*HEADER ANTIMICROBIAL PROTEIN 24-SEP-09 SMS20103 *TITLE STRUCTURAL STUDIES OF ANTIMICROBIAL PEPTIDE XT-7 AND ITS LYSINE4 *TITLE 2 ANALOGUE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ANTIMICROBIAL PEPTIDE 7; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: XT-7; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: XENOPUS TROPICALIS; *SOURCE 4 ORGANISM_COMMON: WESTERN CLAWED FROG; *SOURCE 5 ORGANISM_TAXID: 8364; *SOURCE 6 OTHER_DETAILS: PURCHASED FROM GL BIOCHEM (SHANGHAI) LTD (CHINA) *KEYWDS ANTIMICROBIAL PEPTIDE, MOLECULAR MODELLING, HELIX, ANTIMICROBIAL *KEYWDS 2 PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR A.P.SUBASINGHAGE, C.M.HEWAGE, M.J.CONLON # Number of dimensions 2 1 3.933 8.442 1 U 4.47e+005 0 e 0 64 62 2 4.357 8.030 1 U 2.46e+004 0 e 0 66 65 3 4.310 8.027 1 U 3.22e+005 0 e 0 74 73 4 4.360 8.074 1 U 1.07e+005 0 e 0 11 10 5 4.192 8.078 1 U 1.18e+005 0 e 0 50 49 6 4.333 7.794 1 U 8.61e+005 0 e 0 80 79 7 4.241 7.840 1 U 1.33e+005 0 e 0 53 52 8 3.978 8.444 1 U 7.03e+005 0 e 0 63 62 9 3.915 8.389 1 U 1.64e+005 0 e 0 58 57 10 3.875 7.660 1 U 7.63e+005 0 e 0 41 40 11 4.109 7.728 1 U 5.06e+005 0 e 0 35 34 12 4.139 7.817 1 U 1.56e+005 0 e 0 28 27 13 4.005 8.025 1 U 5.99e+005 0 e 0 67 65 14 4.427 8.346 1 U 1.52e+005 0 e 0 2 1 15 4.077 8.362 1 U 2.65e+005 0 e 0 47 46 16 4.237 7.457 1 U 6.78e+005 0 e 0 22 21 17 4.236 7.816 1 U 1.17e+005 0 e 0 22 27 18 4.356 8.149 1 U 1.38e+005 0 e 0 66 68 19 4.194 7.841 1 U 8.31e+004 0 e 0 50 52 20 4.367 7.462 1 U 1.56e+005 0 e 0 14 21 21 4.367 7.724 1 U 3.78e+004 0 e 0 14 34 22 4.236 7.661 1 U 3.42e+005 0 e 0 22 40 23 4.229 7.723 1 U 4.16e+004 0 e 0 22 34 24 4.109 7.661 1 U 2.55e+005 0 e 0 35 40 25 4.080 8.077 1 U 3.1e+005 0 e 0 47 49 26 4.087 7.840 1 U 4.22e+004 0 e 0 47 52 27 3.920 8.147 1 U 5.52e+004 0 e 0 58 68 28 3.878 8.078 1 U 2.07e+004 0 e 0 41 49 29 4.007 8.147 1 U 3.62e+005 0 e 0 67 68 30 4.076 8.442 1 U 2.59e+004 0 e 0 47 62 31 4.240 8.385 1 U 1.26e+005 0 e 0 53 57 32 4.239 8.446 1 U 1.21e+003 0 e 0 53 62 33 4.190 8.445 1 U 1.94e+005 0 e 0 50 62 34 4.140 8.362 1 U 1.03e+005 0 e 0 28 46 35 3.872 8.357 1 U 5.93e+004 0 e 0 41 46 36 4.469 8.074 1 U 1.35e+006 0 e 0 5 10 37 4.422 7.847 1 U 5.32e+006 0 e 0 2 4 38 4.239 8.024 1 U 1.32e+004 0 e 0 53 65 39 4.197 8.030 1 U 5.21e+004 0 e 0 50 65 40 7.462 7.814 1 U 4.25e+006 0 e 0 21 27 41 7.461 7.726 1 U 6.52e+004 0 e 0 21 34 42 7.665 8.080 1 U 4.16e+004 0 e 0 40 49 43 7.665 7.729 1 U 1.62e+006 0 e 0 40 34 44 7.796 8.030 1 U 4.52e+005 0 e 0 79 73 45 7.839 8.076 1 U 1.47e+006 0 e 0 4 10 46 8.022 8.148 1 U 4.32e+006 0 e 0 65 68 47 8.027 8.446 1 U 4.65e+005 0 e 0 65 62 48 8.028 8.389 1 U 3.2e+004 0 e 0 65 57 49 7.839 8.388 1 U 1.59e+006 0 e 0 52 57 50 7.839 8.446 1 U 9.64e+004 0 e 0 52 62 51 7.839 8.362 1 U 9.58e+004 0 e 0 52 46 52 8.075 8.361 1 U 1.42e+006 0 e 0 49 46 53 7.661 8.362 1 U 1.75e+006 0 e 0 40 46 54 7.722 8.362 1 U 1.52e+005 0 e 0 34 46 55 7.842 8.347 1 U 9.58e+004 0 e 0 4 1 56 8.387 8.445 1 U 1.06e+006 0 e 0 57 62 57 7.721 7.816 1 U 1.51e+005 0 e 0 34 27 58 8.077 8.389 1 U 3.68e+004 0 e 0 49 57 59 8.144 8.443 1 U 5.05e+003 0 e 0 68 62 60 7.791 8.148 1 U 3.03e+004 0 e 0 79 68 61 2.893 8.149 1 U 2.6e+006 0 e 0 72 68 62 2.892 8.028 1 U 1.93e+005 0 e 0 72 73 63 2.893 7.465 1 U 3.04e+004 0 e 0 72 70 64 2.893 6.790 1 U 4.5e+004 0 e 0 72 71 65 3.729 8.074 1 U 6.18e+004 0 e 0 17 10 66 3.681 8.074 1 U 3.81e+005 0 e 0 18 10 67 3.930 8.025 1 U 3.29e+005 0 e 0 64 65 68 3.971 8.027 1 U 8.43e+005 0 e 0 63 65 69 3.726 7.462 1 U 5.61e+004 0 e 0 17 21 70 3.679 7.463 1 U 2.4e+005 0 e 0 18 21 71 1.721 7.464 1 U 3.14e+005 0 e 0 24 21 72 1.791 7.463 1 U 2.01e+005 0 e 0 23 21 73 0.993 7.464 1 U 7.31e+004 0 e 0 25 21 74 0.920 7.462 1 U 6.33e+004 0 e 0 26 21 75 0.965 7.816 1 U 1.04e+005 0 e 0 32 27 76 0.904 7.816 1 U 2.23e+005 0 e 0 33 27 77 0.963 7.725 1 U 1.19e+004 0 e 0 32 34 78 0.901 7.727 1 U 1.14e+004 0 e 0 33 34 79 0.990 7.846 1 U 3.68e+005 0 e 0 8 4 80 0.938 7.846 1 U 2.5e+004 0 e 0 9 4 81 0.951 7.793 1 U 2.09e+005 0 e 0 83 79 82 0.901 7.794 1 U 1.35e+004 0 e 0 84 79 83 0.955 7.661 1 U 3.75e+005 0 e 0 45 40 84 0.893 7.661 1 U 2.28e+005 0 e 0 43 40 85 0.956 8.362 1 U 8.3e+005 0 e 0 45 46 86 0.898 8.362 1 U 6.17e+004 0 e 0 43 46 87 0.953 8.027 1 U 3.73e+005 0 e 0 77 73 88 0.904 8.029 1 U 7.63e+004 0 e 0 78 73 89 0.986 8.387 1 U 2.24e+005 0 e 0 61 57 90 1.055 8.387 1 U 1.81e+005 0 e 0 60 57 91 1.054 8.442 1 U 7.4e+004 0 e 0 60 62 92 0.985 8.443 1 U 2.66e+005 0 e 0 61 62 93 0.984 8.076 1 U 9.59e+004 0 e 0 8 10 94 1.493 8.362 1 U 1.28e+006 0 e 0 48 46 95 1.522 8.077 1 U 7.65e+005 0 e 0 51 49 96 1.490 8.078 1 U 2.12e+005 0 e 0 48 49 97 2.201 8.388 1 U 8.07e+005 0 e 0 59 57 98 2.202 8.444 1 U 5.43e+005 0 e 0 59 62 99 2.019 7.661 1 U 6.3e+005 0 e 0 42 40 100 1.949 7.725 1 U 1.62e+006 0 e 0 36 34 101 1.724 7.724 1 U 2.25e+005 0 e 0 37 34 102 1.613 7.724 1 U 6.56e+005 0 e 0 38 34 103 1.485 7.724 1 U 1.34e+005 0 e 0 39 34 104 1.490 7.661 1 U 1.78e+005 0 e 0 39 40 105 1.718 7.659 1 U 1.13e+006 0 e 0 37 40 106 1.948 7.660 1 U 7.9e+005 0 e 0 36 40 107 2.020 8.362 1 U 5.02e+005 0 e 0 42 46 108 2.082 7.843 1 U 1.18e+006 0 e 0 54 52 109 0.939 8.075 1 U 4.19e+004 0 e 0 9 10 110 2.083 8.386 1 U 2.29e+004 0 e 0 54 57 111 2.027 7.842 1 U 2.69e+006 0 e 0 55 52 112 1.848 7.816 1 U 8.59e+005 0 e 0 29 27 113 1.775 7.814 1 U 3.78e+005 0 e 0 30 27 114 1.629 7.815 1 U 1.11e+005 0 e 0 31 27 115 1.848 7.724 1 U 2.13e+005 0 e 0 29 34 116 1.695 7.846 1 U 1.88e+006 0 e 0 7 4 117 1.638 7.847 1 U 1.23e+006 0 e 0 6 4 118 1.637 7.790 1 U 9.86e+004 0 e 0 81 79 119 1.779 7.793 1 U 4.77e+005 0 e 0 82 79 120 1.522 7.841 1 U 7.82e+005 0 e 0 56 52 121 1.891 8.072 1 U 1.16e+006 0 e 0 12 10 122 1.633 8.353 1 U 6.51e+005 0 e 0 3 1 123 1.779 8.025 1 U 2.68e+006 0 e 0 76 73 124 1.607 8.074 1 U 1.34e+006 0 e 0 13 10 125 1.694 8.075 1 U 1.4e+005 0 e 0 7 10 126 0.922 4.235 1 U 1.5e+005 0 e 0 26 22 127 0.993 4.237 1 U 3.19e+003 0 e 0 25 22 128 0.965 4.139 1 U 4.18e+005 0 e 0 32 28 129 0.901 4.144 1 U 2.56e+005 0 e 0 33 28 130 1.056 4.076 1 U 3.16e+005 0 e 0 60 47 131 0.956 4.079 1 U 9.39e+004 0 e 0 45 47 132 0.901 4.315 1 U 1.1e+005 0 e 0 78 74 133 0.894 3.881 1 U 4.71e+004 0 e 0 43 41 134 0.954 3.872 1 U 1.48e+006 0 e 0 45 41 135 1.056 3.921 1 U 3.67e+006 0 e 0 60 58 136 0.984 3.914 1 U 4.69e+006 0 e 0 61 58 137 1.498 4.079 1 U 3.33e+006 0 e 0 48 47 138 1.495 4.144 1 U 3.81e+005 0 e 0 48 28 139 2.019 3.877 1 U 1.99e+005 0 e 0 42 41 140 2.017 4.229 1 U 3.84e+005 0 e 0 42 22 141 2.200 3.913 1 U 3.57e+004 0 e 0 59 58 142 2.201 4.077 1 U 1.37e+005 0 e 0 59 47 143 2.086 4.251 1 U 6.26e+004 0 e 0 54 53 144 2.025 4.255 1 U 8.87e+004 0 e 0 55 53 145 2.080 3.881 1 U 3.4e+005 0 e 0 54 41 146 4.140 7.730 1 U 4.54e+005 0 e 0 28 34 147 3.729 4.362 1 U 2.96e+004 0 e 0 17 14 148 2.892 3.911 1 U 7.28e+004 0 e 0 72 58 149 2.890 4.691 1 U 2.72e+004 0 e 0 72 69 150 2.106 3.683 1 U 8.39e+005 0 e 0 16 18 151 2.111 3.735 1 U 3.14e+006 0 e 0 16 17 152 2.034 3.734 1 U 3.82e+005 0 e 0 19 17 153 2.034 3.686 1 U 6.64e+005 0 e 0 19 18 154 1.897 3.730 1 U 8e+005 0 e 0 20 17 155 1.896 3.684 1 U 2e+006 0 e 0 20 18 156 1.528 4.194 1 U 1.96e+006 0 e 0 51 50 157 1.523 4.106 1 U 4.42e+005 0 e 0 51 35 158 1.716 4.233 1 U 3.31e+005 0 e 0 24 22 159 1.701 4.468 1 U 2.27e+005 0 e 0 7 5 160 1.638 4.424 1 U 2.7e+005 0 e 0 3 2 161 1.627 4.140 1 U 9.33e+005 0 e 0 31 28 162 1.192 3.880 1 U 6.2e+005 0 e 0 44 41 163 1.190 2.017 1 U 8.42e+005 0 e 0 44 42 164 0.893 2.021 1 U 2.11e+005 0 e 0 43 42 165 0.956 2.023 1 U 1.29e+006 0 e 0 45 42 166 1.902 2.103 1 U 4.5e+005 0 e 0 20 16 167 3.914 8.442 1 U 9.62e+004 0 e 0 58 62 168 4.306 7.795 1 U 7.44e+004 0 e 0 74 79 169 2.104 7.462 1 U 2.23e+005 0 e 0 16 21 170 2.031 7.462 1 U 8.54e+004 0 e 0 19 21 171 1.897 7.462 1 U 4.97e+004 0 e 0 20 21 172 4.237 8.365 1 U 8.28e+004 0 e 0 22 46 173 3.877 7.841 1 U 1.12e+005 0 e 0 41 52 174 4.366 7.813 1 U 2.78e+005 0 e 0 14 27 175 1.647 8.027 1 U 1.9e+006 0 e 0 75 73 176 1.190 7.660 1 U 1.16e+006 0 e 0 44 40 177 1.901 2.343 1 U 7.09e+006 0 e 0 20 15 178 4.468 7.845 1 U 1.11e+006 0 e 0 5 4 179 4.078 8.387 1 U 1.5e+005 0 e 0 47 57 180 1.949 4.115 1 U 3.51e+005 0 e 0 36 35 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 -1.794 -16.064 -8.092 2 HA2 GLY 1 HA2 GLY 1 -3.089 -17.350 -6.402 3 HA3 GLY 1 HA3 GLY 1 -1.592 -18.261 -6.079 4 H LEU 2 H LEU 2 0.433 -16.764 -5.550 5 HA LEU 2 HA LEU 2 -0.484 -14.585 -3.659 6 HB2 LEU 2 HB2 LEU 2 1.812 -16.600 -3.411 7 HB3 LEU 2 HB3 LEU 2 1.401 -15.347 -2.214 8 HG LEU 2 HG LEU 2 -0.458 -17.685 -3.017 9 HD11 LEU 2 HD11 LEU 2 0.173 -18.707 -0.822 10 HD12 LEU 2 HD12 LEU 2 1.344 -17.386 -0.535 11 HD13 LEU 2 HD13 LEU 2 1.596 -18.536 -1.880 12 HD21 LEU 2 HD21 LEU 2 -1.704 -17.069 -0.897 13 HD22 LEU 2 HD22 LEU 2 -1.773 -15.764 -2.094 14 HD23 LEU 2 HD23 LEU 2 -0.650 -15.642 -0.707 15 H LEU 3 H LEU 3 -0.234 -13.395 -5.909 16 HA LEU 3 HA LEU 3 2.343 -12.008 -5.558 17 HB2 LEU 3 HB2 LEU 3 2.926 -12.044 -7.942 18 HB3 LEU 3 HB3 LEU 3 3.089 -13.645 -7.210 19 HG LEU 3 HG LEU 3 0.430 -13.023 -8.588 20 HD11 LEU 3 HD11 LEU 3 1.358 -13.687 -10.820 21 HD12 LEU 3 HD12 LEU 3 3.012 -13.676 -10.137 22 HD13 LEU 3 HD13 LEU 3 2.068 -12.159 -10.240 23 HD21 LEU 3 HD21 LEU 3 2.188 -15.558 -8.506 24 HD22 LEU 3 HD22 LEU 3 0.546 -15.432 -9.194 25 HD23 LEU 3 HD23 LEU 3 0.792 -15.236 -7.440 26 H LYS 4 H LYS 4 0.145 -10.939 -4.644 27 HA LYS 4 HA LYS 4 -0.581 -8.880 -6.725 28 HB2 LYS 4 HB2 LYS 4 -2.366 -10.546 -4.899 29 HB3 LYS 4 HB3 LYS 4 -2.915 -8.998 -5.577 30 HG2 LYS 4 HG2 LYS 4 -1.897 -11.237 -7.404 31 HG3 LYS 4 HG3 LYS 4 -3.589 -11.138 -6.860 32 HD2 LYS 4 HD2 LYS 4 -3.943 -8.971 -7.914 33 HD3 LYS 4 HD3 LYS 4 -2.224 -8.783 -8.308 34 HE2 LYS 4 HE2 LYS 4 -3.456 -9.385 -10.312 35 HE3 LYS 4 HE3 LYS 4 -2.301 -10.677 -9.895 36 HZ1 LYS 4 HZ1 LYS 4 -4.130 -12.056 -9.036 37 HZ2 LYS 4 HZ2 LYS 4 -4.543 -11.507 -10.617 38 HZ3 LYS 4 HZ3 LYS 4 -5.270 -10.742 -9.235 39 HA PRO 5 HA PRO 5 0.821 -7.093 -2.638 40 HB2 PRO 5 HB2 PRO 5 2.927 -5.557 -3.490 41 HB3 PRO 5 HB3 PRO 5 3.081 -7.335 -3.359 42 HG2 PRO 5 HG2 PRO 5 2.383 -5.779 -5.901 43 HG3 PRO 5 HG3 PRO 5 3.757 -6.905 -5.685 44 HD2 PRO 5 HD2 PRO 5 1.401 -7.765 -6.765 45 HD3 PRO 5 HD3 PRO 5 2.246 -8.834 -5.582 46 H LEU 6 H LEU 6 -1.518 -6.277 -3.155 47 HA LEU 6 HA LEU 6 -1.812 -3.874 -4.716 48 HB2 LEU 6 HB2 LEU 6 -3.505 -5.035 -2.435 49 HB3 LEU 6 HB3 LEU 6 -3.817 -3.418 -3.101 50 HG LEU 6 HG LEU 6 -4.193 -4.295 -5.367 51 HD11 LEU 6 HD11 LEU 6 -2.737 -6.320 -5.386 52 HD12 LEU 6 HD12 LEU 6 -4.413 -6.771 -5.767 53 HD13 LEU 6 HD13 LEU 6 -3.768 -7.081 -4.129 54 HD21 LEU 6 HD21 LEU 6 -6.121 -4.082 -3.785 55 HD22 LEU 6 HD22 LEU 6 -5.868 -5.764 -3.231 56 HD23 LEU 6 HD23 LEU 6 -6.366 -5.439 -4.916 57 H LEU 7 H LEU 7 -0.650 -4.521 -1.324 58 HA LEU 7 HA LEU 7 -0.979 -2.038 -0.258 59 HB2 LEU 7 HB2 LEU 7 0.181 -3.880 0.952 60 HB3 LEU 7 HB3 LEU 7 1.574 -3.750 -0.147 61 HG LEU 7 HG LEU 7 2.074 -1.446 0.731 62 HD11 LEU 7 HD11 LEU 7 -0.290 -1.984 2.644 63 HD12 LEU 7 HD12 LEU 7 -0.169 -0.652 1.457 64 HD13 LEU 7 HD13 LEU 7 0.906 -0.679 2.865 65 HD21 LEU 7 HD21 LEU 7 3.164 -3.450 1.755 66 HD22 LEU 7 HD22 LEU 7 1.820 -3.595 2.927 67 HD23 LEU 7 HD23 LEU 7 2.902 -2.172 2.972 68 H LYS 8 H LYS 8 1.717 -2.969 -2.587 69 HA LYS 8 HA LYS 8 2.834 -0.333 -2.623 70 HB2 LYS 8 HB2 LYS 8 2.854 -2.574 -4.737 71 HB3 LYS 8 HB3 LYS 8 3.573 -0.975 -5.047 72 HG2 LYS 8 HG2 LYS 8 5.076 -1.171 -3.119 73 HG3 LYS 8 HG3 LYS 8 4.431 -2.786 -2.720 74 HD2 LYS 8 HD2 LYS 8 5.224 -3.701 -4.862 75 HD3 LYS 8 HD3 LYS 8 5.727 -2.099 -5.453 76 HE2 LYS 8 HE2 LYS 8 6.980 -3.478 -3.005 77 HE3 LYS 8 HE3 LYS 8 7.627 -3.575 -4.663 78 HZ1 LYS 8 HZ1 LYS 8 7.869 -1.094 -4.693 79 HZ2 LYS 8 HZ2 LYS 8 8.841 -1.872 -3.490 80 HZ3 LYS 8 HZ3 LYS 8 7.415 -1.034 -3.011 81 H ILE 9 H ILE 9 0.214 -1.853 -4.689 82 HA ILE 9 HA ILE 9 0.177 0.411 -6.461 83 HB ILE 9 HB ILE 9 -1.984 -1.690 -5.933 84 HG12 ILE 9 HG11 ILE 9 -0.039 -1.381 -8.314 85 HG13 ILE 9 HG12 ILE 9 0.275 -2.457 -6.938 86 HG21 ILE 9 HG21 ILE 9 -3.072 -0.856 -8.040 87 HG22 ILE 9 HG22 ILE 9 -3.024 0.413 -6.813 88 HG23 ILE 9 HG23 ILE 9 -1.848 0.440 -8.155 89 HD11 ILE 9 HD11 ILE 9 -1.852 -3.733 -7.432 90 HD12 ILE 9 HD12 ILE 9 -2.051 -2.767 -8.927 91 HD13 ILE 9 HD13 ILE 9 -0.626 -3.809 -8.728 92 H ALA 10 H ALA 10 -2.103 -0.514 -3.734 93 HA ALA 10 HA ALA 10 -3.595 1.853 -3.813 94 HB1 ALA 10 HB1 ALA 10 -4.218 -0.071 -2.346 95 HB2 ALA 10 HB2 ALA 10 -2.788 0.219 -1.316 96 HB3 ALA 10 HB3 ALA 10 -4.102 1.431 -1.384 97 H ALA 11 H ALA 11 -0.500 1.179 -1.941 98 HA ALA 11 HA ALA 11 -0.429 3.743 -0.721 99 HB1 ALA 11 HB1 ALA 11 1.961 1.978 -1.550 100 HB2 ALA 11 HB2 ALA 11 2.022 3.354 -0.409 101 HB3 ALA 11 HB3 ALA 11 1.082 1.893 0.009 102 H LYS 12 H LYS 12 0.761 2.607 -3.983 103 HA LYS 12 HA LYS 12 2.332 4.863 -4.504 104 HB2 LYS 12 HB2 LYS 12 2.256 2.794 -5.991 105 HB3 LYS 12 HB3 LYS 12 0.644 3.295 -6.549 106 HG2 LYS 12 HG2 LYS 12 2.226 3.917 -8.248 107 HG3 LYS 12 HG3 LYS 12 1.676 5.432 -7.493 108 HD2 LYS 12 HD2 LYS 12 3.829 5.545 -6.176 109 HD3 LYS 12 HD3 LYS 12 4.307 3.948 -6.817 110 HE2 LYS 12 HE2 LYS 12 4.326 4.927 -9.152 111 HE3 LYS 12 HE3 LYS 12 3.873 6.513 -8.468 112 HZ1 LYS 12 HZ1 LYS 12 6.299 6.359 -8.851 113 HZ2 LYS 12 HZ2 LYS 12 6.408 4.956 -7.830 114 HZ3 LYS 12 HZ3 LYS 12 5.979 6.504 -7.148 115 H VAL 13 H VAL 13 -1.241 4.304 -5.075 116 HA VAL 13 HA VAL 13 -1.496 7.004 -6.212 117 HB VAL 13 HB VAL 13 -3.625 4.922 -5.480 118 HG11 VAL 13 HG11 VAL 13 -4.592 7.225 -5.348 119 HG12 VAL 13 HG12 VAL 13 -3.897 7.621 -6.948 120 HG13 VAL 13 HG13 VAL 13 -5.182 6.388 -6.803 121 HG21 VAL 13 HG21 VAL 13 -2.128 4.244 -7.390 122 HG22 VAL 13 HG22 VAL 13 -3.782 4.605 -7.945 123 HG23 VAL 13 HG23 VAL 13 -2.475 5.793 -8.208 124 H GLY 14 H GLY 14 -2.863 5.340 -3.212 125 HA2 GLY 14 HA2 GLY 14 -4.015 7.627 -2.149 126 HA3 GLY 14 HA3 GLY 14 -3.390 6.294 -1.145 127 H SER 15 H SER 15 -0.662 6.321 -1.415 128 HA SER 15 HA SER 15 0.017 8.991 -0.217 129 HB2 SER 15 HB2 SER 15 1.497 6.318 -0.035 130 HB3 SER 15 HB3 SER 15 1.882 7.828 0.850 131 HG SER 15 HG SER 15 0.487 6.368 2.124 132 H ASN 16 H ASN 16 -0.272 9.081 -3.043 133 HA ASN 16 HA ASN 16 2.276 8.694 -4.312 134 HB2 ASN 16 HB2 ASN 16 1.560 10.303 -6.013 135 HB3 ASN 16 HB3 ASN 16 0.223 9.190 -5.670 136 HD21 ASN 16 HD21 ASN 16 -1.788 10.121 -4.691 137 HD22 ASN 16 HD22 ASN 16 -1.935 11.821 -4.468 138 H LEU 17 H LEU 17 0.778 11.404 -2.384 139 HA LEU 17 HA LEU 17 2.818 13.253 -2.805 140 HB2 LEU 17 HB2 LEU 17 2.095 14.408 -0.774 141 HB3 LEU 17 HB3 LEU 17 0.722 13.805 -1.716 142 HG LEU 17 HG LEU 17 0.853 11.714 0.012 143 HD11 LEU 17 HD11 LEU 17 2.039 14.005 1.715 144 HD12 LEU 17 HD12 LEU 17 2.951 12.563 1.217 145 HD13 LEU 17 HD13 LEU 17 1.549 12.389 2.293 146 HD21 LEU 17 HD21 LEU 17 -0.322 14.455 0.759 147 HD22 LEU 17 HD22 LEU 17 -0.790 12.891 1.492 148 HD23 LEU 17 HD23 LEU 17 -1.120 13.196 -0.231 149 H LEU 18 H1 LEU 18 2.850 10.378 -0.579 150 HA LEU 18 HA LEU 18 4.604 9.545 0.688 151 HB2 LEU 18 HB2 LEU 18 5.260 9.308 -1.755 152 HB3 LEU 18 HB3 LEU 18 6.283 10.754 -1.589 153 HG LEU 18 HG LEU 18 6.586 8.115 -0.006 154 HD11 LEU 18 HD11 LEU 18 8.302 9.282 -2.288 155 HD12 LEU 18 HD12 LEU 18 7.183 7.895 -2.428 156 HD13 LEU 18 HD13 LEU 18 8.629 7.768 -1.394 157 HD21 LEU 18 HD21 LEU 18 8.321 10.668 0.017 158 HD22 LEU 18 HD22 LEU 18 8.857 9.100 0.680 159 HD23 LEU 18 HD23 LEU 18 7.478 9.929 1.414 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 1.114 -19.813 -7.663 2 HA2 GLY 1 HA2 GLY 1 -0.565 -17.985 -7.345 3 HA3 GLY 1 HA3 GLY 1 -0.693 -19.221 -6.051 4 H LEU 2 H LEU 2 -1.679 -16.877 -5.228 5 HA LEU 2 HA LEU 2 -1.432 -15.192 -3.639 6 HB2 LEU 2 HB2 LEU 2 0.971 -16.843 -2.693 7 HB3 LEU 2 HB3 LEU 2 -0.029 -15.728 -1.735 8 HG LEU 2 HG LEU 2 -0.936 -18.417 -2.970 9 HD11 LEU 2 HD11 LEU 2 0.637 -18.678 -1.035 10 HD12 LEU 2 HD12 LEU 2 -1.006 -19.227 -0.613 11 HD13 LEU 2 HD13 LEU 2 -0.419 -17.642 -0.031 12 HD21 LEU 2 HD21 LEU 2 -3.024 -18.103 -1.566 13 HD22 LEU 2 HD22 LEU 2 -2.904 -16.898 -2.863 14 HD23 LEU 2 HD23 LEU 2 -2.495 -16.440 -1.181 15 H LEU 3 H LEU 3 -0.872 -13.805 -5.592 16 HA LEU 3 HA LEU 3 1.648 -12.431 -4.921 17 HB2 LEU 3 HB2 LEU 3 2.500 -12.402 -7.195 18 HB3 LEU 3 HB3 LEU 3 2.517 -14.051 -6.546 19 HG LEU 3 HG LEU 3 0.171 -13.148 -8.324 20 HD11 LEU 3 HD11 LEU 3 2.890 -14.195 -9.322 21 HD12 LEU 3 HD12 LEU 3 2.221 -12.560 -9.607 22 HD13 LEU 3 HD13 LEU 3 1.426 -13.981 -10.327 23 HD21 LEU 3 HD21 LEU 3 -0.083 -15.367 -7.198 24 HD22 LEU 3 HD22 LEU 3 1.492 -15.897 -7.852 25 HD23 LEU 3 HD23 LEU 3 0.118 -15.573 -8.944 26 H LYS 4 H LYS 4 -0.656 -11.390 -4.202 27 HA LYS 4 HA LYS 4 -1.318 -9.360 -6.353 28 HB2 LYS 4 HB2 LYS 4 -2.923 -10.389 -3.972 29 HB3 LYS 4 HB3 LYS 4 -3.282 -8.876 -4.840 30 HG2 LYS 4 HG2 LYS 4 -4.720 -10.672 -5.651 31 HG3 LYS 4 HG3 LYS 4 -3.672 -10.067 -6.958 32 HD2 LYS 4 HD2 LYS 4 -2.214 -12.045 -6.781 33 HD3 LYS 4 HD3 LYS 4 -3.086 -12.617 -5.321 34 HE2 LYS 4 HE2 LYS 4 -5.147 -12.937 -6.722 35 HE3 LYS 4 HE3 LYS 4 -4.275 -12.320 -8.154 36 HZ1 LYS 4 HZ1 LYS 4 -4.314 -14.783 -8.119 37 HZ2 LYS 4 HZ2 LYS 4 -3.526 -14.808 -6.569 38 HZ3 LYS 4 HZ3 LYS 4 -2.680 -14.211 -7.970 39 HA PRO 5 HA PRO 5 1.057 -7.251 -2.836 40 HB2 PRO 5 HB2 PRO 5 2.877 -5.820 -4.317 41 HB3 PRO 5 HB3 PRO 5 3.085 -7.579 -4.053 42 HG2 PRO 5 HG2 PRO 5 1.766 -6.259 -6.483 43 HG3 PRO 5 HG3 PRO 5 3.172 -7.371 -6.504 44 HD2 PRO 5 HD2 PRO 5 0.650 -8.325 -6.902 45 HD3 PRO 5 HD3 PRO 5 1.770 -9.259 -5.831 46 H LEU 6 H LEU 6 -1.338 -6.515 -2.883 47 HA LEU 6 HA LEU 6 -2.043 -4.363 -4.694 48 HB2 LEU 6 HB2 LEU 6 -3.580 -6.100 -3.410 49 HB3 LEU 6 HB3 LEU 6 -3.514 -4.930 -2.071 50 HG LEU 6 HG LEU 6 -4.559 -4.486 -4.957 51 HD11 LEU 6 HD11 LEU 6 -6.078 -4.608 -2.278 52 HD12 LEU 6 HD12 LEU 6 -6.042 -5.909 -3.505 53 HD13 LEU 6 HD13 LEU 6 -6.805 -4.346 -3.889 54 HD21 LEU 6 HD21 LEU 6 -3.696 -2.322 -4.230 55 HD22 LEU 6 HD22 LEU 6 -4.423 -2.508 -2.599 56 HD23 LEU 6 HD23 LEU 6 -5.455 -2.265 -4.042 57 H LEU 7 H LEU 7 -0.983 -4.640 -1.195 58 HA LEU 7 HA LEU 7 -1.220 -2.102 -0.340 59 HB2 LEU 7 HB2 LEU 7 -0.077 -3.907 0.987 60 HB3 LEU 7 HB3 LEU 7 1.320 -3.827 -0.108 61 HG LEU 7 HG LEU 7 1.750 -1.431 0.678 62 HD11 LEU 7 HD11 LEU 7 0.633 -0.682 2.819 63 HD12 LEU 7 HD12 LEU 7 -0.477 -2.075 2.719 64 HD13 LEU 7 HD13 LEU 7 -0.531 -0.783 1.485 65 HD21 LEU 7 HD21 LEU 7 2.995 -3.343 1.662 66 HD22 LEU 7 HD22 LEU 7 1.707 -3.583 2.879 67 HD23 LEU 7 HD23 LEU 7 2.694 -2.090 2.891 68 H LYS 8 H LYS 8 1.469 -3.204 -2.572 69 HA LYS 8 HA LYS 8 2.795 -0.654 -2.541 70 HB2 LYS 8 HB2 LYS 8 2.790 -2.943 -4.596 71 HB3 LYS 8 HB3 LYS 8 3.615 -1.405 -4.922 72 HG2 LYS 8 HG2 LYS 8 5.218 -3.035 -4.079 73 HG3 LYS 8 HG3 LYS 8 5.094 -1.632 -2.988 74 HD2 LYS 8 HD2 LYS 8 3.729 -2.951 -1.378 75 HD3 LYS 8 HD3 LYS 8 3.703 -4.340 -2.502 76 HE2 LYS 8 HE2 LYS 8 6.208 -4.518 -2.341 77 HE3 LYS 8 HE3 LYS 8 6.231 -3.139 -1.207 78 HZ1 LYS 8 HZ1 LYS 8 4.824 -5.792 -0.736 79 HZ2 LYS 8 HZ2 LYS 8 4.876 -4.450 0.381 80 HZ3 LYS 8 HZ3 LYS 8 6.337 -5.296 -0.030 81 H ILE 9 H ILE 9 0.235 -2.058 -4.734 82 HA ILE 9 HA ILE 9 0.324 0.191 -6.511 83 HB ILE 9 HB ILE 9 -1.899 -1.849 -6.001 84 HG12 ILE 9 HG11 ILE 9 0.035 -1.557 -8.390 85 HG13 ILE 9 HG12 ILE 9 0.362 -2.625 -7.009 86 HG21 ILE 9 HG21 ILE 9 -1.728 0.307 -8.200 87 HG22 ILE 9 HG22 ILE 9 -2.960 -0.984 -8.118 88 HG23 ILE 9 HG23 ILE 9 -2.917 0.262 -6.866 89 HD11 ILE 9 HD11 ILE 9 -1.995 -2.943 -8.961 90 HD12 ILE 9 HD12 ILE 9 -0.566 -3.983 -8.787 91 HD13 ILE 9 HD13 ILE 9 -1.766 -3.902 -7.468 92 H ALA 10 H ALA 10 -1.920 -0.588 -3.716 93 HA ALA 10 HA ALA 10 -3.396 1.815 -3.938 94 HB1 ALA 10 HB1 ALA 10 -4.131 -0.010 -2.420 95 HB2 ALA 10 HB2 ALA 10 -2.692 0.223 -1.384 96 HB3 ALA 10 HB3 ALA 10 -3.937 1.505 -1.495 97 H ALA 11 H ALA 11 -0.330 1.084 -2.076 98 HA ALA 11 HA ALA 11 -0.168 3.548 -0.758 99 HB1 ALA 11 HB1 ALA 11 1.419 1.685 -0.265 100 HB2 ALA 11 HB2 ALA 11 2.183 1.887 -1.870 101 HB3 ALA 11 HB3 ALA 11 2.308 3.186 -0.651 102 H LYS 12 H LYS 12 0.978 2.679 -4.140 103 HA LYS 12 HA LYS 12 2.336 5.064 -4.644 104 HB2 LYS 12 HB2 LYS 12 2.197 3.134 -6.262 105 HB3 LYS 12 HB3 LYS 12 0.514 3.599 -6.655 106 HG2 LYS 12 HG2 LYS 12 1.450 5.922 -7.336 107 HG3 LYS 12 HG3 LYS 12 3.076 5.220 -7.175 108 HD2 LYS 12 HD2 LYS 12 0.836 4.373 -9.141 109 HD3 LYS 12 HD3 LYS 12 2.314 5.288 -9.503 110 HE2 LYS 12 HE2 LYS 12 3.010 3.203 -10.235 111 HE3 LYS 12 HE3 LYS 12 3.553 3.080 -8.548 112 HZ1 LYS 12 HZ1 LYS 12 2.377 1.055 -9.311 113 HZ2 LYS 12 HZ2 LYS 12 0.970 1.974 -9.745 114 HZ3 LYS 12 HZ3 LYS 12 1.418 1.790 -8.082 115 H VAL 13 H VAL 13 -1.243 4.387 -5.058 116 HA VAL 13 HA VAL 13 -1.638 7.082 -6.099 117 HB VAL 13 HB VAL 13 -3.685 4.953 -5.258 118 HG11 VAL 13 HG11 VAL 13 -4.697 7.233 -5.117 119 HG12 VAL 13 HG12 VAL 13 -4.068 7.623 -6.744 120 HG13 VAL 13 HG13 VAL 13 -5.326 6.372 -6.542 121 HG21 VAL 13 HG21 VAL 13 -2.677 5.829 -8.044 122 HG22 VAL 13 HG22 VAL 13 -2.264 4.286 -7.245 123 HG23 VAL 13 HG23 VAL 13 -3.948 4.615 -7.719 124 H GLY 14 H GLY 14 -2.683 5.380 -3.006 125 HA2 GLY 14 HA2 GLY 14 -3.896 7.615 -1.870 126 HA3 GLY 14 HA3 GLY 14 -3.126 6.320 -0.917 127 H SER 15 H SER 15 -0.350 6.745 -1.876 128 HA SER 15 HA SER 15 0.506 8.451 0.127 129 HB2 SER 15 HB2 SER 15 2.126 6.999 -1.050 130 HB3 SER 15 HB3 SER 15 1.893 7.907 -2.572 131 HG SER 15 HG SER 15 3.016 9.033 -0.179 132 H ASN 16 H ASN 16 -0.101 9.340 -3.379 133 HA ASN 16 HA ASN 16 0.218 12.228 -2.566 134 HB2 ASN 16 HB2 ASN 16 1.778 11.016 -4.299 135 HB3 ASN 16 HB3 ASN 16 0.369 11.030 -5.385 136 HD21 ASN 16 HD21 ASN 16 2.453 13.218 -3.263 137 HD22 ASN 16 HD22 ASN 16 2.313 14.586 -4.303 138 H LEU 17 H LEU 17 -1.248 13.255 -4.905 139 HA LEU 17 HA LEU 17 -4.011 12.287 -4.220 140 HB2 LEU 17 HB2 LEU 17 -4.831 14.475 -4.855 141 HB3 LEU 17 HB3 LEU 17 -3.775 14.581 -3.442 142 HG LEU 17 HG LEU 17 -2.401 15.053 -6.110 143 HD11 LEU 17 HD11 LEU 17 -3.196 17.415 -6.276 144 HD12 LEU 17 HD12 LEU 17 -4.378 17.112 -4.969 145 HD13 LEU 17 HD13 LEU 17 -4.525 16.256 -6.533 146 HD21 LEU 17 HD21 LEU 17 -1.213 15.326 -3.832 147 HD22 LEU 17 HD22 LEU 17 -2.333 16.661 -3.473 148 HD23 LEU 17 HD23 LEU 17 -1.194 16.793 -4.841 149 H LEU 18 H1 LEU 18 -2.551 10.712 -5.945 150 HA LEU 18 HA LEU 18 -2.523 9.933 -8.120 151 HB2 LEU 18 HB2 LEU 18 -4.971 9.888 -7.251 152 HB3 LEU 18 HB3 LEU 18 -5.283 11.268 -8.322 153 HG LEU 18 HG LEU 18 -4.219 8.495 -9.210 154 HD11 LEU 18 HD11 LEU 18 -6.502 8.143 -10.157 155 HD12 LEU 18 HD12 LEU 18 -7.030 9.722 -9.506 156 HD13 LEU 18 HD13 LEU 18 -6.580 8.393 -8.395 157 HD21 LEU 18 HD21 LEU 18 -3.448 10.215 -10.817 158 HD22 LEU 18 HD22 LEU 18 -5.085 10.940 -10.887 159 HD23 LEU 18 HD23 LEU 18 -4.785 9.306 -11.548 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -0.844 -18.440 -8.617 2 HA2 GLY 1 HA2 GLY 1 -2.561 -18.747 -6.828 3 HA3 GLY 1 HA3 GLY 1 -0.952 -19.285 -6.265 4 H LEU 2 H LEU 2 0.520 -17.276 -5.469 5 HA LEU 2 HA LEU 2 -1.212 -15.422 -3.854 6 HB2 LEU 2 HB2 LEU 2 -0.497 -17.463 -2.549 7 HB3 LEU 2 HB3 LEU 2 1.195 -17.096 -2.947 8 HG LEU 2 HG LEU 2 0.964 -14.886 -1.672 9 HD11 LEU 2 HD11 LEU 2 -1.499 -14.503 -1.740 10 HD12 LEU 2 HD12 LEU 2 -0.983 -14.675 -0.054 11 HD13 LEU 2 HD13 LEU 2 -1.787 -16.041 -0.873 12 HD21 LEU 2 HD21 LEU 2 1.054 -15.946 0.593 13 HD22 LEU 2 HD22 LEU 2 1.955 -16.918 -0.596 14 HD23 LEU 2 HD23 LEU 2 0.329 -17.441 -0.067 15 H LEU 3 H LEU 3 -0.671 -13.909 -5.687 16 HA LEU 3 HA LEU 3 1.840 -12.511 -5.006 17 HB2 LEU 3 HB2 LEU 3 2.580 -12.332 -7.334 18 HB3 LEU 3 HB3 LEU 3 2.732 -13.988 -6.728 19 HG LEU 3 HG LEU 3 0.217 -13.252 -8.327 20 HD11 LEU 3 HD11 LEU 3 2.947 -13.943 -9.568 21 HD12 LEU 3 HD12 LEU 3 2.081 -12.386 -9.726 22 HD13 LEU 3 HD13 LEU 3 1.396 -13.860 -10.453 23 HD21 LEU 3 HD21 LEU 3 0.330 -15.522 -7.263 24 HD22 LEU 3 HD22 LEU 3 1.860 -15.854 -8.119 25 HD23 LEU 3 HD23 LEU 3 0.343 -15.634 -9.035 26 H LYS 4 H LYS 4 -0.287 -11.442 -4.107 27 HA LYS 4 HA LYS 4 -1.236 -9.480 -6.205 28 HB2 LYS 4 HB2 LYS 4 -2.653 -10.606 -3.760 29 HB3 LYS 4 HB3 LYS 4 -3.350 -9.399 -4.865 30 HG2 LYS 4 HG2 LYS 4 -2.460 -12.129 -5.970 31 HG3 LYS 4 HG3 LYS 4 -3.967 -12.002 -5.045 32 HD2 LYS 4 HD2 LYS 4 -4.455 -11.917 -7.409 33 HD3 LYS 4 HD3 LYS 4 -4.932 -10.388 -6.632 34 HE2 LYS 4 HE2 LYS 4 -3.032 -9.208 -7.632 35 HE3 LYS 4 HE3 LYS 4 -2.291 -10.747 -8.183 36 HZ1 LYS 4 HZ1 LYS 4 -4.182 -11.074 -9.726 37 HZ2 LYS 4 HZ2 LYS 4 -3.426 -9.538 -10.009 38 HZ3 LYS 4 HZ3 LYS 4 -4.938 -9.611 -9.145 39 HA PRO 5 HA PRO 5 0.868 -7.281 -2.616 40 HB2 PRO 5 HB2 PRO 5 2.841 -5.919 -3.948 41 HB3 PRO 5 HB3 PRO 5 2.988 -7.677 -3.644 42 HG2 PRO 5 HG2 PRO 5 1.901 -6.387 -6.202 43 HG3 PRO 5 HG3 PRO 5 3.294 -7.507 -6.086 44 HD2 PRO 5 HD2 PRO 5 0.796 -8.455 -6.669 45 HD3 PRO 5 HD3 PRO 5 1.826 -9.378 -5.505 46 H LEU 6 H LEU 6 -1.568 -6.549 -3.025 47 HA LEU 6 HA LEU 6 -2.047 -4.351 -4.765 48 HB2 LEU 6 HB2 LEU 6 -3.897 -5.669 -3.686 49 HB3 LEU 6 HB3 LEU 6 -3.372 -5.089 -2.086 50 HG LEU 6 HG LEU 6 -3.954 -2.718 -2.770 51 HD11 LEU 6 HD11 LEU 6 -5.430 -2.379 -4.791 52 HD12 LEU 6 HD12 LEU 6 -5.138 -4.072 -5.283 53 HD13 LEU 6 HD13 LEU 6 -3.801 -2.889 -5.269 54 HD21 LEU 6 HD21 LEU 6 -6.254 -4.754 -2.989 55 HD22 LEU 6 HD22 LEU 6 -6.427 -3.021 -2.587 56 HD23 LEU 6 HD23 LEU 6 -5.565 -4.109 -1.470 57 H LEU 7 H LEU 7 -0.865 -4.594 -1.328 58 HA LEU 7 HA LEU 7 -1.120 -2.040 -0.507 59 HB2 LEU 7 HB2 LEU 7 -0.046 -3.768 0.898 60 HB3 LEU 7 HB3 LEU 7 1.362 -3.823 -0.190 61 HG LEU 7 HG LEU 7 1.997 -1.487 0.466 62 HD11 LEU 7 HD11 LEU 7 -0.222 -0.488 1.032 63 HD12 LEU 7 HD12 LEU 7 0.844 -0.398 2.446 64 HD13 LEU 7 HD13 LEU 7 -0.427 -1.652 2.374 65 HD21 LEU 7 HD21 LEU 7 1.548 -3.349 2.880 66 HD22 LEU 7 HD22 LEU 7 2.730 -2.013 2.791 67 HD23 LEU 7 HD23 LEU 7 2.919 -3.437 1.737 68 H LYS 8 H LYS 8 1.626 -3.166 -2.693 69 HA LYS 8 HA LYS 8 2.896 -0.656 -2.762 70 HB2 LYS 8 HB2 LYS 8 2.708 -2.936 -4.790 71 HB3 LYS 8 HB3 LYS 8 3.358 -1.401 -5.372 72 HG2 LYS 8 HG2 LYS 8 4.520 -2.745 -2.872 73 HG3 LYS 8 HG3 LYS 8 5.090 -3.105 -4.524 74 HD2 LYS 8 HD2 LYS 8 5.655 -0.708 -4.922 75 HD3 LYS 8 HD3 LYS 8 5.132 -0.278 -3.276 76 HE2 LYS 8 HE2 LYS 8 6.889 -1.773 -2.312 77 HE3 LYS 8 HE3 LYS 8 7.420 -2.218 -3.959 78 HZ1 LYS 8 HZ1 LYS 8 7.977 0.152 -4.405 79 HZ2 LYS 8 HZ2 LYS 8 8.840 -0.442 -3.019 80 HZ3 LYS 8 HZ3 LYS 8 7.460 0.593 -2.799 81 H ILE 9 H ILE 9 0.144 -1.821 -4.852 82 HA ILE 9 HA ILE 9 0.234 0.621 -6.407 83 HB ILE 9 HB ILE 9 -2.126 -1.303 -6.107 84 HG12 ILE 9 HG11 ILE 9 -0.322 -2.678 -6.961 85 HG13 ILE 9 HG12 ILE 9 -1.396 -2.279 -8.304 86 HG21 ILE 9 HG21 ILE 9 -1.544 0.868 -8.211 87 HG22 ILE 9 HG22 ILE 9 -2.870 -0.324 -8.307 88 HG23 ILE 9 HG23 ILE 9 -2.844 0.874 -6.996 89 HD11 ILE 9 HD11 ILE 9 0.942 -2.137 -9.041 90 HD12 ILE 9 HD12 ILE 9 0.273 -0.487 -9.052 91 HD13 ILE 9 HD13 ILE 9 1.364 -1.012 -7.731 92 H ALA 10 H ALA 10 -2.007 -0.526 -3.729 93 HA ALA 10 HA ALA 10 -3.530 1.839 -3.676 94 HB1 ALA 10 HB1 ALA 10 -2.747 0.037 -1.293 95 HB2 ALA 10 HB2 ALA 10 -4.053 1.259 -1.281 96 HB3 ALA 10 HB3 ALA 10 -4.174 -0.167 -2.351 97 H ALA 11 H ALA 11 -0.430 1.045 -1.914 98 HA ALA 11 HA ALA 11 -0.328 3.483 -0.462 99 HB1 ALA 11 HB1 ALA 11 2.033 1.784 -1.504 100 HB2 ALA 11 HB2 ALA 11 2.136 3.059 -0.256 101 HB3 ALA 11 HB3 ALA 11 1.199 1.572 0.064 102 H LYS 12 H LYS 12 0.947 2.599 -3.785 103 HA LYS 12 HA LYS 12 2.375 5.002 -4.146 104 HB2 LYS 12 HB2 LYS 12 2.620 3.069 -5.618 105 HB3 LYS 12 HB3 LYS 12 0.983 3.261 -6.280 106 HG2 LYS 12 HG2 LYS 12 3.131 5.463 -6.529 107 HG3 LYS 12 HG3 LYS 12 2.995 4.118 -7.689 108 HD2 LYS 12 HD2 LYS 12 0.643 4.774 -8.245 109 HD3 LYS 12 HD3 LYS 12 0.784 6.198 -7.183 110 HE2 LYS 12 HE2 LYS 12 2.695 7.060 -8.527 111 HE3 LYS 12 HE3 LYS 12 2.553 5.661 -9.629 112 HZ1 LYS 12 HZ1 LYS 12 0.391 7.737 -9.125 113 HZ2 LYS 12 HZ2 LYS 12 0.253 6.371 -10.200 114 HZ3 LYS 12 HZ3 LYS 12 1.401 7.635 -10.537 115 H VAL 13 H VAL 13 -1.085 4.227 -5.103 116 HA VAL 13 HA VAL 13 -1.414 6.918 -6.149 117 HB VAL 13 HB VAL 13 -3.512 4.786 -5.474 118 HG11 VAL 13 HG11 VAL 13 -5.052 6.194 -6.901 119 HG12 VAL 13 HG12 VAL 13 -4.566 7.043 -5.416 120 HG13 VAL 13 HG13 VAL 13 -3.803 7.470 -6.975 121 HG21 VAL 13 HG21 VAL 13 -1.933 4.128 -7.342 122 HG22 VAL 13 HG22 VAL 13 -3.567 4.456 -7.961 123 HG23 VAL 13 HG23 VAL 13 -2.275 5.673 -8.168 124 H GLY 14 H GLY 14 -2.548 5.248 -3.084 125 HA2 GLY 14 HA2 GLY 14 -3.934 7.413 -2.016 126 HA3 GLY 14 HA3 GLY 14 -3.037 6.238 -1.016 127 H SER 15 H SER 15 -0.346 6.688 -1.701 128 HA SER 15 HA SER 15 0.172 9.009 -0.115 129 HB2 SER 15 HB2 SER 15 2.557 8.702 -0.757 130 HB3 SER 15 HB3 SER 15 1.812 7.135 -0.307 131 HG SER 15 HG SER 15 2.995 7.004 -2.378 132 H ASN 16 H ASN 16 0.418 8.404 -3.719 133 HA ASN 16 HA ASN 16 1.567 10.759 -4.496 134 HB2 ASN 16 HB2 ASN 16 0.882 9.004 -6.138 135 HB3 ASN 16 HB3 ASN 16 -0.833 9.406 -5.862 136 HD21 ASN 16 HD21 ASN 16 -0.976 9.811 -8.259 137 HD22 ASN 16 HD22 ASN 16 -0.364 11.298 -8.879 138 H LEU 17 H LEU 17 -1.950 10.329 -3.565 139 HA LEU 17 HA LEU 17 -2.095 13.286 -3.251 140 HB2 LEU 17 HB2 LEU 17 -4.216 13.312 -4.678 141 HB3 LEU 17 HB3 LEU 17 -2.678 13.106 -5.542 142 HG LEU 17 HG LEU 17 -3.047 10.678 -5.819 143 HD11 LEU 17 HD11 LEU 17 -5.283 9.649 -5.295 144 HD12 LEU 17 HD12 LEU 17 -5.770 11.137 -4.440 145 HD13 LEU 17 HD13 LEU 17 -4.437 10.119 -3.807 146 HD21 LEU 17 HD21 LEU 17 -5.443 12.370 -6.753 147 HD22 LEU 17 HD22 LEU 17 -4.901 10.826 -7.472 148 HD23 LEU 17 HD23 LEU 17 -3.854 12.265 -7.567 149 H LEU 18 H1 LEU 18 -1.886 11.504 -1.163 150 HA LEU 18 HA LEU 18 -3.013 10.879 0.756 151 HB2 LEU 18 HB2 LEU 18 -3.119 13.457 0.549 152 HB3 LEU 18 HB3 LEU 18 -4.833 13.277 0.115 153 HG LEU 18 HG LEU 18 -3.475 12.324 2.732 154 HD11 LEU 18 HD11 LEU 18 -3.634 14.815 2.563 155 HD12 LEU 18 HD12 LEU 18 -4.727 14.189 3.823 156 HD13 LEU 18 HD13 LEU 18 -5.388 14.691 2.239 157 HD21 LEU 18 HD21 LEU 18 -5.421 10.847 2.263 158 HD22 LEU 18 HD22 LEU 18 -6.457 12.276 1.941 159 HD23 LEU 18 HD23 LEU 18 -5.832 11.959 3.584 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -2.376 -8.331 0.481 2 HA2 GLY 1 HA2 GLY 1 -2.772 -10.640 2.334 3 HA3 GLY 1 HA3 GLY 1 -4.114 -9.856 1.450 4 H LEU 2 H LEU 2 -4.307 -12.316 0.747 5 HA LEU 2 HA LEU 2 -2.282 -13.153 -1.239 6 HB2 LEU 2 HB2 LEU 2 -3.499 -14.654 0.445 7 HB3 LEU 2 HB3 LEU 2 -4.943 -14.527 -0.582 8 HG LEU 2 HG LEU 2 -2.163 -15.653 -1.363 9 HD11 LEU 2 HD11 LEU 2 -3.458 -17.126 0.202 10 HD12 LEU 2 HD12 LEU 2 -3.319 -17.869 -1.412 11 HD13 LEU 2 HD13 LEU 2 -4.851 -17.094 -0.917 12 HD21 LEU 2 HD21 LEU 2 -3.204 -14.686 -3.406 13 HD22 LEU 2 HD22 LEU 2 -4.736 -15.556 -3.064 14 HD23 LEU 2 HD23 LEU 2 -3.255 -16.459 -3.483 15 H LEU 3 H LEU 3 -2.721 -10.966 -2.442 16 HA LEU 3 HA LEU 3 -4.367 -11.592 -4.735 17 HB2 LEU 3 HB2 LEU 3 -5.903 -9.639 -4.568 18 HB3 LEU 3 HB3 LEU 3 -6.293 -10.891 -3.392 19 HG LEU 3 HG LEU 3 -4.392 -8.787 -2.328 20 HD11 LEU 3 HD11 LEU 3 -5.853 -7.315 -3.713 21 HD12 LEU 3 HD12 LEU 3 -6.170 -7.077 -1.975 22 HD13 LEU 3 HD13 LEU 3 -7.309 -8.036 -2.964 23 HD21 LEU 3 HD21 LEU 3 -7.028 -9.923 -1.205 24 HD22 LEU 3 HD22 LEU 3 -5.819 -8.954 -0.318 25 HD23 LEU 3 HD23 LEU 3 -5.410 -10.593 -0.883 26 H LYS 4 H LYS 4 -1.822 -11.267 -5.008 27 HA LYS 4 HA LYS 4 -0.156 -10.007 -5.965 28 HB2 LYS 4 HB2 LYS 4 -2.533 -8.214 -6.796 29 HB3 LYS 4 HB3 LYS 4 -0.887 -7.712 -7.060 30 HG2 LYS 4 HG2 LYS 4 -1.681 -8.755 -9.089 31 HG3 LYS 4 HG3 LYS 4 -0.397 -9.762 -8.387 32 HD2 LYS 4 HD2 LYS 4 -2.176 -11.180 -9.260 33 HD3 LYS 4 HD3 LYS 4 -2.157 -11.359 -7.494 34 HE2 LYS 4 HE2 LYS 4 -4.163 -9.869 -7.302 35 HE3 LYS 4 HE3 LYS 4 -4.087 -9.509 -9.049 36 HZ1 LYS 4 HZ1 LYS 4 -5.794 -11.198 -8.537 37 HZ2 LYS 4 HZ2 LYS 4 -4.593 -12.240 -7.826 38 HZ3 LYS 4 HZ3 LYS 4 -4.553 -11.883 -9.536 39 HA PRO 5 HA PRO 5 0.897 -7.206 -2.610 40 HB2 PRO 5 HB2 PRO 5 2.911 -5.645 -3.650 41 HB3 PRO 5 HB3 PRO 5 3.119 -7.407 -3.436 42 HG2 PRO 5 HG2 PRO 5 2.218 -6.015 -6.012 43 HG3 PRO 5 HG3 PRO 5 3.649 -7.078 -5.818 44 HD2 PRO 5 HD2 PRO 5 1.329 -8.152 -6.715 45 HD3 PRO 5 HD3 PRO 5 2.201 -9.040 -5.419 46 H LEU 6 H LEU 6 -1.490 -6.484 -3.049 47 HA LEU 6 HA LEU 6 -2.044 -4.227 -4.658 48 HB2 LEU 6 HB2 LEU 6 -3.871 -5.563 -3.673 49 HB3 LEU 6 HB3 LEU 6 -3.309 -5.195 -2.023 50 HG LEU 6 HG LEU 6 -3.910 -2.802 -2.288 51 HD11 LEU 6 HD11 LEU 6 -4.962 -3.630 -5.077 52 HD12 LEU 6 HD12 LEU 6 -3.647 -2.466 -4.748 53 HD13 LEU 6 HD13 LEU 6 -5.311 -2.069 -4.279 54 HD21 LEU 6 HD21 LEU 6 -6.376 -3.079 -2.239 55 HD22 LEU 6 HD22 LEU 6 -5.596 -4.428 -1.373 56 HD23 LEU 6 HD23 LEU 6 -6.238 -4.676 -3.025 57 H LEU 7 H LEU 7 -0.858 -4.542 -1.225 58 HA LEU 7 HA LEU 7 -1.012 -2.018 -0.313 59 HB2 LEU 7 HB2 LEU 7 0.191 -3.863 0.904 60 HB3 LEU 7 HB3 LEU 7 1.509 -3.787 -0.288 61 HG LEU 7 HG LEU 7 2.054 -1.428 0.513 62 HD11 LEU 7 HD11 LEU 7 -0.152 -0.723 1.460 63 HD12 LEU 7 HD12 LEU 7 1.087 -0.682 2.730 64 HD13 LEU 7 HD13 LEU 7 -0.072 -2.039 2.670 65 HD21 LEU 7 HD21 LEU 7 2.077 -3.611 2.684 66 HD22 LEU 7 HD22 LEU 7 3.110 -2.152 2.657 67 HD23 LEU 7 HD23 LEU 7 3.298 -3.395 1.395 68 H LYS 8 H LYS 8 1.481 -3.116 -2.767 69 HA LYS 8 HA LYS 8 2.895 -0.634 -2.728 70 HB2 LYS 8 HB2 LYS 8 2.619 -2.704 -4.985 71 HB3 LYS 8 HB3 LYS 8 3.704 -1.291 -5.052 72 HG2 LYS 8 HG2 LYS 8 4.953 -2.065 -3.053 73 HG3 LYS 8 HG3 LYS 8 3.876 -3.470 -2.875 74 HD2 LYS 8 HD2 LYS 8 4.592 -4.292 -5.159 75 HD3 LYS 8 HD3 LYS 8 5.700 -2.898 -5.298 76 HE2 LYS 8 HE2 LYS 8 6.944 -3.689 -3.250 77 HE3 LYS 8 HE3 LYS 8 5.838 -5.087 -3.123 78 HZ1 LYS 8 HZ1 LYS 8 6.603 -5.865 -5.341 79 HZ2 LYS 8 HZ2 LYS 8 7.940 -5.700 -4.237 80 HZ3 LYS 8 HZ3 LYS 8 7.681 -4.497 -5.466 81 H ILE 9 H ILE 9 0.142 -1.784 -4.866 82 HA ILE 9 HA ILE 9 0.296 0.683 -6.412 83 HB ILE 9 HB ILE 9 -2.005 -1.330 -6.263 84 HG12 ILE 9 HG11 ILE 9 -0.058 -2.547 -7.086 85 HG13 ILE 9 HG12 ILE 9 -1.170 -2.228 -8.423 86 HG21 ILE 9 HG21 ILE 9 -2.702 -0.295 -8.463 87 HG22 ILE 9 HG22 ILE 9 -2.813 0.830 -7.092 88 HG23 ILE 9 HG23 ILE 9 -1.459 0.968 -8.238 89 HD11 ILE 9 HD11 ILE 9 1.487 -0.750 -7.867 90 HD12 ILE 9 HD12 ILE 9 1.145 -1.906 -9.172 91 HD13 ILE 9 HD13 ILE 9 0.347 -0.314 -9.181 92 H ALA 10 H ALA 10 -2.019 -0.573 -3.858 93 HA ALA 10 HA ALA 10 -3.614 1.724 -3.767 94 HB1 ALA 10 HB1 ALA 10 -4.084 1.115 -1.359 95 HB2 ALA 10 HB2 ALA 10 -4.177 -0.301 -2.445 96 HB3 ALA 10 HB3 ALA 10 -2.739 -0.066 -1.405 97 H ALA 11 H ALA 11 -0.432 1.078 -2.067 98 HA ALA 11 HA ALA 11 -0.482 3.573 -0.650 99 HB1 ALA 11 HB1 ALA 11 1.977 3.251 -0.351 100 HB2 ALA 11 HB2 ALA 11 1.079 1.749 0.017 101 HB3 ALA 11 HB3 ALA 11 1.964 1.909 -1.531 102 H LYS 12 H LYS 12 1.015 2.578 -3.857 103 HA LYS 12 HA LYS 12 2.373 4.945 -4.305 104 HB2 LYS 12 HB2 LYS 12 2.550 2.982 -5.843 105 HB3 LYS 12 HB3 LYS 12 0.870 3.230 -6.379 106 HG2 LYS 12 HG2 LYS 12 2.417 4.047 -8.080 107 HG3 LYS 12 HG3 LYS 12 1.484 5.418 -7.430 108 HD2 LYS 12 HD2 LYS 12 3.456 6.128 -6.052 109 HD3 LYS 12 HD3 LYS 12 4.347 4.658 -6.543 110 HE2 LYS 12 HE2 LYS 12 4.294 5.463 -8.940 111 HE3 LYS 12 HE3 LYS 12 3.401 6.918 -8.417 112 HZ1 LYS 12 HZ1 LYS 12 5.809 7.371 -8.663 113 HZ2 LYS 12 HZ2 LYS 12 6.193 6.130 -7.505 114 HZ3 LYS 12 HZ3 LYS 12 5.332 7.561 -7.001 115 H VAL 13 H VAL 13 -1.129 4.222 -5.025 116 HA VAL 13 HA VAL 13 -1.499 6.885 -6.197 117 HB VAL 13 HB VAL 13 -3.558 4.773 -5.331 118 HG11 VAL 13 HG11 VAL 13 -3.923 7.295 -7.065 119 HG12 VAL 13 HG12 VAL 13 -5.178 6.072 -6.726 120 HG13 VAL 13 HG13 VAL 13 -4.560 7.094 -5.405 121 HG21 VAL 13 HG21 VAL 13 -2.073 3.971 -7.211 122 HG22 VAL 13 HG22 VAL 13 -3.726 4.285 -7.782 123 HG23 VAL 13 HG23 VAL 13 -2.428 5.461 -8.123 124 H GLY 14 H GLY 14 -2.465 5.225 -3.070 125 HA2 GLY 14 HA2 GLY 14 -3.923 7.354 -2.036 126 HA3 GLY 14 HA3 GLY 14 -3.051 6.175 -1.026 127 H SER 15 H SER 15 -0.337 6.708 -1.553 128 HA SER 15 HA SER 15 -0.110 9.246 -0.035 129 HB2 SER 15 HB2 SER 15 2.245 8.526 0.296 130 HB3 SER 15 HB3 SER 15 1.096 7.233 0.739 131 HG SER 15 HG SER 15 2.519 7.314 -1.757 132 H ASN 16 H ASN 16 -1.058 10.144 -2.361 133 HA ASN 16 HA ASN 16 1.197 11.600 -3.487 134 HB2 ASN 16 HB2 ASN 16 1.209 9.236 -4.610 135 HB3 ASN 16 HB3 ASN 16 -0.355 9.670 -5.339 136 HD21 ASN 16 HD21 ASN 16 1.474 8.943 -7.154 137 HD22 ASN 16 HD22 ASN 16 2.236 10.302 -7.899 138 H LEU 17 H LEU 17 -0.011 12.820 -5.702 139 HA LEU 17 HA LEU 17 -2.622 13.776 -4.573 140 HB2 LEU 17 HB2 LEU 17 -2.516 15.610 -6.116 141 HB3 LEU 17 HB3 LEU 17 -1.112 15.607 -5.045 142 HG LEU 17 HG LEU 17 -0.613 14.179 -7.656 143 HD11 LEU 17 HD11 LEU 17 -2.115 15.948 -8.534 144 HD12 LEU 17 HD12 LEU 17 -0.432 16.256 -9.030 145 HD13 LEU 17 HD13 LEU 17 -1.156 17.205 -7.700 146 HD21 LEU 17 HD21 LEU 17 0.889 16.509 -6.299 147 HD22 LEU 17 HD22 LEU 17 1.507 15.451 -7.598 148 HD23 LEU 17 HD23 LEU 17 1.229 14.794 -5.966 149 H LEU 18 H1 LEU 18 -2.865 11.177 -5.326 150 HA LEU 18 HA LEU 18 -3.816 9.752 -6.849 151 HB2 LEU 18 HB2 LEU 18 -5.581 11.426 -5.895 152 HB3 LEU 18 HB3 LEU 18 -5.611 12.153 -7.516 153 HG LEU 18 HG LEU 18 -6.244 9.210 -6.762 154 HD11 LEU 18 HD11 LEU 18 -7.999 10.834 -6.024 155 HD12 LEU 18 HD12 LEU 18 -8.605 9.788 -7.333 156 HD13 LEU 18 HD13 LEU 18 -8.122 11.471 -7.688 157 HD21 LEU 18 HD21 LEU 18 -5.317 9.242 -9.071 158 HD22 LEU 18 HD22 LEU 18 -6.422 10.583 -9.519 159 HD23 LEU 18 HD23 LEU 18 -7.069 8.961 -9.138 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -10.318 -9.083 -6.423 2 HA2 GLY 1 HA2 GLY 1 -9.978 -11.893 -5.489 3 HA3 GLY 1 HA3 GLY 1 -8.954 -11.167 -6.763 4 H LEU 2 H LEU 2 -7.736 -12.273 -4.433 5 HA LEU 2 HA LEU 2 -6.474 -9.806 -3.355 6 HB2 LEU 2 HB2 LEU 2 -8.568 -10.550 -1.976 7 HB3 LEU 2 HB3 LEU 2 -7.609 -11.947 -1.454 8 HG LEU 2 HG LEU 2 -6.966 -8.946 -1.039 9 HD11 LEU 2 HD11 LEU 2 -8.841 -9.809 0.390 10 HD12 LEU 2 HD12 LEU 2 -7.412 -9.412 1.377 11 HD13 LEU 2 HD13 LEU 2 -7.786 -11.117 0.996 12 HD21 LEU 2 HD21 LEU 2 -5.372 -11.392 -0.041 13 HD22 LEU 2 HD22 LEU 2 -5.090 -9.702 0.461 14 HD23 LEU 2 HD23 LEU 2 -4.805 -10.172 -1.228 15 H LEU 3 H LEU 3 -4.927 -10.847 -4.995 16 HA LEU 3 HA LEU 3 -3.081 -12.591 -3.485 17 HB2 LEU 3 HB2 LEU 3 -3.080 -14.317 -5.390 18 HB3 LEU 3 HB3 LEU 3 -4.489 -14.311 -4.310 19 HG LEU 3 HG LEU 3 -5.870 -13.096 -5.969 20 HD11 LEU 3 HD11 LEU 3 -3.424 -13.299 -7.839 21 HD12 LEU 3 HD12 LEU 3 -4.174 -11.788 -7.227 22 HD13 LEU 3 HD13 LEU 3 -5.071 -12.832 -8.343 23 HD21 LEU 3 HD21 LEU 3 -4.520 -15.611 -7.122 24 HD22 LEU 3 HD22 LEU 3 -6.123 -14.970 -7.588 25 HD23 LEU 3 HD23 LEU 3 -5.863 -15.593 -5.939 26 H LYS 4 H LYS 4 -2.722 -9.932 -4.117 27 HA LYS 4 HA LYS 4 -0.360 -10.163 -5.895 28 HB2 LYS 4 HB2 LYS 4 -2.985 -8.719 -6.493 29 HB3 LYS 4 HB3 LYS 4 -1.517 -7.801 -6.862 30 HG2 LYS 4 HG2 LYS 4 -0.675 -9.582 -8.343 31 HG3 LYS 4 HG3 LYS 4 -2.079 -10.616 -7.980 32 HD2 LYS 4 HD2 LYS 4 -3.632 -8.940 -8.936 33 HD3 LYS 4 HD3 LYS 4 -2.279 -7.836 -9.302 34 HE2 LYS 4 HE2 LYS 4 -2.593 -10.671 -10.495 35 HE3 LYS 4 HE3 LYS 4 -3.144 -9.173 -11.287 36 HZ1 LYS 4 HZ1 LYS 4 -0.258 -9.872 -10.650 37 HZ2 LYS 4 HZ2 LYS 4 -0.803 -8.334 -11.272 38 HZ3 LYS 4 HZ3 LYS 4 -1.008 -9.789 -12.198 39 HA PRO 5 HA PRO 5 0.920 -7.183 -2.792 40 HB2 PRO 5 HB2 PRO 5 2.846 -5.677 -4.040 41 HB3 PRO 5 HB3 PRO 5 3.044 -7.446 -3.853 42 HG2 PRO 5 HG2 PRO 5 1.901 -6.026 -6.319 43 HG3 PRO 5 HG3 PRO 5 3.326 -7.113 -6.280 44 HD2 PRO 5 HD2 PRO 5 0.858 -8.111 -6.914 45 HD3 PRO 5 HD3 PRO 5 1.904 -9.058 -5.788 46 H LEU 6 H LEU 6 -1.521 -6.472 -3.098 47 HA LEU 6 HA LEU 6 -2.121 -4.203 -4.691 48 HB2 LEU 6 HB2 LEU 6 -3.912 -5.570 -3.654 49 HB3 LEU 6 HB3 LEU 6 -3.317 -5.171 -2.024 50 HG LEU 6 HG LEU 6 -3.944 -2.773 -2.335 51 HD11 LEU 6 HD11 LEU 6 -3.771 -2.504 -4.806 52 HD12 LEU 6 HD12 LEU 6 -5.426 -2.125 -4.293 53 HD13 LEU 6 HD13 LEU 6 -5.076 -3.703 -5.056 54 HD21 LEU 6 HD21 LEU 6 -6.414 -3.098 -2.210 55 HD22 LEU 6 HD22 LEU 6 -5.563 -4.367 -1.293 56 HD23 LEU 6 HD23 LEU 6 -6.248 -4.738 -2.902 57 H LEU 7 H LEU 7 -0.902 -4.552 -1.269 58 HA LEU 7 HA LEU 7 -1.107 -2.019 -0.367 59 HB2 LEU 7 HB2 LEU 7 0.003 -3.816 0.942 60 HB3 LEU 7 HB3 LEU 7 1.373 -3.832 -0.194 61 HG LEU 7 HG LEU 7 2.038 -1.521 0.536 62 HD11 LEU 7 HD11 LEU 7 -0.308 -1.786 2.528 63 HD12 LEU 7 HD12 LEU 7 -0.153 -0.556 1.239 64 HD13 LEU 7 HD13 LEU 7 0.966 -0.538 2.615 65 HD21 LEU 7 HD21 LEU 7 2.866 -2.158 2.799 66 HD22 LEU 7 HD22 LEU 7 3.021 -3.524 1.663 67 HD23 LEU 7 HD23 LEU 7 1.697 -3.508 2.865 68 H LYS 8 H LYS 8 1.492 -3.125 -2.705 69 HA LYS 8 HA LYS 8 2.879 -0.620 -2.606 70 HB2 LYS 8 HB2 LYS 8 2.762 -2.712 -4.863 71 HB3 LYS 8 HB3 LYS 8 3.828 -1.282 -4.868 72 HG2 LYS 8 HG2 LYS 8 4.928 -2.045 -2.756 73 HG3 LYS 8 HG3 LYS 8 3.889 -3.494 -2.716 74 HD2 LYS 8 HD2 LYS 8 4.848 -4.242 -4.920 75 HD3 LYS 8 HD3 LYS 8 5.878 -2.786 -4.968 76 HE2 LYS 8 HE2 LYS 8 7.022 -3.510 -2.851 77 HE3 LYS 8 HE3 LYS 8 5.986 -4.963 -2.783 78 HZ1 LYS 8 HZ1 LYS 8 8.192 -5.466 -3.750 79 HZ2 LYS 8 HZ2 LYS 8 7.941 -4.294 -5.012 80 HZ3 LYS 8 HZ3 LYS 8 6.938 -5.722 -4.930 81 H ILE 9 H ILE 9 0.238 -1.832 -4.834 82 HA ILE 9 HA ILE 9 0.379 0.589 -6.427 83 HB ILE 9 HB ILE 9 -1.949 -1.391 -6.164 84 HG12 ILE 9 HG11 ILE 9 -0.025 -2.626 -7.029 85 HG13 ILE 9 HG12 ILE 9 -1.211 -2.356 -8.313 86 HG21 ILE 9 HG21 ILE 9 -2.783 0.748 -7.000 87 HG22 ILE 9 HG22 ILE 9 -1.463 0.875 -8.189 88 HG23 ILE 9 HG23 ILE 9 -2.712 -0.394 -8.360 89 HD11 ILE 9 HD11 ILE 9 0.245 -0.468 -9.225 90 HD12 ILE 9 HD12 ILE 9 1.459 -0.843 -7.961 91 HD13 ILE 9 HD13 ILE 9 1.055 -2.054 -9.198 92 H ALA 10 H ALA 10 -1.967 -0.545 -3.840 93 HA ALA 10 HA ALA 10 -3.488 1.795 -3.800 94 HB1 ALA 10 HB1 ALA 10 -4.101 -0.201 -2.443 95 HB2 ALA 10 HB2 ALA 10 -2.674 0.041 -1.390 96 HB3 ALA 10 HB3 ALA 10 -4.001 1.242 -1.394 97 H ALA 11 H ALA 11 -0.339 1.109 -2.054 98 HA ALA 11 HA ALA 11 -0.333 3.548 -0.602 99 HB1 ALA 11 HB1 ALA 11 1.298 1.752 -0.074 100 HB2 ALA 11 HB2 ALA 11 2.098 1.967 -1.659 101 HB3 ALA 11 HB3 ALA 11 2.151 3.280 -0.446 102 H LYS 12 H LYS 12 1.142 2.744 -3.892 103 HA LYS 12 HA LYS 12 2.219 5.303 -4.306 104 HB2 LYS 12 HB2 LYS 12 2.539 3.318 -5.895 105 HB3 LYS 12 HB3 LYS 12 0.875 3.568 -6.455 106 HG2 LYS 12 HG2 LYS 12 1.697 6.073 -7.015 107 HG3 LYS 12 HG3 LYS 12 3.319 5.420 -6.729 108 HD2 LYS 12 HD2 LYS 12 2.958 5.349 -9.103 109 HD3 LYS 12 HD3 LYS 12 2.781 3.655 -8.570 110 HE2 LYS 12 HE2 LYS 12 0.253 3.925 -8.667 111 HE3 LYS 12 HE3 LYS 12 0.458 5.643 -9.092 112 HZ1 LYS 12 HZ1 LYS 12 0.005 4.268 -11.066 113 HZ2 LYS 12 HZ2 LYS 12 1.406 3.286 -10.749 114 HZ3 LYS 12 HZ3 LYS 12 1.590 4.969 -11.179 115 H VAL 13 H VAL 13 -1.169 4.072 -5.015 116 HA VAL 13 HA VAL 13 -1.891 6.507 -6.352 117 HB VAL 13 HB VAL 13 -3.662 4.368 -5.047 118 HG11 VAL 13 HG11 VAL 13 -4.460 6.756 -6.835 119 HG12 VAL 13 HG12 VAL 13 -5.538 5.404 -6.384 120 HG13 VAL 13 HG13 VAL 13 -4.936 6.510 -5.129 121 HG21 VAL 13 HG21 VAL 13 -2.980 4.939 -8.010 122 HG22 VAL 13 HG22 VAL 13 -2.308 3.589 -7.060 123 HG23 VAL 13 HG23 VAL 13 -4.051 3.643 -7.408 124 H GLY 14 H GLY 14 -2.515 5.360 -2.910 125 HA2 GLY 14 HA2 GLY 14 -3.837 7.836 -2.243 126 HA3 GLY 14 HA3 GLY 14 -3.240 6.633 -1.083 127 H SER 15 H SER 15 -0.639 6.498 -1.034 128 HA SER 15 HA SER 15 0.139 8.911 0.158 129 HB2 SER 15 HB2 SER 15 2.058 6.843 -1.080 130 HB3 SER 15 HB3 SER 15 2.415 7.997 0.242 131 HG SER 15 HG SER 15 1.776 5.838 1.055 132 H ASN 16 H ASN 16 0.671 7.778 -3.269 133 HA ASN 16 HA ASN 16 1.813 8.799 -5.022 134 HB2 ASN 16 HB2 ASN 16 0.898 11.422 -3.712 135 HB3 ASN 16 HB3 ASN 16 1.380 11.174 -5.406 136 HD21 ASN 16 HD21 ASN 16 0.017 9.321 -6.620 137 HD22 ASN 16 HD22 ASN 16 -1.666 9.316 -6.249 138 H LEU 17 H LEU 17 3.400 7.741 -3.173 139 HA LEU 17 HA LEU 17 5.282 9.784 -2.260 140 HB2 LEU 17 HB2 LEU 17 6.515 8.054 -1.173 141 HB3 LEU 17 HB3 LEU 17 4.777 7.841 -0.904 142 HG LEU 17 HG LEU 17 4.966 6.032 -2.895 143 HD11 LEU 17 HD11 LEU 17 7.870 6.048 -1.838 144 HD12 LEU 17 HD12 LEU 17 7.409 6.591 -3.467 145 HD13 LEU 17 HD13 LEU 17 7.162 4.894 -3.001 146 HD21 LEU 17 HD21 LEU 17 5.485 4.260 -1.217 147 HD22 LEU 17 HD22 LEU 17 4.339 5.461 -0.571 148 HD23 LEU 17 HD23 LEU 17 6.057 5.512 -0.073 149 H LEU 18 H1 LEU 18 5.167 7.295 -4.948 150 HA LEU 18 HA LEU 18 6.606 7.060 -6.762 151 HB2 LEU 18 HB2 LEU 18 6.562 10.122 -6.476 152 HB3 LEU 18 HB3 LEU 18 7.376 9.274 -7.804 153 HG LEU 18 HG LEU 18 5.224 10.173 -8.505 154 HD11 LEU 18 HD11 LEU 18 4.315 8.231 -9.680 155 HD12 LEU 18 HD12 LEU 18 5.055 7.093 -8.531 156 HD13 LEU 18 HD13 LEU 18 6.092 8.077 -9.607 157 HD21 LEU 18 HD21 LEU 18 3.992 9.988 -6.306 158 HD22 LEU 18 HD22 LEU 18 3.785 8.232 -6.605 159 HD23 LEU 18 HD23 LEU 18 3.050 9.412 -7.709 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 -10.859 -11.133 -3.402 2 HA2 GLY 1 HA2 GLY 1 -9.867 -13.104 -4.542 3 HA3 GLY 1 HA3 GLY 1 -8.973 -11.950 -5.569 4 H LEU 2 H LEU 2 -7.731 -10.148 -4.109 5 HA LEU 2 HA LEU 2 -5.975 -9.764 -2.639 6 HB2 LEU 2 HB2 LEU 2 -7.509 -11.725 -0.839 7 HB3 LEU 2 HB3 LEU 2 -6.006 -10.890 -0.401 8 HG LEU 2 HG LEU 2 -7.084 -8.671 -0.650 9 HD11 LEU 2 HD11 LEU 2 -9.646 -10.285 -1.239 10 HD12 LEU 2 HD12 LEU 2 -8.876 -9.076 -2.311 11 HD13 LEU 2 HD13 LEU 2 -9.630 -8.554 -0.799 12 HD21 LEU 2 HD21 LEU 2 -7.049 -9.840 1.572 13 HD22 LEU 2 HD22 LEU 2 -8.629 -10.594 1.203 14 HD23 LEU 2 HD23 LEU 2 -8.500 -8.821 1.399 15 H LEU 3 H LEU 3 -4.859 -10.877 -4.583 16 HA LEU 3 HA LEU 3 -3.072 -12.856 -3.285 17 HB2 LEU 3 HB2 LEU 3 -3.107 -14.398 -5.180 18 HB3 LEU 3 HB3 LEU 3 -4.706 -14.337 -4.428 19 HG LEU 3 HG LEU 3 -4.194 -12.467 -6.798 20 HD11 LEU 3 HD11 LEU 3 -4.796 -14.261 -8.432 21 HD12 LEU 3 HD12 LEU 3 -4.720 -15.482 -7.126 22 HD13 LEU 3 HD13 LEU 3 -3.245 -14.597 -7.623 23 HD21 LEU 3 HD21 LEU 3 -6.654 -14.145 -5.979 24 HD22 LEU 3 HD22 LEU 3 -6.594 -12.923 -7.279 25 HD23 LEU 3 HD23 LEU 3 -6.425 -12.422 -5.583 26 H LYS 4 H LYS 4 -2.726 -10.006 -3.893 27 HA LYS 4 HA LYS 4 -0.348 -10.259 -5.618 28 HB2 LYS 4 HB2 LYS 4 -3.012 -9.005 -6.425 29 HB3 LYS 4 HB3 LYS 4 -1.574 -8.048 -6.820 30 HG2 LYS 4 HG2 LYS 4 -0.590 -9.937 -8.102 31 HG3 LYS 4 HG3 LYS 4 -1.992 -10.965 -7.694 32 HD2 LYS 4 HD2 LYS 4 -3.522 -9.572 -8.968 33 HD3 LYS 4 HD3 LYS 4 -2.278 -8.320 -9.226 34 HE2 LYS 4 HE2 LYS 4 -2.626 -9.721 -11.260 35 HE3 LYS 4 HE3 LYS 4 -0.949 -9.804 -10.664 36 HZ1 LYS 4 HZ1 LYS 4 -1.896 -12.003 -11.375 37 HZ2 LYS 4 HZ2 LYS 4 -3.049 -11.916 -10.072 38 HZ3 LYS 4 HZ3 LYS 4 -1.330 -12.022 -9.753 39 HA PRO 5 HA PRO 5 0.795 -7.091 -2.715 40 HB2 PRO 5 HB2 PRO 5 2.736 -5.638 -4.000 41 HB3 PRO 5 HB3 PRO 5 2.932 -7.396 -3.726 42 HG2 PRO 5 HG2 PRO 5 1.823 -6.103 -6.277 43 HG3 PRO 5 HG3 PRO 5 3.255 -7.175 -6.162 44 HD2 PRO 5 HD2 PRO 5 0.806 -8.222 -6.782 45 HD3 PRO 5 HD3 PRO 5 1.841 -9.102 -5.592 46 H LEU 6 H LEU 6 -1.622 -6.346 -3.013 47 HA LEU 6 HA LEU 6 -2.079 -3.993 -4.647 48 HB2 LEU 6 HB2 LEU 6 -3.578 -5.117 -2.210 49 HB3 LEU 6 HB3 LEU 6 -3.971 -3.540 -2.932 50 HG LEU 6 HG LEU 6 -4.476 -4.546 -5.120 51 HD11 LEU 6 HD11 LEU 6 -2.986 -6.540 -5.138 52 HD12 LEU 6 HD12 LEU 6 -4.672 -7.040 -5.389 53 HD13 LEU 6 HD13 LEU 6 -3.916 -7.272 -3.788 54 HD21 LEU 6 HD21 LEU 6 -6.303 -4.287 -3.423 55 HD22 LEU 6 HD22 LEU 6 -5.977 -5.935 -2.808 56 HD23 LEU 6 HD23 LEU 6 -6.594 -5.702 -4.469 57 H LEU 7 H LEU 7 -0.792 -4.601 -1.281 58 HA LEU 7 HA LEU 7 -0.950 -2.135 -0.201 59 HB2 LEU 7 HB2 LEU 7 0.294 -3.972 0.912 60 HB3 LEU 7 HB3 LEU 7 1.560 -3.907 -0.336 61 HG LEU 7 HG LEU 7 2.227 -1.594 0.456 62 HD11 LEU 7 HD11 LEU 7 0.094 -0.763 1.432 63 HD12 LEU 7 HD12 LEU 7 1.355 -0.780 2.681 64 HD13 LEU 7 HD13 LEU 7 0.118 -2.070 2.654 65 HD21 LEU 7 HD21 LEU 7 2.202 -3.736 2.665 66 HD22 LEU 7 HD22 LEU 7 3.315 -2.341 2.563 67 HD23 LEU 7 HD23 LEU 7 3.388 -3.626 1.332 68 H LYS 8 H LYS 8 1.564 -3.052 -2.725 69 HA LYS 8 HA LYS 8 2.700 -0.375 -2.619 70 HB2 LYS 8 HB2 LYS 8 3.078 -2.719 -4.561 71 HB3 LYS 8 HB3 LYS 8 3.719 -1.104 -4.928 72 HG2 LYS 8 HG2 LYS 8 5.477 -2.453 -3.863 73 HG3 LYS 8 HG3 LYS 8 5.052 -1.019 -2.896 74 HD2 LYS 8 HD2 LYS 8 3.676 -2.492 -1.355 75 HD3 LYS 8 HD3 LYS 8 4.079 -3.898 -2.375 76 HE2 LYS 8 HE2 LYS 8 5.494 -3.925 -0.400 77 HE3 LYS 8 HE3 LYS 8 6.535 -3.535 -1.791 78 HZ1 LYS 8 HZ1 LYS 8 5.386 -1.486 0.149 79 HZ2 LYS 8 HZ2 LYS 8 6.569 -1.171 -1.100 80 HZ3 LYS 8 HZ3 LYS 8 6.984 -2.158 0.245 81 H ILE 9 H ILE 9 0.233 -1.983 -4.777 82 HA ILE 9 HA ILE 9 0.222 0.230 -6.622 83 HB ILE 9 HB ILE 9 -1.958 -1.838 -6.014 84 HG12 ILE 9 HG11 ILE 9 -0.058 -1.617 -8.434 85 HG13 ILE 9 HG12 ILE 9 0.286 -2.644 -7.029 86 HG21 ILE 9 HG21 ILE 9 -3.067 -1.047 -8.126 87 HG22 ILE 9 HG22 ILE 9 -2.991 0.252 -6.931 88 HG23 ILE 9 HG23 ILE 9 -1.833 0.236 -8.291 89 HD11 ILE 9 HD11 ILE 9 -2.096 -3.019 -8.939 90 HD12 ILE 9 HD12 ILE 9 -0.668 -4.058 -8.752 91 HD13 ILE 9 HD13 ILE 9 -1.849 -3.933 -7.421 92 H ALA 10 H ALA 10 -2.041 -0.639 -3.879 93 HA ALA 10 HA ALA 10 -3.515 1.747 -3.994 94 HB1 ALA 10 HB1 ALA 10 -2.820 0.065 -1.495 95 HB2 ALA 10 HB2 ALA 10 -4.116 1.297 -1.595 96 HB3 ALA 10 HB3 ALA 10 -4.216 -0.191 -2.581 97 H ALA 11 H ALA 11 -0.493 1.011 -2.011 98 HA ALA 11 HA ALA 11 -0.509 3.488 -0.664 99 HB1 ALA 11 HB1 ALA 11 1.962 1.849 -1.519 100 HB2 ALA 11 HB2 ALA 11 1.957 3.172 -0.315 101 HB3 ALA 11 HB3 ALA 11 1.052 1.667 0.015 102 H LYS 12 H LYS 12 0.986 2.598 -3.880 103 HA LYS 12 HA LYS 12 2.375 5.000 -4.254 104 HB2 LYS 12 HB2 LYS 12 2.621 3.076 -5.729 105 HB3 LYS 12 HB3 LYS 12 0.970 3.239 -6.367 106 HG2 LYS 12 HG2 LYS 12 3.022 5.516 -6.666 107 HG3 LYS 12 HG3 LYS 12 3.010 4.128 -7.781 108 HD2 LYS 12 HD2 LYS 12 0.654 4.590 -8.438 109 HD3 LYS 12 HD3 LYS 12 0.615 6.025 -7.387 110 HE2 LYS 12 HE2 LYS 12 2.493 7.054 -8.679 111 HE3 LYS 12 HE3 LYS 12 2.549 5.622 -9.744 112 HZ1 LYS 12 HZ1 LYS 12 0.233 6.080 -10.462 113 HZ2 LYS 12 HZ2 LYS 12 1.264 7.445 -10.769 114 HZ3 LYS 12 HZ3 LYS 12 0.165 7.478 -9.419 115 H VAL 13 H VAL 13 -1.116 4.256 -5.048 116 HA VAL 13 HA VAL 13 -1.499 6.962 -6.077 117 HB VAL 13 HB VAL 13 -3.546 4.810 -5.305 118 HG11 VAL 13 HG11 VAL 13 -4.589 7.074 -5.160 119 HG12 VAL 13 HG12 VAL 13 -3.941 7.497 -6.772 120 HG13 VAL 13 HG13 VAL 13 -5.177 6.218 -6.605 121 HG21 VAL 13 HG21 VAL 13 -3.741 4.496 -7.782 122 HG22 VAL 13 HG22 VAL 13 -2.476 5.726 -8.056 123 HG23 VAL 13 HG23 VAL 13 -2.069 4.181 -7.265 124 H GLY 14 H GLY 14 -2.545 5.230 -3.012 125 HA2 GLY 14 HA2 GLY 14 -3.788 7.417 -1.827 126 HA3 GLY 14 HA3 GLY 14 -2.979 6.125 -0.906 127 H SER 15 H SER 15 -0.222 6.890 -2.198 128 HA SER 15 HA SER 15 0.613 8.571 -0.077 129 HB2 SER 15 HB2 SER 15 1.905 8.181 -2.854 130 HB3 SER 15 HB3 SER 15 2.649 9.076 -1.500 131 HG SER 15 HG SER 15 1.980 6.291 -1.365 132 H ASN 16 H ASN 16 -0.483 9.354 -3.481 133 HA ASN 16 HA ASN 16 0.091 12.078 -3.455 134 HB2 ASN 16 HB2 ASN 16 -2.482 10.771 -4.546 135 HB3 ASN 16 HB3 ASN 16 -1.888 12.388 -4.988 136 HD21 ASN 16 HD21 ASN 16 0.475 12.461 -5.943 137 HD22 ASN 16 HD22 ASN 16 0.897 11.144 -6.972 138 H LEU 17 H LEU 17 -2.632 10.347 -1.774 139 HA LEU 17 HA LEU 17 -3.236 12.949 -0.383 140 HB2 LEU 17 HB2 LEU 17 -5.524 12.230 -0.095 141 HB3 LEU 17 HB3 LEU 17 -5.163 12.410 -1.817 142 HG LEU 17 HG LEU 17 -4.812 9.604 -0.688 143 HD11 LEU 17 HD11 LEU 17 -6.898 10.278 0.471 144 HD12 LEU 17 HD12 LEU 17 -7.260 9.104 -0.819 145 HD13 LEU 17 HD13 LEU 17 -7.600 10.841 -1.075 146 HD21 LEU 17 HD21 LEU 17 -4.500 10.121 -3.178 147 HD22 LEU 17 HD22 LEU 17 -6.205 10.624 -3.247 148 HD23 LEU 17 HD23 LEU 17 -5.787 8.932 -2.868 149 H LEU 18 H1 LEU 18 -1.090 11.494 0.509 150 HA LEU 18 HA LEU 18 -0.340 10.265 2.351 151 HB2 LEU 18 HB2 LEU 18 -2.845 11.532 3.610 152 HB3 LEU 18 HB3 LEU 18 -1.402 10.966 4.484 153 HG LEU 18 HG LEU 18 -1.456 13.302 2.455 154 HD11 LEU 18 HD11 LEU 18 -1.247 14.790 4.456 155 HD12 LEU 18 HD12 LEU 18 -1.362 13.371 5.535 156 HD13 LEU 18 HD13 LEU 18 -2.753 13.843 4.516 157 HD21 LEU 18 HD21 LEU 18 0.833 12.298 2.563 158 HD22 LEU 18 HD22 LEU 18 0.777 12.326 4.352 159 HD23 LEU 18 HD23 LEU 18 0.824 13.850 3.422 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 -9.764 -8.625 -6.768 2 HA2 GLY 1 HA2 GLY 1 -10.311 -11.212 -5.386 3 HA3 GLY 1 HA3 GLY 1 -9.012 -11.009 -6.600 4 H LEU 2 H LEU 2 -7.969 -11.987 -4.376 5 HA LEU 2 HA LEU 2 -6.574 -9.655 -3.174 6 HB2 LEU 2 HB2 LEU 2 -8.642 -10.116 -1.784 7 HB3 LEU 2 HB3 LEU 2 -8.117 -11.805 -1.606 8 HG LEU 2 HG LEU 2 -6.066 -10.996 -0.320 9 HD11 LEU 2 HD11 LEU 2 -6.068 -8.611 0.539 10 HD12 LEU 2 HD12 LEU 2 -7.385 -8.221 -0.602 11 HD13 LEU 2 HD13 LEU 2 -5.768 -8.694 -1.206 12 HD21 LEU 2 HD21 LEU 2 -7.302 -10.399 1.759 13 HD22 LEU 2 HD22 LEU 2 -8.147 -11.698 0.880 14 HD23 LEU 2 HD23 LEU 2 -8.765 -10.021 0.803 15 H LEU 3 H LEU 3 -5.040 -10.732 -4.803 16 HA LEU 3 HA LEU 3 -3.322 -12.583 -3.285 17 HB2 LEU 3 HB2 LEU 3 -3.389 -14.310 -5.204 18 HB3 LEU 3 HB3 LEU 3 -4.805 -14.232 -4.140 19 HG LEU 3 HG LEU 3 -6.100 -12.940 -5.806 20 HD11 LEU 3 HD11 LEU 3 -4.328 -11.701 -7.025 21 HD12 LEU 3 HD12 LEU 3 -5.257 -12.688 -8.167 22 HD13 LEU 3 HD13 LEU 3 -3.641 -13.237 -7.646 23 HD21 LEU 3 HD21 LEU 3 -6.421 -14.779 -7.451 24 HD22 LEU 3 HD22 LEU 3 -6.214 -15.435 -5.807 25 HD23 LEU 3 HD23 LEU 3 -4.858 -15.503 -6.972 26 H LYS 4 H LYS 4 -2.827 -9.922 -3.972 27 HA LYS 4 HA LYS 4 -0.482 -10.282 -5.755 28 HB2 LYS 4 HB2 LYS 4 -3.089 -8.827 -6.395 29 HB3 LYS 4 HB3 LYS 4 -1.614 -7.930 -6.781 30 HG2 LYS 4 HG2 LYS 4 -0.809 -9.712 -8.286 31 HG3 LYS 4 HG3 LYS 4 -2.114 -10.796 -7.781 32 HD2 LYS 4 HD2 LYS 4 -2.595 -9.838 -9.997 33 HD3 LYS 4 HD3 LYS 4 -3.838 -9.403 -8.800 34 HE2 LYS 4 HE2 LYS 4 -3.301 -7.513 -10.305 35 HE3 LYS 4 HE3 LYS 4 -2.939 -7.097 -8.619 36 HZ1 LYS 4 HZ1 LYS 4 -1.197 -6.360 -10.245 37 HZ2 LYS 4 HZ2 LYS 4 -0.874 -8.020 -10.654 38 HZ3 LYS 4 HZ3 LYS 4 -0.537 -7.412 -9.050 39 HA PRO 5 HA PRO 5 0.920 -7.192 -2.811 40 HB2 PRO 5 HB2 PRO 5 2.810 -5.734 -4.181 41 HB3 PRO 5 HB3 PRO 5 3.009 -7.494 -3.920 42 HG2 PRO 5 HG2 PRO 5 1.788 -6.187 -6.411 43 HG3 PRO 5 HG3 PRO 5 3.218 -7.269 -6.367 44 HD2 PRO 5 HD2 PRO 5 0.746 -8.304 -6.881 45 HD3 PRO 5 HD3 PRO 5 1.814 -9.190 -5.731 46 H LEU 6 H LEU 6 -1.514 -6.487 -3.056 47 HA LEU 6 HA LEU 6 -2.111 -4.177 -4.656 48 HB2 LEU 6 HB2 LEU 6 -3.852 -5.613 -3.802 49 HB3 LEU 6 HB3 LEU 6 -3.431 -5.303 -2.107 50 HG LEU 6 HG LEU 6 -4.211 -2.931 -3.882 51 HD11 LEU 6 HD11 LEU 6 -6.215 -4.855 -2.549 52 HD12 LEU 6 HD12 LEU 6 -6.010 -4.600 -4.308 53 HD13 LEU 6 HD13 LEU 6 -6.629 -3.279 -3.287 54 HD21 LEU 6 HD21 LEU 6 -5.155 -2.065 -1.700 55 HD22 LEU 6 HD22 LEU 6 -3.430 -2.445 -1.515 56 HD23 LEU 6 HD23 LEU 6 -4.661 -3.565 -0.882 57 H LEU 7 H LEU 7 -0.791 -4.644 -1.286 58 HA LEU 7 HA LEU 7 -1.061 -2.136 -0.318 59 HB2 LEU 7 HB2 LEU 7 0.100 -3.925 0.946 60 HB3 LEU 7 HB3 LEU 7 1.474 -3.864 -0.182 61 HG LEU 7 HG LEU 7 2.030 -1.536 0.589 62 HD11 LEU 7 HD11 LEU 7 -0.314 -1.941 2.559 63 HD12 LEU 7 HD12 LEU 7 -0.190 -0.671 1.305 64 HD13 LEU 7 HD13 LEU 7 0.909 -0.648 2.696 65 HD21 LEU 7 HD21 LEU 7 3.101 -3.513 1.689 66 HD22 LEU 7 HD22 LEU 7 1.769 -3.577 2.881 67 HD23 LEU 7 HD23 LEU 7 2.879 -2.176 2.847 68 H LYS 8 H LYS 8 1.677 -3.103 -2.608 69 HA LYS 8 HA LYS 8 2.797 -0.471 -2.606 70 HB2 LYS 8 HB2 LYS 8 2.847 -2.610 -4.828 71 HB3 LYS 8 HB3 LYS 8 3.707 -1.049 -4.914 72 HG2 LYS 8 HG2 LYS 8 4.995 -1.620 -2.834 73 HG3 LYS 8 HG3 LYS 8 4.194 -3.216 -2.793 74 HD2 LYS 8 HD2 LYS 8 5.197 -3.801 -5.009 75 HD3 LYS 8 HD3 LYS 8 5.859 -2.155 -5.173 76 HE2 LYS 8 HE2 LYS 8 7.659 -3.658 -4.542 77 HE3 LYS 8 HE3 LYS 8 7.360 -2.511 -3.212 78 HZ1 LYS 8 HZ1 LYS 8 7.733 -4.857 -2.458 79 HZ2 LYS 8 HZ2 LYS 8 6.307 -5.362 -3.314 80 HZ3 LYS 8 HZ3 LYS 8 6.192 -4.267 -1.954 81 H ILE 9 H ILE 9 0.245 -2.014 -4.704 82 HA ILE 9 HA ILE 9 0.237 0.157 -6.570 83 HB ILE 9 HB ILE 9 -1.938 -1.901 -5.927 84 HG12 ILE 9 HG11 ILE 9 -0.031 -1.698 -8.349 85 HG13 ILE 9 HG12 ILE 9 0.318 -2.703 -6.929 86 HG21 ILE 9 HG21 ILE 9 -1.832 0.135 -8.238 87 HG22 ILE 9 HG22 ILE 9 -3.046 -1.164 -8.063 88 HG23 ILE 9 HG23 ILE 9 -2.999 0.154 -6.886 89 HD11 ILE 9 HD11 ILE 9 -1.802 -4.021 -7.321 90 HD12 ILE 9 HD12 ILE 9 -2.042 -3.129 -8.855 91 HD13 ILE 9 HD13 ILE 9 -0.603 -4.149 -8.636 92 H ALA 10 H ALA 10 -2.030 -0.574 -3.765 93 HA ALA 10 HA ALA 10 -3.441 1.875 -4.077 94 HB1 ALA 10 HB1 ALA 10 -2.978 0.235 -1.504 95 HB2 ALA 10 HB2 ALA 10 -4.172 1.554 -1.696 96 HB3 ALA 10 HB3 ALA 10 -4.332 0.058 -2.662 97 H ALA 11 H ALA 11 -0.567 1.037 -1.935 98 HA ALA 11 HA ALA 11 -0.418 3.493 -0.636 99 HB1 ALA 11 HB1 ALA 11 1.111 1.610 -0.046 100 HB2 ALA 11 HB2 ALA 11 1.970 1.797 -1.606 101 HB3 ALA 11 HB3 ALA 11 2.050 3.093 -0.377 102 H LYS 12 H LYS 12 0.924 2.633 -3.933 103 HA LYS 12 HA LYS 12 2.342 5.028 -4.314 104 HB2 LYS 12 HB2 LYS 12 2.484 3.130 -5.904 105 HB3 LYS 12 HB3 LYS 12 0.792 3.382 -6.408 106 HG2 LYS 12 HG2 LYS 12 1.373 5.654 -7.304 107 HG3 LYS 12 HG3 LYS 12 3.067 5.428 -6.783 108 HD2 LYS 12 HD2 LYS 12 3.268 3.449 -8.328 109 HD3 LYS 12 HD3 LYS 12 1.563 3.656 -8.820 110 HE2 LYS 12 HE2 LYS 12 2.100 5.945 -9.722 111 HE3 LYS 12 HE3 LYS 12 3.807 5.732 -9.243 112 HZ1 LYS 12 HZ1 LYS 12 2.304 4.000 -11.237 113 HZ2 LYS 12 HZ2 LYS 12 3.973 3.792 -10.769 114 HZ3 LYS 12 HZ3 LYS 12 3.482 5.223 -11.623 115 H VAL 13 H VAL 13 -1.178 4.317 -5.061 116 HA VAL 13 HA VAL 13 -1.541 7.019 -6.091 117 HB VAL 13 HB VAL 13 -3.610 4.894 -5.289 118 HG11 VAL 13 HG11 VAL 13 -5.243 6.320 -6.569 119 HG12 VAL 13 HG12 VAL 13 -4.627 7.173 -5.134 120 HG13 VAL 13 HG13 VAL 13 -3.993 7.584 -6.754 121 HG21 VAL 13 HG21 VAL 13 -2.573 5.790 -8.056 122 HG22 VAL 13 HG22 VAL 13 -2.169 4.244 -7.262 123 HG23 VAL 13 HG23 VAL 13 -3.846 4.574 -7.757 124 H GLY 14 H GLY 14 -2.628 5.296 -3.033 125 HA2 GLY 14 HA2 GLY 14 -3.794 7.508 -1.822 126 HA3 GLY 14 HA3 GLY 14 -3.015 6.185 -0.919 127 H SER 15 H SER 15 -0.230 6.868 -2.214 128 HA SER 15 HA SER 15 0.644 8.500 -0.088 129 HB2 SER 15 HB2 SER 15 2.229 7.155 -1.455 130 HB3 SER 15 HB3 SER 15 1.954 8.209 -2.869 131 HG SER 15 HG SER 15 2.885 9.949 -1.511 132 H ASN 16 H ASN 16 -0.249 9.408 -3.535 133 HA ASN 16 HA ASN 16 0.331 12.156 -3.233 134 HB2 ASN 16 HB2 ASN 16 -0.258 11.180 -5.458 135 HB3 ASN 16 HB3 ASN 16 -1.909 10.829 -4.893 136 HD21 ASN 16 HD21 ASN 16 0.425 13.646 -5.297 137 HD22 ASN 16 HD22 ASN 16 -0.821 14.784 -5.653 138 H LEU 17 H LEU 17 -2.706 10.288 -2.445 139 HA LEU 17 HA LEU 17 -4.211 12.665 -1.848 140 HB2 LEU 17 HB2 LEU 17 -4.641 9.860 -0.669 141 HB3 LEU 17 HB3 LEU 17 -5.803 11.206 -0.652 142 HG LEU 17 HG LEU 17 -4.832 9.653 -3.149 143 HD11 LEU 17 HD11 LEU 17 -6.439 8.414 -1.690 144 HD12 LEU 17 HD12 LEU 17 -7.168 8.843 -3.259 145 HD13 LEU 17 HD13 LEU 17 -7.590 9.778 -1.796 146 HD21 LEU 17 HD21 LEU 17 -6.590 11.000 -4.393 147 HD22 LEU 17 HD22 LEU 17 -5.218 11.992 -3.865 148 HD23 LEU 17 HD23 LEU 17 -6.761 12.047 -2.955 149 H LEU 18 H1 LEU 18 -2.350 10.346 0.277 150 HA LEU 18 HA LEU 18 -1.542 10.630 2.407 151 HB2 LEU 18 HB2 LEU 18 -0.479 12.583 0.955 152 HB3 LEU 18 HB3 LEU 18 -1.517 13.656 1.916 153 HG LEU 18 HG LEU 18 0.620 11.694 2.994 154 HD11 LEU 18 HD11 LEU 18 0.632 14.773 2.859 155 HD12 LEU 18 HD12 LEU 18 1.591 13.681 1.816 156 HD13 LEU 18 HD13 LEU 18 1.915 13.749 3.567 157 HD21 LEU 18 HD21 LEU 18 0.251 12.848 5.223 158 HD22 LEU 18 HD22 LEU 18 -1.173 11.927 4.701 159 HD23 LEU 18 HD23 LEU 18 -1.151 13.708 4.524 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -10.740 -11.979 -4.792 2 HA2 GLY 1 HA2 GLY 1 -9.083 -13.109 -6.300 3 HA3 GLY 1 HA3 GLY 1 -8.483 -11.473 -6.684 4 H LEU 2 H LEU 2 -7.906 -10.082 -4.581 5 HA LEU 2 HA LEU 2 -6.361 -9.894 -2.837 6 HB2 LEU 2 HB2 LEU 2 -7.855 -12.401 -1.872 7 HB3 LEU 2 HB3 LEU 2 -6.920 -11.297 -0.843 8 HG LEU 2 HG LEU 2 -9.429 -10.444 -2.433 9 HD11 LEU 2 HD11 LEU 2 -9.216 -11.305 0.519 10 HD12 LEU 2 HD12 LEU 2 -10.056 -12.195 -0.786 11 HD13 LEU 2 HD13 LEU 2 -10.666 -10.606 -0.262 12 HD21 LEU 2 HD21 LEU 2 -9.444 -8.497 -0.823 13 HD22 LEU 2 HD22 LEU 2 -7.960 -8.505 -1.797 14 HD23 LEU 2 HD23 LEU 2 -7.919 -9.083 -0.105 15 H LEU 3 H LEU 3 -4.972 -10.732 -4.923 16 HA LEU 3 HA LEU 3 -3.098 -12.639 -3.674 17 HB2 LEU 3 HB2 LEU 3 -3.213 -14.209 -5.678 18 HB3 LEU 3 HB3 LEU 3 -4.620 -14.213 -4.596 19 HG LEU 3 HG LEU 3 -5.905 -12.756 -6.191 20 HD11 LEU 3 HD11 LEU 3 -5.083 -12.527 -8.561 21 HD12 LEU 3 HD12 LEU 3 -3.480 -13.126 -8.052 22 HD13 LEU 3 HD13 LEU 3 -4.127 -11.581 -7.404 23 HD21 LEU 3 HD21 LEU 3 -6.169 -15.230 -6.220 24 HD22 LEU 3 HD22 LEU 3 -4.828 -15.369 -7.397 25 HD23 LEU 3 HD23 LEU 3 -6.352 -14.553 -7.856 26 H LYS 4 H LYS 4 -2.734 -9.890 -4.139 27 HA LYS 4 HA LYS 4 -0.272 -10.159 -5.738 28 HB2 LYS 4 HB2 LYS 4 -2.717 -8.462 -6.514 29 HB3 LYS 4 HB3 LYS 4 -1.127 -7.732 -6.760 30 HG2 LYS 4 HG2 LYS 4 -0.420 -9.738 -8.152 31 HG3 LYS 4 HG3 LYS 4 -2.088 -10.356 -8.012 32 HD2 LYS 4 HD2 LYS 4 -2.951 -8.276 -9.139 33 HD3 LYS 4 HD3 LYS 4 -1.290 -7.629 -9.209 34 HE2 LYS 4 HE2 LYS 4 -1.860 -8.501 -11.399 35 HE3 LYS 4 HE3 LYS 4 -0.593 -9.537 -10.695 36 HZ1 LYS 4 HZ1 LYS 4 -2.276 -11.261 -10.194 37 HZ2 LYS 4 HZ2 LYS 4 -2.413 -10.796 -11.845 38 HZ3 LYS 4 HZ3 LYS 4 -3.565 -10.192 -10.695 39 HA PRO 5 HA PRO 5 0.840 -7.207 -2.513 40 HB2 PRO 5 HB2 PRO 5 2.874 -5.723 -3.636 41 HB3 PRO 5 HB3 PRO 5 3.048 -7.483 -3.372 42 HG2 PRO 5 HG2 PRO 5 2.130 -6.146 -5.973 43 HG3 PRO 5 HG3 PRO 5 3.543 -7.233 -5.772 44 HD2 PRO 5 HD2 PRO 5 1.159 -8.263 -6.596 45 HD3 PRO 5 HD3 PRO 5 2.066 -9.156 -5.323 46 H LEU 6 H LEU 6 -1.548 -6.477 -2.998 47 HA LEU 6 HA LEU 6 -2.049 -4.243 -4.666 48 HB2 LEU 6 HB2 LEU 6 -3.901 -5.555 -3.666 49 HB3 LEU 6 HB3 LEU 6 -3.358 -5.131 -2.023 50 HG LEU 6 HG LEU 6 -3.949 -2.737 -2.392 51 HD11 LEU 6 HD11 LEU 6 -4.988 -3.688 -5.146 52 HD12 LEU 6 HD12 LEU 6 -3.678 -2.509 -4.855 53 HD13 LEU 6 HD13 LEU 6 -5.344 -2.097 -4.416 54 HD21 LEU 6 HD21 LEU 6 -6.251 -4.677 -3.034 55 HD22 LEU 6 HD22 LEU 6 -6.422 -3.031 -2.357 56 HD23 LEU 6 HD23 LEU 6 -5.629 -4.307 -1.398 57 H LEU 7 H LEU 7 -0.882 -4.515 -1.220 58 HA LEU 7 HA LEU 7 -1.166 -1.926 -0.416 59 HB2 LEU 7 HB2 LEU 7 -0.233 -3.704 0.974 60 HB3 LEU 7 HB3 LEU 7 1.306 -3.703 0.087 61 HG LEU 7 HG LEU 7 0.292 -1.143 1.467 62 HD11 LEU 7 HD11 LEU 7 0.184 -2.901 3.218 63 HD12 LEU 7 HD12 LEU 7 1.544 -1.802 3.543 64 HD13 LEU 7 HD13 LEU 7 1.855 -3.417 2.839 65 HD21 LEU 7 HD21 LEU 7 2.748 -0.653 1.707 66 HD22 LEU 7 HD22 LEU 7 2.356 -0.894 -0.000 67 HD23 LEU 7 HD23 LEU 7 3.147 -2.201 0.915 68 H LYS 8 H LYS 8 1.616 -3.116 -2.528 69 HA LYS 8 HA LYS 8 2.911 -0.591 -2.584 70 HB2 LYS 8 HB2 LYS 8 2.756 -2.722 -4.806 71 HB3 LYS 8 HB3 LYS 8 3.768 -1.255 -4.886 72 HG2 LYS 8 HG2 LYS 8 4.987 -1.957 -2.807 73 HG3 LYS 8 HG3 LYS 8 4.046 -3.472 -2.763 74 HD2 LYS 8 HD2 LYS 8 4.942 -4.091 -5.040 75 HD3 LYS 8 HD3 LYS 8 5.869 -2.566 -5.088 76 HE2 LYS 8 HE2 LYS 8 7.143 -3.285 -3.030 77 HE3 LYS 8 HE3 LYS 8 6.259 -4.838 -3.045 78 HZ1 LYS 8 HZ1 LYS 8 7.194 -5.307 -5.300 79 HZ2 LYS 8 HZ2 LYS 8 8.458 -5.056 -4.129 80 HZ3 LYS 8 HZ3 LYS 8 8.067 -3.797 -5.262 81 H ILE 9 H ILE 9 0.289 -1.909 -4.759 82 HA ILE 9 HA ILE 9 0.424 0.415 -6.478 83 HB ILE 9 HB ILE 9 -1.737 -1.725 -6.148 84 HG12 ILE 9 HG11 ILE 9 0.275 -1.302 -8.441 85 HG13 ILE 9 HG12 ILE 9 0.604 -2.375 -7.066 86 HG21 ILE 9 HG21 ILE 9 -2.731 -0.826 -8.278 87 HG22 ILE 9 HG22 ILE 9 -2.788 0.381 -6.987 88 HG23 ILE 9 HG23 ILE 9 -1.544 0.509 -8.261 89 HD11 ILE 9 HD11 ILE 9 -1.686 -2.766 -9.086 90 HD12 ILE 9 HD12 ILE 9 -0.210 -3.741 -8.904 91 HD13 ILE 9 HD13 ILE 9 -1.438 -3.745 -7.607 92 H ALA 10 H ALA 10 -2.020 -0.609 -3.935 93 HA ALA 10 HA ALA 10 -3.519 1.760 -4.043 94 HB1 ALA 10 HB1 ALA 10 -4.254 -0.205 -2.699 95 HB2 ALA 10 HB2 ALA 10 -2.886 0.023 -1.567 96 HB3 ALA 10 HB3 ALA 10 -4.186 1.250 -1.665 97 H ALA 11 H ALA 11 -0.468 1.047 -2.157 98 HA ALA 11 HA ALA 11 -0.526 3.460 -0.668 99 HB1 ALA 11 HB1 ALA 11 1.949 3.171 -0.384 100 HB2 ALA 11 HB2 ALA 11 1.069 1.648 -0.077 101 HB3 ALA 11 HB3 ALA 11 1.947 1.880 -1.620 102 H LYS 12 H LYS 12 0.971 2.706 -3.947 103 HA LYS 12 HA LYS 12 2.287 5.146 -4.243 104 HB2 LYS 12 HB2 LYS 12 2.483 3.293 -5.901 105 HB3 LYS 12 HB3 LYS 12 0.813 3.577 -6.454 106 HG2 LYS 12 HG2 LYS 12 1.450 5.912 -7.166 107 HG3 LYS 12 HG3 LYS 12 3.132 5.601 -6.647 108 HD2 LYS 12 HD2 LYS 12 3.199 3.645 -8.296 109 HD3 LYS 12 HD3 LYS 12 1.580 4.122 -8.874 110 HE2 LYS 12 HE2 LYS 12 4.155 5.825 -9.014 111 HE3 LYS 12 HE3 LYS 12 3.386 4.956 -10.366 112 HZ1 LYS 12 HZ1 LYS 12 1.355 6.407 -10.050 113 HZ2 LYS 12 HZ2 LYS 12 2.787 7.278 -10.520 114 HZ3 LYS 12 HZ3 LYS 12 2.253 7.354 -8.887 115 H VAL 13 H VAL 13 -1.172 4.366 -5.153 116 HA VAL 13 HA VAL 13 -1.624 7.082 -6.081 117 HB VAL 13 HB VAL 13 -3.591 4.833 -5.337 118 HG11 VAL 13 HG11 VAL 13 -4.159 7.529 -6.704 119 HG12 VAL 13 HG12 VAL 13 -5.328 6.192 -6.531 120 HG13 VAL 13 HG13 VAL 13 -4.734 7.042 -5.084 121 HG21 VAL 13 HG21 VAL 13 -3.839 4.601 -7.817 122 HG22 VAL 13 HG22 VAL 13 -2.651 5.910 -8.077 123 HG23 VAL 13 HG23 VAL 13 -2.134 4.359 -7.363 124 H GLY 14 H GLY 14 -2.562 5.253 -3.052 125 HA2 GLY 14 HA2 GLY 14 -3.849 7.473 -1.857 126 HA3 GLY 14 HA3 GLY 14 -3.199 6.071 -0.972 127 H SER 15 H SER 15 -0.328 6.974 -2.285 128 HA SER 15 HA SER 15 0.109 9.141 -0.228 129 HB2 SER 15 HB2 SER 15 1.159 6.905 0.309 130 HB3 SER 15 HB3 SER 15 2.078 7.014 -1.228 131 HG SER 15 HG SER 15 3.279 7.950 0.611 132 H ASN 16 H ASN 16 -0.936 9.788 -2.814 133 HA ASN 16 HA ASN 16 1.186 11.560 -3.622 134 HB2 ASN 16 HB2 ASN 16 2.031 9.474 -4.754 135 HB3 ASN 16 HB3 ASN 16 0.490 9.324 -5.626 136 HD21 ASN 16 HD21 ASN 16 2.511 9.357 -7.317 137 HD22 ASN 16 HD22 ASN 16 2.755 10.912 -8.028 138 H LEU 17 H LEU 17 -1.774 9.904 -5.128 139 HA LEU 17 HA LEU 17 -2.437 12.556 -6.274 140 HB2 LEU 17 HB2 LEU 17 -3.980 9.958 -6.647 141 HB3 LEU 17 HB3 LEU 17 -4.094 11.452 -7.597 142 HG LEU 17 HG LEU 17 -1.720 9.471 -7.507 143 HD11 LEU 17 HD11 LEU 17 -2.272 9.086 -9.895 144 HD12 LEU 17 HD12 LEU 17 -3.600 10.278 -9.808 145 HD13 LEU 17 HD13 LEU 17 -3.701 8.753 -8.884 146 HD21 LEU 17 HD21 LEU 17 -0.667 10.924 -9.300 147 HD22 LEU 17 HD22 LEU 17 -0.733 11.731 -7.721 148 HD23 LEU 17 HD23 LEU 17 -1.916 12.166 -8.994 149 H LEU 18 H1 LEU 18 -4.147 10.007 -4.198 150 HA LEU 18 HA LEU 18 -6.083 10.331 -2.926 151 HB2 LEU 18 HB2 LEU 18 -4.341 12.755 -2.192 152 HB3 LEU 18 HB3 LEU 18 -5.792 12.304 -1.275 153 HG LEU 18 HG LEU 18 -3.443 10.354 -1.660 154 HD11 LEU 18 HD11 LEU 18 -3.909 12.317 0.669 155 HD12 LEU 18 HD12 LEU 18 -2.574 12.386 -0.520 156 HD13 LEU 18 HD13 LEU 18 -2.669 11.031 0.630 157 HD21 LEU 18 HD21 LEU 18 -4.456 9.289 0.440 158 HD22 LEU 18 HD22 LEU 18 -5.585 9.249 -0.924 159 HD23 LEU 18 HD23 LEU 18 -5.784 10.466 0.368 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -6.668 -8.716 -6.860 2 HA2 GLY 1 HA2 GLY 1 -8.950 -8.383 -5.879 3 HA3 GLY 1 HA3 GLY 1 -9.142 -10.153 -5.994 4 H LEU 2 H LEU 2 -7.143 -11.437 -4.937 5 HA LEU 2 HA LEU 2 -6.035 -10.035 -2.584 6 HB2 LEU 2 HB2 LEU 2 -8.515 -10.894 -2.191 7 HB3 LEU 2 HB3 LEU 2 -7.795 -12.511 -2.104 8 HG LEU 2 HG LEU 2 -7.153 -10.050 -0.331 9 HD11 LEU 2 HD11 LEU 2 -9.394 -11.077 0.128 10 HD12 LEU 2 HD12 LEU 2 -8.280 -11.341 1.493 11 HD13 LEU 2 HD13 LEU 2 -8.626 -12.675 0.355 12 HD21 LEU 2 HD21 LEU 2 -5.094 -11.449 -0.504 13 HD22 LEU 2 HD22 LEU 2 -6.038 -12.914 -0.075 14 HD23 LEU 2 HD23 LEU 2 -5.810 -11.604 1.114 15 H LEU 3 H LEU 3 -4.463 -10.758 -4.570 16 HA LEU 3 HA LEU 3 -2.851 -12.837 -3.332 17 HB2 LEU 3 HB2 LEU 3 -2.851 -14.407 -5.316 18 HB3 LEU 3 HB3 LEU 3 -4.341 -14.388 -4.392 19 HG LEU 3 HG LEU 3 -4.712 -12.371 -6.453 20 HD11 LEU 3 HD11 LEU 3 -4.420 -13.659 -8.550 21 HD12 LEU 3 HD12 LEU 3 -3.657 -15.001 -7.651 22 HD13 LEU 3 HD13 LEU 3 -2.848 -13.410 -7.752 23 HD21 LEU 3 HD21 LEU 3 -6.556 -13.838 -7.198 24 HD22 LEU 3 HD22 LEU 3 -6.505 -13.798 -5.415 25 HD23 LEU 3 HD23 LEU 3 -5.866 -15.217 -6.294 26 H LYS 4 H LYS 4 -2.255 -10.153 -3.737 27 HA LYS 4 HA LYS 4 0.183 -10.458 -5.299 28 HB2 LYS 4 HB2 LYS 4 -2.276 -8.991 -6.393 29 HB3 LYS 4 HB3 LYS 4 -0.755 -8.111 -6.529 30 HG2 LYS 4 HG2 LYS 4 0.245 -10.228 -7.688 31 HG3 LYS 4 HG3 LYS 4 -1.436 -10.815 -7.815 32 HD2 LYS 4 HD2 LYS 4 -2.048 -8.747 -9.108 33 HD3 LYS 4 HD3 LYS 4 -0.378 -8.141 -8.927 34 HE2 LYS 4 HE2 LYS 4 0.492 -10.157 -10.173 35 HE3 LYS 4 HE3 LYS 4 -1.187 -10.719 -10.404 36 HZ1 LYS 4 HZ1 LYS 4 -0.024 -8.103 -11.432 37 HZ2 LYS 4 HZ2 LYS 4 -1.671 -8.637 -11.663 38 HZ3 LYS 4 HZ3 LYS 4 -0.355 -9.520 -12.383 39 HA PRO 5 HA PRO 5 1.132 -7.142 -2.380 40 HB2 PRO 5 HB2 PRO 5 3.088 -5.660 -3.631 41 HB3 PRO 5 HB3 PRO 5 3.361 -7.376 -3.193 42 HG2 PRO 5 HG2 PRO 5 2.407 -6.352 -5.918 43 HG3 PRO 5 HG3 PRO 5 3.869 -7.339 -5.602 44 HD2 PRO 5 HD2 PRO 5 1.556 -8.561 -6.344 45 HD3 PRO 5 HD3 PRO 5 2.489 -9.288 -4.987 46 H LEU 6 H LEU 6 -1.260 -6.596 -2.899 47 HA LEU 6 HA LEU 6 -1.842 -4.534 -4.831 48 HB2 LEU 6 HB2 LEU 6 -3.455 -6.205 -3.696 49 HB3 LEU 6 HB3 LEU 6 -3.427 -5.146 -2.264 50 HG LEU 6 HG LEU 6 -4.401 -4.438 -5.118 51 HD11 LEU 6 HD11 LEU 6 -5.988 -4.880 -2.510 52 HD12 LEU 6 HD12 LEU 6 -5.900 -6.030 -3.878 53 HD13 LEU 6 HD13 LEU 6 -6.678 -4.444 -4.099 54 HD21 LEU 6 HD21 LEU 6 -5.382 -2.349 -3.958 55 HD22 LEU 6 HD22 LEU 6 -3.627 -2.344 -4.164 56 HD23 LEU 6 HD23 LEU 6 -4.332 -2.721 -2.557 57 H LEU 7 H LEU 7 -1.064 -4.640 -1.259 58 HA LEU 7 HA LEU 7 -1.309 -2.108 -0.485 59 HB2 LEU 7 HB2 LEU 7 -0.245 -3.820 0.946 60 HB3 LEU 7 HB3 LEU 7 1.185 -3.862 -0.110 61 HG LEU 7 HG LEU 7 1.786 -1.520 0.568 62 HD11 LEU 7 HD11 LEU 7 -0.681 -1.716 2.415 63 HD12 LEU 7 HD12 LEU 7 -0.449 -0.545 1.084 64 HD13 LEU 7 HD13 LEU 7 0.576 -0.454 2.528 65 HD21 LEU 7 HD21 LEU 7 2.702 -3.466 1.843 66 HD22 LEU 7 HD22 LEU 7 1.303 -3.402 2.959 67 HD23 LEU 7 HD23 LEU 7 2.471 -2.047 2.901 68 H LYS 8 H LYS 8 1.561 -3.157 -2.578 69 HA LYS 8 HA LYS 8 2.741 -0.581 -2.557 70 HB2 LYS 8 HB2 LYS 8 2.732 -2.795 -4.688 71 HB3 LYS 8 HB3 LYS 8 3.527 -1.250 -5.025 72 HG2 LYS 8 HG2 LYS 8 4.296 -3.014 -2.627 73 HG3 LYS 8 HG3 LYS 8 5.071 -3.054 -4.230 74 HD2 LYS 8 HD2 LYS 8 5.594 -0.532 -3.965 75 HD3 LYS 8 HD3 LYS 8 5.025 -0.666 -2.284 76 HE2 LYS 8 HE2 LYS 8 7.402 -0.796 -2.218 77 HE3 LYS 8 HE3 LYS 8 6.800 -2.436 -1.865 78 HZ1 LYS 8 HZ1 LYS 8 7.811 -1.485 -4.580 79 HZ2 LYS 8 HZ2 LYS 8 7.416 -3.133 -4.154 80 HZ3 LYS 8 HZ3 LYS 8 8.762 -2.354 -3.416 81 H ILE 9 H ILE 9 0.226 -1.916 -4.833 82 HA ILE 9 HA ILE 9 0.289 0.454 -6.458 83 HB ILE 9 HB ILE 9 -2.067 -1.483 -6.102 84 HG12 ILE 9 HG11 ILE 9 -0.241 -2.870 -6.888 85 HG13 ILE 9 HG12 ILE 9 -1.298 -2.529 -8.259 86 HG21 ILE 9 HG21 ILE 9 -1.489 0.612 -8.286 87 HG22 ILE 9 HG22 ILE 9 -2.793 -0.609 -8.351 88 HG23 ILE 9 HG23 ILE 9 -2.807 0.640 -7.087 89 HD11 ILE 9 HD11 ILE 9 0.366 -0.743 -9.044 90 HD12 ILE 9 HD12 ILE 9 1.444 -1.223 -7.696 91 HD13 ILE 9 HD13 ILE 9 1.040 -2.390 -8.975 92 H ALA 10 H ALA 10 -1.899 -0.547 -3.700 93 HA ALA 10 HA ALA 10 -3.461 1.821 -3.806 94 HB1 ALA 10 HB1 ALA 10 -4.131 -0.124 -2.395 95 HB2 ALA 10 HB2 ALA 10 -2.711 0.121 -1.336 96 HB3 ALA 10 HB3 ALA 10 -4.008 1.351 -1.395 97 H ALA 11 H ALA 11 -0.369 1.071 -2.021 98 HA ALA 11 HA ALA 11 -0.279 3.492 -0.570 99 HB1 ALA 11 HB1 ALA 11 2.101 1.847 -1.646 100 HB2 ALA 11 HB2 ALA 11 2.183 3.103 -0.378 101 HB3 ALA 11 HB3 ALA 11 1.276 1.593 -0.081 102 H LYS 12 H LYS 12 0.984 2.684 -3.929 103 HA LYS 12 HA LYS 12 2.327 5.131 -4.290 104 HB2 LYS 12 HB2 LYS 12 2.530 3.280 -5.916 105 HB3 LYS 12 HB3 LYS 12 0.825 3.459 -6.404 106 HG2 LYS 12 HG2 LYS 12 1.272 5.774 -7.233 107 HG3 LYS 12 HG3 LYS 12 2.985 5.638 -6.738 108 HD2 LYS 12 HD2 LYS 12 3.235 3.670 -8.322 109 HD3 LYS 12 HD3 LYS 12 1.550 3.906 -8.857 110 HE2 LYS 12 HE2 LYS 12 3.865 5.934 -9.157 111 HE3 LYS 12 HE3 LYS 12 3.197 4.899 -10.444 112 HZ1 LYS 12 HZ1 LYS 12 0.987 6.063 -10.119 113 HZ2 LYS 12 HZ2 LYS 12 2.269 7.088 -10.701 114 HZ3 LYS 12 HZ3 LYS 12 1.786 7.203 -9.054 115 H VAL 13 H VAL 13 -1.167 4.300 -5.044 116 HA VAL 13 HA VAL 13 -1.591 6.962 -6.113 117 HB VAL 13 HB VAL 13 -3.619 4.814 -5.280 118 HG11 VAL 13 HG11 VAL 13 -5.272 6.173 -6.617 119 HG12 VAL 13 HG12 VAL 13 -4.703 7.067 -5.187 120 HG13 VAL 13 HG13 VAL 13 -4.049 7.463 -6.804 121 HG21 VAL 13 HG21 VAL 13 -3.826 4.436 -7.744 122 HG22 VAL 13 HG22 VAL 13 -2.583 5.678 -8.061 123 HG23 VAL 13 HG23 VAL 13 -2.146 4.161 -7.230 124 H GLY 14 H GLY 14 -2.623 5.341 -2.974 125 HA2 GLY 14 HA2 GLY 14 -3.908 7.560 -1.884 126 HA3 GLY 14 HA3 GLY 14 -3.021 6.363 -0.906 127 H SER 15 H SER 15 -0.372 6.672 -1.636 128 HA SER 15 HA SER 15 0.337 8.946 -0.096 129 HB2 SER 15 HB2 SER 15 1.858 6.979 -0.403 130 HB3 SER 15 HB3 SER 15 2.131 7.443 -2.108 131 HG SER 15 HG SER 15 3.060 9.460 -1.203 132 H ASN 16 H ASN 16 0.172 8.483 -3.738 133 HA ASN 16 HA ASN 16 1.482 10.872 -4.397 134 HB2 ASN 16 HB2 ASN 16 0.755 9.177 -6.098 135 HB3 ASN 16 HB3 ASN 16 -0.949 9.634 -5.828 136 HD21 ASN 16 HD21 ASN 16 -0.747 9.941 -8.311 137 HD22 ASN 16 HD22 ASN 16 -0.215 11.497 -8.838 138 H LEU 17 H LEU 17 -2.004 10.362 -3.456 139 HA LEU 17 HA LEU 17 -2.899 12.801 -4.469 140 HB2 LEU 17 HB2 LEU 17 -3.928 11.194 -2.082 141 HB3 LEU 17 HB3 LEU 17 -4.800 12.612 -2.696 142 HG LEU 17 HG LEU 17 -4.148 10.219 -4.523 143 HD11 LEU 17 HD11 LEU 17 -6.472 9.411 -4.098 144 HD12 LEU 17 HD12 LEU 17 -6.701 10.689 -2.866 145 HD13 LEU 17 HD13 LEU 17 -5.506 9.388 -2.601 146 HD21 LEU 17 HD21 LEU 17 -6.253 12.469 -4.732 147 HD22 LEU 17 HD22 LEU 17 -6.058 11.120 -5.880 148 HD23 LEU 17 HD23 LEU 17 -4.785 12.345 -5.738 149 H LEU 18 H1 LEU 18 -1.876 12.272 -0.961 150 HA LEU 18 HA LEU 18 -1.659 13.903 0.710 151 HB2 LEU 18 HB2 LEU 18 -0.472 15.413 -1.681 152 HB3 LEU 18 HB3 LEU 18 -0.800 16.249 -0.147 153 HG LEU 18 HG LEU 18 0.693 14.763 1.105 154 HD11 LEU 18 HD11 LEU 18 1.130 13.337 -1.591 155 HD12 LEU 18 HD12 LEU 18 0.430 12.638 -0.087 156 HD13 LEU 18 HD13 LEU 18 2.151 13.084 -0.140 157 HD21 LEU 18 HD21 LEU 18 1.658 16.802 -0.000 158 HD22 LEU 18 HD22 LEU 18 2.046 15.836 -1.454 159 HD23 LEU 18 HD23 LEU 18 2.855 15.484 0.099 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 4.189 -9.980 -1.302 2 HA2 GLY 1 HA2 GLY 1 6.299 -9.639 -2.587 3 HA3 GLY 1 HA3 GLY 1 6.685 -11.336 -2.224 4 H LEU 2 H LEU 2 5.481 -13.063 -3.407 5 HA LEU 2 HA LEU 2 4.250 -12.008 -5.903 6 HB2 LEU 2 HB2 LEU 2 6.142 -13.697 -5.965 7 HB3 LEU 2 HB3 LEU 2 5.078 -14.848 -5.127 8 HG LEU 2 HG LEU 2 3.453 -14.671 -7.133 9 HD11 LEU 2 HD11 LEU 2 4.425 -13.818 -9.308 10 HD12 LEU 2 HD12 LEU 2 5.806 -13.134 -8.410 11 HD13 LEU 2 HD13 LEU 2 4.151 -12.503 -8.155 12 HD21 LEU 2 HD21 LEU 2 4.833 -16.160 -8.595 13 HD22 LEU 2 HD22 LEU 2 5.044 -16.583 -6.879 14 HD23 LEU 2 HD23 LEU 2 6.312 -15.653 -7.729 15 H LEU 3 H LEU 3 2.395 -11.264 -4.306 16 HA LEU 3 HA LEU 3 0.262 -13.205 -4.792 17 HB2 LEU 3 HB2 LEU 3 -0.583 -13.231 -2.465 18 HB3 LEU 3 HB3 LEU 3 0.905 -14.162 -2.651 19 HG LEU 3 HG LEU 3 1.251 -11.262 -1.770 20 HD11 LEU 3 HD11 LEU 3 0.800 -11.836 0.625 21 HD12 LEU 3 HD12 LEU 3 0.197 -13.445 0.129 22 HD13 LEU 3 HD13 LEU 3 -0.677 -11.963 -0.362 23 HD21 LEU 3 HD21 LEU 3 2.584 -13.894 -0.865 24 HD22 LEU 3 HD22 LEU 3 3.065 -12.248 -0.379 25 HD23 LEU 3 HD23 LEU 3 3.245 -12.763 -2.075 26 H LYS 4 H LYS 4 0.294 -11.075 -6.218 27 HA LYS 4 HA LYS 4 -0.726 -9.028 -6.670 28 HB2 LYS 4 HB2 LYS 4 -2.691 -9.932 -4.501 29 HB3 LYS 4 HB3 LYS 4 -2.855 -8.502 -5.550 30 HG2 LYS 4 HG2 LYS 4 -2.799 -10.000 -7.581 31 HG3 LYS 4 HG3 LYS 4 -2.704 -11.426 -6.508 32 HD2 LYS 4 HD2 LYS 4 -4.919 -10.789 -5.480 33 HD3 LYS 4 HD3 LYS 4 -4.982 -9.330 -6.505 34 HE2 LYS 4 HE2 LYS 4 -5.010 -10.777 -8.565 35 HE3 LYS 4 HE3 LYS 4 -4.997 -12.234 -7.532 36 HZ1 LYS 4 HZ1 LYS 4 -7.155 -10.088 -7.550 37 HZ2 LYS 4 HZ2 LYS 4 -7.147 -11.504 -6.529 38 HZ3 LYS 4 HZ3 LYS 4 -7.281 -11.672 -8.255 39 HA PRO 5 HA PRO 5 1.208 -7.032 -2.868 40 HB2 PRO 5 HB2 PRO 5 3.152 -5.537 -4.084 41 HB3 PRO 5 HB3 PRO 5 3.354 -7.303 -3.862 42 HG2 PRO 5 HG2 PRO 5 2.313 -5.909 -6.377 43 HG3 PRO 5 HG3 PRO 5 3.710 -7.026 -6.276 44 HD2 PRO 5 HD2 PRO 5 1.238 -7.936 -6.991 45 HD3 PRO 5 HD3 PRO 5 2.220 -8.947 -5.863 46 H LEU 6 H LEU 6 -1.206 -6.387 -3.220 47 HA LEU 6 HA LEU 6 -1.797 -4.087 -4.860 48 HB2 LEU 6 HB2 LEU 6 -3.506 -5.672 -4.216 49 HB3 LEU 6 HB3 LEU 6 -3.279 -5.381 -2.481 50 HG LEU 6 HG LEU 6 -4.046 -3.019 -4.273 51 HD11 LEU 6 HD11 LEU 6 -6.026 -5.117 -3.193 52 HD12 LEU 6 HD12 LEU 6 -5.670 -4.794 -4.916 53 HD13 LEU 6 HD13 LEU 6 -6.479 -3.552 -3.930 54 HD21 LEU 6 HD21 LEU 6 -4.755 -3.771 -1.352 55 HD22 LEU 6 HD22 LEU 6 -5.246 -2.276 -2.179 56 HD23 LEU 6 HD23 LEU 6 -3.529 -2.569 -1.824 57 H LEU 7 H LEU 7 -0.717 -4.606 -1.414 58 HA LEU 7 HA LEU 7 -1.030 -2.107 -0.400 59 HB2 LEU 7 HB2 LEU 7 0.173 -3.923 0.831 60 HB3 LEU 7 HB3 LEU 7 1.531 -3.816 -0.313 61 HG LEU 7 HG LEU 7 2.009 -1.453 0.508 62 HD11 LEU 7 HD11 LEU 7 -0.242 -0.784 1.381 63 HD12 LEU 7 HD12 LEU 7 0.957 -0.716 2.686 64 HD13 LEU 7 HD13 LEU 7 -0.176 -2.094 2.597 65 HD21 LEU 7 HD21 LEU 7 1.990 -3.629 2.687 66 HD22 LEU 7 HD22 LEU 7 3.004 -2.157 2.686 67 HD23 LEU 7 HD23 LEU 7 3.250 -3.404 1.438 68 H LYS 8 H LYS 8 1.636 -3.088 -2.746 69 HA LYS 8 HA LYS 8 2.888 -0.529 -2.716 70 HB2 LYS 8 HB2 LYS 8 2.704 -2.547 -5.040 71 HB3 LYS 8 HB3 LYS 8 3.718 -1.081 -5.042 72 HG2 LYS 8 HG2 LYS 8 4.993 -1.915 -3.060 73 HG3 LYS 8 HG3 LYS 8 4.009 -3.400 -3.042 74 HD2 LYS 8 HD2 LYS 8 4.825 -3.942 -5.391 75 HD3 LYS 8 HD3 LYS 8 5.784 -2.440 -5.378 76 HE2 LYS 8 HE2 LYS 8 7.316 -4.231 -4.911 77 HE3 LYS 8 HE3 LYS 8 7.096 -3.339 -3.385 78 HZ1 LYS 8 HZ1 LYS 8 7.094 -5.786 -3.074 79 HZ2 LYS 8 HZ2 LYS 8 5.740 -5.955 -4.145 80 HZ3 LYS 8 HZ3 LYS 8 5.564 -5.143 -2.604 81 H ILE 9 H ILE 9 0.195 -1.860 -4.795 82 HA ILE 9 HA ILE 9 0.199 0.455 -6.503 83 HB ILE 9 HB ILE 9 -1.968 -1.658 -6.024 84 HG12 ILE 9 HG11 ILE 9 -0.069 -1.252 -8.419 85 HG13 ILE 9 HG12 ILE 9 0.278 -2.372 -7.086 86 HG21 ILE 9 HG21 ILE 9 -1.876 0.565 -8.159 87 HG22 ILE 9 HG22 ILE 9 -3.090 -0.741 -8.075 88 HG23 ILE 9 HG23 ILE 9 -3.028 0.477 -6.798 89 HD11 ILE 9 HD11 ILE 9 -2.089 -2.628 -9.036 90 HD12 ILE 9 HD12 ILE 9 -0.655 -3.669 -8.906 91 HD13 ILE 9 HD13 ILE 9 -1.850 -3.644 -7.580 92 H ALA 10 H ALA 10 -2.163 -0.529 -3.851 93 HA ALA 10 HA ALA 10 -3.553 1.930 -3.993 94 HB1 ALA 10 HB1 ALA 10 -4.492 -0.011 -2.789 95 HB2 ALA 10 HB2 ALA 10 -3.200 0.076 -1.551 96 HB3 ALA 10 HB3 ALA 10 -4.401 1.396 -1.690 97 H ALA 11 H ALA 11 -0.760 0.938 -1.811 98 HA ALA 11 HA ALA 11 -0.719 3.299 -0.313 99 HB1 ALA 11 HB1 ALA 11 1.765 1.724 -1.252 100 HB2 ALA 11 HB2 ALA 11 1.725 2.934 0.060 101 HB3 ALA 11 HB3 ALA 11 0.820 1.406 0.238 102 H LYS 12 H LYS 12 0.878 2.625 -3.562 103 HA LYS 12 HA LYS 12 2.184 5.144 -3.622 104 HB2 LYS 12 HB2 LYS 12 2.758 3.294 -5.188 105 HB3 LYS 12 HB3 LYS 12 1.199 3.495 -6.030 106 HG2 LYS 12 HG2 LYS 12 1.844 5.853 -6.658 107 HG3 LYS 12 HG3 LYS 12 3.371 5.664 -5.747 108 HD2 LYS 12 HD2 LYS 12 4.068 3.817 -7.318 109 HD3 LYS 12 HD3 LYS 12 2.519 3.981 -8.188 110 HE2 LYS 12 HE2 LYS 12 4.270 5.109 -9.459 111 HE3 LYS 12 HE3 LYS 12 3.124 6.330 -8.850 112 HZ1 LYS 12 HZ1 LYS 12 4.735 7.011 -7.137 113 HZ2 LYS 12 HZ2 LYS 12 5.537 6.974 -8.660 114 HZ3 LYS 12 HZ3 LYS 12 5.788 5.669 -7.540 115 H VAL 13 H VAL 13 -1.055 4.118 -5.020 116 HA VAL 13 HA VAL 13 -1.572 6.663 -6.176 117 HB VAL 13 HB VAL 13 -3.545 4.538 -5.153 118 HG11 VAL 13 HG11 VAL 13 -4.124 7.090 -6.784 119 HG12 VAL 13 HG12 VAL 13 -5.288 5.762 -6.511 120 HG13 VAL 13 HG13 VAL 13 -4.721 6.736 -5.137 121 HG21 VAL 13 HG21 VAL 13 -2.114 3.842 -7.135 122 HG22 VAL 13 HG22 VAL 13 -3.827 4.015 -7.577 123 HG23 VAL 13 HG23 VAL 13 -2.661 5.294 -8.015 124 H GLY 14 H GLY 14 -2.637 5.339 -2.922 125 HA2 GLY 14 HA2 GLY 14 -3.835 7.732 -2.051 126 HA3 GLY 14 HA3 GLY 14 -3.099 6.525 -0.963 127 H SER 15 H SER 15 -0.324 6.766 -2.093 128 HA SER 15 HA SER 15 0.382 9.201 -0.548 129 HB2 SER 15 HB2 SER 15 2.172 6.990 -1.681 130 HB3 SER 15 HB3 SER 15 2.642 8.287 -0.537 131 HG SER 15 HG SER 15 2.014 6.266 0.582 132 H ASN 16 H ASN 16 -0.846 10.177 -2.748 133 HA ASN 16 HA ASN 16 1.396 11.584 -3.941 134 HB2 ASN 16 HB2 ASN 16 -0.390 9.758 -5.663 135 HB3 ASN 16 HB3 ASN 16 0.395 11.199 -6.354 136 HD21 ASN 16 HD21 ASN 16 2.898 11.407 -5.937 137 HD22 ASN 16 HD22 ASN 16 3.772 9.930 -6.111 138 H LEU 17 H LEU 17 0.681 13.711 -4.714 139 HA LEU 17 HA LEU 17 -0.740 15.536 -4.376 140 HB2 LEU 17 HB2 LEU 17 -2.840 13.609 -5.516 141 HB3 LEU 17 HB3 LEU 17 -2.851 15.386 -5.609 142 HG LEU 17 HG LEU 17 -0.825 13.498 -6.990 143 HD11 LEU 17 HD11 LEU 17 -1.957 14.174 -9.106 144 HD12 LEU 17 HD12 LEU 17 -3.117 15.176 -8.187 145 HD13 LEU 17 HD13 LEU 17 -3.115 13.398 -7.995 146 HD21 LEU 17 HD21 LEU 17 0.305 15.666 -6.506 147 HD22 LEU 17 HD22 LEU 17 -1.098 16.570 -7.149 148 HD23 LEU 17 HD23 LEU 17 -0.081 15.580 -8.234 149 H LEU 18 H1 LEU 18 -0.190 14.390 -2.024 150 HA LEU 18 HA LEU 18 -0.990 13.952 0.085 151 HB2 LEU 18 HB2 LEU 18 -1.600 16.383 -0.266 152 HB3 LEU 18 HB3 LEU 18 -3.181 15.877 -0.898 153 HG LEU 18 HG LEU 18 -3.731 14.833 1.350 154 HD11 LEU 18 HD11 LEU 18 -1.468 14.417 2.312 155 HD12 LEU 18 HD12 LEU 18 -2.339 15.552 3.355 156 HD13 LEU 18 HD13 LEU 18 -1.087 16.164 2.240 157 HD21 LEU 18 HD21 LEU 18 -4.161 17.012 2.508 158 HD22 LEU 18 HD22 LEU 18 -4.515 17.138 0.765 159 HD23 LEU 18 HD23 LEU 18 -2.998 17.826 1.420 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 7.949 -10.204 -2.315 2 HA2 GLY 1 HA2 GLY 1 5.561 -10.759 -1.836 3 HA3 GLY 1 HA3 GLY 1 5.698 -9.153 -2.607 4 H LEU 2 H LEU 2 5.689 -12.685 -3.615 5 HA LEU 2 HA LEU 2 4.160 -11.905 -6.079 6 HB2 LEU 2 HB2 LEU 2 5.462 -14.542 -5.212 7 HB3 LEU 2 HB3 LEU 2 4.497 -14.330 -6.689 8 HG LEU 2 HG LEU 2 6.909 -14.339 -7.148 9 HD11 LEU 2 HD11 LEU 2 7.015 -12.434 -8.681 10 HD12 LEU 2 HD12 LEU 2 5.744 -11.561 -7.793 11 HD13 LEU 2 HD13 LEU 2 5.347 -13.067 -8.673 12 HD21 LEU 2 HD21 LEU 2 7.163 -11.664 -5.643 13 HD22 LEU 2 HD22 LEU 2 8.443 -12.544 -6.506 14 HD23 LEU 2 HD23 LEU 2 7.738 -13.245 -5.026 15 H LEU 3 H LEU 3 2.483 -11.214 -4.247 16 HA LEU 3 HA LEU 3 0.430 -13.275 -4.522 17 HB2 LEU 3 HB2 LEU 3 -0.182 -13.318 -2.126 18 HB3 LEU 3 HB3 LEU 3 1.339 -14.159 -2.437 19 HG LEU 3 HG LEU 3 1.551 -11.226 -1.609 20 HD11 LEU 3 HD11 LEU 3 -0.147 -12.076 -0.002 21 HD12 LEU 3 HD12 LEU 3 1.417 -11.831 0.817 22 HD13 LEU 3 HD13 LEU 3 0.891 -13.483 0.379 23 HD21 LEU 3 HD21 LEU 3 3.595 -12.018 -0.459 24 HD22 LEU 3 HD22 LEU 3 3.610 -12.592 -2.144 25 HD23 LEU 3 HD23 LEU 3 3.190 -13.718 -0.827 26 H LYS 4 H LYS 4 0.207 -11.163 -5.964 27 HA LYS 4 HA LYS 4 -0.963 -9.177 -6.322 28 HB2 LYS 4 HB2 LYS 4 -2.636 -10.435 -4.103 29 HB3 LYS 4 HB3 LYS 4 -3.120 -8.948 -4.927 30 HG2 LYS 4 HG2 LYS 4 -2.408 -11.297 -6.727 31 HG3 LYS 4 HG3 LYS 4 -3.881 -11.458 -5.752 32 HD2 LYS 4 HD2 LYS 4 -4.450 -10.574 -7.957 33 HD3 LYS 4 HD3 LYS 4 -4.865 -9.411 -6.675 34 HE2 LYS 4 HE2 LYS 4 -2.855 -8.033 -7.240 35 HE3 LYS 4 HE3 LYS 4 -2.351 -9.252 -8.451 36 HZ1 LYS 4 HZ1 LYS 4 -4.916 -7.622 -8.518 37 HZ2 LYS 4 HZ2 LYS 4 -4.420 -8.782 -9.726 38 HZ3 LYS 4 HZ3 LYS 4 -3.498 -7.330 -9.483 39 HA PRO 5 HA PRO 5 1.043 -7.127 -2.601 40 HB2 PRO 5 HB2 PRO 5 3.040 -5.721 -3.844 41 HB3 PRO 5 HB3 PRO 5 3.172 -7.492 -3.618 42 HG2 PRO 5 HG2 PRO 5 2.159 -6.067 -6.130 43 HG3 PRO 5 HG3 PRO 5 3.517 -7.233 -6.038 44 HD2 PRO 5 HD2 PRO 5 0.988 -8.048 -6.715 45 HD3 PRO 5 HD3 PRO 5 1.975 -9.095 -5.630 46 H LEU 6 H LEU 6 -1.377 -6.421 -3.006 47 HA LEU 6 HA LEU 6 -1.918 -4.205 -4.702 48 HB2 LEU 6 HB2 LEU 6 -3.719 -5.627 -3.709 49 HB3 LEU 6 HB3 LEU 6 -3.251 -5.101 -2.074 50 HG LEU 6 HG LEU 6 -3.931 -2.736 -2.636 51 HD11 LEU 6 HD11 LEU 6 -4.966 -3.985 -5.268 52 HD12 LEU 6 HD12 LEU 6 -3.704 -2.732 -5.125 53 HD13 LEU 6 HD13 LEU 6 -5.374 -2.349 -4.680 54 HD21 LEU 6 HD21 LEU 6 -6.126 -4.857 -3.051 55 HD22 LEU 6 HD22 LEU 6 -6.394 -3.161 -2.544 56 HD23 LEU 6 HD23 LEU 6 -5.513 -4.282 -1.472 57 H LEU 7 H LEU 7 -0.823 -4.493 -1.239 58 HA LEU 7 HA LEU 7 -1.088 -1.961 -0.350 59 HB2 LEU 7 HB2 LEU 7 0.051 -3.745 0.965 60 HB3 LEU 7 HB3 LEU 7 1.434 -3.716 -0.155 61 HG LEU 7 HG LEU 7 2.006 -1.374 0.600 62 HD11 LEU 7 HD11 LEU 7 -0.223 -0.514 1.309 63 HD12 LEU 7 HD12 LEU 7 0.891 -0.469 2.688 64 HD13 LEU 7 HD13 LEU 7 -0.331 -1.767 2.582 65 HD21 LEU 7 HD21 LEU 7 1.741 -3.413 2.894 66 HD22 LEU 7 HD22 LEU 7 2.853 -2.013 2.858 67 HD23 LEU 7 HD23 LEU 7 3.071 -3.350 1.700 68 H LYS 8 H LYS 8 1.558 -3.036 -2.659 69 HA LYS 8 HA LYS 8 2.881 -0.503 -2.604 70 HB2 LYS 8 HB2 LYS 8 2.779 -2.605 -4.856 71 HB3 LYS 8 HB3 LYS 8 3.804 -1.146 -4.880 72 HG2 LYS 8 HG2 LYS 8 4.955 -1.881 -2.780 73 HG3 LYS 8 HG3 LYS 8 3.974 -3.373 -2.749 74 HD2 LYS 8 HD2 LYS 8 4.930 -4.051 -4.977 75 HD3 LYS 8 HD3 LYS 8 5.893 -2.548 -5.025 76 HE2 LYS 8 HE2 LYS 8 7.094 -3.249 -2.925 77 HE3 LYS 8 HE3 LYS 8 6.150 -4.766 -2.898 78 HZ1 LYS 8 HZ1 LYS 8 7.125 -5.380 -5.091 79 HZ2 LYS 8 HZ2 LYS 8 8.371 -5.103 -3.908 80 HZ3 LYS 8 HZ3 LYS 8 8.044 -3.897 -5.114 81 H ILE 9 H ILE 9 0.252 -1.792 -4.805 82 HA ILE 9 HA ILE 9 0.350 0.614 -6.425 83 HB ILE 9 HB ILE 9 -1.911 -1.435 -6.158 84 HG12 ILE 9 HG11 ILE 9 0.073 -2.589 -7.012 85 HG13 ILE 9 HG12 ILE 9 -1.144 -2.401 -8.282 86 HG21 ILE 9 HG21 ILE 9 -2.834 0.660 -7.010 87 HG22 ILE 9 HG22 ILE 9 -1.515 0.839 -8.191 88 HG23 ILE 9 HG23 ILE 9 -2.708 -0.480 -8.367 89 HD11 ILE 9 HD11 ILE 9 1.096 -2.009 -9.202 90 HD12 ILE 9 HD12 ILE 9 0.202 -0.469 -9.256 91 HD13 ILE 9 HD13 ILE 9 1.452 -0.746 -8.000 92 H ALA 10 H ALA 10 -2.022 -0.541 -3.862 93 HA ALA 10 HA ALA 10 -3.578 1.778 -3.879 94 HB1 ALA 10 HB1 ALA 10 -4.203 -0.200 -2.513 95 HB2 ALA 10 HB2 ALA 10 -2.796 0.052 -1.436 96 HB3 ALA 10 HB3 ALA 10 -4.127 1.249 -1.471 97 H ALA 11 H ALA 11 -0.493 1.130 -2.007 98 HA ALA 11 HA ALA 11 -0.512 3.619 -0.644 99 HB1 ALA 11 HB1 ALA 11 1.094 1.822 -0.017 100 HB2 ALA 11 HB2 ALA 11 1.941 1.994 -1.583 101 HB3 ALA 11 HB3 ALA 11 1.965 3.335 -0.401 102 H LYS 12 H LYS 12 0.943 2.683 -3.899 103 HA LYS 12 HA LYS 12 2.146 5.199 -4.277 104 HB2 LYS 12 HB2 LYS 12 2.526 3.135 -5.749 105 HB3 LYS 12 HB3 LYS 12 0.981 3.506 -6.567 106 HG2 LYS 12 HG2 LYS 12 1.935 5.828 -7.122 107 HG3 LYS 12 HG3 LYS 12 3.474 5.333 -6.360 108 HD2 LYS 12 HD2 LYS 12 3.530 3.368 -8.059 109 HD3 LYS 12 HD3 LYS 12 2.163 4.159 -8.885 110 HE2 LYS 12 HE2 LYS 12 5.007 5.288 -8.442 111 HE3 LYS 12 HE3 LYS 12 4.285 4.764 -9.984 112 HZ1 LYS 12 HZ1 LYS 12 2.594 6.628 -9.705 113 HZ2 LYS 12 HZ2 LYS 12 4.240 7.162 -9.907 114 HZ3 LYS 12 HZ3 LYS 12 3.532 7.205 -8.340 115 H VAL 13 H VAL 13 -1.262 4.071 -5.004 116 HA VAL 13 HA VAL 13 -1.911 6.515 -6.396 117 HB VAL 13 HB VAL 13 -3.741 4.474 -5.014 118 HG11 VAL 13 HG11 VAL 13 -5.607 5.599 -6.291 119 HG12 VAL 13 HG12 VAL 13 -4.904 6.677 -5.064 120 HG13 VAL 13 HG13 VAL 13 -4.476 6.891 -6.787 121 HG21 VAL 13 HG21 VAL 13 -2.491 3.617 -7.052 122 HG22 VAL 13 HG22 VAL 13 -4.240 3.754 -7.352 123 HG23 VAL 13 HG23 VAL 13 -3.124 4.992 -7.998 124 H GLY 14 H GLY 14 -2.637 5.409 -2.952 125 HA2 GLY 14 HA2 GLY 14 -3.738 7.984 -2.297 126 HA3 GLY 14 HA3 GLY 14 -3.270 6.732 -1.131 127 H SER 15 H SER 15 -0.714 6.399 -0.965 128 HA SER 15 HA SER 15 0.161 8.856 0.169 129 HB2 SER 15 HB2 SER 15 0.942 6.571 0.948 130 HB3 SER 15 HB3 SER 15 1.921 6.427 -0.537 131 HG SER 15 HG SER 15 2.275 8.472 1.442 132 H ASN 16 H ASN 16 1.171 7.156 -2.917 133 HA ASN 16 HA ASN 16 2.458 7.939 -4.687 134 HB2 ASN 16 HB2 ASN 16 0.407 9.358 -4.952 135 HB3 ASN 16 HB3 ASN 16 1.142 10.619 -3.943 136 HD21 ASN 16 HD21 ASN 16 1.749 8.648 -6.986 137 HD22 ASN 16 HD22 ASN 16 2.682 9.880 -7.753 138 H LEU 17 H LEU 17 4.426 7.376 -3.430 139 HA LEU 17 HA LEU 17 6.573 7.971 -2.772 140 HB2 LEU 17 HB2 LEU 17 5.983 10.537 -4.344 141 HB3 LEU 17 HB3 LEU 17 7.573 9.788 -4.087 142 HG LEU 17 HG LEU 17 5.266 8.550 -5.740 143 HD11 LEU 17 HD11 LEU 17 6.631 9.166 -7.739 144 HD12 LEU 17 HD12 LEU 17 7.818 9.989 -6.686 145 HD13 LEU 17 HD13 LEU 17 6.148 10.614 -6.819 146 HD21 LEU 17 HD21 LEU 17 7.058 6.978 -6.584 147 HD22 LEU 17 HD22 LEU 17 6.791 6.777 -4.839 148 HD23 LEU 17 HD23 LEU 17 8.217 7.686 -5.425 149 H LEU 18 H1 LEU 18 4.472 8.602 -0.807 150 HA LEU 18 HA LEU 18 4.291 9.860 1.135 151 HB2 LEU 18 HB2 LEU 18 7.310 10.318 0.738 152 HB3 LEU 18 HB3 LEU 18 6.343 10.634 2.191 153 HG LEU 18 HG LEU 18 5.756 8.114 2.241 154 HD11 LEU 18 HD11 LEU 18 7.445 6.580 1.114 155 HD12 LEU 18 HD12 LEU 18 8.073 7.974 0.198 156 HD13 LEU 18 HD13 LEU 18 6.410 7.387 -0.065 157 HD21 LEU 18 HD21 LEU 18 7.930 7.516 3.342 158 HD22 LEU 18 HD22 LEU 18 7.407 9.152 3.805 159 HD23 LEU 18 HD23 LEU 18 8.704 8.943 2.590 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 -2.714 -17.100 -8.108 2 HA2 GLY 1 HA2 GLY 1 -3.613 -17.862 -5.891 3 HA3 GLY 1 HA3 GLY 1 -2.013 -18.580 -6.239 4 H LEU 2 H LEU 2 -0.217 -16.498 -5.849 5 HA LEU 2 HA LEU 2 -0.817 -15.139 -3.328 6 HB2 LEU 2 HB2 LEU 2 1.003 -16.143 -2.041 7 HB3 LEU 2 HB3 LEU 2 -0.280 -17.319 -2.358 8 HG LEU 2 HG LEU 2 2.192 -17.244 -4.182 9 HD11 LEU 2 HD11 LEU 2 3.278 -18.952 -2.691 10 HD12 LEU 2 HD12 LEU 2 1.968 -18.732 -1.492 11 HD13 LEU 2 HD13 LEU 2 3.090 -17.388 -1.861 12 HD21 LEU 2 HD21 LEU 2 1.681 -19.683 -4.459 13 HD22 LEU 2 HD22 LEU 2 0.272 -18.718 -4.926 14 HD23 LEU 2 HD23 LEU 2 0.298 -19.537 -3.344 15 H LEU 3 H LEU 3 -0.439 -13.859 -5.612 16 HA LEU 3 HA LEU 3 1.995 -12.370 -4.914 17 HB2 LEU 3 HB2 LEU 3 2.921 -12.388 -7.225 18 HB3 LEU 3 HB3 LEU 3 3.089 -13.932 -6.388 19 HG LEU 3 HG LEU 3 0.537 -13.889 -7.920 20 HD11 LEU 3 HD11 LEU 3 1.724 -12.319 -9.457 21 HD12 LEU 3 HD12 LEU 3 1.482 -13.911 -10.222 22 HD13 LEU 3 HD13 LEU 3 3.091 -13.464 -9.582 23 HD21 LEU 3 HD21 LEU 3 1.757 -15.953 -7.047 24 HD22 LEU 3 HD22 LEU 3 3.029 -15.669 -8.263 25 HD23 LEU 3 HD23 LEU 3 1.359 -16.040 -8.787 26 H LYS 4 H LYS 4 -0.185 -11.253 -4.296 27 HA LYS 4 HA LYS 4 -0.905 -9.439 -6.612 28 HB2 LYS 4 HB2 LYS 4 -2.738 -10.493 -4.402 29 HB3 LYS 4 HB3 LYS 4 -3.132 -9.304 -5.674 30 HG2 LYS 4 HG2 LYS 4 -2.557 -11.133 -7.422 31 HG3 LYS 4 HG3 LYS 4 -2.312 -12.254 -6.061 32 HD2 LYS 4 HD2 LYS 4 -4.507 -12.699 -6.912 33 HD3 LYS 4 HD3 LYS 4 -4.744 -11.854 -5.361 34 HE2 LYS 4 HE2 LYS 4 -5.243 -9.719 -6.618 35 HE3 LYS 4 HE3 LYS 4 -4.876 -10.539 -8.160 36 HZ1 LYS 4 HZ1 LYS 4 -7.292 -10.412 -7.753 37 HZ2 LYS 4 HZ2 LYS 4 -7.118 -11.276 -6.251 38 HZ3 LYS 4 HZ3 LYS 4 -6.777 -12.071 -7.768 39 HA PRO 5 HA PRO 5 0.805 -7.301 -2.769 40 HB2 PRO 5 HB2 PRO 5 2.795 -5.783 -3.906 41 HB3 PRO 5 HB3 PRO 5 2.989 -7.544 -3.663 42 HG2 PRO 5 HG2 PRO 5 2.026 -6.182 -6.231 43 HG3 PRO 5 HG3 PRO 5 3.444 -7.266 -6.068 44 HD2 PRO 5 HD2 PRO 5 1.041 -8.263 -6.865 45 HD3 PRO 5 HD3 PRO 5 1.990 -9.207 -5.651 46 H LEU 6 H LEU 6 -1.577 -6.562 -3.111 47 HA LEU 6 HA LEU 6 -2.171 -4.266 -4.664 48 HB2 LEU 6 HB2 LEU 6 -3.968 -5.585 -3.578 49 HB3 LEU 6 HB3 LEU 6 -3.296 -5.235 -1.966 50 HG LEU 6 HG LEU 6 -3.868 -2.821 -2.192 51 HD11 LEU 6 HD11 LEU 6 -5.400 -2.081 -4.083 52 HD12 LEU 6 HD12 LEU 6 -5.124 -3.649 -4.891 53 HD13 LEU 6 HD13 LEU 6 -3.779 -2.495 -4.666 54 HD21 LEU 6 HD21 LEU 6 -6.337 -3.075 -1.981 55 HD22 LEU 6 HD22 LEU 6 -5.491 -4.396 -1.134 56 HD23 LEU 6 HD23 LEU 6 -6.250 -4.698 -2.725 57 H LEU 7 H LEU 7 -0.845 -4.646 -1.280 58 HA LEU 7 HA LEU 7 -1.089 -2.153 -0.326 59 HB2 LEU 7 HB2 LEU 7 0.138 -3.963 0.891 60 HB3 LEU 7 HB3 LEU 7 1.487 -3.833 -0.262 61 HG LEU 7 HG LEU 7 1.947 -1.473 0.575 62 HD11 LEU 7 HD11 LEU 7 -0.305 -0.811 1.439 63 HD12 LEU 7 HD12 LEU 7 0.876 -0.760 2.763 64 HD13 LEU 7 HD13 LEU 7 -0.253 -2.138 2.640 65 HD21 LEU 7 HD21 LEU 7 1.944 -3.655 2.744 66 HD22 LEU 7 HD22 LEU 7 2.940 -2.171 2.751 67 HD23 LEU 7 HD23 LEU 7 3.203 -3.410 1.498 68 H LYS 8 H LYS 8 1.503 -3.090 -2.740 69 HA LYS 8 HA LYS 8 2.732 -0.473 -2.578 70 HB2 LYS 8 HB2 LYS 8 2.984 -2.758 -4.610 71 HB3 LYS 8 HB3 LYS 8 3.713 -1.166 -4.912 72 HG2 LYS 8 HG2 LYS 8 5.374 -2.687 -3.906 73 HG3 LYS 8 HG3 LYS 8 5.070 -1.249 -2.900 74 HD2 LYS 8 HD2 LYS 8 3.649 -2.608 -1.341 75 HD3 LYS 8 HD3 LYS 8 3.824 -4.027 -2.411 76 HE2 LYS 8 HE2 LYS 8 5.306 -4.273 -0.496 77 HE3 LYS 8 HE3 LYS 8 6.297 -4.052 -1.958 78 HZ1 LYS 8 HZ1 LYS 8 7.099 -2.766 0.029 79 HZ2 LYS 8 HZ2 LYS 8 5.624 -1.847 0.030 80 HZ3 LYS 8 HZ3 LYS 8 6.755 -1.728 -1.301 81 H ILE 9 H ILE 9 0.233 -1.900 -4.836 82 HA ILE 9 HA ILE 9 0.278 0.469 -6.503 83 HB ILE 9 HB ILE 9 -1.990 -1.560 -6.137 84 HG12 ILE 9 HG11 ILE 9 -0.053 -2.776 -6.994 85 HG13 ILE 9 HG12 ILE 9 -1.261 -2.573 -8.269 86 HG21 ILE 9 HG21 ILE 9 -2.897 0.527 -7.039 87 HG22 ILE 9 HG22 ILE 9 -1.599 0.642 -8.250 88 HG23 ILE 9 HG23 ILE 9 -2.817 -0.660 -8.358 89 HD11 ILE 9 HD11 ILE 9 0.141 -0.682 -9.255 90 HD12 ILE 9 HD12 ILE 9 1.379 -0.990 -7.996 91 HD13 ILE 9 HD13 ILE 9 0.990 -2.246 -9.192 92 H ALA 10 H ALA 10 -1.977 -0.630 -3.828 93 HA ALA 10 HA ALA 10 -3.542 1.709 -3.851 94 HB1 ALA 10 HB1 ALA 10 -2.740 -0.030 -1.426 95 HB2 ALA 10 HB2 ALA 10 -4.065 1.174 -1.439 96 HB3 ALA 10 HB3 ALA 10 -4.167 -0.276 -2.478 97 H ALA 11 H ALA 11 -0.407 1.018 -2.080 98 HA ALA 11 HA ALA 11 -0.432 3.464 -0.629 99 HB1 ALA 11 HB1 ALA 11 1.161 1.643 -0.042 100 HB2 ALA 11 HB2 ALA 11 2.016 1.855 -1.601 101 HB3 ALA 11 HB3 ALA 11 2.042 3.160 -0.380 102 H LYS 12 H LYS 12 1.025 2.620 -3.891 103 HA LYS 12 HA LYS 12 2.335 5.055 -4.272 104 HB2 LYS 12 HB2 LYS 12 2.599 3.143 -5.774 105 HB3 LYS 12 HB3 LYS 12 0.940 3.290 -6.395 106 HG2 LYS 12 HG2 LYS 12 2.929 5.617 -6.673 107 HG3 LYS 12 HG3 LYS 12 2.967 4.235 -7.798 108 HD2 LYS 12 HD2 LYS 12 0.667 4.636 -8.556 109 HD3 LYS 12 HD3 LYS 12 0.447 5.942 -7.377 110 HE2 LYS 12 HE2 LYS 12 0.849 6.900 -9.569 111 HE3 LYS 12 HE3 LYS 12 2.191 7.320 -8.476 112 HZ1 LYS 12 HZ1 LYS 12 2.900 6.656 -10.787 113 HZ2 LYS 12 HZ2 LYS 12 2.281 5.057 -10.511 114 HZ3 LYS 12 HZ3 LYS 12 3.629 5.671 -9.579 115 H VAL 13 H VAL 13 -1.128 4.223 -5.083 116 HA VAL 13 HA VAL 13 -1.599 6.884 -6.154 117 HB VAL 13 HB VAL 13 -3.572 4.720 -5.225 118 HG11 VAL 13 HG11 VAL 13 -5.295 6.046 -6.498 119 HG12 VAL 13 HG12 VAL 13 -4.669 6.959 -5.104 120 HG13 VAL 13 HG13 VAL 13 -4.098 7.349 -6.753 121 HG21 VAL 13 HG21 VAL 13 -2.656 5.575 -8.051 122 HG22 VAL 13 HG22 VAL 13 -2.170 4.066 -7.236 123 HG23 VAL 13 HG23 VAL 13 -3.874 4.322 -7.679 124 H GLY 14 H GLY 14 -2.476 5.250 -2.989 125 HA2 GLY 14 HA2 GLY 14 -3.775 7.445 -1.876 126 HA3 GLY 14 HA3 GLY 14 -2.904 6.225 -0.916 127 H SER 15 H SER 15 -0.182 6.889 -2.147 128 HA SER 15 HA SER 15 0.743 8.484 -0.133 129 HB2 SER 15 HB2 SER 15 1.793 8.488 -3.031 130 HB3 SER 15 HB3 SER 15 2.700 9.057 -1.593 131 HG SER 15 HG SER 15 3.150 6.765 -2.094 132 H ASN 16 H ASN 16 -0.512 9.659 -3.365 133 HA ASN 16 HA ASN 16 0.077 12.424 -2.619 134 HB2 ASN 16 HB2 ASN 16 -1.591 11.337 -4.950 135 HB3 ASN 16 HB3 ASN 16 -1.170 13.043 -4.681 136 HD21 ASN 16 HD21 ASN 16 0.193 9.834 -5.689 137 HD22 ASN 16 HD22 ASN 16 1.726 10.479 -6.134 138 H LEU 17 H LEU 17 -1.372 13.757 -1.377 139 HA LEU 17 HA LEU 17 -3.279 14.274 -0.154 140 HB2 LEU 17 HB2 LEU 17 -4.658 13.283 -2.702 141 HB3 LEU 17 HB3 LEU 17 -5.275 14.509 -1.568 142 HG LEU 17 HG LEU 17 -2.782 14.808 -3.373 143 HD11 LEU 17 HD11 LEU 17 -4.925 14.808 -4.665 144 HD12 LEU 17 HD12 LEU 17 -4.174 16.426 -4.666 145 HD13 LEU 17 HD13 LEU 17 -5.572 16.094 -3.602 146 HD21 LEU 17 HD21 LEU 17 -2.488 16.191 -1.316 147 HD22 LEU 17 HD22 LEU 17 -4.143 16.848 -1.492 148 HD23 LEU 17 HD23 LEU 17 -2.878 17.248 -2.688 149 H LEU 18 H1 LEU 18 -2.294 11.616 0.507 150 HA LEU 18 HA LEU 18 -3.057 9.704 1.561 151 HB2 LEU 18 HB2 LEU 18 -5.528 11.423 2.220 152 HB3 LEU 18 HB3 LEU 18 -5.040 9.883 2.952 153 HG LEU 18 HG LEU 18 -2.796 11.099 3.615 154 HD11 LEU 18 HD11 LEU 18 -3.076 13.215 2.268 155 HD12 LEU 18 HD12 LEU 18 -3.035 13.581 4.001 156 HD13 LEU 18 HD13 LEU 18 -4.595 13.569 3.135 157 HD21 LEU 18 HD21 LEU 18 -4.505 10.387 5.276 158 HD22 LEU 18 HD22 LEU 18 -5.456 11.870 4.961 159 HD23 LEU 18 HD23 LEU 18 -3.840 11.977 5.721 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 -1.918 -16.481 -8.359 2 HA2 GLY 1 HA2 GLY 1 -3.155 -18.216 -7.039 3 HA3 GLY 1 HA3 GLY 1 -1.558 -18.913 -6.659 4 H LEU 2 H LEU 2 0.114 -17.154 -5.747 5 HA LEU 2 HA LEU 2 -1.346 -15.316 -3.867 6 HB2 LEU 2 HB2 LEU 2 -0.524 -17.607 -2.958 7 HB3 LEU 2 HB3 LEU 2 1.124 -17.014 -3.211 8 HG LEU 2 HG LEU 2 0.490 -16.763 -0.879 9 HD11 LEU 2 HD11 LEU 2 0.389 -13.940 -2.110 10 HD12 LEU 2 HD12 LEU 2 1.877 -14.886 -1.778 11 HD13 LEU 2 HD13 LEU 2 0.834 -14.354 -0.436 12 HD21 LEU 2 HD21 LEU 2 -1.941 -15.022 -1.631 13 HD22 LEU 2 HD22 LEU 2 -1.428 -15.536 -0.010 14 HD23 LEU 2 HD23 LEU 2 -2.022 -16.748 -1.173 15 H LEU 3 H LEU 3 -0.915 -13.781 -5.736 16 HA LEU 3 HA LEU 3 1.579 -12.375 -5.065 17 HB2 LEU 3 HB2 LEU 3 2.312 -12.126 -7.416 18 HB3 LEU 3 HB3 LEU 3 2.542 -13.761 -6.792 19 HG LEU 3 HG LEU 3 -0.118 -13.435 -8.166 20 HD11 LEU 3 HD11 LEU 3 0.792 -13.383 -10.491 21 HD12 LEU 3 HD12 LEU 3 2.439 -13.113 -9.848 22 HD13 LEU 3 HD13 LEU 3 1.167 -11.875 -9.617 23 HD21 LEU 3 HD21 LEU 3 2.197 -15.413 -8.631 24 HD22 LEU 3 HD22 LEU 3 0.520 -15.577 -9.224 25 HD23 LEU 3 HD23 LEU 3 0.857 -15.644 -7.472 26 H LYS 4 H LYS 4 -0.400 -11.203 -4.148 27 HA LYS 4 HA LYS 4 -1.551 -9.392 -6.276 28 HB2 LYS 4 HB2 LYS 4 -3.153 -11.016 -5.161 29 HB3 LYS 4 HB3 LYS 4 -2.723 -10.284 -3.611 30 HG2 LYS 4 HG2 LYS 4 -4.565 -8.944 -4.034 31 HG3 LYS 4 HG3 LYS 4 -3.428 -7.979 -4.996 32 HD2 LYS 4 HD2 LYS 4 -5.375 -10.154 -6.019 33 HD3 LYS 4 HD3 LYS 4 -5.557 -8.391 -6.195 34 HE2 LYS 4 HE2 LYS 4 -3.448 -8.350 -7.617 35 HE3 LYS 4 HE3 LYS 4 -3.412 -10.142 -7.546 36 HZ1 LYS 4 HZ1 LYS 4 -5.642 -10.216 -8.589 37 HZ2 LYS 4 HZ2 LYS 4 -4.491 -9.386 -9.595 38 HZ3 LYS 4 HZ3 LYS 4 -5.666 -8.474 -8.698 39 HA PRO 5 HA PRO 5 1.017 -7.008 -3.121 40 HB2 PRO 5 HB2 PRO 5 2.644 -5.579 -4.810 41 HB3 PRO 5 HB3 PRO 5 2.913 -7.324 -4.528 42 HG2 PRO 5 HG2 PRO 5 1.317 -6.094 -6.834 43 HG3 PRO 5 HG3 PRO 5 2.745 -7.167 -6.984 44 HD2 PRO 5 HD2 PRO 5 0.224 -8.200 -7.091 45 HD3 PRO 5 HD3 PRO 5 1.476 -9.084 -6.133 46 H LEU 6 H LEU 6 -1.474 -6.383 -3.059 47 HA LEU 6 HA LEU 6 -2.282 -4.060 -4.582 48 HB2 LEU 6 HB2 LEU 6 -3.917 -5.556 -3.640 49 HB3 LEU 6 HB3 LEU 6 -3.361 -5.306 -1.977 50 HG LEU 6 HG LEU 6 -4.325 -2.880 -3.577 51 HD11 LEU 6 HD11 LEU 6 -6.127 -4.563 -3.923 52 HD12 LEU 6 HD12 LEU 6 -6.676 -3.297 -2.797 53 HD13 LEU 6 HD13 LEU 6 -6.180 -4.895 -2.165 54 HD21 LEU 6 HD21 LEU 6 -4.517 -3.647 -0.580 55 HD22 LEU 6 HD22 LEU 6 -5.089 -2.118 -1.287 56 HD23 LEU 6 HD23 LEU 6 -3.350 -2.486 -1.262 57 H LEU 7 H LEU 7 -0.804 -4.581 -1.273 58 HA LEU 7 HA LEU 7 -0.949 -2.053 -0.292 59 HB2 LEU 7 HB2 LEU 7 0.239 -3.897 0.905 60 HB3 LEU 7 HB3 LEU 7 1.539 -3.863 -0.309 61 HG LEU 7 HG LEU 7 2.191 -1.542 0.446 62 HD11 LEU 7 HD11 LEU 7 1.243 -0.671 2.636 63 HD12 LEU 7 HD12 LEU 7 0.003 -1.957 2.588 64 HD13 LEU 7 HD13 LEU 7 0.027 -0.671 1.342 65 HD21 LEU 7 HD21 LEU 7 3.310 -3.545 1.425 66 HD22 LEU 7 HD22 LEU 7 2.076 -3.622 2.714 67 HD23 LEU 7 HD23 LEU 7 3.194 -2.231 2.622 68 H LYS 8 H LYS 8 1.477 -3.161 -2.802 69 HA LYS 8 HA LYS 8 2.894 -0.666 -2.805 70 HB2 LYS 8 HB2 LYS 8 2.621 -2.876 -4.925 71 HB3 LYS 8 HB3 LYS 8 3.466 -1.355 -5.278 72 HG2 LYS 8 HG2 LYS 8 5.071 -3.084 -4.618 73 HG3 LYS 8 HG3 LYS 8 5.108 -1.690 -3.508 74 HD2 LYS 8 HD2 LYS 8 3.837 -2.975 -1.790 75 HD3 LYS 8 HD3 LYS 8 3.663 -4.350 -2.919 76 HE2 LYS 8 HE2 LYS 8 6.165 -4.620 -2.973 77 HE3 LYS 8 HE3 LYS 8 6.334 -3.244 -1.847 78 HZ1 LYS 8 HZ1 LYS 8 6.464 -5.405 -0.678 79 HZ2 LYS 8 HZ2 LYS 8 4.878 -5.843 -1.250 80 HZ3 LYS 8 HZ3 LYS 8 5.077 -4.505 -0.144 81 H ILE 9 H ILE 9 0.083 -1.848 -4.834 82 HA ILE 9 HA ILE 9 0.181 0.559 -6.445 83 HB ILE 9 HB ILE 9 -2.181 -1.360 -6.076 84 HG12 ILE 9 HG11 ILE 9 -0.368 -2.714 -6.959 85 HG13 ILE 9 HG12 ILE 9 -1.490 -2.349 -8.274 86 HG21 ILE 9 HG21 ILE 9 -2.936 0.805 -6.965 87 HG22 ILE 9 HG22 ILE 9 -1.650 0.816 -8.195 88 HG23 ILE 9 HG23 ILE 9 -2.964 -0.391 -8.276 89 HD11 ILE 9 HD11 ILE 9 0.818 -2.184 -9.091 90 HD12 ILE 9 HD12 ILE 9 0.131 -0.539 -9.093 91 HD13 ILE 9 HD13 ILE 9 1.272 -1.043 -7.806 92 H ALA 10 H ALA 10 -2.056 -0.500 -3.732 93 HA ALA 10 HA ALA 10 -3.507 1.914 -3.700 94 HB1 ALA 10 HB1 ALA 10 -4.209 -0.068 -2.380 95 HB2 ALA 10 HB2 ALA 10 -2.782 0.101 -1.309 96 HB3 ALA 10 HB3 ALA 10 -4.062 1.353 -1.306 97 H ALA 11 H ALA 11 -0.363 1.059 -2.016 98 HA ALA 11 HA ALA 11 -0.234 3.522 -0.571 99 HB1 ALA 11 HB1 ALA 11 2.227 3.098 -0.399 100 HB2 ALA 11 HB2 ALA 11 1.289 1.624 -0.023 101 HB3 ALA 11 HB3 ALA 11 2.099 1.790 -1.612 102 H LYS 12 H LYS 12 0.956 2.570 -3.900 103 HA LYS 12 HA LYS 12 2.413 4.927 -4.364 104 HB2 LYS 12 HB2 LYS 12 2.528 2.949 -5.798 105 HB3 LYS 12 HB3 LYS 12 0.881 3.198 -6.415 106 HG2 LYS 12 HG2 LYS 12 3.153 5.251 -6.807 107 HG3 LYS 12 HG3 LYS 12 2.831 3.892 -7.915 108 HD2 LYS 12 HD2 LYS 12 0.506 4.752 -8.351 109 HD3 LYS 12 HD3 LYS 12 0.845 6.162 -7.320 110 HE2 LYS 12 HE2 LYS 12 1.105 6.840 -9.606 111 HE3 LYS 12 HE3 LYS 12 2.706 6.866 -8.824 112 HZ1 LYS 12 HZ1 LYS 12 1.692 4.602 -10.586 113 HZ2 LYS 12 HZ2 LYS 12 3.333 4.819 -10.013 114 HZ3 LYS 12 HZ3 LYS 12 2.671 5.921 -11.150 115 H VAL 13 H VAL 13 -1.085 4.243 -5.250 116 HA VAL 13 HA VAL 13 -1.389 6.978 -6.193 117 HB VAL 13 HB VAL 13 -3.516 4.862 -5.535 118 HG11 VAL 13 HG11 VAL 13 -5.073 6.344 -6.847 119 HG12 VAL 13 HG12 VAL 13 -4.504 7.153 -5.368 120 HG13 VAL 13 HG13 VAL 13 -3.795 7.591 -6.951 121 HG21 VAL 13 HG21 VAL 13 -3.659 4.620 -8.025 122 HG22 VAL 13 HG22 VAL 13 -2.337 5.802 -8.231 123 HG23 VAL 13 HG23 VAL 13 -2.020 4.223 -7.463 124 H GLY 14 H GLY 14 -2.556 5.164 -3.239 125 HA2 GLY 14 HA2 GLY 14 -3.876 7.227 -1.999 126 HA3 GLY 14 HA3 GLY 14 -2.989 5.977 -1.098 127 H SER 15 H SER 15 -0.262 6.789 -2.170 128 HA SER 15 HA SER 15 0.475 8.360 -0.011 129 HB2 SER 15 HB2 SER 15 2.174 7.226 -1.404 130 HB3 SER 15 HB3 SER 15 1.809 8.308 -2.785 131 HG SER 15 HG SER 15 3.640 9.103 -1.480 132 H ASN 16 H ASN 16 -0.325 9.537 -3.397 133 HA ASN 16 HA ASN 16 -0.074 12.319 -2.390 134 HB2 ASN 16 HB2 ASN 16 -0.355 13.038 -4.696 135 HB3 ASN 16 HB3 ASN 16 0.900 11.786 -4.610 136 HD21 ASN 16 HD21 ASN 16 0.475 9.696 -5.755 137 HD22 ASN 16 HD22 ASN 16 -0.949 9.499 -6.703 138 H LEU 17 H LEU 17 -1.916 13.858 -2.560 139 HA LEU 17 HA LEU 17 -4.161 14.338 -2.100 140 HB2 LEU 17 HB2 LEU 17 -4.477 12.473 -4.513 141 HB3 LEU 17 HB3 LEU 17 -5.597 13.775 -4.043 142 HG LEU 17 HG LEU 17 -2.693 14.166 -5.020 143 HD11 LEU 17 HD11 LEU 17 -4.225 13.376 -6.827 144 HD12 LEU 17 HD12 LEU 17 -3.737 15.068 -7.095 145 HD13 LEU 17 HD13 LEU 17 -5.364 14.702 -6.457 146 HD21 LEU 17 HD21 LEU 17 -4.874 16.242 -4.339 147 HD22 LEU 17 HD22 LEU 17 -3.339 16.620 -5.173 148 HD23 LEU 17 HD23 LEU 17 -3.308 16.043 -3.495 149 H LEU 18 H1 LEU 18 -3.367 12.460 -0.254 150 HA LEU 18 HA LEU 18 -4.179 10.784 1.101 151 HB2 LEU 18 HB2 LEU 18 -5.896 12.582 1.445 152 HB3 LEU 18 HB3 LEU 18 -6.826 11.961 0.065 153 HG LEU 18 HG LEU 18 -7.216 9.790 1.291 154 HD11 LEU 18 HD11 LEU 18 -5.282 9.714 2.865 155 HD12 LEU 18 HD12 LEU 18 -6.791 9.737 3.797 156 HD13 LEU 18 HD13 LEU 18 -5.825 11.233 3.642 157 HD21 LEU 18 HD21 LEU 18 -8.895 10.714 2.893 158 HD22 LEU 18 HD22 LEU 18 -8.910 11.627 1.365 159 HD23 LEU 18 HD23 LEU 18 -8.113 12.318 2.807 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 8.814 -11.364 -1.876 2 HA2 GLY 1 HA2 GLY 1 7.410 -13.407 -1.550 3 HA3 GLY 1 HA3 GLY 1 6.274 -12.352 -0.657 4 H LEU 2 H LEU 2 5.187 -13.768 -2.767 5 HA LEU 2 HA LEU 2 4.666 -11.562 -4.738 6 HB2 LEU 2 HB2 LEU 2 6.441 -13.239 -5.503 7 HB3 LEU 2 HB3 LEU 2 5.187 -14.496 -5.501 8 HG LEU 2 HG LEU 2 5.239 -11.894 -7.181 9 HD11 LEU 2 HD11 LEU 2 6.861 -13.659 -7.934 10 HD12 LEU 2 HD12 LEU 2 5.559 -13.427 -9.127 11 HD13 LEU 2 HD13 LEU 2 5.525 -14.843 -8.038 12 HD21 LEU 2 HD21 LEU 2 3.234 -12.857 -8.402 13 HD22 LEU 2 HD22 LEU 2 2.859 -12.406 -6.732 14 HD23 LEU 2 HD23 LEU 2 3.112 -14.129 -7.155 15 H LEU 3 H LEU 3 2.582 -11.188 -3.653 16 HA LEU 3 HA LEU 3 0.593 -13.248 -4.362 17 HB2 LEU 3 HB2 LEU 3 -0.372 -13.316 -2.095 18 HB3 LEU 3 HB3 LEU 3 1.188 -14.143 -2.183 19 HG LEU 3 HG LEU 3 1.188 -11.225 -1.241 20 HD11 LEU 3 HD11 LEU 3 0.771 -11.964 1.115 21 HD12 LEU 3 HD12 LEU 3 0.397 -13.615 0.532 22 HD13 LEU 3 HD13 LEU 3 -0.655 -12.238 0.083 23 HD21 LEU 3 HD21 LEU 3 3.090 -12.007 0.162 24 HD22 LEU 3 HD22 LEU 3 3.387 -12.401 -1.543 25 HD23 LEU 3 HD23 LEU 3 2.858 -13.680 -0.414 26 H LYS 4 H LYS 4 0.425 -11.238 -5.852 27 HA LYS 4 HA LYS 4 -0.826 -9.383 -6.436 28 HB2 LYS 4 HB2 LYS 4 -2.649 -10.906 -5.874 29 HB3 LYS 4 HB3 LYS 4 -2.593 -10.426 -4.169 30 HG2 LYS 4 HG2 LYS 4 -4.459 -9.353 -5.212 31 HG3 LYS 4 HG3 LYS 4 -3.296 -8.085 -4.768 32 HD2 LYS 4 HD2 LYS 4 -2.518 -7.949 -7.150 33 HD3 LYS 4 HD3 LYS 4 -3.660 -9.246 -7.605 34 HE2 LYS 4 HE2 LYS 4 -4.383 -6.452 -6.494 35 HE3 LYS 4 HE3 LYS 4 -4.485 -6.973 -8.195 36 HZ1 LYS 4 HZ1 LYS 4 -6.688 -7.074 -7.295 37 HZ2 LYS 4 HZ2 LYS 4 -6.214 -7.947 -5.896 38 HZ3 LYS 4 HZ3 LYS 4 -6.162 -8.722 -7.466 39 HA PRO 5 HA PRO 5 1.026 -7.052 -2.784 40 HB2 PRO 5 HB2 PRO 5 2.940 -5.570 -4.065 41 HB3 PRO 5 HB3 PRO 5 3.155 -7.329 -3.811 42 HG2 PRO 5 HG2 PRO 5 2.041 -6.009 -6.339 43 HG3 PRO 5 HG3 PRO 5 3.463 -7.097 -6.241 44 HD2 PRO 5 HD2 PRO 5 0.991 -8.073 -6.871 45 HD3 PRO 5 HD3 PRO 5 2.031 -9.031 -5.746 46 H LEU 6 H LEU 6 -1.411 -6.426 -3.142 47 HA LEU 6 HA LEU 6 -2.027 -4.107 -4.719 48 HB2 LEU 6 HB2 LEU 6 -3.756 -5.592 -3.931 49 HB3 LEU 6 HB3 LEU 6 -3.369 -5.320 -2.221 50 HG LEU 6 HG LEU 6 -4.164 -2.910 -3.937 51 HD11 LEU 6 HD11 LEU 6 -5.916 -4.606 -4.467 52 HD12 LEU 6 HD12 LEU 6 -6.590 -3.336 -3.419 53 HD13 LEU 6 HD13 LEU 6 -6.153 -4.925 -2.724 54 HD21 LEU 6 HD21 LEU 6 -3.449 -2.502 -1.534 55 HD22 LEU 6 HD22 LEU 6 -4.676 -3.661 -0.973 56 HD23 LEU 6 HD23 LEU 6 -5.175 -2.143 -1.750 57 H LEU 7 H LEU 7 -0.726 -4.594 -1.339 58 HA LEU 7 HA LEU 7 -1.002 -2.072 -0.363 59 HB2 LEU 7 HB2 LEU 7 0.156 -3.843 0.914 60 HB3 LEU 7 HB3 LEU 7 1.512 -3.836 -0.239 61 HG LEU 7 HG LEU 7 2.131 -1.503 0.475 62 HD11 LEU 7 HD11 LEU 7 -0.170 -1.822 2.512 63 HD12 LEU 7 HD12 LEU 7 -0.070 -0.590 1.218 64 HD13 LEU 7 HD13 LEU 7 1.075 -0.543 2.571 65 HD21 LEU 7 HD21 LEU 7 1.877 -3.495 2.813 66 HD22 LEU 7 HD22 LEU 7 3.014 -2.118 2.726 67 HD23 LEU 7 HD23 LEU 7 3.183 -3.481 1.591 68 H LYS 8 H LYS 8 1.717 -3.085 -2.649 69 HA LYS 8 HA LYS 8 2.872 -0.495 -2.727 70 HB2 LYS 8 HB2 LYS 8 2.732 -2.729 -4.833 71 HB3 LYS 8 HB3 LYS 8 3.533 -1.196 -5.216 72 HG2 LYS 8 HG2 LYS 8 4.389 -2.865 -2.784 73 HG3 LYS 8 HG3 LYS 8 5.050 -3.094 -4.425 74 HD2 LYS 8 HD2 LYS 8 5.831 -0.710 -4.492 75 HD3 LYS 8 HD3 LYS 8 5.185 -0.436 -2.858 76 HE2 LYS 8 HE2 LYS 8 7.572 -0.754 -2.707 77 HE3 LYS 8 HE3 LYS 8 6.765 -2.137 -1.924 78 HZ1 LYS 8 HZ1 LYS 8 7.304 -3.553 -3.849 79 HZ2 LYS 8 HZ2 LYS 8 8.736 -2.732 -3.357 80 HZ3 LYS 8 HZ3 LYS 8 7.875 -2.170 -4.759 81 H ILE 9 H ILE 9 0.153 -1.882 -4.723 82 HA ILE 9 HA ILE 9 0.171 0.402 -6.487 83 HB ILE 9 HB ILE 9 -2.018 -1.675 -5.956 84 HG12 ILE 9 HG11 ILE 9 -0.083 -1.347 -8.342 85 HG13 ILE 9 HG12 ILE 9 0.204 -2.465 -6.994 86 HG21 ILE 9 HG21 ILE 9 -3.037 0.465 -6.788 87 HG22 ILE 9 HG22 ILE 9 -1.882 0.490 -8.149 88 HG23 ILE 9 HG23 ILE 9 -3.127 -0.787 -8.031 89 HD11 ILE 9 HD11 ILE 9 -1.957 -3.672 -7.523 90 HD12 ILE 9 HD12 ILE 9 -2.120 -2.668 -8.997 91 HD13 ILE 9 HD13 ILE 9 -0.728 -3.756 -8.815 92 H ALA 10 H ALA 10 -2.115 -0.507 -3.749 93 HA ALA 10 HA ALA 10 -3.519 1.942 -3.879 94 HB1 ALA 10 HB1 ALA 10 -4.362 0.041 -2.550 95 HB2 ALA 10 HB2 ALA 10 -2.992 0.172 -1.402 96 HB3 ALA 10 HB3 ALA 10 -4.207 1.484 -1.505 97 H ALA 11 H ALA 11 -0.573 1.035 -1.890 98 HA ALA 11 HA ALA 11 -0.401 3.477 -0.506 99 HB1 ALA 11 HB1 ALA 11 2.061 3.051 -0.296 100 HB2 ALA 11 HB2 ALA 11 1.120 1.568 0.038 101 HB3 ALA 11 HB3 ALA 11 1.955 1.766 -1.534 102 H LYS 12 H LYS 12 0.894 2.582 -3.828 103 HA LYS 12 HA LYS 12 2.321 4.976 -4.163 104 HB2 LYS 12 HB2 LYS 12 2.625 3.133 -5.728 105 HB3 LYS 12 HB3 LYS 12 0.952 3.272 -6.328 106 HG2 LYS 12 HG2 LYS 12 1.387 5.507 -7.280 107 HG3 LYS 12 HG3 LYS 12 2.983 5.563 -6.496 108 HD2 LYS 12 HD2 LYS 12 3.742 3.610 -7.918 109 HD3 LYS 12 HD3 LYS 12 2.135 3.586 -8.692 110 HE2 LYS 12 HE2 LYS 12 3.700 4.733 -10.168 111 HE3 LYS 12 HE3 LYS 12 2.548 5.943 -9.549 112 HZ1 LYS 12 HZ1 LYS 12 4.269 6.790 -8.003 113 HZ2 LYS 12 HZ2 LYS 12 4.919 6.717 -9.589 114 HZ3 LYS 12 HZ3 LYS 12 5.345 5.488 -8.434 115 H VAL 13 H VAL 13 -1.141 4.214 -5.111 116 HA VAL 13 HA VAL 13 -1.480 6.882 -6.193 117 HB VAL 13 HB VAL 13 -3.571 4.781 -5.385 118 HG11 VAL 13 HG11 VAL 13 -5.184 6.175 -6.723 119 HG12 VAL 13 HG12 VAL 13 -4.603 7.051 -5.289 120 HG13 VAL 13 HG13 VAL 13 -3.937 7.442 -6.901 121 HG21 VAL 13 HG21 VAL 13 -2.494 5.632 -8.151 122 HG22 VAL 13 HG22 VAL 13 -2.089 4.104 -7.324 123 HG23 VAL 13 HG23 VAL 13 -3.762 4.412 -7.846 124 H GLY 14 H GLY 14 -2.700 5.288 -3.126 125 HA2 GLY 14 HA2 GLY 14 -3.964 7.512 -2.081 126 HA3 GLY 14 HA3 GLY 14 -3.200 6.259 -1.072 127 H SER 15 H SER 15 -0.379 6.759 -1.910 128 HA SER 15 HA SER 15 -0.037 9.179 -0.182 129 HB2 SER 15 HB2 SER 15 1.019 7.010 0.528 130 HB3 SER 15 HB3 SER 15 1.990 7.028 -0.967 131 HG SER 15 HG SER 15 2.121 9.069 1.048 132 H ASN 16 H ASN 16 -0.908 9.982 -2.696 133 HA ASN 16 HA ASN 16 -0.232 11.280 -4.512 134 HB2 ASN 16 HB2 ASN 16 1.729 12.169 -2.311 135 HB3 ASN 16 HB3 ASN 16 1.194 13.151 -3.699 136 HD21 ASN 16 HD21 ASN 16 -1.347 13.450 -3.879 137 HD22 ASN 16 HD22 ASN 16 -2.182 13.621 -2.381 138 H LEU 17 H LEU 17 0.598 9.130 -5.544 139 HA LEU 17 HA LEU 17 2.242 8.059 -6.754 140 HB2 LEU 17 HB2 LEU 17 3.677 10.776 -6.831 141 HB3 LEU 17 HB3 LEU 17 3.960 9.352 -7.846 142 HG LEU 17 HG LEU 17 1.427 9.597 -8.570 143 HD11 LEU 17 HD11 LEU 17 0.604 11.985 -8.571 144 HD12 LEU 17 HD12 LEU 17 1.971 12.460 -7.528 145 HD13 LEU 17 HD13 LEU 17 0.708 11.357 -6.919 146 HD21 LEU 17 HD21 LEU 17 3.556 11.630 -9.476 147 HD22 LEU 17 HD22 LEU 17 2.085 11.199 -10.396 148 HD23 LEU 17 HD23 LEU 17 3.342 9.973 -10.114 149 H LEU 18 H1 LEU 18 2.315 7.495 -4.078 150 HA LEU 18 HA LEU 18 3.723 6.412 -2.630 151 HB2 LEU 18 HB2 LEU 18 4.811 5.861 -5.067 152 HB3 LEU 18 HB3 LEU 18 6.179 6.754 -4.384 153 HG LEU 18 HG LEU 18 4.793 4.272 -3.160 154 HD11 LEU 18 HD11 LEU 18 6.873 3.050 -3.801 155 HD12 LEU 18 HD12 LEU 18 7.531 4.535 -4.551 156 HD13 LEU 18 HD13 LEU 18 6.083 3.746 -5.240 157 HD21 LEU 18 HD21 LEU 18 7.325 5.782 -2.231 158 HD22 LEU 18 HD22 LEU 18 6.741 4.231 -1.562 159 HD23 LEU 18 HD23 LEU 18 5.772 5.706 -1.351 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 -6.742 -11.674 2.321 2 HA2 GLY 1 HA2 GLY 1 -4.214 -10.270 1.592 3 HA3 GLY 1 HA3 GLY 1 -4.272 -11.628 2.760 4 H LEU 2 H LEU 2 -2.523 -12.057 0.731 5 HA LEU 2 HA LEU 2 -2.024 -13.454 -1.066 6 HB2 LEU 2 HB2 LEU 2 -4.604 -14.891 -0.189 7 HB3 LEU 2 HB3 LEU 2 -3.454 -15.484 -1.399 8 HG LEU 2 HG LEU 2 -3.215 -16.627 0.749 9 HD11 LEU 2 HD11 LEU 2 -1.208 -16.402 -0.755 10 HD12 LEU 2 HD12 LEU 2 -0.775 -16.561 0.970 11 HD13 LEU 2 HD13 LEU 2 -0.681 -14.968 0.178 12 HD21 LEU 2 HD21 LEU 2 -2.186 -14.031 2.040 13 HD22 LEU 2 HD22 LEU 2 -2.416 -15.617 2.800 14 HD23 LEU 2 HD23 LEU 2 -3.839 -14.676 2.271 15 H LEU 3 H LEU 3 -2.688 -11.133 -1.979 16 HA LEU 3 HA LEU 3 -4.271 -11.795 -4.369 17 HB2 LEU 3 HB2 LEU 3 -5.889 -9.852 -3.965 18 HB3 LEU 3 HB3 LEU 3 -6.111 -11.305 -2.974 19 HG LEU 3 HG LEU 3 -4.939 -10.197 -1.036 20 HD11 LEU 3 HD11 LEU 3 -3.591 -8.438 -2.123 21 HD12 LEU 3 HD12 LEU 3 -4.763 -7.672 -1.040 22 HD13 LEU 3 HD13 LEU 3 -5.069 -7.674 -2.796 23 HD21 LEU 3 HD21 LEU 3 -6.887 -8.774 -0.407 24 HD22 LEU 3 HD22 LEU 3 -7.421 -10.285 -1.182 25 HD23 LEU 3 HD23 LEU 3 -7.431 -8.755 -2.113 26 H LYS 4 H LYS 4 -1.650 -11.476 -4.428 27 HA LYS 4 HA LYS 4 -0.025 -10.296 -5.521 28 HB2 LYS 4 HB2 LYS 4 -2.427 -8.691 -6.611 29 HB3 LYS 4 HB3 LYS 4 -0.767 -8.433 -7.118 30 HG2 LYS 4 HG2 LYS 4 -0.574 -10.768 -7.926 31 HG3 LYS 4 HG3 LYS 4 -2.163 -11.176 -7.227 32 HD2 LYS 4 HD2 LYS 4 -2.325 -10.887 -9.672 33 HD3 LYS 4 HD3 LYS 4 -3.329 -9.688 -8.820 34 HE2 LYS 4 HE2 LYS 4 -1.663 -7.906 -9.263 35 HE3 LYS 4 HE3 LYS 4 -0.505 -9.102 -9.916 36 HZ1 LYS 4 HZ1 LYS 4 -1.696 -7.861 -11.700 37 HZ2 LYS 4 HZ2 LYS 4 -3.223 -8.449 -11.109 38 HZ3 LYS 4 HZ3 LYS 4 -2.055 -9.556 -11.780 39 HA PRO 5 HA PRO 5 0.961 -7.098 -2.581 40 HB2 PRO 5 HB2 PRO 5 2.937 -5.609 -3.812 41 HB3 PRO 5 HB3 PRO 5 3.179 -7.327 -3.375 42 HG2 PRO 5 HG2 PRO 5 2.243 -6.296 -6.103 43 HG3 PRO 5 HG3 PRO 5 3.697 -7.296 -5.782 44 HD2 PRO 5 HD2 PRO 5 1.420 -8.527 -6.528 45 HD3 PRO 5 HD3 PRO 5 2.287 -9.216 -5.112 46 H LEU 6 H LEU 6 -1.407 -6.454 -3.006 47 HA LEU 6 HA LEU 6 -1.936 -4.219 -4.760 48 HB2 LEU 6 HB2 LEU 6 -3.683 -5.725 -4.032 49 HB3 LEU 6 HB3 LEU 6 -3.451 -5.340 -2.315 50 HG LEU 6 HG LEU 6 -4.152 -3.074 -4.253 51 HD11 LEU 6 HD11 LEU 6 -6.600 -3.515 -3.877 52 HD12 LEU 6 HD12 LEU 6 -6.189 -5.042 -3.038 53 HD13 LEU 6 HD13 LEU 6 -5.827 -4.842 -4.779 54 HD21 LEU 6 HD21 LEU 6 -5.325 -2.160 -2.217 55 HD22 LEU 6 HD22 LEU 6 -3.619 -2.480 -1.837 56 HD23 LEU 6 HD23 LEU 6 -4.880 -3.610 -1.290 57 H LEU 7 H LEU 7 -0.887 -4.595 -1.281 58 HA LEU 7 HA LEU 7 -1.199 -2.038 -0.415 59 HB2 LEU 7 HB2 LEU 7 -0.155 -3.766 1.004 60 HB3 LEU 7 HB3 LEU 7 1.273 -3.830 -0.058 61 HG LEU 7 HG LEU 7 1.910 -1.498 0.600 62 HD11 LEU 7 HD11 LEU 7 0.733 -0.401 2.564 63 HD12 LEU 7 HD12 LEU 7 -0.548 -1.641 2.464 64 HD13 LEU 7 HD13 LEU 7 -0.303 -0.478 1.127 65 HD21 LEU 7 HD21 LEU 7 1.414 -3.353 3.010 66 HD22 LEU 7 HD22 LEU 7 2.604 -2.023 2.938 67 HD23 LEU 7 HD23 LEU 7 2.804 -3.450 1.890 68 H LYS 8 H LYS 8 1.641 -3.157 -2.496 69 HA LYS 8 HA LYS 8 2.828 -0.587 -2.607 70 HB2 LYS 8 HB2 LYS 8 2.821 -2.954 -4.549 71 HB3 LYS 8 HB3 LYS 8 3.499 -1.425 -5.114 72 HG2 LYS 8 HG2 LYS 8 4.460 -2.698 -2.502 73 HG3 LYS 8 HG3 LYS 8 5.170 -3.105 -4.087 74 HD2 LYS 8 HD2 LYS 8 5.711 -0.697 -4.516 75 HD3 LYS 8 HD3 LYS 8 5.128 -0.250 -2.898 76 HE2 LYS 8 HE2 LYS 8 7.464 -2.175 -3.481 77 HE3 LYS 8 HE3 LYS 8 7.618 -0.451 -3.062 78 HZ1 LYS 8 HZ1 LYS 8 6.512 -2.621 -1.253 79 HZ2 LYS 8 HZ2 LYS 8 6.500 -0.910 -0.885 80 HZ3 LYS 8 HZ3 LYS 8 8.000 -1.764 -1.086 81 H ILE 9 H ILE 9 0.227 -2.010 -4.727 82 HA ILE 9 HA ILE 9 0.314 0.229 -6.525 83 HB ILE 9 HB ILE 9 -1.920 -1.801 -6.009 84 HG12 ILE 9 HG11 ILE 9 0.069 -1.544 -8.360 85 HG13 ILE 9 HG12 ILE 9 0.319 -2.633 -6.980 86 HG21 ILE 9 HG21 ILE 9 -1.709 0.319 -8.237 87 HG22 ILE 9 HG22 ILE 9 -2.969 -0.943 -8.129 88 HG23 ILE 9 HG23 ILE 9 -2.899 0.331 -6.908 89 HD11 ILE 9 HD11 ILE 9 -0.585 -3.954 -8.793 90 HD12 ILE 9 HD12 ILE 9 -1.840 -3.833 -7.527 91 HD13 ILE 9 HD13 ILE 9 -1.965 -2.860 -9.026 92 H ALA 10 H ALA 10 -2.077 -0.560 -3.838 93 HA ALA 10 HA ALA 10 -3.429 1.908 -4.055 94 HB1 ALA 10 HB1 ALA 10 -4.315 0.063 -2.659 95 HB2 ALA 10 HB2 ALA 10 -2.943 0.212 -1.519 96 HB3 ALA 10 HB3 ALA 10 -4.140 1.536 -1.663 97 H ALA 11 H ALA 11 -0.496 1.019 -2.051 98 HA ALA 11 HA ALA 11 -0.340 3.413 -0.624 99 HB1 ALA 11 HB1 ALA 11 1.214 1.541 -0.125 100 HB2 ALA 11 HB2 ALA 11 2.034 1.763 -1.698 101 HB3 ALA 11 HB3 ALA 11 2.136 3.034 -0.448 102 H LYS 12 H LYS 12 1.098 2.665 -3.936 103 HA LYS 12 HA LYS 12 2.316 5.168 -4.275 104 HB2 LYS 12 HB2 LYS 12 2.602 3.332 -5.922 105 HB3 LYS 12 HB3 LYS 12 0.891 3.458 -6.410 106 HG2 LYS 12 HG2 LYS 12 1.278 5.795 -7.246 107 HG3 LYS 12 HG3 LYS 12 2.985 5.699 -6.730 108 HD2 LYS 12 HD2 LYS 12 3.351 3.808 -8.354 109 HD3 LYS 12 HD3 LYS 12 1.629 3.874 -8.824 110 HE2 LYS 12 HE2 LYS 12 1.944 6.240 -9.639 111 HE3 LYS 12 HE3 LYS 12 3.667 6.165 -9.178 112 HZ1 LYS 12 HZ1 LYS 12 3.360 5.729 -11.579 113 HZ2 LYS 12 HZ2 LYS 12 2.306 4.389 -11.235 114 HZ3 LYS 12 HZ3 LYS 12 3.993 4.314 -10.789 115 H VAL 13 H VAL 13 -1.151 4.200 -4.938 116 HA VAL 13 HA VAL 13 -1.725 6.774 -6.113 117 HB VAL 13 HB VAL 13 -3.630 4.624 -5.044 118 HG11 VAL 13 HG11 VAL 13 -5.401 5.859 -6.345 119 HG12 VAL 13 HG12 VAL 13 -4.773 6.847 -5.004 120 HG13 VAL 13 HG13 VAL 13 -4.235 7.172 -6.677 121 HG21 VAL 13 HG21 VAL 13 -2.250 3.910 -7.047 122 HG22 VAL 13 HG22 VAL 13 -3.966 4.109 -7.469 123 HG23 VAL 13 HG23 VAL 13 -2.786 5.371 -7.921 124 H GLY 14 H GLY 14 -2.707 5.351 -2.847 125 HA2 GLY 14 HA2 GLY 14 -3.835 7.758 -1.925 126 HA3 GLY 14 HA3 GLY 14 -3.183 6.483 -0.865 127 H SER 15 H SER 15 -0.352 6.772 -2.031 128 HA SER 15 HA SER 15 0.623 8.560 -0.092 129 HB2 SER 15 HB2 SER 15 2.080 6.890 -1.194 130 HB3 SER 15 HB3 SER 15 1.931 7.756 -2.761 131 HG SER 15 HG SER 15 3.878 8.358 -1.542 132 H ASN 16 H ASN 16 -0.571 9.243 -3.451 133 HA ASN 16 HA ASN 16 -0.901 11.274 -4.497 134 HB2 ASN 16 HB2 ASN 16 -0.927 12.384 -1.633 135 HB3 ASN 16 HB3 ASN 16 -1.564 13.174 -3.094 136 HD21 ASN 16 HD21 ASN 16 -3.382 12.955 -1.091 137 HD22 ASN 16 HD22 ASN 16 -4.494 11.673 -1.411 138 H LEU 17 H LEU 17 1.586 10.439 -4.864 139 HA LEU 17 HA LEU 17 3.800 11.068 -5.105 140 HB2 LEU 17 HB2 LEU 17 2.628 13.898 -5.404 141 HB3 LEU 17 HB3 LEU 17 4.192 13.281 -5.974 142 HG LEU 17 HG LEU 17 2.711 11.535 -7.364 143 HD11 LEU 17 HD11 LEU 17 0.523 12.508 -8.138 144 HD12 LEU 17 HD12 LEU 17 0.689 13.848 -6.970 145 HD13 LEU 17 HD13 LEU 17 0.458 12.175 -6.400 146 HD21 LEU 17 HD21 LEU 17 2.936 14.506 -8.153 147 HD22 LEU 17 HD22 LEU 17 2.631 13.159 -9.287 148 HD23 LEU 17 HD23 LEU 17 4.178 13.246 -8.413 149 H LEU 18 H1 LEU 18 3.282 10.594 -2.452 150 HA LEU 18 HA LEU 18 3.961 11.183 -0.295 151 HB2 LEU 18 HB2 LEU 18 6.194 12.472 -1.965 152 HB3 LEU 18 HB3 LEU 18 6.302 12.184 -0.218 153 HG LEU 18 HG LEU 18 5.839 9.899 -2.229 154 HD11 LEU 18 HD11 LEU 18 7.968 11.014 -2.858 155 HD12 LEU 18 HD12 LEU 18 8.302 9.434 -2.104 156 HD13 LEU 18 HD13 LEU 18 8.537 10.937 -1.163 157 HD21 LEU 18 HD21 LEU 18 6.738 8.459 -0.386 158 HD22 LEU 18 HD22 LEU 18 5.343 9.369 0.233 159 HD23 LEU 18 HD23 LEU 18 6.994 9.894 0.644 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 -11.001 -12.014 -3.081 2 HA2 GLY 1 HA2 GLY 1 -9.822 -13.727 -4.477 3 HA3 GLY 1 HA3 GLY 1 -9.339 -12.377 -5.538 4 H LEU 2 H LEU 2 -8.243 -10.423 -4.231 5 HA LEU 2 HA LEU 2 -6.374 -9.749 -3.048 6 HB2 LEU 2 HB2 LEU 2 -8.152 -10.310 -1.300 7 HB3 LEU 2 HB3 LEU 2 -7.269 -11.810 -0.946 8 HG LEU 2 HG LEU 2 -6.175 -8.927 -0.710 9 HD11 LEU 2 HD11 LEU 2 -6.949 -10.961 1.476 10 HD12 LEU 2 HD12 LEU 2 -7.880 -9.498 1.038 11 HD13 LEU 2 HD13 LEU 2 -6.258 -9.337 1.758 12 HD21 LEU 2 HD21 LEU 2 -4.210 -9.989 0.483 13 HD22 LEU 2 HD22 LEU 2 -4.279 -10.436 -1.232 14 HD23 LEU 2 HD23 LEU 2 -4.817 -11.602 0.021 15 H LEU 3 H LEU 3 -4.983 -10.683 -4.818 16 HA LEU 3 HA LEU 3 -3.148 -12.640 -3.598 17 HB2 LEU 3 HB2 LEU 3 -3.172 -14.163 -5.514 18 HB3 LEU 3 HB3 LEU 3 -4.733 -14.191 -4.683 19 HG LEU 3 HG LEU 3 -4.432 -12.306 -7.079 20 HD11 LEU 3 HD11 LEU 3 -5.068 -14.143 -8.655 21 HD12 LEU 3 HD12 LEU 3 -4.880 -15.340 -7.338 22 HD13 LEU 3 HD13 LEU 3 -3.464 -14.424 -7.935 23 HD21 LEU 3 HD21 LEU 3 -6.843 -12.870 -7.423 24 HD22 LEU 3 HD22 LEU 3 -6.587 -12.291 -5.766 25 HD23 LEU 3 HD23 LEU 3 -6.786 -14.036 -6.074 26 H LYS 4 H LYS 4 -2.691 -9.925 -3.964 27 HA LYS 4 HA LYS 4 -0.405 -10.117 -5.830 28 HB2 LYS 4 HB2 LYS 4 -2.831 -8.211 -6.123 29 HB3 LYS 4 HB3 LYS 4 -1.237 -7.700 -6.695 30 HG2 LYS 4 HG2 LYS 4 -1.128 -9.799 -8.154 31 HG3 LYS 4 HG3 LYS 4 -2.834 -10.113 -7.708 32 HD2 LYS 4 HD2 LYS 4 -3.523 -7.940 -8.720 33 HD3 LYS 4 HD3 LYS 4 -1.819 -7.515 -9.031 34 HE2 LYS 4 HE2 LYS 4 -2.836 -8.246 -11.115 35 HE3 LYS 4 HE3 LYS 4 -1.585 -9.417 -10.630 36 HZ1 LYS 4 HZ1 LYS 4 -3.324 -10.981 -9.882 37 HZ2 LYS 4 HZ2 LYS 4 -3.671 -10.471 -11.490 38 HZ3 LYS 4 HZ3 LYS 4 -4.568 -9.783 -10.169 39 HA PRO 5 HA PRO 5 1.033 -7.233 -2.615 40 HB2 PRO 5 HB2 PRO 5 3.015 -5.818 -3.895 41 HB3 PRO 5 HB3 PRO 5 3.167 -7.583 -3.640 42 HG2 PRO 5 HG2 PRO 5 2.089 -6.228 -6.172 43 HG3 PRO 5 HG3 PRO 5 3.485 -7.350 -6.075 44 HD2 PRO 5 HD2 PRO 5 1.018 -8.311 -6.712 45 HD3 PRO 5 HD3 PRO 5 2.004 -9.236 -5.522 46 H LEU 6 H LEU 6 -1.396 -6.500 -3.016 47 HA LEU 6 HA LEU 6 -1.878 -4.294 -4.760 48 HB2 LEU 6 HB2 LEU 6 -3.690 -5.761 -3.711 49 HB3 LEU 6 HB3 LEU 6 -3.285 -5.051 -2.131 50 HG LEU 6 HG LEU 6 -3.949 -2.746 -3.110 51 HD11 LEU 6 HD11 LEU 6 -5.453 -2.752 -5.123 52 HD12 LEU 6 HD12 LEU 6 -5.142 -4.491 -5.368 53 HD13 LEU 6 HD13 LEU 6 -3.834 -3.303 -5.581 54 HD21 LEU 6 HD21 LEU 6 -5.457 -4.022 -1.591 55 HD22 LEU 6 HD22 LEU 6 -6.118 -4.929 -2.982 56 HD23 LEU 6 HD23 LEU 6 -6.402 -3.170 -2.839 57 H LEU 7 H LEU 7 -0.727 -4.596 -1.322 58 HA LEU 7 HA LEU 7 -1.089 -2.091 -0.410 59 HB2 LEU 7 HB2 LEU 7 0.117 -3.865 0.876 60 HB3 LEU 7 HB3 LEU 7 1.520 -3.706 -0.205 61 HG LEU 7 HG LEU 7 1.875 -1.335 0.632 62 HD11 LEU 7 HD11 LEU 7 -0.428 -0.696 1.355 63 HD12 LEU 7 HD12 LEU 7 0.662 -0.627 2.751 64 HD13 LEU 7 HD13 LEU 7 -0.440 -2.017 2.561 65 HD21 LEU 7 HD21 LEU 7 1.768 -3.478 2.846 66 HD22 LEU 7 HD22 LEU 7 2.755 -1.986 2.873 67 HD23 LEU 7 HD23 LEU 7 3.094 -3.255 1.667 68 H LYS 8 H LYS 8 1.670 -3.011 -2.670 69 HA LYS 8 HA LYS 8 2.748 -0.346 -2.671 70 HB2 LYS 8 HB2 LYS 8 3.012 -2.706 -4.604 71 HB3 LYS 8 HB3 LYS 8 3.532 -1.096 -5.131 72 HG2 LYS 8 HG2 LYS 8 5.447 -2.328 -4.208 73 HG3 LYS 8 HG3 LYS 8 5.104 -0.833 -3.303 74 HD2 LYS 8 HD2 LYS 8 3.971 -2.191 -1.495 75 HD3 LYS 8 HD3 LYS 8 4.326 -3.681 -2.411 76 HE2 LYS 8 HE2 LYS 8 6.791 -3.198 -2.216 77 HE3 LYS 8 HE3 LYS 8 6.437 -1.676 -1.353 78 HZ1 LYS 8 HZ1 LYS 8 5.399 -2.953 0.469 79 HZ2 LYS 8 HZ2 LYS 8 7.039 -3.470 0.201 80 HZ3 LYS 8 HZ3 LYS 8 5.721 -4.455 -0.370 81 H ILE 9 H ILE 9 0.259 -1.920 -4.833 82 HA ILE 9 HA ILE 9 0.126 0.353 -6.572 83 HB ILE 9 HB ILE 9 -1.975 -1.776 -5.941 84 HG12 ILE 9 HG11 ILE 9 -0.245 -1.371 -8.458 85 HG13 ILE 9 HG12 ILE 9 0.206 -2.463 -7.133 86 HG21 ILE 9 HG21 ILE 9 -2.078 0.412 -8.105 87 HG22 ILE 9 HG22 ILE 9 -3.251 -0.924 -7.931 88 HG23 ILE 9 HG23 ILE 9 -3.145 0.313 -6.677 89 HD11 ILE 9 HD11 ILE 9 -1.918 -3.786 -7.479 90 HD12 ILE 9 HD12 ILE 9 -2.273 -2.797 -8.929 91 HD13 ILE 9 HD13 ILE 9 -0.813 -3.810 -8.879 92 H ALA 10 H ALA 10 -2.102 -0.590 -3.806 93 HA ALA 10 HA ALA 10 -3.575 1.799 -3.896 94 HB1 ALA 10 HB1 ALA 10 -4.281 -0.149 -2.504 95 HB2 ALA 10 HB2 ALA 10 -2.883 0.089 -1.416 96 HB3 ALA 10 HB3 ALA 10 -4.177 1.323 -1.496 97 H ALA 11 H ALA 11 -0.528 1.044 -2.018 98 HA ALA 11 HA ALA 11 -0.528 3.453 -0.550 99 HB1 ALA 11 HB1 ALA 11 1.041 1.604 0.025 100 HB2 ALA 11 HB2 ALA 11 1.926 1.851 -1.512 101 HB3 ALA 11 HB3 ALA 11 1.941 3.122 -0.256 102 H LYS 12 H LYS 12 1.018 2.710 -3.820 103 HA LYS 12 HA LYS 12 2.200 5.295 -3.962 104 HB2 LYS 12 HB2 LYS 12 2.832 3.381 -5.476 105 HB3 LYS 12 HB3 LYS 12 1.282 3.569 -6.342 106 HG2 LYS 12 HG2 LYS 12 1.936 5.929 -6.974 107 HG3 LYS 12 HG3 LYS 12 3.444 5.751 -6.031 108 HD2 LYS 12 HD2 LYS 12 4.210 3.929 -7.570 109 HD3 LYS 12 HD3 LYS 12 2.676 4.036 -8.474 110 HE2 LYS 12 HE2 LYS 12 4.447 5.197 -9.707 111 HE3 LYS 12 HE3 LYS 12 3.220 6.375 -9.175 112 HZ1 LYS 12 HZ1 LYS 12 5.852 5.882 -7.729 113 HZ2 LYS 12 HZ2 LYS 12 4.716 7.180 -7.424 114 HZ3 LYS 12 HZ3 LYS 12 5.596 7.135 -8.903 115 H VAL 13 H VAL 13 -1.093 4.066 -4.976 116 HA VAL 13 HA VAL 13 -1.782 6.498 -6.327 117 HB VAL 13 HB VAL 13 -3.574 4.391 -4.996 118 HG11 VAL 13 HG11 VAL 13 -5.465 5.456 -6.293 119 HG12 VAL 13 HG12 VAL 13 -4.836 6.536 -5.030 120 HG13 VAL 13 HG13 VAL 13 -4.381 6.805 -6.737 121 HG21 VAL 13 HG21 VAL 13 -2.261 3.627 -7.049 122 HG22 VAL 13 HG22 VAL 13 -4.016 3.675 -7.341 123 HG23 VAL 13 HG23 VAL 13 -2.968 4.979 -7.970 124 H GLY 14 H GLY 14 -2.446 5.408 -2.869 125 HA2 GLY 14 HA2 GLY 14 -3.798 7.885 -2.283 126 HA3 GLY 14 HA3 GLY 14 -3.231 6.701 -1.086 127 H SER 15 H SER 15 -0.482 6.623 -1.370 128 HA SER 15 HA SER 15 0.168 9.037 0.045 129 HB2 SER 15 HB2 SER 15 1.255 6.811 0.475 130 HB3 SER 15 HB3 SER 15 2.142 6.965 -1.079 131 HG SER 15 HG SER 15 3.349 7.854 0.790 132 H ASN 16 H ASN 16 0.957 7.843 -3.314 133 HA ASN 16 HA ASN 16 1.671 9.002 -5.174 134 HB2 ASN 16 HB2 ASN 16 0.926 11.601 -3.743 135 HB3 ASN 16 HB3 ASN 16 1.283 11.362 -5.457 136 HD21 ASN 16 HD21 ASN 16 -1.163 10.737 -2.871 137 HD22 ASN 16 HD22 ASN 16 -2.386 10.202 -3.963 138 H LEU 17 H LEU 17 3.937 8.449 -5.175 139 HA LEU 17 HA LEU 17 6.210 8.852 -4.868 140 HB2 LEU 17 HB2 LEU 17 5.205 11.751 -4.765 141 HB3 LEU 17 HB3 LEU 17 6.869 11.262 -5.132 142 HG LEU 17 HG LEU 17 4.454 10.415 -6.857 143 HD11 LEU 17 HD11 LEU 17 6.313 12.841 -7.249 144 HD12 LEU 17 HD12 LEU 17 4.570 12.895 -6.851 145 HD13 LEU 17 HD13 LEU 17 5.100 12.257 -8.427 146 HD21 LEU 17 HD21 LEU 17 6.202 10.005 -8.616 147 HD22 LEU 17 HD22 LEU 17 6.546 9.013 -7.184 148 HD23 LEU 17 HD23 LEU 17 7.482 10.504 -7.475 149 H LEU 18 H1 LEU 18 5.353 7.755 -2.694 150 HA LEU 18 HA LEU 18 5.585 7.635 -0.413 151 HB2 LEU 18 HB2 LEU 18 8.006 7.841 -1.272 152 HB3 LEU 18 HB3 LEU 18 7.909 9.579 -0.924 153 HG LEU 18 HG LEU 18 7.366 8.908 1.549 154 HD11 LEU 18 HD11 LEU 18 8.178 6.637 2.272 155 HD12 LEU 18 HD12 LEU 18 8.406 6.167 0.567 156 HD13 LEU 18 HD13 LEU 18 6.770 6.480 1.208 157 HD21 LEU 18 HD21 LEU 18 9.587 9.805 0.863 158 HD22 LEU 18 HD22 LEU 18 10.118 8.166 0.381 159 HD23 LEU 18 HD23 LEU 18 9.779 8.536 2.098 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 -10.180 -14.898 -5.126 2 HA2 GLY 1 HA2 GLY 1 -8.777 -12.962 -5.864 3 HA3 GLY 1 HA3 GLY 1 -9.993 -12.460 -4.647 4 H LEU 2 H LEU 2 -7.937 -10.768 -4.683 5 HA LEU 2 HA LEU 2 -6.210 -9.875 -3.455 6 HB2 LEU 2 HB2 LEU 2 -8.112 -10.352 -1.762 7 HB3 LEU 2 HB3 LEU 2 -7.162 -11.737 -1.208 8 HG LEU 2 HG LEU 2 -6.769 -9.909 0.294 9 HD11 LEU 2 HD11 LEU 2 -4.712 -11.236 -0.262 10 HD12 LEU 2 HD12 LEU 2 -4.332 -9.561 0.220 11 HD13 LEU 2 HD13 LEU 2 -4.263 -10.019 -1.500 12 HD21 LEU 2 HD21 LEU 2 -6.009 -7.663 -0.284 13 HD22 LEU 2 HD22 LEU 2 -7.496 -8.019 -1.199 14 HD23 LEU 2 HD23 LEU 2 -5.904 -8.059 -2.012 15 H LEU 3 H LEU 3 -4.519 -10.840 -4.870 16 HA LEU 3 HA LEU 3 -2.847 -12.727 -3.332 17 HB2 LEU 3 HB2 LEU 3 -2.721 -14.378 -5.137 18 HB3 LEU 3 HB3 LEU 3 -4.365 -14.302 -4.491 19 HG LEU 3 HG LEU 3 -3.712 -12.607 -6.962 20 HD11 LEU 3 HD11 LEU 3 -4.269 -14.532 -8.462 21 HD12 LEU 3 HD12 LEU 3 -4.300 -15.630 -7.051 22 HD13 LEU 3 HD13 LEU 3 -2.774 -14.833 -7.542 23 HD21 LEU 3 HD21 LEU 3 -6.013 -12.393 -5.930 24 HD22 LEU 3 HD22 LEU 3 -6.250 -14.151 -6.106 25 HD23 LEU 3 HD23 LEU 3 -6.091 -13.111 -7.548 26 H LYS 4 H LYS 4 -2.377 -9.980 -3.974 27 HA LYS 4 HA LYS 4 0.041 -10.244 -5.671 28 HB2 LYS 4 HB2 LYS 4 -2.643 -9.068 -6.475 29 HB3 LYS 4 HB3 LYS 4 -1.266 -8.032 -6.861 30 HG2 LYS 4 HG2 LYS 4 -0.264 -9.643 -8.340 31 HG3 LYS 4 HG3 LYS 4 -1.246 -10.984 -7.716 32 HD2 LYS 4 HD2 LYS 4 -3.308 -10.058 -8.667 33 HD3 LYS 4 HD3 LYS 4 -2.423 -8.645 -9.310 34 HE2 LYS 4 HE2 LYS 4 -1.071 -10.113 -10.781 35 HE3 LYS 4 HE3 LYS 4 -1.777 -11.581 -10.052 36 HZ1 LYS 4 HZ1 LYS 4 -2.823 -11.049 -12.214 37 HZ2 LYS 4 HZ2 LYS 4 -3.348 -9.503 -11.606 38 HZ3 LYS 4 HZ3 LYS 4 -3.982 -10.982 -10.921 39 HA PRO 5 HA PRO 5 1.190 -7.039 -2.784 40 HB2 PRO 5 HB2 PRO 5 3.003 -5.485 -4.136 41 HB3 PRO 5 HB3 PRO 5 3.316 -7.224 -3.850 42 HG2 PRO 5 HG2 PRO 5 2.079 -6.022 -6.382 43 HG3 PRO 5 HG3 PRO 5 3.560 -7.026 -6.288 44 HD2 PRO 5 HD2 PRO 5 1.153 -8.190 -6.845 45 HD3 PRO 5 HD3 PRO 5 2.244 -9.011 -5.670 46 H LEU 6 H LEU 6 -1.219 -6.434 -2.960 47 HA LEU 6 HA LEU 6 -1.971 -4.308 -4.774 48 HB2 LEU 6 HB2 LEU 6 -3.460 -6.092 -3.499 49 HB3 LEU 6 HB3 LEU 6 -3.450 -4.917 -2.165 50 HG LEU 6 HG LEU 6 -4.463 -4.498 -5.069 51 HD11 LEU 6 HD11 LEU 6 -6.032 -4.764 -2.427 52 HD12 LEU 6 HD12 LEU 6 -5.912 -6.010 -3.706 53 HD13 LEU 6 HD13 LEU 6 -6.738 -4.468 -4.044 54 HD21 LEU 6 HD21 LEU 6 -4.499 -2.568 -2.673 55 HD22 LEU 6 HD22 LEU 6 -5.472 -2.336 -4.158 56 HD23 LEU 6 HD23 LEU 6 -3.704 -2.308 -4.261 57 H LEU 7 H LEU 7 -0.930 -4.545 -1.274 58 HA LEU 7 HA LEU 7 -1.145 -1.981 -0.422 59 HB2 LEU 7 HB2 LEU 7 -0.125 -3.787 0.871 60 HB3 LEU 7 HB3 LEU 7 1.354 -3.765 -0.110 61 HG LEU 7 HG LEU 7 0.410 -1.312 1.509 62 HD11 LEU 7 HD11 LEU 7 2.267 -3.581 2.462 63 HD12 LEU 7 HD12 LEU 7 0.629 -3.233 3.091 64 HD13 LEU 7 HD13 LEU 7 1.943 -2.064 3.351 65 HD21 LEU 7 HD21 LEU 7 2.241 -0.737 -0.109 66 HD22 LEU 7 HD22 LEU 7 3.192 -2.142 0.435 67 HD23 LEU 7 HD23 LEU 7 2.898 -0.761 1.523 68 H LYS 8 H LYS 8 1.626 -3.112 -2.585 69 HA LYS 8 HA LYS 8 2.895 -0.593 -2.628 70 HB2 LYS 8 HB2 LYS 8 2.730 -2.691 -4.878 71 HB3 LYS 8 HB3 LYS 8 3.733 -1.219 -4.961 72 HG2 LYS 8 HG2 LYS 8 4.985 -1.911 -2.906 73 HG3 LYS 8 HG3 LYS 8 4.046 -3.424 -2.831 74 HD2 LYS 8 HD2 LYS 8 4.921 -4.069 -5.111 75 HD3 LYS 8 HD3 LYS 8 5.848 -2.546 -5.184 76 HE2 LYS 8 HE2 LYS 8 7.158 -3.233 -3.151 77 HE3 LYS 8 HE3 LYS 8 6.240 -4.765 -3.079 78 HZ1 LYS 8 HZ1 LYS 8 7.121 -5.369 -5.312 79 HZ2 LYS 8 HZ2 LYS 8 8.419 -5.061 -4.192 80 HZ3 LYS 8 HZ3 LYS 8 8.009 -3.868 -5.386 81 H ILE 9 H ILE 9 0.204 -1.814 -4.774 82 HA ILE 9 HA ILE 9 0.309 0.601 -6.382 83 HB ILE 9 HB ILE 9 -1.988 -1.412 -6.092 84 HG12 ILE 9 HG11 ILE 9 -0.042 -2.617 -6.963 85 HG13 ILE 9 HG12 ILE 9 -1.235 -2.372 -8.245 86 HG21 ILE 9 HG21 ILE 9 -1.546 0.853 -8.132 87 HG22 ILE 9 HG22 ILE 9 -2.767 -0.441 -8.295 88 HG23 ILE 9 HG23 ILE 9 -2.858 0.705 -6.939 89 HD11 ILE 9 HD11 ILE 9 0.189 -0.460 -9.163 90 HD12 ILE 9 HD12 ILE 9 1.413 -0.815 -7.903 91 HD13 ILE 9 HD13 ILE 9 1.021 -2.034 -9.135 92 H ALA 10 H ALA 10 -1.954 -0.516 -3.712 93 HA ALA 10 HA ALA 10 -3.536 1.805 -3.753 94 HB1 ALA 10 HB1 ALA 10 -4.144 -0.139 -2.336 95 HB2 ALA 10 HB2 ALA 10 -2.709 0.117 -1.299 96 HB3 ALA 10 HB3 ALA 10 -4.029 1.327 -1.324 97 H ALA 11 H ALA 11 -0.407 1.176 -1.963 98 HA ALA 11 HA ALA 11 -0.390 3.671 -0.608 99 HB1 ALA 11 HB1 ALA 11 2.023 2.007 -1.587 100 HB2 ALA 11 HB2 ALA 11 2.087 3.349 -0.407 101 HB3 ALA 11 HB3 ALA 11 1.203 1.847 -0.007 102 H LYS 12 H LYS 12 1.045 2.683 -3.852 103 HA LYS 12 HA LYS 12 2.224 5.181 -4.349 104 HB2 LYS 12 HB2 LYS 12 2.565 3.137 -5.790 105 HB3 LYS 12 HB3 LYS 12 0.930 3.351 -6.473 106 HG2 LYS 12 HG2 LYS 12 1.600 5.642 -7.306 107 HG3 LYS 12 HG3 LYS 12 3.245 5.390 -6.653 108 HD2 LYS 12 HD2 LYS 12 3.428 3.316 -8.155 109 HD3 LYS 12 HD3 LYS 12 1.872 3.774 -8.895 110 HE2 LYS 12 HE2 LYS 12 4.490 5.420 -8.912 111 HE3 LYS 12 HE3 LYS 12 3.784 4.525 -10.282 112 HZ1 LYS 12 HZ1 LYS 12 1.785 6.052 -10.135 113 HZ2 LYS 12 HZ2 LYS 12 3.275 6.853 -10.558 114 HZ3 LYS 12 HZ3 LYS 12 2.657 7.019 -8.961 115 H VAL 13 H VAL 13 -1.203 4.070 -5.016 116 HA VAL 13 HA VAL 13 -1.848 6.540 -6.368 117 HB VAL 13 HB VAL 13 -3.684 4.457 -5.054 118 HG11 VAL 13 HG11 VAL 13 -4.412 6.889 -6.812 119 HG12 VAL 13 HG12 VAL 13 -5.534 5.579 -6.343 120 HG13 VAL 13 HG13 VAL 13 -4.856 6.654 -5.096 121 HG21 VAL 13 HG21 VAL 13 -4.137 3.765 -7.405 122 HG22 VAL 13 HG22 VAL 13 -3.020 5.018 -8.018 123 HG23 VAL 13 HG23 VAL 13 -2.390 3.637 -7.078 124 H GLY 14 H GLY 14 -2.587 5.347 -2.967 125 HA2 GLY 14 HA2 GLY 14 -3.799 7.818 -2.228 126 HA3 GLY 14 HA3 GLY 14 -3.192 6.596 -1.092 127 H SER 15 H SER 15 -0.613 6.484 -0.968 128 HA SER 15 HA SER 15 0.154 8.916 0.181 129 HB2 SER 15 HB2 SER 15 1.373 6.789 0.654 130 HB3 SER 15 HB3 SER 15 2.064 6.802 -0.997 131 HG SER 15 HG SER 15 3.507 7.858 0.570 132 H ASN 16 H ASN 16 0.985 7.639 -3.157 133 HA ASN 16 HA ASN 16 1.791 8.771 -5.003 134 HB2 ASN 16 HB2 ASN 16 -0.364 10.150 -4.362 135 HB3 ASN 16 HB3 ASN 16 0.770 11.397 -3.795 136 HD21 ASN 16 HD21 ASN 16 -0.019 9.301 -6.710 137 HD22 ASN 16 HD22 ASN 16 0.495 10.482 -7.858 138 H LEU 17 H LEU 17 3.362 10.768 -5.659 139 HA LEU 17 HA LEU 17 5.613 11.306 -5.450 140 HB2 LEU 17 HB2 LEU 17 4.912 11.761 -2.499 141 HB3 LEU 17 HB3 LEU 17 6.224 12.527 -3.415 142 HG LEU 17 HG LEU 17 3.199 12.940 -3.926 143 HD11 LEU 17 HD11 LEU 17 3.932 13.936 -1.763 144 HD12 LEU 17 HD12 LEU 17 3.545 15.211 -2.949 145 HD13 LEU 17 HD13 LEU 17 5.253 14.813 -2.594 146 HD21 LEU 17 HD21 LEU 17 4.469 13.297 -6.041 147 HD22 LEU 17 HD22 LEU 17 5.652 14.330 -5.185 148 HD23 LEU 17 HD23 LEU 17 3.961 14.864 -5.387 149 H LEU 18 H1 LEU 18 5.034 8.589 -5.536 150 HA LEU 18 HA LEU 18 5.901 6.538 -4.980 151 HB2 LEU 18 HB2 LEU 18 7.879 8.122 -5.800 152 HB3 LEU 18 HB3 LEU 18 8.453 8.005 -4.120 153 HG LEU 18 HG LEU 18 7.955 5.666 -6.087 154 HD11 LEU 18 HD11 LEU 18 10.600 6.805 -4.981 155 HD12 LEU 18 HD12 LEU 18 9.971 7.047 -6.638 156 HD13 LEU 18 HD13 LEU 18 10.432 5.414 -6.091 157 HD21 LEU 18 HD21 LEU 18 7.518 4.858 -3.772 158 HD22 LEU 18 HD22 LEU 18 9.053 5.586 -3.202 159 HD23 LEU 18 HD23 LEU 18 9.070 4.212 -4.349 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 -6.984 -7.757 -6.740 2 HA2 GLY 1 HA2 GLY 1 -9.129 -9.379 -5.447 3 HA3 GLY 1 HA3 GLY 1 -7.900 -10.087 -6.539 4 H LEU 2 H LEU 2 -8.025 -11.273 -4.069 5 HA LEU 2 HA LEU 2 -5.925 -9.940 -2.370 6 HB2 LEU 2 HB2 LEU 2 -7.837 -12.269 -1.784 7 HB3 LEU 2 HB3 LEU 2 -6.583 -11.662 -0.680 8 HG LEU 2 HG LEU 2 -8.791 -10.898 -0.011 9 HD11 LEU 2 HD11 LEU 2 -7.190 -8.460 -1.010 10 HD12 LEU 2 HD12 LEU 2 -6.801 -9.418 0.453 11 HD13 LEU 2 HD13 LEU 2 -8.341 -8.520 0.347 12 HD21 LEU 2 HD21 LEU 2 -9.896 -10.799 -2.291 13 HD22 LEU 2 HD22 LEU 2 -9.045 -9.252 -2.600 14 HD23 LEU 2 HD23 LEU 2 -10.210 -9.373 -1.265 15 H LEU 3 H LEU 3 -4.675 -10.621 -4.611 16 HA LEU 3 HA LEU 3 -3.001 -12.785 -3.583 17 HB2 LEU 3 HB2 LEU 3 -3.057 -14.194 -5.573 18 HB3 LEU 3 HB3 LEU 3 -4.640 -14.189 -4.784 19 HG LEU 3 HG LEU 3 -4.137 -12.243 -7.104 20 HD11 LEU 3 HD11 LEU 3 -4.893 -15.213 -7.421 21 HD12 LEU 3 HD12 LEU 3 -3.380 -14.442 -7.987 22 HD13 LEU 3 HD13 LEU 3 -4.938 -13.985 -8.720 23 HD21 LEU 3 HD21 LEU 3 -6.301 -12.046 -5.816 24 HD22 LEU 3 HD22 LEU 3 -6.670 -13.751 -6.175 25 HD23 LEU 3 HD23 LEU 3 -6.582 -12.550 -7.493 26 H LYS 4 H LYS 4 -2.454 -10.018 -3.849 27 HA LYS 4 HA LYS 4 -0.081 -10.229 -5.552 28 HB2 LYS 4 HB2 LYS 4 -2.545 -8.486 -6.243 29 HB3 LYS 4 HB3 LYS 4 -0.939 -7.862 -6.624 30 HG2 LYS 4 HG2 LYS 4 -0.496 -10.079 -7.921 31 HG3 LYS 4 HG3 LYS 4 -2.259 -10.368 -7.798 32 HD2 LYS 4 HD2 LYS 4 -2.680 -8.172 -8.957 33 HD3 LYS 4 HD3 LYS 4 -0.919 -7.891 -9.058 34 HE2 LYS 4 HE2 LYS 4 -0.666 -10.009 -10.421 35 HE3 LYS 4 HE3 LYS 4 -2.440 -10.215 -10.388 36 HZ1 LYS 4 HZ1 LYS 4 -1.697 -9.136 -12.470 37 HZ2 LYS 4 HZ2 LYS 4 -0.930 -7.855 -11.582 38 HZ3 LYS 4 HZ3 LYS 4 -2.668 -8.024 -11.545 39 HA PRO 5 HA PRO 5 1.063 -7.110 -2.463 40 HB2 PRO 5 HB2 PRO 5 2.966 -5.587 -3.756 41 HB3 PRO 5 HB3 PRO 5 3.252 -7.314 -3.384 42 HG2 PRO 5 HG2 PRO 5 2.177 -6.208 -6.032 43 HG3 PRO 5 HG3 PRO 5 3.650 -7.206 -5.811 44 HD2 PRO 5 HD2 PRO 5 1.317 -8.417 -6.485 45 HD3 PRO 5 HD3 PRO 5 2.291 -9.166 -5.172 46 H LEU 6 H LEU 6 -1.341 -6.509 -2.819 47 HA LEU 6 HA LEU 6 -2.015 -4.439 -4.708 48 HB2 LEU 6 HB2 LEU 6 -3.571 -6.103 -3.456 49 HB3 LEU 6 HB3 LEU 6 -3.474 -5.002 -2.062 50 HG LEU 6 HG LEU 6 -4.577 -4.393 -4.893 51 HD11 LEU 6 HD11 LEU 6 -6.026 -5.913 -3.513 52 HD12 LEU 6 HD12 LEU 6 -6.801 -4.329 -3.768 53 HD13 LEU 6 HD13 LEU 6 -6.037 -4.703 -2.195 54 HD21 LEU 6 HD21 LEU 6 -3.738 -2.268 -4.076 55 HD22 LEU 6 HD22 LEU 6 -4.359 -2.567 -2.420 56 HD23 LEU 6 HD23 LEU 6 -5.478 -2.244 -3.776 57 H LEU 7 H LEU 7 -1.005 -4.541 -1.191 58 HA LEU 7 HA LEU 7 -1.171 -1.973 -0.451 59 HB2 LEU 7 HB2 LEU 7 -0.080 -3.674 0.973 60 HB3 LEU 7 HB3 LEU 7 1.286 -3.795 -0.158 61 HG LEU 7 HG LEU 7 2.003 -1.460 0.402 62 HD11 LEU 7 HD11 LEU 7 0.948 -0.287 2.388 63 HD12 LEU 7 HD12 LEU 7 -0.354 -1.508 2.397 64 HD13 LEU 7 HD13 LEU 7 -0.168 -0.389 1.014 65 HD21 LEU 7 HD21 LEU 7 1.598 -3.247 2.880 66 HD22 LEU 7 HD22 LEU 7 2.806 -1.936 2.710 67 HD23 LEU 7 HD23 LEU 7 2.925 -3.395 1.687 68 H LYS 8 H LYS 8 1.538 -3.176 -2.658 69 HA LYS 8 HA LYS 8 2.820 -0.668 -2.789 70 HB2 LYS 8 HB2 LYS 8 2.628 -2.995 -4.764 71 HB3 LYS 8 HB3 LYS 8 3.296 -1.478 -5.369 72 HG2 LYS 8 HG2 LYS 8 4.427 -2.785 -2.838 73 HG3 LYS 8 HG3 LYS 8 5.002 -3.186 -4.477 74 HD2 LYS 8 HD2 LYS 8 5.587 -0.798 -4.921 75 HD3 LYS 8 HD3 LYS 8 5.070 -0.338 -3.283 76 HE2 LYS 8 HE2 LYS 8 6.820 -1.832 -2.300 77 HE3 LYS 8 HE3 LYS 8 7.338 -2.312 -3.940 78 HZ1 LYS 8 HZ1 LYS 8 7.413 0.518 -2.834 79 HZ2 LYS 8 HZ2 LYS 8 7.918 0.040 -4.433 80 HZ3 LYS 8 HZ3 LYS 8 8.781 -0.538 -3.040 81 H ILE 9 H ILE 9 0.029 -1.875 -4.793 82 HA ILE 9 HA ILE 9 0.116 0.479 -6.482 83 HB ILE 9 HB ILE 9 -2.061 -1.634 -6.038 84 HG12 ILE 9 HG11 ILE 9 -1.622 -2.173 -8.428 85 HG13 ILE 9 HG12 ILE 9 -0.398 -0.884 -8.534 86 HG21 ILE 9 HG21 ILE 9 -2.204 0.870 -7.822 87 HG22 ILE 9 HG22 ILE 9 -3.335 -0.512 -7.905 88 HG23 ILE 9 HG23 ILE 9 -3.273 0.486 -6.439 89 HD11 ILE 9 HD11 ILE 9 -0.189 -3.387 -6.734 90 HD12 ILE 9 HD12 ILE 9 0.581 -3.196 -8.331 91 HD13 ILE 9 HD13 ILE 9 1.097 -2.154 -6.987 92 H ALA 10 H ALA 10 -1.995 -0.488 -3.644 93 HA ALA 10 HA ALA 10 -3.467 1.915 -3.619 94 HB1 ALA 10 HB1 ALA 10 -4.095 -0.025 -2.183 95 HB2 ALA 10 HB2 ALA 10 -2.612 0.187 -1.205 96 HB3 ALA 10 HB3 ALA 10 -3.889 1.441 -1.182 97 H ALA 11 H ALA 11 -0.262 1.131 -2.062 98 HA ALA 11 HA ALA 11 -0.078 3.593 -0.635 99 HB1 ALA 11 HB1 ALA 11 2.381 3.145 -0.542 100 HB2 ALA 11 HB2 ALA 11 1.444 1.674 -0.143 101 HB3 ALA 11 HB3 ALA 11 2.206 1.841 -1.753 102 H LYS 12 H LYS 12 1.095 2.598 -3.970 103 HA LYS 12 HA LYS 12 2.445 4.995 -4.497 104 HB2 LYS 12 HB2 LYS 12 2.464 2.912 -6.017 105 HB3 LYS 12 HB3 LYS 12 0.804 3.323 -6.487 106 HG2 LYS 12 HG2 LYS 12 1.890 4.288 -8.283 107 HG3 LYS 12 HG3 LYS 12 1.960 5.693 -7.205 108 HD2 LYS 12 HD2 LYS 12 4.180 3.610 -7.760 109 HD3 LYS 12 HD3 LYS 12 4.107 5.287 -8.358 110 HE2 LYS 12 HE2 LYS 12 4.253 6.097 -5.938 111 HE3 LYS 12 HE3 LYS 12 4.530 4.395 -5.442 112 HZ1 LYS 12 HZ1 LYS 12 6.283 5.984 -7.336 113 HZ2 LYS 12 HZ2 LYS 12 6.521 4.312 -6.891 114 HZ3 LYS 12 HZ3 LYS 12 6.651 5.566 -5.691 115 H VAL 13 H VAL 13 -1.080 4.198 -5.040 116 HA VAL 13 HA VAL 13 -1.516 6.838 -6.216 117 HB VAL 13 HB VAL 13 -3.515 4.690 -5.310 118 HG11 VAL 13 HG11 VAL 13 -3.988 7.307 -6.873 119 HG12 VAL 13 HG12 VAL 13 -5.195 6.012 -6.626 120 HG13 VAL 13 HG13 VAL 13 -4.594 6.941 -5.232 121 HG21 VAL 13 HG21 VAL 13 -2.067 4.006 -7.259 122 HG22 VAL 13 HG22 VAL 13 -3.760 4.259 -7.750 123 HG23 VAL 13 HG23 VAL 13 -2.531 5.501 -8.120 124 H GLY 14 H GLY 14 -2.636 5.243 -3.101 125 HA2 GLY 14 HA2 GLY 14 -3.921 7.478 -2.106 126 HA3 GLY 14 HA3 GLY 14 -3.168 6.245 -1.060 127 H SER 15 H SER 15 -0.370 6.671 -1.781 128 HA SER 15 HA SER 15 0.445 8.379 0.136 129 HB2 SER 15 HB2 SER 15 2.119 7.130 -1.178 130 HB3 SER 15 HB3 SER 15 1.754 8.092 -2.638 131 HG SER 15 HG SER 15 2.899 9.174 -0.232 132 H ASN 16 H ASN 16 -0.317 9.479 -3.287 133 HA ASN 16 HA ASN 16 0.195 12.240 -2.605 134 HB2 ASN 16 HB2 ASN 16 0.248 11.526 -4.965 135 HB3 ASN 16 HB3 ASN 16 -1.465 11.052 -4.900 136 HD21 ASN 16 HD21 ASN 16 0.727 13.964 -4.370 137 HD22 ASN 16 HD22 ASN 16 -0.460 15.106 -4.877 138 H LEU 17 H LEU 17 -1.111 13.162 -0.887 139 HA LEU 17 HA LEU 17 -3.050 13.778 0.235 140 HB2 LEU 17 HB2 LEU 17 -4.257 13.585 -2.576 141 HB3 LEU 17 HB3 LEU 17 -4.819 14.630 -1.250 142 HG LEU 17 HG LEU 17 -2.100 14.890 -2.697 143 HD11 LEU 17 HD11 LEU 17 -4.652 16.595 -2.967 144 HD12 LEU 17 HD12 LEU 17 -4.022 15.455 -4.192 145 HD13 LEU 17 HD13 LEU 17 -3.088 16.912 -3.772 146 HD21 LEU 17 HD21 LEU 17 -1.979 17.134 -1.535 147 HD22 LEU 17 HD22 LEU 17 -1.931 15.789 -0.376 148 HD23 LEU 17 HD23 LEU 17 -3.445 16.716 -0.602 149 H LEU 18 H1 LEU 18 -2.595 11.033 0.590 150 HA LEU 18 HA LEU 18 -3.779 9.095 1.176 151 HB2 LEU 18 HB2 LEU 18 -5.761 11.360 1.798 152 HB3 LEU 18 HB3 LEU 18 -6.199 9.668 2.083 153 HG LEU 18 HG LEU 18 -5.419 10.887 4.117 154 HD11 LEU 18 HD11 LEU 18 -5.345 8.390 4.022 155 HD12 LEU 18 HD12 LEU 18 -4.062 9.064 5.059 156 HD13 LEU 18 HD13 LEU 18 -3.657 8.445 3.440 157 HD21 LEU 18 HD21 LEU 18 -2.571 10.742 2.962 158 HD22 LEU 18 HD22 LEU 18 -3.081 11.429 4.520 159 HD23 LEU 18 HD23 LEU 18 -3.562 12.235 3.000 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 -2.871 -18.916 -4.996 2 HA2 GLY 1 HA2 GLY 1 -1.288 -17.096 -3.230 3 HA3 GLY 1 HA3 GLY 1 -0.886 -17.380 -4.946 4 H LEU 2 H LEU 2 -4.031 -16.771 -3.158 5 HA LEU 2 HA LEU 2 -4.758 -14.816 -5.266 6 HB2 LEU 2 HB2 LEU 2 -6.351 -16.601 -4.407 7 HB3 LEU 2 HB3 LEU 2 -6.298 -15.815 -2.814 8 HG LEU 2 HG LEU 2 -7.300 -13.706 -3.902 9 HD11 LEU 2 HD11 LEU 2 -6.697 -14.046 -6.298 10 HD12 LEU 2 HD12 LEU 2 -8.461 -14.008 -6.131 11 HD13 LEU 2 HD13 LEU 2 -7.628 -15.572 -6.338 12 HD21 LEU 2 HD21 LEU 2 -8.940 -16.304 -4.148 13 HD22 LEU 2 HD22 LEU 2 -9.612 -14.652 -4.023 14 HD23 LEU 2 HD23 LEU 2 -8.712 -15.349 -2.652 15 H LEU 3 H LEU 3 -2.649 -13.563 -4.327 16 HA LEU 3 HA LEU 3 -3.775 -11.330 -2.883 17 HB2 LEU 3 HB2 LEU 3 -2.241 -11.366 -0.947 18 HB3 LEU 3 HB3 LEU 3 -3.468 -12.626 -0.843 19 HG LEU 3 HG LEU 3 -0.836 -13.474 -2.118 20 HD11 LEU 3 HD11 LEU 3 -1.088 -12.947 0.908 21 HD12 LEU 3 HD12 LEU 3 -0.002 -12.088 -0.227 22 HD13 LEU 3 HD13 LEU 3 0.256 -13.819 0.113 23 HD21 LEU 3 HD21 LEU 3 -2.733 -15.098 -1.778 24 HD22 LEU 3 HD22 LEU 3 -2.645 -14.825 -0.019 25 HD23 LEU 3 HD23 LEU 3 -1.271 -15.574 -0.882 26 H LYS 4 H LYS 4 -2.914 -10.847 -5.246 27 HA LYS 4 HA LYS 4 -0.123 -10.503 -5.578 28 HB2 LYS 4 HB2 LYS 4 -2.508 -8.859 -6.615 29 HB3 LYS 4 HB3 LYS 4 -0.852 -8.380 -7.018 30 HG2 LYS 4 HG2 LYS 4 -0.410 -10.692 -7.960 31 HG3 LYS 4 HG3 LYS 4 -2.127 -11.088 -7.746 32 HD2 LYS 4 HD2 LYS 4 -0.910 -8.841 -9.497 33 HD3 LYS 4 HD3 LYS 4 -1.561 -10.386 -10.090 34 HE2 LYS 4 HE2 LYS 4 -3.202 -8.111 -8.793 35 HE3 LYS 4 HE3 LYS 4 -3.131 -8.542 -10.513 36 HZ1 LYS 4 HZ1 LYS 4 -4.307 -10.245 -8.290 37 HZ2 LYS 4 HZ2 LYS 4 -4.076 -10.792 -9.940 38 HZ3 LYS 4 HZ3 LYS 4 -5.145 -9.468 -9.581 39 HA PRO 5 HA PRO 5 0.657 -7.444 -2.428 40 HB2 PRO 5 HB2 PRO 5 2.807 -6.016 -3.404 41 HB3 PRO 5 HB3 PRO 5 2.923 -7.761 -3.035 42 HG2 PRO 5 HG2 PRO 5 2.296 -6.550 -5.780 43 HG3 PRO 5 HG3 PRO 5 3.664 -7.639 -5.381 44 HD2 PRO 5 HD2 PRO 5 1.380 -8.700 -6.387 45 HD3 PRO 5 HD3 PRO 5 2.110 -9.512 -4.951 46 H LEU 6 H LEU 6 -1.608 -6.583 -2.942 47 HA LEU 6 HA LEU 6 -1.970 -4.396 -4.718 48 HB2 LEU 6 HB2 LEU 6 -3.861 -5.679 -3.584 49 HB3 LEU 6 HB3 LEU 6 -3.360 -4.970 -2.031 50 HG LEU 6 HG LEU 6 -3.870 -2.645 -3.040 51 HD11 LEU 6 HD11 LEU 6 -5.418 -2.563 -5.013 52 HD12 LEU 6 HD12 LEU 6 -5.255 -4.328 -5.231 53 HD13 LEU 6 HD13 LEU 6 -3.859 -3.253 -5.501 54 HD21 LEU 6 HD21 LEU 6 -6.201 -4.640 -2.805 55 HD22 LEU 6 HD22 LEU 6 -6.339 -2.861 -2.696 56 HD23 LEU 6 HD23 LEU 6 -5.428 -3.758 -1.456 57 H LEU 7 H LEU 7 -0.820 -4.604 -1.269 58 HA LEU 7 HA LEU 7 -1.071 -2.089 -0.418 59 HB2 LEU 7 HB2 LEU 7 0.111 -3.815 0.907 60 HB3 LEU 7 HB3 LEU 7 1.482 -3.792 -0.229 61 HG LEU 7 HG LEU 7 2.057 -1.450 0.470 62 HD11 LEU 7 HD11 LEU 7 -0.287 -1.756 2.459 63 HD12 LEU 7 HD12 LEU 7 -0.179 -0.553 1.141 64 HD13 LEU 7 HD13 LEU 7 0.936 -0.458 2.514 65 HD21 LEU 7 HD21 LEU 7 3.085 -3.407 1.654 66 HD22 LEU 7 HD22 LEU 7 1.758 -3.383 2.850 67 HD23 LEU 7 HD23 LEU 7 2.897 -2.008 2.743 68 H LYS 8 H LYS 8 1.629 -3.064 -2.721 69 HA LYS 8 HA LYS 8 2.796 -0.431 -2.676 70 HB2 LYS 8 HB2 LYS 8 2.933 -2.702 -4.741 71 HB3 LYS 8 HB3 LYS 8 3.629 -1.103 -5.083 72 HG2 LYS 8 HG2 LYS 8 5.373 -2.597 -4.248 73 HG3 LYS 8 HG3 LYS 8 5.144 -1.199 -3.167 74 HD2 LYS 8 HD2 LYS 8 3.877 -2.618 -1.546 75 HD3 LYS 8 HD3 LYS 8 3.985 -4.007 -2.665 76 HE2 LYS 8 HE2 LYS 8 6.491 -3.969 -2.475 77 HE3 LYS 8 HE3 LYS 8 6.383 -2.582 -1.355 78 HZ1 LYS 8 HZ1 LYS 8 5.123 -3.987 0.231 79 HZ2 LYS 8 HZ2 LYS 8 6.656 -4.714 -0.151 80 HZ3 LYS 8 HZ3 LYS 8 5.201 -5.342 -0.870 81 H ILE 9 H ILE 9 0.269 -1.943 -4.832 82 HA ILE 9 HA ILE 9 0.169 0.335 -6.578 83 HB ILE 9 HB ILE 9 -1.930 -1.810 -5.984 84 HG12 ILE 9 HG11 ILE 9 -0.134 -1.424 -8.462 85 HG13 ILE 9 HG12 ILE 9 0.280 -2.503 -7.113 86 HG21 ILE 9 HG21 ILE 9 -3.161 -0.981 -8.012 87 HG22 ILE 9 HG22 ILE 9 -3.087 0.271 -6.770 88 HG23 ILE 9 HG23 ILE 9 -1.985 0.354 -8.173 89 HD11 ILE 9 HD11 ILE 9 -0.692 -3.865 -8.864 90 HD12 ILE 9 HD12 ILE 9 -1.847 -3.820 -7.504 91 HD13 ILE 9 HD13 ILE 9 -2.143 -2.849 -8.979 92 H ALA 10 H ALA 10 -2.059 -0.642 -3.819 93 HA ALA 10 HA ALA 10 -3.587 1.723 -3.958 94 HB1 ALA 10 HB1 ALA 10 -4.327 -0.209 -2.589 95 HB2 ALA 10 HB2 ALA 10 -2.943 0.006 -1.473 96 HB3 ALA 10 HB3 ALA 10 -4.225 1.254 -1.567 97 H ALA 11 H ALA 11 -0.579 1.010 -1.993 98 HA ALA 11 HA ALA 11 -0.636 3.449 -0.566 99 HB1 ALA 11 HB1 ALA 11 0.923 1.608 0.071 100 HB2 ALA 11 HB2 ALA 11 1.849 1.841 -1.444 101 HB3 ALA 11 HB3 ALA 11 1.826 3.125 -0.200 102 H LYS 12 H LYS 12 0.910 2.649 -3.801 103 HA LYS 12 HA LYS 12 2.283 5.108 -3.990 104 HB2 LYS 12 HB2 LYS 12 2.706 3.192 -5.524 105 HB3 LYS 12 HB3 LYS 12 1.117 3.434 -6.302 106 HG2 LYS 12 HG2 LYS 12 1.821 5.716 -7.071 107 HG3 LYS 12 HG3 LYS 12 3.377 5.540 -6.209 108 HD2 LYS 12 HD2 LYS 12 3.970 3.586 -7.681 109 HD3 LYS 12 HD3 LYS 12 2.423 3.774 -8.554 110 HE2 LYS 12 HE2 LYS 12 3.109 6.086 -9.271 111 HE3 LYS 12 HE3 LYS 12 4.645 5.913 -8.379 112 HZ1 LYS 12 HZ1 LYS 12 5.263 4.018 -9.839 113 HZ2 LYS 12 HZ2 LYS 12 4.948 5.450 -10.773 114 HZ3 LYS 12 HZ3 LYS 12 3.761 4.180 -10.712 115 H VAL 13 H VAL 13 -1.093 4.220 -5.087 116 HA VAL 13 HA VAL 13 -1.572 6.858 -6.179 117 HB VAL 13 HB VAL 13 -3.548 4.709 -5.204 118 HG11 VAL 13 HG11 VAL 13 -5.289 6.028 -6.464 119 HG12 VAL 13 HG12 VAL 13 -4.650 6.936 -5.075 120 HG13 VAL 13 HG13 VAL 13 -4.098 7.335 -6.728 121 HG21 VAL 13 HG21 VAL 13 -2.689 5.542 -8.053 122 HG22 VAL 13 HG22 VAL 13 -2.177 4.044 -7.227 123 HG23 VAL 13 HG23 VAL 13 -3.892 4.287 -7.640 124 H GLY 14 H GLY 14 -2.407 5.264 -2.991 125 HA2 GLY 14 HA2 GLY 14 -3.690 7.492 -1.887 126 HA3 GLY 14 HA3 GLY 14 -2.863 6.239 -0.931 127 H SER 15 H SER 15 -0.135 6.950 -2.297 128 HA SER 15 HA SER 15 0.870 8.470 -0.236 129 HB2 SER 15 HB2 SER 15 2.320 7.376 -1.963 130 HB3 SER 15 HB3 SER 15 1.803 8.598 -3.170 131 HG SER 15 HG SER 15 3.824 9.223 -2.065 132 H ASN 16 H ASN 16 -0.625 9.693 -3.325 133 HA ASN 16 HA ASN 16 -0.139 12.487 -2.481 134 HB2 ASN 16 HB2 ASN 16 -1.687 11.357 -4.882 135 HB3 ASN 16 HB3 ASN 16 -1.359 13.075 -4.570 136 HD21 ASN 16 HD21 ASN 16 0.198 9.963 -5.600 137 HD22 ASN 16 HD22 ASN 16 1.700 10.699 -6.005 138 H LEU 17 H LEU 17 -2.980 10.167 -2.769 139 HA LEU 17 HA LEU 17 -4.850 12.302 -2.301 140 HB2 LEU 17 HB2 LEU 17 -5.350 9.323 -1.774 141 HB3 LEU 17 HB3 LEU 17 -6.567 10.604 -1.939 142 HG LEU 17 HG LEU 17 -4.725 9.524 -4.180 143 HD11 LEU 17 HD11 LEU 17 -6.828 8.663 -5.159 144 HD12 LEU 17 HD12 LEU 17 -7.769 9.330 -3.794 145 HD13 LEU 17 HD13 LEU 17 -6.600 8.005 -3.518 146 HD21 LEU 17 HD21 LEU 17 -5.066 11.931 -4.626 147 HD22 LEU 17 HD22 LEU 17 -6.820 11.785 -4.282 148 HD23 LEU 17 HD23 LEU 17 -6.105 10.995 -5.719 149 H LEU 18 H1 LEU 18 -3.565 9.691 -0.067 150 HA LEU 18 HA LEU 18 -3.629 9.601 2.253 151 HB2 LEU 18 HB2 LEU 18 -3.463 12.661 2.062 152 HB3 LEU 18 HB3 LEU 18 -2.990 11.657 3.446 153 HG LEU 18 HG LEU 18 -1.642 11.596 0.668 154 HD11 LEU 18 HD11 LEU 18 -0.693 12.923 3.282 155 HD12 LEU 18 HD12 LEU 18 -1.272 13.786 1.825 156 HD13 LEU 18 HD13 LEU 18 0.237 12.840 1.755 157 HD21 LEU 18 HD21 LEU 18 0.210 10.344 1.901 158 HD22 LEU 18 HD22 LEU 18 -1.303 9.420 1.845 159 HD23 LEU 18 HD23 LEU 18 -0.834 10.272 3.343 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 -3.755 -18.896 -0.280 2 HA2 GLY 1 HA2 GLY 1 -2.426 -17.574 -1.948 3 HA3 GLY 1 HA3 GLY 1 -3.750 -18.495 -2.732 4 H LEU 2 H LEU 2 -3.315 -16.589 -4.368 5 HA LEU 2 HA LEU 2 -4.043 -14.627 -5.321 6 HB2 LEU 2 HB2 LEU 2 -6.164 -15.946 -5.104 7 HB3 LEU 2 HB3 LEU 2 -6.463 -15.197 -3.522 8 HG LEU 2 HG LEU 2 -6.581 -12.916 -4.667 9 HD11 LEU 2 HD11 LEU 2 -6.441 -14.599 -7.251 10 HD12 LEU 2 HD12 LEU 2 -5.297 -13.310 -6.763 11 HD13 LEU 2 HD13 LEU 2 -6.972 -12.895 -7.171 12 HD21 LEU 2 HD21 LEU 2 -8.555 -15.054 -5.688 13 HD22 LEU 2 HD22 LEU 2 -8.862 -13.294 -5.619 14 HD23 LEU 2 HD23 LEU 2 -8.644 -14.215 -4.111 15 H LEU 3 H LEU 3 -2.242 -13.413 -4.219 16 HA LEU 3 HA LEU 3 -3.423 -11.205 -2.728 17 HB2 LEU 3 HB2 LEU 3 -1.952 -11.291 -0.798 18 HB3 LEU 3 HB3 LEU 3 -3.108 -12.636 -0.789 19 HG LEU 3 HG LEU 3 -0.220 -13.045 -1.780 20 HD11 LEU 3 HD11 LEU 3 0.341 -13.840 0.530 21 HD12 LEU 3 HD12 LEU 3 -1.271 -13.323 1.105 22 HD13 LEU 3 HD13 LEU 3 -0.086 -12.112 0.530 23 HD21 LEU 3 HD21 LEU 3 -0.654 -15.421 -1.097 24 HD22 LEU 3 HD22 LEU 3 -1.793 -14.905 -2.351 25 HD23 LEU 3 HD23 LEU 3 -2.327 -14.994 -0.647 26 H LYS 4 H LYS 4 -2.666 -10.746 -5.107 27 HA LYS 4 HA LYS 4 0.078 -10.268 -5.581 28 HB2 LYS 4 HB2 LYS 4 -2.414 -8.665 -6.428 29 HB3 LYS 4 HB3 LYS 4 -0.799 -8.255 -7.035 30 HG2 LYS 4 HG2 LYS 4 -0.547 -10.620 -7.928 31 HG3 LYS 4 HG3 LYS 4 -2.252 -10.931 -7.518 32 HD2 LYS 4 HD2 LYS 4 -1.213 -8.775 -9.476 33 HD3 LYS 4 HD3 LYS 4 -1.922 -10.347 -9.923 34 HE2 LYS 4 HE2 LYS 4 -4.097 -9.662 -8.810 35 HE3 LYS 4 HE3 LYS 4 -3.403 -8.045 -8.499 36 HZ1 LYS 4 HZ1 LYS 4 -3.781 -9.290 -11.238 37 HZ2 LYS 4 HZ2 LYS 4 -3.078 -7.723 -10.919 38 HZ3 LYS 4 HZ3 LYS 4 -4.748 -8.029 -10.534 39 HA PRO 5 HA PRO 5 0.833 -7.078 -2.509 40 HB2 PRO 5 HB2 PRO 5 2.840 -5.537 -3.614 41 HB3 PRO 5 HB3 PRO 5 3.087 -7.262 -3.212 42 HG2 PRO 5 HG2 PRO 5 2.259 -6.171 -5.950 43 HG3 PRO 5 HG3 PRO 5 3.711 -7.161 -5.589 44 HD2 PRO 5 HD2 PRO 5 1.460 -8.394 -6.465 45 HD3 PRO 5 HD3 PRO 5 2.305 -9.121 -5.049 46 H LEU 6 H LEU 6 -1.515 -6.438 -2.995 47 HA LEU 6 HA LEU 6 -2.048 -4.194 -4.717 48 HB2 LEU 6 HB2 LEU 6 -3.819 -5.632 -3.947 49 HB3 LEU 6 HB3 LEU 6 -3.506 -5.301 -2.233 50 HG LEU 6 HG LEU 6 -4.207 -2.939 -4.048 51 HD11 LEU 6 HD11 LEU 6 -6.276 -4.909 -2.892 52 HD12 LEU 6 HD12 LEU 6 -5.939 -4.629 -4.626 53 HD13 LEU 6 HD13 LEU 6 -6.656 -3.330 -3.642 54 HD21 LEU 6 HD21 LEU 6 -4.876 -3.623 -1.099 55 HD22 LEU 6 HD22 LEU 6 -5.317 -2.115 -1.931 56 HD23 LEU 6 HD23 LEU 6 -3.604 -2.491 -1.623 57 H LEU 7 H LEU 7 -0.908 -4.522 -1.265 58 HA LEU 7 HA LEU 7 -1.211 -1.941 -0.451 59 HB2 LEU 7 HB2 LEU 7 -0.162 -3.671 0.989 60 HB3 LEU 7 HB3 LEU 7 1.274 -3.707 -0.063 61 HG LEU 7 HG LEU 7 1.828 -1.337 0.592 62 HD11 LEU 7 HD11 LEU 7 0.618 -0.310 2.581 63 HD12 LEU 7 HD12 LEU 7 -0.614 -1.596 2.466 64 HD13 LEU 7 HD13 LEU 7 -0.415 -0.406 1.144 65 HD21 LEU 7 HD21 LEU 7 2.811 -3.255 1.856 66 HD22 LEU 7 HD22 LEU 7 1.424 -3.237 2.985 67 HD23 LEU 7 HD23 LEU 7 2.552 -1.851 2.924 68 H LYS 8 H LYS 8 1.560 -3.145 -2.558 69 HA LYS 8 HA LYS 8 2.871 -0.667 -2.723 70 HB2 LYS 8 HB2 LYS 8 2.655 -3.038 -4.627 71 HB3 LYS 8 HB3 LYS 8 3.216 -1.539 -5.356 72 HG2 LYS 8 HG2 LYS 8 4.561 -2.650 -2.837 73 HG3 LYS 8 HG3 LYS 8 5.041 -3.122 -4.487 74 HD2 LYS 8 HD2 LYS 8 5.492 -0.743 -5.102 75 HD3 LYS 8 HD3 LYS 8 5.062 -0.210 -3.458 76 HE2 LYS 8 HE2 LYS 8 6.945 -1.562 -2.517 77 HE3 LYS 8 HE3 LYS 8 7.361 -2.140 -4.154 78 HZ1 LYS 8 HZ1 LYS 8 8.798 -0.262 -3.484 79 HZ2 LYS 8 HZ2 LYS 8 7.408 0.762 -3.258 80 HZ3 LYS 8 HZ3 LYS 8 7.823 0.182 -4.851 81 H ILE 9 H ILE 9 0.120 -1.866 -4.793 82 HA ILE 9 HA ILE 9 0.242 0.491 -6.459 83 HB ILE 9 HB ILE 9 -2.020 -1.538 -6.053 84 HG12 ILE 9 HG11 ILE 9 -0.056 -1.184 -8.413 85 HG13 ILE 9 HG12 ILE 9 0.212 -2.335 -7.090 86 HG21 ILE 9 HG21 ILE 9 -1.776 0.713 -8.146 87 HG22 ILE 9 HG22 ILE 9 -3.059 -0.532 -8.110 88 HG23 ILE 9 HG23 ILE 9 -2.961 0.662 -6.810 89 HD11 ILE 9 HD11 ILE 9 -0.743 -3.554 -8.951 90 HD12 ILE 9 HD12 ILE 9 -1.961 -3.498 -7.647 91 HD13 ILE 9 HD13 ILE 9 -2.126 -2.446 -9.087 92 H ALA 10 H ALA 10 -2.077 -0.490 -3.792 93 HA ALA 10 HA ALA 10 -3.445 1.982 -3.791 94 HB1 ALA 10 HB1 ALA 10 -2.922 0.080 -1.416 95 HB2 ALA 10 HB2 ALA 10 -4.152 1.382 -1.449 96 HB3 ALA 10 HB3 ALA 10 -4.295 -0.004 -2.567 97 H ALA 11 H ALA 11 -0.242 1.127 -2.305 98 HA ALA 11 HA ALA 11 -0.227 3.454 -0.585 99 HB1 ALA 11 HB1 ALA 11 2.234 3.087 -0.434 100 HB2 ALA 11 HB2 ALA 11 1.334 1.571 -0.147 101 HB3 ALA 11 HB3 ALA 11 2.149 1.845 -1.716 102 H LYS 12 H LYS 12 1.076 2.718 -3.940 103 HA LYS 12 HA LYS 12 2.350 5.227 -4.213 104 HB2 LYS 12 HB2 LYS 12 2.827 3.360 -5.683 105 HB3 LYS 12 HB3 LYS 12 1.195 3.359 -6.370 106 HG2 LYS 12 HG2 LYS 12 2.923 5.890 -6.540 107 HG3 LYS 12 HG3 LYS 12 3.286 4.549 -7.639 108 HD2 LYS 12 HD2 LYS 12 0.508 5.883 -7.528 109 HD3 LYS 12 HD3 LYS 12 1.822 6.337 -8.633 110 HE2 LYS 12 HE2 LYS 12 1.857 3.959 -9.538 111 HE3 LYS 12 HE3 LYS 12 0.411 3.598 -8.559 112 HZ1 LYS 12 HZ1 LYS 12 -0.215 4.189 -10.834 113 HZ2 LYS 12 HZ2 LYS 12 0.613 5.710 -10.728 114 HZ3 LYS 12 HZ3 LYS 12 -0.793 5.416 -9.745 115 H VAL 13 H VAL 13 -1.015 4.231 -5.281 116 HA VAL 13 HA VAL 13 -1.621 6.934 -6.165 117 HB VAL 13 HB VAL 13 -3.486 4.608 -5.391 118 HG11 VAL 13 HG11 VAL 13 -4.169 7.333 -6.670 119 HG12 VAL 13 HG12 VAL 13 -5.289 5.945 -6.545 120 HG13 VAL 13 HG13 VAL 13 -4.710 6.752 -5.068 121 HG21 VAL 13 HG21 VAL 13 -2.064 4.226 -7.466 122 HG22 VAL 13 HG22 VAL 13 -3.800 4.369 -7.848 123 HG23 VAL 13 HG23 VAL 13 -2.706 5.750 -8.148 124 H GLY 14 H GLY 14 -2.329 5.017 -3.145 125 HA2 GLY 14 HA2 GLY 14 -3.760 7.015 -1.820 126 HA3 GLY 14 HA3 GLY 14 -2.798 5.774 -0.989 127 H SER 15 H SER 15 -0.207 6.965 -2.455 128 HA SER 15 HA SER 15 0.537 8.413 -0.132 129 HB2 SER 15 HB2 SER 15 2.208 7.279 -1.569 130 HB3 SER 15 HB3 SER 15 1.903 8.434 -2.895 131 HG SER 15 HG SER 15 2.710 10.099 -1.370 132 H ASN 16 H ASN 16 -0.283 9.626 -3.529 133 HA ASN 16 HA ASN 16 0.356 12.292 -2.843 134 HB2 ASN 16 HB2 ASN 16 -0.905 13.014 -4.837 135 HB3 ASN 16 HB3 ASN 16 0.154 11.630 -5.184 136 HD21 ASN 16 HD21 ASN 16 -3.331 12.593 -4.706 137 HD22 ASN 16 HD22 ASN 16 -3.955 11.182 -5.477 138 H LEU 17 H LEU 17 -2.897 10.611 -2.748 139 HA LEU 17 HA LEU 17 -4.129 13.033 -1.720 140 HB2 LEU 17 HB2 LEU 17 -6.183 11.800 -1.531 141 HB3 LEU 17 HB3 LEU 17 -5.356 11.380 -3.041 142 HG LEU 17 HG LEU 17 -4.431 9.303 -1.547 143 HD11 LEU 17 HD11 LEU 17 -7.133 9.894 -0.185 144 HD12 LEU 17 HD12 LEU 17 -5.551 10.090 0.603 145 HD13 LEU 17 HD13 LEU 17 -6.086 8.474 0.089 146 HD21 LEU 17 HD21 LEU 17 -7.262 9.411 -2.739 147 HD22 LEU 17 HD22 LEU 17 -6.349 7.917 -2.369 148 HD23 LEU 17 HD23 LEU 17 -5.752 9.032 -3.624 149 H LEU 18 H1 LEU 18 -2.525 10.170 -0.224 150 HA LEU 18 HA LEU 18 -2.082 9.698 1.976 151 HB2 LEU 18 HB2 LEU 18 -0.956 12.019 1.442 152 HB3 LEU 18 HB3 LEU 18 -2.192 12.705 2.517 153 HG LEU 18 HG LEU 18 -0.102 10.533 3.223 154 HD11 LEU 18 HD11 LEU 18 0.857 12.835 2.966 155 HD12 LEU 18 HD12 LEU 18 0.920 12.290 4.664 156 HD13 LEU 18 HD13 LEU 18 -0.326 13.464 4.151 157 HD21 LEU 18 HD21 LEU 18 -0.887 10.845 5.620 158 HD22 LEU 18 HD22 LEU 18 -2.121 10.096 4.588 159 HD23 LEU 18 HD23 LEU 18 -2.252 11.831 5.018