NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
9918 | 1p0g | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 HT1 ALA 1 -3.026 1.495 -14.961 2 2H ALA 1 HT2 ALA 1 -3.412 -0.119 -15.400 3 3H ALA 1 HT3 ALA 1 -3.557 1.145 -16.553 4 HA ALA 1 HA ALA 1 -1.628 0.190 -17.160 5 1HB ALA 1 HB1 ALA 1 -0.910 2.337 -17.123 6 2HB ALA 1 HB2 ALA 1 0.174 1.700 -15.886 7 3HB ALA 1 HB3 ALA 1 -1.296 2.554 -15.416 8 H LYS 2 HN LYS 2 0.799 -0.168 -16.200 9 HA LYS 2 HA LYS 2 0.440 -2.322 -14.261 10 1HB LYS 2 HB2 LYS 2 2.065 -1.954 -16.574 11 2HB LYS 2 HB1 LYS 2 3.133 -2.166 -15.195 12 1HG LYS 2 HG2 LYS 2 2.608 -4.279 -16.326 13 2HG LYS 2 HG1 LYS 2 2.076 -4.262 -14.643 14 1HD LYS 2 HD2 LYS 2 -0.097 -4.429 -15.203 15 2HD LYS 2 HD1 LYS 2 0.069 -3.316 -16.563 16 1HE LYS 2 HE2 LYS 2 0.941 -5.054 -17.961 17 2HE LYS 2 HE1 LYS 2 1.036 -6.170 -16.599 18 1HZ LYS 2 HZ1 LYS 2 -1.589 -5.051 -17.135 19 2HZ LYS 2 HZ2 LYS 2 -1.150 -6.629 -16.711 20 3HZ LYS 2 HZ3 LYS 2 -0.994 -6.110 -18.313 21 H LYS 3 HN LYS 3 0.181 0.108 -13.082 22 HA LYS 3 HA LYS 3 2.640 0.269 -11.463 23 1HB LYS 3 HB2 LYS 3 2.251 2.722 -11.236 24 2HB LYS 3 HB1 LYS 3 2.670 2.228 -12.871 25 1HG LYS 3 HG2 LYS 3 0.453 2.505 -13.629 26 2HG LYS 3 HG1 LYS 3 -0.169 2.638 -11.983 27 1HD LYS 3 HD2 LYS 3 0.492 4.807 -11.761 28 2HD LYS 3 HD1 LYS 3 1.887 4.602 -12.823 29 1HE LYS 3 HE2 LYS 3 0.471 4.640 -14.770 30 2HE LYS 3 HE1 LYS 3 -0.976 4.670 -13.763 31 1HZ LYS 3 HZ1 LYS 3 0.034 6.822 -12.835 32 2HZ LYS 3 HZ2 LYS 3 -0.690 6.870 -14.363 33 3HZ LYS 3 HZ3 LYS 3 0.995 6.813 -14.228 34 H VAL 4 HN VAL 4 0.417 -1.293 -10.904 35 HA VAL 4 HA VAL 4 -1.305 0.003 -9.028 36 HB VAL 4 HB VAL 4 -0.591 -2.933 -9.041 37 1HG1 VAL 4 HG11 VAL 4 -2.379 -1.322 -7.501 38 2HG1 VAL 4 HG12 VAL 4 -2.052 -3.050 -7.374 39 3HG1 VAL 4 HG13 VAL 4 -3.313 -2.469 -8.460 40 1HG2 VAL 4 HG21 VAL 4 -2.490 -1.415 -10.804 41 2HG2 VAL 4 HG22 VAL 4 -2.700 -3.133 -10.470 42 3HG2 VAL 4 HG23 VAL 4 -1.233 -2.563 -11.266 43 H PHE 5 HN PHE 5 1.883 -0.718 -9.122 44 HA PHE 5 HA PHE 5 2.743 -1.622 -6.725 45 1HB PHE 5 HB2 PHE 5 4.130 -1.079 -8.716 46 2HB PHE 5 HB1 PHE 5 3.940 0.627 -8.344 47 HD1 PHE 5 HD1 PHE 5 5.285 -2.556 -6.991 48 HD2 PHE 5 HD2 PHE 5 5.399 1.696 -6.869 49 HE1 PHE 5 HE1 PHE 5 7.269 -2.654 -5.539 50 HE2 PHE 5 HE2 PHE 5 7.384 1.606 -5.418 51 HZ PHE 5 HZ PHE 5 8.321 -0.571 -4.751 52 H LYS 6 HN LYS 6 1.304 1.390 -7.417 53 HA LYS 6 HA LYS 6 2.173 2.795 -5.101 54 1HB LYS 6 HB2 LYS 6 0.936 3.558 -7.388 55 2HB LYS 6 HB1 LYS 6 -0.438 3.527 -6.292 56 1HG LYS 6 HG2 LYS 6 0.518 5.156 -4.884 57 2HG LYS 6 HG1 LYS 6 2.100 4.997 -5.650 58 1HD LYS 6 HD2 LYS 6 1.139 5.885 -7.745 59 2HD LYS 6 HD1 LYS 6 -0.403 6.109 -6.917 60 1HE LYS 6 HE2 LYS 6 1.924 7.300 -5.572 61 2HE LYS 6 HE1 LYS 6 1.519 8.012 -7.133 62 1HZ LYS 6 HZ1 LYS 6 -0.455 7.622 -4.953 63 2HZ LYS 6 HZ2 LYS 6 -0.658 8.515 -6.376 64 3HZ LYS 6 HZ3 LYS 6 0.410 9.059 -5.182 65 H ARG 7 HN ARG 7 -0.596 0.777 -5.891 66 HA ARG 7 HA ARG 7 -2.087 1.259 -3.549 67 1HB ARG 7 HB2 ARG 7 -2.005 -0.973 -5.553 68 2HB ARG 7 HB1 ARG 7 -2.966 -1.140 -4.090 69 1HG ARG 7 HG2 ARG 7 -4.483 -0.342 -5.649 70 2HG ARG 7 HG1 ARG 7 -4.008 1.109 -4.765 71 1HD ARG 7 HD2 ARG 7 -2.248 0.608 -7.005 72 2HD ARG 7 HD1 ARG 7 -3.930 0.721 -7.520 73 HE ARG 7 HE ARG 7 -3.126 2.828 -5.739 74 1HH1 ARG 7 HH11 ARG 7 -3.236 1.784 -9.068 75 2HH1 ARG 7 HH12 ARG 7 -3.180 3.393 -9.705 76 1HH2 ARG 7 HH21 ARG 7 -3.053 4.945 -6.575 77 2HH2 ARG 7 HH22 ARG 7 -3.075 5.188 -8.290 78 H LEU 8 HN LEU 8 0.621 -0.826 -4.283 79 HA LEU 8 HA LEU 8 0.480 -2.513 -2.034 80 1HB LEU 8 HB2 LEU 8 2.629 -1.692 -3.934 81 2HB LEU 8 HB1 LEU 8 3.094 -2.517 -2.458 82 HG LEU 8 HG LEU 8 1.091 -4.137 -3.393 83 1HD1 LEU 8 HD11 LEU 8 1.242 -4.420 -5.704 84 2HD1 LEU 8 HD12 LEU 8 2.709 -3.449 -5.821 85 3HD1 LEU 8 HD13 LEU 8 1.162 -2.671 -5.490 86 1HD2 LEU 8 HD21 LEU 8 3.623 -4.454 -2.647 87 2HD2 LEU 8 HD22 LEU 8 3.835 -4.658 -4.386 88 3HD2 LEU 8 HD23 LEU 8 2.728 -5.710 -3.503 89 H GLU 9 HN GLU 9 1.866 0.685 -2.534 90 HA GLU 9 HA GLU 9 3.239 0.824 -0.055 91 1HB GLU 9 HB2 GLU 9 3.666 2.310 -2.031 92 2HB GLU 9 HB1 GLU 9 2.146 3.124 -1.686 93 1HG GLU 9 HG2 GLU 9 3.935 4.429 -0.797 94 2HG GLU 9 HG1 GLU 9 3.029 3.730 0.545 95 H LYS 10 HN LYS 10 -0.033 1.591 -1.076 96 HA LYS 10 HA LYS 10 -0.789 2.898 1.341 97 1HB LYS 10 HB2 LYS 10 -2.341 1.667 -0.930 98 2HB LYS 10 HB1 LYS 10 -3.150 2.319 0.488 99 1HG LYS 10 HG2 LYS 10 -1.955 4.488 0.034 100 2HG LYS 10 HG1 LYS 10 -1.461 3.792 -1.511 101 1HD LYS 10 HD2 LYS 10 -4.107 3.276 -1.577 102 2HD LYS 10 HD1 LYS 10 -4.102 4.759 -0.619 103 1HE LYS 10 HE2 LYS 10 -2.382 5.421 -2.606 104 2HE LYS 10 HE1 LYS 10 -3.474 4.333 -3.462 105 1HZ LYS 10 HZ1 LYS 10 -4.253 6.758 -1.934 106 2HZ LYS 10 HZ2 LYS 10 -5.339 5.689 -2.667 107 3HZ LYS 10 HZ3 LYS 10 -4.265 6.585 -3.617 108 H LEU 11 HN LEU 11 -0.731 -0.408 0.215 109 HA LEU 11 HA LEU 11 -2.325 -1.517 2.280 110 1HB LEU 11 HB2 LEU 11 -1.066 -2.459 -0.018 111 2HB LEU 11 HB1 LEU 11 -0.241 -3.290 1.287 112 HG LEU 11 HG LEU 11 -3.230 -3.297 0.861 113 1HD1 LEU 11 HD11 LEU 11 -1.049 -5.040 -0.118 114 2HD1 LEU 11 HD12 LEU 11 -2.612 -4.659 -0.840 115 3HD1 LEU 11 HD13 LEU 11 -2.510 -5.833 0.472 116 1HD2 LEU 11 HD21 LEU 11 -1.803 -5.258 2.573 117 2HD2 LEU 11 HD22 LEU 11 -3.437 -4.608 2.713 118 3HD2 LEU 11 HD23 LEU 11 -2.054 -3.633 3.210 119 H PHE 12 HN PHE 12 1.046 -0.638 1.994 120 HA PHE 12 HA PHE 12 2.013 -2.038 4.247 121 1HB PHE 12 HB2 PHE 12 3.376 -0.913 2.403 122 2HB PHE 12 HB1 PHE 12 3.088 0.602 3.253 123 HD1 PHE 12 HD1 PHE 12 4.558 1.281 4.896 124 HD2 PHE 12 HD2 PHE 12 4.413 -2.831 3.811 125 HE1 PHE 12 HE1 PHE 12 6.491 0.833 6.351 126 HE2 PHE 12 HE2 PHE 12 6.345 -3.287 5.266 127 HZ PHE 12 HZ PHE 12 7.386 -1.454 6.538 128 H SER 13 HN SER 13 0.380 1.036 3.845 129 HA SER 13 HA SER 13 0.880 1.975 6.486 130 1HB SER 13 HB2 SER 13 -1.255 2.767 4.494 131 2HB SER 13 HB1 SER 13 -0.908 3.630 5.993 132 HG SER 13 HG SER 13 1.278 3.864 5.143 133 H LYS 14 HN LYS 14 -1.221 -0.333 5.174 134 HA LYS 14 HA LYS 14 -3.185 -0.163 7.282 135 1HB LYS 14 HB2 LYS 14 -2.799 -2.170 5.060 136 2HB LYS 14 HB1 LYS 14 -4.127 -2.218 6.211 137 1HG LYS 14 HG2 LYS 14 -4.525 0.236 5.375 138 2HG LYS 14 HG1 LYS 14 -3.628 -0.333 3.965 139 1HD LYS 14 HD2 LYS 14 -5.253 -1.857 3.379 140 2HD LYS 14 HD1 LYS 14 -5.871 -1.989 5.027 141 1HE LYS 14 HE2 LYS 14 -7.530 -0.669 4.301 142 2HE LYS 14 HE1 LYS 14 -6.353 0.635 4.457 143 1HZ LYS 14 HZ1 LYS 14 -7.640 0.277 2.240 144 2HZ LYS 14 HZ2 LYS 14 -6.456 -0.897 1.954 145 3HZ LYS 14 HZ3 LYS 14 -6.005 0.713 2.211 146 H ILE 15 HN ILE 15 -0.238 -1.756 6.667 147 HA ILE 15 HA ILE 15 -0.645 -3.846 8.630 148 HB ILE 15 HB ILE 15 1.928 -3.089 7.246 149 1HG1 ILE 15 HG12 ILE 15 0.244 -3.578 5.559 150 2HG1 ILE 15 HG11 ILE 15 1.388 -4.913 5.656 151 1HG2 ILE 15 HG21 ILE 15 1.081 -5.255 9.059 152 2HG2 ILE 15 HG22 ILE 15 2.670 -4.527 8.819 153 3HG2 ILE 15 HG23 ILE 15 2.074 -5.738 7.684 154 1HD1 ILE 15 HD11 ILE 15 -1.454 -4.797 6.567 155 2HD1 ILE 15 HD12 ILE 15 -0.334 -5.985 7.236 156 3HD1 ILE 15 HD13 ILE 15 -0.667 -5.963 5.504 157 H GLN 16 HN GLN 16 0.553 -0.620 8.537 158 HA GLN 16 HA GLN 16 2.039 -0.933 11.030 159 1HB GLN 16 HB2 GLN 16 2.468 0.638 8.821 160 2HB GLN 16 HB1 GLN 16 1.737 1.777 9.943 161 1HG GLN 16 HG2 GLN 16 3.537 1.822 11.275 162 2HG GLN 16 HG1 GLN 16 3.841 0.094 11.098 163 1HE2 GLN 16 HE21 GLN 16 4.121 3.185 9.416 164 2HE2 GLN 16 HE22 GLN 16 5.526 2.766 8.503 165 H ASN 17 HN ASN 17 -0.874 -1.244 10.967 166 HA ASN 17 HA ASN 17 -1.831 1.127 12.375 167 1HB ASN 17 HB2 ASN 17 -3.248 0.061 10.624 168 2HB ASN 17 HB1 ASN 17 -3.337 -1.388 11.621 169 1HD2 ASN 17 HD21 ASN 17 -4.223 1.987 11.391 170 2HD2 ASN 17 HD22 ASN 17 -5.515 1.924 12.537 171 H ASP 18 HN ASP 18 -1.012 -2.230 12.922 172 HA ASP 18 HA ASP 18 -2.063 -2.336 15.584 173 1HB ASP 18 HB2 ASP 18 -0.710 -4.466 15.711 174 2HB ASP 18 HB1 ASP 18 -1.889 -4.407 14.404 175 H LYS 19 HN LYS 19 0.950 -1.400 14.124 176 HA LYS 19 HA LYS 19 2.689 -1.638 16.286 177 1HB LYS 19 HB2 LYS 19 2.687 -0.363 13.714 178 2HB LYS 19 HB1 LYS 19 3.378 0.734 14.902 179 1HG LYS 19 HG2 LYS 19 5.150 -0.533 13.949 180 2HG LYS 19 HG1 LYS 19 4.911 -1.101 15.602 181 1HD LYS 19 HD2 LYS 19 4.140 -3.136 14.936 182 2HD LYS 19 HD1 LYS 19 3.407 -2.497 13.464 183 1HE LYS 19 HE2 LYS 19 5.268 -2.828 12.242 184 2HE LYS 19 HE1 LYS 19 6.338 -2.338 13.555 185 1HZ LYS 19 HZ1 LYS 19 4.957 -4.874 13.898 186 2HZ LYS 19 HZ2 LYS 19 6.544 -4.444 14.291 187 3HZ LYS 19 HZ3 LYS 19 6.146 -4.835 12.695 188 1HN NH2 20 NH1 NH2 20 3.167 -0.396 18.022 189 2HN NH2 20 NH2 NH2 20 2.256 0.986 18.518 Start of MODEL 2 1 1H ALA 1 HT1 ALA 1 -1.635 5.465 -14.947 2 2H ALA 1 HT2 ALA 1 -0.671 4.387 -15.871 3 3H ALA 1 HT3 ALA 1 -0.456 4.493 -14.172 4 HA ALA 1 HA ALA 1 -2.872 3.825 -14.037 5 1HB ALA 1 HB1 ALA 1 -2.200 3.338 -16.894 6 2HB ALA 1 HB2 ALA 1 -3.708 3.889 -16.165 7 3HB ALA 1 HB3 ALA 1 -3.249 2.190 -16.062 8 H LYS 2 HN LYS 2 0.208 2.649 -15.183 9 HA LYS 2 HA LYS 2 -0.221 0.036 -13.958 10 1HB LYS 2 HB2 LYS 2 0.879 0.307 -16.216 11 2HB LYS 2 HB1 LYS 2 2.249 1.028 -15.382 12 1HG LYS 2 HG2 LYS 2 2.723 -0.995 -14.233 13 2HG LYS 2 HG1 LYS 2 1.208 -1.725 -14.769 14 1HD LYS 2 HD2 LYS 2 2.164 -1.275 -17.155 15 2HD LYS 2 HD1 LYS 2 3.713 -1.197 -16.312 16 1HE LYS 2 HE2 LYS 2 1.812 -3.498 -15.965 17 2HE LYS 2 HE1 LYS 2 3.010 -3.458 -17.257 18 1HZ LYS 2 HZ1 LYS 2 3.590 -4.586 -15.027 19 2HZ LYS 2 HZ2 LYS 2 3.841 -3.009 -14.468 20 3HZ LYS 2 HZ3 LYS 2 4.746 -3.598 -15.770 21 H LYS 3 HN LYS 3 -0.298 1.954 -12.059 22 HA LYS 3 HA LYS 3 2.239 1.519 -10.620 23 1HB LYS 3 HB2 LYS 3 2.025 3.781 -9.635 24 2HB LYS 3 HB1 LYS 3 2.265 3.828 -11.376 25 1HG LYS 3 HG2 LYS 3 0.261 4.764 -11.760 26 2HG LYS 3 HG1 LYS 3 -0.540 3.816 -10.506 27 1HD LYS 3 HD2 LYS 3 -0.123 5.358 -8.882 28 2HD LYS 3 HD1 LYS 3 1.390 5.886 -9.621 29 1HE LYS 3 HE2 LYS 3 -0.057 6.906 -11.455 30 2HE LYS 3 HE1 LYS 3 -1.420 6.645 -10.368 31 1HZ LYS 3 HZ1 LYS 3 -0.817 8.752 -9.795 32 2HZ LYS 3 HZ2 LYS 3 0.826 8.510 -10.118 33 3HZ LYS 3 HZ3 LYS 3 0.144 7.889 -8.701 34 H VAL 4 HN VAL 4 -0.043 -0.057 -10.451 35 HA VAL 4 HA VAL 4 -1.594 0.643 -8.152 36 HB VAL 4 HB VAL 4 -1.063 -2.130 -9.243 37 1HG1 VAL 4 HG11 VAL 4 -2.809 -1.034 -7.138 38 2HG1 VAL 4 HG12 VAL 4 -2.107 -2.642 -7.310 39 3HG1 VAL 4 HG13 VAL 4 -3.554 -2.210 -8.220 40 1HG2 VAL 4 HG21 VAL 4 -2.602 -1.846 -10.865 41 2HG2 VAL 4 HG22 VAL 4 -2.185 -0.142 -10.686 42 3HG2 VAL 4 HG23 VAL 4 -3.608 -0.791 -9.872 43 H PHE 5 HN PHE 5 1.534 -0.146 -8.684 44 HA PHE 5 HA PHE 5 2.433 -1.809 -6.741 45 1HB PHE 5 HB2 PHE 5 3.750 -0.752 -8.581 46 2HB PHE 5 HB1 PHE 5 3.741 0.748 -7.668 47 HD1 PHE 5 HD1 PHE 5 5.200 -2.562 -7.986 48 HD2 PHE 5 HD2 PHE 5 5.012 0.939 -5.575 49 HE1 PHE 5 HE1 PHE 5 7.235 -3.274 -6.801 50 HE2 PHE 5 HE2 PHE 5 7.047 0.234 -4.385 51 HZ PHE 5 HZ PHE 5 8.161 -1.875 -4.998 52 H LYS 6 HN LYS 6 1.176 1.336 -6.393 53 HA LYS 6 HA LYS 6 2.277 1.910 -3.826 54 1HB LYS 6 HB2 LYS 6 1.040 3.431 -5.689 55 2HB LYS 6 HB1 LYS 6 -0.301 3.160 -4.584 56 1HG LYS 6 HG2 LYS 6 1.368 3.910 -2.756 57 2HG LYS 6 HG1 LYS 6 2.280 4.587 -4.107 58 1HD LYS 6 HD2 LYS 6 0.386 5.935 -4.763 59 2HD LYS 6 HD1 LYS 6 -0.619 5.183 -3.522 60 1HE LYS 6 HE2 LYS 6 0.024 7.241 -2.604 61 2HE LYS 6 HE1 LYS 6 1.090 6.059 -1.846 62 1HZ LYS 6 HZ1 LYS 6 2.123 8.194 -2.728 63 2HZ LYS 6 HZ2 LYS 6 1.910 7.534 -4.270 64 3HZ LYS 6 HZ3 LYS 6 2.884 6.739 -3.138 65 H ARG 7 HN ARG 7 -0.596 0.311 -5.011 66 HA ARG 7 HA ARG 7 -1.995 0.214 -2.551 67 1HB ARG 7 HB2 ARG 7 -2.296 -0.879 -5.218 68 2HB ARG 7 HB1 ARG 7 -2.694 -2.080 -3.997 69 1HG ARG 7 HG2 ARG 7 -4.453 -0.829 -3.152 70 2HG ARG 7 HG1 ARG 7 -3.844 0.675 -3.845 71 1HD ARG 7 HD2 ARG 7 -5.001 0.359 -5.718 72 2HD ARG 7 HD1 ARG 7 -4.355 -1.270 -5.910 73 HE ARG 7 HE ARG 7 -6.236 -1.599 -4.009 74 1HH1 ARG 7 HH11 ARG 7 -6.300 -0.084 -7.153 75 2HH1 ARG 7 HH12 ARG 7 -7.971 -0.442 -7.429 76 1HH2 ARG 7 HH21 ARG 7 -8.434 -2.072 -4.372 77 2HH2 ARG 7 HH22 ARG 7 -9.182 -1.571 -5.852 78 H LEU 8 HN LEU 8 0.498 -1.758 -4.028 79 HA LEU 8 HA LEU 8 0.326 -3.969 -2.284 80 1HB LEU 8 HB2 LEU 8 2.411 -2.868 -4.113 81 2HB LEU 8 HB1 LEU 8 2.891 -4.082 -2.941 82 HG LEU 8 HG LEU 8 0.736 -5.307 -4.003 83 1HD1 LEU 8 HD11 LEU 8 0.294 -3.525 -5.597 84 2HD1 LEU 8 HD12 LEU 8 0.780 -5.002 -6.431 85 3HD1 LEU 8 HD13 LEU 8 1.928 -3.677 -6.241 86 1HD2 LEU 8 HD21 LEU 8 2.841 -6.388 -3.780 87 2HD2 LEU 8 HD22 LEU 8 3.588 -5.318 -4.967 88 3HD2 LEU 8 HD23 LEU 8 2.381 -6.498 -5.479 89 H GLU 9 HN GLU 9 2.312 -1.016 -2.184 90 HA GLU 9 HA GLU 9 3.570 -1.698 0.278 91 1HB GLU 9 HB2 GLU 9 4.216 0.708 0.345 92 2HB GLU 9 HB1 GLU 9 4.627 -0.080 -1.172 93 1HG GLU 9 HG2 GLU 9 2.702 0.919 -2.244 94 2HG GLU 9 HG1 GLU 9 2.214 1.660 -0.721 95 H LYS 10 HN LYS 10 0.551 -0.257 -0.619 96 HA LYS 10 HA LYS 10 -0.049 0.935 1.897 97 1HB LYS 10 HB2 LYS 10 -1.585 0.261 -0.574 98 2HB LYS 10 HB1 LYS 10 -2.485 0.590 0.899 99 1HG LYS 10 HG2 LYS 10 -1.647 2.790 1.039 100 2HG LYS 10 HG1 LYS 10 -0.410 2.474 -0.180 101 1HD LYS 10 HD2 LYS 10 -2.054 3.688 -1.324 102 2HD LYS 10 HD1 LYS 10 -2.364 2.009 -1.770 103 1HE LYS 10 HE2 LYS 10 -4.462 3.040 -1.268 104 2HE LYS 10 HE1 LYS 10 -4.078 1.920 0.038 105 1HZ LYS 10 HZ1 LYS 10 -4.936 4.178 0.706 106 2HZ LYS 10 HZ2 LYS 10 -3.451 4.808 0.199 107 3HZ LYS 10 HZ3 LYS 10 -3.504 3.679 1.458 108 H LEU 11 HN LEU 11 -0.452 -2.243 0.476 109 HA LEU 11 HA LEU 11 -2.243 -3.285 2.403 110 1HB LEU 11 HB2 LEU 11 -1.489 -4.227 0.088 111 2HB LEU 11 HB1 LEU 11 -0.196 -4.973 1.008 112 HG LEU 11 HG LEU 11 -2.947 -5.396 2.024 113 1HD1 LEU 11 HD11 LEU 11 -2.847 -7.447 0.310 114 2HD1 LEU 11 HD12 LEU 11 -2.054 -6.214 -0.670 115 3HD1 LEU 11 HD13 LEU 11 -3.679 -5.933 -0.046 116 1HD2 LEU 11 HD21 LEU 11 -2.078 -7.376 2.825 117 2HD2 LEU 11 HD22 LEU 11 -0.667 -6.320 2.878 118 3HD2 LEU 11 HD23 LEU 11 -0.855 -7.476 1.559 119 H PHE 12 HN PHE 12 1.289 -3.179 2.197 120 HA PHE 12 HA PHE 12 1.774 -4.753 4.499 121 1HB PHE 12 HB2 PHE 12 3.457 -4.143 2.699 122 2HB PHE 12 HB1 PHE 12 3.560 -2.552 3.447 123 HD1 PHE 12 HD1 PHE 12 4.790 -2.205 5.444 124 HD2 PHE 12 HD2 PHE 12 4.217 -6.141 3.933 125 HE1 PHE 12 HE1 PHE 12 6.486 -3.050 7.014 126 HE2 PHE 12 HE2 PHE 12 5.911 -6.994 5.500 127 HZ PHE 12 HZ PHE 12 7.048 -5.448 7.044 128 H SER 13 HN SER 13 1.087 -1.363 3.987 129 HA SER 13 HA SER 13 1.740 -0.543 6.639 130 1HB SER 13 HB2 SER 13 1.427 0.869 4.416 131 2HB SER 13 HB1 SER 13 -0.235 0.978 4.994 132 HG SER 13 HG SER 13 0.790 1.676 7.050 133 H LYS 14 HN LYS 14 -0.869 -2.178 5.228 134 HA LYS 14 HA LYS 14 -2.812 -1.408 7.214 135 1HB LYS 14 HB2 LYS 14 -2.815 -3.299 4.889 136 2HB LYS 14 HB1 LYS 14 -4.094 -3.379 6.094 137 1HG LYS 14 HG2 LYS 14 -4.183 -0.768 5.595 138 2HG LYS 14 HG1 LYS 14 -3.537 -1.319 4.047 139 1HD LYS 14 HD2 LYS 14 -5.472 -2.311 3.451 140 2HD LYS 14 HD1 LYS 14 -5.794 -2.891 5.086 141 1HE LYS 14 HE2 LYS 14 -6.383 -0.511 5.682 142 2HE LYS 14 HE1 LYS 14 -6.316 -0.149 3.958 143 1HZ LYS 14 HZ1 LYS 14 -8.568 -0.605 4.602 144 2HZ LYS 14 HZ2 LYS 14 -8.131 -2.090 5.284 145 3HZ LYS 14 HZ3 LYS 14 -8.023 -1.864 3.611 146 H ILE 15 HN ILE 15 -0.364 -3.742 6.858 147 HA ILE 15 HA ILE 15 -1.484 -5.606 8.773 148 HB ILE 15 HB ILE 15 1.313 -5.573 7.639 149 1HG1 ILE 15 HG12 ILE 15 -1.045 -7.173 6.636 150 2HG1 ILE 15 HG11 ILE 15 -0.529 -5.656 5.907 151 1HG2 ILE 15 HG21 ILE 15 1.527 -7.108 9.276 152 2HG2 ILE 15 HG22 ILE 15 0.727 -8.159 8.107 153 3HG2 ILE 15 HG23 ILE 15 -0.211 -7.390 9.386 154 1HD1 ILE 15 HD11 ILE 15 1.563 -6.597 5.265 155 2HD1 ILE 15 HD12 ILE 15 0.286 -7.698 4.749 156 3HD1 ILE 15 HD13 ILE 15 1.243 -8.067 6.184 157 H GLN 16 HN GLN 16 0.765 -2.942 8.710 158 HA GLN 16 HA GLN 16 1.070 -3.200 11.622 159 1HB GLN 16 HB2 GLN 16 3.125 -3.740 9.917 160 2HB GLN 16 HB1 GLN 16 3.368 -2.022 10.198 161 1HG GLN 16 HG2 GLN 16 3.241 -4.188 12.282 162 2HG GLN 16 HG1 GLN 16 4.673 -3.300 11.762 163 1HE2 GLN 16 HE21 GLN 16 1.684 -3.137 13.541 164 2HE2 GLN 16 HE22 GLN 16 2.045 -1.686 14.407 165 H ASN 17 HN ASN 17 -0.819 -1.621 10.283 166 HA ASN 17 HA ASN 17 -0.057 1.018 9.783 167 1HB ASN 17 HB2 ASN 17 -2.424 1.588 10.176 168 2HB ASN 17 HB1 ASN 17 -2.257 0.155 9.166 169 1HD2 ASN 17 HD21 ASN 17 -4.142 1.368 11.402 170 2HD2 ASN 17 HD22 ASN 17 -4.590 -0.049 12.283 171 H ASP 18 HN ASP 18 0.802 2.489 11.077 172 HA ASP 18 HA ASP 18 0.568 2.170 13.972 173 1HB ASP 18 HB2 ASP 18 2.356 3.907 12.262 174 2HB ASP 18 HB1 ASP 18 2.335 3.967 14.022 175 H LYS 19 HN LYS 19 0.554 4.966 11.753 176 HA LYS 19 HA LYS 19 -1.108 6.457 13.592 177 1HB LYS 19 HB2 LYS 19 0.585 7.051 11.290 178 2HB LYS 19 HB1 LYS 19 -0.926 7.950 11.265 179 1HG LYS 19 HG2 LYS 19 0.886 7.868 13.660 180 2HG LYS 19 HG1 LYS 19 1.020 9.082 12.386 181 1HD LYS 19 HD2 LYS 19 -1.287 9.780 12.805 182 2HD LYS 19 HD1 LYS 19 -1.430 8.557 14.070 183 1HE LYS 19 HE2 LYS 19 0.407 9.663 15.297 184 2HE LYS 19 HE1 LYS 19 0.451 10.915 14.057 185 1HZ LYS 19 HZ1 LYS 19 -2.119 10.979 14.714 186 2HZ LYS 19 HZ2 LYS 19 -0.948 11.931 15.477 187 3HZ LYS 19 HZ3 LYS 19 -1.467 10.492 16.198 188 1HN NH2 20 NH1 NH2 20 -2.981 5.120 13.514 189 2HN NH2 20 NH2 NH2 20 -4.088 5.220 12.192 Start of MODEL 3 1 1H ALA 1 HT1 ALA 1 0.426 3.410 -15.446 2 2H ALA 1 HT2 ALA 1 -0.812 4.104 -14.481 3 3H ALA 1 HT3 ALA 1 -0.745 4.437 -16.163 4 HA ALA 1 HA ALA 1 -2.432 2.792 -15.357 5 1HB ALA 1 HB1 ALA 1 -1.862 1.269 -17.339 6 2HB ALA 1 HB2 ALA 1 -0.487 2.344 -17.595 7 3HB ALA 1 HB3 ALA 1 -2.130 2.981 -17.663 8 H LYS 2 HN LYS 2 0.862 1.485 -15.782 9 HA LYS 2 HA LYS 2 0.109 -0.857 -14.209 10 1HB LYS 2 HB2 LYS 2 1.645 -0.608 -16.455 11 2HB LYS 2 HB1 LYS 2 2.875 -0.660 -15.200 12 1HG LYS 2 HG2 LYS 2 0.796 -2.692 -14.900 13 2HG LYS 2 HG1 LYS 2 1.734 -2.831 -16.389 14 1HD LYS 2 HD2 LYS 2 3.065 -2.468 -13.723 15 2HD LYS 2 HD1 LYS 2 2.589 -4.064 -14.306 16 1HE LYS 2 HE2 LYS 2 3.886 -3.472 -16.429 17 2HE LYS 2 HE1 LYS 2 4.578 -2.150 -15.490 18 1HZ LYS 2 HZ1 LYS 2 4.654 -4.812 -14.297 19 2HZ LYS 2 HZ2 LYS 2 5.790 -3.561 -14.224 20 3HZ LYS 2 HZ3 LYS 2 5.688 -4.530 -15.607 21 H LYS 3 HN LYS 3 0.107 1.342 -12.641 22 HA LYS 3 HA LYS 3 2.518 0.947 -10.987 23 1HB LYS 3 HB2 LYS 3 2.365 3.351 -10.336 24 2HB LYS 3 HB1 LYS 3 2.783 3.106 -12.026 25 1HG LYS 3 HG2 LYS 3 0.811 3.955 -12.786 26 2HG LYS 3 HG1 LYS 3 -0.081 3.471 -11.342 27 1HD LYS 3 HD2 LYS 3 0.307 5.426 -10.319 28 2HD LYS 3 HD1 LYS 3 2.005 5.438 -10.800 29 1HE LYS 3 HE2 LYS 3 0.810 7.338 -11.753 30 2HE LYS 3 HE1 LYS 3 1.378 6.247 -13.016 31 1HZ LYS 3 HZ1 LYS 3 -1.082 5.292 -12.520 32 2HZ LYS 3 HZ2 LYS 3 -0.718 6.402 -13.744 33 3HZ LYS 3 HZ3 LYS 3 -1.320 6.947 -12.260 34 H VAL 4 HN VAL 4 0.130 -0.446 -10.735 35 HA VAL 4 HA VAL 4 -1.496 0.671 -8.666 36 HB VAL 4 HB VAL 4 -1.085 -2.264 -9.274 37 1HG1 VAL 4 HG11 VAL 4 -3.563 -2.216 -8.451 38 2HG1 VAL 4 HG12 VAL 4 -3.071 -0.709 -7.680 39 3HG1 VAL 4 HG13 VAL 4 -2.241 -2.213 -7.284 40 1HG2 VAL 4 HG21 VAL 4 -3.373 -0.683 -10.363 41 2HG2 VAL 4 HG22 VAL 4 -2.670 -2.192 -10.947 42 3HG2 VAL 4 HG23 VAL 4 -1.821 -0.667 -11.202 43 H PHE 5 HN PHE 5 1.601 -0.363 -8.873 44 HA PHE 5 HA PHE 5 2.296 -1.766 -6.670 45 1HB PHE 5 HB2 PHE 5 3.784 -1.032 -8.525 46 2HB PHE 5 HB1 PHE 5 3.773 0.588 -7.847 47 HD1 PHE 5 HD1 PHE 5 4.188 -2.798 -6.326 48 HD2 PHE 5 HD2 PHE 5 5.833 1.076 -6.956 49 HE1 PHE 5 HE1 PHE 5 6.105 -3.385 -4.900 50 HE2 PHE 5 HE2 PHE 5 7.754 0.496 -5.532 51 HZ PHE 5 HZ PHE 5 7.892 -1.737 -4.502 52 H LYS 6 HN LYS 6 1.194 1.455 -6.828 53 HA LYS 6 HA LYS 6 2.151 2.354 -4.310 54 1HB LYS 6 HB2 LYS 6 1.293 3.789 -6.247 55 2HB LYS 6 HB1 LYS 6 -0.325 3.372 -5.702 56 1HG LYS 6 HG2 LYS 6 -0.114 4.572 -3.734 57 2HG LYS 6 HG1 LYS 6 1.650 4.552 -3.795 58 1HD LYS 6 HD2 LYS 6 1.747 6.379 -5.107 59 2HD LYS 6 HD1 LYS 6 0.357 5.880 -6.073 60 1HE LYS 6 HE2 LYS 6 -0.730 7.542 -5.042 61 2HE LYS 6 HE1 LYS 6 -0.788 6.455 -3.654 62 1HZ LYS 6 HZ1 LYS 6 1.548 8.202 -4.048 63 2HZ LYS 6 HZ2 LYS 6 0.932 7.548 -2.615 64 3HZ LYS 6 HZ3 LYS 6 0.133 8.834 -3.368 65 H ARG 7 HN ARG 7 -0.868 0.876 -5.412 66 HA ARG 7 HA ARG 7 -2.254 1.041 -2.968 67 1HB ARG 7 HB2 ARG 7 -2.535 -0.465 -5.489 68 2HB ARG 7 HB1 ARG 7 -3.243 -1.241 -4.079 69 1HG ARG 7 HG2 ARG 7 -3.836 1.593 -4.893 70 2HG ARG 7 HG1 ARG 7 -4.803 0.202 -5.388 71 1HD ARG 7 HD2 ARG 7 -5.894 0.213 -3.453 72 2HD ARG 7 HD1 ARG 7 -4.380 0.127 -2.554 73 HE ARG 7 HE ARG 7 -4.700 2.758 -3.396 74 1HH1 ARG 7 HH11 ARG 7 -6.299 0.487 -1.283 75 2HH1 ARG 7 HH12 ARG 7 -6.910 1.712 -0.223 76 1HH2 ARG 7 HH21 ARG 7 -5.503 4.371 -2.002 77 2HH2 ARG 7 HH22 ARG 7 -6.459 3.917 -0.631 78 H LEU 8 HN LEU 8 0.112 -1.217 -4.221 79 HA LEU 8 HA LEU 8 -0.224 -3.256 -2.305 80 1HB LEU 8 HB2 LEU 8 1.161 -3.178 -4.527 81 2HB LEU 8 HB1 LEU 8 2.450 -2.608 -3.485 82 HG LEU 8 HG LEU 8 2.713 -4.967 -3.767 83 1HD1 LEU 8 HD11 LEU 8 1.452 -4.832 -1.067 84 2HD1 LEU 8 HD12 LEU 8 2.861 -3.833 -1.423 85 3HD1 LEU 8 HD13 LEU 8 2.966 -5.587 -1.567 86 1HD2 LEU 8 HD21 LEU 8 0.122 -5.656 -2.512 87 2HD2 LEU 8 HD22 LEU 8 1.060 -6.521 -3.729 88 3HD2 LEU 8 HD23 LEU 8 0.087 -5.126 -4.194 89 H GLU 9 HN GLU 9 1.675 -0.288 -2.338 90 HA GLU 9 HA GLU 9 3.111 -0.820 0.053 91 1HB GLU 9 HB2 GLU 9 3.474 0.993 -1.832 92 2HB GLU 9 HB1 GLU 9 2.452 1.975 -0.791 93 1HG GLU 9 HG2 GLU 9 4.248 0.983 0.992 94 2HG GLU 9 HG1 GLU 9 5.235 1.140 -0.460 95 H LYS 10 HN LYS 10 -0.031 0.530 -0.659 96 HA LYS 10 HA LYS 10 -0.510 1.610 1.933 97 1HB LYS 10 HB2 LYS 10 -1.933 1.382 -0.566 98 2HB LYS 10 HB1 LYS 10 -2.987 0.924 0.765 99 1HG LYS 10 HG2 LYS 10 -3.162 3.025 1.506 100 2HG LYS 10 HG1 LYS 10 -1.446 3.356 1.264 101 1HD LYS 10 HD2 LYS 10 -2.194 3.272 -1.288 102 2HD LYS 10 HD1 LYS 10 -3.740 3.742 -0.580 103 1HE LYS 10 HE2 LYS 10 -2.926 5.829 -0.765 104 2HE LYS 10 HE1 LYS 10 -2.050 5.422 0.710 105 1HZ LYS 10 HZ1 LYS 10 -0.187 4.688 -0.715 106 2HZ LYS 10 HZ2 LYS 10 -0.528 6.337 -0.866 107 3HZ LYS 10 HZ3 LYS 10 -1.024 5.258 -2.070 108 H LEU 11 HN LEU 11 -1.012 -1.504 0.399 109 HA LEU 11 HA LEU 11 -2.627 -2.645 2.423 110 1HB LEU 11 HB2 LEU 11 -1.908 -3.443 -0.035 111 2HB LEU 11 HB1 LEU 11 -0.756 -4.376 0.902 112 HG LEU 11 HG LEU 11 -3.617 -4.497 1.713 113 1HD1 LEU 11 HD11 LEU 11 -3.704 -4.711 -0.726 114 2HD1 LEU 11 HD12 LEU 11 -4.088 -6.233 0.080 115 3HD1 LEU 11 HD13 LEU 11 -2.500 -5.997 -0.652 116 1HD2 LEU 11 HD21 LEU 11 -1.390 -5.686 2.635 117 2HD2 LEU 11 HD22 LEU 11 -1.902 -6.882 1.444 118 3HD2 LEU 11 HD23 LEU 11 -2.996 -6.407 2.743 119 H PHE 12 HN PHE 12 0.826 -2.244 2.015 120 HA PHE 12 HA PHE 12 1.647 -4.043 4.040 121 1HB PHE 12 HB2 PHE 12 3.172 -3.134 2.305 122 2HB PHE 12 HB1 PHE 12 3.050 -1.546 3.056 123 HD1 PHE 12 HD1 PHE 12 3.572 -4.982 4.417 124 HD2 PHE 12 HD2 PHE 12 5.029 -0.999 4.071 125 HE1 PHE 12 HE1 PHE 12 5.451 -5.545 5.902 126 HE2 PHE 12 HE2 PHE 12 6.912 -1.555 5.554 127 HZ PHE 12 HZ PHE 12 7.125 -3.831 6.471 128 H SER 13 HN SER 13 0.616 -0.691 4.049 129 HA SER 13 HA SER 13 1.378 -0.176 6.745 130 1HB SER 13 HB2 SER 13 -0.427 1.227 4.788 131 2HB SER 13 HB1 SER 13 -0.303 1.767 6.462 132 HG SER 13 HG SER 13 1.835 2.221 6.155 133 H LYS 14 HN LYS 14 -1.163 -1.883 5.305 134 HA LYS 14 HA LYS 14 -2.995 -1.585 7.519 135 1HB LYS 14 HB2 LYS 14 -3.054 -2.894 4.863 136 2HB LYS 14 HB1 LYS 14 -4.047 -3.628 6.115 137 1HG LYS 14 HG2 LYS 14 -5.512 -1.914 6.151 138 2HG LYS 14 HG1 LYS 14 -4.270 -0.701 5.833 139 1HD LYS 14 HD2 LYS 14 -5.544 -0.689 3.884 140 2HD LYS 14 HD1 LYS 14 -4.182 -1.732 3.471 141 1HE LYS 14 HE2 LYS 14 -5.831 -3.099 2.746 142 2HE LYS 14 HE1 LYS 14 -5.868 -3.573 4.444 143 1HZ LYS 14 HZ1 LYS 14 -7.530 -1.507 4.488 144 2HZ LYS 14 HZ2 LYS 14 -8.041 -3.094 4.204 145 3HZ LYS 14 HZ3 LYS 14 -7.797 -2.040 2.904 146 H ILE 15 HN ILE 15 -0.398 -3.585 6.627 147 HA ILE 15 HA ILE 15 -1.169 -5.814 8.308 148 HB ILE 15 HB ILE 15 1.497 -5.326 6.978 149 1HG1 ILE 15 HG12 ILE 15 -0.652 -7.125 5.894 150 2HG1 ILE 15 HG11 ILE 15 -0.636 -5.411 5.490 151 1HG2 ILE 15 HG21 ILE 15 0.216 -7.870 7.966 152 2HG2 ILE 15 HG22 ILE 15 1.499 -6.983 8.790 153 3HG2 ILE 15 HG23 ILE 15 1.806 -7.721 7.217 154 1HD1 ILE 15 HD11 ILE 15 1.286 -7.554 4.731 155 2HD1 ILE 15 HD12 ILE 15 1.830 -5.878 4.812 156 3HD1 ILE 15 HD13 ILE 15 0.512 -6.325 3.730 157 H GLN 16 HN GLN 16 0.836 -2.960 8.481 158 HA GLN 16 HA GLN 16 1.264 -3.476 11.322 159 1HB GLN 16 HB2 GLN 16 3.331 -3.666 9.322 160 2HB GLN 16 HB1 GLN 16 3.688 -2.350 10.431 161 1HG GLN 16 HG2 GLN 16 2.861 -4.964 11.569 162 2HG GLN 16 HG1 GLN 16 4.484 -4.812 10.898 163 1HE2 GLN 16 HE21 GLN 16 2.355 -2.717 12.820 164 2HE2 GLN 16 HE22 GLN 16 3.517 -2.381 14.054 165 H ASN 17 HN ASN 17 -0.431 -1.808 11.303 166 HA ASN 17 HA ASN 17 0.477 0.873 10.579 167 1HB ASN 17 HB2 ASN 17 -1.922 -0.228 10.194 168 2HB ASN 17 HB1 ASN 17 -2.195 0.409 11.813 169 1HD2 ASN 17 HD21 ASN 17 -2.616 2.511 12.059 170 2HD2 ASN 17 HD22 ASN 17 -2.585 3.681 10.788 171 H ASP 18 HN ASP 18 1.642 1.907 12.057 172 HA ASP 18 HA ASP 18 1.740 1.257 14.788 173 1HB ASP 18 HB2 ASP 18 2.927 3.244 13.022 174 2HB ASP 18 HB1 ASP 18 2.586 3.905 14.619 175 H LYS 19 HN LYS 19 0.708 4.435 13.574 176 HA LYS 19 HA LYS 19 -1.175 4.609 15.805 177 1HB LYS 19 HB2 LYS 19 -0.073 6.683 13.907 178 2HB LYS 19 HB1 LYS 19 -1.332 7.028 15.086 179 1HG LYS 19 HG2 LYS 19 0.468 5.943 16.722 180 2HG LYS 19 HG1 LYS 19 1.559 6.553 15.476 181 1HD LYS 19 HD2 LYS 19 -0.288 8.611 15.956 182 2HD LYS 19 HD1 LYS 19 0.162 7.987 17.544 183 1HE LYS 19 HE2 LYS 19 2.582 8.106 16.318 184 2HE LYS 19 HE1 LYS 19 1.755 9.470 15.569 185 1HZ LYS 19 HZ1 LYS 19 2.478 10.536 17.392 186 2HZ LYS 19 HZ2 LYS 19 2.649 9.123 18.305 187 3HZ LYS 19 HZ3 LYS 19 1.126 9.838 18.133 188 1HN NH2 20 NH1 NH2 20 -1.197 5.594 12.388 189 2HN NH2 20 NH2 NH2 20 -2.848 5.179 12.096 Start of MODEL 4 1 1H ALA 1 HT1 ALA 1 -0.604 1.479 -18.638 2 2H ALA 1 HT2 ALA 1 0.538 0.442 -17.885 3 3H ALA 1 HT3 ALA 1 1.071 1.820 -18.758 4 HA ALA 1 HA ALA 1 1.246 2.526 -16.645 5 1HB ALA 1 HB1 ALA 1 -0.108 4.328 -16.644 6 2HB ALA 1 HB2 ALA 1 -1.573 3.362 -16.819 7 3HB ALA 1 HB3 ALA 1 -0.577 3.716 -18.230 8 H LYS 2 HN LYS 2 1.019 0.014 -15.992 9 HA LYS 2 HA LYS 2 -1.273 -0.295 -14.194 10 1HB LYS 2 HB2 LYS 2 -0.375 -2.090 -15.911 11 2HB LYS 2 HB1 LYS 2 0.756 -2.450 -14.613 12 1HG LYS 2 HG2 LYS 2 -0.881 -3.250 -13.220 13 2HG LYS 2 HG1 LYS 2 -2.153 -2.304 -13.994 14 1HD LYS 2 HD2 LYS 2 -0.861 -4.275 -15.743 15 2HD LYS 2 HD1 LYS 2 -1.740 -4.969 -14.379 16 1HE LYS 2 HE2 LYS 2 -3.759 -4.292 -15.159 17 2HE LYS 2 HE1 LYS 2 -3.107 -2.819 -15.876 18 1HZ LYS 2 HZ1 LYS 2 -2.120 -4.242 -17.632 19 2HZ LYS 2 HZ2 LYS 2 -3.811 -4.254 -17.620 20 3HZ LYS 2 HZ3 LYS 2 -2.953 -5.566 -16.986 21 H LYS 3 HN LYS 3 0.224 1.582 -13.180 22 HA LYS 3 HA LYS 3 2.223 0.436 -11.377 23 1HB LYS 3 HB2 LYS 3 2.736 2.738 -10.780 24 2HB LYS 3 HB1 LYS 3 2.722 2.562 -12.529 25 1HG LYS 3 HG2 LYS 3 1.128 4.090 -12.760 26 2HG LYS 3 HG1 LYS 3 0.124 3.334 -11.521 27 1HD LYS 3 HD2 LYS 3 0.845 4.734 -9.902 28 2HD LYS 3 HD1 LYS 3 2.495 4.770 -10.526 29 1HE LYS 3 HE2 LYS 3 0.447 6.081 -12.197 30 2HE LYS 3 HE1 LYS 3 0.795 6.857 -10.653 31 1HZ LYS 3 HZ1 LYS 3 2.182 7.339 -12.849 32 2HZ LYS 3 HZ2 LYS 3 3.092 6.046 -12.247 33 3HZ LYS 3 HZ3 LYS 3 2.864 7.431 -11.303 34 H VAL 4 HN VAL 4 -0.334 -0.499 -10.910 35 HA VAL 4 HA VAL 4 -1.582 0.917 -8.763 36 HB VAL 4 HB VAL 4 -2.841 -0.764 -10.050 37 1HG1 VAL 4 HG11 VAL 4 -1.479 -3.023 -8.702 38 2HG1 VAL 4 HG12 VAL 4 -0.646 -2.270 -10.062 39 3HG1 VAL 4 HG13 VAL 4 -2.260 -2.947 -10.281 40 1HG2 VAL 4 HG21 VAL 4 -3.925 -1.880 -8.204 41 2HG2 VAL 4 HG22 VAL 4 -3.483 -0.243 -7.718 42 3HG2 VAL 4 HG23 VAL 4 -2.518 -1.616 -7.174 43 H PHE 5 HN PHE 5 1.267 -0.632 -9.158 44 HA PHE 5 HA PHE 5 1.867 -2.113 -6.973 45 1HB PHE 5 HB2 PHE 5 3.319 -1.684 -8.947 46 2HB PHE 5 HB1 PHE 5 3.632 -0.071 -8.326 47 HD1 PHE 5 HD1 PHE 5 5.877 -0.022 -7.776 48 HD2 PHE 5 HD2 PHE 5 3.515 -3.342 -6.547 49 HE1 PHE 5 HE1 PHE 5 7.778 -0.888 -6.475 50 HE2 PHE 5 HE2 PHE 5 5.411 -4.213 -5.243 51 HZ PHE 5 HZ PHE 5 7.546 -2.985 -5.205 52 H LYS 6 HN LYS 6 1.311 1.242 -7.140 53 HA LYS 6 HA LYS 6 2.595 1.999 -4.718 54 1HB LYS 6 HB2 LYS 6 2.017 3.619 -6.502 55 2HB LYS 6 HB1 LYS 6 0.311 3.354 -6.171 56 1HG LYS 6 HG2 LYS 6 0.454 5.086 -4.789 57 2HG LYS 6 HG1 LYS 6 1.333 4.011 -3.701 58 1HD LYS 6 HD2 LYS 6 2.971 5.225 -5.814 59 2HD LYS 6 HD1 LYS 6 2.288 6.373 -4.661 60 1HE LYS 6 HE2 LYS 6 3.674 3.883 -3.732 61 2HE LYS 6 HE1 LYS 6 4.592 5.327 -4.156 62 1HZ LYS 6 HZ1 LYS 6 2.742 6.364 -2.547 63 2HZ LYS 6 HZ2 LYS 6 4.247 5.818 -2.004 64 3HZ LYS 6 HZ3 LYS 6 2.887 4.823 -1.864 65 H ARG 7 HN ARG 7 -0.621 0.885 -5.584 66 HA ARG 7 HA ARG 7 -1.890 1.400 -3.125 67 1HB ARG 7 HB2 ARG 7 -2.412 -0.657 -5.271 68 2HB ARG 7 HB1 ARG 7 -3.436 -0.485 -3.852 69 1HG ARG 7 HG2 ARG 7 -2.872 1.885 -5.578 70 2HG ARG 7 HG1 ARG 7 -4.084 0.699 -6.064 71 1HD ARG 7 HD2 ARG 7 -5.363 1.076 -4.098 72 2HD ARG 7 HD1 ARG 7 -4.071 2.022 -3.361 73 HE ARG 7 HE ARG 7 -4.639 3.432 -5.585 74 1HH1 ARG 7 HH11 ARG 7 -6.645 2.150 -3.032 75 2HH1 ARG 7 HH12 ARG 7 -7.833 3.402 -3.167 76 1HH2 ARG 7 HH21 ARG 7 -6.202 5.079 -5.763 77 2HH2 ARG 7 HH22 ARG 7 -7.582 5.064 -4.718 78 H LEU 8 HN LEU 8 0.178 -1.194 -4.248 79 HA LEU 8 HA LEU 8 -0.320 -3.056 -2.204 80 1HB LEU 8 HB2 LEU 8 2.018 -2.532 -4.010 81 2HB LEU 8 HB1 LEU 8 2.133 -3.737 -2.742 82 HG LEU 8 HG LEU 8 -0.024 -3.791 -4.844 83 1HD1 LEU 8 HD11 LEU 8 1.700 -4.164 -6.257 84 2HD1 LEU 8 HD12 LEU 8 1.597 -5.789 -5.578 85 3HD1 LEU 8 HD13 LEU 8 2.798 -4.652 -4.966 86 1HD2 LEU 8 HD21 LEU 8 -0.258 -6.107 -4.164 87 2HD2 LEU 8 HD22 LEU 8 -0.449 -5.042 -2.771 88 3HD2 LEU 8 HD23 LEU 8 1.060 -5.923 -3.007 89 H GLU 9 HN GLU 9 1.915 -0.323 -2.420 90 HA GLU 9 HA GLU 9 3.263 -0.815 0.015 91 1HB GLU 9 HB2 GLU 9 2.790 1.803 -1.429 92 2HB GLU 9 HB1 GLU 9 3.945 1.561 -0.125 93 1HG GLU 9 HG2 GLU 9 4.211 -0.267 -2.414 94 2HG GLU 9 HG1 GLU 9 4.562 1.430 -2.740 95 H LYS 10 HN LYS 10 0.280 0.819 -0.803 96 HA LYS 10 HA LYS 10 -0.156 2.085 1.685 97 1HB LYS 10 HB2 LYS 10 -1.741 1.481 -0.727 98 2HB LYS 10 HB1 LYS 10 -2.679 1.612 0.754 99 1HG LYS 10 HG2 LYS 10 -0.834 3.701 -0.383 100 2HG LYS 10 HG1 LYS 10 -2.598 3.742 -0.379 101 1HD LYS 10 HD2 LYS 10 -2.353 3.520 2.191 102 2HD LYS 10 HD1 LYS 10 -0.693 4.049 1.912 103 1HE LYS 10 HE2 LYS 10 -2.048 5.871 0.447 104 2HE LYS 10 HE1 LYS 10 -3.221 5.548 1.723 105 1HZ LYS 10 HZ1 LYS 10 -0.479 5.976 2.585 106 2HZ LYS 10 HZ2 LYS 10 -1.927 6.508 3.277 107 3HZ LYS 10 HZ3 LYS 10 -1.272 7.330 1.952 108 H LEU 11 HN LEU 11 -0.892 -1.116 0.425 109 HA LEU 11 HA LEU 11 -2.551 -1.998 2.515 110 1HB LEU 11 HB2 LEU 11 -1.237 -3.137 0.226 111 2HB LEU 11 HB1 LEU 11 -1.037 -4.204 1.603 112 HG LEU 11 HG LEU 11 -3.517 -4.159 1.920 113 1HD1 LEU 11 HD11 LEU 11 -3.540 -1.966 0.398 114 2HD1 LEU 11 HD12 LEU 11 -4.935 -3.033 0.562 115 3HD1 LEU 11 HD13 LEU 11 -3.878 -3.173 -0.843 116 1HD2 LEU 11 HD21 LEU 11 -2.619 -5.110 -0.795 117 2HD2 LEU 11 HD22 LEU 11 -3.982 -5.718 0.145 118 3HD2 LEU 11 HD23 LEU 11 -2.333 -5.970 0.718 119 H PHE 12 HN PHE 12 0.954 -1.914 2.152 120 HA PHE 12 HA PHE 12 1.586 -3.476 4.415 121 1HB PHE 12 HB2 PHE 12 3.166 -2.753 2.554 122 2HB PHE 12 HB1 PHE 12 3.247 -1.186 3.353 123 HD1 PHE 12 HD1 PHE 12 3.203 -4.615 4.794 124 HD2 PHE 12 HD2 PHE 12 5.389 -1.013 4.199 125 HE1 PHE 12 HE1 PHE 12 4.987 -5.461 6.263 126 HE2 PHE 12 HE2 PHE 12 7.178 -1.852 5.665 127 HZ PHE 12 HZ PHE 12 6.978 -4.078 6.699 128 H SER 13 HN SER 13 0.754 -0.104 3.994 129 HA SER 13 HA SER 13 1.497 0.726 6.607 130 1HB SER 13 HB2 SER 13 0.779 2.059 4.348 131 2HB SER 13 HB1 SER 13 -0.706 2.187 5.291 132 HG SER 13 HG SER 13 1.261 3.757 5.531 133 H LYS 14 HN LYS 14 -1.100 -1.061 5.360 134 HA LYS 14 HA LYS 14 -2.944 -0.449 7.486 135 1HB LYS 14 HB2 LYS 14 -3.467 -1.221 5.039 136 2HB LYS 14 HB1 LYS 14 -3.223 -2.833 5.698 137 1HG LYS 14 HG2 LYS 14 -4.919 -1.647 7.521 138 2HG LYS 14 HG1 LYS 14 -5.482 -1.033 5.966 139 1HD LYS 14 HD2 LYS 14 -6.222 -3.055 5.292 140 2HD LYS 14 HD1 LYS 14 -4.868 -3.911 6.034 141 1HE LYS 14 HE2 LYS 14 -6.461 -4.632 7.459 142 2HE LYS 14 HE1 LYS 14 -6.160 -3.082 8.241 143 1HZ LYS 14 HZ1 LYS 14 -8.324 -3.697 6.304 144 2HZ LYS 14 HZ2 LYS 14 -7.997 -2.152 6.910 145 3HZ LYS 14 HZ3 LYS 14 -8.504 -3.380 7.957 146 H ILE 15 HN ILE 15 -0.336 -2.561 6.984 147 HA ILE 15 HA ILE 15 -1.181 -4.533 8.928 148 HB ILE 15 HB ILE 15 1.555 -4.217 7.695 149 1HG1 ILE 15 HG12 ILE 15 -0.191 -4.424 5.954 150 2HG1 ILE 15 HG11 ILE 15 0.856 -5.838 6.013 151 1HG2 ILE 15 HG21 ILE 15 0.258 -6.204 9.444 152 2HG2 ILE 15 HG22 ILE 15 1.956 -5.751 9.300 153 3HG2 ILE 15 HG23 ILE 15 1.234 -6.852 8.126 154 1HD1 ILE 15 HD11 ILE 15 -0.849 -7.061 7.241 155 2HD1 ILE 15 HD12 ILE 15 -1.479 -6.452 5.710 156 3HD1 ILE 15 HD13 ILE 15 -1.893 -5.640 7.220 157 H GLN 16 HN GLN 16 0.803 -1.666 8.798 158 HA GLN 16 HA GLN 16 1.601 -2.094 11.600 159 1HB GLN 16 HB2 GLN 16 3.391 -0.475 11.195 160 2HB GLN 16 HB1 GLN 16 3.482 -1.813 10.059 161 1HG GLN 16 HG2 GLN 16 3.487 -0.377 8.384 162 2HG GLN 16 HG1 GLN 16 1.883 0.177 8.862 163 1HE2 GLN 16 HE21 GLN 16 1.690 2.231 9.393 164 2HE2 GLN 16 HE22 GLN 16 2.978 3.290 9.845 165 H ASN 17 HN ASN 17 -1.007 -1.129 10.717 166 HA ASN 17 HA ASN 17 -1.197 1.676 11.003 167 1HB ASN 17 HB2 ASN 17 -2.950 0.191 9.994 168 2HB ASN 17 HB1 ASN 17 -3.340 -0.368 11.618 169 1HD2 ASN 17 HD21 ASN 17 -5.473 0.446 11.079 170 2HD2 ASN 17 HD22 ASN 17 -5.818 2.122 11.320 171 H ASP 18 HN ASP 18 -1.430 -0.992 13.305 172 HA ASP 18 HA ASP 18 -2.305 0.446 15.534 173 1HB ASP 18 HB2 ASP 18 -1.213 -1.392 16.861 174 2HB ASP 18 HB1 ASP 18 -2.314 -1.949 15.605 175 H LYS 19 HN LYS 19 0.856 0.174 14.082 176 HA LYS 19 HA LYS 19 2.101 1.579 16.321 177 1HB LYS 19 HB2 LYS 19 3.052 -0.448 14.834 178 2HB LYS 19 HB1 LYS 19 3.669 0.903 13.894 179 1HG LYS 19 HG2 LYS 19 4.128 1.201 16.754 180 2HG LYS 19 HG1 LYS 19 4.887 -0.237 16.069 181 1HD LYS 19 HD2 LYS 19 5.195 2.212 14.472 182 2HD LYS 19 HD1 LYS 19 5.989 2.245 16.048 183 1HE LYS 19 HE2 LYS 19 6.347 -0.219 14.464 184 2HE LYS 19 HE1 LYS 19 7.116 1.231 13.821 185 1HZ LYS 19 HZ1 LYS 19 7.490 0.749 16.661 186 2HZ LYS 19 HZ2 LYS 19 8.591 1.299 15.501 187 3HZ LYS 19 HZ3 LYS 19 8.250 -0.352 15.626 188 1HN NH2 20 NH1 NH2 20 0.246 3.110 15.029 189 2HN NH2 20 NH2 NH2 20 1.027 4.366 14.136 Start of MODEL 5 1 1H ALA 1 HT1 ALA 1 -2.984 -0.512 -16.947 2 2H ALA 1 HT2 ALA 1 -1.786 0.294 -17.874 3 3H ALA 1 HT3 ALA 1 -3.317 1.028 -17.624 4 HA ALA 1 HA ALA 1 -1.417 1.870 -16.279 5 1HB ALA 1 HB1 ALA 1 -4.066 1.818 -15.834 6 2HB ALA 1 HB2 ALA 1 -2.911 2.590 -14.748 7 3HB ALA 1 HB3 ALA 1 -3.500 0.965 -14.398 8 H LYS 2 HN LYS 2 0.431 0.662 -15.982 9 HA LYS 2 HA LYS 2 0.287 -1.638 -14.172 10 1HB LYS 2 HB2 LYS 2 1.504 -1.713 -16.426 11 2HB LYS 2 HB1 LYS 2 2.729 -0.705 -15.668 12 1HG LYS 2 HG2 LYS 2 2.182 -2.914 -13.956 13 2HG LYS 2 HG1 LYS 2 2.469 -3.515 -15.590 14 1HD LYS 2 HD2 LYS 2 4.285 -1.640 -14.074 15 2HD LYS 2 HD1 LYS 2 4.541 -3.375 -14.267 16 1HE LYS 2 HE2 LYS 2 4.082 -2.059 -16.809 17 2HE LYS 2 HE1 LYS 2 5.451 -1.359 -15.947 18 1HZ LYS 2 HZ1 LYS 2 6.408 -3.566 -15.740 19 2HZ LYS 2 HZ2 LYS 2 6.135 -3.190 -17.367 20 3HZ LYS 2 HZ3 LYS 2 5.090 -4.243 -16.556 21 H LYS 3 HN LYS 3 -0.190 0.658 -12.842 22 HA LYS 3 HA LYS 3 2.269 0.979 -11.256 23 1HB LYS 3 HB2 LYS 3 1.304 2.979 -12.893 24 2HB LYS 3 HB1 LYS 3 0.580 3.381 -11.342 25 1HG LYS 3 HG2 LYS 3 3.417 2.697 -11.182 26 2HG LYS 3 HG1 LYS 3 3.071 4.121 -12.164 27 1HD LYS 3 HD2 LYS 3 3.149 5.184 -10.174 28 2HD LYS 3 HD1 LYS 3 1.487 4.607 -10.034 29 1HE LYS 3 HE2 LYS 3 2.506 4.022 -8.002 30 2HE LYS 3 HE1 LYS 3 2.470 2.530 -8.941 31 1HZ LYS 3 HZ1 LYS 3 4.856 4.179 -9.205 32 2HZ LYS 3 HZ2 LYS 3 4.705 2.496 -9.143 33 3HZ LYS 3 HZ3 LYS 3 4.641 3.403 -7.717 34 H VAL 4 HN VAL 4 0.150 -0.754 -10.774 35 HA VAL 4 HA VAL 4 -1.600 0.354 -8.788 36 HB VAL 4 HB VAL 4 -0.804 -2.545 -9.154 37 1HG1 VAL 4 HG11 VAL 4 -2.927 -1.150 -7.579 38 2HG1 VAL 4 HG12 VAL 4 -1.845 -2.456 -7.094 39 3HG1 VAL 4 HG13 VAL 4 -3.200 -2.789 -8.173 40 1HG2 VAL 4 HG21 VAL 4 -1.759 -1.460 -11.208 41 2HG2 VAL 4 HG22 VAL 4 -3.239 -1.183 -10.290 42 3HG2 VAL 4 HG23 VAL 4 -2.682 -2.829 -10.589 43 H PHE 5 HN PHE 5 1.601 -0.166 -8.998 44 HA PHE 5 HA PHE 5 2.531 -1.268 -6.692 45 1HB PHE 5 HB2 PHE 5 3.864 -0.537 -8.665 46 2HB PHE 5 HB1 PHE 5 3.650 1.128 -8.148 47 HD1 PHE 5 HD1 PHE 5 4.888 2.025 -6.290 48 HD2 PHE 5 HD2 PHE 5 5.303 -2.060 -7.410 49 HE1 PHE 5 HE1 PHE 5 6.898 1.847 -4.881 50 HE2 PHE 5 HE2 PHE 5 7.313 -2.246 -6.003 51 HZ PHE 5 HZ PHE 5 8.112 -0.291 -4.736 52 H LYS 6 HN LYS 6 0.933 1.702 -7.116 53 HA LYS 6 HA LYS 6 1.828 2.990 -4.738 54 1HB LYS 6 HB2 LYS 6 0.670 4.016 -6.837 55 2HB LYS 6 HB1 LYS 6 -0.824 3.560 -6.030 56 1HG LYS 6 HG2 LYS 6 -0.287 4.950 -4.141 57 2HG LYS 6 HG1 LYS 6 1.297 5.322 -4.823 58 1HD LYS 6 HD2 LYS 6 0.070 7.190 -5.413 59 2HD LYS 6 HD1 LYS 6 -0.077 6.186 -6.856 60 1HE LYS 6 HE2 LYS 6 -2.280 6.488 -6.652 61 2HE LYS 6 HE1 LYS 6 -2.188 5.347 -5.310 62 1HZ LYS 6 HZ1 LYS 6 -3.229 7.739 -5.041 63 2HZ LYS 6 HZ2 LYS 6 -1.618 8.154 -4.733 64 3HZ LYS 6 HZ3 LYS 6 -2.388 6.988 -3.779 65 H ARG 7 HN ARG 7 -1.008 1.051 -5.598 66 HA ARG 7 HA ARG 7 -2.316 1.252 -3.111 67 1HB ARG 7 HB2 ARG 7 -2.451 -0.624 -5.429 68 2HB ARG 7 HB1 ARG 7 -3.201 -1.116 -3.916 69 1HG ARG 7 HG2 ARG 7 -4.851 -0.087 -5.318 70 2HG ARG 7 HG1 ARG 7 -4.529 0.966 -3.939 71 1HD ARG 7 HD2 ARG 7 -3.475 2.550 -5.218 72 2HD ARG 7 HD1 ARG 7 -2.969 1.382 -6.439 73 HE ARG 7 HE ARG 7 -4.941 1.736 -7.552 74 1HH1 ARG 7 HH11 ARG 7 -5.191 3.081 -4.340 75 2HH1 ARG 7 HH12 ARG 7 -6.698 3.873 -4.654 76 1HH2 ARG 7 HH21 ARG 7 -6.924 2.778 -7.966 77 2HH2 ARG 7 HH22 ARG 7 -7.683 3.701 -6.712 78 H LEU 8 HN LEU 8 0.282 -0.764 -4.294 79 HA LEU 8 HA LEU 8 0.261 -2.699 -2.241 80 1HB LEU 8 HB2 LEU 8 2.221 -1.761 -4.272 81 2HB LEU 8 HB1 LEU 8 2.843 -2.689 -2.920 82 HG LEU 8 HG LEU 8 0.564 -3.708 -4.591 83 1HD1 LEU 8 HD11 LEU 8 1.922 -4.526 -6.208 84 2HD1 LEU 8 HD12 LEU 8 3.307 -4.674 -5.127 85 3HD1 LEU 8 HD13 LEU 8 2.868 -3.099 -5.787 86 1HD2 LEU 8 HD21 LEU 8 2.351 -4.752 -2.479 87 2HD2 LEU 8 HD22 LEU 8 1.939 -5.856 -3.791 88 3HD2 LEU 8 HD23 LEU 8 0.661 -5.121 -2.824 89 H GLU 9 HN GLU 9 1.630 0.520 -2.499 90 HA GLU 9 HA GLU 9 3.287 0.362 -0.199 91 1HB GLU 9 HB2 GLU 9 3.088 2.149 -2.188 92 2HB GLU 9 HB1 GLU 9 2.110 2.978 -0.984 93 1HG GLU 9 HG2 GLU 9 3.984 3.794 -0.143 94 2HG GLU 9 HG1 GLU 9 4.383 2.163 0.392 95 H LYS 10 HN LYS 10 -0.081 1.182 -0.731 96 HA LYS 10 HA LYS 10 -0.560 2.218 1.877 97 1HB LYS 10 HB2 LYS 10 -2.252 1.326 -0.413 98 2HB LYS 10 HB1 LYS 10 -3.010 1.450 1.168 99 1HG LYS 10 HG2 LYS 10 -1.392 3.752 0.233 100 2HG LYS 10 HG1 LYS 10 -2.957 3.472 -0.533 101 1HD LYS 10 HD2 LYS 10 -3.347 4.952 1.278 102 2HD LYS 10 HD1 LYS 10 -3.942 3.370 1.788 103 1HE LYS 10 HE2 LYS 10 -1.128 4.092 2.424 104 2HE LYS 10 HE1 LYS 10 -2.414 4.859 3.354 105 1HZ LYS 10 HZ1 LYS 10 -2.824 2.980 4.456 106 2HZ LYS 10 HZ2 LYS 10 -1.329 2.438 3.882 107 3HZ LYS 10 HZ3 LYS 10 -2.749 2.018 3.066 108 H LEU 11 HN LEU 11 -0.679 -0.964 0.410 109 HA LEU 11 HA LEU 11 -1.952 -2.307 2.545 110 1HB LEU 11 HB2 LEU 11 -0.412 -3.064 0.142 111 2HB LEU 11 HB1 LEU 11 -0.379 -4.233 1.449 112 HG LEU 11 HG LEU 11 -3.020 -3.801 1.358 113 1HD1 LEU 11 HD11 LEU 11 -3.032 -2.205 -0.409 114 2HD1 LEU 11 HD12 LEU 11 -3.666 -3.718 -1.058 115 3HD1 LEU 11 HD13 LEU 11 -2.011 -3.229 -1.420 116 1HD2 LEU 11 HD21 LEU 11 -3.127 -5.933 0.630 117 2HD2 LEU 11 HD22 LEU 11 -1.378 -5.872 0.844 118 3HD2 LEU 11 HD23 LEU 11 -2.080 -5.627 -0.755 119 H PHE 12 HN PHE 12 1.356 -1.349 1.918 120 HA PHE 12 HA PHE 12 2.616 -2.942 3.872 121 1HB PHE 12 HB2 PHE 12 3.772 -1.657 2.039 122 2HB PHE 12 HB1 PHE 12 3.482 -0.189 2.966 123 HD1 PHE 12 HD1 PHE 12 4.975 0.478 4.618 124 HD2 PHE 12 HD2 PHE 12 5.118 -3.515 3.154 125 HE1 PHE 12 HE1 PHE 12 7.054 0.095 5.878 126 HE2 PHE 12 HE2 PHE 12 7.196 -3.907 4.412 127 HZ PHE 12 HZ PHE 12 8.167 -2.100 5.776 128 H SER 13 HN SER 13 1.023 0.198 4.007 129 HA SER 13 HA SER 13 1.800 0.782 6.679 130 1HB SER 13 HB2 SER 13 0.645 2.244 4.696 131 2HB SER 13 HB1 SER 13 -0.751 1.924 5.725 132 HG SER 13 HG SER 13 0.563 3.860 6.207 133 H LYS 14 HN LYS 14 -0.420 -1.374 5.336 134 HA LYS 14 HA LYS 14 -2.182 -1.450 7.624 135 1HB LYS 14 HB2 LYS 14 -2.809 -1.928 5.154 136 2HB LYS 14 HB1 LYS 14 -2.113 -3.516 5.448 137 1HG LYS 14 HG2 LYS 14 -3.711 -3.951 7.191 138 2HG LYS 14 HG1 LYS 14 -4.347 -2.309 7.066 139 1HD LYS 14 HD2 LYS 14 -5.882 -3.322 5.746 140 2HD LYS 14 HD1 LYS 14 -4.636 -3.098 4.516 141 1HE LYS 14 HE2 LYS 14 -4.721 -5.298 4.184 142 2HE LYS 14 HE1 LYS 14 -3.947 -5.480 5.758 143 1HZ LYS 14 HZ1 LYS 14 -6.860 -5.161 5.656 144 2HZ LYS 14 HZ2 LYS 14 -5.909 -6.013 6.764 145 3HZ LYS 14 HZ3 LYS 14 -6.199 -6.659 5.228 146 H ILE 15 HN ILE 15 0.725 -2.888 6.614 147 HA ILE 15 HA ILE 15 0.475 -5.236 8.291 148 HB ILE 15 HB ILE 15 2.951 -4.224 6.895 149 1HG1 ILE 15 HG12 ILE 15 0.852 -6.159 5.889 150 2HG1 ILE 15 HG11 ILE 15 1.120 -4.529 5.280 151 1HG2 ILE 15 HG21 ILE 15 3.963 -6.153 7.473 152 2HG2 ILE 15 HG22 ILE 15 2.483 -7.100 7.324 153 3HG2 ILE 15 HG23 ILE 15 2.775 -6.143 8.777 154 1HD1 ILE 15 HD11 ILE 15 2.199 -6.812 4.249 155 2HD1 ILE 15 HD12 ILE 15 3.515 -6.186 5.243 156 3HD1 ILE 15 HD13 ILE 15 2.806 -5.178 3.981 157 H GLN 16 HN GLN 16 1.895 -2.045 8.429 158 HA GLN 16 HA GLN 16 2.989 -2.677 11.093 159 1HB GLN 16 HB2 GLN 16 3.938 -0.917 8.891 160 2HB GLN 16 HB1 GLN 16 4.214 -0.367 10.538 161 1HG GLN 16 HG2 GLN 16 6.022 -1.632 10.606 162 2HG GLN 16 HG1 GLN 16 4.988 -3.055 10.496 163 1HE2 GLN 16 HE21 GLN 16 7.670 -1.916 9.287 164 2HE2 GLN 16 HE22 GLN 16 7.579 -2.459 7.649 165 H ASN 17 HN ASN 17 0.223 -1.990 10.495 166 HA ASN 17 HA ASN 17 -0.351 0.701 11.054 167 1HB ASN 17 HB2 ASN 17 -1.845 -1.838 10.993 168 2HB ASN 17 HB1 ASN 17 -2.522 -0.612 12.061 169 1HD2 ASN 17 HD21 ASN 17 -3.786 -1.586 9.760 170 2HD2 ASN 17 HD22 ASN 17 -3.927 -0.288 8.629 171 H ASP 18 HN ASP 18 -0.040 1.841 12.838 172 HA ASP 18 HA ASP 18 0.862 0.663 15.261 173 1HB ASP 18 HB2 ASP 18 0.027 3.467 14.527 174 2HB ASP 18 HB1 ASP 18 0.560 3.038 16.150 175 H LYS 19 HN LYS 19 -2.020 2.696 14.716 176 HA LYS 19 HA LYS 19 -3.311 1.381 16.988 177 1HB LYS 19 HB2 LYS 19 -3.405 4.031 15.815 178 2HB LYS 19 HB1 LYS 19 -5.022 3.367 16.009 179 1HG LYS 19 HG2 LYS 19 -3.592 2.826 18.389 180 2HG LYS 19 HG1 LYS 19 -3.314 4.517 17.968 181 1HD LYS 19 HD2 LYS 19 -5.513 5.084 18.226 182 2HD LYS 19 HD1 LYS 19 -6.091 3.479 17.778 183 1HE LYS 19 HE2 LYS 19 -5.473 2.595 19.922 184 2HE LYS 19 HE1 LYS 19 -4.685 4.107 20.368 185 1HZ LYS 19 HZ1 LYS 19 -7.135 4.975 19.822 186 2HZ LYS 19 HZ2 LYS 19 -6.651 4.481 21.365 187 3HZ LYS 19 HZ3 LYS 19 -7.505 3.416 20.366 188 1HN NH2 20 NH1 NH2 20 -4.626 2.668 13.960 189 2HN NH2 20 NH2 NH2 20 -5.577 1.280 13.570 Start of MODEL 6 1 1H ALA 1 HT1 ALA 1 0.775 3.018 -16.625 2 2H ALA 1 HT2 ALA 1 0.373 3.544 -15.041 3 3H ALA 1 HT3 ALA 1 -0.270 4.359 -16.408 4 HA ALA 1 HA ALA 1 -1.979 3.072 -15.626 5 1HB ALA 1 HB1 ALA 1 -1.227 2.888 -18.123 6 2HB ALA 1 HB2 ALA 1 -2.513 1.854 -17.500 7 3HB ALA 1 HB3 ALA 1 -0.880 1.216 -17.685 8 H LYS 2 HN LYS 2 0.975 1.127 -15.879 9 HA LYS 2 HA LYS 2 -0.205 -0.953 -14.211 10 1HB LYS 2 HB2 LYS 2 1.153 -1.536 -16.224 11 2HB LYS 2 HB1 LYS 2 2.557 -0.833 -15.434 12 1HG LYS 2 HG2 LYS 2 1.805 -2.541 -13.522 13 2HG LYS 2 HG1 LYS 2 1.181 -3.396 -14.934 14 1HD LYS 2 HD2 LYS 2 3.878 -2.355 -15.324 15 2HD LYS 2 HD1 LYS 2 3.766 -3.504 -13.989 16 1HE LYS 2 HE2 LYS 2 3.317 -5.248 -15.354 17 2HE LYS 2 HE1 LYS 2 2.353 -4.269 -16.459 18 1HZ LYS 2 HZ1 LYS 2 5.272 -3.911 -16.358 19 2HZ LYS 2 HZ2 LYS 2 4.203 -3.618 -17.635 20 3HZ LYS 2 HZ3 LYS 2 4.618 -5.206 -17.228 21 H LYS 3 HN LYS 3 -0.075 1.298 -12.762 22 HA LYS 3 HA LYS 3 2.264 0.888 -11.001 23 1HB LYS 3 HB2 LYS 3 2.049 3.139 -12.227 24 2HB LYS 3 HB1 LYS 3 0.683 3.453 -11.165 25 1HG LYS 3 HG2 LYS 3 2.215 3.071 -9.225 26 2HG LYS 3 HG1 LYS 3 3.550 3.009 -10.376 27 1HD LYS 3 HD2 LYS 3 1.980 5.330 -10.916 28 2HD LYS 3 HD1 LYS 3 2.349 5.286 -9.192 29 1HE LYS 3 HE2 LYS 3 4.740 4.588 -10.392 30 2HE LYS 3 HE1 LYS 3 4.085 5.830 -11.459 31 1HZ LYS 3 HZ1 LYS 3 4.305 7.420 -9.894 32 2HZ LYS 3 HZ2 LYS 3 5.507 6.387 -9.302 33 3HZ LYS 3 HZ3 LYS 3 3.966 6.379 -8.603 34 H VAL 4 HN VAL 4 -0.023 -0.669 -10.805 35 HA VAL 4 HA VAL 4 -1.751 0.294 -8.742 36 HB VAL 4 HB VAL 4 -2.445 -1.588 -10.167 37 1HG1 VAL 4 HG11 VAL 4 -0.145 -3.027 -8.857 38 2HG1 VAL 4 HG12 VAL 4 -0.356 -2.676 -10.573 39 3HG1 VAL 4 HG13 VAL 4 -1.421 -3.831 -9.771 40 1HG2 VAL 4 HG21 VAL 4 -2.135 -2.480 -7.303 41 2HG2 VAL 4 HG22 VAL 4 -3.362 -3.009 -8.454 42 3HG2 VAL 4 HG23 VAL 4 -3.358 -1.344 -7.872 43 H PHE 5 HN PHE 5 1.414 -0.534 -8.927 44 HA PHE 5 HA PHE 5 2.159 -1.890 -6.700 45 1HB PHE 5 HB2 PHE 5 3.609 -1.082 -8.576 46 2HB PHE 5 HB1 PHE 5 3.544 0.524 -7.869 47 HD1 PHE 5 HD1 PHE 5 5.382 1.150 -6.656 48 HD2 PHE 5 HD2 PHE 5 4.276 -2.959 -6.721 49 HE1 PHE 5 HE1 PHE 5 7.323 0.609 -5.243 50 HE2 PHE 5 HE2 PHE 5 6.213 -3.507 -5.307 51 HZ PHE 5 HZ PHE 5 7.740 -1.722 -4.567 52 H LYS 6 HN LYS 6 0.898 1.264 -6.930 53 HA LYS 6 HA LYS 6 1.782 2.275 -4.433 54 1HB LYS 6 HB2 LYS 6 0.414 3.307 -6.615 55 2HB LYS 6 HB1 LYS 6 -0.790 3.327 -5.333 56 1HG LYS 6 HG2 LYS 6 0.269 5.423 -5.265 57 2HG LYS 6 HG1 LYS 6 0.930 4.507 -3.909 58 1HD LYS 6 HD2 LYS 6 2.902 3.952 -5.266 59 2HD LYS 6 HD1 LYS 6 2.242 4.901 -6.599 60 1HE LYS 6 HE2 LYS 6 2.173 6.836 -4.904 61 2HE LYS 6 HE1 LYS 6 3.264 5.840 -3.940 62 1HZ LYS 6 HZ1 LYS 6 4.743 7.053 -5.159 63 2HZ LYS 6 HZ2 LYS 6 3.739 7.161 -6.515 64 3HZ LYS 6 HZ3 LYS 6 4.563 5.721 -6.187 65 H ARG 7 HN ARG 7 -1.054 0.479 -5.497 66 HA ARG 7 HA ARG 7 -2.529 0.658 -3.104 67 1HB ARG 7 HB2 ARG 7 -2.519 -1.224 -5.432 68 2HB ARG 7 HB1 ARG 7 -3.439 -1.645 -3.993 69 1HG ARG 7 HG2 ARG 7 -3.774 0.965 -5.445 70 2HG ARG 7 HG1 ARG 7 -4.717 -0.479 -5.817 71 1HD ARG 7 HD2 ARG 7 -6.133 0.100 -4.207 72 2HD ARG 7 HD1 ARG 7 -4.846 -0.179 -3.035 73 HE ARG 7 HE ARG 7 -4.620 2.085 -2.792 74 1HH1 ARG 7 HH11 ARG 7 -6.478 1.440 -5.675 75 2HH1 ARG 7 HH12 ARG 7 -6.899 3.101 -5.926 76 1HH2 ARG 7 HH21 ARG 7 -5.174 4.270 -3.120 77 2HH2 ARG 7 HH22 ARG 7 -6.159 4.708 -4.476 78 H LEU 8 HN LEU 8 -0.016 -1.553 -4.207 79 HA LEU 8 HA LEU 8 -0.211 -3.413 -2.100 80 1HB LEU 8 HB2 LEU 8 2.223 -2.632 -3.711 81 2HB LEU 8 HB1 LEU 8 2.069 -4.078 -2.731 82 HG LEU 8 HG LEU 8 0.114 -3.606 -4.943 83 1HD1 LEU 8 HD11 LEU 8 2.520 -5.172 -5.608 84 2HD1 LEU 8 HD12 LEU 8 2.728 -3.422 -5.543 85 3HD1 LEU 8 HD13 LEU 8 1.524 -4.128 -6.621 86 1HD2 LEU 8 HD21 LEU 8 -0.265 -5.865 -4.807 87 2HD2 LEU 8 HD22 LEU 8 0.142 -5.501 -3.130 88 3HD2 LEU 8 HD23 LEU 8 1.352 -6.212 -4.197 89 H GLU 9 HN GLU 9 1.541 -0.378 -2.454 90 HA GLU 9 HA GLU 9 3.053 -0.594 -0.069 91 1HB GLU 9 HB2 GLU 9 3.040 1.145 -2.165 92 2HB GLU 9 HB1 GLU 9 2.252 2.117 -0.930 93 1HG GLU 9 HG2 GLU 9 4.277 2.661 -0.220 94 2HG GLU 9 HG1 GLU 9 4.422 1.009 0.378 95 H LYS 10 HN LYS 10 -0.198 0.436 -0.792 96 HA LYS 10 HA LYS 10 -0.718 1.739 1.677 97 1HB LYS 10 HB2 LYS 10 -2.064 1.499 -0.692 98 2HB LYS 10 HB1 LYS 10 -2.998 0.431 0.346 99 1HG LYS 10 HG2 LYS 10 -2.781 2.568 1.961 100 2HG LYS 10 HG1 LYS 10 -2.735 3.363 0.386 101 1HD LYS 10 HD2 LYS 10 -4.874 2.746 -0.140 102 2HD LYS 10 HD1 LYS 10 -4.807 1.280 0.840 103 1HE LYS 10 HE2 LYS 10 -4.628 3.835 2.306 104 2HE LYS 10 HE1 LYS 10 -6.179 3.489 1.541 105 1HZ LYS 10 HZ1 LYS 10 -5.812 1.180 2.681 106 2HZ LYS 10 HZ2 LYS 10 -6.459 2.478 3.550 107 3HZ LYS 10 HZ3 LYS 10 -4.825 2.077 3.723 108 H LEU 11 HN LEU 11 -1.178 -1.563 0.487 109 HA LEU 11 HA LEU 11 -2.491 -2.556 2.780 110 1HB LEU 11 HB2 LEU 11 -2.440 -3.718 0.596 111 2HB LEU 11 HB1 LEU 11 -0.730 -4.037 0.821 112 HG LEU 11 HG LEU 11 -1.649 -5.166 3.067 113 1HD1 LEU 11 HD11 LEU 11 -3.908 -5.024 3.013 114 2HD1 LEU 11 HD12 LEU 11 -3.731 -6.487 2.045 115 3HD1 LEU 11 HD13 LEU 11 -3.973 -4.929 1.254 116 1HD2 LEU 11 HD21 LEU 11 -1.270 -7.225 2.049 117 2HD2 LEU 11 HD22 LEU 11 -0.326 -6.103 1.069 118 3HD2 LEU 11 HD23 LEU 11 -1.889 -6.679 0.491 119 H PHE 12 HN PHE 12 0.885 -2.092 1.961 120 HA PHE 12 HA PHE 12 1.972 -3.605 4.097 121 1HB PHE 12 HB2 PHE 12 3.187 -2.742 2.016 122 2HB PHE 12 HB1 PHE 12 3.274 -1.189 2.840 123 HD1 PHE 12 HD1 PHE 12 4.118 -4.783 3.327 124 HD2 PHE 12 HD2 PHE 12 5.071 -0.730 4.211 125 HE1 PHE 12 HE1 PHE 12 6.157 -5.520 4.490 126 HE2 PHE 12 HE2 PHE 12 7.111 -1.460 5.376 127 HZ PHE 12 HZ PHE 12 7.657 -3.858 5.516 128 H SER 13 HN SER 13 0.704 -0.370 3.808 129 HA SER 13 HA SER 13 1.760 0.615 6.255 130 1HB SER 13 HB2 SER 13 0.923 2.049 4.360 131 2HB SER 13 HB1 SER 13 -0.716 1.587 4.822 132 HG SER 13 HG SER 13 -0.261 2.489 6.903 133 H LYS 14 HN LYS 14 -0.815 -1.454 5.445 134 HA LYS 14 HA LYS 14 -2.339 -1.004 7.842 135 1HB LYS 14 HB2 LYS 14 -2.560 -2.769 5.468 136 2HB LYS 14 HB1 LYS 14 -3.326 -3.332 6.948 137 1HG LYS 14 HG2 LYS 14 -4.951 -1.775 6.860 138 2HG LYS 14 HG1 LYS 14 -3.881 -0.537 6.200 139 1HD LYS 14 HD2 LYS 14 -4.175 -1.263 4.019 140 2HD LYS 14 HD1 LYS 14 -4.670 -2.881 4.519 141 1HE LYS 14 HE2 LYS 14 -6.346 -0.501 5.213 142 2HE LYS 14 HE1 LYS 14 -6.447 -1.223 3.608 143 1HZ LYS 14 HZ1 LYS 14 -7.017 -2.533 6.207 144 2HZ LYS 14 HZ2 LYS 14 -6.896 -3.377 4.746 145 3HZ LYS 14 HZ3 LYS 14 -8.108 -2.216 4.952 146 H ILE 15 HN ILE 15 0.323 -2.906 6.898 147 HA ILE 15 HA ILE 15 0.027 -4.857 9.019 148 HB ILE 15 HB ILE 15 2.428 -4.410 7.247 149 1HG1 ILE 15 HG12 ILE 15 0.269 -6.461 6.789 150 2HG1 ILE 15 HG11 ILE 15 0.187 -4.858 6.066 151 1HG2 ILE 15 HG21 ILE 15 3.049 -6.645 7.834 152 2HG2 ILE 15 HG22 ILE 15 1.537 -6.889 8.708 153 3HG2 ILE 15 HG23 ILE 15 2.737 -5.752 9.323 154 1HD1 ILE 15 HD11 ILE 15 2.466 -5.339 5.083 155 2HD1 ILE 15 HD12 ILE 15 1.112 -6.263 4.432 156 3HD1 ILE 15 HD13 ILE 15 2.217 -7.011 5.586 157 H GLN 16 HN GLN 16 1.857 -1.939 8.353 158 HA GLN 16 HA GLN 16 2.992 -2.090 11.070 159 1HB GLN 16 HB2 GLN 16 4.404 -1.965 8.715 160 2HB GLN 16 HB1 GLN 16 4.335 -0.275 9.196 161 1HG GLN 16 HG2 GLN 16 5.489 -0.670 11.183 162 2HG GLN 16 HG1 GLN 16 5.189 -2.406 11.118 163 1HE2 GLN 16 HE21 GLN 16 6.409 -3.687 9.716 164 2HE2 GLN 16 HE22 GLN 16 7.907 -3.139 9.052 165 H ASN 17 HN ASN 17 0.411 -0.989 10.240 166 HA ASN 17 HA ASN 17 0.467 1.810 10.049 167 1HB ASN 17 HB2 ASN 17 -1.492 -0.078 9.950 168 2HB ASN 17 HB1 ASN 17 -1.810 0.648 11.522 169 1HD2 ASN 17 HD21 ASN 17 -3.808 1.067 10.082 170 2HD2 ASN 17 HD22 ASN 17 -3.840 2.610 9.306 171 H ASP 18 HN ASP 18 -0.921 3.003 11.953 172 HA ASP 18 HA ASP 18 0.873 2.884 14.255 173 1HB ASP 18 HB2 ASP 18 0.460 5.055 13.090 174 2HB ASP 18 HB1 ASP 18 -1.224 4.960 13.595 175 H LYS 19 HN LYS 19 -1.348 0.939 13.775 176 HA LYS 19 HA LYS 19 -3.037 1.521 16.107 177 1HB LYS 19 HB2 LYS 19 -3.524 0.273 13.541 178 2HB LYS 19 HB1 LYS 19 -3.998 -0.795 14.855 179 1HG LYS 19 HG2 LYS 19 -4.870 1.996 15.136 180 2HG LYS 19 HG1 LYS 19 -5.583 1.109 13.788 181 1HD LYS 19 HD2 LYS 19 -6.483 -0.539 15.220 182 2HD LYS 19 HD1 LYS 19 -5.497 -0.002 16.581 183 1HE LYS 19 HE2 LYS 19 -7.596 1.723 15.286 184 2HE LYS 19 HE1 LYS 19 -7.933 0.660 16.651 185 1HZ LYS 19 HZ1 LYS 19 -5.872 1.942 17.637 186 2HZ LYS 19 HZ2 LYS 19 -7.441 2.563 17.756 187 3HZ LYS 19 HZ3 LYS 19 -6.392 3.141 16.562 188 1HN NH2 20 NH1 NH2 20 -0.291 0.598 16.288 189 2HN NH2 20 NH2 NH2 20 -0.332 -0.922 17.109 Start of MODEL 7 1 1H ALA 1 HT1 ALA 1 -2.802 1.268 -16.316 2 2H ALA 1 HT2 ALA 1 -2.351 -0.250 -16.978 3 3H ALA 1 HT3 ALA 1 -2.181 1.180 -17.912 4 HA ALA 1 HA ALA 1 -0.076 0.796 -17.241 5 1HB ALA 1 HB1 ALA 1 0.285 2.405 -15.273 6 2HB ALA 1 HB2 ALA 1 -1.459 2.659 -15.343 7 3HB ALA 1 HB3 ALA 1 -0.455 3.042 -16.742 8 H LYS 2 HN LYS 2 1.421 -0.221 -15.947 9 HA LYS 2 HA LYS 2 0.301 -2.024 -13.940 10 1HB LYS 2 HB2 LYS 2 2.001 -2.551 -15.955 11 2HB LYS 2 HB1 LYS 2 3.167 -2.188 -14.691 12 1HG LYS 2 HG2 LYS 2 2.788 -4.544 -14.724 13 2HG LYS 2 HG1 LYS 2 2.064 -3.884 -13.256 14 1HD LYS 2 HD2 LYS 2 0.204 -3.913 -15.490 15 2HD LYS 2 HD1 LYS 2 0.822 -5.522 -15.112 16 1HE LYS 2 HE2 LYS 2 -0.234 -3.683 -12.985 17 2HE LYS 2 HE1 LYS 2 -1.295 -4.751 -13.903 18 1HZ LYS 2 HZ1 LYS 2 0.640 -5.389 -11.836 19 2HZ LYS 2 HZ2 LYS 2 0.595 -6.461 -13.144 20 3HZ LYS 2 HZ3 LYS 2 -0.806 -6.166 -12.244 21 H LYS 3 HN LYS 3 0.337 0.524 -13.025 22 HA LYS 3 HA LYS 3 2.627 0.559 -11.156 23 1HB LYS 3 HB2 LYS 3 2.273 3.009 -10.990 24 2HB LYS 3 HB1 LYS 3 2.719 2.496 -12.612 25 1HG LYS 3 HG2 LYS 3 0.224 2.508 -13.123 26 2HG LYS 3 HG1 LYS 3 0.041 3.396 -11.609 27 1HD LYS 3 HD2 LYS 3 2.040 4.799 -12.766 28 2HD LYS 3 HD1 LYS 3 1.157 4.261 -14.196 29 1HE LYS 3 HE2 LYS 3 0.391 6.456 -13.361 30 2HE LYS 3 HE1 LYS 3 -0.882 5.237 -13.359 31 1HZ LYS 3 HZ1 LYS 3 -0.443 6.780 -11.293 32 2HZ LYS 3 HZ2 LYS 3 0.680 5.575 -10.911 33 3HZ LYS 3 HZ3 LYS 3 -0.952 5.177 -11.104 34 H VAL 4 HN VAL 4 0.353 -0.974 -10.707 35 HA VAL 4 HA VAL 4 -1.421 0.375 -8.906 36 HB VAL 4 HB VAL 4 -2.127 -1.719 -9.974 37 1HG1 VAL 4 HG11 VAL 4 -0.972 -3.797 -8.682 38 2HG1 VAL 4 HG12 VAL 4 0.393 -2.689 -8.813 39 3HG1 VAL 4 HG13 VAL 4 -0.465 -3.207 -10.264 40 1HG2 VAL 4 HG21 VAL 4 -3.029 -1.053 -7.746 41 2HG2 VAL 4 HG22 VAL 4 -1.853 -2.137 -7.001 42 3HG2 VAL 4 HG23 VAL 4 -3.101 -2.787 -8.064 43 H PHE 5 HN PHE 5 1.739 -0.427 -8.868 44 HA PHE 5 HA PHE 5 2.490 -1.426 -6.483 45 1HB PHE 5 HB2 PHE 5 3.982 -0.817 -8.357 46 2HB PHE 5 HB1 PHE 5 3.751 0.880 -7.968 47 HD1 PHE 5 HD1 PHE 5 4.998 1.928 -6.256 48 HD2 PHE 5 HD2 PHE 5 5.182 -2.295 -6.742 49 HE1 PHE 5 HE1 PHE 5 6.906 1.837 -4.705 50 HE2 PHE 5 HE2 PHE 5 7.089 -2.395 -5.190 51 HZ PHE 5 HZ PHE 5 7.953 -0.327 -4.169 52 H LYS 6 HN LYS 6 1.101 1.630 -7.090 53 HA LYS 6 HA LYS 6 1.867 2.909 -4.668 54 1HB LYS 6 HB2 LYS 6 0.756 3.805 -6.963 55 2HB LYS 6 HB1 LYS 6 -0.681 3.710 -5.955 56 1HG LYS 6 HG2 LYS 6 1.740 5.067 -4.879 57 2HG LYS 6 HG1 LYS 6 0.744 5.902 -6.073 58 1HD LYS 6 HD2 LYS 6 -1.033 6.100 -4.656 59 2HD LYS 6 HD1 LYS 6 -0.642 4.616 -3.785 60 1HE LYS 6 HE2 LYS 6 1.465 6.038 -3.050 61 2HE LYS 6 HE1 LYS 6 0.376 7.382 -3.393 62 1HZ LYS 6 HZ1 LYS 6 -1.223 5.869 -1.938 63 2HZ LYS 6 HZ2 LYS 6 -0.190 7.019 -1.251 64 3HZ LYS 6 HZ3 LYS 6 0.256 5.388 -1.272 65 H ARG 7 HN ARG 7 -0.973 1.076 -5.704 66 HA ARG 7 HA ARG 7 -2.466 1.417 -3.334 67 1HB ARG 7 HB2 ARG 7 -2.536 -0.469 -5.639 68 2HB ARG 7 HB1 ARG 7 -3.397 -0.935 -4.177 69 1HG ARG 7 HG2 ARG 7 -3.825 1.587 -5.765 70 2HG ARG 7 HG1 ARG 7 -4.884 0.175 -5.732 71 1HD ARG 7 HD2 ARG 7 -4.891 0.614 -3.154 72 2HD ARG 7 HD1 ARG 7 -4.399 2.239 -3.629 73 HE ARG 7 HE ARG 7 -6.558 2.622 -4.224 74 1HH1 ARG 7 HH11 ARG 7 -5.992 -0.817 -4.398 75 2HH1 ARG 7 HH12 ARG 7 -7.628 -1.191 -4.822 76 1HH2 ARG 7 HH21 ARG 7 -8.711 2.131 -4.782 77 2HH2 ARG 7 HH22 ARG 7 -9.172 0.482 -5.040 78 H LEU 8 HN LEU 8 0.082 -0.783 -4.283 79 HA LEU 8 HA LEU 8 -0.211 -2.646 -2.180 80 1HB LEU 8 HB2 LEU 8 1.959 -1.913 -4.088 81 2HB LEU 8 HB1 LEU 8 2.384 -2.880 -2.688 82 HG LEU 8 HG LEU 8 0.155 -3.698 -4.531 83 1HD1 LEU 8 HD11 LEU 8 2.840 -4.909 -4.840 84 2HD1 LEU 8 HD12 LEU 8 2.578 -3.320 -5.558 85 3HD1 LEU 8 HD13 LEU 8 1.554 -4.678 -6.024 86 1HD2 LEU 8 HD21 LEU 8 1.976 -5.315 -2.754 87 2HD2 LEU 8 HD22 LEU 8 0.546 -5.880 -3.619 88 3HD2 LEU 8 HD23 LEU 8 0.376 -4.742 -2.283 89 H GLU 9 HN GLU 9 1.470 0.429 -2.469 90 HA GLU 9 HA GLU 9 2.927 0.233 -0.044 91 1HB GLU 9 HB2 GLU 9 2.105 2.531 -1.802 92 2HB GLU 9 HB1 GLU 9 2.916 2.815 -0.268 93 1HG GLU 9 HG2 GLU 9 4.850 1.622 -0.986 94 2HG GLU 9 HG1 GLU 9 4.031 1.065 -2.444 95 H LYS 10 HN LYS 10 -0.323 1.220 -0.853 96 HA LYS 10 HA LYS 10 -0.913 2.474 1.635 97 1HB LYS 10 HB2 LYS 10 -2.192 2.245 -0.804 98 2HB LYS 10 HB1 LYS 10 -3.191 1.258 0.254 99 1HG LYS 10 HG2 LYS 10 -4.070 3.042 1.243 100 2HG LYS 10 HG1 LYS 10 -2.488 3.786 1.481 101 1HD LYS 10 HD2 LYS 10 -2.667 4.253 -1.094 102 2HD LYS 10 HD1 LYS 10 -4.396 4.060 -0.797 103 1HE LYS 10 HE2 LYS 10 -4.343 5.814 0.866 104 2HE LYS 10 HE1 LYS 10 -2.593 5.957 0.702 105 1HZ LYS 10 HZ1 LYS 10 -2.779 7.128 -1.195 106 2HZ LYS 10 HZ2 LYS 10 -4.317 7.501 -0.599 107 3HZ LYS 10 HZ3 LYS 10 -4.130 6.270 -1.743 108 H LEU 11 HN LEU 11 -1.265 -0.792 0.353 109 HA LEU 11 HA LEU 11 -2.686 -1.839 2.574 110 1HB LEU 11 HB2 LEU 11 -1.229 -2.960 0.238 111 2HB LEU 11 HB1 LEU 11 -1.487 -4.030 1.603 112 HG LEU 11 HG LEU 11 -3.219 -4.219 -0.172 113 1HD1 LEU 11 HD11 LEU 11 -3.561 -4.667 2.330 114 2HD1 LEU 11 HD12 LEU 11 -4.992 -4.503 1.312 115 3HD1 LEU 11 HD13 LEU 11 -4.478 -3.160 2.333 116 1HD2 LEU 11 HD21 LEU 11 -3.117 -1.522 -0.310 117 2HD2 LEU 11 HD22 LEU 11 -4.548 -1.743 0.697 118 3HD2 LEU 11 HD23 LEU 11 -4.468 -2.492 -0.898 119 H PHE 12 HN PHE 12 0.701 -1.337 1.864 120 HA PHE 12 HA PHE 12 1.691 -2.948 4.001 121 1HB PHE 12 HB2 PHE 12 3.034 -2.244 1.994 122 2HB PHE 12 HB1 PHE 12 3.067 -0.613 2.655 123 HD1 PHE 12 HD1 PHE 12 3.576 -4.001 4.136 124 HD2 PHE 12 HD2 PHE 12 5.150 -0.107 3.458 125 HE1 PHE 12 HE1 PHE 12 5.569 -4.582 5.456 126 HE2 PHE 12 HE2 PHE 12 7.148 -0.680 4.775 127 HZ PHE 12 HZ PHE 12 7.359 -2.921 5.776 128 H SER 13 HN SER 13 0.445 0.273 3.719 129 HA SER 13 HA SER 13 1.546 1.240 6.167 130 1HB SER 13 HB2 SER 13 -0.926 2.358 4.871 131 2HB SER 13 HB1 SER 13 0.316 3.210 5.790 132 HG SER 13 HG SER 13 1.763 2.674 4.020 133 H LYS 14 HN LYS 14 -1.125 -0.708 5.316 134 HA LYS 14 HA LYS 14 -2.597 -0.205 7.740 135 1HB LYS 14 HB2 LYS 14 -4.244 -1.632 6.917 136 2HB LYS 14 HB1 LYS 14 -3.566 -0.929 5.457 137 1HG LYS 14 HG2 LYS 14 -3.284 -2.985 4.686 138 2HG LYS 14 HG1 LYS 14 -2.053 -3.228 5.926 139 1HD LYS 14 HD2 LYS 14 -3.656 -5.005 6.093 140 2HD LYS 14 HD1 LYS 14 -3.858 -3.942 7.487 141 1HE LYS 14 HE2 LYS 14 -6.037 -4.429 6.721 142 2HE LYS 14 HE1 LYS 14 -5.688 -2.788 6.180 143 1HZ LYS 14 HZ1 LYS 14 -4.837 -4.260 4.099 144 2HZ LYS 14 HZ2 LYS 14 -6.370 -3.554 4.208 145 3HZ LYS 14 HZ3 LYS 14 -6.156 -5.177 4.631 146 H ILE 15 HN ILE 15 -0.027 -2.196 6.769 147 HA ILE 15 HA ILE 15 -0.426 -4.198 8.826 148 HB ILE 15 HB ILE 15 2.021 -3.780 7.110 149 1HG1 ILE 15 HG12 ILE 15 -0.016 -4.063 5.727 150 2HG1 ILE 15 HG11 ILE 15 1.091 -5.424 5.576 151 1HG2 ILE 15 HG21 ILE 15 2.295 -6.239 7.551 152 2HG2 ILE 15 HG22 ILE 15 1.008 -6.092 8.748 153 3HG2 ILE 15 HG23 ILE 15 2.510 -5.191 8.954 154 1HD1 ILE 15 HD11 ILE 15 -0.719 -6.677 5.906 155 2HD1 ILE 15 HD12 ILE 15 -1.645 -5.330 6.567 156 3HD1 ILE 15 HD13 ILE 15 -0.543 -6.236 7.604 157 H GLN 16 HN GLN 16 1.342 -1.232 8.371 158 HA GLN 16 HA GLN 16 2.848 -1.675 10.846 159 1HB GLN 16 HB2 GLN 16 4.173 0.264 10.192 160 2HB GLN 16 HB1 GLN 16 4.121 -0.917 8.891 161 1HG GLN 16 HG2 GLN 16 2.308 0.435 7.839 162 2HG GLN 16 HG1 GLN 16 2.587 1.662 9.075 163 1HE2 GLN 16 HE21 GLN 16 5.182 1.924 9.301 164 2HE2 GLN 16 HE22 GLN 16 5.931 2.351 7.804 165 H ASN 17 HN ASN 17 -0.054 -0.342 9.906 166 HA ASN 17 HA ASN 17 0.030 1.849 11.835 167 1HB ASN 17 HB2 ASN 17 -0.982 2.220 9.594 168 2HB ASN 17 HB1 ASN 17 -2.213 1.022 9.981 169 1HD2 ASN 17 HD21 ASN 17 -3.987 1.667 11.002 170 2HD2 ASN 17 HD22 ASN 17 -4.225 3.228 11.703 171 H ASP 18 HN ASP 18 0.079 -1.008 12.638 172 HA ASP 18 HA ASP 18 -2.510 -1.328 13.952 173 1HB ASP 18 HB2 ASP 18 -1.428 -3.265 12.791 174 2HB ASP 18 HB1 ASP 18 -0.135 -3.200 13.985 175 H LYS 19 HN LYS 19 0.834 -0.602 14.643 176 HA LYS 19 HA LYS 19 0.456 -0.786 17.512 177 1HB LYS 19 HB2 LYS 19 2.622 -1.271 16.093 178 2HB LYS 19 HB1 LYS 19 2.867 0.463 16.256 179 1HG LYS 19 HG2 LYS 19 3.406 0.318 18.433 180 2HG LYS 19 HG1 LYS 19 2.226 -0.956 18.750 181 1HD LYS 19 HD2 LYS 19 3.999 -2.265 17.163 182 2HD LYS 19 HD1 LYS 19 5.066 -1.146 18.013 183 1HE LYS 19 HE2 LYS 19 4.951 -2.355 19.875 184 2HE LYS 19 HE1 LYS 19 3.188 -2.327 19.845 185 1HZ LYS 19 HZ1 LYS 19 4.560 -4.140 18.003 186 2HZ LYS 19 HZ2 LYS 19 3.082 -4.329 18.802 187 3HZ LYS 19 HZ3 LYS 19 4.532 -4.559 19.642 188 1HN NH2 20 NH1 NH2 20 1.090 1.740 15.117 189 2HN NH2 20 NH2 NH2 20 0.567 3.061 16.100 Start of MODEL 8 1 1H ALA 1 HT1 ALA 1 -2.260 1.818 -16.457 2 2H ALA 1 HT2 ALA 1 -3.819 1.241 -16.883 3 3H ALA 1 HT3 ALA 1 -2.432 0.273 -17.178 4 HA ALA 1 HA ALA 1 -3.146 1.160 -14.485 5 1HB ALA 1 HB1 ALA 1 -4.061 -1.351 -14.486 6 2HB ALA 1 HB2 ALA 1 -4.441 -0.911 -16.151 7 3HB ALA 1 HB3 ALA 1 -5.088 0.044 -14.817 8 H LYS 2 HN LYS 2 -0.615 0.815 -15.896 9 HA LYS 2 HA LYS 2 0.427 -1.667 -14.745 10 1HB LYS 2 HB2 LYS 2 2.426 -1.241 -16.083 11 2HB LYS 2 HB1 LYS 2 0.983 -1.199 -17.087 12 1HG LYS 2 HG2 LYS 2 1.757 1.410 -16.022 13 2HG LYS 2 HG1 LYS 2 2.963 0.675 -17.080 14 1HD LYS 2 HD2 LYS 2 1.287 0.394 -18.824 15 2HD LYS 2 HD1 LYS 2 0.049 1.067 -17.762 16 1HE LYS 2 HE2 LYS 2 1.922 3.026 -17.682 17 2HE LYS 2 HE1 LYS 2 2.149 2.414 -19.320 18 1HZ LYS 2 HZ1 LYS 2 0.355 4.257 -18.699 19 2HZ LYS 2 HZ2 LYS 2 -0.598 2.877 -18.483 20 3HZ LYS 2 HZ3 LYS 2 0.143 3.167 -19.976 21 H LYS 3 HN LYS 3 -0.269 0.080 -12.804 22 HA LYS 3 HA LYS 3 2.245 0.545 -11.488 23 1HB LYS 3 HB2 LYS 3 1.894 2.612 -12.919 24 2HB LYS 3 HB1 LYS 3 0.478 2.958 -11.937 25 1HG LYS 3 HG2 LYS 3 2.423 2.560 -10.050 26 2HG LYS 3 HG1 LYS 3 3.305 3.353 -11.356 27 1HD LYS 3 HD2 LYS 3 0.683 4.405 -10.330 28 2HD LYS 3 HD1 LYS 3 2.223 4.851 -9.593 29 1HE LYS 3 HE2 LYS 3 2.737 5.264 -12.236 30 2HE LYS 3 HE1 LYS 3 1.030 5.693 -12.137 31 1HZ LYS 3 HZ1 LYS 3 1.951 7.675 -11.589 32 2HZ LYS 3 HZ2 LYS 3 3.346 6.991 -10.920 33 3HZ LYS 3 HZ3 LYS 3 1.903 6.999 -10.038 34 H VAL 4 HN VAL 4 0.082 -1.111 -10.969 35 HA VAL 4 HA VAL 4 -1.597 -0.015 -8.934 36 HB VAL 4 HB VAL 4 -0.790 -2.911 -9.285 37 1HG1 VAL 4 HG11 VAL 4 -3.046 -3.286 -8.214 38 2HG1 VAL 4 HG12 VAL 4 -3.051 -1.566 -7.823 39 3HG1 VAL 4 HG13 VAL 4 -1.798 -2.617 -7.162 40 1HG2 VAL 4 HG21 VAL 4 -1.889 -1.608 -11.277 41 2HG2 VAL 4 HG22 VAL 4 -3.360 -1.813 -10.326 42 3HG2 VAL 4 HG23 VAL 4 -2.444 -3.226 -10.849 43 H PHE 5 HN PHE 5 1.605 -0.658 -9.207 44 HA PHE 5 HA PHE 5 2.564 -1.679 -6.889 45 1HB PHE 5 HB2 PHE 5 3.854 -1.005 -8.922 46 2HB PHE 5 HB1 PHE 5 3.697 0.668 -8.412 47 HD1 PHE 5 HD1 PHE 5 5.391 1.608 -7.164 48 HD2 PHE 5 HD2 PHE 5 4.903 -2.619 -7.125 49 HE1 PHE 5 HE1 PHE 5 7.435 1.389 -5.811 50 HE2 PHE 5 HE2 PHE 5 6.945 -2.846 -5.771 51 HZ PHE 5 HZ PHE 5 8.214 -0.840 -5.112 52 H LYS 6 HN LYS 6 1.065 1.338 -7.395 53 HA LYS 6 HA LYS 6 2.001 2.682 -5.077 54 1HB LYS 6 HB2 LYS 6 0.772 3.609 -7.203 55 2HB LYS 6 HB1 LYS 6 -0.684 3.253 -6.284 56 1HG LYS 6 HG2 LYS 6 0.003 4.736 -4.522 57 2HG LYS 6 HG1 LYS 6 1.560 5.005 -5.306 58 1HD LYS 6 HD2 LYS 6 -0.143 5.674 -7.306 59 2HD LYS 6 HD1 LYS 6 -1.083 6.158 -5.893 60 1HE LYS 6 HE2 LYS 6 1.607 7.012 -5.520 61 2HE LYS 6 HE1 LYS 6 1.083 7.512 -7.128 62 1HZ LYS 6 HZ1 LYS 6 -0.473 8.033 -4.656 63 2HZ LYS 6 HZ2 LYS 6 -0.761 8.662 -6.199 64 3HZ LYS 6 HZ3 LYS 6 0.611 9.142 -5.334 65 H ARG 7 HN ARG 7 -0.770 0.620 -5.782 66 HA ARG 7 HA ARG 7 -2.128 0.971 -3.341 67 1HB ARG 7 HB2 ARG 7 -2.125 -1.115 -5.478 68 2HB ARG 7 HB1 ARG 7 -2.889 -1.497 -3.940 69 1HG ARG 7 HG2 ARG 7 -4.223 0.634 -4.227 70 2HG ARG 7 HG1 ARG 7 -3.615 0.674 -5.883 71 1HD ARG 7 HD2 ARG 7 -4.832 -1.154 -6.520 72 2HD ARG 7 HD1 ARG 7 -4.833 -1.852 -4.901 73 HE ARG 7 HE ARG 7 -6.768 -0.712 -4.444 74 1HH1 ARG 7 HH11 ARG 7 -5.330 0.607 -7.338 75 2HH1 ARG 7 HH12 ARG 7 -6.698 1.599 -7.715 76 1HH2 ARG 7 HH21 ARG 7 -8.567 0.593 -4.939 77 2HH2 ARG 7 HH22 ARG 7 -8.535 1.592 -6.353 78 H LEU 8 HN LEU 8 0.556 -1.061 -4.309 79 HA LEU 8 HA LEU 8 0.585 -2.783 -2.081 80 1HB LEU 8 HB2 LEU 8 2.034 -2.553 -4.397 81 2HB LEU 8 HB1 LEU 8 3.209 -2.071 -3.189 82 HG LEU 8 HG LEU 8 2.306 -4.309 -2.020 83 1HD1 LEU 8 HD11 LEU 8 0.723 -4.929 -3.686 84 2HD1 LEU 8 HD12 LEU 8 2.092 -6.032 -3.822 85 3HD1 LEU 8 HD13 LEU 8 1.906 -4.711 -4.976 86 1HD2 LEU 8 HD21 LEU 8 4.512 -3.703 -3.889 87 2HD2 LEU 8 HD22 LEU 8 4.204 -5.408 -3.560 88 3HD2 LEU 8 HD23 LEU 8 4.558 -4.303 -2.232 89 H GLU 9 HN GLU 9 1.923 0.423 -2.637 90 HA GLU 9 HA GLU 9 3.501 0.536 -0.288 91 1HB GLU 9 HB2 GLU 9 2.226 2.836 -1.784 92 2HB GLU 9 HB1 GLU 9 3.585 2.939 -0.673 93 1HG GLU 9 HG2 GLU 9 4.999 1.748 -2.174 94 2HG GLU 9 HG1 GLU 9 3.642 1.363 -3.232 95 H LYS 10 HN LYS 10 0.132 1.182 -0.980 96 HA LYS 10 HA LYS 10 -0.472 2.495 1.462 97 1HB LYS 10 HB2 LYS 10 -2.026 1.264 -0.753 98 2HB LYS 10 HB1 LYS 10 -2.851 1.441 0.790 99 1HG LYS 10 HG2 LYS 10 -2.293 3.849 0.766 100 2HG LYS 10 HG1 LYS 10 -1.586 3.636 -0.836 101 1HD LYS 10 HD2 LYS 10 -3.714 2.970 -1.743 102 2HD LYS 10 HD1 LYS 10 -4.445 2.979 -0.137 103 1HE LYS 10 HE2 LYS 10 -3.194 5.441 -1.311 104 2HE LYS 10 HE1 LYS 10 -4.863 4.997 -1.667 105 1HZ LYS 10 HZ1 LYS 10 -3.699 6.020 0.789 106 2HZ LYS 10 HZ2 LYS 10 -4.857 4.803 0.983 107 3HZ LYS 10 HZ3 LYS 10 -5.256 6.225 0.159 108 H LEU 11 HN LEU 11 -0.475 -0.866 0.408 109 HA LEU 11 HA LEU 11 -1.696 -1.964 2.699 110 1HB LEU 11 HB2 LEU 11 -0.855 -2.959 0.313 111 2HB LEU 11 HB1 LEU 11 0.394 -3.576 1.378 112 HG LEU 11 HG LEU 11 -2.131 -4.071 2.608 113 1HD1 LEU 11 HD11 LEU 11 -2.736 -5.783 0.661 114 2HD1 LEU 11 HD12 LEU 11 -2.063 -4.482 -0.322 115 3HD1 LEU 11 HD13 LEU 11 -3.426 -4.163 0.751 116 1HD2 LEU 11 HD21 LEU 11 -0.278 -5.428 3.117 117 2HD2 LEU 11 HD22 LEU 11 0.042 -5.772 1.417 118 3HD2 LEU 11 HD23 LEU 11 -1.377 -6.462 2.205 119 H PHE 12 HN PHE 12 1.580 -0.968 1.980 120 HA PHE 12 HA PHE 12 2.863 -2.244 4.148 121 1HB PHE 12 HB2 PHE 12 4.025 -1.222 2.174 122 2HB PHE 12 HB1 PHE 12 3.651 0.366 2.834 123 HD1 PHE 12 HD1 PHE 12 4.605 1.003 5.070 124 HD2 PHE 12 HD2 PHE 12 5.883 -2.439 2.918 125 HE1 PHE 12 HE1 PHE 12 6.664 0.931 6.416 126 HE2 PHE 12 HE2 PHE 12 7.944 -2.518 4.261 127 HZ PHE 12 HZ PHE 12 8.336 -0.832 6.012 128 H SER 13 HN SER 13 1.162 0.818 3.821 129 HA SER 13 HA SER 13 1.896 1.834 6.366 130 1HB SER 13 HB2 SER 13 -0.038 2.566 4.246 131 2HB SER 13 HB1 SER 13 -0.436 3.114 5.875 132 HG SER 13 HG SER 13 1.677 4.053 5.951 133 H LYS 14 HN LYS 14 -0.274 -0.561 5.351 134 HA LYS 14 HA LYS 14 -1.996 -0.394 7.660 135 1HB LYS 14 HB2 LYS 14 -1.796 -2.589 5.595 136 2HB LYS 14 HB1 LYS 14 -3.097 -2.366 6.756 137 1HG LYS 14 HG2 LYS 14 -3.729 -0.282 5.679 138 2HG LYS 14 HG1 LYS 14 -2.394 -0.454 4.538 139 1HD LYS 14 HD2 LYS 14 -3.954 -1.420 3.232 140 2HD LYS 14 HD1 LYS 14 -3.641 -2.841 4.230 141 1HE LYS 14 HE2 LYS 14 -5.990 -2.578 4.172 142 2HE LYS 14 HE1 LYS 14 -5.470 -2.018 5.761 143 1HZ LYS 14 HZ1 LYS 14 -7.014 -0.450 4.947 144 2HZ LYS 14 HZ2 LYS 14 -6.267 -0.367 3.432 145 3HZ LYS 14 HZ3 LYS 14 -5.494 0.277 4.792 146 H ILE 15 HN ILE 15 0.980 -1.796 6.857 147 HA ILE 15 HA ILE 15 0.845 -3.925 8.816 148 HB ILE 15 HB ILE 15 3.277 -2.947 7.322 149 1HG1 ILE 15 HG12 ILE 15 1.565 -5.290 6.514 150 2HG1 ILE 15 HG11 ILE 15 1.248 -3.670 5.902 151 1HG2 ILE 15 HG21 ILE 15 3.664 -5.575 7.703 152 2HG2 ILE 15 HG22 ILE 15 2.686 -5.208 9.124 153 3HG2 ILE 15 HG23 ILE 15 4.196 -4.340 8.844 154 1HD1 ILE 15 HD11 ILE 15 3.544 -5.484 5.365 155 2HD1 ILE 15 HD12 ILE 15 3.767 -3.739 5.241 156 3HD1 ILE 15 HD13 ILE 15 2.558 -4.546 4.243 157 H GLN 16 HN GLN 16 2.081 -0.666 8.551 158 HA GLN 16 HA GLN 16 3.693 -0.806 10.923 159 1HB GLN 16 HB2 GLN 16 2.714 1.535 9.282 160 2HB GLN 16 HB1 GLN 16 3.801 1.687 10.656 161 1HG GLN 16 HG2 GLN 16 4.922 -0.261 8.973 162 2HG GLN 16 HG1 GLN 16 4.395 1.060 7.930 163 1HE2 GLN 16 HE21 GLN 16 5.199 3.182 8.370 164 2HE2 GLN 16 HE22 GLN 16 6.724 3.389 9.155 165 H ASN 17 HN ASN 17 0.404 0.069 10.152 166 HA ASN 17 HA ASN 17 -0.210 1.456 12.535 167 1HB ASN 17 HB2 ASN 17 -1.539 0.910 10.184 168 2HB ASN 17 HB1 ASN 17 -2.433 -0.051 11.359 169 1HD2 ASN 17 HD21 ASN 17 -2.913 1.184 13.441 170 2HD2 ASN 17 HD22 ASN 17 -3.500 2.797 13.241 171 H ASP 18 HN ASP 18 -0.031 0.621 14.505 172 HA ASP 18 HA ASP 18 -0.060 -2.166 15.047 173 1HB ASP 18 HB2 ASP 18 -0.125 -1.392 17.463 174 2HB ASP 18 HB1 ASP 18 1.226 -0.795 16.504 175 H LYS 19 HN LYS 19 -2.473 0.373 15.213 176 HA LYS 19 HA LYS 19 -4.414 -1.413 16.448 177 1HB LYS 19 HB2 LYS 19 -4.183 1.491 16.003 178 2HB LYS 19 HB1 LYS 19 -5.812 0.848 15.844 179 1HG LYS 19 HG2 LYS 19 -5.889 1.210 18.055 180 2HG LYS 19 HG1 LYS 19 -5.052 -0.342 18.138 181 1HD LYS 19 HD2 LYS 19 -3.057 0.608 18.696 182 2HD LYS 19 HD1 LYS 19 -3.387 2.088 17.792 183 1HE LYS 19 HE2 LYS 19 -5.287 2.193 19.744 184 2HE LYS 19 HE1 LYS 19 -3.948 1.418 20.590 185 1HZ LYS 19 HZ1 LYS 19 -3.854 4.015 19.154 186 2HZ LYS 19 HZ2 LYS 19 -2.519 3.259 19.866 187 3HZ LYS 19 HZ3 LYS 19 -3.802 3.790 20.831 188 1HN NH2 20 NH1 NH2 20 -6.595 -1.559 15.479 189 2HN NH2 20 NH2 NH2 20 -6.720 -1.735 13.765 Start of MODEL 9 1 1H ALA 1 HT1 ALA 1 1.529 -2.967 -13.131 2 2H ALA 1 HT2 ALA 1 0.434 -4.279 -13.293 3 3H ALA 1 HT3 ALA 1 -0.125 -2.756 -12.732 4 HA ALA 1 HA ALA 1 1.129 -3.074 -15.356 5 1HB ALA 1 HB1 ALA 1 -0.726 -4.673 -15.213 6 2HB ALA 1 HB2 ALA 1 -1.076 -3.356 -16.332 7 3HB ALA 1 HB3 ALA 1 -1.806 -3.366 -14.726 8 H LYS 2 HN LYS 2 -1.574 -1.515 -13.619 9 HA LYS 2 HA LYS 2 -0.941 0.987 -15.006 10 1HB LYS 2 HB2 LYS 2 -3.353 -0.274 -14.501 11 2HB LYS 2 HB1 LYS 2 -3.309 1.002 -13.293 12 1HG LYS 2 HG2 LYS 2 -2.839 2.624 -15.128 13 2HG LYS 2 HG1 LYS 2 -3.102 1.311 -16.278 14 1HD LYS 2 HD2 LYS 2 -5.369 0.996 -15.195 15 2HD LYS 2 HD1 LYS 2 -5.080 2.523 -14.358 16 1HE LYS 2 HE2 LYS 2 -4.592 3.436 -16.739 17 2HE LYS 2 HE1 LYS 2 -5.471 2.007 -17.280 18 1HZ LYS 2 HZ1 LYS 2 -7.400 2.711 -16.125 19 2HZ LYS 2 HZ2 LYS 2 -6.847 4.050 -16.999 20 3HZ LYS 2 HZ3 LYS 2 -6.571 3.956 -15.333 21 H LYS 3 HN LYS 3 0.966 0.567 -13.255 22 HA LYS 3 HA LYS 3 2.010 1.207 -11.315 23 1HB LYS 3 HB2 LYS 3 1.968 3.280 -12.574 24 2HB LYS 3 HB1 LYS 3 0.350 3.638 -11.998 25 1HG LYS 3 HG2 LYS 3 2.161 3.230 -9.792 26 2HG LYS 3 HG1 LYS 3 2.767 4.468 -10.892 27 1HD LYS 3 HD2 LYS 3 0.088 5.080 -10.672 28 2HD LYS 3 HD1 LYS 3 0.513 4.547 -9.045 29 1HE LYS 3 HE2 LYS 3 0.912 6.866 -9.071 30 2HE LYS 3 HE1 LYS 3 2.500 6.114 -9.207 31 1HZ LYS 3 HZ1 LYS 3 2.051 8.025 -10.749 32 2HZ LYS 3 HZ2 LYS 3 0.958 7.026 -11.566 33 3HZ LYS 3 HZ3 LYS 3 2.594 6.605 -11.493 34 H VAL 4 HN VAL 4 -0.205 -0.372 -10.797 35 HA VAL 4 HA VAL 4 -1.785 0.749 -8.685 36 HB VAL 4 HB VAL 4 -1.183 -2.181 -9.136 37 1HG1 VAL 4 HG11 VAL 4 -2.517 -2.523 -7.397 38 2HG1 VAL 4 HG12 VAL 4 -3.827 -1.689 -8.231 39 3HG1 VAL 4 HG13 VAL 4 -2.722 -0.783 -7.197 40 1HG2 VAL 4 HG21 VAL 4 -3.318 -0.463 -10.394 41 2HG2 VAL 4 HG22 VAL 4 -3.290 -2.225 -10.451 42 3HG2 VAL 4 HG23 VAL 4 -2.001 -1.297 -11.218 43 H PHE 5 HN PHE 5 1.365 -0.008 -9.060 44 HA PHE 5 HA PHE 5 2.333 -1.234 -6.850 45 1HB PHE 5 HB2 PHE 5 3.624 -0.481 -8.836 46 2HB PHE 5 HB1 PHE 5 3.499 1.171 -8.255 47 HD1 PHE 5 HD1 PHE 5 5.333 2.016 -7.173 48 HD2 PHE 5 HD2 PHE 5 4.563 -2.162 -6.941 49 HE1 PHE 5 HE1 PHE 5 7.391 1.715 -5.859 50 HE2 PHE 5 HE2 PHE 5 6.619 -2.472 -5.625 51 HZ PHE 5 HZ PHE 5 8.036 -0.532 -5.083 52 H LYS 6 HN LYS 6 0.919 1.856 -7.077 53 HA LYS 6 HA LYS 6 1.958 2.964 -4.673 54 1HB LYS 6 HB2 LYS 6 0.986 4.350 -6.480 55 2HB LYS 6 HB1 LYS 6 -0.594 3.656 -6.145 56 1HG LYS 6 HG2 LYS 6 -0.230 4.555 -3.754 57 2HG LYS 6 HG1 LYS 6 1.017 5.559 -4.496 58 1HD LYS 6 HD2 LYS 6 -0.489 6.901 -5.484 59 2HD LYS 6 HD1 LYS 6 -1.524 5.550 -5.950 60 1HE LYS 6 HE2 LYS 6 -1.895 5.570 -3.270 61 2HE LYS 6 HE1 LYS 6 -1.621 7.285 -3.573 62 1HZ LYS 6 HZ1 LYS 6 -3.848 7.174 -3.922 63 2HZ LYS 6 HZ2 LYS 6 -3.818 5.569 -4.456 64 3HZ LYS 6 HZ3 LYS 6 -3.333 6.814 -5.493 65 H ARG 7 HN ARG 7 -0.862 1.040 -5.506 66 HA ARG 7 HA ARG 7 -2.212 1.261 -3.042 67 1HB ARG 7 HB2 ARG 7 -2.242 -0.774 -5.253 68 2HB ARG 7 HB1 ARG 7 -3.147 -1.052 -3.770 69 1HG ARG 7 HG2 ARG 7 -3.652 1.589 -4.817 70 2HG ARG 7 HG1 ARG 7 -3.992 0.344 -6.020 71 1HD ARG 7 HD2 ARG 7 -5.923 0.972 -4.534 72 2HD ARG 7 HD1 ARG 7 -5.533 -0.746 -4.586 73 HE ARG 7 HE ARG 7 -5.033 -0.656 -2.360 74 1HH1 ARG 7 HH11 ARG 7 -5.040 2.594 -3.629 75 2HH1 ARG 7 HH12 ARG 7 -4.852 3.335 -2.075 76 1HH2 ARG 7 HH21 ARG 7 -4.787 0.316 -0.315 77 2HH2 ARG 7 HH22 ARG 7 -4.709 2.042 -0.193 78 H LEU 8 HN LEU 8 0.417 -0.769 -4.161 79 HA LEU 8 HA LEU 8 0.393 -2.645 -2.057 80 1HB LEU 8 HB2 LEU 8 1.667 -2.795 -4.240 81 2HB LEU 8 HB1 LEU 8 2.831 -1.682 -3.548 82 HG LEU 8 HG LEU 8 2.318 -3.988 -1.830 83 1HD1 LEU 8 HD11 LEU 8 3.562 -4.460 -4.535 84 2HD1 LEU 8 HD12 LEU 8 2.007 -5.091 -3.993 85 3HD1 LEU 8 HD13 LEU 8 3.495 -5.613 -3.202 86 1HD2 LEU 8 HD21 LEU 8 4.854 -4.060 -2.009 87 2HD2 LEU 8 HD22 LEU 8 4.145 -2.605 -1.310 88 3HD2 LEU 8 HD23 LEU 8 4.718 -2.592 -2.978 89 H GLU 9 HN GLU 9 1.946 0.507 -2.430 90 HA GLU 9 HA GLU 9 3.433 0.398 -0.020 91 1HB GLU 9 HB2 GLU 9 2.502 2.664 -1.774 92 2HB GLU 9 HB1 GLU 9 3.385 2.959 -0.282 93 1HG GLU 9 HG2 GLU 9 4.366 1.354 -2.632 94 2HG GLU 9 HG1 GLU 9 4.865 2.990 -2.206 95 H LYS 10 HN LYS 10 0.151 1.280 -0.811 96 HA LYS 10 HA LYS 10 -0.470 2.570 1.642 97 1HB LYS 10 HB2 LYS 10 -1.916 1.668 -0.741 98 2HB LYS 10 HB1 LYS 10 -2.860 1.521 0.735 99 1HG LYS 10 HG2 LYS 10 -3.263 3.653 -0.345 100 2HG LYS 10 HG1 LYS 10 -2.482 3.882 1.220 101 1HD LYS 10 HD2 LYS 10 -0.398 3.644 -0.639 102 2HD LYS 10 HD1 LYS 10 -1.600 4.687 -1.402 103 1HE LYS 10 HE2 LYS 10 -0.858 5.182 1.441 104 2HE LYS 10 HE1 LYS 10 0.261 5.678 0.171 105 1HZ LYS 10 HZ1 LYS 10 -1.141 7.278 -0.567 106 2HZ LYS 10 HZ2 LYS 10 -1.658 7.245 1.042 107 3HZ LYS 10 HZ3 LYS 10 -2.543 6.429 -0.146 108 H LEU 11 HN LEU 11 -0.553 -0.754 0.508 109 HA LEU 11 HA LEU 11 -1.976 -1.844 2.693 110 1HB LEU 11 HB2 LEU 11 -1.333 -2.877 0.381 111 2HB LEU 11 HB1 LEU 11 0.128 -3.377 1.210 112 HG LEU 11 HG LEU 11 -1.401 -4.485 2.927 113 1HD1 LEU 11 HD11 LEU 11 -3.408 -3.166 1.951 114 2HD1 LEU 11 HD12 LEU 11 -3.637 -4.836 2.469 115 3HD1 LEU 11 HD13 LEU 11 -3.454 -4.462 0.756 116 1HD2 LEU 11 HD21 LEU 11 -1.564 -5.598 0.135 117 2HD2 LEU 11 HD22 LEU 11 -1.537 -6.487 1.658 118 3HD2 LEU 11 HD23 LEU 11 -0.095 -5.631 1.112 119 H PHE 12 HN PHE 12 1.442 -1.192 2.123 120 HA PHE 12 HA PHE 12 2.406 -2.536 4.426 121 1HB PHE 12 HB2 PHE 12 3.773 -1.761 2.421 122 2HB PHE 12 HB1 PHE 12 3.699 -0.143 3.110 123 HD1 PHE 12 HD1 PHE 12 5.171 -3.455 3.362 124 HD2 PHE 12 HD2 PHE 12 4.850 0.366 5.207 125 HE1 PHE 12 HE1 PHE 12 7.133 -3.968 4.757 126 HE2 PHE 12 HE2 PHE 12 6.812 -0.139 6.605 127 HZ PHE 12 HZ PHE 12 7.955 -2.309 6.380 128 H SER 13 HN SER 13 1.107 0.656 3.838 129 HA SER 13 HA SER 13 1.878 1.736 6.363 130 1HB SER 13 HB2 SER 13 1.116 2.931 4.118 131 2HB SER 13 HB1 SER 13 -0.472 2.824 4.878 132 HG SER 13 HG SER 13 0.448 3.902 6.701 133 H LYS 14 HN LYS 14 -0.558 -0.375 5.323 134 HA LYS 14 HA LYS 14 -2.388 0.207 7.475 135 1HB LYS 14 HB2 LYS 14 -3.048 -0.647 5.159 136 2HB LYS 14 HB1 LYS 14 -2.453 -2.214 5.689 137 1HG LYS 14 HG2 LYS 14 -4.058 -2.014 7.635 138 2HG LYS 14 HG1 LYS 14 -4.767 -0.643 6.781 139 1HD LYS 14 HD2 LYS 14 -5.431 -1.995 4.961 140 2HD LYS 14 HD1 LYS 14 -4.423 -3.341 5.496 141 1HE LYS 14 HE2 LYS 14 -5.974 -3.086 7.658 142 2HE LYS 14 HE1 LYS 14 -7.088 -2.461 6.442 143 1HZ LYS 14 HZ1 LYS 14 -6.887 -4.493 5.209 144 2HZ LYS 14 HZ2 LYS 14 -7.299 -4.871 6.805 145 3HZ LYS 14 HZ3 LYS 14 -5.709 -5.085 6.269 146 H ILE 15 HN ILE 15 0.320 -1.786 6.917 147 HA ILE 15 HA ILE 15 -0.279 -3.650 9.053 148 HB ILE 15 HB ILE 15 2.317 -3.326 7.547 149 1HG1 ILE 15 HG12 ILE 15 0.135 -5.326 6.962 150 2HG1 ILE 15 HG11 ILE 15 0.254 -3.784 6.122 151 1HG2 ILE 15 HG21 ILE 15 2.423 -5.825 8.196 152 2HG2 ILE 15 HG22 ILE 15 1.213 -5.395 9.405 153 3HG2 ILE 15 HG23 ILE 15 2.792 -4.609 9.420 154 1HD1 ILE 15 HD11 ILE 15 2.369 -4.377 5.195 155 2HD1 ILE 15 HD12 ILE 15 1.245 -5.704 4.903 156 3HD1 ILE 15 HD13 ILE 15 2.450 -5.835 6.185 157 H GLN 16 HN GLN 16 1.557 -0.726 8.560 158 HA GLN 16 HA GLN 16 3.005 -0.978 11.052 159 1HB GLN 16 HB2 GLN 16 3.820 0.183 8.900 160 2HB GLN 16 HB1 GLN 16 2.798 1.525 9.396 161 1HG GLN 16 HG2 GLN 16 4.646 0.480 11.440 162 2HG GLN 16 HG1 GLN 16 5.384 1.291 10.059 163 1HE2 GLN 16 HE21 GLN 16 4.232 3.406 9.476 164 2HE2 GLN 16 HE22 GLN 16 3.869 4.451 10.803 165 H ASN 17 HN ASN 17 0.401 1.063 9.758 166 HA ASN 17 HA ASN 17 0.007 2.570 12.112 167 1HB ASN 17 HB2 ASN 17 -0.939 2.727 9.563 168 2HB ASN 17 HB1 ASN 17 -2.360 2.122 10.409 169 1HD2 ASN 17 HD21 ASN 17 -3.285 3.380 12.054 170 2HD2 ASN 17 HD22 ASN 17 -2.986 5.078 12.164 171 H ASP 18 HN ASP 18 -1.741 -0.246 10.811 172 HA ASP 18 HA ASP 18 -3.140 -0.547 13.358 173 1HB ASP 18 HB2 ASP 18 -3.546 -1.585 10.590 174 2HB ASP 18 HB1 ASP 18 -4.168 -2.540 11.933 175 H LYS 19 HN LYS 19 -0.449 -1.007 13.598 176 HA LYS 19 HA LYS 19 0.125 -3.817 13.343 177 1HB LYS 19 HB2 LYS 19 2.253 -3.266 14.422 178 2HB LYS 19 HB1 LYS 19 1.909 -2.162 13.098 179 1HG LYS 19 HG2 LYS 19 2.279 -0.484 14.491 180 2HG LYS 19 HG1 LYS 19 0.818 -0.951 15.364 181 1HD LYS 19 HD2 LYS 19 2.208 -2.528 16.706 182 2HD LYS 19 HD1 LYS 19 3.639 -1.868 15.911 183 1HE LYS 19 HE2 LYS 19 1.724 -0.007 17.239 184 2HE LYS 19 HE1 LYS 19 2.839 -0.942 18.234 185 1HZ LYS 19 HZ1 LYS 19 4.625 0.192 17.464 186 2HZ LYS 19 HZ2 LYS 19 3.470 1.409 17.249 187 3HZ LYS 19 HZ3 LYS 19 3.957 0.465 15.933 188 1HN NH2 20 NH1 NH2 20 -0.988 -1.656 15.831 189 2HN NH2 20 NH2 NH2 20 -1.158 -2.841 17.077 Start of MODEL 10 1 1H ALA 1 HT1 ALA 1 -4.140 -1.070 -15.203 2 2H ALA 1 HT2 ALA 1 -3.629 -0.078 -16.506 3 3H ALA 1 HT3 ALA 1 -5.049 0.320 -15.627 4 HA ALA 1 HA ALA 1 -2.975 1.612 -15.153 5 1HB ALA 1 HB1 ALA 1 -3.707 2.017 -12.994 6 2HB ALA 1 HB2 ALA 1 -4.133 0.328 -12.712 7 3HB ALA 1 HB3 ALA 1 -5.139 1.329 -13.759 8 H LYS 2 HN LYS 2 -0.874 1.142 -15.278 9 HA LYS 2 HA LYS 2 0.144 -1.259 -13.948 10 1HB LYS 2 HB2 LYS 2 0.694 -0.694 -16.374 11 2HB LYS 2 HB1 LYS 2 1.699 0.601 -15.739 12 1HG LYS 2 HG2 LYS 2 2.795 -1.282 -14.334 13 2HG LYS 2 HG1 LYS 2 2.070 -2.353 -15.535 14 1HD LYS 2 HD2 LYS 2 3.671 0.017 -16.410 15 2HD LYS 2 HD1 LYS 2 4.488 -1.459 -15.894 16 1HE LYS 2 HE2 LYS 2 4.283 -1.907 -18.120 17 2HE LYS 2 HE1 LYS 2 2.750 -2.567 -17.552 18 1HZ LYS 2 HZ1 LYS 2 3.016 0.217 -18.523 19 2HZ LYS 2 HZ2 LYS 2 1.598 -0.676 -18.293 20 3HZ LYS 2 HZ3 LYS 2 2.650 -1.071 -19.557 21 H LYS 3 HN LYS 3 -0.618 0.597 -12.138 22 HA LYS 3 HA LYS 3 1.915 1.265 -10.881 23 1HB LYS 3 HB2 LYS 3 0.928 3.252 -12.351 24 2HB LYS 3 HB1 LYS 3 -0.085 3.485 -10.933 25 1HG LYS 3 HG2 LYS 3 1.556 4.531 -9.883 26 2HG LYS 3 HG1 LYS 3 2.625 3.144 -10.099 27 1HD LYS 3 HD2 LYS 3 3.044 4.008 -12.445 28 2HD LYS 3 HD1 LYS 3 2.228 5.490 -11.943 29 1HE LYS 3 HE2 LYS 3 3.994 5.151 -9.912 30 2HE LYS 3 HE1 LYS 3 4.901 4.472 -11.262 31 1HZ LYS 3 HZ1 LYS 3 4.699 6.504 -12.454 32 2HZ LYS 3 HZ2 LYS 3 5.245 6.890 -10.901 33 3HZ LYS 3 HZ3 LYS 3 3.627 7.151 -11.316 34 H VAL 4 HN VAL 4 -0.018 -0.646 -10.302 35 HA VAL 4 HA VAL 4 -1.683 0.237 -8.144 36 HB VAL 4 HB VAL 4 -0.668 -2.563 -8.684 37 1HG1 VAL 4 HG11 VAL 4 -2.734 -1.416 -6.863 38 2HG1 VAL 4 HG12 VAL 4 -1.533 -2.670 -6.554 39 3HG1 VAL 4 HG13 VAL 4 -2.961 -3.036 -7.523 40 1HG2 VAL 4 HG21 VAL 4 -2.811 -0.961 -9.945 41 2HG2 VAL 4 HG22 VAL 4 -3.191 -2.642 -9.567 42 3HG2 VAL 4 HG23 VAL 4 -1.822 -2.260 -10.612 43 H PHE 5 HN PHE 5 1.530 -0.028 -8.616 44 HA PHE 5 HA PHE 5 2.738 -1.098 -6.440 45 1HB PHE 5 HB2 PHE 5 3.836 -0.173 -8.470 46 2HB PHE 5 HB1 PHE 5 3.502 1.446 -7.876 47 HD1 PHE 5 HD1 PHE 5 5.369 -1.664 -7.138 48 HD2 PHE 5 HD2 PHE 5 4.934 2.493 -6.334 49 HE1 PHE 5 HE1 PHE 5 7.493 -1.686 -5.896 50 HE2 PHE 5 HE2 PHE 5 7.058 2.479 -5.092 51 HZ PHE 5 HZ PHE 5 8.340 0.388 -4.871 52 H LYS 6 HN LYS 6 0.872 1.744 -6.604 53 HA LYS 6 HA LYS 6 1.836 2.988 -4.228 54 1HB LYS 6 HB2 LYS 6 0.369 3.924 -6.241 55 2HB LYS 6 HB1 LYS 6 -0.953 3.461 -5.179 56 1HG LYS 6 HG2 LYS 6 1.174 4.997 -3.875 57 2HG LYS 6 HG1 LYS 6 0.302 5.864 -5.140 58 1HD LYS 6 HD2 LYS 6 -1.745 4.681 -3.801 59 2HD LYS 6 HD1 LYS 6 -0.600 4.971 -2.489 60 1HE LYS 6 HE2 LYS 6 -0.424 7.346 -3.370 61 2HE LYS 6 HE1 LYS 6 -1.830 6.973 -4.367 62 1HZ LYS 6 HZ1 LYS 6 -2.560 8.014 -2.362 63 2HZ LYS 6 HZ2 LYS 6 -1.689 6.927 -1.403 64 3HZ LYS 6 HZ3 LYS 6 -3.019 6.386 -2.297 65 H ARG 7 HN ARG 7 -0.857 0.833 -4.996 66 HA ARG 7 HA ARG 7 -2.027 0.833 -2.430 67 1HB ARG 7 HB2 ARG 7 -2.176 -0.899 -4.841 68 2HB ARG 7 HB1 ARG 7 -2.705 -1.604 -3.319 69 1HG ARG 7 HG2 ARG 7 -4.377 0.061 -3.034 70 2HG ARG 7 HG1 ARG 7 -3.743 1.011 -4.379 71 1HD ARG 7 HD2 ARG 7 -5.764 -0.233 -5.003 72 2HD ARG 7 HD1 ARG 7 -4.359 -0.740 -5.940 73 HE ARG 7 HE ARG 7 -4.562 -2.825 -5.034 74 1HH1 ARG 7 HH11 ARG 7 -6.367 -0.579 -3.066 75 2HH1 ARG 7 HH12 ARG 7 -7.061 -1.814 -2.071 76 1HH2 ARG 7 HH21 ARG 7 -5.474 -4.452 -3.726 77 2HH2 ARG 7 HH22 ARG 7 -6.554 -4.014 -2.445 78 H LEU 8 HN LEU 8 0.680 -0.867 -3.833 79 HA LEU 8 HA LEU 8 0.951 -2.887 -1.881 80 1HB LEU 8 HB2 LEU 8 2.139 -2.468 -4.220 81 2HB LEU 8 HB1 LEU 8 3.358 -1.727 -3.201 82 HG LEU 8 HG LEU 8 3.115 -4.034 -1.886 83 1HD1 LEU 8 HD11 LEU 8 2.777 -5.040 -4.668 84 2HD1 LEU 8 HD12 LEU 8 1.344 -4.635 -3.723 85 3HD1 LEU 8 HD13 LEU 8 2.478 -5.849 -3.129 86 1HD2 LEU 8 HD21 LEU 8 4.791 -3.175 -4.175 87 2HD2 LEU 8 HD22 LEU 8 4.895 -4.864 -3.677 88 3HD2 LEU 8 HD23 LEU 8 5.249 -3.580 -2.520 89 H GLU 9 HN GLU 9 2.133 0.431 -2.100 90 HA GLU 9 HA GLU 9 3.811 0.300 0.188 91 1HB GLU 9 HB2 GLU 9 3.659 2.087 -1.735 92 2HB GLU 9 HB1 GLU 9 2.483 2.845 -0.670 93 1HG GLU 9 HG2 GLU 9 4.188 3.851 0.320 94 2HG GLU 9 HG1 GLU 9 4.619 2.279 0.993 95 H LYS 10 HN LYS 10 0.411 0.921 -0.316 96 HA LYS 10 HA LYS 10 -0.133 1.941 2.282 97 1HB LYS 10 HB2 LYS 10 -1.671 2.314 0.414 98 2HB LYS 10 HB1 LYS 10 -1.960 0.585 0.286 99 1HG LYS 10 HG2 LYS 10 -3.099 0.535 2.368 100 2HG LYS 10 HG1 LYS 10 -2.598 2.184 2.751 101 1HD LYS 10 HD2 LYS 10 -4.036 1.957 0.217 102 2HD LYS 10 HD1 LYS 10 -4.991 1.461 1.616 103 1HE LYS 10 HE2 LYS 10 -4.518 3.588 2.707 104 2HE LYS 10 HE1 LYS 10 -3.522 4.082 1.338 105 1HZ LYS 10 HZ1 LYS 10 -5.483 3.977 -0.074 106 2HZ LYS 10 HZ2 LYS 10 -5.729 5.046 1.212 107 3HZ LYS 10 HZ3 LYS 10 -6.436 3.510 1.243 108 H LEU 11 HN LEU 11 0.038 -1.254 0.860 109 HA LEU 11 HA LEU 11 -1.165 -2.680 2.981 110 1HB LEU 11 HB2 LEU 11 -0.301 -3.350 0.510 111 2HB LEU 11 HB1 LEU 11 1.017 -3.991 1.472 112 HG LEU 11 HG LEU 11 -1.033 -5.034 2.844 113 1HD1 LEU 11 HD11 LEU 11 -2.802 -4.136 1.530 114 2HD1 LEU 11 HD12 LEU 11 -2.694 -5.858 1.162 115 3HD1 LEU 11 HD13 LEU 11 -2.042 -4.672 0.031 116 1HD2 LEU 11 HD21 LEU 11 -0.330 -6.462 0.337 117 2HD2 LEU 11 HD22 LEU 11 -0.360 -7.042 2.002 118 3HD2 LEU 11 HD23 LEU 11 0.976 -6.035 1.443 119 H PHE 12 HN PHE 12 2.107 -1.534 2.394 120 HA PHE 12 HA PHE 12 3.368 -2.986 4.466 121 1HB PHE 12 HB2 PHE 12 4.555 -1.800 2.600 122 2HB PHE 12 HB1 PHE 12 4.167 -0.273 3.387 123 HD1 PHE 12 HD1 PHE 12 5.814 0.668 4.663 124 HD2 PHE 12 HD2 PHE 12 5.679 -3.568 4.285 125 HE1 PHE 12 HE1 PHE 12 7.854 0.486 6.025 126 HE2 PHE 12 HE2 PHE 12 7.719 -3.759 5.647 127 HZ PHE 12 HZ PHE 12 8.809 -1.730 6.519 128 H SER 13 HN SER 13 1.620 0.055 4.373 129 HA SER 13 HA SER 13 2.321 0.869 7.005 130 1HB SER 13 HB2 SER 13 -0.273 1.792 5.933 131 2HB SER 13 HB1 SER 13 1.077 2.727 6.576 132 HG SER 13 HG SER 13 2.156 2.118 4.521 133 H LYS 14 HN LYS 14 0.197 -1.453 5.753 134 HA LYS 14 HA LYS 14 -1.569 -1.494 8.035 135 1HB LYS 14 HB2 LYS 14 -1.346 -3.040 5.492 136 2HB LYS 14 HB1 LYS 14 -2.225 -3.758 6.835 137 1HG LYS 14 HG2 LYS 14 -3.295 -1.260 6.767 138 2HG LYS 14 HG1 LYS 14 -2.966 -1.554 5.058 139 1HD LYS 14 HD2 LYS 14 -4.372 -3.410 4.982 140 2HD LYS 14 HD1 LYS 14 -4.342 -3.624 6.733 141 1HE LYS 14 HE2 LYS 14 -5.665 -1.610 7.025 142 2HE LYS 14 HE1 LYS 14 -5.640 -1.317 5.287 143 1HZ LYS 14 HZ1 LYS 14 -6.821 -3.735 6.538 144 2HZ LYS 14 HZ2 LYS 14 -6.933 -3.267 4.917 145 3HZ LYS 14 HZ3 LYS 14 -7.713 -2.361 6.113 146 H ILE 15 HN ILE 15 1.445 -2.781 7.188 147 HA ILE 15 HA ILE 15 1.294 -5.075 8.950 148 HB ILE 15 HB ILE 15 3.744 -3.935 7.607 149 1HG1 ILE 15 HG12 ILE 15 1.833 -6.064 6.616 150 2HG1 ILE 15 HG11 ILE 15 2.020 -4.451 5.935 151 1HG2 ILE 15 HG21 ILE 15 3.259 -6.776 8.448 152 2HG2 ILE 15 HG22 ILE 15 3.951 -5.579 9.543 153 3HG2 ILE 15 HG23 ILE 15 4.786 -5.990 8.045 154 1HD1 ILE 15 HD11 ILE 15 3.475 -6.834 5.359 155 2HD1 ILE 15 HD12 ILE 15 4.580 -5.600 5.965 156 3HD1 ILE 15 HD13 ILE 15 3.556 -5.258 4.571 157 H GLN 16 HN GLN 16 2.474 -1.785 9.006 158 HA GLN 16 HA GLN 16 3.567 -2.234 11.702 159 1HB GLN 16 HB2 GLN 16 4.576 0.127 11.237 160 2HB GLN 16 HB1 GLN 16 5.316 -1.295 10.517 161 1HG GLN 16 HG2 GLN 16 4.743 -0.702 8.417 162 2HG GLN 16 HG1 GLN 16 3.226 0.040 8.921 163 1HE2 GLN 16 HE21 GLN 16 4.835 1.241 7.059 164 2HE2 GLN 16 HE22 GLN 16 5.523 2.678 7.726 165 H ASN 17 HN ASN 17 1.494 -0.098 9.791 166 HA ASN 17 HA ASN 17 0.580 1.233 12.226 167 1HB ASN 17 HB2 ASN 17 1.108 2.264 9.785 168 2HB ASN 17 HB1 ASN 17 -0.617 1.950 9.612 169 1HD2 ASN 17 HD21 ASN 17 1.072 4.435 9.896 170 2HD2 ASN 17 HD22 ASN 17 0.294 5.334 11.150 171 H ASP 18 HN ASP 18 -1.463 1.062 13.035 172 HA ASP 18 HA ASP 18 -3.067 -1.150 12.001 173 1HB ASP 18 HB2 ASP 18 -2.358 -0.488 14.553 174 2HB ASP 18 HB1 ASP 18 -3.970 0.214 14.451 175 H LYS 19 HN LYS 19 -2.964 1.566 10.749 176 HA LYS 19 HA LYS 19 -5.758 2.396 11.114 177 1HB LYS 19 HB2 LYS 19 -3.757 4.034 11.301 178 2HB LYS 19 HB1 LYS 19 -3.709 3.936 9.546 179 1HG LYS 19 HG2 LYS 19 -6.366 4.471 10.654 180 2HG LYS 19 HG1 LYS 19 -5.169 5.727 10.971 181 1HD LYS 19 HD2 LYS 19 -4.652 5.812 8.565 182 2HD LYS 19 HD1 LYS 19 -5.895 4.594 8.269 183 1HE LYS 19 HE2 LYS 19 -6.973 6.606 7.803 184 2HE LYS 19 HE1 LYS 19 -7.488 6.228 9.446 185 1HZ LYS 19 HZ1 LYS 19 -6.879 8.533 9.293 186 2HZ LYS 19 HZ2 LYS 19 -5.358 8.143 8.665 187 3HZ LYS 19 HZ3 LYS 19 -5.744 7.732 10.260 188 1HN NH2 20 NH1 NH2 20 -3.379 2.004 8.503 189 2HN NH2 20 NH2 NH2 20 -4.515 1.501 7.303 Start of MODEL 11 1 1H ALA 1 HT1 ALA 1 -3.663 -1.191 -15.806 2 2H ALA 1 HT2 ALA 1 -3.056 -0.185 -17.057 3 3H ALA 1 HT3 ALA 1 -4.525 0.217 -16.266 4 HA ALA 1 HA ALA 1 -2.454 1.464 -15.640 5 1HB ALA 1 HB1 ALA 1 -4.773 0.981 -14.363 6 2HB ALA 1 HB2 ALA 1 -3.493 2.006 -13.714 7 3HB ALA 1 HB3 ALA 1 -3.630 0.327 -13.190 8 H LYS 2 HN LYS 2 -0.363 0.938 -15.607 9 HA LYS 2 HA LYS 2 0.480 -1.481 -14.184 10 1HB LYS 2 HB2 LYS 2 1.200 -0.971 -16.587 11 2HB LYS 2 HB1 LYS 2 2.228 0.276 -15.897 12 1HG LYS 2 HG2 LYS 2 3.745 -1.201 -15.180 13 2HG LYS 2 HG1 LYS 2 2.518 -2.338 -14.621 14 1HD LYS 2 HD2 LYS 2 2.284 -2.430 -17.374 15 2HD LYS 2 HD1 LYS 2 4.023 -2.292 -17.110 16 1HE LYS 2 HE2 LYS 2 3.424 -4.620 -17.171 17 2HE LYS 2 HE1 LYS 2 3.888 -4.190 -15.525 18 1HZ LYS 2 HZ1 LYS 2 1.599 -4.102 -14.889 19 2HZ LYS 2 HZ2 LYS 2 1.874 -5.585 -15.655 20 3HZ LYS 2 HZ3 LYS 2 1.082 -4.340 -16.482 21 H LYS 3 HN LYS 3 -0.335 0.461 -12.484 22 HA LYS 3 HA LYS 3 2.137 1.081 -11.082 23 1HB LYS 3 HB2 LYS 3 1.644 3.427 -10.776 24 2HB LYS 3 HB1 LYS 3 1.689 3.081 -12.499 25 1HG LYS 3 HG2 LYS 3 -0.894 2.796 -12.208 26 2HG LYS 3 HG1 LYS 3 -0.629 3.778 -10.766 27 1HD LYS 3 HD2 LYS 3 -0.198 5.642 -11.961 28 2HD LYS 3 HD1 LYS 3 0.686 4.759 -13.207 29 1HE LYS 3 HE2 LYS 3 -1.475 3.951 -14.105 30 2HE LYS 3 HE1 LYS 3 -2.309 4.944 -12.910 31 1HZ LYS 3 HZ1 LYS 3 -2.298 6.398 -14.621 32 2HZ LYS 3 HZ2 LYS 3 -0.916 5.742 -15.342 33 3HZ LYS 3 HZ3 LYS 3 -0.765 6.777 -14.013 34 H VAL 4 HN VAL 4 0.128 -0.778 -10.582 35 HA VAL 4 HA VAL 4 -1.636 0.184 -8.539 36 HB VAL 4 HB VAL 4 -0.662 -2.654 -8.928 37 1HG1 VAL 4 HG11 VAL 4 -2.926 -3.154 -7.906 38 2HG1 VAL 4 HG12 VAL 4 -3.000 -1.446 -7.473 39 3HG1 VAL 4 HG13 VAL 4 -1.716 -2.465 -6.825 40 1HG2 VAL 4 HG21 VAL 4 -1.589 -1.945 -11.017 41 2HG2 VAL 4 HG22 VAL 4 -2.978 -1.214 -10.212 42 3HG2 VAL 4 HG23 VAL 4 -2.782 -2.967 -10.214 43 H PHE 5 HN PHE 5 1.592 -0.178 -8.823 44 HA PHE 5 HA PHE 5 2.642 -1.221 -6.553 45 1HB PHE 5 HB2 PHE 5 3.877 -0.374 -8.544 46 2HB PHE 5 HB1 PHE 5 3.563 1.265 -7.998 47 HD1 PHE 5 HD1 PHE 5 5.424 -1.824 -7.310 48 HD2 PHE 5 HD2 PHE 5 4.800 2.233 -6.188 49 HE1 PHE 5 HE1 PHE 5 7.474 -1.889 -5.949 50 HE2 PHE 5 HE2 PHE 5 6.849 2.177 -4.827 51 HZ PHE 5 HZ PHE 5 8.189 0.114 -4.706 52 H LYS 6 HN LYS 6 0.872 1.665 -6.909 53 HA LYS 6 HA LYS 6 1.725 2.963 -4.524 54 1HB LYS 6 HB2 LYS 6 0.646 4.160 -6.415 55 2HB LYS 6 HB1 LYS 6 -0.859 3.325 -6.056 56 1HG LYS 6 HG2 LYS 6 -1.197 4.506 -4.090 57 2HG LYS 6 HG1 LYS 6 0.502 4.967 -3.960 58 1HD LYS 6 HD2 LYS 6 0.272 6.724 -5.378 59 2HD LYS 6 HD1 LYS 6 -0.946 5.909 -6.362 60 1HE LYS 6 HE2 LYS 6 -1.477 6.961 -3.590 61 2HE LYS 6 HE1 LYS 6 -1.761 7.900 -5.055 62 1HZ LYS 6 HZ1 LYS 6 -3.030 5.295 -4.400 63 2HZ LYS 6 HZ2 LYS 6 -3.307 6.201 -5.802 64 3HZ LYS 6 HZ3 LYS 6 -3.777 6.810 -4.296 65 H ARG 7 HN ARG 7 -0.911 0.778 -5.361 66 HA ARG 7 HA ARG 7 -2.264 0.910 -2.887 67 1HB ARG 7 HB2 ARG 7 -2.153 -1.225 -5.017 68 2HB ARG 7 HB1 ARG 7 -3.165 -1.358 -3.585 69 1HG ARG 7 HG2 ARG 7 -3.432 1.129 -5.153 70 2HG ARG 7 HG1 ARG 7 -4.023 -0.352 -5.909 71 1HD ARG 7 HD2 ARG 7 -5.236 -0.769 -3.690 72 2HD ARG 7 HD1 ARG 7 -4.900 0.925 -3.337 73 HE ARG 7 HE ARG 7 -6.509 1.530 -4.852 74 1HH1 ARG 7 HH11 ARG 7 -5.735 -1.844 -5.301 75 2HH1 ARG 7 HH12 ARG 7 -7.032 -2.122 -6.414 76 1HH2 ARG 7 HH21 ARG 7 -8.215 1.166 -6.316 77 2HH2 ARG 7 HH22 ARG 7 -8.440 -0.413 -6.990 78 H LEU 8 HN LEU 8 0.485 -0.925 -4.039 79 HA LEU 8 HA LEU 8 0.603 -2.806 -1.936 80 1HB LEU 8 HB2 LEU 8 2.193 -2.065 -4.209 81 2HB LEU 8 HB1 LEU 8 3.236 -2.246 -2.812 82 HG LEU 8 HG LEU 8 1.993 -4.516 -2.495 83 1HD1 LEU 8 HD11 LEU 8 1.289 -5.517 -4.623 84 2HD1 LEU 8 HD12 LEU 8 1.497 -3.955 -5.415 85 3HD1 LEU 8 HD13 LEU 8 0.272 -4.152 -4.162 86 1HD2 LEU 8 HD21 LEU 8 3.730 -4.649 -4.874 87 2HD2 LEU 8 HD22 LEU 8 3.843 -5.499 -3.333 88 3HD2 LEU 8 HD23 LEU 8 4.405 -3.832 -3.464 89 H GLU 9 HN GLU 9 1.795 0.476 -2.307 90 HA GLU 9 HA GLU 9 3.443 0.492 0.002 91 1HB GLU 9 HB2 GLU 9 3.324 2.170 -1.996 92 2HB GLU 9 HB1 GLU 9 2.074 2.953 -1.039 93 1HG GLU 9 HG2 GLU 9 3.805 4.114 -0.216 94 2HG GLU 9 HG1 GLU 9 3.995 2.702 0.823 95 H LYS 10 HN LYS 10 0.036 1.043 -0.564 96 HA LYS 10 HA LYS 10 -0.534 2.176 1.984 97 1HB LYS 10 HB2 LYS 10 -2.446 0.657 0.203 98 2HB LYS 10 HB1 LYS 10 -2.853 1.849 1.429 99 1HG LYS 10 HG2 LYS 10 -1.588 3.533 0.045 100 2HG LYS 10 HG1 LYS 10 -1.525 2.310 -1.226 101 1HD LYS 10 HD2 LYS 10 -3.837 2.337 -1.533 102 2HD LYS 10 HD1 LYS 10 -4.131 3.083 0.039 103 1HE LYS 10 HE2 LYS 10 -2.592 4.969 -1.176 104 2HE LYS 10 HE1 LYS 10 -3.482 4.310 -2.549 105 1HZ LYS 10 HZ1 LYS 10 -5.008 5.803 -1.890 106 2HZ LYS 10 HZ2 LYS 10 -4.439 5.874 -0.299 107 3HZ LYS 10 HZ3 LYS 10 -5.446 4.603 -0.780 108 H LEU 11 HN LEU 11 -0.524 -1.091 0.665 109 HA LEU 11 HA LEU 11 -1.642 -2.365 2.930 110 1HB LEU 11 HB2 LEU 11 -0.932 -3.161 0.412 111 2HB LEU 11 HB1 LEU 11 0.325 -3.909 1.378 112 HG LEU 11 HG LEU 11 -2.637 -4.286 1.828 113 1HD1 LEU 11 HD11 LEU 11 -2.124 -6.610 0.995 114 2HD1 LEU 11 HD12 LEU 11 -0.595 -5.966 0.396 115 3HD1 LEU 11 HD13 LEU 11 -2.121 -5.337 -0.225 116 1HD2 LEU 11 HD21 LEU 11 -1.370 -4.553 3.866 117 2HD2 LEU 11 HD22 LEU 11 -0.221 -5.614 3.050 118 3HD2 LEU 11 HD23 LEU 11 -1.889 -6.135 3.284 119 H PHE 12 HN PHE 12 1.588 -1.329 2.082 120 HA PHE 12 HA PHE 12 2.974 -2.787 4.078 121 1HB PHE 12 HB2 PHE 12 4.098 -1.748 2.132 122 2HB PHE 12 HB1 PHE 12 3.725 -0.155 2.781 123 HD1 PHE 12 HD1 PHE 12 4.702 0.476 5.033 124 HD2 PHE 12 HD2 PHE 12 6.023 -2.889 2.787 125 HE1 PHE 12 HE1 PHE 12 6.798 0.444 6.321 126 HE2 PHE 12 HE2 PHE 12 8.121 -2.928 4.072 127 HZ PHE 12 HZ PHE 12 8.510 -1.261 5.842 128 H SER 13 HN SER 13 1.277 0.279 4.035 129 HA SER 13 HA SER 13 2.221 1.172 6.564 130 1HB SER 13 HB2 SER 13 -0.293 1.953 5.070 131 2HB SER 13 HB1 SER 13 0.402 2.826 6.436 132 HG SER 13 HG SER 13 1.818 2.334 4.033 133 H LYS 14 HN LYS 14 -0.044 -1.153 5.589 134 HA LYS 14 HA LYS 14 -1.600 -1.080 8.016 135 1HB LYS 14 HB2 LYS 14 -1.561 -3.013 5.699 136 2HB LYS 14 HB1 LYS 14 -2.642 -3.165 7.077 137 1HG LYS 14 HG2 LYS 14 -2.637 -0.570 5.659 138 2HG LYS 14 HG1 LYS 14 -3.341 -1.951 4.815 139 1HD LYS 14 HD2 LYS 14 -4.304 -2.038 7.466 140 2HD LYS 14 HD1 LYS 14 -4.449 -0.364 6.928 141 1HE LYS 14 HE2 LYS 14 -6.453 -1.765 6.452 142 2HE LYS 14 HE1 LYS 14 -5.740 -1.018 5.024 143 1HZ LYS 14 HZ1 LYS 14 -4.992 -3.014 4.238 144 2HZ LYS 14 HZ2 LYS 14 -6.403 -3.523 5.019 145 3HZ LYS 14 HZ3 LYS 14 -4.902 -3.730 5.769 146 H ILE 15 HN ILE 15 1.288 -2.494 6.935 147 HA ILE 15 HA ILE 15 1.254 -4.693 8.820 148 HB ILE 15 HB ILE 15 3.628 -3.729 7.232 149 1HG1 ILE 15 HG12 ILE 15 1.822 -4.095 5.654 150 2HG1 ILE 15 HG11 ILE 15 2.973 -5.421 5.533 151 1HG2 ILE 15 HG21 ILE 15 4.195 -6.193 7.391 152 2HG2 ILE 15 HG22 ILE 15 2.903 -6.312 8.586 153 3HG2 ILE 15 HG23 ILE 15 4.291 -5.268 8.889 154 1HD1 ILE 15 HD11 ILE 15 0.352 -5.501 7.009 155 2HD1 ILE 15 HD12 ILE 15 1.500 -6.831 6.858 156 3HD1 ILE 15 HD13 ILE 15 0.676 -6.211 5.428 157 H GLN 16 HN GLN 16 2.536 -1.450 8.584 158 HA GLN 16 HA GLN 16 4.143 -1.790 10.993 159 1HB GLN 16 HB2 GLN 16 4.604 -0.328 8.777 160 2HB GLN 16 HB1 GLN 16 3.820 0.892 9.772 161 1HG GLN 16 HG2 GLN 16 5.550 -0.028 11.567 162 2HG GLN 16 HG1 GLN 16 6.443 -0.433 10.102 163 1HE2 GLN 16 HE21 GLN 16 5.886 1.912 12.364 164 2HE2 GLN 16 HE22 GLN 16 6.471 3.286 11.495 165 H ASN 17 HN ASN 17 1.625 0.483 9.879 166 HA ASN 17 HA ASN 17 1.104 1.576 12.415 167 1HB ASN 17 HB2 ASN 17 0.265 2.085 9.833 168 2HB ASN 17 HB1 ASN 17 -1.209 1.529 10.620 169 1HD2 ASN 17 HD21 ASN 17 -1.892 2.634 12.547 170 2HD2 ASN 17 HD22 ASN 17 -1.491 4.300 12.767 171 H ASP 18 HN ASP 18 -0.870 1.348 13.692 172 HA ASP 18 HA ASP 18 -1.472 -1.442 14.137 173 1HB ASP 18 HB2 ASP 18 -1.357 0.854 15.746 174 2HB ASP 18 HB1 ASP 18 -3.052 0.377 15.741 175 H LYS 19 HN LYS 19 -3.692 1.339 14.111 176 HA LYS 19 HA LYS 19 -5.712 -0.359 12.853 177 1HB LYS 19 HB2 LYS 19 -5.758 2.068 14.556 178 2HB LYS 19 HB1 LYS 19 -7.037 1.931 13.356 179 1HG LYS 19 HG2 LYS 19 -7.686 -0.228 14.273 180 2HG LYS 19 HG1 LYS 19 -6.383 -0.125 15.458 181 1HD LYS 19 HD2 LYS 19 -7.444 1.503 16.685 182 2HD LYS 19 HD1 LYS 19 -8.358 2.101 15.299 183 1HE LYS 19 HE2 LYS 19 -8.872 -0.640 16.383 184 2HE LYS 19 HE1 LYS 19 -9.581 0.772 17.165 185 1HZ LYS 19 HZ1 LYS 19 -9.876 0.483 14.262 186 2HZ LYS 19 HZ2 LYS 19 -10.918 1.202 15.384 187 3HZ LYS 19 HZ3 LYS 19 -10.836 -0.483 15.267 188 1HN NH2 20 NH1 NH2 20 -7.126 0.678 11.209 189 2HN NH2 20 NH2 NH2 20 -6.380 1.668 10.006 Start of MODEL 12 1 1H ALA 1 HT1 ALA 1 0.957 -2.127 -15.907 2 2H ALA 1 HT2 ALA 1 -0.353 -2.714 -16.847 3 3H ALA 1 HT3 ALA 1 0.530 -3.786 -15.840 4 HA ALA 1 HA ALA 1 -1.672 -3.071 -15.014 5 1HB ALA 1 HB1 ALA 1 0.915 -2.985 -13.580 6 2HB ALA 1 HB2 ALA 1 -0.484 -4.032 -13.339 7 3HB ALA 1 HB3 ALA 1 -0.500 -2.381 -12.719 8 H LYS 2 HN LYS 2 -2.411 -1.375 -13.312 9 HA LYS 2 HA LYS 2 -2.076 1.252 -14.568 10 1HB LYS 2 HB2 LYS 2 -4.166 1.865 -13.457 11 2HB LYS 2 HB1 LYS 2 -4.369 0.404 -14.413 12 1HG LYS 2 HG2 LYS 2 -3.909 -0.826 -12.183 13 2HG LYS 2 HG1 LYS 2 -4.309 0.726 -11.445 14 1HD LYS 2 HD2 LYS 2 -6.157 -0.313 -13.518 15 2HD LYS 2 HD1 LYS 2 -6.145 -1.140 -11.959 16 1HE LYS 2 HE2 LYS 2 -6.457 1.097 -10.874 17 2HE LYS 2 HE1 LYS 2 -6.686 1.778 -12.484 18 1HZ LYS 2 HZ1 LYS 2 -8.713 0.823 -12.701 19 2HZ LYS 2 HZ2 LYS 2 -8.695 0.941 -11.014 20 3HZ LYS 2 HZ3 LYS 2 -8.323 -0.529 -11.762 21 H LYS 3 HN LYS 3 0.093 0.726 -13.167 22 HA LYS 3 HA LYS 3 1.385 1.175 -11.307 23 1HB LYS 3 HB2 LYS 3 1.484 3.536 -10.834 24 2HB LYS 3 HB1 LYS 3 1.206 3.318 -12.555 25 1HG LYS 3 HG2 LYS 3 -1.232 3.716 -12.110 26 2HG LYS 3 HG1 LYS 3 -0.779 4.172 -10.467 27 1HD LYS 3 HD2 LYS 3 -0.635 6.240 -11.352 28 2HD LYS 3 HD1 LYS 3 0.947 5.683 -11.902 29 1HE LYS 3 HE2 LYS 3 0.034 6.531 -13.847 30 2HE LYS 3 HE1 LYS 3 -0.367 4.818 -13.969 31 1HZ LYS 3 HZ1 LYS 3 -2.577 5.300 -13.150 32 2HZ LYS 3 HZ2 LYS 3 -2.253 6.239 -14.519 33 3HZ LYS 3 HZ3 LYS 3 -2.196 6.940 -12.981 34 H VAL 4 HN VAL 4 -0.844 -0.273 -10.530 35 HA VAL 4 HA VAL 4 -2.085 0.890 -8.232 36 HB VAL 4 HB VAL 4 -1.654 -2.064 -8.699 37 1HG1 VAL 4 HG11 VAL 4 -4.162 -1.092 -7.533 38 2HG1 VAL 4 HG12 VAL 4 -2.728 -0.781 -6.557 39 3HG1 VAL 4 HG13 VAL 4 -3.123 -2.429 -7.042 40 1HG2 VAL 4 HG21 VAL 4 -3.857 -2.055 -9.836 41 2HG2 VAL 4 HG22 VAL 4 -2.607 -1.188 -10.728 42 3HG2 VAL 4 HG23 VAL 4 -3.821 -0.292 -9.816 43 H PHE 5 HN PHE 5 0.949 -0.080 -9.003 44 HA PHE 5 HA PHE 5 2.107 -1.322 -6.894 45 1HB PHE 5 HB2 PHE 5 3.147 -0.701 -9.083 46 2HB PHE 5 HB1 PHE 5 3.287 0.948 -8.494 47 HD1 PHE 5 HD1 PHE 5 5.540 1.376 -8.226 48 HD2 PHE 5 HD2 PHE 5 3.951 -2.304 -6.800 49 HE1 PHE 5 HE1 PHE 5 7.718 0.831 -7.217 50 HE2 PHE 5 HE2 PHE 5 6.124 -2.856 -5.788 51 HZ PHE 5 HZ PHE 5 8.011 -1.287 -5.995 52 H LYS 6 HN LYS 6 0.931 1.872 -7.043 53 HA LYS 6 HA LYS 6 2.387 2.925 -4.831 54 1HB LYS 6 HB2 LYS 6 0.939 4.099 -6.756 55 2HB LYS 6 HB1 LYS 6 -0.294 4.030 -5.505 56 1HG LYS 6 HG2 LYS 6 0.608 5.730 -4.401 57 2HG LYS 6 HG1 LYS 6 2.217 5.009 -4.461 58 1HD LYS 6 HD2 LYS 6 2.315 5.815 -6.874 59 2HD LYS 6 HD1 LYS 6 0.887 6.780 -6.497 60 1HE LYS 6 HE2 LYS 6 2.066 8.277 -5.312 61 2HE LYS 6 HE1 LYS 6 3.051 7.034 -4.543 62 1HZ LYS 6 HZ1 LYS 6 4.620 7.140 -6.163 63 2HZ LYS 6 HZ2 LYS 6 4.066 8.736 -6.248 64 3HZ LYS 6 HZ3 LYS 6 3.528 7.594 -7.374 65 H ARG 7 HN ARG 7 -0.788 1.431 -5.234 66 HA ARG 7 HA ARG 7 -1.667 1.786 -2.580 67 1HB ARG 7 HB2 ARG 7 -2.392 -0.109 -4.788 68 2HB ARG 7 HB1 ARG 7 -3.049 -0.353 -3.176 69 1HG ARG 7 HG2 ARG 7 -4.431 1.422 -3.320 70 2HG ARG 7 HG1 ARG 7 -3.286 2.374 -4.267 71 1HD ARG 7 HD2 ARG 7 -5.119 1.903 -5.694 72 2HD ARG 7 HD1 ARG 7 -3.797 0.855 -6.207 73 HE ARG 7 HE ARG 7 -5.318 -0.579 -4.380 74 1HH1 ARG 7 HH11 ARG 7 -5.731 0.849 -7.537 75 2HH1 ARG 7 HH12 ARG 7 -6.917 -0.308 -8.043 76 1HH2 ARG 7 HH21 ARG 7 -6.875 -2.102 -5.043 77 2HH2 ARG 7 HH22 ARG 7 -7.567 -1.983 -6.626 78 H LEU 8 HN LEU 8 0.498 -0.482 -4.093 79 HA LEU 8 HA LEU 8 0.490 -2.475 -2.099 80 1HB LEU 8 HB2 LEU 8 1.486 -2.568 -4.456 81 2HB LEU 8 HB1 LEU 8 2.872 -1.732 -3.783 82 HG LEU 8 HG LEU 8 2.985 -3.669 -2.093 83 1HD1 LEU 8 HD11 LEU 8 2.092 -5.776 -3.479 84 2HD1 LEU 8 HD12 LEU 8 0.872 -4.588 -3.940 85 3HD1 LEU 8 HD13 LEU 8 1.138 -4.963 -2.238 86 1HD2 LEU 8 HD21 LEU 8 3.777 -3.609 -4.938 87 2HD2 LEU 8 HD22 LEU 8 3.921 -5.159 -4.110 88 3HD2 LEU 8 HD23 LEU 8 4.766 -3.744 -3.484 89 H GLU 9 HN GLU 9 2.317 0.524 -2.490 90 HA GLU 9 HA GLU 9 4.060 0.068 -0.286 91 1HB GLU 9 HB2 GLU 9 4.460 1.713 -2.153 92 2HB GLU 9 HB1 GLU 9 3.224 2.737 -1.436 93 1HG GLU 9 HG2 GLU 9 4.939 2.176 0.665 94 2HG GLU 9 HG1 GLU 9 6.006 2.407 -0.720 95 H LYS 10 HN LYS 10 0.876 1.469 -0.652 96 HA LYS 10 HA LYS 10 0.734 2.600 1.959 97 1HB LYS 10 HB2 LYS 10 -0.986 2.360 -0.348 98 2HB LYS 10 HB1 LYS 10 -1.880 1.966 1.115 99 1HG LYS 10 HG2 LYS 10 -0.329 4.297 1.614 100 2HG LYS 10 HG1 LYS 10 -1.197 4.514 0.093 101 1HD LYS 10 HD2 LYS 10 -3.295 3.909 1.219 102 2HD LYS 10 HD1 LYS 10 -2.417 3.721 2.739 103 1HE LYS 10 HE2 LYS 10 -1.710 6.109 2.530 104 2HE LYS 10 HE1 LYS 10 -2.784 6.249 1.140 105 1HZ LYS 10 HZ1 LYS 10 -3.708 5.389 3.822 106 2HZ LYS 10 HZ2 LYS 10 -4.660 5.834 2.497 107 3HZ LYS 10 HZ3 LYS 10 -3.739 7.000 3.305 108 H LEU 11 HN LEU 11 0.156 -0.550 0.588 109 HA LEU 11 HA LEU 11 -1.328 -1.639 2.740 110 1HB LEU 11 HB2 LEU 11 -0.637 -2.502 0.251 111 2HB LEU 11 HB1 LEU 11 0.439 -3.464 1.245 112 HG LEU 11 HG LEU 11 -2.455 -3.375 1.963 113 1HD1 LEU 11 HD11 LEU 11 -1.454 -5.334 -0.067 114 2HD1 LEU 11 HD12 LEU 11 -2.133 -3.783 -0.560 115 3HD1 LEU 11 HD13 LEU 11 -3.114 -4.922 0.362 116 1HD2 LEU 11 HD21 LEU 11 -0.280 -5.458 2.108 117 2HD2 LEU 11 HD22 LEU 11 -1.952 -5.715 2.607 118 3HD2 LEU 11 HD23 LEU 11 -0.954 -4.528 3.447 119 H PHE 12 HN PHE 12 2.098 -1.245 2.089 120 HA PHE 12 HA PHE 12 3.063 -2.951 4.125 121 1HB PHE 12 HB2 PHE 12 4.373 -1.908 2.187 122 2HB PHE 12 HB1 PHE 12 4.450 -0.447 3.167 123 HD1 PHE 12 HD1 PHE 12 5.487 -0.645 5.495 124 HD2 PHE 12 HD2 PHE 12 5.933 -3.603 2.469 125 HE1 PHE 12 HE1 PHE 12 7.471 -1.526 6.654 126 HE2 PHE 12 HE2 PHE 12 7.917 -4.490 3.623 127 HZ PHE 12 HZ PHE 12 8.688 -3.451 5.718 128 H SER 13 HN SER 13 2.038 0.413 4.086 129 HA SER 13 HA SER 13 2.927 1.009 6.720 130 1HB SER 13 HB2 SER 13 0.803 2.343 5.025 131 2HB SER 13 HB1 SER 13 1.451 2.999 6.528 132 HG SER 13 HG SER 13 3.565 2.817 5.413 133 H LYS 14 HN LYS 14 0.334 -0.770 5.476 134 HA LYS 14 HA LYS 14 -1.382 -0.437 7.774 135 1HB LYS 14 HB2 LYS 14 -2.290 -0.819 5.480 136 2HB LYS 14 HB1 LYS 14 -1.600 -2.436 5.520 137 1HG LYS 14 HG2 LYS 14 -3.042 -3.079 7.316 138 2HG LYS 14 HG1 LYS 14 -3.629 -1.424 7.498 139 1HD LYS 14 HD2 LYS 14 -3.917 -2.691 4.831 140 2HD LYS 14 HD1 LYS 14 -4.966 -3.275 6.124 141 1HE LYS 14 HE2 LYS 14 -5.932 -1.155 6.442 142 2HE LYS 14 HE1 LYS 14 -4.661 -0.348 5.524 143 1HZ LYS 14 HZ1 LYS 14 -5.538 -1.769 3.586 144 2HZ LYS 14 HZ2 LYS 14 -6.420 -0.403 4.051 145 3HZ LYS 14 HZ3 LYS 14 -6.932 -1.942 4.530 146 H ILE 15 HN ILE 15 1.247 -2.370 6.864 147 HA ILE 15 HA ILE 15 0.608 -4.587 8.615 148 HB ILE 15 HB ILE 15 3.236 -4.012 7.244 149 1HG1 ILE 15 HG12 ILE 15 1.112 -5.880 6.213 150 2HG1 ILE 15 HG11 ILE 15 1.135 -4.181 5.751 151 1HG2 ILE 15 HG21 ILE 15 2.147 -6.242 8.838 152 2HG2 ILE 15 HG22 ILE 15 3.810 -5.690 8.640 153 3HG2 ILE 15 HG23 ILE 15 3.058 -6.688 7.395 154 1HD1 ILE 15 HD11 ILE 15 3.600 -4.676 5.094 155 2HD1 ILE 15 HD12 ILE 15 2.284 -5.165 4.027 156 3HD1 ILE 15 HD13 ILE 15 3.057 -6.353 5.076 157 H GLN 16 HN GLN 16 2.490 -1.644 8.679 158 HA GLN 16 HA GLN 16 4.074 -2.278 10.948 159 1HB GLN 16 HB2 GLN 16 3.776 -0.090 9.155 160 2HB GLN 16 HB1 GLN 16 3.617 0.539 10.789 161 1HG GLN 16 HG2 GLN 16 5.876 -1.282 10.071 162 2HG GLN 16 HG1 GLN 16 5.947 0.440 9.697 163 1HE2 GLN 16 HE21 GLN 16 6.571 1.800 11.236 164 2HE2 GLN 16 HE22 GLN 16 6.789 1.396 12.902 165 H ASN 17 HN ASN 17 1.346 0.012 10.687 166 HA ASN 17 HA ASN 17 0.872 -0.294 13.554 167 1HB ASN 17 HB2 ASN 17 0.827 1.918 11.922 168 2HB ASN 17 HB1 ASN 17 -0.885 1.535 12.076 169 1HD2 ASN 17 HD21 ASN 17 1.755 3.031 13.491 170 2HD2 ASN 17 HD22 ASN 17 1.080 3.322 15.054 171 H ASP 18 HN ASP 18 -1.628 -0.070 14.071 172 HA ASP 18 HA ASP 18 -2.869 -2.386 12.805 173 1HB ASP 18 HB2 ASP 18 -2.684 -1.718 15.413 174 2HB ASP 18 HB1 ASP 18 -4.245 -0.998 15.032 175 H LYS 19 HN LYS 19 -3.995 0.824 13.888 176 HA LYS 19 HA LYS 19 -6.205 0.725 12.025 177 1HB LYS 19 HB2 LYS 19 -5.648 2.076 14.449 178 2HB LYS 19 HB1 LYS 19 -5.871 3.314 13.220 179 1HG LYS 19 HG2 LYS 19 -8.058 3.087 13.437 180 2HG LYS 19 HG1 LYS 19 -7.925 1.436 12.830 181 1HD LYS 19 HD2 LYS 19 -8.085 0.518 14.902 182 2HD LYS 19 HD1 LYS 19 -7.243 1.861 15.678 183 1HE LYS 19 HE2 LYS 19 -9.291 3.247 15.325 184 2HE LYS 19 HE1 LYS 19 -10.110 1.795 14.751 185 1HZ LYS 19 HZ1 LYS 19 -10.275 0.961 16.822 186 2HZ LYS 19 HZ2 LYS 19 -10.150 2.584 17.280 187 3HZ LYS 19 HZ3 LYS 19 -8.786 1.585 17.331 188 1HN NH2 20 NH1 NH2 20 -3.301 2.690 12.488 189 2HN NH2 20 NH2 NH2 20 -3.262 3.342 10.889 Start of MODEL 13 1 1H ALA 1 HT1 ALA 1 -1.354 -0.274 -18.260 2 2H ALA 1 HT2 ALA 1 0.087 -1.069 -17.773 3 3H ALA 1 HT3 ALA 1 0.164 0.282 -18.829 4 HA ALA 1 HA ALA 1 0.759 1.164 -16.850 5 1HB ALA 1 HB1 ALA 1 -2.127 1.545 -17.479 6 2HB ALA 1 HB2 ALA 1 -0.785 2.683 -17.599 7 3HB ALA 1 HB3 ALA 1 -1.465 2.284 -16.021 8 H LYS 2 HN LYS 2 1.359 -0.791 -15.647 9 HA LYS 2 HA LYS 2 -0.619 -1.636 -13.656 10 1HB LYS 2 HB2 LYS 2 0.981 -3.181 -15.135 11 2HB LYS 2 HB1 LYS 2 2.075 -2.890 -13.789 12 1HG LYS 2 HG2 LYS 2 -0.706 -3.755 -13.192 13 2HG LYS 2 HG1 LYS 2 0.442 -4.946 -13.809 14 1HD LYS 2 HD2 LYS 2 2.017 -4.084 -11.974 15 2HD LYS 2 HD1 LYS 2 0.577 -3.340 -11.276 16 1HE LYS 2 HE2 LYS 2 0.938 -6.274 -11.880 17 2HE LYS 2 HE1 LYS 2 1.027 -5.530 -10.283 18 1HZ LYS 2 HZ1 LYS 2 -1.359 -4.683 -11.086 19 2HZ LYS 2 HZ2 LYS 2 -1.128 -6.121 -10.225 20 3HZ LYS 2 HZ3 LYS 2 -1.296 -6.161 -11.908 21 H LYS 3 HN LYS 3 0.055 0.846 -13.092 22 HA LYS 3 HA LYS 3 2.274 0.782 -11.163 23 1HB LYS 3 HB2 LYS 3 1.842 3.284 -11.065 24 2HB LYS 3 HB1 LYS 3 2.441 2.667 -12.598 25 1HG LYS 3 HG2 LYS 3 0.639 3.368 -13.694 26 2HG LYS 3 HG1 LYS 3 -0.456 2.686 -12.490 27 1HD LYS 3 HD2 LYS 3 -0.160 4.636 -11.077 28 2HD LYS 3 HD1 LYS 3 1.016 5.306 -12.209 29 1HE LYS 3 HE2 LYS 3 -0.575 6.035 -13.623 30 2HE LYS 3 HE1 LYS 3 -1.574 4.600 -13.396 31 1HZ LYS 3 HZ1 LYS 3 -2.886 6.096 -12.359 32 2HZ LYS 3 HZ2 LYS 3 -1.611 7.134 -11.962 33 3HZ LYS 3 HZ3 LYS 3 -1.888 5.745 -11.038 34 H VAL 4 HN VAL 4 -0.032 -0.658 -10.548 35 HA VAL 4 HA VAL 4 -1.637 0.829 -8.688 36 HB VAL 4 HB VAL 4 -2.517 -1.240 -9.684 37 1HG1 VAL 4 HG11 VAL 4 -0.037 -2.266 -9.362 38 2HG1 VAL 4 HG12 VAL 4 -1.479 -3.237 -9.656 39 3HG1 VAL 4 HG13 VAL 4 -0.881 -3.022 -8.011 40 1HG2 VAL 4 HG21 VAL 4 -2.127 -1.633 -6.722 41 2HG2 VAL 4 HG22 VAL 4 -3.474 -2.192 -7.714 42 3HG2 VAL 4 HG23 VAL 4 -3.253 -0.467 -7.420 43 H PHE 5 HN PHE 5 1.472 -0.107 -8.814 44 HA PHE 5 HA PHE 5 2.306 -1.142 -6.470 45 1HB PHE 5 HB2 PHE 5 3.723 -0.616 -8.421 46 2HB PHE 5 HB1 PHE 5 3.589 1.094 -8.040 47 HD1 PHE 5 HD1 PHE 5 4.856 -2.138 -6.742 48 HD2 PHE 5 HD2 PHE 5 5.054 2.107 -6.519 49 HE1 PHE 5 HE1 PHE 5 6.833 -2.311 -5.287 50 HE2 PHE 5 HE2 PHE 5 7.032 1.943 -5.065 51 HZ PHE 5 HZ PHE 5 7.924 -0.269 -4.447 52 H LYS 6 HN LYS 6 1.003 1.965 -6.994 53 HA LYS 6 HA LYS 6 1.977 3.193 -4.612 54 1HB LYS 6 HB2 LYS 6 0.753 4.141 -6.855 55 2HB LYS 6 HB1 LYS 6 -0.583 4.172 -5.712 56 1HG LYS 6 HG2 LYS 6 1.101 5.387 -4.161 57 2HG LYS 6 HG1 LYS 6 1.985 5.691 -5.658 58 1HD LYS 6 HD2 LYS 6 0.124 6.850 -6.606 59 2HD LYS 6 HD1 LYS 6 -0.927 6.364 -5.275 60 1HE LYS 6 HE2 LYS 6 -0.392 8.543 -4.712 61 2HE LYS 6 HE1 LYS 6 0.790 7.613 -3.791 62 1HZ LYS 6 HZ1 LYS 6 2.489 8.366 -5.040 63 2HZ LYS 6 HZ2 LYS 6 1.442 9.659 -5.340 64 3HZ LYS 6 HZ3 LYS 6 1.588 8.410 -6.472 65 H ARG 7 HN ARG 7 -1.022 1.550 -5.519 66 HA ARG 7 HA ARG 7 -2.362 1.929 -3.070 67 1HB ARG 7 HB2 ARG 7 -2.612 -0.299 -5.102 68 2HB ARG 7 HB1 ARG 7 -3.723 -0.042 -3.763 69 1HG ARG 7 HG2 ARG 7 -3.206 1.885 -6.019 70 2HG ARG 7 HG1 ARG 7 -4.619 0.841 -5.845 71 1HD ARG 7 HD2 ARG 7 -3.791 3.020 -3.930 72 2HD ARG 7 HD1 ARG 7 -5.084 3.137 -5.123 73 HE ARG 7 HE ARG 7 -5.400 0.932 -3.314 74 1HH1 ARG 7 HH11 ARG 7 -5.971 4.343 -3.770 75 2HH1 ARG 7 HH12 ARG 7 -7.293 4.399 -2.654 76 1HH2 ARG 7 HH21 ARG 7 -7.137 1.003 -1.845 77 2HH2 ARG 7 HH22 ARG 7 -7.955 2.503 -1.560 78 H LEU 8 HN LEU 8 0.085 -0.311 -4.139 79 HA LEU 8 HA LEU 8 -0.156 -2.247 -2.118 80 1HB LEU 8 HB2 LEU 8 1.192 -2.634 -4.098 81 2HB LEU 8 HB1 LEU 8 2.266 -1.318 -3.663 82 HG LEU 8 HG LEU 8 2.757 -2.690 -1.533 83 1HD1 LEU 8 HD11 LEU 8 2.169 -5.108 -3.110 84 2HD1 LEU 8 HD12 LEU 8 0.778 -4.287 -2.402 85 3HD1 LEU 8 HD13 LEU 8 2.096 -4.839 -1.369 86 1HD2 LEU 8 HD21 LEU 8 3.821 -4.156 -3.860 87 2HD2 LEU 8 HD22 LEU 8 4.667 -3.372 -2.525 88 3HD2 LEU 8 HD23 LEU 8 4.055 -2.408 -3.869 89 H GLU 9 HN GLU 9 1.365 0.911 -2.218 90 HA GLU 9 HA GLU 9 2.924 0.697 0.112 91 1HB GLU 9 HB2 GLU 9 1.582 3.148 -1.049 92 2HB GLU 9 HB1 GLU 9 2.871 3.163 0.146 93 1HG GLU 9 HG2 GLU 9 4.136 1.766 -1.685 94 2HG GLU 9 HG1 GLU 9 2.980 2.555 -2.759 95 H LYS 10 HN LYS 10 -0.444 1.687 -0.382 96 HA LYS 10 HA LYS 10 -0.931 2.357 2.334 97 1HB LYS 10 HB2 LYS 10 -2.321 2.775 0.081 98 2HB LYS 10 HB1 LYS 10 -3.158 1.334 0.643 99 1HG LYS 10 HG2 LYS 10 -3.014 2.909 2.900 100 2HG LYS 10 HG1 LYS 10 -3.304 4.069 1.602 101 1HD LYS 10 HD2 LYS 10 -4.945 1.645 1.445 102 2HD LYS 10 HD1 LYS 10 -5.238 2.627 2.881 103 1HE LYS 10 HE2 LYS 10 -5.723 4.552 1.548 104 2HE LYS 10 HE1 LYS 10 -5.209 3.728 0.077 105 1HZ LYS 10 HZ1 LYS 10 -7.520 3.619 0.041 106 2HZ LYS 10 HZ2 LYS 10 -7.641 3.259 1.688 107 3HZ LYS 10 HZ3 LYS 10 -7.065 2.092 0.609 108 H LEU 11 HN LEU 11 -1.097 -0.592 0.462 109 HA LEU 11 HA LEU 11 -2.454 -2.167 2.382 110 1HB LEU 11 HB2 LEU 11 -1.341 -2.533 -0.197 111 2HB LEU 11 HB1 LEU 11 -0.610 -3.740 0.843 112 HG LEU 11 HG LEU 11 -3.036 -4.281 1.562 113 1HD1 LEU 11 HD11 LEU 11 -4.457 -2.741 0.705 114 2HD1 LEU 11 HD12 LEU 11 -4.449 -3.855 -0.662 115 3HD1 LEU 11 HD13 LEU 11 -3.435 -2.413 -0.695 116 1HD2 LEU 11 HD21 LEU 11 -2.063 -4.932 -1.218 117 2HD2 LEU 11 HD22 LEU 11 -3.280 -5.830 -0.311 118 3HD2 LEU 11 HD23 LEU 11 -1.613 -5.778 0.263 119 H PHE 12 HN PHE 12 0.884 -1.232 1.917 120 HA PHE 12 HA PHE 12 2.074 -3.119 3.642 121 1HB PHE 12 HB2 PHE 12 3.229 -1.552 1.982 122 2HB PHE 12 HB1 PHE 12 3.070 -0.303 3.212 123 HD1 PHE 12 HD1 PHE 12 4.132 -3.885 3.143 124 HD2 PHE 12 HD2 PHE 12 4.998 0.096 4.373 125 HE1 PHE 12 HE1 PHE 12 6.212 -4.669 4.196 126 HE2 PHE 12 HE2 PHE 12 7.082 -0.681 5.429 127 HZ PHE 12 HZ PHE 12 7.691 -3.065 5.340 128 H SER 13 HN SER 13 0.524 -0.011 4.183 129 HA SER 13 HA SER 13 1.304 0.231 6.905 130 1HB SER 13 HB2 SER 13 -1.226 1.475 5.916 131 2HB SER 13 HB1 SER 13 0.023 2.156 6.957 132 HG SER 13 HG SER 13 -0.157 2.104 4.199 133 H LYS 14 HN LYS 14 -0.952 -1.708 5.301 134 HA LYS 14 HA LYS 14 -2.693 -2.065 7.580 135 1HB LYS 14 HB2 LYS 14 -3.013 -2.410 4.854 136 2HB LYS 14 HB1 LYS 14 -2.919 -4.058 5.459 137 1HG LYS 14 HG2 LYS 14 -5.122 -3.817 5.767 138 2HG LYS 14 HG1 LYS 14 -4.641 -2.969 7.238 139 1HD LYS 14 HD2 LYS 14 -4.906 -0.852 6.220 140 2HD LYS 14 HD1 LYS 14 -5.008 -1.559 4.606 141 1HE LYS 14 HE2 LYS 14 -7.164 -2.384 4.976 142 2HE LYS 14 HE1 LYS 14 -7.020 -2.226 6.726 143 1HZ LYS 14 HZ1 LYS 14 -6.871 0.190 5.066 144 2HZ LYS 14 HZ2 LYS 14 -7.431 0.009 6.652 145 3HZ LYS 14 HZ3 LYS 14 -8.386 -0.508 5.355 146 H ILE 15 HN ILE 15 0.185 -3.386 6.363 147 HA ILE 15 HA ILE 15 -0.075 -5.938 7.708 148 HB ILE 15 HB ILE 15 2.399 -4.762 6.439 149 1HG1 ILE 15 HG12 ILE 15 0.552 -6.725 5.103 150 2HG1 ILE 15 HG11 ILE 15 0.281 -4.991 4.962 151 1HG2 ILE 15 HG21 ILE 15 2.609 -7.420 6.126 152 2HG2 ILE 15 HG22 ILE 15 1.687 -7.365 7.628 153 3HG2 ILE 15 HG23 ILE 15 3.248 -6.551 7.521 154 1HD1 ILE 15 HD11 ILE 15 2.874 -5.101 4.293 155 2HD1 ILE 15 HD12 ILE 15 1.555 -5.241 3.130 156 3HD1 ILE 15 HD13 ILE 15 2.347 -6.692 3.744 157 H GLN 16 HN GLN 16 1.379 -2.808 8.252 158 HA GLN 16 HA GLN 16 1.985 -3.599 10.993 159 1HB GLN 16 HB2 GLN 16 3.992 -3.020 8.943 160 2HB GLN 16 HB1 GLN 16 4.173 -2.030 10.385 161 1HG GLN 16 HG2 GLN 16 3.712 -4.853 10.957 162 2HG GLN 16 HG1 GLN 16 5.183 -4.542 10.035 163 1HE2 GLN 16 HE21 GLN 16 3.894 -4.755 13.071 164 2HE2 GLN 16 HE22 GLN 16 5.106 -3.896 13.953 165 H ASN 17 HN ASN 17 -0.003 -2.243 11.108 166 HA ASN 17 HA ASN 17 0.061 0.517 10.503 167 1HB ASN 17 HB2 ASN 17 -1.643 -1.000 12.491 168 2HB ASN 17 HB1 ASN 17 -1.930 0.661 11.980 169 1HD2 ASN 17 HD21 ASN 17 -2.072 -2.681 11.087 170 2HD2 ASN 17 HD22 ASN 17 -2.995 -2.470 9.642 171 H ASP 18 HN ASP 18 -0.331 2.178 12.330 172 HA ASP 18 HA ASP 18 1.984 2.038 14.081 173 1HB ASP 18 HB2 ASP 18 1.050 4.079 12.628 174 2HB ASP 18 HB1 ASP 18 0.161 4.390 14.116 175 H LYS 19 HN LYS 19 -1.448 2.934 14.487 176 HA LYS 19 HA LYS 19 -1.245 2.217 17.320 177 1HB LYS 19 HB2 LYS 19 -2.196 4.449 16.554 178 2HB LYS 19 HB1 LYS 19 -3.579 3.547 15.949 179 1HG LYS 19 HG2 LYS 19 -2.834 3.010 18.745 180 2HG LYS 19 HG1 LYS 19 -3.445 4.630 18.405 181 1HD LYS 19 HD2 LYS 19 -5.429 3.636 17.338 182 2HD LYS 19 HD1 LYS 19 -4.821 2.028 17.737 183 1HE LYS 19 HE2 LYS 19 -6.187 2.334 19.527 184 2HE LYS 19 HE1 LYS 19 -4.731 3.092 20.169 185 1HZ LYS 19 HZ1 LYS 19 -7.005 4.315 20.283 186 2HZ LYS 19 HZ2 LYS 19 -6.658 4.734 18.682 187 3HZ LYS 19 HZ3 LYS 19 -5.598 5.182 19.920 188 1HN NH2 20 NH1 NH2 20 -3.272 1.614 14.484 189 2HN NH2 20 NH2 NH2 20 -3.948 0.129 15.054 Start of MODEL 14 1 1H ALA 1 HT1 ALA 1 -4.681 0.242 -14.616 2 2H ALA 1 HT2 ALA 1 -4.823 1.944 -14.781 3 3H ALA 1 HT3 ALA 1 -4.100 1.273 -13.376 4 HA ALA 1 HA ALA 1 -3.044 0.903 -16.090 5 1HB ALA 1 HB1 ALA 1 -1.871 2.827 -15.986 6 2HB ALA 1 HB2 ALA 1 -1.687 2.748 -14.234 7 3HB ALA 1 HB3 ALA 1 -3.197 3.327 -14.937 8 H LYS 2 HN LYS 2 -0.421 1.040 -15.426 9 HA LYS 2 HA LYS 2 -0.103 -1.361 -13.787 10 1HB LYS 2 HB2 LYS 2 0.846 -1.270 -16.101 11 2HB LYS 2 HB1 LYS 2 1.935 -0.001 -15.557 12 1HG LYS 2 HG2 LYS 2 2.070 -2.298 -13.817 13 2HG LYS 2 HG1 LYS 2 2.381 -2.745 -15.496 14 1HD LYS 2 HD2 LYS 2 3.724 -0.287 -14.622 15 2HD LYS 2 HD1 LYS 2 4.243 -1.745 -13.773 16 1HE LYS 2 HE2 LYS 2 4.367 -2.751 -16.180 17 2HE LYS 2 HE1 LYS 2 4.444 -1.060 -16.674 18 1HZ LYS 2 HZ1 LYS 2 6.265 -1.096 -14.734 19 2HZ LYS 2 HZ2 LYS 2 6.634 -1.379 -16.361 20 3HZ LYS 2 HZ3 LYS 2 6.422 -2.682 -15.304 21 H LYS 3 HN LYS 3 -0.669 0.770 -12.227 22 HA LYS 3 HA LYS 3 1.886 1.204 -10.844 23 1HB LYS 3 HB2 LYS 3 1.303 3.542 -10.383 24 2HB LYS 3 HB1 LYS 3 1.444 3.257 -12.113 25 1HG LYS 3 HG2 LYS 3 -1.105 2.946 -12.062 26 2HG LYS 3 HG1 LYS 3 -1.020 3.725 -10.480 27 1HD LYS 3 HD2 LYS 3 0.171 5.629 -11.545 28 2HD LYS 3 HD1 LYS 3 -0.088 4.863 -13.114 29 1HE LYS 3 HE2 LYS 3 -2.316 5.586 -11.221 30 2HE LYS 3 HE1 LYS 3 -1.744 6.651 -12.503 31 1HZ LYS 3 HZ1 LYS 3 -2.364 5.030 -14.136 32 2HZ LYS 3 HZ2 LYS 3 -3.698 5.318 -13.138 33 3HZ LYS 3 HZ3 LYS 3 -2.788 3.906 -12.944 34 H VAL 4 HN VAL 4 -0.096 -0.678 -10.306 35 HA VAL 4 HA VAL 4 -1.744 0.211 -8.137 36 HB VAL 4 HB VAL 4 -2.322 -1.838 -9.370 37 1HG1 VAL 4 HG11 VAL 4 -0.907 -3.522 -9.770 38 2HG1 VAL 4 HG12 VAL 4 -0.323 -3.548 -8.106 39 3HG1 VAL 4 HG13 VAL 4 0.358 -2.404 -9.262 40 1HG2 VAL 4 HG21 VAL 4 -3.245 -2.831 -7.569 41 2HG2 VAL 4 HG22 VAL 4 -2.564 -1.449 -6.710 42 3HG2 VAL 4 HG23 VAL 4 -1.700 -2.987 -6.731 43 H PHE 5 HN PHE 5 1.464 -0.167 -8.616 44 HA PHE 5 HA PHE 5 2.630 -1.284 -6.441 45 1HB PHE 5 HB2 PHE 5 3.748 -0.379 -8.482 46 2HB PHE 5 HB1 PHE 5 3.500 1.241 -7.849 47 HD1 PHE 5 HD1 PHE 5 4.956 2.160 -6.228 48 HD2 PHE 5 HD2 PHE 5 5.253 -1.957 -7.265 49 HE1 PHE 5 HE1 PHE 5 7.087 2.010 -5.007 50 HE2 PHE 5 HE2 PHE 5 7.383 -2.115 -6.045 51 HZ PHE 5 HZ PHE 5 8.303 -0.130 -4.914 52 H LYS 6 HN LYS 6 0.878 1.630 -6.612 53 HA LYS 6 HA LYS 6 1.879 2.850 -4.244 54 1HB LYS 6 HB2 LYS 6 0.678 4.085 -6.054 55 2HB LYS 6 HB1 LYS 6 -0.807 3.275 -5.573 56 1HG LYS 6 HG2 LYS 6 -0.844 5.429 -4.600 57 2HG LYS 6 HG1 LYS 6 -0.508 4.286 -3.297 58 1HD LYS 6 HD2 LYS 6 1.976 4.804 -3.804 59 2HD LYS 6 HD1 LYS 6 1.344 6.226 -4.636 60 1HE LYS 6 HE2 LYS 6 1.518 7.183 -2.606 61 2HE LYS 6 HE1 LYS 6 -0.018 6.369 -2.307 62 1HZ LYS 6 HZ1 LYS 6 1.106 5.575 -0.542 63 2HZ LYS 6 HZ2 LYS 6 2.627 5.787 -1.253 64 3HZ LYS 6 HZ3 LYS 6 1.686 4.441 -1.657 65 H ARG 7 HN ARG 7 -0.914 0.801 -4.981 66 HA ARG 7 HA ARG 7 -2.042 0.834 -2.400 67 1HB ARG 7 HB2 ARG 7 -2.366 -0.736 -4.857 68 2HB ARG 7 HB1 ARG 7 -2.685 -1.652 -3.390 69 1HG ARG 7 HG2 ARG 7 -4.489 -0.348 -2.803 70 2HG ARG 7 HG1 ARG 7 -3.930 1.035 -3.746 71 1HD ARG 7 HD2 ARG 7 -5.147 0.389 -5.487 72 2HD ARG 7 HD1 ARG 7 -4.365 -1.190 -5.491 73 HE ARG 7 HE ARG 7 -6.292 -2.040 -4.641 74 1HH1 ARG 7 HH11 ARG 7 -6.110 1.323 -3.723 75 2HH1 ARG 7 HH12 ARG 7 -7.649 1.318 -2.929 76 1HH2 ARG 7 HH21 ARG 7 -8.316 -2.047 -3.597 77 2HH2 ARG 7 HH22 ARG 7 -8.901 -0.594 -2.857 78 H LEU 8 HN LEU 8 0.559 -0.999 -3.851 79 HA LEU 8 HA LEU 8 0.789 -3.005 -1.885 80 1HB LEU 8 HB2 LEU 8 2.150 -2.248 -4.237 81 2HB LEU 8 HB1 LEU 8 3.356 -2.273 -2.965 82 HG LEU 8 HG LEU 8 2.763 -4.592 -2.432 83 1HD1 LEU 8 HD11 LEU 8 1.035 -5.734 -3.342 84 2HD1 LEU 8 HD12 LEU 8 1.140 -4.885 -4.885 85 3HD1 LEU 8 HD13 LEU 8 0.363 -4.111 -3.504 86 1HD2 LEU 8 HD21 LEU 8 3.588 -5.620 -4.533 87 2HD2 LEU 8 HD22 LEU 8 4.546 -4.236 -4.007 88 3HD2 LEU 8 HD23 LEU 8 3.395 -4.060 -5.331 89 H GLU 9 HN GLU 9 2.097 0.260 -2.145 90 HA GLU 9 HA GLU 9 3.803 0.068 0.123 91 1HB GLU 9 HB2 GLU 9 2.582 2.464 -1.262 92 2HB GLU 9 HB1 GLU 9 3.771 2.577 0.028 93 1HG GLU 9 HG2 GLU 9 5.409 1.439 -1.328 94 2HG GLU 9 HG1 GLU 9 4.218 1.184 -2.602 95 H LYS 10 HN LYS 10 0.431 0.834 -0.355 96 HA LYS 10 HA LYS 10 -0.030 1.912 2.240 97 1HB LYS 10 HB2 LYS 10 -1.873 0.739 0.157 98 2HB LYS 10 HB1 LYS 10 -2.453 1.381 1.687 99 1HG LYS 10 HG2 LYS 10 -0.862 3.409 0.715 100 2HG LYS 10 HG1 LYS 10 -1.643 2.768 -0.732 101 1HD LYS 10 HD2 LYS 10 -3.682 3.507 -0.112 102 2HD LYS 10 HD1 LYS 10 -3.414 3.125 1.590 103 1HE LYS 10 HE2 LYS 10 -1.674 5.180 1.222 104 2HE LYS 10 HE1 LYS 10 -2.975 5.629 0.119 105 1HZ LYS 10 HZ1 LYS 10 -3.562 4.825 2.897 106 2HZ LYS 10 HZ2 LYS 10 -4.497 5.760 1.843 107 3HZ LYS 10 HZ3 LYS 10 -3.100 6.413 2.538 108 H LEU 11 HN LEU 11 -0.033 -1.300 0.846 109 HA LEU 11 HA LEU 11 -1.299 -2.622 3.012 110 1HB LEU 11 HB2 LEU 11 -0.337 -3.335 0.492 111 2HB LEU 11 HB1 LEU 11 0.653 -4.255 1.609 112 HG LEU 11 HG LEU 11 -1.251 -5.575 0.911 113 1HD1 LEU 11 HD11 LEU 11 -1.043 -4.674 3.734 114 2HD1 LEU 11 HD12 LEU 11 -0.731 -6.258 3.024 115 3HD1 LEU 11 HD13 LEU 11 -2.390 -5.720 3.285 116 1HD2 LEU 11 HD21 LEU 11 -2.696 -3.546 0.452 117 2HD2 LEU 11 HD22 LEU 11 -3.053 -3.530 2.179 118 3HD2 LEU 11 HD23 LEU 11 -3.501 -4.926 1.199 119 H PHE 12 HN PHE 12 2.005 -1.666 2.333 120 HA PHE 12 HA PHE 12 3.230 -3.204 4.378 121 1HB PHE 12 HB2 PHE 12 4.357 -2.031 2.391 122 2HB PHE 12 HB1 PHE 12 4.258 -0.560 3.351 123 HD1 PHE 12 HD1 PHE 12 5.745 -0.164 5.155 124 HD2 PHE 12 HD2 PHE 12 5.731 -3.930 3.175 125 HE1 PHE 12 HE1 PHE 12 7.843 -0.764 6.291 126 HE2 PHE 12 HE2 PHE 12 7.829 -4.538 4.307 127 HZ PHE 12 HZ PHE 12 8.888 -2.954 5.867 128 H SER 13 HN SER 13 1.670 -0.073 4.275 129 HA SER 13 HA SER 13 2.519 0.770 6.855 130 1HB SER 13 HB2 SER 13 1.014 1.878 4.716 131 2HB SER 13 HB1 SER 13 0.006 1.960 6.160 132 HG SER 13 HG SER 13 1.981 2.869 7.181 133 H LYS 14 HN LYS 14 0.199 -1.434 5.729 134 HA LYS 14 HA LYS 14 -1.487 -1.330 8.059 135 1HB LYS 14 HB2 LYS 14 -1.378 -3.038 5.603 136 2HB LYS 14 HB1 LYS 14 -2.324 -3.568 6.988 137 1HG LYS 14 HG2 LYS 14 -3.248 -1.069 6.771 138 2HG LYS 14 HG1 LYS 14 -2.808 -1.362 5.087 139 1HD LYS 14 HD2 LYS 14 -4.868 -2.267 4.967 140 2HD LYS 14 HD1 LYS 14 -4.081 -3.675 5.684 141 1HE LYS 14 HE2 LYS 14 -5.085 -3.381 7.687 142 2HE LYS 14 HE1 LYS 14 -5.020 -1.623 7.580 143 1HZ LYS 14 HZ1 LYS 14 -6.955 -3.391 6.184 144 2HZ LYS 14 HZ2 LYS 14 -6.873 -1.711 6.004 145 3HZ LYS 14 HZ3 LYS 14 -7.291 -2.381 7.500 146 H ILE 15 HN ILE 15 1.427 -2.819 7.163 147 HA ILE 15 HA ILE 15 1.231 -5.037 9.002 148 HB ILE 15 HB ILE 15 3.711 -4.003 7.630 149 1HG1 ILE 15 HG12 ILE 15 1.839 -6.168 6.655 150 2HG1 ILE 15 HG11 ILE 15 1.836 -4.519 6.038 151 1HG2 ILE 15 HG21 ILE 15 3.047 -6.356 9.274 152 2HG2 ILE 15 HG22 ILE 15 4.580 -5.512 9.064 153 3HG2 ILE 15 HG23 ILE 15 4.034 -6.664 7.846 154 1HD1 ILE 15 HD11 ILE 15 3.770 -6.710 5.596 155 2HD1 ILE 15 HD12 ILE 15 4.402 -5.065 5.663 156 3HD1 ILE 15 HD13 ILE 15 3.162 -5.486 4.482 157 H GLN 16 HN GLN 16 2.529 -1.792 8.967 158 HA GLN 16 HA GLN 16 3.722 -2.202 11.618 159 1HB GLN 16 HB2 GLN 16 5.105 -1.165 9.808 160 2HB GLN 16 HB1 GLN 16 3.985 0.190 9.789 161 1HG GLN 16 HG2 GLN 16 4.625 0.070 12.423 162 2HG GLN 16 HG1 GLN 16 6.128 -0.465 11.673 163 1HE2 GLN 16 HE21 GLN 16 5.321 2.036 13.105 164 2HE2 GLN 16 HE22 GLN 16 5.774 3.317 12.038 165 H ASN 17 HN ASN 17 1.600 0.055 9.870 166 HA ASN 17 HA ASN 17 0.645 1.129 12.413 167 1HB ASN 17 HB2 ASN 17 1.271 2.501 10.260 168 2HB ASN 17 HB1 ASN 17 -0.357 2.064 9.750 169 1HD2 ASN 17 HD21 ASN 17 1.451 3.523 12.408 170 2HD2 ASN 17 HD22 ASN 17 0.204 4.616 12.892 171 H ASP 18 HN ASP 18 -1.571 1.185 12.962 172 HA ASP 18 HA ASP 18 -3.003 -1.182 12.202 173 1HB ASP 18 HB2 ASP 18 -2.987 -0.186 14.519 174 2HB ASP 18 HB1 ASP 18 -4.007 1.108 13.898 175 H LYS 19 HN LYS 19 -4.011 2.242 12.201 176 HA LYS 19 HA LYS 19 -6.040 1.685 10.220 177 1HB LYS 19 HB2 LYS 19 -6.453 4.179 10.414 178 2HB LYS 19 HB1 LYS 19 -6.683 3.243 11.884 179 1HG LYS 19 HG2 LYS 19 -4.809 4.117 12.897 180 2HG LYS 19 HG1 LYS 19 -4.048 4.540 11.363 181 1HD LYS 19 HD2 LYS 19 -4.739 6.576 12.374 182 2HD LYS 19 HD1 LYS 19 -5.866 6.253 11.055 183 1HE LYS 19 HE2 LYS 19 -7.446 6.645 12.601 184 2HE LYS 19 HE1 LYS 19 -7.097 5.000 13.128 185 1HZ LYS 19 HZ1 LYS 19 -5.462 7.162 14.227 186 2HZ LYS 19 HZ2 LYS 19 -5.975 5.722 14.951 187 3HZ LYS 19 HZ3 LYS 19 -7.051 7.017 14.789 188 1HN NH2 20 NH1 NH2 20 -4.894 1.096 8.389 189 2HN NH2 20 NH2 NH2 20 -3.975 2.223 7.457 Start of MODEL 15 1 1H ALA 1 HT1 ALA 1 -2.439 3.284 -16.169 2 2H ALA 1 HT2 ALA 1 -3.198 1.870 -16.779 3 3H ALA 1 HT3 ALA 1 -2.314 2.896 -17.834 4 HA ALA 1 HA ALA 1 -0.906 1.169 -17.480 5 1HB ALA 1 HB1 ALA 1 -0.165 3.623 -16.770 6 2HB ALA 1 HB2 ALA 1 0.923 2.239 -16.663 7 3HB ALA 1 HB3 ALA 1 0.083 2.814 -15.222 8 H LYS 2 HN LYS 2 0.373 -0.135 -15.830 9 HA LYS 2 HA LYS 2 -1.523 -1.179 -13.854 10 1HB LYS 2 HB2 LYS 2 0.311 -2.389 -15.688 11 2HB LYS 2 HB1 LYS 2 0.771 -2.847 -14.055 12 1HG LYS 2 HG2 LYS 2 -2.093 -3.040 -14.502 13 2HG LYS 2 HG1 LYS 2 -1.156 -4.050 -15.605 14 1HD LYS 2 HD2 LYS 2 -0.544 -5.463 -13.972 15 2HD LYS 2 HD1 LYS 2 -0.232 -4.154 -12.830 16 1HE LYS 2 HE2 LYS 2 -2.024 -5.071 -11.788 17 2HE LYS 2 HE1 LYS 2 -2.895 -4.015 -12.900 18 1HZ LYS 2 HZ1 LYS 2 -3.658 -5.749 -14.084 19 2HZ LYS 2 HZ2 LYS 2 -3.370 -6.621 -12.664 20 3HZ LYS 2 HZ3 LYS 2 -2.237 -6.653 -13.919 21 H LYS 3 HN LYS 3 -0.591 1.075 -12.910 22 HA LYS 3 HA LYS 3 1.787 0.541 -11.274 23 1HB LYS 3 HB2 LYS 3 0.904 2.819 -12.573 24 2HB LYS 3 HB1 LYS 3 0.461 3.125 -10.900 25 1HG LYS 3 HG2 LYS 3 2.543 3.756 -10.509 26 2HG LYS 3 HG1 LYS 3 3.072 2.104 -10.834 27 1HD LYS 3 HD2 LYS 3 2.715 3.147 -13.357 28 2HD LYS 3 HD1 LYS 3 3.358 4.518 -12.450 29 1HE LYS 3 HE2 LYS 3 4.596 1.769 -12.554 30 2HE LYS 3 HE1 LYS 3 5.120 3.151 -13.515 31 1HZ LYS 3 HZ1 LYS 3 5.200 4.193 -11.072 32 2HZ LYS 3 HZ2 LYS 3 6.522 3.425 -11.795 33 3HZ LYS 3 HZ3 LYS 3 5.549 2.580 -10.700 34 H VAL 4 HN VAL 4 -0.411 -1.004 -10.642 35 HA VAL 4 HA VAL 4 -1.867 0.082 -8.441 36 HB VAL 4 HB VAL 4 -2.681 -1.924 -9.611 37 1HG1 VAL 4 HG11 VAL 4 -1.502 -4.115 -9.053 38 2HG1 VAL 4 HG12 VAL 4 -0.119 -3.120 -8.598 39 3HG1 VAL 4 HG13 VAL 4 -0.735 -3.070 -10.250 40 1HG2 VAL 4 HG21 VAL 4 -1.969 -2.574 -6.754 41 2HG2 VAL 4 HG22 VAL 4 -3.318 -3.223 -7.686 42 3HG2 VAL 4 HG23 VAL 4 -3.293 -1.516 -7.242 43 H PHE 5 HN PHE 5 1.274 -0.655 -8.980 44 HA PHE 5 HA PHE 5 2.359 -1.827 -6.787 45 1HB PHE 5 HB2 PHE 5 3.533 -1.126 -8.872 46 2HB PHE 5 HB1 PHE 5 3.460 0.536 -8.310 47 HD1 PHE 5 HD1 PHE 5 5.150 -2.654 -8.020 48 HD2 PHE 5 HD2 PHE 5 4.773 1.237 -6.338 49 HE1 PHE 5 HE1 PHE 5 7.275 -2.971 -6.820 50 HE2 PHE 5 HE2 PHE 5 6.898 0.928 -5.136 51 HZ PHE 5 HZ PHE 5 8.152 -1.178 -5.376 52 H LYS 6 HN LYS 6 0.935 1.255 -7.037 53 HA LYS 6 HA LYS 6 2.101 2.443 -4.732 54 1HB LYS 6 HB2 LYS 6 0.925 3.660 -6.631 55 2HB LYS 6 HB1 LYS 6 -0.591 3.124 -5.920 56 1HG LYS 6 HG2 LYS 6 -0.001 4.297 -3.838 57 2HG LYS 6 HG1 LYS 6 1.473 4.883 -4.612 58 1HD LYS 6 HD2 LYS 6 -0.222 5.732 -6.439 59 2HD LYS 6 HD1 LYS 6 -1.368 5.644 -5.100 60 1HE LYS 6 HE2 LYS 6 -0.496 7.443 -4.088 61 2HE LYS 6 HE1 LYS 6 1.161 6.923 -4.394 62 1HZ LYS 6 HZ1 LYS 6 1.087 8.750 -5.711 63 2HZ LYS 6 HZ2 LYS 6 -0.575 8.637 -6.000 64 3HZ LYS 6 HZ3 LYS 6 0.497 7.627 -6.831 65 H ARG 7 HN ARG 7 -0.745 0.479 -5.346 66 HA ARG 7 HA ARG 7 -1.975 0.781 -2.830 67 1HB ARG 7 HB2 ARG 7 -2.088 -1.334 -4.959 68 2HB ARG 7 HB1 ARG 7 -2.902 -1.578 -3.420 69 1HG ARG 7 HG2 ARG 7 -3.437 0.991 -4.754 70 2HG ARG 7 HG1 ARG 7 -4.055 -0.448 -5.567 71 1HD ARG 7 HD2 ARG 7 -4.629 -0.728 -2.813 72 2HD ARG 7 HD1 ARG 7 -5.087 0.910 -3.275 73 HE ARG 7 HE ARG 7 -6.786 0.047 -4.553 74 1HH1 ARG 7 HH11 ARG 7 -4.622 -2.533 -3.635 75 2HH1 ARG 7 HH12 ARG 7 -5.667 -3.785 -4.216 76 1HH2 ARG 7 HH21 ARG 7 -8.163 -1.598 -5.315 77 2HH2 ARG 7 HH22 ARG 7 -7.678 -3.254 -5.169 78 H LEU 8 HN LEU 8 0.607 -1.284 -4.002 79 HA LEU 8 HA LEU 8 0.720 -3.072 -1.835 80 1HB LEU 8 HB2 LEU 8 2.563 -2.220 -3.997 81 2HB LEU 8 HB1 LEU 8 3.297 -2.984 -2.600 82 HG LEU 8 HG LEU 8 1.042 -4.251 -4.144 83 1HD1 LEU 8 HD11 LEU 8 3.429 -3.728 -5.281 84 2HD1 LEU 8 HD12 LEU 8 2.452 -5.149 -5.651 85 3HD1 LEU 8 HD13 LEU 8 3.781 -5.269 -4.498 86 1HD2 LEU 8 HD21 LEU 8 1.419 -5.056 -1.854 87 2HD2 LEU 8 HD22 LEU 8 3.100 -5.397 -2.261 88 3HD2 LEU 8 HD23 LEU 8 1.802 -6.285 -3.059 89 H GLU 9 HN GLU 9 2.174 0.101 -2.367 90 HA GLU 9 HA GLU 9 3.755 0.088 -0.006 91 1HB GLU 9 HB2 GLU 9 2.731 2.327 -1.756 92 2HB GLU 9 HB1 GLU 9 3.767 2.604 -0.363 93 1HG GLU 9 HG2 GLU 9 5.565 1.428 -1.349 94 2HG GLU 9 HG1 GLU 9 4.534 0.788 -2.628 95 H LYS 10 HN LYS 10 0.463 1.024 -0.758 96 HA LYS 10 HA LYS 10 -0.056 2.326 1.722 97 1HB LYS 10 HB2 LYS 10 -1.437 1.907 -0.702 98 2HB LYS 10 HB1 LYS 10 -2.432 1.179 0.552 99 1HG LYS 10 HG2 LYS 10 -3.194 3.180 1.096 100 2HG LYS 10 HG1 LYS 10 -1.558 3.682 1.527 101 1HD LYS 10 HD2 LYS 10 -1.201 4.174 -0.929 102 2HD LYS 10 HD1 LYS 10 -2.939 3.947 -1.136 103 1HE LYS 10 HE2 LYS 10 -2.906 5.661 0.954 104 2HE LYS 10 HE1 LYS 10 -1.447 6.166 0.102 105 1HZ LYS 10 HZ1 LYS 10 -2.626 6.909 -1.668 106 2HZ LYS 10 HZ2 LYS 10 -3.818 7.127 -0.488 107 3HZ LYS 10 HZ3 LYS 10 -3.862 5.767 -1.492 108 H LEU 11 HN LEU 11 -0.242 -0.969 0.559 109 HA LEU 11 HA LEU 11 -1.718 -2.000 2.765 110 1HB LEU 11 HB2 LEU 11 -0.012 -3.227 0.621 111 2HB LEU 11 HB1 LEU 11 -0.616 -4.204 1.946 112 HG LEU 11 HG LEU 11 -2.578 -2.565 0.419 113 1HD1 LEU 11 HD11 LEU 11 -1.314 -5.102 -0.598 114 2HD1 LEU 11 HD12 LEU 11 -1.321 -3.521 -1.381 115 3HD1 LEU 11 HD13 LEU 11 -2.825 -4.426 -1.208 116 1HD2 LEU 11 HD21 LEU 11 -4.093 -3.984 1.299 117 2HD2 LEU 11 HD22 LEU 11 -2.817 -4.277 2.482 118 3HD2 LEU 11 HD23 LEU 11 -3.038 -5.388 1.130 119 H PHE 12 HN PHE 12 1.665 -1.401 2.114 120 HA PHE 12 HA PHE 12 2.691 -2.913 4.297 121 1HB PHE 12 HB2 PHE 12 3.973 -2.078 2.243 122 2HB PHE 12 HB1 PHE 12 4.027 -0.513 3.047 123 HD1 PHE 12 HD1 PHE 12 5.272 -0.248 5.156 124 HD2 PHE 12 HD2 PHE 12 5.367 -3.875 2.932 125 HE1 PHE 12 HE1 PHE 12 7.274 -0.954 6.400 126 HE2 PHE 12 HE2 PHE 12 7.368 -4.588 4.172 127 HZ PHE 12 HZ PHE 12 8.325 -3.127 5.908 128 H SER 13 HN SER 13 1.462 0.337 3.909 129 HA SER 13 HA SER 13 2.402 1.255 6.454 130 1HB SER 13 HB2 SER 13 1.211 3.276 6.002 131 2HB SER 13 HB1 SER 13 1.881 2.741 4.462 132 HG SER 13 HG SER 13 -0.069 2.430 3.723 133 H LYS 14 HN LYS 14 -0.214 -0.611 5.373 134 HA LYS 14 HA LYS 14 -1.913 -0.029 7.636 135 1HB LYS 14 HB2 LYS 14 -2.130 -1.858 5.269 136 2HB LYS 14 HB1 LYS 14 -3.226 -2.030 6.633 137 1HG LYS 14 HG2 LYS 14 -4.276 -0.028 6.220 138 2HG LYS 14 HG1 LYS 14 -2.887 0.645 5.363 139 1HD LYS 14 HD2 LYS 14 -3.391 -1.270 3.652 140 2HD LYS 14 HD1 LYS 14 -4.995 -1.234 4.388 141 1HE LYS 14 HE2 LYS 14 -5.506 0.778 3.494 142 2HE LYS 14 HE1 LYS 14 -3.858 1.384 3.653 143 1HZ LYS 14 HZ1 LYS 14 -4.249 1.188 1.365 144 2HZ LYS 14 HZ2 LYS 14 -4.971 -0.334 1.516 145 3HZ LYS 14 HZ3 LYS 14 -3.305 -0.162 1.752 146 H ILE 15 HN ILE 15 0.504 -2.270 6.723 147 HA ILE 15 HA ILE 15 -0.135 -4.185 8.803 148 HB ILE 15 HB ILE 15 2.314 -4.077 7.039 149 1HG1 ILE 15 HG12 ILE 15 0.063 -5.980 6.571 150 2HG1 ILE 15 HG11 ILE 15 -0.129 -4.317 6.026 151 1HG2 ILE 15 HG21 ILE 15 2.979 -5.593 8.571 152 2HG2 ILE 15 HG22 ILE 15 1.951 -6.678 7.634 153 3HG2 ILE 15 HG23 ILE 15 1.333 -5.932 9.108 154 1HD1 ILE 15 HD11 ILE 15 0.834 -6.133 4.431 155 2HD1 ILE 15 HD12 ILE 15 2.338 -5.813 5.294 156 3HD1 ILE 15 HD13 ILE 15 1.516 -4.507 4.442 157 H GLN 16 HN GLN 16 2.034 -1.500 8.268 158 HA GLN 16 HA GLN 16 3.755 -2.067 10.483 159 1HB GLN 16 HB2 GLN 16 3.342 0.323 8.707 160 2HB GLN 16 HB1 GLN 16 4.399 0.407 10.110 161 1HG GLN 16 HG2 GLN 16 4.790 -1.809 8.171 162 2HG GLN 16 HG1 GLN 16 5.321 -0.188 7.725 163 1HE2 GLN 16 HE21 GLN 16 6.630 0.927 9.471 164 2HE2 GLN 16 HE22 GLN 16 7.829 -0.033 10.263 165 H ASN 17 HN ASN 17 1.167 0.317 9.930 166 HA ASN 17 HA ASN 17 1.207 1.227 12.646 167 1HB ASN 17 HB2 ASN 17 -0.556 1.737 10.270 168 2HB ASN 17 HB1 ASN 17 -1.048 2.286 11.870 169 1HD2 ASN 17 HD21 ASN 17 0.902 3.366 13.069 170 2HD2 ASN 17 HD22 ASN 17 1.715 4.582 12.149 171 H ASP 18 HN ASP 18 0.128 0.462 14.350 172 HA ASP 18 HA ASP 18 -1.635 -1.833 13.948 173 1HB ASP 18 HB2 ASP 18 0.005 -0.801 16.210 174 2HB ASP 18 HB1 ASP 18 -1.440 -1.726 16.606 175 H LYS 19 HN LYS 19 -2.544 0.880 13.342 176 HA LYS 19 HA LYS 19 -4.575 1.279 15.427 177 1HB LYS 19 HB2 LYS 19 -3.379 3.086 13.352 178 2HB LYS 19 HB1 LYS 19 -4.952 3.456 14.046 179 1HG LYS 19 HG2 LYS 19 -4.071 3.777 16.180 180 2HG LYS 19 HG1 LYS 19 -2.572 2.932 15.787 181 1HD LYS 19 HD2 LYS 19 -2.220 4.823 14.068 182 2HD LYS 19 HD1 LYS 19 -3.453 5.686 14.990 183 1HE LYS 19 HE2 LYS 19 -1.240 4.451 16.522 184 2HE LYS 19 HE1 LYS 19 -0.842 5.858 15.537 185 1HZ LYS 19 HZ1 LYS 19 -1.633 6.163 17.971 186 2HZ LYS 19 HZ2 LYS 19 -3.179 5.957 17.317 187 3HZ LYS 19 HZ3 LYS 19 -2.193 7.218 16.772 188 1HN NH2 20 NH1 NH2 20 -4.327 1.476 11.886 189 2HN NH2 20 NH2 NH2 20 -5.904 0.848 11.565 Start of MODEL 16 1 1H ALA 1 HT1 ALA 1 -3.747 0.087 -14.435 2 2H ALA 1 HT2 ALA 1 -3.886 -0.769 -15.916 3 3H ALA 1 HT3 ALA 1 -4.330 0.887 -15.835 4 HA ALA 1 HA ALA 1 -2.184 0.439 -16.896 5 1HB ALA 1 HB1 ALA 1 -2.063 2.101 -14.385 6 2HB ALA 1 HB2 ALA 1 -2.822 2.614 -15.892 7 3HB ALA 1 HB3 ALA 1 -1.088 2.300 -15.840 8 H LYS 2 HN LYS 2 0.200 0.435 -16.207 9 HA LYS 2 HA LYS 2 0.599 -1.914 -14.511 10 1HB LYS 2 HB2 LYS 2 1.557 -1.454 -16.960 11 2HB LYS 2 HB1 LYS 2 2.844 -0.693 -16.036 12 1HG LYS 2 HG2 LYS 2 2.981 -2.863 -14.724 13 2HG LYS 2 HG1 LYS 2 1.961 -3.559 -15.985 14 1HD LYS 2 HD2 LYS 2 4.233 -4.028 -16.551 15 2HD LYS 2 HD1 LYS 2 3.652 -2.785 -17.661 16 1HE LYS 2 HE2 LYS 2 4.844 -1.088 -16.545 17 2HE LYS 2 HE1 LYS 2 5.136 -2.109 -15.138 18 1HZ LYS 2 HZ1 LYS 2 6.303 -2.509 -17.840 19 2HZ LYS 2 HZ2 LYS 2 6.580 -3.496 -16.495 20 3HZ LYS 2 HZ3 LYS 2 7.119 -1.893 -16.492 21 H LYS 3 HN LYS 3 -0.015 0.289 -13.047 22 HA LYS 3 HA LYS 3 2.467 0.701 -11.565 23 1HB LYS 3 HB2 LYS 3 2.185 3.105 -11.412 24 2HB LYS 3 HB1 LYS 3 2.293 2.640 -13.104 25 1HG LYS 3 HG2 LYS 3 0.230 3.374 -13.566 26 2HG LYS 3 HG1 LYS 3 -0.440 2.747 -12.059 27 1HD LYS 3 HD2 LYS 3 0.597 4.658 -10.862 28 2HD LYS 3 HD1 LYS 3 1.125 5.302 -12.418 29 1HE LYS 3 HE2 LYS 3 -0.871 6.445 -11.888 30 2HE LYS 3 HE1 LYS 3 -1.305 5.255 -13.115 31 1HZ LYS 3 HZ1 LYS 3 -1.660 4.832 -10.199 32 2HZ LYS 3 HZ2 LYS 3 -2.227 3.843 -11.448 33 3HZ LYS 3 HZ3 LYS 3 -2.882 5.387 -11.229 34 H VAL 4 HN VAL 4 0.271 -0.912 -11.014 35 HA VAL 4 HA VAL 4 -1.444 0.362 -9.103 36 HB VAL 4 HB VAL 4 -0.767 -2.582 -9.211 37 1HG1 VAL 4 HG11 VAL 4 -2.033 -2.452 -7.346 38 2HG1 VAL 4 HG12 VAL 4 -3.358 -2.444 -8.510 39 3HG1 VAL 4 HG13 VAL 4 -2.777 -0.927 -7.826 40 1HG2 VAL 4 HG21 VAL 4 -2.481 -0.935 -10.995 41 2HG2 VAL 4 HG22 VAL 4 -3.051 -2.542 -10.544 42 3HG2 VAL 4 HG23 VAL 4 -1.500 -2.354 -11.362 43 H PHE 5 HN PHE 5 1.736 -0.333 -9.248 44 HA PHE 5 HA PHE 5 2.636 -1.338 -6.912 45 1HB PHE 5 HB2 PHE 5 4.006 -0.685 -8.868 46 2HB PHE 5 HB1 PHE 5 3.770 1.003 -8.444 47 HD1 PHE 5 HD1 PHE 5 5.176 2.065 -6.903 48 HD2 PHE 5 HD2 PHE 5 5.237 -2.177 -7.229 49 HE1 PHE 5 HE1 PHE 5 7.169 1.988 -5.463 50 HE2 PHE 5 HE2 PHE 5 7.229 -2.263 -5.788 51 HZ PHE 5 HZ PHE 5 8.198 -0.179 -4.903 52 H LYS 6 HN LYS 6 1.132 1.679 -7.427 53 HA LYS 6 HA LYS 6 2.006 2.974 -5.048 54 1HB LYS 6 HB2 LYS 6 0.855 3.936 -7.229 55 2HB LYS 6 HB1 LYS 6 -0.618 3.645 -6.315 56 1HG LYS 6 HG2 LYS 6 -0.314 5.659 -5.433 57 2HG LYS 6 HG1 LYS 6 1.009 4.947 -4.507 58 1HD LYS 6 HD2 LYS 6 1.257 6.253 -7.217 59 2HD LYS 6 HD1 LYS 6 1.713 6.983 -5.677 60 1HE LYS 6 HE2 LYS 6 3.621 5.792 -5.529 61 2HE LYS 6 HE1 LYS 6 2.889 4.341 -6.214 62 1HZ LYS 6 HZ1 LYS 6 4.211 4.877 -7.940 63 2HZ LYS 6 HZ2 LYS 6 4.282 6.520 -7.542 64 3HZ LYS 6 HZ3 LYS 6 2.931 5.905 -8.353 65 H ARG 7 HN ARG 7 -0.785 1.002 -5.920 66 HA ARG 7 HA ARG 7 -2.198 1.324 -3.496 67 1HB ARG 7 HB2 ARG 7 -2.214 -0.825 -5.609 68 2HB ARG 7 HB1 ARG 7 -3.225 -0.928 -4.174 69 1HG ARG 7 HG2 ARG 7 -3.299 1.224 -6.277 70 2HG ARG 7 HG1 ARG 7 -4.504 -0.036 -6.004 71 1HD ARG 7 HD2 ARG 7 -5.558 1.388 -4.659 72 2HD ARG 7 HD1 ARG 7 -4.212 1.215 -3.534 73 HE ARG 7 HE ARG 7 -3.510 3.317 -4.102 74 1HH1 ARG 7 HH11 ARG 7 -5.804 2.213 -6.489 75 2HH1 ARG 7 HH12 ARG 7 -5.907 3.748 -7.283 76 1HH2 ARG 7 HH21 ARG 7 -3.643 5.338 -5.147 77 2HH2 ARG 7 HH22 ARG 7 -4.679 5.522 -6.522 78 H LEU 8 HN LEU 8 0.433 -0.744 -4.500 79 HA LEU 8 HA LEU 8 0.332 -2.596 -2.376 80 1HB LEU 8 HB2 LEU 8 2.018 -2.045 -4.602 81 2HB LEU 8 HB1 LEU 8 3.037 -2.152 -3.180 82 HG LEU 8 HG LEU 8 1.476 -4.358 -2.857 83 1HD1 LEU 8 HD11 LEU 8 1.681 -3.777 -5.786 84 2HD1 LEU 8 HD12 LEU 8 0.297 -4.351 -4.855 85 3HD1 LEU 8 HD13 LEU 8 1.645 -5.437 -5.191 86 1HD2 LEU 8 HD21 LEU 8 3.410 -5.552 -3.212 87 2HD2 LEU 8 HD22 LEU 8 4.054 -3.933 -2.942 88 3HD2 LEU 8 HD23 LEU 8 3.900 -4.558 -4.584 89 H GLU 9 HN GLU 9 1.772 0.592 -2.719 90 HA GLU 9 HA GLU 9 3.310 0.520 -0.340 91 1HB GLU 9 HB2 GLU 9 3.120 2.251 -2.430 92 2HB GLU 9 HB1 GLU 9 2.241 3.138 -1.192 93 1HG GLU 9 HG2 GLU 9 4.320 3.923 -0.777 94 2HG GLU 9 HG1 GLU 9 4.364 2.491 0.252 95 H LYS 10 HN LYS 10 -0.023 1.328 -1.052 96 HA LYS 10 HA LYS 10 -0.617 2.500 1.468 97 1HB LYS 10 HB2 LYS 10 -1.992 2.017 -0.958 98 2HB LYS 10 HB1 LYS 10 -2.923 1.228 0.308 99 1HG LYS 10 HG2 LYS 10 -3.850 3.327 0.280 100 2HG LYS 10 HG1 LYS 10 -2.642 3.490 1.557 101 1HD LYS 10 HD2 LYS 10 -1.082 4.300 -0.333 102 2HD LYS 10 HD1 LYS 10 -2.570 4.528 -1.256 103 1HE LYS 10 HE2 LYS 10 -2.278 5.668 1.499 104 2HE LYS 10 HE1 LYS 10 -1.619 6.513 0.100 105 1HZ LYS 10 HZ1 LYS 10 -4.076 5.989 -0.761 106 2HZ LYS 10 HZ2 LYS 10 -3.667 7.409 0.062 107 3HZ LYS 10 HZ3 LYS 10 -4.384 6.125 0.898 108 H LEU 11 HN LEU 11 -0.739 -0.771 0.174 109 HA LEU 11 HA LEU 11 -2.059 -1.966 2.366 110 1HB LEU 11 HB2 LEU 11 -1.176 -2.816 -0.093 111 2HB LEU 11 HB1 LEU 11 -0.078 -3.641 0.997 112 HG LEU 11 HG LEU 11 -2.389 -4.236 2.216 113 1HD1 LEU 11 HD11 LEU 11 -4.235 -4.243 0.924 114 2HD1 LEU 11 HD12 LEU 11 -3.332 -4.570 -0.555 115 3HD1 LEU 11 HD13 LEU 11 -3.399 -2.932 0.093 116 1HD2 LEU 11 HD21 LEU 11 -2.344 -6.259 0.461 117 2HD2 LEU 11 HD22 LEU 11 -1.163 -6.081 1.759 118 3HD2 LEU 11 HD23 LEU 11 -0.766 -5.548 0.126 119 H PHE 12 HN PHE 12 1.274 -1.098 1.745 120 HA PHE 12 HA PHE 12 2.451 -2.604 3.831 121 1HB PHE 12 HB2 PHE 12 3.620 -1.435 1.872 122 2HB PHE 12 HB1 PHE 12 3.481 0.044 2.815 123 HD1 PHE 12 HD1 PHE 12 4.924 0.477 4.644 124 HD2 PHE 12 HD2 PHE 12 4.988 -3.316 2.716 125 HE1 PHE 12 HE1 PHE 12 7.002 -0.090 5.835 126 HE2 PHE 12 HE2 PHE 12 7.064 -3.890 3.904 127 HZ PHE 12 HZ PHE 12 8.074 -2.276 5.466 128 H SER 13 HN SER 13 0.931 0.559 3.681 129 HA SER 13 HA SER 13 1.704 1.386 6.285 130 1HB SER 13 HB2 SER 13 0.593 2.684 4.194 131 2HB SER 13 HB1 SER 13 -0.846 2.415 5.178 132 HG SER 13 HG SER 13 1.556 3.599 6.120 133 H LYS 14 HN LYS 14 -0.587 -0.819 5.112 134 HA LYS 14 HA LYS 14 -2.322 -0.706 7.411 135 1HB LYS 14 HB2 LYS 14 -2.985 -1.381 5.014 136 2HB LYS 14 HB1 LYS 14 -2.250 -2.932 5.391 137 1HG LYS 14 HG2 LYS 14 -4.015 -2.229 7.510 138 2HG LYS 14 HG1 LYS 14 -4.863 -2.034 5.975 139 1HD LYS 14 HD2 LYS 14 -3.728 -4.381 5.482 140 2HD LYS 14 HD1 LYS 14 -3.753 -4.483 7.244 141 1HE LYS 14 HE2 LYS 14 -6.265 -3.597 6.741 142 2HE LYS 14 HE1 LYS 14 -5.964 -4.576 5.306 143 1HZ LYS 14 HZ1 LYS 14 -6.885 -5.573 7.583 144 2HZ LYS 14 HZ2 LYS 14 -5.227 -5.772 7.851 145 3HZ LYS 14 HZ3 LYS 14 -5.953 -6.474 6.495 146 H ILE 15 HN ILE 15 0.608 -2.181 6.579 147 HA ILE 15 HA ILE 15 0.349 -4.414 8.407 148 HB ILE 15 HB ILE 15 2.866 -3.458 7.048 149 1HG1 ILE 15 HG12 ILE 15 0.867 -5.490 6.029 150 2HG1 ILE 15 HG11 ILE 15 1.037 -3.852 5.405 151 1HG2 ILE 15 HG21 ILE 15 2.395 -6.313 7.559 152 2HG2 ILE 15 HG22 ILE 15 2.578 -5.311 8.998 153 3HG2 ILE 15 HG23 ILE 15 3.851 -5.343 7.779 154 1HD1 ILE 15 HD11 ILE 15 2.940 -6.149 5.184 155 2HD1 ILE 15 HD12 ILE 15 3.466 -4.484 4.935 156 3HD1 ILE 15 HD13 ILE 15 2.216 -5.178 3.903 157 H GLN 16 HN GLN 16 1.580 -1.164 8.417 158 HA GLN 16 HA GLN 16 2.980 -1.597 10.948 159 1HB GLN 16 HB2 GLN 16 3.478 0.050 8.747 160 2HB GLN 16 HB1 GLN 16 2.942 1.149 10.010 161 1HG GLN 16 HG2 GLN 16 5.106 -0.891 10.427 162 2HG GLN 16 HG1 GLN 16 5.419 0.749 9.862 163 1HE2 GLN 16 HE21 GLN 16 3.970 2.357 11.309 164 2HE2 GLN 16 HE22 GLN 16 4.280 2.190 13.001 165 H ASN 17 HN ASN 17 0.040 -1.703 10.723 166 HA ASN 17 HA ASN 17 -0.801 0.686 12.177 167 1HB ASN 17 HB2 ASN 17 -2.152 -0.306 10.262 168 2HB ASN 17 HB1 ASN 17 -2.539 -1.638 11.346 169 1HD2 ASN 17 HD21 ASN 17 -4.484 -1.431 12.156 170 2HD2 ASN 17 HD22 ASN 17 -5.234 0.043 12.658 171 H ASP 18 HN ASP 18 0.658 -0.091 13.970 172 HA ASP 18 HA ASP 18 -0.495 -2.245 15.571 173 1HB ASP 18 HB2 ASP 18 1.987 -0.630 16.163 174 2HB ASP 18 HB1 ASP 18 1.517 -2.170 16.876 175 H LYS 19 HN LYS 19 -1.904 0.290 15.247 176 HA LYS 19 HA LYS 19 -1.744 1.393 17.965 177 1HB LYS 19 HB2 LYS 19 -2.639 2.488 15.337 178 2HB LYS 19 HB1 LYS 19 -3.387 3.116 16.799 179 1HG LYS 19 HG2 LYS 19 -0.478 2.991 16.952 180 2HG LYS 19 HG1 LYS 19 -1.075 4.033 15.659 181 1HD LYS 19 HD2 LYS 19 -2.699 4.802 17.663 182 2HD LYS 19 HD1 LYS 19 -1.273 4.336 18.591 183 1HE LYS 19 HE2 LYS 19 0.107 5.851 17.343 184 2HE LYS 19 HE1 LYS 19 -1.214 6.212 16.233 185 1HZ LYS 19 HZ1 LYS 19 -1.001 6.960 19.094 186 2HZ LYS 19 HZ2 LYS 19 -2.438 7.096 18.212 187 3HZ LYS 19 HZ3 LYS 19 -1.079 7.993 17.756 188 1HN NH2 20 NH1 NH2 20 -2.976 -1.141 17.386 189 2HN NH2 20 NH2 NH2 20 -4.647 -1.004 17.802 Start of MODEL 17 1 1H ALA 1 HT1 ALA 1 -2.500 3.562 -17.151 2 2H ALA 1 HT2 ALA 1 -3.071 2.493 -15.936 3 3H ALA 1 HT3 ALA 1 -2.673 1.891 -17.493 4 HA ALA 1 HA ALA 1 -0.452 2.133 -17.183 5 1HB ALA 1 HB1 ALA 1 0.558 3.711 -15.916 6 2HB ALA 1 HB2 ALA 1 -0.600 3.551 -14.596 7 3HB ALA 1 HB3 ALA 1 -1.023 4.482 -16.032 8 H LYS 2 HN LYS 2 0.874 0.759 -15.954 9 HA LYS 2 HA LYS 2 -0.623 -1.061 -14.235 10 1HB LYS 2 HB2 LYS 2 1.238 -2.594 -14.532 11 2HB LYS 2 HB1 LYS 2 0.708 -1.988 -16.094 12 1HG LYS 2 HG2 LYS 2 2.585 -0.266 -15.856 13 2HG LYS 2 HG1 LYS 2 3.191 -1.304 -14.564 14 1HD LYS 2 HD2 LYS 2 2.492 -2.667 -17.083 15 2HD LYS 2 HD1 LYS 2 3.875 -1.574 -17.161 16 1HE LYS 2 HE2 LYS 2 4.738 -2.766 -15.089 17 2HE LYS 2 HE1 LYS 2 3.495 -3.979 -15.396 18 1HZ LYS 2 HZ1 LYS 2 5.581 -4.653 -16.364 19 2HZ LYS 2 HZ2 LYS 2 5.690 -3.213 -17.245 20 3HZ LYS 2 HZ3 LYS 2 4.470 -4.330 -17.599 21 H LYS 3 HN LYS 3 -0.276 1.280 -12.950 22 HA LYS 3 HA LYS 3 2.048 0.934 -11.175 23 1HB LYS 3 HB2 LYS 3 1.549 3.176 -12.277 24 2HB LYS 3 HB1 LYS 3 0.133 3.274 -11.239 25 1HG LYS 3 HG2 LYS 3 2.384 2.648 -9.619 26 2HG LYS 3 HG1 LYS 3 2.802 4.010 -10.659 27 1HD LYS 3 HD2 LYS 3 0.681 5.115 -9.935 28 2HD LYS 3 HD1 LYS 3 0.454 3.801 -8.778 29 1HE LYS 3 HE2 LYS 3 2.654 5.852 -8.854 30 2HE LYS 3 HE1 LYS 3 1.455 5.592 -7.589 31 1HZ LYS 3 HZ1 LYS 3 3.907 4.112 -8.159 32 2HZ LYS 3 HZ2 LYS 3 2.589 3.225 -7.577 33 3HZ LYS 3 HZ3 LYS 3 3.206 4.513 -6.671 34 H VAL 4 HN VAL 4 0.010 -0.923 -10.934 35 HA VAL 4 HA VAL 4 -1.762 -0.280 -8.795 36 HB VAL 4 HB VAL 4 -2.192 -2.235 -10.221 37 1HG1 VAL 4 HG11 VAL 4 0.069 -2.923 -10.694 38 2HG1 VAL 4 HG12 VAL 4 -0.805 -4.269 -9.964 39 3HG1 VAL 4 HG13 VAL 4 0.337 -3.333 -8.999 40 1HG2 VAL 4 HG21 VAL 4 -2.351 -2.161 -7.419 41 2HG2 VAL 4 HG22 VAL 4 -1.814 -3.788 -7.835 42 3HG2 VAL 4 HG23 VAL 4 -3.304 -3.147 -8.527 43 H PHE 5 HN PHE 5 1.490 -0.635 -9.097 44 HA PHE 5 HA PHE 5 2.480 -1.844 -6.869 45 1HB PHE 5 HB2 PHE 5 3.729 -0.884 -8.839 46 2HB PHE 5 HB1 PHE 5 3.523 0.701 -8.112 47 HD1 PHE 5 HD1 PHE 5 4.794 -2.692 -7.214 48 HD2 PHE 5 HD2 PHE 5 5.227 1.521 -6.803 49 HE1 PHE 5 HE1 PHE 5 6.843 -3.036 -5.897 50 HE2 PHE 5 HE2 PHE 5 7.278 1.186 -5.486 51 HZ PHE 5 HZ PHE 5 8.088 -1.095 -5.031 52 H LYS 6 HN LYS 6 0.803 1.105 -7.128 53 HA LYS 6 HA LYS 6 1.641 2.309 -4.701 54 1HB LYS 6 HB2 LYS 6 0.573 3.606 -6.492 55 2HB LYS 6 HB1 LYS 6 -0.916 2.697 -6.273 56 1HG LYS 6 HG2 LYS 6 -1.457 3.779 -4.332 57 2HG LYS 6 HG1 LYS 6 0.224 4.143 -3.938 58 1HD LYS 6 HD2 LYS 6 -0.904 5.386 -6.383 59 2HD LYS 6 HD1 LYS 6 -1.475 5.995 -4.828 60 1HE LYS 6 HE2 LYS 6 0.677 6.658 -4.172 61 2HE LYS 6 HE1 LYS 6 1.451 5.675 -5.415 62 1HZ LYS 6 HZ1 LYS 6 -0.011 7.302 -6.921 63 2HZ LYS 6 HZ2 LYS 6 1.578 7.648 -6.460 64 3HZ LYS 6 HZ3 LYS 6 0.285 8.328 -5.608 65 H ARG 7 HN ARG 7 -0.960 0.105 -5.588 66 HA ARG 7 HA ARG 7 -2.362 0.168 -3.150 67 1HB ARG 7 HB2 ARG 7 -2.268 -1.576 -5.517 68 2HB ARG 7 HB1 ARG 7 -2.729 -2.398 -4.032 69 1HG ARG 7 HG2 ARG 7 -4.793 -1.665 -4.335 70 2HG ARG 7 HG1 ARG 7 -4.205 -0.024 -4.060 71 1HD ARG 7 HD2 ARG 7 -4.030 -1.325 -6.759 72 2HD ARG 7 HD1 ARG 7 -5.496 -0.502 -6.228 73 HE ARG 7 HE ARG 7 -3.017 0.712 -7.031 74 1HH1 ARG 7 HH11 ARG 7 -5.944 1.135 -5.178 75 2HH1 ARG 7 HH12 ARG 7 -5.886 2.864 -5.246 76 1HH2 ARG 7 HH21 ARG 7 -2.938 2.987 -7.121 77 2HH2 ARG 7 HH22 ARG 7 -4.180 3.916 -6.349 78 H LEU 8 HN LEU 8 0.435 -1.679 -4.239 79 HA LEU 8 HA LEU 8 0.573 -3.456 -2.055 80 1HB LEU 8 HB2 LEU 8 2.271 -2.670 -4.290 81 2HB LEU 8 HB1 LEU 8 3.201 -3.032 -2.849 82 HG LEU 8 HG LEU 8 1.150 -5.037 -3.438 83 1HD1 LEU 8 HD11 LEU 8 2.832 -5.971 -5.242 84 2HD1 LEU 8 HD12 LEU 8 3.140 -4.253 -5.501 85 3HD1 LEU 8 HD13 LEU 8 1.507 -4.895 -5.686 86 1HD2 LEU 8 HD21 LEU 8 3.265 -4.974 -1.847 87 2HD2 LEU 8 HD22 LEU 8 4.060 -5.606 -3.289 88 3HD2 LEU 8 HD23 LEU 8 2.698 -6.474 -2.582 89 H GLU 9 HN GLU 9 1.966 -0.251 -2.614 90 HA GLU 9 HA GLU 9 3.435 -0.142 -0.194 91 1HB GLU 9 HB2 GLU 9 2.486 1.881 -2.189 92 2HB GLU 9 HB1 GLU 9 3.116 2.436 -0.643 93 1HG GLU 9 HG2 GLU 9 4.698 0.501 -2.267 94 2HG GLU 9 HG1 GLU 9 4.686 2.209 -2.704 95 H LYS 10 HN LYS 10 0.112 0.436 -1.034 96 HA LYS 10 HA LYS 10 -0.609 1.883 1.305 97 1HB LYS 10 HB2 LYS 10 -1.875 1.562 -0.978 98 2HB LYS 10 HB1 LYS 10 -2.557 0.155 -0.174 99 1HG LYS 10 HG2 LYS 10 -3.571 1.482 1.497 100 2HG LYS 10 HG1 LYS 10 -2.659 2.912 1.012 101 1HD LYS 10 HD2 LYS 10 -3.906 3.175 -0.959 102 2HD LYS 10 HD1 LYS 10 -4.548 1.533 -0.871 103 1HE LYS 10 HE2 LYS 10 -6.370 2.643 -0.097 104 2HE LYS 10 HE1 LYS 10 -5.509 2.463 1.431 105 1HZ LYS 10 HZ1 LYS 10 -4.853 4.824 -0.130 106 2HZ LYS 10 HZ2 LYS 10 -5.065 4.654 1.539 107 3HZ LYS 10 HZ3 LYS 10 -6.412 4.788 0.526 108 H LEU 11 HN LEU 11 -0.572 -1.532 0.411 109 HA LEU 11 HA LEU 11 -1.867 -2.493 2.734 110 1HB LEU 11 HB2 LEU 11 -0.950 -3.605 0.391 111 2HB LEU 11 HB1 LEU 11 0.160 -4.268 1.574 112 HG LEU 11 HG LEU 11 -1.812 -5.715 1.093 113 1HD1 LEU 11 HD11 LEU 11 -2.476 -5.695 3.704 114 2HD1 LEU 11 HD12 LEU 11 -0.968 -4.782 3.753 115 3HD1 LEU 11 HD13 LEU 11 -0.993 -6.408 3.071 116 1HD2 LEU 11 HD21 LEU 11 -3.284 -3.481 1.105 117 2HD2 LEU 11 HD22 LEU 11 -3.541 -4.001 2.771 118 3HD2 LEU 11 HD23 LEU 11 -3.957 -5.078 1.437 119 H PHE 12 HN PHE 12 1.477 -1.733 1.972 120 HA PHE 12 HA PHE 12 2.605 -2.882 4.310 121 1HB PHE 12 HB2 PHE 12 3.827 -2.193 2.171 122 2HB PHE 12 HB1 PHE 12 3.753 -0.544 2.785 123 HD1 PHE 12 HD1 PHE 12 5.656 -3.489 2.677 124 HD2 PHE 12 HD2 PHE 12 4.663 -0.227 5.223 125 HE1 PHE 12 HE1 PHE 12 7.702 -3.891 3.983 126 HE2 PHE 12 HE2 PHE 12 6.708 -0.622 6.533 127 HZ PHE 12 HZ PHE 12 8.230 -2.456 5.914 128 H SER 13 HN SER 13 1.119 0.189 3.568 129 HA SER 13 HA SER 13 1.983 1.493 5.958 130 1HB SER 13 HB2 SER 13 -0.338 2.214 4.158 131 2HB SER 13 HB1 SER 13 0.446 3.271 5.332 132 HG SER 13 HG SER 13 1.092 2.914 2.804 133 H LYS 14 HN LYS 14 -0.450 -0.745 5.189 134 HA LYS 14 HA LYS 14 -2.159 -0.066 7.415 135 1HB LYS 14 HB2 LYS 14 -2.208 -2.360 5.457 136 2HB LYS 14 HB1 LYS 14 -3.388 -2.154 6.744 137 1HG LYS 14 HG2 LYS 14 -2.885 -0.213 4.497 138 2HG LYS 14 HG1 LYS 14 -4.231 -1.349 4.602 139 1HD LYS 14 HD2 LYS 14 -4.697 -0.188 6.878 140 2HD LYS 14 HD1 LYS 14 -3.694 1.109 6.225 141 1HE LYS 14 HE2 LYS 14 -5.636 1.861 5.379 142 2HE LYS 14 HE1 LYS 14 -5.347 0.648 4.134 143 1HZ LYS 14 HZ1 LYS 14 -7.014 0.296 6.567 144 2HZ LYS 14 HZ2 LYS 14 -6.698 -0.911 5.425 145 3HZ LYS 14 HZ3 LYS 14 -7.581 0.461 4.981 146 H ILE 15 HN ILE 15 0.528 -2.064 6.776 147 HA ILE 15 HA ILE 15 0.111 -3.805 9.053 148 HB ILE 15 HB ILE 15 2.579 -3.553 7.332 149 1HG1 ILE 15 HG12 ILE 15 0.566 -5.742 7.005 150 2HG1 ILE 15 HG11 ILE 15 0.252 -4.182 6.254 151 1HG2 ILE 15 HG21 ILE 15 3.168 -5.719 8.172 152 2HG2 ILE 15 HG22 ILE 15 1.635 -5.854 9.033 153 3HG2 ILE 15 HG23 ILE 15 2.832 -4.664 9.544 154 1HD1 ILE 15 HD11 ILE 15 2.792 -4.616 5.454 155 2HD1 ILE 15 HD12 ILE 15 1.362 -5.080 4.531 156 3HD1 ILE 15 HD13 ILE 15 2.183 -6.269 5.544 157 H GLN 16 HN GLN 16 1.852 -0.890 8.266 158 HA GLN 16 HA GLN 16 3.325 -0.989 10.793 159 1HB GLN 16 HB2 GLN 16 4.171 -0.210 8.364 160 2HB GLN 16 HB1 GLN 16 3.597 1.337 8.972 161 1HG GLN 16 HG2 GLN 16 5.151 1.383 10.691 162 2HG GLN 16 HG1 GLN 16 5.433 -0.355 10.614 163 1HE2 GLN 16 HE21 GLN 16 5.364 1.973 7.969 164 2HE2 GLN 16 HE22 GLN 16 7.007 1.748 7.486 165 H ASN 17 HN ASN 17 0.507 -0.682 10.925 166 HA ASN 17 HA ASN 17 0.085 2.140 11.554 167 1HB ASN 17 HB2 ASN 17 -1.568 0.137 10.504 168 2HB ASN 17 HB1 ASN 17 -2.171 0.414 12.134 169 1HD2 ASN 17 HD21 ASN 17 -3.250 2.256 12.589 170 2HD2 ASN 17 HD22 ASN 17 -3.611 3.480 11.425 171 H ASP 18 HN ASP 18 -1.507 2.322 13.590 172 HA ASP 18 HA ASP 18 0.111 1.558 15.836 173 1HB ASP 18 HB2 ASP 18 -1.260 3.738 15.499 174 2HB ASP 18 HB1 ASP 18 -2.625 2.780 16.065 175 H LYS 19 HN LYS 19 -2.945 0.545 14.442 176 HA LYS 19 HA LYS 19 -3.465 -1.282 16.648 177 1HB LYS 19 HB2 LYS 19 -4.999 -0.457 14.201 178 2HB LYS 19 HB1 LYS 19 -5.471 -1.881 15.118 179 1HG LYS 19 HG2 LYS 19 -6.540 -0.627 16.591 180 2HG LYS 19 HG1 LYS 19 -5.074 0.299 16.919 181 1HD LYS 19 HD2 LYS 19 -6.889 0.828 14.572 182 2HD LYS 19 HD1 LYS 19 -7.042 1.649 16.126 183 1HE LYS 19 HE2 LYS 19 -4.328 1.816 15.380 184 2HE LYS 19 HE1 LYS 19 -5.273 2.215 13.946 185 1HZ LYS 19 HZ1 LYS 19 -6.519 3.817 15.348 186 2HZ LYS 19 HZ2 LYS 19 -4.883 4.205 15.165 187 3HZ LYS 19 HZ3 LYS 19 -5.431 3.515 16.608 188 1HN NH2 20 NH1 NH2 20 -2.393 -1.321 13.332 189 2HN NH2 20 NH2 NH2 20 -2.066 -3.014 13.239 Start of MODEL 18 1 1H ALA 1 HT1 ALA 1 -4.497 -0.348 -14.906 2 2H ALA 1 HT2 ALA 1 -3.618 -0.979 -16.238 3 3H ALA 1 HT3 ALA 1 -4.548 0.452 -16.421 4 HA ALA 1 HA ALA 1 -2.423 1.207 -16.260 5 1HB ALA 1 HB1 ALA 1 -3.460 2.665 -14.872 6 2HB ALA 1 HB2 ALA 1 -2.366 1.942 -13.693 7 3HB ALA 1 HB3 ALA 1 -4.040 1.397 -13.792 8 H LYS 2 HN LYS 2 -0.329 0.738 -15.973 9 HA LYS 2 HA LYS 2 0.329 -1.683 -14.481 10 1HB LYS 2 HB2 LYS 2 1.084 -1.264 -16.880 11 2HB LYS 2 HB1 LYS 2 2.191 -0.070 -16.218 12 1HG LYS 2 HG2 LYS 2 3.116 -1.907 -14.762 13 2HG LYS 2 HG1 LYS 2 2.167 -3.034 -15.734 14 1HD LYS 2 HD2 LYS 2 4.023 -3.122 -17.006 15 2HD LYS 2 HD1 LYS 2 3.410 -1.607 -17.673 16 1HE LYS 2 HE2 LYS 2 4.722 -0.576 -15.633 17 2HE LYS 2 HE1 LYS 2 5.633 -2.081 -15.748 18 1HZ LYS 2 HZ1 LYS 2 6.532 -1.495 -17.727 19 2HZ LYS 2 HZ2 LYS 2 6.284 0.063 -17.118 20 3HZ LYS 2 HZ3 LYS 2 5.185 -0.597 -18.222 21 H LYS 3 HN LYS 3 -0.317 0.304 -12.769 22 HA LYS 3 HA LYS 3 2.219 0.759 -11.407 23 1HB LYS 3 HB2 LYS 3 1.776 2.796 -12.827 24 2HB LYS 3 HB1 LYS 3 0.309 3.057 -11.893 25 1HG LYS 3 HG2 LYS 3 1.587 4.334 -10.590 26 2HG LYS 3 HG1 LYS 3 2.194 2.813 -9.932 27 1HD LYS 3 HD2 LYS 3 4.160 2.927 -11.122 28 2HD LYS 3 HD1 LYS 3 3.456 3.927 -12.393 29 1HE LYS 3 HE2 LYS 3 5.039 5.200 -11.037 30 2HE LYS 3 HE1 LYS 3 3.402 5.835 -10.877 31 1HZ LYS 3 HZ1 LYS 3 3.487 4.088 -8.857 32 2HZ LYS 3 HZ2 LYS 3 3.869 5.728 -8.700 33 3HZ LYS 3 HZ3 LYS 3 5.103 4.589 -8.894 34 H VAL 4 HN VAL 4 0.152 -1.009 -10.861 35 HA VAL 4 HA VAL 4 -1.546 0.012 -8.798 36 HB VAL 4 HB VAL 4 -2.122 -2.084 -9.943 37 1HG1 VAL 4 HG11 VAL 4 -0.630 -4.090 -8.918 38 2HG1 VAL 4 HG12 VAL 4 0.590 -2.827 -9.078 39 3HG1 VAL 4 HG13 VAL 4 -0.336 -3.342 -10.487 40 1HG2 VAL 4 HG21 VAL 4 -1.600 -3.114 -7.233 41 2HG2 VAL 4 HG22 VAL 4 -3.113 -2.984 -8.128 42 3HG2 VAL 4 HG23 VAL 4 -2.445 -1.568 -7.316 43 H PHE 5 HN PHE 5 1.672 -0.471 -9.125 44 HA PHE 5 HA PHE 5 2.713 -1.483 -6.834 45 1HB PHE 5 HB2 PHE 5 3.939 -0.742 -8.883 46 2HB PHE 5 HB1 PHE 5 3.720 0.919 -8.359 47 HD1 PHE 5 HD1 PHE 5 5.495 1.908 -7.296 48 HD2 PHE 5 HD2 PHE 5 4.988 -2.304 -6.954 49 HE1 PHE 5 HE1 PHE 5 7.570 1.769 -5.981 50 HE2 PHE 5 HE2 PHE 5 7.062 -2.450 -5.638 51 HZ PHE 5 HZ PHE 5 8.356 -0.412 -5.149 52 H LYS 6 HN LYS 6 1.068 1.466 -7.273 53 HA LYS 6 HA LYS 6 2.004 2.812 -4.948 54 1HB LYS 6 HB2 LYS 6 0.485 3.539 -7.119 55 2HB LYS 6 HB1 LYS 6 -0.716 3.483 -5.837 56 1HG LYS 6 HG2 LYS 6 0.040 5.690 -5.852 57 2HG LYS 6 HG1 LYS 6 0.885 4.940 -4.497 58 1HD LYS 6 HD2 LYS 6 2.915 5.014 -5.544 59 2HD LYS 6 HD1 LYS 6 2.208 4.889 -7.156 60 1HE LYS 6 HE2 LYS 6 2.554 7.079 -7.359 61 2HE LYS 6 HE1 LYS 6 1.261 7.307 -6.183 62 1HZ LYS 6 HZ1 LYS 6 2.718 7.767 -4.531 63 2HZ LYS 6 HZ2 LYS 6 3.681 8.274 -5.826 64 3HZ LYS 6 HZ3 LYS 6 3.927 6.749 -5.136 65 H ARG 7 HN ARG 7 -0.732 0.703 -5.661 66 HA ARG 7 HA ARG 7 -2.045 0.969 -3.185 67 1HB ARG 7 HB2 ARG 7 -2.082 -1.012 -5.406 68 2HB ARG 7 HB1 ARG 7 -2.751 -1.516 -3.859 69 1HG ARG 7 HG2 ARG 7 -4.336 0.290 -3.896 70 2HG ARG 7 HG1 ARG 7 -3.603 0.951 -5.359 71 1HD ARG 7 HD2 ARG 7 -5.271 -0.200 -6.360 72 2HD ARG 7 HD1 ARG 7 -4.128 -1.534 -6.213 73 HE ARG 7 HE ARG 7 -5.499 -1.678 -3.900 74 1HH1 ARG 7 HH11 ARG 7 -6.522 -1.465 -7.231 75 2HH1 ARG 7 HH12 ARG 7 -7.986 -2.351 -6.968 76 1HH2 ARG 7 HH21 ARG 7 -7.424 -2.843 -3.553 77 2HH2 ARG 7 HH22 ARG 7 -8.498 -3.133 -4.880 78 H LEU 8 HN LEU 8 0.679 -0.948 -4.248 79 HA LEU 8 HA LEU 8 0.765 -2.748 -2.076 80 1HB LEU 8 HB2 LEU 8 2.056 -2.765 -4.332 81 2HB LEU 8 HB1 LEU 8 3.222 -1.761 -3.490 82 HG LEU 8 HG LEU 8 3.074 -3.748 -1.715 83 1HD1 LEU 8 HD11 LEU 8 2.795 -5.883 -2.735 84 2HD1 LEU 8 HD12 LEU 8 2.609 -5.160 -4.333 85 3HD1 LEU 8 HD13 LEU 8 1.362 -4.925 -3.108 86 1HD2 LEU 8 HD21 LEU 8 5.098 -4.615 -2.655 87 2HD2 LEU 8 HD22 LEU 8 5.073 -2.871 -2.915 88 3HD2 LEU 8 HD23 LEU 8 4.696 -3.967 -4.245 89 H GLU 9 HN GLU 9 1.938 0.524 -2.530 90 HA GLU 9 HA GLU 9 3.555 0.592 -0.186 91 1HB GLU 9 HB2 GLU 9 3.267 2.237 -2.334 92 2HB GLU 9 HB1 GLU 9 2.367 3.131 -1.118 93 1HG GLU 9 HG2 GLU 9 4.268 3.275 0.301 94 2HG GLU 9 HG1 GLU 9 5.174 2.144 -0.703 95 H LYS 10 HN LYS 10 0.179 1.240 -0.880 96 HA LYS 10 HA LYS 10 -0.405 2.455 1.626 97 1HB LYS 10 HB2 LYS 10 -2.534 2.663 0.849 98 2HB LYS 10 HB1 LYS 10 -1.764 2.308 -0.688 99 1HG LYS 10 HG2 LYS 10 -2.317 -0.181 0.021 100 2HG LYS 10 HG1 LYS 10 -3.561 0.632 0.971 101 1HD LYS 10 HD2 LYS 10 -3.326 1.580 -1.795 102 2HD LYS 10 HD1 LYS 10 -3.823 -0.106 -1.640 103 1HE LYS 10 HE2 LYS 10 -5.890 0.643 -1.292 104 2HE LYS 10 HE1 LYS 10 -5.327 1.235 0.270 105 1HZ LYS 10 HZ1 LYS 10 -4.895 2.913 -2.093 106 2HZ LYS 10 HZ2 LYS 10 -5.174 3.365 -0.487 107 3HZ LYS 10 HZ3 LYS 10 -6.457 2.827 -1.449 108 H LEU 11 HN LEU 11 -0.254 -0.824 0.439 109 HA LEU 11 HA LEU 11 -1.602 -2.071 2.592 110 1HB LEU 11 HB2 LEU 11 -0.139 -2.874 0.246 111 2HB LEU 11 HB1 LEU 11 0.367 -3.842 1.618 112 HG LEU 11 HG LEU 11 -1.404 -4.988 0.469 113 1HD1 LEU 11 HD11 LEU 11 -2.715 -3.808 2.894 114 2HD1 LEU 11 HD12 LEU 11 -1.323 -4.882 3.024 115 3HD1 LEU 11 HD13 LEU 11 -2.812 -5.455 2.272 116 1HD2 LEU 11 HD21 LEU 11 -3.638 -3.999 0.232 117 2HD2 LEU 11 HD22 LEU 11 -2.418 -3.098 -0.668 118 3HD2 LEU 11 HD23 LEU 11 -3.022 -2.474 0.867 119 H PHE 12 HN PHE 12 1.715 -1.034 2.079 120 HA PHE 12 HA PHE 12 2.858 -2.376 4.289 121 1HB PHE 12 HB2 PHE 12 4.154 -1.340 2.413 122 2HB PHE 12 HB1 PHE 12 3.753 0.245 3.066 123 HD1 PHE 12 HD1 PHE 12 5.735 -2.788 3.532 124 HD2 PHE 12 HD2 PHE 12 4.784 1.055 5.093 125 HE1 PHE 12 HE1 PHE 12 7.704 -2.902 5.003 126 HE2 PHE 12 HE2 PHE 12 6.752 0.948 6.566 127 HZ PHE 12 HZ PHE 12 8.215 -1.032 6.522 128 H SER 13 HN SER 13 1.133 0.648 3.938 129 HA SER 13 HA SER 13 1.754 1.639 6.534 130 1HB SER 13 HB2 SER 13 -0.207 2.379 4.398 131 2HB SER 13 HB1 SER 13 -0.414 3.043 6.018 132 HG SER 13 HG SER 13 1.916 3.253 4.408 133 H LYS 14 HN LYS 14 -0.342 -0.746 5.365 134 HA LYS 14 HA LYS 14 -2.211 -0.596 7.558 135 1HB LYS 14 HB2 LYS 14 -2.166 -1.827 4.994 136 2HB LYS 14 HB1 LYS 14 -2.390 -3.095 6.191 137 1HG LYS 14 HG2 LYS 14 -4.059 -0.606 6.212 138 2HG LYS 14 HG1 LYS 14 -4.471 -1.997 5.207 139 1HD LYS 14 HD2 LYS 14 -5.134 -3.236 6.971 140 2HD LYS 14 HD1 LYS 14 -3.853 -2.618 8.015 141 1HE LYS 14 HE2 LYS 14 -6.040 -0.763 7.241 142 2HE LYS 14 HE1 LYS 14 -6.406 -2.025 8.417 143 1HZ LYS 14 HZ1 LYS 14 -5.132 -1.059 9.981 144 2HZ LYS 14 HZ2 LYS 14 -5.401 0.343 9.074 145 3HZ LYS 14 HZ3 LYS 14 -3.962 -0.525 8.881 146 H ILE 15 HN ILE 15 0.773 -2.076 6.872 147 HA ILE 15 HA ILE 15 0.504 -4.171 8.855 148 HB ILE 15 HB ILE 15 3.022 -3.305 7.437 149 1HG1 ILE 15 HG12 ILE 15 1.177 -5.536 6.583 150 2HG1 ILE 15 HG11 ILE 15 1.074 -3.913 5.908 151 1HG2 ILE 15 HG21 ILE 15 2.554 -6.107 8.221 152 2HG2 ILE 15 HG22 ILE 15 2.787 -4.962 9.542 153 3HG2 ILE 15 HG23 ILE 15 4.023 -5.135 8.296 154 1HD1 ILE 15 HD11 ILE 15 3.355 -5.852 5.704 155 2HD1 ILE 15 HD12 ILE 15 3.483 -4.153 5.246 156 3HD1 ILE 15 HD13 ILE 15 2.349 -5.210 4.405 157 H GLN 16 HN GLN 16 1.835 -0.956 8.595 158 HA GLN 16 HA GLN 16 3.140 -1.187 11.200 159 1HB GLN 16 HB2 GLN 16 4.300 -0.087 9.268 160 2HB GLN 16 HB1 GLN 16 3.085 1.183 9.328 161 1HG GLN 16 HG2 GLN 16 3.825 1.939 11.426 162 2HG GLN 16 HG1 GLN 16 4.783 0.484 11.700 163 1HE2 GLN 16 HE21 GLN 16 5.506 3.356 11.682 164 2HE2 GLN 16 HE22 GLN 16 6.809 3.490 10.556 165 H ASN 17 HN ASN 17 0.254 0.022 9.767 166 HA ASN 17 HA ASN 17 -0.317 1.765 12.040 167 1HB ASN 17 HB2 ASN 17 -0.801 2.543 9.721 168 2HB ASN 17 HB1 ASN 17 -1.987 1.250 9.571 169 1HD2 ASN 17 HD21 ASN 17 -3.979 1.905 9.851 170 2HD2 ASN 17 HD22 ASN 17 -4.504 3.173 10.901 171 H ASP 18 HN ASP 18 -0.154 -1.048 12.530 172 HA ASP 18 HA ASP 18 -2.930 -1.889 12.874 173 1HB ASP 18 HB2 ASP 18 -0.786 -3.330 12.114 174 2HB ASP 18 HB1 ASP 18 -0.715 -3.602 13.852 175 H LYS 19 HN LYS 19 -1.775 0.315 14.439 176 HA LYS 19 HA LYS 19 -1.298 -0.659 17.089 177 1HB LYS 19 HB2 LYS 19 -0.852 1.727 15.772 178 2HB LYS 19 HB1 LYS 19 -2.156 2.130 16.880 179 1HG LYS 19 HG2 LYS 19 -0.707 1.023 18.681 180 2HG LYS 19 HG1 LYS 19 0.604 1.152 17.506 181 1HD LYS 19 HD2 LYS 19 0.095 3.599 17.339 182 2HD LYS 19 HD1 LYS 19 -1.032 3.395 18.681 183 1HE LYS 19 HE2 LYS 19 0.887 2.452 20.006 184 2HE LYS 19 HE1 LYS 19 1.948 2.961 18.693 185 1HZ LYS 19 HZ1 LYS 19 2.075 4.827 19.914 186 2HZ LYS 19 HZ2 LYS 19 0.614 4.551 20.719 187 3HZ LYS 19 HZ3 LYS 19 0.609 5.215 19.163 188 1HN NH2 20 NH1 NH2 20 -3.891 1.426 15.835 189 2HN NH2 20 NH2 NH2 20 -5.128 0.811 16.872 Start of MODEL 19 1 1H ALA 1 HT1 ALA 1 -3.262 -0.941 -16.230 2 2H ALA 1 HT2 ALA 1 -1.739 -0.952 -17.021 3 3H ALA 1 HT3 ALA 1 -2.895 0.260 -17.396 4 HA ALA 1 HA ALA 1 -1.441 1.336 -16.053 5 1HB ALA 1 HB1 ALA 1 -3.576 1.856 -15.253 6 2HB ALA 1 HB2 ALA 1 -2.652 1.460 -13.804 7 3HB ALA 1 HB3 ALA 1 -3.771 0.280 -14.485 8 H LYS 2 HN LYS 2 0.578 0.662 -15.622 9 HA LYS 2 HA LYS 2 0.963 -1.560 -13.751 10 1HB LYS 2 HB2 LYS 2 2.130 -1.567 -15.977 11 2HB LYS 2 HB1 LYS 2 3.044 -0.164 -15.439 12 1HG LYS 2 HG2 LYS 2 4.427 -1.394 -14.187 13 2HG LYS 2 HG1 LYS 2 3.122 -2.410 -13.571 14 1HD LYS 2 HD2 LYS 2 3.212 -3.842 -15.429 15 2HD LYS 2 HD1 LYS 2 4.140 -2.683 -16.384 16 1HE LYS 2 HE2 LYS 2 6.089 -3.037 -15.045 17 2HE LYS 2 HE1 LYS 2 5.180 -4.007 -13.886 18 1HZ LYS 2 HZ1 LYS 2 6.120 -5.649 -15.116 19 2HZ LYS 2 HZ2 LYS 2 6.181 -4.731 -16.536 20 3HZ LYS 2 HZ3 LYS 2 4.720 -5.423 -16.039 21 H LYS 3 HN LYS 3 0.030 0.666 -12.516 22 HA LYS 3 HA LYS 3 2.361 1.484 -10.929 23 1HB LYS 3 HB2 LYS 3 1.462 3.790 -10.777 24 2HB LYS 3 HB1 LYS 3 1.944 3.360 -12.412 25 1HG LYS 3 HG2 LYS 3 -0.066 3.889 -13.161 26 2HG LYS 3 HG1 LYS 3 -0.795 2.685 -12.098 27 1HD LYS 3 HD2 LYS 3 -0.762 4.369 -10.268 28 2HD LYS 3 HD1 LYS 3 -0.184 5.563 -11.432 29 1HE LYS 3 HE2 LYS 3 -2.514 5.885 -11.296 30 2HE LYS 3 HE1 LYS 3 -2.241 5.016 -12.805 31 1HZ LYS 3 HZ1 LYS 3 -3.600 4.155 -10.391 32 2HZ LYS 3 HZ2 LYS 3 -2.613 2.990 -11.119 33 3HZ LYS 3 HZ3 LYS 3 -3.864 3.709 -12.002 34 H VAL 4 HN VAL 4 0.476 -0.514 -10.423 35 HA VAL 4 HA VAL 4 -1.449 0.438 -8.516 36 HB VAL 4 HB VAL 4 -0.307 -2.354 -8.772 37 1HG1 VAL 4 HG11 VAL 4 -2.640 -2.886 -7.806 38 2HG1 VAL 4 HG12 VAL 4 -2.650 -1.194 -7.311 39 3HG1 VAL 4 HG13 VAL 4 -1.392 -2.279 -6.718 40 1HG2 VAL 4 HG21 VAL 4 -1.273 -1.632 -10.892 41 2HG2 VAL 4 HG22 VAL 4 -2.765 -1.178 -10.069 42 3HG2 VAL 4 HG23 VAL 4 -2.274 -2.871 -10.135 43 H PHE 5 HN PHE 5 1.798 0.265 -8.647 44 HA PHE 5 HA PHE 5 2.847 -0.653 -6.345 45 1HB PHE 5 HB2 PHE 5 4.096 0.289 -8.259 46 2HB PHE 5 HB1 PHE 5 3.575 1.898 -7.783 47 HD1 PHE 5 HD1 PHE 5 5.152 -1.051 -6.110 48 HD2 PHE 5 HD2 PHE 5 5.177 3.157 -6.745 49 HE1 PHE 5 HE1 PHE 5 7.123 -0.847 -4.651 50 HE2 PHE 5 HE2 PHE 5 7.148 3.369 -5.288 51 HZ PHE 5 HZ PHE 5 8.124 1.366 -4.239 52 H LYS 6 HN LYS 6 0.883 2.108 -6.747 53 HA LYS 6 HA LYS 6 1.532 3.359 -4.259 54 1HB LYS 6 HB2 LYS 6 -0.054 3.991 -6.540 55 2HB LYS 6 HB1 LYS 6 -1.097 4.091 -5.128 56 1HG LYS 6 HG2 LYS 6 -0.245 6.240 -5.361 57 2HG LYS 6 HG1 LYS 6 0.750 5.524 -4.092 58 1HD LYS 6 HD2 LYS 6 2.070 4.875 -6.448 59 2HD LYS 6 HD1 LYS 6 1.512 6.529 -6.705 60 1HE LYS 6 HE2 LYS 6 2.696 5.997 -4.065 61 2HE LYS 6 HE1 LYS 6 3.808 5.864 -5.426 62 1HZ LYS 6 HZ1 LYS 6 3.749 8.107 -4.504 63 2HZ LYS 6 HZ2 LYS 6 2.096 8.219 -4.844 64 3HZ LYS 6 HZ3 LYS 6 3.211 8.090 -6.108 65 H ARG 7 HN ARG 7 -1.086 1.273 -5.412 66 HA ARG 7 HA ARG 7 -2.486 1.194 -2.951 67 1HB ARG 7 HB2 ARG 7 -2.514 -0.393 -5.474 68 2HB ARG 7 HB1 ARG 7 -3.239 -1.117 -4.045 69 1HG ARG 7 HG2 ARG 7 -4.633 0.951 -3.814 70 2HG ARG 7 HG1 ARG 7 -4.014 1.459 -5.387 71 1HD ARG 7 HD2 ARG 7 -5.075 -0.291 -6.505 72 2HD ARG 7 HD1 ARG 7 -5.286 -1.230 -5.028 73 HE ARG 7 HE ARG 7 -7.018 0.831 -6.038 74 1HH1 ARG 7 HH11 ARG 7 -5.994 -0.907 -3.190 75 2HH1 ARG 7 HH12 ARG 7 -7.459 -0.599 -2.322 76 1HH2 ARG 7 HH21 ARG 7 -8.946 1.240 -4.898 77 2HH2 ARG 7 HH22 ARG 7 -9.137 0.620 -3.292 78 H LEU 8 HN LEU 8 0.240 -0.539 -4.270 79 HA LEU 8 HA LEU 8 0.257 -2.691 -2.430 80 1HB LEU 8 HB2 LEU 8 1.586 -2.271 -4.675 81 2HB LEU 8 HB1 LEU 8 2.785 -1.599 -3.587 82 HG LEU 8 HG LEU 8 2.186 -4.024 -2.411 83 1HD1 LEU 8 HD11 LEU 8 1.041 -5.116 -4.046 84 2HD1 LEU 8 HD12 LEU 8 2.686 -5.487 -4.561 85 3HD1 LEU 8 HD13 LEU 8 1.788 -4.188 -5.346 86 1HD2 LEU 8 HD21 LEU 8 4.381 -3.193 -4.294 87 2HD2 LEU 8 HD22 LEU 8 4.393 -4.720 -3.412 88 3HD2 LEU 8 HD23 LEU 8 4.400 -3.193 -2.530 89 H GLU 9 HN GLU 9 1.545 0.580 -2.378 90 HA GLU 9 HA GLU 9 3.120 0.230 -0.028 91 1HB GLU 9 HB2 GLU 9 3.356 2.087 -1.749 92 2HB GLU 9 HB1 GLU 9 1.936 2.825 -1.021 93 1HG GLU 9 HG2 GLU 9 3.300 3.863 0.376 94 2HG GLU 9 HG1 GLU 9 3.622 2.298 1.121 95 H LYS 10 HN LYS 10 -0.215 1.064 -0.676 96 HA LYS 10 HA LYS 10 -0.838 1.939 1.963 97 1HB LYS 10 HB2 LYS 10 -2.233 1.582 -0.542 98 2HB LYS 10 HB1 LYS 10 -3.189 0.933 0.783 99 1HG LYS 10 HG2 LYS 10 -3.604 2.963 1.656 100 2HG LYS 10 HG1 LYS 10 -2.000 3.581 1.259 101 1HD LYS 10 HD2 LYS 10 -3.172 4.800 -0.247 102 2HD LYS 10 HD1 LYS 10 -3.007 3.334 -1.215 103 1HE LYS 10 HE2 LYS 10 -5.199 2.573 -0.395 104 2HE LYS 10 HE1 LYS 10 -5.362 4.071 0.520 105 1HZ LYS 10 HZ1 LYS 10 -6.340 3.757 -1.915 106 2HZ LYS 10 HZ2 LYS 10 -4.806 4.340 -2.325 107 3HZ LYS 10 HZ3 LYS 10 -5.819 5.257 -1.328 108 H LEU 11 HN LEU 11 -0.791 -1.150 0.318 109 HA LEU 11 HA LEU 11 -2.204 -2.596 2.320 110 1HB LEU 11 HB2 LEU 11 -0.797 -3.181 -0.161 111 2HB LEU 11 HB1 LEU 11 -0.523 -4.414 1.055 112 HG LEU 11 HG LEU 11 -3.123 -4.372 1.304 113 1HD1 LEU 11 HD11 LEU 11 -2.640 -2.903 -1.245 114 2HD1 LEU 11 HD12 LEU 11 -3.863 -2.635 -0.003 115 3HD1 LEU 11 HD13 LEU 11 -4.023 -3.990 -1.120 116 1HD2 LEU 11 HD21 LEU 11 -3.186 -5.908 -0.818 117 2HD2 LEU 11 HD22 LEU 11 -2.255 -6.379 0.604 118 3HD2 LEU 11 HD23 LEU 11 -1.439 -5.666 -0.788 119 H PHE 12 HN PHE 12 1.162 -1.759 1.784 120 HA PHE 12 HA PHE 12 2.227 -3.487 3.777 121 1HB PHE 12 HB2 PHE 12 3.479 -2.332 1.851 122 2HB PHE 12 HB1 PHE 12 3.487 -0.900 2.874 123 HD1 PHE 12 HD1 PHE 12 3.981 -4.495 3.712 124 HD2 PHE 12 HD2 PHE 12 5.662 -0.587 3.574 125 HE1 PHE 12 HE1 PHE 12 5.998 -5.327 4.849 126 HE2 PHE 12 HE2 PHE 12 7.683 -1.412 4.710 127 HZ PHE 12 HZ PHE 12 7.853 -3.785 5.349 128 H SER 13 HN SER 13 0.871 -0.265 3.775 129 HA SER 13 HA SER 13 1.742 0.374 6.426 130 1HB SER 13 HB2 SER 13 0.074 1.660 4.350 131 2HB SER 13 HB1 SER 13 -0.322 2.082 6.015 132 HG SER 13 HG SER 13 1.878 2.669 6.296 133 H LYS 14 HN LYS 14 -0.739 -1.510 5.102 134 HA LYS 14 HA LYS 14 -2.505 -1.285 7.378 135 1HB LYS 14 HB2 LYS 14 -2.587 -2.646 4.745 136 2HB LYS 14 HB1 LYS 14 -3.510 -3.386 6.045 137 1HG LYS 14 HG2 LYS 14 -3.797 -0.562 5.042 138 2HG LYS 14 HG1 LYS 14 -4.908 -1.901 4.747 139 1HD LYS 14 HD2 LYS 14 -4.456 -1.643 7.564 140 2HD LYS 14 HD1 LYS 14 -4.914 -0.074 6.899 141 1HE LYS 14 HE2 LYS 14 -6.950 -0.905 6.064 142 2HE LYS 14 HE1 LYS 14 -6.439 -2.581 6.257 143 1HZ LYS 14 HZ1 LYS 14 -6.740 -2.491 8.541 144 2HZ LYS 14 HZ2 LYS 14 -8.056 -1.603 7.957 145 3HZ LYS 14 HZ3 LYS 14 -6.711 -0.800 8.596 146 H ILE 15 HN ILE 15 0.107 -3.217 6.333 147 HA ILE 15 HA ILE 15 -0.460 -5.412 8.138 148 HB ILE 15 HB ILE 15 2.054 -4.900 6.545 149 1HG1 ILE 15 HG12 ILE 15 -0.062 -6.862 5.743 150 2HG1 ILE 15 HG11 ILE 15 -0.262 -5.162 5.329 151 1HG2 ILE 15 HG21 ILE 15 2.195 -7.443 6.778 152 2HG2 ILE 15 HG22 ILE 15 1.000 -7.263 8.064 153 3HG2 ILE 15 HG23 ILE 15 2.570 -6.470 8.201 154 1HD1 ILE 15 HD11 ILE 15 0.756 -5.999 3.452 155 2HD1 ILE 15 HD12 ILE 15 1.765 -7.120 4.367 156 3HD1 ILE 15 HD13 ILE 15 2.138 -5.396 4.365 157 H GLN 16 HN GLN 16 1.469 -2.506 8.058 158 HA GLN 16 HA GLN 16 2.656 -3.226 10.654 159 1HB GLN 16 HB2 GLN 16 3.927 -2.345 8.400 160 2HB GLN 16 HB1 GLN 16 3.693 -0.841 9.279 161 1HG GLN 16 HG2 GLN 16 5.501 -1.321 10.454 162 2HG GLN 16 HG1 GLN 16 4.617 -2.663 11.177 163 1HE2 GLN 16 HE21 GLN 16 7.480 -2.238 10.343 164 2HE2 GLN 16 HE22 GLN 16 7.854 -3.621 9.378 165 H ASN 17 HN ASN 17 -0.033 -2.337 10.450 166 HA ASN 17 HA ASN 17 -0.391 0.402 10.883 167 1HB ASN 17 HB2 ASN 17 -2.524 -0.262 11.989 168 2HB ASN 17 HB1 ASN 17 -2.282 -1.035 10.425 169 1HD2 ASN 17 HD21 ASN 17 -3.898 -1.812 12.766 170 2HD2 ASN 17 HD22 ASN 17 -3.384 -3.412 13.167 171 H ASP 18 HN ASP 18 0.354 1.656 12.447 172 HA ASP 18 HA ASP 18 1.280 0.472 14.941 173 1HB ASP 18 HB2 ASP 18 2.157 2.796 15.370 174 2HB ASP 18 HB1 ASP 18 2.816 2.009 13.939 175 H LYS 19 HN LYS 19 -0.951 3.017 13.861 176 HA LYS 19 HA LYS 19 -2.113 3.093 16.553 177 1HB LYS 19 HB2 LYS 19 -1.548 5.093 14.625 178 2HB LYS 19 HB1 LYS 19 -3.297 5.011 14.781 179 1HG LYS 19 HG2 LYS 19 -2.441 6.646 16.311 180 2HG LYS 19 HG1 LYS 19 -3.053 5.267 17.226 181 1HD LYS 19 HD2 LYS 19 -0.902 4.512 17.750 182 2HD LYS 19 HD1 LYS 19 -0.157 5.472 16.470 183 1HE LYS 19 HE2 LYS 19 -0.969 7.514 17.765 184 2HE LYS 19 HE1 LYS 19 -1.274 6.403 19.100 185 1HZ LYS 19 HZ1 LYS 19 1.357 6.249 17.867 186 2HZ LYS 19 HZ2 LYS 19 0.916 6.136 19.496 187 3HZ LYS 19 HZ3 LYS 19 1.033 7.652 18.756 188 1HN NH2 20 NH1 NH2 20 -4.017 2.207 16.958 189 2HN NH2 20 NH2 NH2 20 -5.160 1.664 15.782 Start of MODEL 20 1 1H ALA 1 HT1 ALA 1 0.295 2.268 -16.381 2 2H ALA 1 HT2 ALA 1 -0.354 2.335 -14.794 3 3H ALA 1 HT3 ALA 1 -1.220 3.022 -16.107 4 HA ALA 1 HA ALA 1 -2.290 1.070 -15.727 5 1HB ALA 1 HB1 ALA 1 -1.356 -0.459 -17.625 6 2HB ALA 1 HB2 ALA 1 -0.299 0.916 -17.944 7 3HB ALA 1 HB3 ALA 1 -2.050 1.115 -18.015 8 H LYS 2 HN LYS 2 1.134 0.147 -16.144 9 HA LYS 2 HA LYS 2 0.697 -2.158 -14.408 10 1HB LYS 2 HB2 LYS 2 2.936 -2.866 -15.131 11 2HB LYS 2 HB1 LYS 2 1.884 -2.542 -16.503 12 1HG LYS 2 HG2 LYS 2 3.114 -0.121 -16.094 13 2HG LYS 2 HG1 LYS 2 4.389 -1.284 -15.727 14 1HD LYS 2 HD2 LYS 2 2.771 -1.779 -18.159 15 2HD LYS 2 HD1 LYS 2 3.891 -0.416 -18.204 16 1HE LYS 2 HE2 LYS 2 4.748 -3.146 -17.294 17 2HE LYS 2 HE1 LYS 2 4.751 -2.691 -18.998 18 1HZ LYS 2 HZ1 LYS 2 6.137 -0.718 -18.250 19 2HZ LYS 2 HZ2 LYS 2 6.895 -2.230 -18.245 20 3HZ LYS 2 HZ3 LYS 2 6.356 -1.550 -16.793 21 H LYS 3 HN LYS 3 0.459 0.111 -12.965 22 HA LYS 3 HA LYS 3 2.837 -0.008 -11.249 23 1HB LYS 3 HB2 LYS 3 2.849 2.043 -12.818 24 2HB LYS 3 HB1 LYS 3 1.511 2.635 -11.844 25 1HG LYS 3 HG2 LYS 3 3.090 3.581 -10.587 26 2HG LYS 3 HG1 LYS 3 3.343 1.961 -9.936 27 1HD LYS 3 HD2 LYS 3 5.304 1.685 -11.030 28 2HD LYS 3 HD1 LYS 3 4.756 2.574 -12.453 29 1HE LYS 3 HE2 LYS 3 5.571 4.529 -11.698 30 2HE LYS 3 HE1 LYS 3 5.073 4.208 -10.037 31 1HZ LYS 3 HZ1 LYS 3 6.996 2.642 -9.910 32 2HZ LYS 3 HZ2 LYS 3 7.425 4.269 -10.075 33 3HZ LYS 3 HZ3 LYS 3 7.515 3.232 -11.408 34 H VAL 4 HN VAL 4 0.403 -1.301 -10.929 35 HA VAL 4 HA VAL 4 -1.282 0.114 -9.105 36 HB VAL 4 HB VAL 4 -0.925 -2.885 -9.260 37 1HG1 VAL 4 HG11 VAL 4 -3.123 -1.104 -8.234 38 2HG1 VAL 4 HG12 VAL 4 -2.171 -2.285 -7.336 39 3HG1 VAL 4 HG13 VAL 4 -3.341 -2.827 -8.539 40 1HG2 VAL 4 HG21 VAL 4 -2.417 -1.010 -11.042 41 2HG2 VAL 4 HG22 VAL 4 -3.060 -2.625 -10.740 42 3HG2 VAL 4 HG23 VAL 4 -1.460 -2.432 -11.456 43 H PHE 5 HN PHE 5 1.793 -1.002 -9.025 44 HA PHE 5 HA PHE 5 2.343 -2.095 -6.608 45 1HB PHE 5 HB2 PHE 5 3.928 -1.681 -8.492 46 2HB PHE 5 HB1 PHE 5 3.960 0.016 -8.038 47 HD1 PHE 5 HD1 PHE 5 5.416 0.789 -6.374 48 HD2 PHE 5 HD2 PHE 5 4.755 -3.392 -6.815 49 HE1 PHE 5 HE1 PHE 5 7.251 0.337 -4.799 50 HE2 PHE 5 HE2 PHE 5 6.589 -3.852 -5.240 51 HZ PHE 5 HZ PHE 5 7.839 -1.986 -4.229 52 H LYS 6 HN LYS 6 1.353 1.090 -7.295 53 HA LYS 6 HA LYS 6 2.239 2.335 -4.898 54 1HB LYS 6 HB2 LYS 6 1.536 3.497 -7.056 55 2HB LYS 6 HB1 LYS 6 -0.126 3.193 -6.567 56 1HG LYS 6 HG2 LYS 6 1.088 4.361 -4.343 57 2HG LYS 6 HG1 LYS 6 1.683 5.269 -5.734 58 1HD LYS 6 HD2 LYS 6 -0.490 5.870 -6.405 59 2HD LYS 6 HD1 LYS 6 -1.235 4.648 -5.372 60 1HE LYS 6 HE2 LYS 6 0.103 6.117 -3.535 61 2HE LYS 6 HE1 LYS 6 -0.285 7.358 -4.725 62 1HZ LYS 6 HZ1 LYS 6 -1.942 6.688 -2.799 63 2HZ LYS 6 HZ2 LYS 6 -2.432 5.544 -3.944 64 3HZ LYS 6 HZ3 LYS 6 -2.491 7.192 -4.318 65 H ARG 7 HN ARG 7 -0.680 0.639 -5.880 66 HA ARG 7 HA ARG 7 -2.253 1.267 -3.626 67 1HB ARG 7 HB2 ARG 7 -2.290 -0.978 -5.623 68 2HB ARG 7 HB1 ARG 7 -3.379 -0.989 -4.242 69 1HG ARG 7 HG2 ARG 7 -3.241 1.404 -6.026 70 2HG ARG 7 HG1 ARG 7 -4.183 -0.011 -6.498 71 1HD ARG 7 HD2 ARG 7 -5.833 0.539 -5.110 72 2HD ARG 7 HD1 ARG 7 -4.715 0.703 -3.756 73 HE ARG 7 HE ARG 7 -4.773 2.969 -4.038 74 1HH1 ARG 7 HH11 ARG 7 -5.989 1.456 -6.939 75 2HH1 ARG 7 HH12 ARG 7 -6.484 2.950 -7.660 76 1HH2 ARG 7 HH21 ARG 7 -5.423 4.935 -4.986 77 2HH2 ARG 7 HH22 ARG 7 -6.162 4.926 -6.552 78 H LEU 8 HN LEU 8 0.207 -1.154 -4.238 79 HA LEU 8 HA LEU 8 -0.262 -2.779 -1.985 80 1HB LEU 8 HB2 LEU 8 1.417 -2.905 -4.113 81 2HB LEU 8 HB1 LEU 8 2.540 -2.434 -2.852 82 HG LEU 8 HG LEU 8 1.976 -4.399 -1.549 83 1HD1 LEU 8 HD11 LEU 8 -0.161 -4.680 -3.601 84 2HD1 LEU 8 HD12 LEU 8 -0.232 -4.916 -1.855 85 3HD1 LEU 8 HD13 LEU 8 0.523 -6.136 -2.879 86 1HD2 LEU 8 HD21 LEU 8 2.780 -4.742 -4.403 87 2HD2 LEU 8 HD22 LEU 8 2.576 -6.162 -3.376 88 3HD2 LEU 8 HD23 LEU 8 3.742 -4.914 -2.935 89 H GLU 9 HN GLU 9 1.654 0.146 -2.462 90 HA GLU 9 HA GLU 9 2.912 0.142 0.068 91 1HB GLU 9 HB2 GLU 9 3.056 1.710 -2.195 92 2HB GLU 9 HB1 GLU 9 2.308 2.795 -1.031 93 1HG GLU 9 HG2 GLU 9 4.147 2.776 0.369 94 2HG GLU 9 HG1 GLU 9 4.761 1.261 -0.291 95 H LYS 10 HN LYS 10 -0.214 1.224 -1.062 96 HA LYS 10 HA LYS 10 -0.925 2.745 1.219 97 1HB LYS 10 HB2 LYS 10 -2.341 1.588 -1.118 98 2HB LYS 10 HB1 LYS 10 -3.326 1.931 0.298 99 1HG LYS 10 HG2 LYS 10 -1.577 4.143 -0.302 100 2HG LYS 10 HG1 LYS 10 -2.564 3.710 -1.699 101 1HD LYS 10 HD2 LYS 10 -4.417 3.608 0.267 102 2HD LYS 10 HD1 LYS 10 -3.348 4.864 0.897 103 1HE LYS 10 HE2 LYS 10 -5.096 5.870 -0.437 104 2HE LYS 10 HE1 LYS 10 -3.541 6.066 -1.245 105 1HZ LYS 10 HZ1 LYS 10 -4.074 4.417 -2.802 106 2HZ LYS 10 HZ2 LYS 10 -5.477 5.352 -2.673 107 3HZ LYS 10 HZ3 LYS 10 -5.389 3.849 -1.901 108 H LEU 11 HN LEU 11 -1.333 -0.651 0.325 109 HA LEU 11 HA LEU 11 -2.915 -1.409 2.530 110 1HB LEU 11 HB2 LEU 11 -2.073 -2.675 0.305 111 2HB LEU 11 HB1 LEU 11 -0.955 -3.362 1.467 112 HG LEU 11 HG LEU 11 -3.828 -3.380 2.208 113 1HD1 LEU 11 HD11 LEU 11 -2.657 -5.143 0.065 114 2HD1 LEU 11 HD12 LEU 11 -4.021 -4.036 -0.088 115 3HD1 LEU 11 HD13 LEU 11 -4.163 -5.477 0.919 116 1HD2 LEU 11 HD21 LEU 11 -2.297 -4.307 3.766 117 2HD2 LEU 11 HD22 LEU 11 -1.487 -5.246 2.513 118 3HD2 LEU 11 HD23 LEU 11 -3.129 -5.662 3.003 119 H PHE 12 HN PHE 12 0.534 -0.976 2.111 120 HA PHE 12 HA PHE 12 1.361 -2.271 4.485 121 1HB PHE 12 HB2 PHE 12 2.927 -1.702 2.669 122 2HB PHE 12 HB1 PHE 12 2.678 0.011 2.991 123 HD1 PHE 12 HD1 PHE 12 3.980 -3.128 4.454 124 HD2 PHE 12 HD2 PHE 12 3.919 1.123 4.635 125 HE1 PHE 12 HE1 PHE 12 5.813 -3.176 6.095 126 HE2 PHE 12 HE2 PHE 12 5.753 1.083 6.276 127 HZ PHE 12 HZ PHE 12 6.702 -1.069 7.007 128 H SER 13 HN SER 13 0.096 0.907 3.785 129 HA SER 13 HA SER 13 0.802 2.086 6.272 130 1HB SER 13 HB2 SER 13 -0.944 2.819 3.980 131 2HB SER 13 HB1 SER 13 -1.270 3.610 5.522 132 HG SER 13 HG SER 13 0.280 4.889 4.886 133 H LYS 14 HN LYS 14 -1.597 -0.112 5.303 134 HA LYS 14 HA LYS 14 -3.435 0.490 7.437 135 1HB LYS 14 HB2 LYS 14 -3.793 -0.685 5.042 136 2HB LYS 14 HB1 LYS 14 -3.597 -2.117 6.043 137 1HG LYS 14 HG2 LYS 14 -5.380 -1.063 7.555 138 2HG LYS 14 HG1 LYS 14 -5.713 -0.004 6.183 139 1HD LYS 14 HD2 LYS 14 -5.573 -2.942 5.716 140 2HD LYS 14 HD1 LYS 14 -7.007 -2.281 6.504 141 1HE LYS 14 HE2 LYS 14 -5.907 -1.228 3.906 142 2HE LYS 14 HE1 LYS 14 -7.137 -2.489 3.996 143 1HZ LYS 14 HZ1 LYS 14 -8.509 -0.726 3.902 144 2HZ LYS 14 HZ2 LYS 14 -7.363 0.362 4.505 145 3HZ LYS 14 HZ3 LYS 14 -8.217 -0.639 5.567 146 H ILE 15 HN ILE 15 -0.652 -1.417 6.989 147 HA ILE 15 HA ILE 15 -1.202 -3.224 9.185 148 HB ILE 15 HB ILE 15 1.418 -2.847 7.736 149 1HG1 ILE 15 HG12 ILE 15 -0.699 -4.903 7.097 150 2HG1 ILE 15 HG11 ILE 15 -0.569 -3.373 6.235 151 1HG2 ILE 15 HG21 ILE 15 0.601 -5.465 8.810 152 2HG2 ILE 15 HG22 ILE 15 0.947 -4.217 10.007 153 3HG2 ILE 15 HG23 ILE 15 2.175 -4.669 8.825 154 1HD1 ILE 15 HD11 ILE 15 1.562 -5.491 6.393 155 2HD1 ILE 15 HD12 ILE 15 1.682 -3.965 5.518 156 3HD1 ILE 15 HD13 ILE 15 0.504 -5.178 5.017 157 H GLN 16 HN GLN 16 0.518 -0.246 8.606 158 HA GLN 16 HA GLN 16 2.259 -0.200 10.773 159 1HB GLN 16 HB2 GLN 16 1.716 1.513 8.772 160 2HB GLN 16 HB1 GLN 16 0.890 2.339 10.086 161 1HG GLN 16 HG2 GLN 16 2.823 3.216 10.691 162 2HG GLN 16 HG1 GLN 16 3.391 1.599 11.103 163 1HE2 GLN 16 HE21 GLN 16 2.967 3.716 8.289 164 2HE2 GLN 16 HE22 GLN 16 4.433 3.251 7.502 165 H ASN 17 HN ASN 17 -1.189 0.186 10.678 166 HA ASN 17 HA ASN 17 -1.665 1.593 13.024 167 1HB ASN 17 HB2 ASN 17 -3.218 -0.510 11.547 168 2HB ASN 17 HB1 ASN 17 -3.815 0.128 13.076 169 1HD2 ASN 17 HD21 ASN 17 -5.415 0.505 11.043 170 2HD2 ASN 17 HD22 ASN 17 -5.373 2.135 10.470 171 H ASP 18 HN ASP 18 -0.684 -1.718 12.557 172 HA ASP 18 HA ASP 18 -1.237 -2.488 15.286 173 1HB ASP 18 HB2 ASP 18 -1.202 -3.977 13.121 174 2HB ASP 18 HB1 ASP 18 0.524 -4.079 13.458 175 H LYS 19 HN LYS 19 1.720 -2.171 13.315 176 HA LYS 19 HA LYS 19 3.330 -2.104 15.742 177 1HB LYS 19 HB2 LYS 19 5.244 -2.014 14.072 178 2HB LYS 19 HB1 LYS 19 4.271 -3.478 14.065 179 1HG LYS 19 HG2 LYS 19 3.347 -3.022 12.021 180 2HG LYS 19 HG1 LYS 19 3.557 -1.278 12.193 181 1HD LYS 19 HD2 LYS 19 6.023 -1.635 11.985 182 2HD LYS 19 HD1 LYS 19 5.692 -3.328 11.615 183 1HE LYS 19 HE2 LYS 19 4.097 -1.531 9.991 184 2HE LYS 19 HE1 LYS 19 5.824 -1.225 9.808 185 1HZ LYS 19 HZ1 LYS 19 4.883 -2.900 8.246 186 2HZ LYS 19 HZ2 LYS 19 4.611 -3.920 9.567 187 3HZ LYS 19 HZ3 LYS 19 6.188 -3.463 9.164 188 1HN NH2 20 NH1 NH2 20 3.370 -0.199 16.725 189 2HN NH2 20 NH2 NH2 20 3.643 1.329 15.965
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