILE 6 2HD1 ILE 6 0.028 3.889 -0.764 69 H GLN 7 H GLN 7 -3.427 0.815 -1.968 70 HA GLN 7 HA GLN 7 -4.673 -1.365 -3.492 71 HB2 GLN 7 2HB GLN 7 -4.807 -0.947 -0.553 72 HB3 GLN 7 3HB GLN 7 -6.402 -0.907 -1.279 73 HG2 GLN 7 2HG GLN 7 -4.433 -3.132 -1.931 74 HG3 GLN 7 3HG GLN 7 -5.481 -3.188 -0.504 75 HE21 GLN 7 2HE2 GLN 7 -7.061 -4.737 -1.054 76 HE22 GLN 7 1HE2 GLN 7 -8.023 -4.607 -2.512 77 H ARG 8 H ARG 8 -7.213 -0.556 -3.403 78 HA ARG 8 HA ARG 8 -7.549 1.711 -4.933 79 HB2 ARG 8 2HB ARG 8 -9.478 1.009 -2.681 80 HB3 ARG 8 3HB ARG 8 -9.821 1.934 -4.124 81 HG2 ARG 8 2HG ARG 8 -10.638 -0.002 -4.940 82 HG3 ARG 8 3HG ARG 8 -8.952 -0.379 -5.291 83 HD2 ARG 8 2HD ARG 8 -10.031 -2.274 -4.138 84 HD3 ARG 8 3HD ARG 8 -8.786 -1.575 -3.115 85 HE ARG 8 HE ARG 8 -10.282 -0.957 -1.566 86 HH11 ARG 8 2HH2 ARG 8 -12.047 -1.760 -4.520 87 HH12 ARG 8 1HH2 ARG 8 -13.618 -1.677 -3.810 88 HH21 ARG 8 1HH1 ARG 8 -12.386 -0.843 -0.574 89 HH22 ARG 8 2HH1 ARG 8 -13.805 -1.140 -1.504 90 H GLY 9 H GLY 9 -7.236 1.659 -1.439 91 HA2 GLY 9 2HA GLY 9 -6.474 4.478 -1.405 92 HA3 GLY 9 3HA GLY 9 -7.869 4.036 -0.391 93 HA PRO 10 HA PRO 10 -3.947 3.409 1.943 94 HB2 PRO 10 2HB PRO 10 -4.789 4.206 4.402 95 HB3 PRO 10 3HB PRO 10 -4.471 5.347 3.057 96 HG2 PRO 10 2HG PRO 10 -7.137 4.178 3.921 97 HG3 PRO 10 3HG PRO 10 -6.730 5.908 3.661 98 HD2 PRO 10 2HD PRO 10 -7.904 4.417 1.724 99 HD3 PRO 10 3HD PRO 10 -6.645 5.624 1.309 100 H GLY 11 H GLY 11 -6.187 1.299 1.604 101 HA2 GLY 11 2HA GLY 11 -6.294 -0.326 3.948 102 HA3 GLY 11 3HA GLY 11 -6.439 -0.913 2.283 103 H ARG 12 H ARG 12 -3.640 0.329 1.736 104 HA ARG 12 HA ARG 12 -1.888 -1.454 3.297 105 HB2 ARG 12 2HB ARG 12 -2.295 -1.405 0.315 106 HB3 ARG 12 3HB ARG 12 -0.620 -1.334 0.838 107 HG2 ARG 12 2HG ARG 12 -1.408 -3.612 0.340 108 HG3 ARG 12 3HG ARG 12 -0.766 -3.430 1.981 109 HD2 ARG 12 2HD ARG 12 -2.931 -3.534 2.958 110 HD3 ARG 12 3HD ARG 12 -3.737 -3.241 1.413 111 HE ARG 12 HE ARG 12 -3.578 -5.449 0.877 112 HH11 ARG 12 2HH2 ARG 12 -1.554 -4.853 3.705 113 HH12 ARG 12 1HH2 ARG 12 -1.312 -6.519 4.095 114 HH21 ARG 12 1HH1 ARG 12 -3.318 -7.695 1.398 115 HH22 ARG 12 2HH1 ARG 12 -2.353 -8.170 2.745 116 H ALA 13 H ALA 13 0.407 -0.623 3.039 117 HA ALA 13 HA ALA 13 1.036 1.870 1.843 118 HB1 ALA 13 1HB ALA 13 1.693 3.011 3.976 119 HB2 ALA 13 2HB ALA 13 -0.077 2.837 3.865 120 HB3 ALA 13 3HB ALA 13 0.872 1.736 4.901 121 H PHE 14 H PHE 14 3.439 1.662 1.547 122 HA PHE 14 HA PHE 14 4.820 0.238 3.666 123 HB2 PHE 14 2HB PHE 14 3.718 -1.247 1.476 124 HB3 PHE 14 3HB PHE 14 5.440 -1.295 1.278 125 HD1 PHE 14 1HD PHE 14 6.547 -1.327 3.961 126 HD2 PHE 14 2HD PHE 14 2.958 -3.209 2.520 127 HE1 PHE 14 1HE PHE 14 6.661 -2.972 5.821 128 HE2 PHE 14 2HE PHE 14 3.109 -4.892 4.340 129 HZ PHE 14 HZ PHE 14 4.968 -4.777 5.991 130 H VAL 15 H VAL 15 4.948 2.711 2.474 131 HA VAL 15 HA VAL 15 6.142 4.286 1.376 132 HB VAL 15 HB VAL 15 8.340 2.304 0.736 133 HG11 VAL 15 1HG1 VAL 15 9.719 4.370 0.654 134 HG12 VAL 15 2HG1 VAL 15 8.338 4.504 -0.445 135 HG13 VAL 15 3HG1 VAL 15 8.310 5.343 1.120 136 HG21 VAL 15 3HG2 VAL 15 9.569 3.246 2.741 137 HG22 VAL 15 1HG2 VAL 15 8.049 4.004 3.263 138 HG23 VAL 15 2HG2 VAL 15 8.197 2.235 3.187