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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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3183 |
1d9m ![]() ![]() |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LYS 1 1H LYS 1 16.704 -0.687 1.711 2 2H LYS 1 2H LYS 1 15.485 -1.675 2.366 3 3H LYS 1 3H LYS 1 16.658 -0.981 3.380 4 HA LYS 1 HA LYS 1 14.499 0.189 3.510 5 1HB LYS 1 2HB LYS 1 16.474 1.363 4.131 6 2HB LYS 1 1HB LYS 1 17.031 1.467 2.459 7 1HG LYS 1 2HG LYS 1 15.402 3.095 1.898 8 2HG LYS 1 1HG LYS 1 14.451 2.758 3.344 9 1HD LYS 1 2HD LYS 1 16.982 3.457 4.316 10 2HD LYS 1 1HD LYS 1 16.675 4.597 3.005 11 1HE LYS 1 2HE LYS 1 14.491 4.022 4.997 12 2HE LYS 1 1HE LYS 1 15.776 5.176 5.406 13 1HZ LYS 1 1HZ LYS 1 13.908 5.252 3.110 14 2HZ LYS 1 2HZ LYS 1 15.356 6.139 3.112 15 3HZ LYS 1 3HZ LYS 1 14.169 6.443 4.287 16 H TRP 2 H TRP 2 12.881 -0.356 1.940 17 HA TRP 2 HA TRP 2 13.070 1.197 -0.619 18 1HB TRP 2 2HB TRP 2 12.493 -1.640 -0.004 19 2HB TRP 2 1HB TRP 2 11.399 -0.901 -1.169 20 HD1 TRP 2 HD1 TRP 2 13.975 1.085 -2.155 21 HE1 TRP 2 HE1 TRP 2 15.575 0.038 -3.878 22 HE3 TRP 2 HE3 TRP 2 12.861 -3.856 -1.507 23 HZ2 TRP 2 HZ2 TRP 2 16.288 -2.551 -4.860 24 HZ3 TRP 2 HZ3 TRP 2 14.012 -5.590 -2.853 25 HH2 TRP 2 HH2 TRP 2 15.723 -4.945 -4.528 26 H LYS 3 H LYS 3 11.496 2.742 -0.662 27 HA LYS 3 HA LYS 3 9.404 3.001 1.242 28 1HB LYS 3 2HB LYS 3 10.000 4.091 -1.501 29 2HB LYS 3 1HB LYS 3 8.500 4.532 -0.684 30 1HG LYS 3 2HG LYS 3 9.620 6.063 0.520 31 2HG LYS 3 1HG LYS 3 10.605 4.776 1.217 32 1HD LYS 3 2HD LYS 3 12.279 5.995 0.202 33 2HD LYS 3 1HD LYS 3 11.832 4.956 -1.152 34 1HE LYS 3 2HE LYS 3 10.037 7.161 -1.206 35 2HE LYS 3 1HE LYS 3 11.670 7.824 -0.995 36 1HZ LYS 3 1HZ LYS 3 10.599 6.187 -3.173 37 2HZ LYS 3 2HZ LYS 3 12.219 5.937 -2.725 38 3HZ LYS 3 3HZ LYS 3 11.703 7.474 -3.233 39 H LEU 4 H LEU 4 9.673 0.971 -1.496 40 HA LEU 4 HA LEU 4 6.820 0.681 -2.031 41 1HB LEU 4 2HB LEU 4 9.415 -0.493 -2.933 42 2HB LEU 4 1HB LEU 4 7.947 -1.418 -3.253 43 HG LEU 4 HG LEU 4 7.397 1.294 -3.914 44 1HD1 LEU 4 1HD1 LEU 4 9.113 1.930 -5.397 45 2HD1 LEU 4 2HD1 LEU 4 9.791 0.304 -5.455 46 3HD1 LEU 4 3HD1 LEU 4 9.997 1.293 -4.011 47 1HD2 LEU 4 1HD2 LEU 4 6.435 -0.810 -4.897 48 2HD2 LEU 4 2HD2 LEU 4 7.965 -1.072 -5.733 49 3HD2 LEU 4 3HD2 LEU 4 6.979 0.338 -6.118 50 H PHE 5 H PHE 5 9.198 -0.867 -0.027 51 HA PHE 5 HA PHE 5 8.024 -3.368 0.485 52 1HB PHE 5 2HB PHE 5 10.130 -1.803 1.429 53 2HB PHE 5 1HB PHE 5 9.135 -2.090 2.858 54 HD1 PHE 5 HD1 PHE 5 11.952 -3.284 1.606 55 HD2 PHE 5 HD2 PHE 5 7.968 -4.720 2.321 56 HE1 PHE 5 HE1 PHE 5 12.813 -5.608 1.738 57 HE2 PHE 5 HE2 PHE 5 8.828 -7.043 2.453 58 HZ PHE 5 HZ PHE 5 11.251 -7.487 2.160 59 H LYS 6 H LYS 6 6.888 -0.252 1.353 60 HA LYS 6 HA LYS 6 4.796 -1.507 3.103 61 1HB LYS 6 2HB LYS 6 6.322 1.104 3.328 62 2HB LYS 6 1HB LYS 6 4.859 0.780 4.258 63 1HG LYS 6 2HG LYS 6 5.962 -1.301 5.141 64 2HG LYS 6 1HG LYS 6 7.448 -0.794 4.335 65 1HD LYS 6 2HD LYS 6 6.599 1.480 5.733 66 2HD LYS 6 1HD LYS 6 6.313 0.142 6.846 67 1HE LYS 6 2HE LYS 6 8.768 -0.560 5.944 68 2HE LYS 6 1HE LYS 6 8.885 1.206 5.801 69 1HZ LYS 6 1HZ LYS 6 9.278 -0.052 8.097 70 2HZ LYS 6 2HZ LYS 6 7.596 0.160 8.199 71 3HZ LYS 6 3HZ LYS 6 8.615 1.507 8.016 72 H LYS 7 H LYS 7 4.697 -0.983 0.186 73 HA LYS 7 HA LYS 7 2.437 0.971 0.176 74 1HB LYS 7 2HB LYS 7 4.609 1.931 -0.592 75 2HB LYS 7 1HB LYS 7 4.681 0.692 -1.846 76 1HG LYS 7 2HG LYS 7 3.440 2.006 -3.162 77 2HG LYS 7 1HG LYS 7 2.113 1.854 -2.010 78 1HD LYS 7 2HD LYS 7 2.570 3.880 -1.000 79 2HD LYS 7 1HD LYS 7 4.296 3.778 -1.347 80 1HE LYS 7 2HE LYS 7 3.896 5.247 -3.037 81 2HE LYS 7 1HE LYS 7 3.107 3.898 -3.878 82 1HZ LYS 7 1HZ LYS 7 1.044 4.550 -3.205 83 2HZ LYS 7 2HZ LYS 7 1.784 6.078 -3.267 84 3HZ LYS 7 3HZ LYS 7 1.602 5.279 -1.779 85 H ILE 8 H ILE 8 3.956 -1.902 -1.234 86 HA ILE 8 HA ILE 8 2.178 -2.351 -3.405 87 HB ILE 8 HB ILE 8 3.878 -4.086 -1.622 88 1HG1 ILE 8 2HG1 ILE 8 4.651 -4.288 -4.289 89 2HG1 ILE 8 1HG1 ILE 8 4.161 -2.600 -4.121 90 1HG2 ILE 8 1HG2 ILE 8 2.062 -4.921 -3.893 91 2HG2 ILE 8 2HG2 ILE 8 2.144 -5.598 -2.266 92 3HG2 ILE 8 3HG2 ILE 8 3.460 -5.878 -3.406 93 1HD1 ILE 8 1HD1 ILE 8 5.740 -3.583 -1.849 94 2HD1 ILE 8 2HD1 ILE 8 5.930 -2.106 -2.793 95 3HD1 ILE 8 3HD1 ILE 8 6.619 -3.621 -3.377 96 HA PRO 9 HA PRO 9 -0.435 -5.136 -0.470 97 1HB PRO 9 2HB PRO 9 -0.066 -4.792 2.225 98 2HB PRO 9 1HB PRO 9 0.830 -5.989 1.266 99 1HG PRO 9 2HG PRO 9 1.670 -3.256 2.133 100 2HG PRO 9 1HG PRO 9 2.586 -4.775 2.161 101 1HD PRO 9 2HD PRO 9 2.963 -2.952 0.236 102 2HD PRO 9 1HD PRO 9 3.046 -4.696 -0.104 103 H LYS 10 H LYS 10 -1.123 -2.704 -1.470 104 HA LYS 10 HA LYS 10 -2.449 -1.183 0.734 105 1HB LYS 10 2HB LYS 10 -0.955 -0.394 -1.434 106 2HB LYS 10 1HB LYS 10 -2.596 -0.218 -2.054 107 1HG LYS 10 2HG LYS 10 -2.878 0.872 0.430 108 2HG LYS 10 1HG LYS 10 -1.210 1.313 0.066 109 1HD LYS 10 2HD LYS 10 -2.905 1.722 -2.251 110 2HD LYS 10 1HD LYS 10 -3.528 2.606 -0.858 111 1HE LYS 10 2HE LYS 10 -1.880 4.143 -1.061 112 2HE LYS 10 1HE LYS 10 -0.646 2.871 -0.975 113 1HZ LYS 10 1HZ LYS 10 -1.013 4.246 -3.169 114 2HZ LYS 10 2HZ LYS 10 -2.236 3.095 -3.423 115 3HZ LYS 10 3HZ LYS 10 -0.623 2.597 -3.222 116 H PHE 11 H PHE 11 -3.274 -3.841 -0.705 117 HA PHE 11 HA PHE 11 -5.608 -3.372 -2.274 118 1HB PHE 11 2HB PHE 11 -4.543 -5.542 -2.143 119 2HB PHE 11 1HB PHE 11 -4.772 -5.604 -0.395 120 HD1 PHE 11 HD1 PHE 11 -6.341 -7.264 0.125 121 HD2 PHE 11 HD2 PHE 11 -7.053 -4.658 -3.216 122 HE1 PHE 11 HE1 PHE 11 -8.575 -8.294 -0.204 123 HE2 PHE 11 HE2 PHE 11 -9.284 -5.690 -3.544 124 HZ PHE 11 HZ PHE 11 -10.045 -7.506 -2.039 125 H LEU 12 H LEU 12 -5.094 -3.482 1.223 126 HA LEU 12 HA LEU 12 -7.840 -3.532 2.044 127 1HB LEU 12 2HB LEU 12 -5.175 -3.199 3.132 128 2HB LEU 12 1HB LEU 12 -6.296 -2.081 3.909 129 HG LEU 12 HG LEU 12 -7.868 -4.172 4.054 130 1HD1 LEU 12 1HD1 LEU 12 -6.161 -5.484 2.615 131 2HD1 LEU 12 2HD1 LEU 12 -6.816 -6.292 4.038 132 3HD1 LEU 12 3HD1 LEU 12 -5.202 -5.586 4.091 133 1HD2 LEU 12 1HD2 LEU 12 -7.323 -3.589 6.178 134 2HD2 LEU 12 2HD2 LEU 12 -5.661 -3.203 5.733 135 3HD2 LEU 12 3HD2 LEU 12 -6.116 -4.871 6.079 136 H HIS 13 H HIS 13 -5.736 -0.956 0.905 137 HA HIS 13 HA HIS 13 -7.300 1.265 1.889 138 1HB HIS 13 2HB HIS 13 -4.934 1.381 1.196 139 2HB HIS 13 1HB HIS 13 -5.397 0.990 -0.463 140 HD1 HIS 13 HD1 HIS 13 -7.454 2.756 -1.332 141 HD2 HIS 13 HD2 HIS 13 -4.725 4.103 1.512 142 HE1 HIS 13 HE1 HIS 13 -7.552 5.286 -1.392 143 H SER 14 H SER 14 -7.485 -0.774 -0.986 144 HA SER 14 HA SER 14 -9.143 0.867 -2.615 145 1HB SER 14 2HB SER 14 -8.105 -1.042 -3.562 146 2HB SER 14 1HB SER 14 -8.703 -2.092 -2.281 147 HG SER 14 HG SER 14 -10.430 -2.383 -3.426 148 H ALA 15 H ALA 15 -10.058 -1.732 -0.398 149 HA ALA 15 HA ALA 15 -12.891 -1.398 -0.644 150 1HB ALA 15 1HB ALA 15 -12.949 -3.050 0.996 151 2HB ALA 15 2HB ALA 15 -11.586 -2.361 1.880 152 3HB ALA 15 3HB ALA 15 -11.307 -3.259 0.387 153 H LYS 16 H LYS 16 -10.494 0.352 1.203 154 HA LYS 16 HA LYS 16 -11.989 1.412 3.335 155 1HB LYS 16 2HB LYS 16 -9.583 1.727 2.979 156 2HB LYS 16 1HB LYS 16 -9.904 2.692 1.538 157 1HG LYS 16 2HG LYS 16 -9.724 4.427 3.009 158 2HG LYS 16 1HG LYS 16 -11.414 4.037 3.328 159 1HD LYS 16 2HD LYS 16 -10.832 3.695 5.479 160 2HD LYS 16 1HD LYS 16 -9.962 2.260 4.935 161 1HE LYS 16 2HE LYS 16 -8.213 4.340 4.311 162 2HE LYS 16 1HE LYS 16 -8.885 4.808 5.886 163 1HZ LYS 16 1HZ LYS 16 -8.167 2.000 5.435 164 2HZ LYS 16 2HZ LYS 16 -8.162 2.895 6.879 165 3HZ LYS 16 3HZ LYS 16 -6.918 3.104 5.741 166 H LYS 17 H LYS 17 -12.315 2.007 -0.082 167 HA LYS 17 HA LYS 17 -13.754 4.554 0.236 168 1HB LYS 17 2HB LYS 17 -12.231 3.716 -1.693 169 2HB LYS 17 1HB LYS 17 -13.640 2.790 -2.211 170 1HG LYS 17 2HG LYS 17 -14.923 5.039 -2.019 171 2HG LYS 17 1HG LYS 17 -13.322 5.780 -2.029 172 1HD LYS 17 2HD LYS 17 -12.896 4.303 -4.126 173 2HD LYS 17 1HD LYS 17 -14.652 4.152 -4.185 174 1HE LYS 17 2HE LYS 17 -14.913 6.566 -4.347 175 2HE LYS 17 1HE LYS 17 -13.169 6.804 -4.117 176 1HZ LYS 17 1HZ LYS 17 -14.051 6.695 -6.509 177 2HZ LYS 17 2HZ LYS 17 -14.196 5.025 -6.237 178 3HZ LYS 17 3HZ LYS 17 -12.678 5.777 -6.126 179 H PHE 18 H PHE 18 -14.575 1.196 -0.688 180 HA PHE 18 HA PHE 18 -17.443 1.837 -0.071 181 1HB PHE 18 2HB PHE 18 -17.161 1.584 -2.445 182 2HB PHE 18 1HB PHE 18 -16.151 0.154 -2.233 183 HD1 PHE 18 HD1 PHE 18 -17.134 -1.999 -1.545 184 HD2 PHE 18 HD2 PHE 18 -19.577 1.467 -2.231 185 HE1 PHE 18 HE1 PHE 18 -19.153 -3.436 -1.620 186 HE2 PHE 18 HE2 PHE 18 -21.596 0.030 -2.305 187 HZ PHE 18 HZ PHE 18 -21.384 -2.423 -2.000 188 1HN NH2 19 1HN NH2 19 -14.907 -0.711 -0.064 189 2HN NH2 19 2HN NH2 19 -15.653 -1.684 1.109 Start of MODEL 2 1 1H LYS 1 1H LYS 1 14.646 1.680 0.202 2 2H LYS 1 2H LYS 1 13.048 1.445 0.730 3 3H LYS 1 3H LYS 1 13.387 1.569 -0.930 4 HA LYS 1 HA LYS 1 13.075 -0.728 -0.539 5 1HB LYS 1 2HB LYS 1 15.300 0.429 -1.595 6 2HB LYS 1 1HB LYS 1 16.038 -0.589 -0.358 7 1HG LYS 1 2HG LYS 1 15.787 -2.364 -1.714 8 2HG LYS 1 1HG LYS 1 14.038 -2.158 -1.612 9 1HD LYS 1 2HD LYS 1 14.520 -0.244 -3.405 10 2HD LYS 1 1HD LYS 1 15.934 -1.245 -3.738 11 1HE LYS 1 2HE LYS 1 14.083 -3.194 -3.684 12 2HE LYS 1 1HE LYS 1 13.046 -1.847 -4.189 13 1HZ LYS 1 1HZ LYS 1 15.667 -2.506 -5.423 14 2HZ LYS 1 2HZ LYS 1 14.582 -1.304 -5.933 15 3HZ LYS 1 3HZ LYS 1 14.166 -2.945 -6.080 16 H TRP 2 H TRP 2 12.550 0.024 2.058 17 HA TRP 2 HA TRP 2 13.999 -2.045 3.594 18 1HB TRP 2 2HB TRP 2 15.411 -0.033 3.739 19 2HB TRP 2 1HB TRP 2 14.035 0.904 4.316 20 HD1 TRP 2 HD1 TRP 2 13.459 0.782 6.829 21 HE1 TRP 2 HE1 TRP 2 14.462 -0.466 8.849 22 HE3 TRP 2 HE3 TRP 2 16.658 -2.383 4.415 23 HZ2 TRP 2 HZ2 TRP 2 16.365 -2.530 9.374 24 HZ3 TRP 2 HZ3 TRP 2 18.055 -3.976 5.700 25 HH2 TRP 2 HH2 TRP 2 17.913 -4.054 8.175 26 H LYS 3 H LYS 3 12.477 0.624 5.258 27 HA LYS 3 HA LYS 3 10.472 -1.137 6.424 28 1HB LYS 3 2HB LYS 3 11.677 1.447 6.853 29 2HB LYS 3 1HB LYS 3 9.923 1.602 6.940 30 1HG LYS 3 2HG LYS 3 9.945 0.684 8.991 31 2HG LYS 3 1HG LYS 3 10.652 -0.786 8.322 32 1HD LYS 3 2HD LYS 3 12.653 -0.308 9.232 33 2HD LYS 3 1HD LYS 3 12.650 1.301 8.507 34 1HE LYS 3 2HE LYS 3 11.012 1.957 10.397 35 2HE LYS 3 1HE LYS 3 11.533 0.454 11.186 36 1HZ LYS 3 1HZ LYS 3 13.233 1.721 11.901 37 2HZ LYS 3 2HZ LYS 3 13.032 2.888 10.682 38 3HZ LYS 3 3HZ LYS 3 13.869 1.447 10.352 39 H LEU 4 H LEU 4 10.601 0.450 3.485 40 HA LEU 4 HA LEU 4 7.787 1.303 3.365 41 1HB LEU 4 2HB LEU 4 10.139 1.201 1.470 42 2HB LEU 4 1HB LEU 4 8.541 1.728 0.941 43 HG LEU 4 HG LEU 4 9.131 3.061 3.397 44 1HD1 LEU 4 1HD1 LEU 4 11.523 2.445 2.567 45 2HD1 LEU 4 2HD1 LEU 4 11.201 4.117 3.022 46 3HD1 LEU 4 3HD1 LEU 4 11.232 3.658 1.320 47 1HD2 LEU 4 1HD2 LEU 4 8.591 3.727 0.539 48 2HD2 LEU 4 2HD2 LEU 4 9.267 5.005 1.549 49 3HD2 LEU 4 3HD2 LEU 4 7.738 4.246 1.994 50 H PHE 5 H PHE 5 9.222 -1.703 3.216 51 HA PHE 5 HA PHE 5 7.797 -2.776 0.903 52 1HB PHE 5 2HB PHE 5 9.982 -3.473 2.397 53 2HB PHE 5 1HB PHE 5 8.770 -4.603 3.002 54 HD1 PHE 5 HD1 PHE 5 11.328 -5.050 1.155 55 HD2 PHE 5 HD2 PHE 5 7.105 -4.735 0.425 56 HE1 PHE 5 HE1 PHE 5 11.578 -6.420 -0.898 57 HE2 PHE 5 HE2 PHE 5 7.358 -6.103 -1.628 58 HZ PHE 5 HZ PHE 5 9.593 -6.946 -2.289 59 H LYS 6 H LYS 6 6.917 -2.077 4.117 60 HA LYS 6 HA LYS 6 4.812 -4.167 4.219 61 1HB LYS 6 2HB LYS 6 6.393 -2.705 6.070 62 2HB LYS 6 1HB LYS 6 4.718 -2.223 6.346 63 1HG LYS 6 2HG LYS 6 5.615 -5.110 6.133 64 2HG LYS 6 1HG LYS 6 5.433 -4.256 7.665 65 1HD LYS 6 2HD LYS 6 3.037 -3.691 6.765 66 2HD LYS 6 1HD LYS 6 3.315 -5.057 5.685 67 1HE LYS 6 2HE LYS 6 3.548 -6.586 7.504 68 2HE LYS 6 1HE LYS 6 3.713 -5.270 8.684 69 1HZ LYS 6 1HZ LYS 6 1.322 -5.610 6.960 70 2HZ LYS 6 2HZ LYS 6 1.498 -4.581 8.301 71 3HZ LYS 6 3HZ LYS 6 1.427 -6.264 8.522 72 H LYS 7 H LYS 7 5.048 -1.372 2.599 73 HA LYS 7 HA LYS 7 2.215 -0.554 3.174 74 1HB LYS 7 2HB LYS 7 4.387 1.125 1.893 75 2HB LYS 7 1HB LYS 7 2.884 1.679 2.624 76 1HG LYS 7 2HG LYS 7 4.678 0.144 4.422 77 2HG LYS 7 1HG LYS 7 5.280 1.717 3.909 78 1HD LYS 7 2HD LYS 7 4.036 2.462 5.673 79 2HD LYS 7 1HD LYS 7 2.714 2.364 4.508 80 1HE LYS 7 2HE LYS 7 1.718 0.695 5.678 81 2HE LYS 7 1HE LYS 7 3.233 -0.227 5.750 82 1HZ LYS 7 1HZ LYS 7 2.244 0.792 7.916 83 2HZ LYS 7 2HZ LYS 7 2.964 2.223 7.350 84 3HZ LYS 7 3HZ LYS 7 3.917 0.848 7.643 85 H ILE 8 H ILE 8 4.399 -1.868 0.904 86 HA ILE 8 HA ILE 8 3.527 -0.994 -1.608 87 HB ILE 8 HB ILE 8 4.516 -3.611 -0.484 88 1HG1 ILE 8 2HG1 ILE 8 6.575 -2.851 -1.051 89 2HG1 ILE 8 1HG1 ILE 8 6.031 -2.323 -2.638 90 1HG2 ILE 8 1HG2 ILE 8 3.989 -3.038 -3.413 91 2HG2 ILE 8 2HG2 ILE 8 3.034 -4.128 -2.409 92 3HG2 ILE 8 3HG2 ILE 8 4.724 -4.498 -2.751 93 1HD1 ILE 8 1HD1 ILE 8 5.567 -0.768 -0.072 94 2HD1 ILE 8 2HD1 ILE 8 5.210 -0.227 -1.713 95 3HD1 ILE 8 3HD1 ILE 8 6.882 -0.454 -1.203 96 HA PRO 9 HA PRO 9 0.057 -4.284 -1.520 97 1HB PRO 9 2HB PRO 9 -0.692 -5.312 0.900 98 2HB PRO 9 1HB PRO 9 0.562 -6.044 -0.119 99 1HG PRO 9 2HG PRO 9 0.846 -4.344 2.296 100 2HG PRO 9 1HG PRO 9 1.820 -5.721 1.760 101 1HD PRO 9 2HD PRO 9 2.563 -3.099 1.480 102 2HD PRO 9 1HD PRO 9 3.163 -4.423 0.459 103 H LYS 10 H LYS 10 -0.808 -2.033 -1.822 104 HA LYS 10 HA LYS 10 -2.310 -0.895 0.469 105 1HB LYS 10 2HB LYS 10 -0.878 0.271 -1.426 106 2HB LYS 10 1HB LYS 10 -2.367 0.120 -2.359 107 1HG LYS 10 2HG LYS 10 -3.121 1.057 0.204 108 2HG LYS 10 1HG LYS 10 -1.730 2.021 -0.293 109 1HD LYS 10 2HD LYS 10 -3.797 1.523 -2.370 110 2HD LYS 10 1HD LYS 10 -4.254 2.605 -1.053 111 1HE LYS 10 2HE LYS 10 -2.449 4.105 -1.525 112 2HE LYS 10 1HE LYS 10 -1.665 2.931 -2.600 113 1HZ LYS 10 1HZ LYS 10 -3.987 4.618 -3.084 114 2HZ LYS 10 2HZ LYS 10 -4.088 3.028 -3.675 115 3HZ LYS 10 3HZ LYS 10 -2.820 4.044 -4.171 116 H PHE 11 H PHE 11 -2.959 -3.489 -1.110 117 HA PHE 11 HA PHE 11 -5.361 -3.068 -2.619 118 1HB PHE 11 2HB PHE 11 -3.888 -5.067 -2.666 119 2HB PHE 11 1HB PHE 11 -4.387 -5.457 -1.021 120 HD1 PHE 11 HD1 PHE 11 -5.647 -7.446 -1.239 121 HD2 PHE 11 HD2 PHE 11 -6.430 -4.122 -3.846 122 HE1 PHE 11 HE1 PHE 11 -7.651 -8.612 -2.123 123 HE2 PHE 11 HE2 PHE 11 -8.434 -5.287 -4.728 124 HZ PHE 11 HZ PHE 11 -9.045 -7.530 -3.867 125 H LEU 12 H LEU 12 -4.754 -3.560 0.837 126 HA LEU 12 HA LEU 12 -7.482 -4.057 1.617 127 1HB LEU 12 2HB LEU 12 -4.891 -3.847 2.755 128 2HB LEU 12 1HB LEU 12 -5.921 -2.720 3.636 129 HG LEU 12 HG LEU 12 -7.616 -4.759 3.602 130 1HD1 LEU 12 1HD1 LEU 12 -5.382 -5.902 2.365 131 2HD1 LEU 12 2HD1 LEU 12 -6.768 -6.770 3.027 132 3HD1 LEU 12 3HD1 LEU 12 -5.330 -6.515 4.017 133 1HD2 LEU 12 1HD2 LEU 12 -6.965 -3.942 5.703 134 2HD2 LEU 12 2HD2 LEU 12 -5.254 -4.246 5.398 135 3HD2 LEU 12 3HD2 LEU 12 -6.344 -5.592 5.736 136 H HIS 13 H HIS 13 -5.684 -1.126 0.911 137 HA HIS 13 HA HIS 13 -7.429 0.727 2.282 138 1HB HIS 13 2HB HIS 13 -4.995 0.795 1.056 139 2HB HIS 13 1HB HIS 13 -5.996 1.566 -0.175 140 HD1 HIS 13 HD1 HIS 13 -4.032 2.465 2.620 141 HD2 HIS 13 HD2 HIS 13 -7.812 3.632 1.301 142 HE1 HIS 13 HE1 HIS 13 -4.526 4.688 3.734 143 H SER 14 H SER 14 -7.548 -0.870 -0.856 144 HA SER 14 HA SER 14 -9.363 0.861 -2.204 145 1HB SER 14 2HB SER 14 -8.121 -0.950 -3.277 146 2HB SER 14 1HB SER 14 -8.962 -2.145 -2.292 147 HG SER 14 HG SER 14 -10.177 -0.348 -4.130 148 H ALA 15 H ALA 15 -9.802 -1.146 0.512 149 HA ALA 15 HA ALA 15 -12.661 -1.652 0.193 150 1HB ALA 15 1HB ALA 15 -10.549 -1.963 2.315 151 2HB ALA 15 2HB ALA 15 -11.508 -3.211 1.518 152 3HB ALA 15 3HB ALA 15 -12.247 -2.177 2.742 153 H LYS 16 H LYS 16 -10.670 0.924 1.445 154 HA LYS 16 HA LYS 16 -12.597 2.146 3.209 155 1HB LYS 16 2HB LYS 16 -10.269 3.288 1.629 156 2HB LYS 16 1HB LYS 16 -11.040 4.063 3.013 157 1HG LYS 16 2HG LYS 16 -10.326 1.343 3.676 158 2HG LYS 16 1HG LYS 16 -8.914 2.207 3.068 159 1HD LYS 16 2HD LYS 16 -10.609 3.732 4.955 160 2HD LYS 16 1HD LYS 16 -9.764 2.348 5.649 161 1HE LYS 16 2HE LYS 16 -7.648 3.254 4.501 162 2HE LYS 16 1HE LYS 16 -8.566 4.756 4.260 163 1HZ LYS 16 1HZ LYS 16 -8.346 3.374 6.878 164 2HZ LYS 16 2HZ LYS 16 -8.985 4.919 6.575 165 3HZ LYS 16 3HZ LYS 16 -7.317 4.639 6.410 166 H LYS 17 H LYS 17 -12.473 1.877 -0.198 167 HA LYS 17 HA LYS 17 -13.446 4.329 -1.165 168 1HB LYS 17 2HB LYS 17 -13.145 1.637 -2.004 169 2HB LYS 17 1HB LYS 17 -14.806 2.093 -2.385 170 1HG LYS 17 2HG LYS 17 -12.567 3.982 -3.052 171 2HG LYS 17 1HG LYS 17 -12.897 2.614 -4.116 172 1HD LYS 17 2HD LYS 17 -15.066 4.516 -3.214 173 2HD LYS 17 1HD LYS 17 -14.123 4.788 -4.679 174 1HE LYS 17 2HE LYS 17 -15.173 3.099 -5.818 175 2HE LYS 17 1HE LYS 17 -15.254 2.057 -4.384 176 1HZ LYS 17 1HZ LYS 17 -16.823 3.989 -3.571 177 2HZ LYS 17 2HZ LYS 17 -17.423 2.697 -4.497 178 3HZ LYS 17 3HZ LYS 17 -17.074 4.187 -5.237 179 H PHE 18 H PHE 18 -15.028 2.009 0.883 180 HA PHE 18 HA PHE 18 -17.767 2.763 0.284 181 1HB PHE 18 2HB PHE 18 -17.276 0.614 1.228 182 2HB PHE 18 1HB PHE 18 -16.348 1.333 2.544 183 HD1 PHE 18 HD1 PHE 18 -17.419 2.195 4.506 184 HD2 PHE 18 HD2 PHE 18 -19.762 0.904 1.145 185 HE1 PHE 18 HE1 PHE 18 -19.475 2.331 5.887 186 HE2 PHE 18 HE2 PHE 18 -21.817 1.039 2.527 187 HZ PHE 18 HZ PHE 18 -21.673 1.753 4.897 188 1HN NH2 19 1HN NH2 19 -15.296 4.506 1.817 189 2HN NH2 19 2HN NH2 19 -16.253 5.525 2.780 Start of MODEL 3 1 1H LYS 1 1H LYS 1 8.503 -10.776 10.469 2 2H LYS 1 2H LYS 1 7.938 -11.071 8.895 3 3H LYS 1 3H LYS 1 7.895 -12.306 10.059 4 HA LYS 1 HA LYS 1 5.792 -10.731 9.447 5 1HB LYS 1 2HB LYS 1 6.717 -12.411 11.752 6 2HB LYS 1 1HB LYS 1 5.172 -11.574 11.895 7 1HG LYS 1 2HG LYS 1 4.234 -12.726 10.072 8 2HG LYS 1 1HG LYS 1 5.814 -13.186 9.434 9 1HD LYS 1 2HD LYS 1 4.501 -15.044 10.595 10 2HD LYS 1 1HD LYS 1 6.152 -14.798 11.167 11 1HE LYS 1 2HE LYS 1 5.240 -13.349 13.012 12 2HE LYS 1 1HE LYS 1 3.605 -13.795 12.488 13 1HZ LYS 1 1HZ LYS 1 5.358 -16.055 12.681 14 2HZ LYS 1 2HZ LYS 1 3.814 -15.826 13.350 15 3HZ LYS 1 3HZ LYS 1 5.190 -15.256 14.168 16 H TRP 2 H TRP 2 6.471 -8.437 9.442 17 HA TRP 2 HA TRP 2 5.942 -7.120 11.998 18 1HB TRP 2 2HB TRP 2 8.374 -7.984 11.970 19 2HB TRP 2 1HB TRP 2 8.676 -6.728 10.769 20 HD1 TRP 2 HD1 TRP 2 9.664 -4.675 11.865 21 HE1 TRP 2 HE1 TRP 2 9.313 -3.401 14.078 22 HE3 TRP 2 HE3 TRP 2 6.130 -7.650 14.045 23 HZ2 TRP 2 HZ2 TRP 2 7.743 -3.616 16.459 24 HZ3 TRP 2 HZ3 TRP 2 5.225 -7.092 16.284 25 HH2 TRP 2 HH2 TRP 2 6.027 -5.080 17.493 26 H LYS 3 H LYS 3 7.975 -5.037 10.469 27 HA LYS 3 HA LYS 3 6.138 -3.164 9.601 28 1HB LYS 3 2HB LYS 3 8.937 -3.906 8.992 29 2HB LYS 3 1HB LYS 3 8.172 -2.835 7.818 30 1HG LYS 3 2HG LYS 3 7.438 -1.419 9.831 31 2HG LYS 3 1HG LYS 3 8.590 -2.366 10.773 32 1HD LYS 3 2HD LYS 3 10.392 -1.726 9.198 33 2HD LYS 3 1HD LYS 3 9.238 -0.749 8.290 34 1HE LYS 3 2HE LYS 3 9.611 0.979 9.701 35 2HE LYS 3 1HE LYS 3 9.044 -0.014 11.059 36 1HZ LYS 3 1HZ LYS 3 11.728 -0.430 9.902 37 2HZ LYS 3 2HZ LYS 3 11.158 -0.846 11.448 38 3HZ LYS 3 3HZ LYS 3 11.479 0.778 11.068 39 H LEU 4 H LEU 4 7.008 -6.117 8.014 40 HA LEU 4 HA LEU 4 6.424 -5.725 5.343 41 1HB LEU 4 2HB LEU 4 5.794 -7.948 7.275 42 2HB LEU 4 1HB LEU 4 5.416 -8.107 5.559 43 HG LEU 4 HG LEU 4 8.131 -7.102 6.071 44 1HD1 LEU 4 1HD1 LEU 4 7.134 -9.550 7.410 45 2HD1 LEU 4 2HD1 LEU 4 8.530 -8.543 7.797 46 3HD1 LEU 4 3HD1 LEU 4 8.636 -9.742 6.507 47 1HD2 LEU 4 1HD2 LEU 4 8.585 -8.302 4.154 48 2HD2 LEU 4 2HD2 LEU 4 6.838 -8.155 3.958 49 3HD2 LEU 4 3HD2 LEU 4 7.530 -9.637 4.617 50 H PHE 5 H PHE 5 4.197 -5.600 8.003 51 HA PHE 5 HA PHE 5 1.759 -5.911 6.481 52 1HB PHE 5 2HB PHE 5 1.986 -6.265 8.923 53 2HB PHE 5 1HB PHE 5 2.306 -4.541 9.130 54 HD1 PHE 5 HD1 PHE 5 -0.238 -7.021 8.049 55 HD2 PHE 5 HD2 PHE 5 0.535 -2.923 9.077 56 HE1 PHE 5 HE1 PHE 5 -2.675 -6.571 8.081 57 HE2 PHE 5 HE2 PHE 5 -1.904 -2.472 9.112 58 HZ PHE 5 HZ PHE 5 -3.509 -4.294 8.612 59 H LYS 6 H LYS 6 4.014 -3.403 6.533 60 HA LYS 6 HA LYS 6 1.997 -1.269 6.067 61 1HB LYS 6 2HB LYS 6 4.699 -1.498 7.054 62 2HB LYS 6 1HB LYS 6 4.655 -0.345 5.720 63 1HG LYS 6 2HG LYS 6 2.492 0.532 6.963 64 2HG LYS 6 1HG LYS 6 3.244 -0.236 8.362 65 1HD LYS 6 2HD LYS 6 4.861 1.589 6.601 66 2HD LYS 6 1HD LYS 6 3.803 2.267 7.839 67 1HE LYS 6 2HE LYS 6 5.526 1.930 9.286 68 2HE LYS 6 1HE LYS 6 5.153 0.199 9.159 69 1HZ LYS 6 1HZ LYS 6 6.459 0.521 6.902 70 2HZ LYS 6 2HZ LYS 6 7.264 0.159 8.353 71 3HZ LYS 6 3HZ LYS 6 7.208 1.759 7.785 72 H LYS 7 H LYS 7 4.282 -3.284 4.325 73 HA LYS 7 HA LYS 7 3.669 -1.761 1.813 74 1HB LYS 7 2HB LYS 7 5.802 -2.700 1.015 75 2HB LYS 7 1HB LYS 7 6.041 -1.859 2.546 76 1HG LYS 7 2HG LYS 7 5.396 -4.424 3.355 77 2HG LYS 7 1HG LYS 7 6.370 -4.703 1.911 78 1HD LYS 7 2HD LYS 7 7.781 -2.707 3.179 79 2HD LYS 7 1HD LYS 7 7.177 -3.655 4.537 80 1HE LYS 7 2HE LYS 7 8.513 -5.441 4.036 81 2HE LYS 7 1HE LYS 7 8.249 -5.262 2.290 82 1HZ LYS 7 1HZ LYS 7 10.523 -4.661 2.912 83 2HZ LYS 7 2HZ LYS 7 9.928 -3.469 3.968 84 3HZ LYS 7 3HZ LYS 7 9.683 -3.325 2.293 85 H ILE 8 H ILE 8 2.388 -4.218 3.371 86 HA ILE 8 HA ILE 8 2.304 -6.064 1.016 87 HB ILE 8 HB ILE 8 2.182 -6.396 3.992 88 1HG1 ILE 8 2HG1 ILE 8 3.476 -8.009 1.779 89 2HG1 ILE 8 1HG1 ILE 8 4.276 -6.714 2.671 90 1HG2 ILE 8 1HG2 ILE 8 1.115 -8.440 2.022 91 2HG2 ILE 8 2HG2 ILE 8 0.108 -7.476 3.099 92 3HG2 ILE 8 3HG2 ILE 8 1.250 -8.638 3.769 93 1HD1 ILE 8 1HD1 ILE 8 3.590 -8.038 4.792 94 2HD1 ILE 8 2HD1 ILE 8 4.928 -8.662 3.829 95 3HD1 ILE 8 3HD1 ILE 8 3.326 -9.389 3.689 96 HA PRO 9 HA PRO 9 -2.277 -5.895 2.234 97 1HB PRO 9 2HB PRO 9 -3.048 -4.531 4.477 98 2HB PRO 9 1HB PRO 9 -2.567 -6.239 4.499 99 1HG PRO 9 2HG PRO 9 -0.991 -3.822 5.238 100 2HG PRO 9 1HG PRO 9 -1.057 -5.408 6.022 101 1HD PRO 9 2HD PRO 9 0.973 -4.655 4.395 102 2HD PRO 9 1HD PRO 9 0.445 -6.340 4.568 103 H LYS 10 H LYS 10 -0.855 -3.907 0.751 104 HA LYS 10 HA LYS 10 -1.985 -1.269 1.360 105 1HB LYS 10 2HB LYS 10 -0.318 -2.540 -0.812 106 2HB LYS 10 1HB LYS 10 -0.983 -0.922 -1.042 107 1HG LYS 10 2HG LYS 10 0.157 -1.052 1.580 108 2HG LYS 10 1HG LYS 10 1.343 -1.672 0.432 109 1HD LYS 10 2HD LYS 10 1.430 0.332 -0.767 110 2HD LYS 10 1HD LYS 10 -0.157 0.854 -0.200 111 1HE LYS 10 2HE LYS 10 0.879 0.978 2.147 112 2HE LYS 10 1HE LYS 10 2.452 0.836 1.338 113 1HZ LYS 10 1HZ LYS 10 1.203 2.634 -0.209 114 2HZ LYS 10 2HZ LYS 10 2.241 3.046 1.072 115 3HZ LYS 10 3HZ LYS 10 0.560 3.031 1.310 116 H PHE 11 H PHE 11 -2.974 -4.138 -0.200 117 HA PHE 11 HA PHE 11 -4.715 -3.100 -2.241 118 1HB PHE 11 2HB PHE 11 -4.205 -5.328 -2.534 119 2HB PHE 11 1HB PHE 11 -4.099 -5.630 -0.803 120 HD1 PHE 11 HD1 PHE 11 -5.958 -6.449 0.435 121 HD2 PHE 11 HD2 PHE 11 -6.467 -5.191 -3.640 122 HE1 PHE 11 HE1 PHE 11 -8.229 -7.444 0.414 123 HE2 PHE 11 HE2 PHE 11 -8.739 -6.188 -3.664 124 HZ PHE 11 HZ PHE 11 -9.620 -7.315 -1.636 125 H LEU 12 H LEU 12 -5.312 -4.217 1.115 126 HA LEU 12 HA LEU 12 -8.081 -3.921 1.297 127 1HB LEU 12 2HB LEU 12 -5.742 -3.552 3.131 128 2HB LEU 12 1HB LEU 12 -7.339 -3.089 3.720 129 HG LEU 12 HG LEU 12 -7.221 -5.705 2.344 130 1HD1 LEU 12 1HD1 LEU 12 -5.361 -6.372 3.474 131 2HD1 LEU 12 2HD1 LEU 12 -6.451 -6.471 4.858 132 3HD1 LEU 12 3HD1 LEU 12 -5.459 -5.032 4.617 133 1HD2 LEU 12 1HD2 LEU 12 -9.215 -4.705 3.529 134 2HD2 LEU 12 2HD2 LEU 12 -8.328 -4.874 5.043 135 3HD2 LEU 12 3HD2 LEU 12 -8.765 -6.306 4.112 136 H HIS 13 H HIS 13 -5.689 -1.420 0.907 137 HA HIS 13 HA HIS 13 -7.018 0.833 1.992 138 1HB HIS 13 2HB HIS 13 -4.659 0.470 0.964 139 2HB HIS 13 1HB HIS 13 -5.435 0.842 -0.575 140 HD1 HIS 13 HD1 HIS 13 -6.552 3.246 -0.786 141 HD2 HIS 13 HD2 HIS 13 -4.206 2.689 2.615 142 HE1 HIS 13 HE1 HIS 13 -6.121 5.551 0.174 143 H SER 14 H SER 14 -7.552 -0.892 -1.053 144 HA SER 14 HA SER 14 -9.158 1.152 -2.307 145 1HB SER 14 2HB SER 14 -9.422 -1.808 -2.784 146 2HB SER 14 1HB SER 14 -9.480 -0.496 -3.958 147 HG SER 14 HG SER 14 -7.461 -1.851 -3.708 148 H ALA 15 H ALA 15 -9.770 -1.166 0.158 149 HA ALA 15 HA ALA 15 -12.651 -1.367 -0.181 150 1HB ALA 15 1HB ALA 15 -11.277 -1.771 2.446 151 2HB ALA 15 2HB ALA 15 -10.795 -2.804 1.100 152 3HB ALA 15 3HB ALA 15 -12.474 -2.787 1.642 153 H LYS 16 H LYS 16 -10.526 0.998 1.175 154 HA LYS 16 HA LYS 16 -12.043 2.155 3.247 155 1HB LYS 16 2HB LYS 16 -9.936 2.913 1.340 156 2HB LYS 16 1HB LYS 16 -10.895 4.283 1.904 157 1HG LYS 16 2HG LYS 16 -10.458 2.778 4.210 158 2HG LYS 16 1HG LYS 16 -8.921 2.689 3.347 159 1HD LYS 16 2HD LYS 16 -8.807 4.655 4.710 160 2HD LYS 16 1HD LYS 16 -9.080 5.217 3.060 161 1HE LYS 16 2HE LYS 16 -11.654 4.760 4.133 162 2HE LYS 16 1HE LYS 16 -10.744 5.624 5.390 163 1HZ LYS 16 1HZ LYS 16 -11.430 6.472 2.683 164 2HZ LYS 16 2HZ LYS 16 -9.884 6.901 3.244 165 3HZ LYS 16 3HZ LYS 16 -11.268 7.395 4.098 166 H LYS 17 H LYS 17 -12.610 2.183 -0.212 167 HA LYS 17 HA LYS 17 -14.374 4.478 -0.271 168 1HB LYS 17 2HB LYS 17 -13.518 2.232 -2.015 169 2HB LYS 17 1HB LYS 17 -15.085 2.947 -2.405 170 1HG LYS 17 2HG LYS 17 -13.538 5.176 -1.940 171 2HG LYS 17 1HG LYS 17 -12.386 4.079 -2.700 172 1HD LYS 17 2HD LYS 17 -13.929 3.726 -4.578 173 2HD LYS 17 1HD LYS 17 -15.117 4.783 -3.814 174 1HE LYS 17 2HE LYS 17 -13.969 6.160 -5.409 175 2HE LYS 17 1HE LYS 17 -13.266 6.589 -3.836 176 1HZ LYS 17 1HZ LYS 17 -11.371 6.099 -4.988 177 2HZ LYS 17 2HZ LYS 17 -12.131 4.964 -5.997 178 3HZ LYS 17 3HZ LYS 17 -11.735 4.551 -4.396 179 H PHE 18 H PHE 18 -14.792 1.084 0.527 180 HA PHE 18 HA PHE 18 -17.710 1.119 0.311 181 1HB PHE 18 2HB PHE 18 -15.857 -0.799 0.207 182 2HB PHE 18 1HB PHE 18 -16.180 -0.871 1.940 183 HD1 PHE 18 HD1 PHE 18 -18.015 -0.691 -1.327 184 HD2 PHE 18 HD2 PHE 18 -17.951 -2.190 2.697 185 HE1 PHE 18 HE1 PHE 18 -20.098 -1.960 -1.768 186 HE2 PHE 18 HE2 PHE 18 -20.036 -3.460 2.257 187 HZ PHE 18 HZ PHE 18 -21.109 -3.346 0.024 188 1HN NH2 19 1HN NH2 19 -15.336 1.347 3.001 189 2HN NH2 19 2HN NH2 19 -16.462 1.841 4.173 Start of MODEL 4 1 1H LYS 1 1H LYS 1 12.283 -9.153 10.118 2 2H LYS 1 2H LYS 1 13.825 -8.598 10.562 3 3H LYS 1 3H LYS 1 13.649 -10.107 9.801 4 HA LYS 1 HA LYS 1 13.799 -7.468 8.634 5 1HB LYS 1 2HB LYS 1 14.065 -10.306 7.587 6 2HB LYS 1 1HB LYS 1 14.713 -8.849 6.831 7 1HG LYS 1 2HG LYS 1 16.397 -8.613 8.401 8 2HG LYS 1 1HG LYS 1 15.471 -9.422 9.667 9 1HD LYS 1 2HD LYS 1 15.790 -11.390 7.721 10 2HD LYS 1 1HD LYS 1 17.344 -10.555 7.736 11 1HE LYS 1 2HE LYS 1 17.816 -11.182 9.915 12 2HE LYS 1 1HE LYS 1 16.104 -11.233 10.378 13 1HZ LYS 1 1HZ LYS 1 17.698 -13.231 8.940 14 2HZ LYS 1 2HZ LYS 1 16.052 -13.085 8.546 15 3HZ LYS 1 3HZ LYS 1 16.518 -13.456 10.138 16 H TRP 2 H TRP 2 12.071 -10.461 7.681 17 HA TRP 2 HA TRP 2 10.228 -8.923 5.988 18 1HB TRP 2 2HB TRP 2 9.362 -11.223 5.509 19 2HB TRP 2 1HB TRP 2 11.102 -11.080 5.276 20 HD1 TRP 2 HD1 TRP 2 10.386 -11.123 8.889 21 HE1 TRP 2 HE1 TRP 2 10.823 -13.458 9.879 22 HE3 TRP 2 HE3 TRP 2 10.769 -13.849 4.587 23 HZ2 TRP 2 HZ2 TRP 2 11.272 -16.131 8.973 24 HZ3 TRP 2 HZ3 TRP 2 11.201 -16.288 4.680 25 HH2 TRP 2 HH2 TRP 2 11.453 -17.431 6.867 26 H LYS 3 H LYS 3 10.136 -8.589 9.021 27 HA LYS 3 HA LYS 3 7.669 -9.857 9.895 28 1HB LYS 3 2HB LYS 3 9.843 -8.740 11.084 29 2HB LYS 3 1HB LYS 3 8.688 -7.414 11.227 30 1HG LYS 3 2HG LYS 3 7.818 -8.477 13.012 31 2HG LYS 3 1HG LYS 3 7.233 -9.717 11.903 32 1HD LYS 3 2HD LYS 3 10.047 -9.756 13.003 33 2HD LYS 3 1HD LYS 3 8.703 -10.524 13.847 34 1HE LYS 3 2HE LYS 3 8.649 -11.274 11.051 35 2HE LYS 3 1HE LYS 3 10.235 -11.644 11.757 36 1HZ LYS 3 1HZ LYS 3 7.566 -12.457 12.765 37 2HZ LYS 3 2HZ LYS 3 8.970 -12.542 13.719 38 3HZ LYS 3 3HZ LYS 3 8.849 -13.462 12.295 39 H LEU 4 H LEU 4 8.519 -6.905 8.293 40 HA LEU 4 HA LEU 4 5.928 -5.597 8.796 41 1HB LEU 4 2HB LEU 4 6.944 -3.807 7.460 42 2HB LEU 4 1HB LEU 4 8.117 -4.403 8.636 43 HG LEU 4 HG LEU 4 8.587 -6.078 6.525 44 1HD1 LEU 4 1HD1 LEU 4 8.749 -4.535 4.534 45 2HD1 LEU 4 2HD1 LEU 4 7.787 -3.365 5.437 46 3HD1 LEU 4 3HD1 LEU 4 7.096 -4.931 5.008 47 1HD2 LEU 4 1HD2 LEU 4 9.816 -3.361 7.087 48 2HD2 LEU 4 2HD2 LEU 4 10.561 -4.610 6.089 49 3HD2 LEU 4 3HD2 LEU 4 10.298 -4.896 7.810 50 H PHE 5 H PHE 5 6.992 -7.998 6.722 51 HA PHE 5 HA PHE 5 5.718 -7.238 4.246 52 1HB PHE 5 2HB PHE 5 7.390 -9.232 5.256 53 2HB PHE 5 1HB PHE 5 5.921 -10.091 4.795 54 HD1 PHE 5 HD1 PHE 5 4.895 -9.283 2.439 55 HD2 PHE 5 HD2 PHE 5 9.008 -8.906 3.622 56 HE1 PHE 5 HE1 PHE 5 5.568 -9.139 0.056 57 HE2 PHE 5 HE2 PHE 5 9.679 -8.761 1.239 58 HZ PHE 5 HZ PHE 5 7.960 -8.878 -0.544 59 H LYS 6 H LYS 6 4.469 -8.280 7.231 60 HA LYS 6 HA LYS 6 1.917 -9.188 5.946 61 1HB LYS 6 2HB LYS 6 3.585 -10.490 7.677 62 2HB LYS 6 1HB LYS 6 2.441 -9.754 8.800 63 1HG LYS 6 2HG LYS 6 0.654 -10.667 7.075 64 2HG LYS 6 1HG LYS 6 1.950 -11.789 6.659 65 1HD LYS 6 2HD LYS 6 2.090 -12.600 8.915 66 2HD LYS 6 1HD LYS 6 1.030 -11.321 9.505 67 1HE LYS 6 2HE LYS 6 -0.834 -12.254 8.147 68 2HE LYS 6 1HE LYS 6 0.232 -13.572 7.624 69 1HZ LYS 6 1HZ LYS 6 0.302 -14.476 9.694 70 2HZ LYS 6 2HZ LYS 6 -1.240 -13.771 9.795 71 3HZ LYS 6 3HZ LYS 6 0.101 -12.990 10.485 72 H LYS 7 H LYS 7 2.730 -6.336 6.615 73 HA LYS 7 HA LYS 7 0.370 -5.738 8.354 74 1HB LYS 7 2HB LYS 7 1.861 -3.962 9.411 75 2HB LYS 7 1HB LYS 7 2.269 -5.631 9.808 76 1HG LYS 7 2HG LYS 7 4.109 -5.652 8.306 77 2HG LYS 7 1HG LYS 7 3.571 -4.176 7.503 78 1HD LYS 7 2HD LYS 7 5.486 -3.804 9.086 79 2HD LYS 7 1HD LYS 7 4.052 -2.856 9.485 80 1HE LYS 7 2HE LYS 7 3.940 -5.469 10.763 81 2HE LYS 7 1HE LYS 7 5.413 -4.592 11.222 82 1HZ LYS 7 1HZ LYS 7 3.752 -2.592 11.320 83 2HZ LYS 7 2HZ LYS 7 3.911 -3.645 12.646 84 3HZ LYS 7 3HZ LYS 7 2.604 -3.815 11.574 85 H ILE 8 H ILE 8 1.388 -5.456 5.371 86 HA ILE 8 HA ILE 8 0.770 -2.538 5.077 87 HB ILE 8 HB ILE 8 2.241 -4.557 3.359 88 1HG1 ILE 8 2HG1 ILE 8 3.410 -3.578 5.366 89 2HG1 ILE 8 1HG1 ILE 8 4.182 -3.177 3.833 90 1HG2 ILE 8 1HG2 ILE 8 2.452 -1.783 2.518 91 2HG2 ILE 8 2HG2 ILE 8 0.777 -2.335 2.473 92 3HG2 ILE 8 3HG2 ILE 8 2.016 -3.205 1.569 93 1HD1 ILE 8 1HD1 ILE 8 3.092 -0.987 3.816 94 2HD1 ILE 8 2HD1 ILE 8 3.978 -1.196 5.328 95 3HD1 ILE 8 3HD1 ILE 8 2.225 -1.384 5.299 96 HA PRO 9 HA PRO 9 -2.950 -4.588 3.429 97 1HB PRO 9 2HB PRO 9 -4.700 -2.694 4.322 98 2HB PRO 9 1HB PRO 9 -4.105 -4.013 5.349 99 1HG PRO 9 2HG PRO 9 -3.341 -1.157 5.310 100 2HG PRO 9 1HG PRO 9 -3.382 -2.299 6.660 101 1HD PRO 9 2HD PRO 9 -1.101 -1.477 5.281 102 2HD PRO 9 1HD PRO 9 -1.221 -2.892 6.348 103 H LYS 10 H LYS 10 -1.079 -2.540 2.065 104 HA LYS 10 HA LYS 10 -2.360 -0.397 0.852 105 1HB LYS 10 2HB LYS 10 -0.308 -2.412 0.078 106 2HB LYS 10 1HB LYS 10 -0.970 -1.430 -1.230 107 1HG LYS 10 2HG LYS 10 -0.438 0.262 1.033 108 2HG LYS 10 1HG LYS 10 1.007 -0.677 0.662 109 1HD LYS 10 2HD LYS 10 1.084 1.343 -0.663 110 2HD LYS 10 1HD LYS 10 0.733 -0.003 -1.750 111 1HE LYS 10 2HE LYS 10 -1.325 0.824 -2.275 112 2HE LYS 10 1HE LYS 10 -1.681 1.231 -0.584 113 1HZ LYS 10 1HZ LYS 10 0.223 2.965 -1.000 114 2HZ LYS 10 2HZ LYS 10 -1.382 3.316 -1.438 115 3HZ LYS 10 3HZ LYS 10 -0.269 2.808 -2.616 116 H PHE 11 H PHE 11 -2.824 -3.836 0.206 117 HA PHE 11 HA PHE 11 -4.412 -3.568 -2.183 118 1HB PHE 11 2HB PHE 11 -3.208 -5.601 -1.293 119 2HB PHE 11 1HB PHE 11 -4.446 -5.721 -0.044 120 HD1 PHE 11 HD1 PHE 11 -4.693 -4.830 -3.675 121 HD2 PHE 11 HD2 PHE 11 -5.782 -7.578 -0.558 122 HE1 PHE 11 HE1 PHE 11 -6.168 -6.041 -5.258 123 HE2 PHE 11 HE2 PHE 11 -7.259 -8.787 -2.140 124 HZ PHE 11 HZ PHE 11 -7.452 -8.019 -4.491 125 H LEU 12 H LEU 12 -5.299 -4.022 1.255 126 HA LEU 12 HA LEU 12 -8.146 -3.881 0.821 127 1HB LEU 12 2HB LEU 12 -6.318 -3.468 3.204 128 2HB LEU 12 1HB LEU 12 -8.077 -3.490 3.337 129 HG LEU 12 HG LEU 12 -7.167 -5.752 1.780 130 1HD1 LEU 12 1HD1 LEU 12 -5.144 -5.244 3.335 131 2HD1 LEU 12 2HD1 LEU 12 -5.782 -6.887 3.312 132 3HD1 LEU 12 3HD1 LEU 12 -6.199 -5.796 4.634 133 1HD2 LEU 12 1HD2 LEU 12 -8.286 -6.825 3.957 134 2HD2 LEU 12 2HD2 LEU 12 -9.260 -6.023 2.725 135 3HD2 LEU 12 3HD2 LEU 12 -8.821 -5.162 4.200 136 H HIS 13 H HIS 13 -5.677 -1.493 0.856 137 HA HIS 13 HA HIS 13 -6.830 0.796 1.956 138 1HB HIS 13 2HB HIS 13 -4.584 0.339 0.718 139 2HB HIS 13 1HB HIS 13 -5.470 0.792 -0.737 140 HD1 HIS 13 HD1 HIS 13 -5.765 3.251 -1.173 141 HD2 HIS 13 HD2 HIS 13 -4.579 2.492 2.752 142 HE1 HIS 13 HE1 HIS 13 -5.311 5.506 -0.112 143 H SER 14 H SER 14 -7.589 -0.760 -1.144 144 HA SER 14 HA SER 14 -9.279 1.350 -2.150 145 1HB SER 14 2HB SER 14 -8.545 -0.133 -3.782 146 2HB SER 14 1HB SER 14 -8.714 -1.531 -2.723 147 HG SER 14 HG SER 14 -10.328 -1.336 -4.421 148 H ALA 15 H ALA 15 -9.735 -1.175 0.152 149 HA ALA 15 HA ALA 15 -12.588 -1.477 0.003 150 1HB ALA 15 1HB ALA 15 -10.853 -1.689 2.473 151 2HB ALA 15 2HB ALA 15 -10.794 -2.891 1.184 152 3HB ALA 15 3HB ALA 15 -12.292 -2.628 2.078 153 H LYS 16 H LYS 16 -10.572 1.069 1.146 154 HA LYS 16 HA LYS 16 -12.180 2.217 3.202 155 1HB LYS 16 2HB LYS 16 -9.792 2.706 1.888 156 2HB LYS 16 1HB LYS 16 -10.789 4.079 1.404 157 1HG LYS 16 2HG LYS 16 -11.400 4.160 3.966 158 2HG LYS 16 1HG LYS 16 -9.889 3.269 4.149 159 1HD LYS 16 2HD LYS 16 -9.257 5.301 2.346 160 2HD LYS 16 1HD LYS 16 -10.306 6.088 3.526 161 1HE LYS 16 2HE LYS 16 -8.856 5.016 5.344 162 2HE LYS 16 1HE LYS 16 -7.712 4.611 4.050 163 1HZ LYS 16 1HZ LYS 16 -6.980 6.696 4.177 164 2HZ LYS 16 2HZ LYS 16 -8.213 7.138 5.259 165 3HZ LYS 16 3HZ LYS 16 -8.479 7.220 3.583 166 H LYS 17 H LYS 17 -12.771 1.904 -0.165 167 HA LYS 17 HA LYS 17 -14.204 4.257 -0.816 168 1HB LYS 17 2HB LYS 17 -14.362 1.350 -1.616 169 2HB LYS 17 1HB LYS 17 -15.452 2.539 -2.329 170 1HG LYS 17 2HG LYS 17 -12.994 3.793 -2.503 171 2HG LYS 17 1HG LYS 17 -12.594 2.104 -2.820 172 1HD LYS 17 2HD LYS 17 -14.267 1.988 -4.582 173 2HD LYS 17 1HD LYS 17 -14.818 3.621 -4.211 174 1HE LYS 17 2HE LYS 17 -13.317 3.697 -6.154 175 2HE LYS 17 1HE LYS 17 -12.508 4.461 -4.771 176 1HZ LYS 17 1HZ LYS 17 -11.236 2.579 -4.366 177 2HZ LYS 17 2HZ LYS 17 -11.240 2.656 -6.063 178 3HZ LYS 17 3HZ LYS 17 -12.258 1.559 -5.257 179 H PHE 18 H PHE 18 -15.130 1.495 1.159 180 HA PHE 18 HA PHE 18 -17.978 2.129 1.184 181 1HB PHE 18 2HB PHE 18 -16.856 -0.128 1.502 182 2HB PHE 18 1HB PHE 18 -16.332 0.435 3.086 183 HD1 PHE 18 HD1 PHE 18 -19.580 1.478 1.662 184 HD2 PHE 18 HD2 PHE 18 -17.584 -1.288 4.277 185 HE1 PHE 18 HE1 PHE 18 -21.761 0.809 2.622 186 HE2 PHE 18 HE2 PHE 18 -19.770 -1.955 5.235 187 HZ PHE 18 HZ PHE 18 -21.858 -0.907 4.408 188 1HN NH2 19 1HN NH2 19 -15.539 2.179 3.861 189 2HN NH2 19 2HN NH2 19 -16.230 3.500 4.673 Start of MODEL 5 1 1H LYS 1 1H LYS 1 3.964 0.256 -20.412 2 2H LYS 1 2H LYS 1 5.063 -0.272 -19.229 3 3H LYS 1 3H LYS 1 4.028 1.037 -18.907 4 HA LYS 1 HA LYS 1 2.191 -0.782 -19.455 5 1HB LYS 1 2HB LYS 1 4.758 -2.156 -18.653 6 2HB LYS 1 1HB LYS 1 3.192 -2.904 -18.340 7 1HG LYS 1 2HG LYS 1 3.264 -3.696 -20.450 8 2HG LYS 1 1HG LYS 1 3.030 -2.033 -20.994 9 1HD LYS 1 2HD LYS 1 5.758 -2.231 -20.321 10 2HD LYS 1 1HD LYS 1 5.385 -3.702 -21.219 11 1HE LYS 1 2HE LYS 1 4.435 -1.022 -22.237 12 2HE LYS 1 1HE LYS 1 6.077 -1.597 -22.588 13 1HZ LYS 1 1HZ LYS 1 3.850 -3.473 -22.908 14 2HZ LYS 1 2HZ LYS 1 5.317 -3.380 -23.762 15 3HZ LYS 1 3HZ LYS 1 4.061 -2.288 -24.105 16 H TRP 2 H TRP 2 1.313 -1.841 -17.318 17 HA TRP 2 HA TRP 2 2.323 -0.487 -14.875 18 1HB TRP 2 2HB TRP 2 0.382 0.771 -14.538 19 2HB TRP 2 1HB TRP 2 0.520 0.829 -16.292 20 HD1 TRP 2 HD1 TRP 2 -0.580 -1.997 -17.044 21 HE1 TRP 2 HE1 TRP 2 -3.071 -2.565 -16.701 22 HE3 TRP 2 HE3 TRP 2 -1.820 1.524 -13.555 23 HZ2 TRP 2 HZ2 TRP 2 -5.295 -1.651 -15.153 24 HZ3 TRP 2 HZ3 TRP 2 -4.131 1.652 -12.667 25 HH2 TRP 2 HH2 TRP 2 -5.867 0.070 -13.460 26 H LYS 3 H LYS 3 1.879 -3.330 -16.038 27 HA LYS 3 HA LYS 3 -0.187 -4.561 -14.431 28 1HB LYS 3 2HB LYS 3 0.523 -6.500 -15.509 29 2HB LYS 3 1HB LYS 3 1.140 -5.277 -16.617 30 1HG LYS 3 2HG LYS 3 3.220 -5.441 -14.873 31 2HG LYS 3 1HG LYS 3 2.615 -7.096 -14.800 32 1HD LYS 3 2HD LYS 3 3.220 -7.553 -16.951 33 2HD LYS 3 1HD LYS 3 2.814 -5.932 -17.517 34 1HE LYS 3 2HE LYS 3 5.174 -5.966 -17.680 35 2HE LYS 3 1HE LYS 3 4.910 -5.203 -16.100 36 1HZ LYS 3 1HZ LYS 3 5.717 -7.963 -16.715 37 2HZ LYS 3 2HZ LYS 3 4.814 -7.668 -15.308 38 3HZ LYS 3 3HZ LYS 3 6.317 -6.909 -15.529 39 H LEU 4 H LEU 4 2.719 -3.182 -13.523 40 HA LEU 4 HA LEU 4 3.705 -5.094 -11.607 41 1HB LEU 4 2HB LEU 4 4.227 -2.399 -12.547 42 2HB LEU 4 1HB LEU 4 4.388 -2.490 -10.790 43 HG LEU 4 HG LEU 4 5.698 -4.391 -12.747 44 1HD1 LEU 4 1HD1 LEU 4 7.492 -2.798 -11.124 45 2HD1 LEU 4 2HD1 LEU 4 6.429 -1.755 -12.069 46 3HD1 LEU 4 3HD1 LEU 4 7.434 -2.957 -12.879 47 1HD2 LEU 4 1HD2 LEU 4 6.736 -4.192 -10.015 48 2HD2 LEU 4 2HD2 LEU 4 6.318 -5.627 -10.952 49 3HD2 LEU 4 3HD2 LEU 4 5.065 -4.751 -10.071 50 H PHE 5 H PHE 5 0.864 -3.318 -11.645 51 HA PHE 5 HA PHE 5 0.625 -2.545 -8.879 52 1HB PHE 5 2HB PHE 5 -0.773 -1.663 -10.712 53 2HB PHE 5 1HB PHE 5 -1.451 -3.271 -10.973 54 HD1 PHE 5 HD1 PHE 5 -3.047 -4.242 -9.420 55 HD2 PHE 5 HD2 PHE 5 -1.319 -0.381 -8.677 56 HE1 PHE 5 HE1 PHE 5 -4.731 -3.829 -7.648 57 HE2 PHE 5 HE2 PHE 5 -3.004 0.033 -6.906 58 HZ PHE 5 HZ PHE 5 -4.710 -1.691 -6.390 59 H LYS 6 H LYS 6 0.730 -5.576 -10.367 60 HA LYS 6 HA LYS 6 -1.145 -7.098 -8.836 61 1HB LYS 6 2HB LYS 6 0.992 -7.459 -10.724 62 2HB LYS 6 1HB LYS 6 1.201 -8.618 -9.409 63 1HG LYS 6 2HG LYS 6 -1.448 -8.881 -9.770 64 2HG LYS 6 1HG LYS 6 -1.001 -8.390 -11.403 65 1HD LYS 6 2HD LYS 6 -0.673 -10.662 -11.608 66 2HD LYS 6 1HD LYS 6 0.923 -10.205 -11.012 67 1HE LYS 6 2HE LYS 6 -0.903 -10.587 -8.788 68 2HE LYS 6 1HE LYS 6 -0.838 -12.039 -9.806 69 1HZ LYS 6 1HZ LYS 6 1.674 -10.640 -9.301 70 2HZ LYS 6 2HZ LYS 6 1.375 -12.304 -9.470 71 3HZ LYS 6 3HZ LYS 6 1.017 -11.518 -8.007 72 H LYS 7 H LYS 7 2.094 -5.894 -8.126 73 HA LYS 7 HA LYS 7 2.091 -7.366 -5.528 74 1HB LYS 7 2HB LYS 7 4.015 -7.559 -7.086 75 2HB LYS 7 1HB LYS 7 4.248 -5.812 -6.977 76 1HG LYS 7 2HG LYS 7 4.991 -5.902 -4.793 77 2HG LYS 7 1HG LYS 7 4.093 -7.377 -4.440 78 1HD LYS 7 2HD LYS 7 5.766 -8.361 -6.295 79 2HD LYS 7 1HD LYS 7 6.779 -7.049 -5.689 80 1HE LYS 7 2HE LYS 7 7.245 -9.034 -4.356 81 2HE LYS 7 1HE LYS 7 6.318 -7.910 -3.341 82 1HZ LYS 7 1HZ LYS 7 4.888 -9.814 -5.065 83 2HZ LYS 7 2HZ LYS 7 4.391 -9.105 -3.602 84 3HZ LYS 7 3HZ LYS 7 5.530 -10.366 -3.595 85 H ILE 8 H ILE 8 0.327 -5.600 -5.068 86 HA ILE 8 HA ILE 8 1.697 -3.238 -3.834 87 HB ILE 8 HB ILE 8 -1.027 -3.323 -5.172 88 1HG1 ILE 8 2HG1 ILE 8 0.883 -3.629 -6.762 89 2HG1 ILE 8 1HG1 ILE 8 0.023 -2.110 -7.014 90 1HG2 ILE 8 1HG2 ILE 8 0.321 -1.422 -3.450 91 2HG2 ILE 8 2HG2 ILE 8 -1.327 -1.378 -4.076 92 3HG2 ILE 8 3HG2 ILE 8 -0.003 -0.707 -5.028 93 1HD1 ILE 8 1HD1 ILE 8 2.736 -2.571 -5.812 94 2HD1 ILE 8 2HD1 ILE 8 1.805 -1.151 -5.332 95 3HD1 ILE 8 3HD1 ILE 8 2.241 -1.391 -7.024 96 HA PRO 9 HA PRO 9 -0.408 -5.096 -0.362 97 1HB PRO 9 2HB PRO 9 0.679 -3.461 1.538 98 2HB PRO 9 1HB PRO 9 1.561 -4.820 0.813 99 1HG PRO 9 2HG PRO 9 1.774 -1.914 0.255 100 2HG PRO 9 1HG PRO 9 3.029 -3.162 0.255 101 1HD PRO 9 2HD PRO 9 1.850 -2.121 -2.009 102 2HD PRO 9 1HD PRO 9 2.660 -3.701 -1.924 103 H LYS 10 H LYS 10 -1.027 -2.209 -1.862 104 HA LYS 10 HA LYS 10 -2.669 -0.970 0.253 105 1HB LYS 10 2HB LYS 10 -1.271 -0.050 -1.894 106 2HB LYS 10 1HB LYS 10 -2.892 -0.134 -2.586 107 1HG LYS 10 2HG LYS 10 -3.637 1.605 -1.339 108 2HG LYS 10 1HG LYS 10 -2.839 1.012 0.118 109 1HD LYS 10 2HD LYS 10 -1.058 2.055 -2.020 110 2HD LYS 10 1HD LYS 10 -2.047 3.250 -1.179 111 1HE LYS 10 2HE LYS 10 -1.108 1.670 0.902 112 2HE LYS 10 1HE LYS 10 0.284 1.763 -0.196 113 1HZ LYS 10 1HZ LYS 10 -0.337 4.217 -0.389 114 2HZ LYS 10 2HZ LYS 10 0.423 3.717 1.045 115 3HZ LYS 10 3HZ LYS 10 -1.255 3.978 1.017 116 H PHE 11 H PHE 11 -3.232 -3.735 -1.120 117 HA PHE 11 HA PHE 11 -5.618 -3.538 -2.668 118 1HB PHE 11 2HB PHE 11 -4.275 -5.559 -2.507 119 2HB PHE 11 1HB PHE 11 -4.546 -5.647 -0.767 120 HD1 PHE 11 HD1 PHE 11 -6.244 -7.042 0.012 121 HD2 PHE 11 HD2 PHE 11 -6.515 -5.421 -3.958 122 HE1 PHE 11 HE1 PHE 11 -8.324 -8.337 -0.377 123 HE2 PHE 11 HE2 PHE 11 -8.595 -6.716 -4.346 124 HZ PHE 11 HZ PHE 11 -9.499 -8.174 -2.554 125 H LEU 12 H LEU 12 -5.132 -3.877 0.853 126 HA LEU 12 HA LEU 12 -7.976 -3.896 1.460 127 1HB LEU 12 2HB LEU 12 -5.393 -4.089 2.793 128 2HB LEU 12 1HB LEU 12 -6.520 -3.098 3.720 129 HG LEU 12 HG LEU 12 -7.626 -5.604 2.574 130 1HD1 LEU 12 1HD1 LEU 12 -5.518 -5.526 4.738 131 2HD1 LEU 12 2HD1 LEU 12 -5.583 -6.564 3.313 132 3HD1 LEU 12 3HD1 LEU 12 -6.710 -6.825 4.644 133 1HD2 LEU 12 1HD2 LEU 12 -7.871 -3.956 5.085 134 2HD2 LEU 12 2HD2 LEU 12 -8.505 -5.600 5.033 135 3HD2 LEU 12 3HD2 LEU 12 -9.122 -4.382 3.916 136 H HIS 13 H HIS 13 -5.530 -1.410 1.042 137 HA HIS 13 HA HIS 13 -6.873 0.726 2.418 138 1HB HIS 13 2HB HIS 13 -4.481 0.283 1.077 139 2HB HIS 13 1HB HIS 13 -5.308 1.448 0.044 140 HD1 HIS 13 HD1 HIS 13 -6.534 3.460 1.659 141 HD2 HIS 13 HD2 HIS 13 -3.066 1.603 3.038 142 HE1 HIS 13 HE1 HIS 13 -5.547 4.999 3.411 143 H SER 14 H SER 14 -7.349 -0.787 -0.691 144 HA SER 14 HA SER 14 -8.884 1.405 -1.857 145 1HB SER 14 2HB SER 14 -7.613 -0.235 -3.190 146 2HB SER 14 1HB SER 14 -8.604 -1.540 -2.543 147 HG SER 14 HG SER 14 -9.259 0.506 -4.353 148 H ALA 15 H ALA 15 -9.500 -0.896 0.527 149 HA ALA 15 HA ALA 15 -12.303 -1.450 -0.050 150 1HB ALA 15 1HB ALA 15 -10.254 -2.364 1.646 151 2HB ALA 15 2HB ALA 15 -11.913 -2.964 1.591 152 3HB ALA 15 3HB ALA 15 -11.473 -1.688 2.728 153 H LYS 16 H LYS 16 -10.607 1.247 1.144 154 HA LYS 16 HA LYS 16 -12.436 2.274 3.099 155 1HB LYS 16 2HB LYS 16 -10.016 2.974 1.776 156 2HB LYS 16 1HB LYS 16 -11.121 4.335 1.582 157 1HG LYS 16 2HG LYS 16 -10.042 4.755 3.647 158 2HG LYS 16 1HG LYS 16 -11.603 4.071 4.101 159 1HD LYS 16 2HD LYS 16 -10.683 2.095 4.833 160 2HD LYS 16 1HD LYS 16 -9.363 2.155 3.663 161 1HE LYS 16 2HE LYS 16 -8.772 4.343 5.191 162 2HE LYS 16 1HE LYS 16 -9.488 3.263 6.405 163 1HZ LYS 16 1HZ LYS 16 -7.193 2.695 6.202 164 2HZ LYS 16 2HZ LYS 16 -7.292 2.627 4.507 165 3HZ LYS 16 3HZ LYS 16 -8.086 1.461 5.455 166 H LYS 17 H LYS 17 -12.802 1.830 -0.256 167 HA LYS 17 HA LYS 17 -14.371 4.147 -0.944 168 1HB LYS 17 2HB LYS 17 -14.995 2.729 -2.872 169 2HB LYS 17 1HB LYS 17 -13.267 2.596 -2.536 170 1HG LYS 17 2HG LYS 17 -13.437 0.431 -1.774 171 2HG LYS 17 1HG LYS 17 -15.067 0.670 -1.143 172 1HD LYS 17 2HD LYS 17 -15.674 0.938 -3.707 173 2HD LYS 17 1HD LYS 17 -14.191 0.010 -3.932 174 1HE LYS 17 2HE LYS 17 -15.194 -1.592 -2.122 175 2HE LYS 17 1HE LYS 17 -16.736 -0.822 -2.547 176 1HZ LYS 17 1HZ LYS 17 -15.691 -2.842 -3.934 177 2HZ LYS 17 2HZ LYS 17 -15.009 -1.531 -4.774 178 3HZ LYS 17 3HZ LYS 17 -16.696 -1.663 -4.624 179 H PHE 18 H PHE 18 -15.017 1.585 1.171 180 HA PHE 18 HA PHE 18 -17.845 1.195 0.668 181 1HB PHE 18 2HB PHE 18 -16.155 -0.298 1.878 182 2HB PHE 18 1HB PHE 18 -16.313 0.801 3.248 183 HD1 PHE 18 HD1 PHE 18 -17.771 -1.984 1.487 184 HD2 PHE 18 HD2 PHE 18 -18.651 1.220 4.208 185 HE1 PHE 18 HE1 PHE 18 -19.847 -3.147 2.186 186 HE2 PHE 18 HE2 PHE 18 -20.727 0.057 4.908 187 HZ PHE 18 HZ PHE 18 -21.325 -2.127 3.896 188 1HN NH2 19 1HN NH2 19 -16.426 2.622 3.663 189 2HN NH2 19 2HN NH2 19 -17.589 3.848 3.820 Start of MODEL 6 1 1H LYS 1 1H LYS 1 6.385 -14.978 7.739 2 2H LYS 1 2H LYS 1 7.687 -16.047 7.961 3 3H LYS 1 3H LYS 1 6.202 -16.624 7.371 4 HA LYS 1 HA LYS 1 8.075 -14.794 5.955 5 1HB LYS 1 2HB LYS 1 8.272 -16.775 4.479 6 2HB LYS 1 1HB LYS 1 8.721 -17.174 6.138 7 1HG LYS 1 2HG LYS 1 5.850 -17.505 5.495 8 2HG LYS 1 1HG LYS 1 6.940 -18.622 4.673 9 1HD LYS 1 2HD LYS 1 7.282 -18.140 7.616 10 2HD LYS 1 1HD LYS 1 6.009 -19.227 7.062 11 1HE LYS 1 2HE LYS 1 7.574 -20.693 6.006 12 2HE LYS 1 1HE LYS 1 8.885 -19.501 6.141 13 1HZ LYS 1 1HZ LYS 1 7.456 -20.348 8.564 14 2HZ LYS 1 2HZ LYS 1 9.050 -19.788 8.396 15 3HZ LYS 1 3HZ LYS 1 8.649 -21.370 7.924 16 H TRP 2 H TRP 2 4.821 -15.718 6.479 17 HA TRP 2 HA TRP 2 4.013 -14.735 3.765 18 1HB TRP 2 2HB TRP 2 2.006 -16.055 4.127 19 2HB TRP 2 1HB TRP 2 3.397 -17.063 4.527 20 HD1 TRP 2 HD1 TRP 2 0.652 -14.964 6.209 21 HE1 TRP 2 HE1 TRP 2 0.332 -15.820 8.619 22 HE3 TRP 2 HE3 TRP 2 4.454 -18.365 6.448 23 HZ2 TRP 2 HZ2 TRP 2 1.530 -17.700 10.412 24 HZ3 TRP 2 HZ3 TRP 2 4.842 -19.673 8.517 25 HH2 TRP 2 HH2 TRP 2 3.387 -19.346 10.497 26 H LYS 3 H LYS 3 3.743 -14.196 7.219 27 HA LYS 3 HA LYS 3 1.481 -12.388 7.128 28 1HB LYS 3 2HB LYS 3 2.063 -13.523 9.166 29 2HB LYS 3 1HB LYS 3 3.726 -12.943 9.084 30 1HG LYS 3 2HG LYS 3 3.189 -10.881 9.911 31 2HG LYS 3 1HG LYS 3 1.632 -10.843 9.083 32 1HD LYS 3 2HD LYS 3 0.743 -11.236 11.133 33 2HD LYS 3 1HD LYS 3 1.278 -12.898 10.884 34 1HE LYS 3 2HE LYS 3 3.590 -11.671 11.781 35 2HE LYS 3 1HE LYS 3 2.326 -10.873 12.738 36 1HZ LYS 3 1HZ LYS 3 1.378 -13.253 12.925 37 2HZ LYS 3 2HZ LYS 3 2.679 -12.808 13.924 38 3HZ LYS 3 3HZ LYS 3 2.954 -13.746 12.534 39 H LEU 4 H LEU 4 4.600 -12.078 5.950 40 HA LEU 4 HA LEU 4 5.192 -9.332 6.664 41 1HB LEU 4 2HB LEU 4 6.112 -11.316 4.581 42 2HB LEU 4 1HB LEU 4 6.763 -9.682 4.634 43 HG LEU 4 HG LEU 4 7.903 -11.707 5.952 44 1HD1 LEU 4 1HD1 LEU 4 9.225 -9.960 6.448 45 2HD1 LEU 4 2HD1 LEU 4 8.116 -9.510 7.744 46 3HD1 LEU 4 3HD1 LEU 4 7.896 -8.845 6.125 47 1HD2 LEU 4 1HD2 LEU 4 7.261 -11.670 8.331 48 2HD2 LEU 4 2HD2 LEU 4 5.908 -12.196 7.331 49 3HD2 LEU 4 3HD2 LEU 4 5.948 -10.550 7.966 50 H PHE 5 H PHE 5 3.134 -10.847 4.395 51 HA PHE 5 HA PHE 5 3.039 -8.916 2.299 52 1HB PHE 5 2HB PHE 5 1.966 -11.346 2.801 53 2HB PHE 5 1HB PHE 5 0.560 -10.333 3.127 54 HD1 PHE 5 HD1 PHE 5 -0.035 -8.533 1.348 55 HD2 PHE 5 HD2 PHE 5 2.536 -11.890 0.588 56 HE1 PHE 5 HE1 PHE 5 -0.412 -8.271 -1.089 57 HE2 PHE 5 HE2 PHE 5 2.159 -11.628 -1.848 58 HZ PHE 5 HZ PHE 5 0.686 -9.818 -2.688 59 H LYS 6 H LYS 6 2.071 -8.643 5.541 60 HA LYS 6 HA LYS 6 -0.157 -6.790 5.132 61 1HB LYS 6 2HB LYS 6 1.204 -8.214 7.274 62 2HB LYS 6 1HB LYS 6 0.861 -6.547 7.738 63 1HG LYS 6 2HG LYS 6 -1.477 -7.305 6.480 64 2HG LYS 6 1HG LYS 6 -0.992 -8.786 7.308 65 1HD LYS 6 2HD LYS 6 -0.908 -6.160 8.771 66 2HD LYS 6 1HD LYS 6 -2.437 -7.023 8.600 67 1HE LYS 6 2HE LYS 6 -1.817 -8.653 10.076 68 2HE LYS 6 1HE LYS 6 -0.155 -8.709 9.454 69 1HZ LYS 6 1HZ LYS 6 -0.027 -6.342 10.452 70 2HZ LYS 6 2HZ LYS 6 0.137 -7.682 11.483 71 3HZ LYS 6 3HZ LYS 6 -1.340 -6.844 11.402 72 H LYS 7 H LYS 7 3.043 -6.428 4.506 73 HA LYS 7 HA LYS 7 3.786 -3.999 5.833 74 1HB LYS 7 2HB LYS 7 4.557 -5.264 3.185 75 2HB LYS 7 1HB LYS 7 5.410 -3.893 3.897 76 1HG LYS 7 2HG LYS 7 4.971 -6.209 5.698 77 2HG LYS 7 1HG LYS 7 6.100 -6.474 4.369 78 1HD LYS 7 2HD LYS 7 6.837 -3.975 5.275 79 2HD LYS 7 1HD LYS 7 6.398 -4.805 6.769 80 1HE LYS 7 2HE LYS 7 8.714 -5.314 6.435 81 2HE LYS 7 1HE LYS 7 7.851 -6.764 5.884 82 1HZ LYS 7 1HZ LYS 7 8.293 -4.561 3.994 83 2HZ LYS 7 2HZ LYS 7 8.134 -6.224 3.690 84 3HZ LYS 7 3HZ LYS 7 9.583 -5.611 4.329 85 H ILE 8 H ILE 8 2.655 -4.454 2.456 86 HA ILE 8 HA ILE 8 1.832 -1.584 2.418 87 HB ILE 8 HB ILE 8 2.539 -3.693 0.381 88 1HG1 ILE 8 2HG1 ILE 8 4.156 -2.036 -0.325 89 2HG1 ILE 8 1HG1 ILE 8 3.413 -0.806 0.699 90 1HG2 ILE 8 1HG2 ILE 8 0.722 -2.862 -0.789 91 2HG2 ILE 8 2HG2 ILE 8 1.939 -1.671 -1.246 92 3HG2 ILE 8 3HG2 ILE 8 0.778 -1.299 0.027 93 1HD1 ILE 8 1HD1 ILE 8 4.115 -1.904 2.697 94 2HD1 ILE 8 2HD1 ILE 8 5.521 -1.917 1.632 95 3HD1 ILE 8 3HD1 ILE 8 4.546 -3.374 1.823 96 HA PRO 9 HA PRO 9 -2.232 -3.517 2.878 97 1HB PRO 9 2HB PRO 9 -3.428 -1.295 3.929 98 2HB PRO 9 1HB PRO 9 -2.460 -2.420 4.901 99 1HG PRO 9 2HG PRO 9 -1.749 0.253 3.834 100 2HG PRO 9 1HG PRO 9 -1.256 -0.534 5.340 101 1HD PRO 9 2HD PRO 9 0.307 -0.331 3.065 102 2HD PRO 9 1HD PRO 9 0.549 -1.512 4.371 103 H LYS 10 H LYS 10 -1.006 -1.475 0.646 104 HA LYS 10 HA LYS 10 -2.979 0.147 -0.434 105 1HB LYS 10 2HB LYS 10 -0.599 -0.513 -1.240 106 2HB LYS 10 1HB LYS 10 -1.410 -1.819 -2.107 107 1HG LYS 10 2HG LYS 10 -1.520 -0.207 -3.745 108 2HG LYS 10 1HG LYS 10 -2.994 0.209 -2.867 109 1HD LYS 10 2HD LYS 10 -2.142 2.182 -2.167 110 2HD LYS 10 1HD LYS 10 -0.606 1.446 -1.711 111 1HE LYS 10 2HE LYS 10 -0.109 2.982 -3.499 112 2HE LYS 10 1HE LYS 10 -0.075 1.364 -4.229 113 1HZ LYS 10 1HZ LYS 10 -1.473 2.680 -5.593 114 2HZ LYS 10 2HZ LYS 10 -2.307 3.320 -4.258 115 3HZ LYS 10 3HZ LYS 10 -2.505 1.687 -4.684 116 H PHE 11 H PHE 11 -2.977 -3.339 -0.190 117 HA PHE 11 HA PHE 11 -4.946 -3.968 -2.172 118 1HB PHE 11 2HB PHE 11 -4.005 -5.911 -1.427 119 2HB PHE 11 1HB PHE 11 -3.488 -5.157 0.077 120 HD1 PHE 11 HD1 PHE 11 -6.767 -6.064 -1.527 121 HD2 PHE 11 HD2 PHE 11 -4.316 -6.167 1.999 122 HE1 PHE 11 HE1 PHE 11 -8.567 -7.259 -0.312 123 HE2 PHE 11 HE2 PHE 11 -6.117 -7.365 3.214 124 HZ PHE 11 HZ PHE 11 -8.242 -7.910 2.059 125 H LEU 12 H LEU 12 -5.297 -3.867 1.355 126 HA LEU 12 HA LEU 12 -8.184 -3.680 1.283 127 1HB LEU 12 2HB LEU 12 -7.872 -3.323 3.730 128 2HB LEU 12 1HB LEU 12 -6.919 -4.680 3.133 129 HG LEU 12 HG LEU 12 -4.984 -3.003 2.886 130 1HD1 LEU 12 1HD1 LEU 12 -7.107 -1.306 3.958 131 2HD1 LEU 12 2HD1 LEU 12 -5.584 -0.853 3.192 132 3HD1 LEU 12 3HD1 LEU 12 -5.626 -1.232 4.913 133 1HD2 LEU 12 1HD2 LEU 12 -6.148 -4.158 5.356 134 2HD2 LEU 12 2HD2 LEU 12 -4.896 -2.939 5.596 135 3HD2 LEU 12 3HD2 LEU 12 -4.548 -4.388 4.653 136 H HIS 13 H HIS 13 -5.851 -1.393 0.536 137 HA HIS 13 HA HIS 13 -6.908 0.969 1.808 138 1HB HIS 13 2HB HIS 13 -4.779 0.200 0.128 139 2HB HIS 13 1HB HIS 13 -5.679 1.414 -0.783 140 HD1 HIS 13 HD1 HIS 13 -6.242 3.682 0.665 141 HD2 HIS 13 HD2 HIS 13 -3.126 1.291 2.060 142 HE1 HIS 13 HE1 HIS 13 -4.884 5.125 2.242 143 H SER 14 H SER 14 -7.652 -0.729 -1.210 144 HA SER 14 HA SER 14 -9.397 1.364 -2.243 145 1HB SER 14 2HB SER 14 -8.576 -1.424 -2.916 146 2HB SER 14 1HB SER 14 -10.073 -0.834 -3.630 147 HG SER 14 HG SER 14 -8.019 -0.422 -4.796 148 H ALA 15 H ALA 15 -9.699 -1.074 0.111 149 HA ALA 15 HA ALA 15 -12.569 -1.558 -0.172 150 1HB ALA 15 1HB ALA 15 -10.326 -2.624 1.198 151 2HB ALA 15 2HB ALA 15 -11.970 -3.262 1.190 152 3HB ALA 15 3HB ALA 15 -11.472 -2.123 2.441 153 H LYS 16 H LYS 16 -10.584 0.873 1.264 154 HA LYS 16 HA LYS 16 -12.364 1.725 3.379 155 1HB LYS 16 2HB LYS 16 -9.873 2.521 2.054 156 2HB LYS 16 1HB LYS 16 -10.839 3.905 2.564 157 1HG LYS 16 2HG LYS 16 -10.760 1.801 4.591 158 2HG LYS 16 1HG LYS 16 -9.154 2.415 4.196 159 1HD LYS 16 2HD LYS 16 -9.552 4.349 5.279 160 2HD LYS 16 1HD LYS 16 -11.055 4.593 4.390 161 1HE LYS 16 2HE LYS 16 -11.052 2.525 6.559 162 2HE LYS 16 1HE LYS 16 -11.095 4.236 7.032 163 1HZ LYS 16 1HZ LYS 16 -12.876 3.008 4.995 164 2HZ LYS 16 2HZ LYS 16 -12.944 4.605 5.569 165 3HZ LYS 16 3HZ LYS 16 -13.329 3.311 6.600 166 H LYS 17 H LYS 17 -12.451 2.045 -0.050 167 HA LYS 17 HA LYS 17 -14.019 4.535 -0.069 168 1HB LYS 17 2HB LYS 17 -12.525 2.866 -1.873 169 2HB LYS 17 1HB LYS 17 -14.143 3.111 -2.532 170 1HG LYS 17 2HG LYS 17 -13.574 5.631 -1.673 171 2HG LYS 17 1HG LYS 17 -11.961 5.068 -2.114 172 1HD LYS 17 2HD LYS 17 -13.565 4.164 -4.202 173 2HD LYS 17 1HD LYS 17 -14.210 5.766 -3.840 174 1HE LYS 17 2HE LYS 17 -12.055 6.800 -4.159 175 2HE LYS 17 1HE LYS 17 -11.249 5.221 -4.243 176 1HZ LYS 17 1HZ LYS 17 -13.501 5.779 -6.046 177 2HZ LYS 17 2HZ LYS 17 -12.174 4.743 -6.270 178 3HZ LYS 17 3HZ LYS 17 -11.979 6.423 -6.425 179 H PHE 18 H PHE 18 -14.776 1.477 0.877 180 HA PHE 18 HA PHE 18 -17.221 0.945 -0.567 181 1HB PHE 18 2HB PHE 18 -16.749 -0.992 0.507 182 2HB PHE 18 1HB PHE 18 -15.564 -0.174 1.518 183 HD1 PHE 18 HD1 PHE 18 -16.150 0.637 3.747 184 HD2 PHE 18 HD2 PHE 18 -19.065 -1.303 1.259 185 HE1 PHE 18 HE1 PHE 18 -17.651 0.385 5.704 186 HE2 PHE 18 HE2 PHE 18 -20.568 -1.553 3.215 187 HZ PHE 18 HZ PHE 18 -19.862 -0.710 5.437 188 1HN NH2 19 1HN NH2 19 -16.448 3.285 1.852 189 2HN NH2 19 2HN NH2 19 -18.037 3.680 2.306 Start of MODEL 7 1 1H LYS 1 1H LYS 1 16.510 2.604 -6.594 2 2H LYS 1 2H LYS 1 17.617 3.753 -6.008 3 3H LYS 1 3H LYS 1 15.999 4.191 -6.286 4 HA LYS 1 HA LYS 1 16.536 2.011 -4.390 5 1HB LYS 1 2HB LYS 1 18.166 3.942 -4.048 6 2HB LYS 1 1HB LYS 1 16.762 4.961 -3.727 7 1HG LYS 1 2HG LYS 1 16.918 4.281 -1.579 8 2HG LYS 1 1HG LYS 1 16.325 2.716 -2.136 9 1HD LYS 1 2HD LYS 1 18.287 1.819 -1.495 10 2HD LYS 1 1HD LYS 1 19.070 2.753 -2.770 11 1HE LYS 1 2HE LYS 1 19.122 4.710 -1.104 12 2HE LYS 1 1HE LYS 1 18.717 3.509 0.140 13 1HZ LYS 1 1HZ LYS 1 21.090 3.626 -0.046 14 2HZ LYS 1 2HZ LYS 1 21.024 3.427 -1.732 15 3HZ LYS 1 3HZ LYS 1 20.583 2.147 -0.705 16 H TRP 2 H TRP 2 14.259 2.406 -5.999 17 HA TRP 2 HA TRP 2 12.279 3.329 -3.954 18 1HB TRP 2 2HB TRP 2 11.094 4.553 -5.700 19 2HB TRP 2 1HB TRP 2 12.775 5.084 -5.678 20 HD1 TRP 2 HD1 TRP 2 10.713 2.347 -7.499 21 HE1 TRP 2 HE1 TRP 2 11.544 2.212 -9.934 22 HE3 TRP 2 HE3 TRP 2 14.419 5.860 -7.364 23 HZ2 TRP 2 HZ2 TRP 2 13.515 3.431 -11.605 24 HZ3 TRP 2 HZ3 TRP 2 15.756 6.354 -9.393 25 HH2 TRP 2 HH2 TRP 2 15.309 5.145 -11.510 26 H LYS 3 H LYS 3 13.348 0.797 -5.757 27 HA LYS 3 HA LYS 3 10.968 -0.258 -6.965 28 1HB LYS 3 2HB LYS 3 13.601 -1.355 -5.991 29 2HB LYS 3 1HB LYS 3 12.376 -2.427 -6.670 30 1HG LYS 3 2HG LYS 3 12.421 -1.323 -8.774 31 2HG LYS 3 1HG LYS 3 13.294 0.061 -8.116 32 1HD LYS 3 2HD LYS 3 14.466 -2.725 -8.133 33 2HD LYS 3 1HD LYS 3 14.693 -1.597 -9.470 34 1HE LYS 3 2HE LYS 3 16.497 -0.852 -8.285 35 2HE LYS 3 1HE LYS 3 15.303 -0.046 -7.248 36 1HZ LYS 3 1HZ LYS 3 16.875 -2.397 -6.724 37 2HZ LYS 3 2HZ LYS 3 15.220 -2.630 -6.419 38 3HZ LYS 3 3HZ LYS 3 16.063 -1.379 -5.639 39 H LEU 4 H LEU 4 11.729 0.199 -3.710 40 HA LEU 4 HA LEU 4 10.352 -2.183 -2.669 41 1HB LEU 4 2HB LEU 4 11.469 0.361 -1.457 42 2HB LEU 4 1HB LEU 4 10.766 -0.942 -0.499 43 HG LEU 4 HG LEU 4 12.929 -1.560 -2.492 44 1HD1 LEU 4 1HD1 LEU 4 13.583 0.372 -0.906 45 2HD1 LEU 4 2HD1 LEU 4 14.649 -1.033 -0.949 46 3HD1 LEU 4 3HD1 LEU 4 13.509 -0.832 0.381 47 1HD2 LEU 4 1HD2 LEU 4 13.353 -3.398 -0.929 48 2HD2 LEU 4 2HD2 LEU 4 11.642 -3.371 -1.356 49 3HD2 LEU 4 3HD2 LEU 4 12.172 -2.737 0.203 50 H PHE 5 H PHE 5 9.300 0.634 -4.090 51 HA PHE 5 HA PHE 5 7.079 1.281 -2.304 52 1HB PHE 5 2HB PHE 5 8.198 2.949 -3.710 53 2HB PHE 5 1HB PHE 5 7.776 2.033 -5.157 54 HD1 PHE 5 HD1 PHE 5 5.973 2.854 -6.362 55 HD2 PHE 5 HD2 PHE 5 6.009 3.310 -2.091 56 HE1 PHE 5 HE1 PHE 5 3.788 4.021 -6.469 57 HE2 PHE 5 HE2 PHE 5 3.823 4.475 -2.197 58 HZ PHE 5 HZ PHE 5 2.713 4.832 -4.387 59 H LYS 6 H LYS 6 7.650 -1.217 -4.468 60 HA LYS 6 HA LYS 6 4.757 -1.491 -5.183 61 1HB LYS 6 2HB LYS 6 5.538 -2.801 -7.023 62 2HB LYS 6 1HB LYS 6 6.660 -1.445 -6.909 63 1HG LYS 6 2HG LYS 6 8.305 -2.993 -6.835 64 2HG LYS 6 1HG LYS 6 7.760 -3.332 -5.192 65 1HD LYS 6 2HD LYS 6 7.445 -5.445 -5.980 66 2HD LYS 6 1HD LYS 6 5.956 -4.778 -6.650 67 1HE LYS 6 2HE LYS 6 7.608 -4.076 -8.642 68 2HE LYS 6 1HE LYS 6 8.502 -5.487 -8.044 69 1HZ LYS 6 1HZ LYS 6 6.979 -6.510 -9.392 70 2HZ LYS 6 2HZ LYS 6 5.778 -5.336 -9.130 71 3HZ LYS 6 3HZ LYS 6 6.109 -6.499 -7.937 72 H LYS 7 H LYS 7 6.777 -2.449 -2.777 73 HA LYS 7 HA LYS 7 5.853 -5.279 -2.691 74 1HB LYS 7 2HB LYS 7 7.627 -5.552 -1.107 75 2HB LYS 7 1HB LYS 7 8.263 -4.478 -2.352 76 1HG LYS 7 2HG LYS 7 8.805 -3.117 -0.620 77 2HG LYS 7 1HG LYS 7 7.092 -2.695 -0.622 78 1HD LYS 7 2HD LYS 7 6.853 -3.601 1.421 79 2HD LYS 7 1HD LYS 7 7.410 -5.158 0.805 80 1HE LYS 7 2HE LYS 7 9.780 -4.369 1.100 81 2HE LYS 7 1HE LYS 7 9.142 -2.909 1.884 82 1HZ LYS 7 1HZ LYS 7 8.813 -5.727 2.736 83 2HZ LYS 7 2HZ LYS 7 7.815 -4.483 3.321 84 3HZ LYS 7 3HZ LYS 7 9.487 -4.445 3.616 85 H ILE 8 H ILE 8 4.729 -2.308 -1.680 86 HA ILE 8 HA ILE 8 3.736 -3.213 0.966 87 HB ILE 8 HB ILE 8 3.326 -0.622 -0.562 88 1HG1 ILE 8 2HG1 ILE 8 5.744 -1.265 -0.146 89 2HG1 ILE 8 1HG1 ILE 8 5.243 0.245 0.616 90 1HG2 ILE 8 1HG2 ILE 8 1.785 -1.161 1.381 91 2HG2 ILE 8 2HG2 ILE 8 2.731 0.316 1.571 92 3HG2 ILE 8 3HG2 ILE 8 3.212 -1.154 2.417 93 1HD1 ILE 8 1HD1 ILE 8 6.498 -1.067 2.235 94 2HD1 ILE 8 2HD1 ILE 8 5.462 -2.467 1.955 95 3HD1 ILE 8 3HD1 ILE 8 4.806 -1.024 2.730 96 HA PRO 9 HA PRO 9 -0.010 -4.546 -1.069 97 1HB PRO 9 2HB PRO 9 -1.290 -5.390 1.190 98 2HB PRO 9 1HB PRO 9 0.000 -6.323 0.405 99 1HG PRO 9 2HG PRO 9 0.099 -4.638 2.842 100 2HG PRO 9 1HG PRO 9 0.971 -6.128 2.459 101 1HD PRO 9 2HD PRO 9 2.048 -3.589 2.329 102 2HD PRO 9 1HD PRO 9 2.684 -5.010 1.473 103 H LYS 10 H LYS 10 -0.886 -2.506 -1.696 104 HA LYS 10 HA LYS 10 -2.319 -0.907 0.368 105 1HB LYS 10 2HB LYS 10 -1.362 -0.536 -2.462 106 2HB LYS 10 1HB LYS 10 -2.616 0.528 -1.827 107 1HG LYS 10 2HG LYS 10 -1.191 1.567 -0.373 108 2HG LYS 10 1HG LYS 10 -0.271 0.095 -0.063 109 1HD LYS 10 2HD LYS 10 0.272 0.571 -2.722 110 2HD LYS 10 1HD LYS 10 0.194 2.203 -2.056 111 1HE LYS 10 2HE LYS 10 1.635 0.551 -0.203 112 2HE LYS 10 1HE LYS 10 2.340 0.345 -1.819 113 1HZ LYS 10 1HZ LYS 10 1.533 3.040 -1.045 114 2HZ LYS 10 2HZ LYS 10 2.849 2.533 -1.993 115 3HZ LYS 10 3HZ LYS 10 2.924 2.419 -0.299 116 H PHE 11 H PHE 11 -3.012 -3.604 -1.230 117 HA PHE 11 HA PHE 11 -5.419 -3.087 -2.700 118 1HB PHE 11 2HB PHE 11 -4.144 -5.122 -2.953 119 2HB PHE 11 1HB PHE 11 -4.278 -5.482 -1.232 120 HD1 PHE 11 HD1 PHE 11 -7.201 -4.033 -2.840 121 HD2 PHE 11 HD2 PHE 11 -5.222 -7.725 -1.893 122 HE1 PHE 11 HE1 PHE 11 -9.310 -5.269 -3.256 123 HE2 PHE 11 HE2 PHE 11 -7.331 -8.962 -2.307 124 HZ PHE 11 HZ PHE 11 -9.375 -7.734 -2.989 125 H LEU 12 H LEU 12 -4.830 -3.945 0.716 126 HA LEU 12 HA LEU 12 -7.601 -4.188 1.461 127 1HB LEU 12 2HB LEU 12 -5.215 -4.766 2.583 128 2HB LEU 12 1HB LEU 12 -5.553 -3.246 3.413 129 HG LEU 12 HG LEU 12 -7.984 -4.495 3.575 130 1HD1 LEU 12 1HD1 LEU 12 -6.595 -6.526 2.593 131 2HD1 LEU 12 2HD1 LEU 12 -7.781 -6.790 3.871 132 3HD1 LEU 12 3HD1 LEU 12 -6.065 -6.690 4.267 133 1HD2 LEU 12 1HD2 LEU 12 -6.537 -5.354 5.839 134 2HD2 LEU 12 2HD2 LEU 12 -7.475 -3.869 5.680 135 3HD2 LEU 12 3HD2 LEU 12 -5.751 -3.866 5.308 136 H HIS 13 H HIS 13 -5.610 -1.448 0.779 137 HA HIS 13 HA HIS 13 -7.071 0.457 2.447 138 1HB HIS 13 2HB HIS 13 -4.641 0.398 1.254 139 2HB HIS 13 1HB HIS 13 -5.539 1.321 0.046 140 HD1 HIS 13 HD1 HIS 13 -4.013 1.592 3.394 141 HD2 HIS 13 HD2 HIS 13 -6.771 3.754 1.138 142 HE1 HIS 13 HE1 HIS 13 -4.250 3.846 4.521 143 H SER 14 H SER 14 -7.455 -0.922 -0.740 144 HA SER 14 HA SER 14 -9.085 1.153 -1.902 145 1HB SER 14 2HB SER 14 -8.348 -1.683 -2.394 146 2HB SER 14 1HB SER 14 -9.839 -1.134 -3.156 147 HG SER 14 HG SER 14 -7.500 -0.782 -4.101 148 H ALA 15 H ALA 15 -9.662 -0.930 0.678 149 HA ALA 15 HA ALA 15 -12.490 -1.475 0.240 150 1HB ALA 15 1HB ALA 15 -11.330 -1.436 2.975 151 2HB ALA 15 2HB ALA 15 -10.501 -2.469 1.809 152 3HB ALA 15 3HB ALA 15 -12.213 -2.721 2.148 153 H LYS 16 H LYS 16 -10.720 1.285 1.166 154 HA LYS 16 HA LYS 16 -12.555 2.478 3.051 155 1HB LYS 16 2HB LYS 16 -10.063 2.954 2.453 156 2HB LYS 16 1HB LYS 16 -10.726 3.953 1.159 157 1HG LYS 16 2HG LYS 16 -12.117 5.136 2.909 158 2HG LYS 16 1HG LYS 16 -11.197 4.261 4.135 159 1HD LYS 16 2HD LYS 16 -10.103 6.374 3.863 160 2HD LYS 16 1HD LYS 16 -9.092 5.186 3.039 161 1HE LYS 16 2HE LYS 16 -9.636 5.982 0.928 162 2HE LYS 16 1HE LYS 16 -11.229 6.566 1.448 163 1HZ LYS 16 1HZ LYS 16 -8.594 7.804 1.807 164 2HZ LYS 16 2HZ LYS 16 -9.770 8.050 3.008 165 3HZ LYS 16 3HZ LYS 16 -10.075 8.525 1.405 166 H LYS 17 H LYS 17 -12.842 1.857 -0.271 167 HA LYS 17 HA LYS 17 -14.129 4.173 -1.299 168 1HB LYS 17 2HB LYS 17 -14.085 1.231 -1.837 169 2HB LYS 17 1HB LYS 17 -15.323 2.191 -2.647 170 1HG LYS 17 2HG LYS 17 -13.717 3.549 -3.742 171 2HG LYS 17 1HG LYS 17 -12.421 3.023 -2.667 172 1HD LYS 17 2HD LYS 17 -13.009 0.634 -3.632 173 2HD LYS 17 1HD LYS 17 -13.676 1.571 -4.970 174 1HE LYS 17 2HE LYS 17 -11.080 2.623 -4.208 175 2HE LYS 17 1HE LYS 17 -10.969 0.896 -4.601 176 1HZ LYS 17 1HZ LYS 17 -12.008 3.103 -6.264 177 2HZ LYS 17 2HZ LYS 17 -12.521 1.505 -6.532 178 3HZ LYS 17 3HZ LYS 17 -10.877 1.909 -6.673 179 H PHE 18 H PHE 18 -15.290 1.662 0.862 180 HA PHE 18 HA PHE 18 -18.043 2.842 0.749 181 1HB PHE 18 2HB PHE 18 -17.515 0.375 0.191 182 2HB PHE 18 1HB PHE 18 -17.212 0.180 1.917 183 HD1 PHE 18 HD1 PHE 18 -19.011 0.268 3.534 184 HD2 PHE 18 HD2 PHE 18 -19.766 0.977 -0.635 185 HE1 PHE 18 HE1 PHE 18 -21.450 0.070 3.941 186 HE2 PHE 18 HE2 PHE 18 -22.204 0.780 -0.228 187 HZ PHE 18 HZ PHE 18 -23.046 0.327 2.061 188 1HN NH2 19 1HN NH2 19 -15.923 4.120 2.327 189 2HN NH2 19 2HN NH2 19 -16.329 3.943 3.965 Start of MODEL 8 1 1H LYS 1 1H LYS 1 4.378 -10.956 -10.155 2 2H LYS 1 2H LYS 1 4.933 -9.911 -11.375 3 3H LYS 1 3H LYS 1 3.720 -9.399 -10.301 4 HA LYS 1 HA LYS 1 6.292 -10.231 -9.155 5 1HB LYS 1 2HB LYS 1 7.108 -7.894 -9.651 6 2HB LYS 1 1HB LYS 1 6.936 -8.906 -11.087 7 1HG LYS 1 2HG LYS 1 4.500 -7.897 -11.141 8 2HG LYS 1 1HG LYS 1 5.228 -6.617 -10.170 9 1HD LYS 1 2HD LYS 1 5.381 -6.004 -12.522 10 2HD LYS 1 1HD LYS 1 7.000 -6.363 -11.918 11 1HE LYS 1 2HE LYS 1 7.196 -7.848 -13.624 12 2HE LYS 1 1HE LYS 1 5.971 -8.839 -12.806 13 1HZ LYS 1 1HZ LYS 1 5.586 -6.773 -14.882 14 2HZ LYS 1 2HZ LYS 1 4.324 -7.180 -13.821 15 3HZ LYS 1 3HZ LYS 1 4.991 -8.361 -14.845 16 H TRP 2 H TRP 2 5.218 -10.392 -7.138 17 HA TRP 2 HA TRP 2 4.613 -7.864 -5.805 18 1HB TRP 2 2HB TRP 2 2.240 -8.400 -5.391 19 2HB TRP 2 1HB TRP 2 2.562 -8.284 -7.120 20 HD1 TRP 2 HD1 TRP 2 4.050 -11.427 -6.171 21 HE1 TRP 2 HE1 TRP 2 2.464 -13.408 -6.587 22 HE3 TRP 2 HE3 TRP 2 -0.358 -8.918 -6.784 23 HZ2 TRP 2 HZ2 TRP 2 -0.307 -13.877 -7.112 24 HZ3 TRP 2 HZ3 TRP 2 -2.454 -10.159 -7.242 25 HH2 TRP 2 HH2 TRP 2 -2.434 -12.633 -7.405 26 H LYS 3 H LYS 3 6.525 -9.408 -4.894 27 HA LYS 3 HA LYS 3 5.727 -11.632 -3.227 28 1HB LYS 3 2HB LYS 3 8.154 -9.850 -3.475 29 2HB LYS 3 1HB LYS 3 8.088 -11.157 -2.294 30 1HG LYS 3 2HG LYS 3 7.243 -12.470 -4.522 31 2HG LYS 3 1HG LYS 3 8.336 -11.288 -5.244 32 1HD LYS 3 2HD LYS 3 9.376 -12.594 -2.807 33 2HD LYS 3 1HD LYS 3 9.149 -13.675 -4.183 34 1HE LYS 3 2HE LYS 3 10.657 -12.465 -5.541 35 2HE LYS 3 1HE LYS 3 10.556 -11.019 -4.518 36 1HZ LYS 3 1HZ LYS 3 12.109 -13.438 -4.141 37 2HZ LYS 3 2HZ LYS 3 11.312 -12.878 -2.747 38 3HZ LYS 3 3HZ LYS 3 12.400 -11.866 -3.574 39 H LEU 4 H LEU 4 5.241 -8.320 -2.885 40 HA LEU 4 HA LEU 4 5.548 -8.203 0.042 41 1HB LEU 4 2HB LEU 4 4.594 -6.344 -2.142 42 2HB LEU 4 1HB LEU 4 4.519 -5.891 -0.439 43 HG LEU 4 HG LEU 4 7.110 -7.016 -1.291 44 1HD1 LEU 4 1HD1 LEU 4 6.053 -4.404 -2.405 45 2HD1 LEU 4 2HD1 LEU 4 6.680 -5.782 -3.313 46 3HD1 LEU 4 3HD1 LEU 4 7.770 -4.802 -2.331 47 1HD2 LEU 4 1HD2 LEU 4 7.060 -6.104 0.874 48 2HD2 LEU 4 2HD2 LEU 4 6.061 -4.738 0.379 49 3HD2 LEU 4 3HD2 LEU 4 7.766 -4.795 -0.073 50 H PHE 5 H PHE 5 3.238 -9.496 -1.986 51 HA PHE 5 HA PHE 5 0.786 -8.581 -0.762 52 1HB PHE 5 2HB PHE 5 1.363 -9.824 -3.015 53 2HB PHE 5 1HB PHE 5 1.158 -11.274 -2.033 54 HD1 PHE 5 HD1 PHE 5 -0.570 -7.963 -2.463 55 HD2 PHE 5 HD2 PHE 5 -0.968 -12.223 -2.077 56 HE1 PHE 5 HE1 PHE 5 -3.032 -7.752 -2.670 57 HE2 PHE 5 HE2 PHE 5 -3.431 -12.012 -2.284 58 HZ PHE 5 HZ PHE 5 -4.463 -9.776 -2.581 59 H LYS 6 H LYS 6 3.261 -10.486 0.463 60 HA LYS 6 HA LYS 6 1.543 -12.293 2.048 61 1HB LYS 6 2HB LYS 6 4.505 -11.829 1.690 62 2HB LYS 6 1HB LYS 6 3.886 -12.940 2.914 63 1HG LYS 6 2HG LYS 6 2.495 -13.501 0.499 64 2HG LYS 6 1HG LYS 6 4.209 -13.395 0.098 65 1HD LYS 6 2HD LYS 6 3.000 -15.104 2.292 66 2HD LYS 6 1HD LYS 6 3.640 -15.691 0.757 67 1HE LYS 6 2HE LYS 6 5.279 -14.177 2.822 68 2HE LYS 6 1HE LYS 6 5.303 -15.938 2.604 69 1HZ LYS 6 1HZ LYS 6 7.017 -15.136 1.238 70 2HZ LYS 6 2HZ LYS 6 6.078 -13.844 0.658 71 3HZ LYS 6 3HZ LYS 6 5.729 -15.436 0.176 72 H LYS 7 H LYS 7 2.988 -9.160 2.417 73 HA LYS 7 HA LYS 7 2.155 -9.173 5.283 74 1HB LYS 7 2HB LYS 7 4.285 -8.411 6.006 75 2HB LYS 7 1HB LYS 7 4.645 -9.703 4.862 76 1HG LYS 7 2HG LYS 7 4.846 -7.926 3.067 77 2HG LYS 7 1HG LYS 7 4.739 -6.720 4.351 78 1HD LYS 7 2HD LYS 7 6.878 -7.064 4.988 79 2HD LYS 7 1HD LYS 7 6.685 -8.817 4.955 80 1HE LYS 7 2HE LYS 7 7.072 -8.883 2.560 81 2HE LYS 7 1HE LYS 7 7.069 -7.110 2.470 82 1HZ LYS 7 1HZ LYS 7 9.277 -8.595 2.881 83 2HZ LYS 7 2HZ LYS 7 8.834 -8.214 4.476 84 3HZ LYS 7 3HZ LYS 7 9.113 -6.974 3.351 85 H ILE 8 H ILE 8 1.762 -7.751 2.364 86 HA ILE 8 HA ILE 8 1.293 -5.057 3.601 87 HB ILE 8 HB ILE 8 2.435 -5.788 0.886 88 1HG1 ILE 8 2HG1 ILE 8 3.958 -5.865 2.899 89 2HG1 ILE 8 1HG1 ILE 8 4.437 -4.682 1.683 90 1HG2 ILE 8 1HG2 ILE 8 1.431 -3.186 2.033 91 2HG2 ILE 8 2HG2 ILE 8 1.098 -3.894 0.453 92 3HG2 ILE 8 3HG2 ILE 8 2.685 -3.204 0.793 93 1HD1 ILE 8 1HD1 ILE 8 2.912 -4.124 4.242 94 2HD1 ILE 8 2HD1 ILE 8 3.220 -2.924 2.987 95 3HD1 ILE 8 3HD1 ILE 8 4.566 -3.637 3.876 96 HA PRO 9 HA PRO 9 -2.633 -6.384 1.745 97 1HB PRO 9 2HB PRO 9 -4.212 -5.133 3.592 98 2HB PRO 9 1HB PRO 9 -3.498 -6.735 3.860 99 1HG PRO 9 2HG PRO 9 -2.693 -4.101 4.943 100 2HG PRO 9 1HG PRO 9 -2.573 -5.709 5.670 101 1HD PRO 9 2HD PRO 9 -0.478 -4.305 4.502 102 2HD PRO 9 1HD PRO 9 -0.497 -6.049 4.831 103 H LYS 10 H LYS 10 -1.097 -4.200 0.688 104 HA LYS 10 HA LYS 10 -2.185 -1.622 0.807 105 1HB LYS 10 2HB LYS 10 -0.199 -2.099 -0.449 106 2HB LYS 10 1HB LYS 10 -1.039 -3.280 -1.454 107 1HG LYS 10 2HG LYS 10 -2.096 -1.658 -2.725 108 2HG LYS 10 1HG LYS 10 -2.062 -0.468 -1.423 109 1HD LYS 10 2HD LYS 10 0.172 0.105 -1.827 110 2HD LYS 10 1HD LYS 10 0.512 -1.414 -2.657 111 1HE LYS 10 2HE LYS 10 0.135 -0.345 -4.620 112 2HE LYS 10 1HE LYS 10 -1.561 -0.153 -4.131 113 1HZ LYS 10 1HZ LYS 10 -0.490 1.710 -2.632 114 2HZ LYS 10 2HZ LYS 10 -0.962 2.027 -4.233 115 3HZ LYS 10 3HZ LYS 10 0.669 1.726 -3.871 116 H PHE 11 H PHE 11 -3.482 -4.506 -0.733 117 HA PHE 11 HA PHE 11 -5.425 -3.292 -2.444 118 1HB PHE 11 2HB PHE 11 -4.532 -5.754 -2.098 119 2HB PHE 11 1HB PHE 11 -5.881 -5.873 -0.969 120 HD1 PHE 11 HD1 PHE 11 -8.225 -5.381 -1.780 121 HD2 PHE 11 HD2 PHE 11 -4.887 -5.782 -4.455 122 HE1 PHE 11 HE1 PHE 11 -9.784 -5.718 -3.678 123 HE2 PHE 11 HE2 PHE 11 -6.447 -6.119 -6.353 124 HZ PHE 11 HZ PHE 11 -8.896 -6.087 -5.964 125 H LEU 12 H LEU 12 -5.385 -3.927 1.020 126 HA LEU 12 HA LEU 12 -8.187 -3.690 1.553 127 1HB LEU 12 2HB LEU 12 -5.686 -3.923 2.937 128 2HB LEU 12 1HB LEU 12 -6.615 -2.626 3.690 129 HG LEU 12 HG LEU 12 -8.565 -4.144 3.876 130 1HD1 LEU 12 1HD1 LEU 12 -6.637 -6.051 2.549 131 2HD1 LEU 12 2HD1 LEU 12 -8.290 -5.660 2.077 132 3HD1 LEU 12 3HD1 LEU 12 -7.992 -6.635 3.515 133 1HD2 LEU 12 1HD2 LEU 12 -7.100 -4.030 5.794 134 2HD2 LEU 12 2HD2 LEU 12 -5.945 -5.130 5.042 135 3HD2 LEU 12 3HD2 LEU 12 -7.523 -5.726 5.557 136 H HIS 13 H HIS 13 -5.583 -1.240 1.430 137 HA HIS 13 HA HIS 13 -6.978 1.024 2.330 138 1HB HIS 13 2HB HIS 13 -4.566 0.395 1.046 139 2HB HIS 13 1HB HIS 13 -5.349 1.556 -0.028 140 HD1 HIS 13 HD1 HIS 13 -6.431 3.715 1.437 141 HD2 HIS 13 HD2 HIS 13 -3.181 1.667 3.057 142 HE1 HIS 13 HE1 HIS 13 -5.403 5.255 3.164 143 H SER 14 H SER 14 -7.186 -0.630 -0.792 144 HA SER 14 HA SER 14 -8.735 1.415 -2.126 145 1HB SER 14 2HB SER 14 -7.505 -0.218 -3.397 146 2HB SER 14 1HB SER 14 -8.274 -1.549 -2.536 147 HG SER 14 HG SER 14 -9.817 -1.449 -3.945 148 H ALA 15 H ALA 15 -9.449 -1.121 0.101 149 HA ALA 15 HA ALA 15 -12.285 -1.375 -0.458 150 1HB ALA 15 1HB ALA 15 -10.324 -2.655 1.052 151 2HB ALA 15 2HB ALA 15 -12.042 -3.052 1.055 152 3HB ALA 15 3HB ALA 15 -11.388 -1.953 2.270 153 H LYS 16 H LYS 16 -10.457 1.131 0.861 154 HA LYS 16 HA LYS 16 -11.957 2.085 3.058 155 1HB LYS 16 2HB LYS 16 -10.284 3.277 0.865 156 2HB LYS 16 1HB LYS 16 -11.123 4.354 1.983 157 1HG LYS 16 2HG LYS 16 -9.334 2.082 2.882 158 2HG LYS 16 1HG LYS 16 -8.776 3.745 2.692 159 1HD LYS 16 2HD LYS 16 -10.891 4.274 4.204 160 2HD LYS 16 1HD LYS 16 -10.666 2.599 4.710 161 1HE LYS 16 2HE LYS 16 -8.699 3.059 5.806 162 2HE LYS 16 1HE LYS 16 -8.208 4.282 4.617 163 1HZ LYS 16 1HZ LYS 16 -8.826 5.455 6.564 164 2HZ LYS 16 2HZ LYS 16 -10.252 4.549 6.752 165 3HZ LYS 16 3HZ LYS 16 -10.107 5.654 5.470 166 H LYS 17 H LYS 17 -12.700 2.073 -0.365 167 HA LYS 17 HA LYS 17 -14.611 4.127 -0.586 168 1HB LYS 17 2HB LYS 17 -13.620 2.071 -2.115 169 2HB LYS 17 1HB LYS 17 -15.286 1.550 -1.862 170 1HG LYS 17 2HG LYS 17 -14.889 4.412 -2.565 171 2HG LYS 17 1HG LYS 17 -14.581 3.236 -3.845 172 1HD LYS 17 2HD LYS 17 -16.821 2.221 -3.384 173 2HD LYS 17 1HD LYS 17 -17.128 3.516 -2.226 174 1HE LYS 17 2HE LYS 17 -16.376 4.081 -5.108 175 2HE LYS 17 1HE LYS 17 -18.061 3.917 -4.576 176 1HZ LYS 17 1HZ LYS 17 -16.659 5.519 -2.731 177 2HZ LYS 17 2HZ LYS 17 -17.978 5.948 -3.712 178 3HZ LYS 17 3HZ LYS 17 -16.392 6.140 -4.286 179 H PHE 18 H PHE 18 -14.823 1.033 1.048 180 HA PHE 18 HA PHE 18 -17.607 0.637 1.241 181 1HB PHE 18 2HB PHE 18 -15.908 -0.939 2.022 182 2HB PHE 18 1HB PHE 18 -15.370 0.207 3.249 183 HD1 PHE 18 HD1 PHE 18 -16.790 0.732 5.197 184 HD2 PHE 18 HD2 PHE 18 -17.954 -2.208 2.291 185 HE1 PHE 18 HE1 PHE 18 -18.492 -0.149 6.770 186 HE2 PHE 18 HE2 PHE 18 -19.657 -3.089 3.863 187 HZ PHE 18 HZ PHE 18 -19.926 -2.060 6.104 188 1HN NH2 19 1HN NH2 19 -15.513 2.774 3.241 189 2HN NH2 19 2HN NH2 19 -16.792 3.604 3.988 Start of MODEL 9 1 1H LYS 1 1H LYS 1 -7.438 -3.387 18.751 2 2H LYS 1 2H LYS 1 -6.028 -2.449 18.889 3 3H LYS 1 3H LYS 1 -5.920 -4.143 18.810 4 HA LYS 1 HA LYS 1 -6.612 -4.176 16.540 5 1HB LYS 1 2HB LYS 1 -7.852 -1.780 17.459 6 2HB LYS 1 1HB LYS 1 -6.837 -1.348 16.083 7 1HG LYS 1 2HG LYS 1 -7.875 -3.244 14.802 8 2HG LYS 1 1HG LYS 1 -8.985 -3.484 16.153 9 1HD LYS 1 2HD LYS 1 -10.182 -2.089 14.659 10 2HD LYS 1 1HD LYS 1 -9.561 -0.984 15.886 11 1HE LYS 1 2HE LYS 1 -8.065 0.004 14.433 12 2HE LYS 1 1HE LYS 1 -7.815 -1.493 13.513 13 1HZ LYS 1 1HZ LYS 1 -9.200 0.242 12.366 14 2HZ LYS 1 2HZ LYS 1 -10.393 -0.027 13.545 15 3HZ LYS 1 3HZ LYS 1 -9.924 -1.285 12.503 16 H TRP 2 H TRP 2 -4.725 -4.430 15.415 17 HA TRP 2 HA TRP 2 -2.409 -2.679 16.045 18 1HB TRP 2 2HB TRP 2 -2.899 -5.415 15.331 19 2HB TRP 2 1HB TRP 2 -1.835 -4.704 14.117 20 HD1 TRP 2 HD1 TRP 2 0.216 -3.106 15.349 21 HE1 TRP 2 HE1 TRP 2 1.742 -3.843 17.292 22 HE3 TRP 2 HE3 TRP 2 -2.595 -6.904 17.283 23 HZ2 TRP 2 HZ2 TRP 2 1.765 -5.788 19.390 24 HZ3 TRP 2 HZ3 TRP 2 -1.799 -8.180 19.253 25 HH2 TRP 2 HH2 TRP 2 0.375 -7.627 20.307 26 H LYS 3 H LYS 3 -1.776 -1.075 14.642 27 HA LYS 3 HA LYS 3 -3.304 -0.518 12.234 28 1HB LYS 3 2HB LYS 3 -1.700 1.368 12.083 29 2HB LYS 3 1HB LYS 3 -2.335 1.201 13.720 30 1HG LYS 3 2HG LYS 3 -0.147 1.233 14.339 31 2HG LYS 3 1HG LYS 3 -0.154 -0.453 13.818 32 1HD LYS 3 2HD LYS 3 1.667 0.467 12.641 33 2HD LYS 3 1HD LYS 3 0.360 0.503 11.457 34 1HE LYS 3 2HE LYS 3 1.360 2.680 11.361 35 2HE LYS 3 1HE LYS 3 -0.114 2.896 12.326 36 1HZ LYS 3 1HZ LYS 3 1.047 3.073 14.247 37 2HZ LYS 3 2HZ LYS 3 2.264 3.640 13.207 38 3HZ LYS 3 3HZ LYS 3 2.283 2.027 13.741 39 H LEU 4 H LEU 4 -0.877 -2.732 12.828 40 HA LEU 4 HA LEU 4 0.589 -2.414 10.294 41 1HB LEU 4 2HB LEU 4 0.584 -4.588 12.414 42 2HB LEU 4 1HB LEU 4 1.791 -4.395 11.144 43 HG LEU 4 HG LEU 4 1.222 -2.063 12.933 44 1HD1 LEU 4 1HD1 LEU 4 2.036 -3.024 14.801 45 2HD1 LEU 4 2HD1 LEU 4 3.422 -3.672 13.923 46 3HD1 LEU 4 3HD1 LEU 4 1.912 -4.581 13.983 47 1HD2 LEU 4 1HD2 LEU 4 3.833 -2.020 12.592 48 2HD2 LEU 4 2HD2 LEU 4 2.776 -1.532 11.267 49 3HD2 LEU 4 3HD2 LEU 4 3.488 -3.146 11.279 50 H PHE 5 H PHE 5 -2.452 -3.441 10.908 51 HA PHE 5 HA PHE 5 -2.562 -6.004 9.567 52 1HB PHE 5 2HB PHE 5 -4.200 -4.464 11.128 53 2HB PHE 5 1HB PHE 5 -4.923 -4.223 9.537 54 HD1 PHE 5 HD1 PHE 5 -4.746 -6.642 8.111 55 HD2 PHE 5 HD2 PHE 5 -5.279 -6.130 12.342 56 HE1 PHE 5 HE1 PHE 5 -5.801 -8.883 8.250 57 HE2 PHE 5 HE2 PHE 5 -6.333 -8.370 12.481 58 HZ PHE 5 HZ PHE 5 -6.594 -9.747 10.434 59 H LYS 6 H LYS 6 -2.099 -2.841 8.443 60 HA LYS 6 HA LYS 6 -3.270 -3.398 5.759 61 1HB LYS 6 2HB LYS 6 -2.918 -0.987 5.446 62 2HB LYS 6 1HB LYS 6 -3.734 -1.272 6.984 63 1HG LYS 6 2HG LYS 6 -1.764 -0.886 8.236 64 2HG LYS 6 1HG LYS 6 -0.727 -1.082 6.822 65 1HD LYS 6 2HD LYS 6 -2.781 1.118 6.902 66 2HD LYS 6 1HD LYS 6 -1.215 1.332 7.686 67 1HE LYS 6 2HE LYS 6 -0.522 0.273 5.214 68 2HE LYS 6 1HE LYS 6 -1.865 1.366 4.829 69 1HZ LYS 6 1HZ LYS 6 0.349 2.481 4.963 70 2HZ LYS 6 2HZ LYS 6 0.390 2.097 6.617 71 3HZ LYS 6 3HZ LYS 6 -0.819 3.126 6.011 72 H LYS 7 H LYS 7 -0.700 -4.623 6.885 73 HA LYS 7 HA LYS 7 1.414 -3.392 5.230 74 1HB LYS 7 2HB LYS 7 1.949 -4.183 7.455 75 2HB LYS 7 1HB LYS 7 1.255 -5.767 7.108 76 1HG LYS 7 2HG LYS 7 3.570 -6.114 6.833 77 2HG LYS 7 1HG LYS 7 2.993 -5.871 5.184 78 1HD LYS 7 2HD LYS 7 3.762 -3.608 5.146 79 2HD LYS 7 1HD LYS 7 4.044 -3.603 6.888 80 1HE LYS 7 2HE LYS 7 5.660 -5.642 6.275 81 2HE LYS 7 1HE LYS 7 5.703 -4.809 4.708 82 1HZ LYS 7 1HZ LYS 7 6.041 -3.398 7.294 83 2HZ LYS 7 2HZ LYS 7 6.345 -2.799 5.734 84 3HZ LYS 7 3HZ LYS 7 7.354 -3.991 6.399 85 H ILE 8 H ILE 8 0.290 -6.782 5.569 86 HA ILE 8 HA ILE 8 1.310 -7.592 3.010 87 HB ILE 8 HB ILE 8 -0.525 -8.664 5.128 88 1HG1 ILE 8 2HG1 ILE 8 1.438 -10.512 4.305 89 2HG1 ILE 8 1HG1 ILE 8 2.226 -8.934 4.273 90 1HG2 ILE 8 1HG2 ILE 8 -0.799 -10.755 3.791 91 2HG2 ILE 8 2HG2 ILE 8 -0.094 -9.927 2.403 92 3HG2 ILE 8 3HG2 ILE 8 -1.633 -9.379 3.069 93 1HD1 ILE 8 1HD1 ILE 8 2.527 -9.398 6.503 94 2HD1 ILE 8 2HD1 ILE 8 1.114 -10.451 6.582 95 3HD1 ILE 8 3HD1 ILE 8 0.911 -8.699 6.610 96 HA PRO 9 HA PRO 9 -3.220 -7.265 1.461 97 1HB PRO 9 2HB PRO 9 -5.029 -5.996 3.074 98 2HB PRO 9 1HB PRO 9 -4.728 -7.744 3.145 99 1HG PRO 9 2HG PRO 9 -3.700 -5.574 4.911 100 2HG PRO 9 1HG PRO 9 -4.266 -7.198 5.332 101 1HD PRO 9 2HD PRO 9 -1.637 -6.550 5.174 102 2HD PRO 9 1HD PRO 9 -2.259 -8.177 4.818 103 H LYS 10 H LYS 10 -1.282 -5.504 0.889 104 HA LYS 10 HA LYS 10 -1.658 -2.746 1.417 105 1HB LYS 10 2HB LYS 10 0.323 -3.193 0.326 106 2HB LYS 10 1HB LYS 10 -0.383 -4.490 -0.632 107 1HG LYS 10 2HG LYS 10 0.234 -2.621 -2.089 108 2HG LYS 10 1HG LYS 10 -1.521 -2.792 -2.050 109 1HD LYS 10 2HD LYS 10 -1.405 -1.067 -0.096 110 2HD LYS 10 1HD LYS 10 0.198 -0.701 -0.737 111 1HE LYS 10 2HE LYS 10 -1.465 -0.791 -3.001 112 2HE LYS 10 1HE LYS 10 -2.394 0.098 -1.777 113 1HZ LYS 10 1HZ LYS 10 0.372 0.637 -2.700 114 2HZ LYS 10 2HZ LYS 10 -0.273 1.318 -1.283 115 3HZ LYS 10 3HZ LYS 10 -0.970 1.670 -2.792 116 H PHE 11 H PHE 11 -3.389 -4.939 -0.702 117 HA PHE 11 HA PHE 11 -4.689 -2.973 -2.364 118 1HB PHE 11 2HB PHE 11 -4.362 -5.572 -2.539 119 2HB PHE 11 1HB PHE 11 -5.853 -5.642 -1.599 120 HD1 PHE 11 HD1 PHE 11 -7.754 -5.960 -2.899 121 HD2 PHE 11 HD2 PHE 11 -4.559 -3.529 -4.428 122 HE1 PHE 11 HE1 PHE 11 -9.074 -5.517 -4.951 123 HE2 PHE 11 HE2 PHE 11 -5.880 -3.086 -6.480 124 HZ PHE 11 HZ PHE 11 -8.137 -4.079 -6.741 125 H LEU 12 H LEU 12 -5.614 -4.590 0.679 126 HA LEU 12 HA LEU 12 -8.250 -3.891 1.035 127 1HB LEU 12 2HB LEU 12 -5.924 -4.428 2.655 128 2HB LEU 12 1HB LEU 12 -6.920 -3.205 3.442 129 HG LEU 12 HG LEU 12 -8.879 -4.635 3.303 130 1HD1 LEU 12 1HD1 LEU 12 -8.324 -7.085 2.483 131 2HD1 LEU 12 2HD1 LEU 12 -7.053 -6.270 1.571 132 3HD1 LEU 12 3HD1 LEU 12 -8.743 -5.834 1.312 133 1HD2 LEU 12 1HD2 LEU 12 -7.381 -4.992 5.222 134 2HD2 LEU 12 2HD2 LEU 12 -6.442 -6.156 4.287 135 3HD2 LEU 12 3HD2 LEU 12 -8.110 -6.519 4.727 136 H HIS 13 H HIS 13 -5.488 -1.682 1.082 137 HA HIS 13 HA HIS 13 -6.516 0.604 2.293 138 1HB HIS 13 2HB HIS 13 -4.277 0.510 1.417 139 2HB HIS 13 1HB HIS 13 -4.867 0.221 -0.220 140 HD1 HIS 13 HD1 HIS 13 -5.196 2.249 -1.649 141 HD2 HIS 13 HD2 HIS 13 -5.075 3.220 2.404 142 HE1 HIS 13 HE1 HIS 13 -5.266 4.776 -1.516 143 H SER 14 H SER 14 -7.319 -0.699 -0.904 144 HA SER 14 HA SER 14 -8.899 1.603 -1.732 145 1HB SER 14 2HB SER 14 -7.699 -0.261 -3.097 146 2HB SER 14 1HB SER 14 -9.135 -1.224 -2.764 147 HG SER 14 HG SER 14 -9.054 0.172 -4.749 148 H ALA 15 H ALA 15 -9.433 -0.666 0.640 149 HA ALA 15 HA ALA 15 -12.204 -1.367 0.191 150 1HB ALA 15 1HB ALA 15 -10.810 -2.679 1.653 151 2HB ALA 15 2HB ALA 15 -12.019 -1.905 2.677 152 3HB ALA 15 3HB ALA 15 -10.379 -1.261 2.608 153 H LYS 16 H LYS 16 -10.605 1.489 1.317 154 HA LYS 16 HA LYS 16 -12.397 2.681 3.094 155 1HB LYS 16 2HB LYS 16 -10.158 3.446 1.954 156 2HB LYS 16 1HB LYS 16 -11.229 4.200 0.772 157 1HG LYS 16 2HG LYS 16 -12.374 4.928 3.182 158 2HG LYS 16 1HG LYS 16 -10.647 4.997 3.534 159 1HD LYS 16 2HD LYS 16 -10.325 6.795 2.189 160 2HD LYS 16 1HD LYS 16 -11.369 6.145 0.924 161 1HE LYS 16 2HE LYS 16 -13.365 6.784 2.325 162 2HE LYS 16 1HE LYS 16 -12.250 7.600 3.439 163 1HZ LYS 16 1HZ LYS 16 -12.557 9.310 2.010 164 2HZ LYS 16 2HZ LYS 16 -12.987 8.305 0.709 165 3HZ LYS 16 3HZ LYS 16 -11.352 8.513 1.122 166 H LYS 17 H LYS 17 -12.765 2.197 -0.388 167 HA LYS 17 HA LYS 17 -14.876 3.967 -0.986 168 1HB LYS 17 2HB LYS 17 -13.470 2.026 -2.264 169 2HB LYS 17 1HB LYS 17 -15.017 1.201 -2.065 170 1HG LYS 17 2HG LYS 17 -16.042 3.435 -2.949 171 2HG LYS 17 1HG LYS 17 -14.416 3.742 -3.559 172 1HD LYS 17 2HD LYS 17 -15.185 2.581 -5.375 173 2HD LYS 17 1HD LYS 17 -14.743 1.186 -4.391 174 1HE LYS 17 2HE LYS 17 -16.907 0.520 -4.429 175 2HE LYS 17 1HE LYS 17 -17.357 2.009 -3.574 176 1HZ LYS 17 1HZ LYS 17 -16.707 2.197 -6.423 177 2HZ LYS 17 2HZ LYS 17 -17.811 3.104 -5.504 178 3HZ LYS 17 3HZ LYS 17 -18.210 1.532 -6.006 179 H PHE 18 H PHE 18 -14.904 1.047 0.946 180 HA PHE 18 HA PHE 18 -17.801 0.666 0.844 181 1HB PHE 18 2HB PHE 18 -16.102 -1.124 1.218 182 2HB PHE 18 1HB PHE 18 -15.686 -0.372 2.758 183 HD1 PHE 18 HD1 PHE 18 -19.021 -0.843 1.126 184 HD2 PHE 18 HD2 PHE 18 -16.459 -1.837 4.428 185 HE1 PHE 18 HE1 PHE 18 -20.895 -2.045 2.219 186 HE2 PHE 18 HE2 PHE 18 -18.334 -3.039 5.521 187 HZ PHE 18 HZ PHE 18 -20.552 -3.143 4.416 188 1HN NH2 19 1HN NH2 19 -15.500 2.193 3.141 189 2HN NH2 19 2HN NH2 19 -16.690 2.919 4.109 Start of MODEL 10 1 1H LYS 1 1H LYS 1 7.959 2.742 8.254 2 2H LYS 1 2H LYS 1 6.836 3.194 9.446 3 3H LYS 1 3H LYS 1 7.276 1.563 9.263 4 HA LYS 1 HA LYS 1 9.623 3.067 9.680 5 1HB LYS 1 2HB LYS 1 8.166 4.750 10.642 6 2HB LYS 1 1HB LYS 1 7.287 3.528 11.560 7 1HG LYS 1 2HG LYS 1 8.963 3.293 13.123 8 2HG LYS 1 1HG LYS 1 10.240 3.674 11.966 9 1HD LYS 1 2HD LYS 1 9.408 6.057 11.959 10 2HD LYS 1 1HD LYS 1 8.332 5.622 13.289 11 1HE LYS 1 2HE LYS 1 10.622 4.666 14.318 12 2HE LYS 1 1HE LYS 1 11.300 5.941 13.288 13 1HZ LYS 1 1HZ LYS 1 8.896 6.554 14.844 14 2HZ LYS 1 2HZ LYS 1 10.176 7.572 14.385 15 3HZ LYS 1 3HZ LYS 1 10.372 6.485 15.676 16 H TRP 2 H TRP 2 7.073 1.091 11.227 17 HA TRP 2 HA TRP 2 8.988 -1.097 11.663 18 1HB TRP 2 2HB TRP 2 8.920 0.897 13.530 19 2HB TRP 2 1HB TRP 2 7.700 -0.202 14.172 20 HD1 TRP 2 HD1 TRP 2 8.790 -2.972 13.604 21 HE1 TRP 2 HE1 TRP 2 10.991 -3.824 14.640 22 HE3 TRP 2 HE3 TRP 2 11.022 1.482 14.721 23 HZ2 TRP 2 HZ2 TRP 2 13.381 -2.760 15.790 24 HZ3 TRP 2 HZ3 TRP 2 13.261 1.534 15.785 25 HH2 TRP 2 HH2 TRP 2 14.440 -0.579 16.320 26 H LYS 3 H LYS 3 6.010 -0.093 13.372 27 HA LYS 3 HA LYS 3 4.810 -2.717 13.085 28 1HB LYS 3 2HB LYS 3 4.420 -0.252 14.496 29 2HB LYS 3 1HB LYS 3 2.898 -0.697 13.725 30 1HG LYS 3 2HG LYS 3 4.560 -2.397 15.603 31 2HG LYS 3 1HG LYS 3 2.946 -1.750 15.897 32 1HD LYS 3 2HD LYS 3 2.011 -3.540 14.908 33 2HD LYS 3 1HD LYS 3 2.933 -3.239 13.434 34 1HE LYS 3 2HE LYS 3 4.192 -5.067 13.878 35 2HE LYS 3 1HE LYS 3 4.740 -4.302 15.382 36 1HZ LYS 3 1HZ LYS 3 2.888 -5.132 16.549 37 2HZ LYS 3 2HZ LYS 3 3.473 -6.449 15.651 38 3HZ LYS 3 3HZ LYS 3 2.092 -5.608 15.130 39 H LEU 4 H LEU 4 5.081 -0.067 10.999 40 HA LEU 4 HA LEU 4 2.520 -0.481 9.601 41 1HB LEU 4 2HB LEU 4 4.949 1.147 8.798 42 2HB LEU 4 1HB LEU 4 3.283 1.384 8.270 43 HG LEU 4 HG LEU 4 4.367 1.764 11.076 44 1HD1 LEU 4 1HD1 LEU 4 3.847 3.514 8.786 45 2HD1 LEU 4 2HD1 LEU 4 4.759 3.838 10.260 46 3HD1 LEU 4 3HD1 LEU 4 3.006 4.039 10.245 47 1HD2 LEU 4 1HD2 LEU 4 1.771 2.728 11.005 48 2HD2 LEU 4 2HD2 LEU 4 2.266 1.192 11.714 49 3HD2 LEU 4 3HD2 LEU 4 1.662 1.243 10.059 50 H PHE 5 H PHE 5 5.052 -2.446 9.768 51 HA PHE 5 HA PHE 5 5.924 -2.797 7.052 52 1HB PHE 5 2HB PHE 5 7.010 -3.617 9.181 53 2HB PHE 5 1HB PHE 5 5.745 -4.842 9.283 54 HD1 PHE 5 HD1 PHE 5 8.830 -3.826 7.633 55 HD2 PHE 5 HD2 PHE 5 5.518 -6.559 7.469 56 HE1 PHE 5 HE1 PHE 5 10.095 -5.264 6.056 57 HE2 PHE 5 HE2 PHE 5 6.785 -7.996 5.892 58 HZ PHE 5 HZ PHE 5 9.071 -7.349 5.187 59 H LYS 6 H LYS 6 2.916 -3.344 8.467 60 HA LYS 6 HA LYS 6 2.216 -5.566 6.596 61 1HB LYS 6 2HB LYS 6 1.153 -4.420 9.153 62 2HB LYS 6 1HB LYS 6 0.021 -5.244 8.079 63 1HG LYS 6 2HG LYS 6 1.048 -7.299 8.342 64 2HG LYS 6 1HG LYS 6 2.629 -6.585 8.662 65 1HD LYS 6 2HD LYS 6 1.509 -7.643 10.678 66 2HD LYS 6 1HD LYS 6 1.989 -5.959 10.892 67 1HE LYS 6 2HE LYS 6 -0.170 -5.272 11.132 68 2HE LYS 6 1HE LYS 6 -0.724 -6.276 9.777 69 1HZ LYS 6 1HZ LYS 6 0.217 -7.663 12.164 70 2HZ LYS 6 2HZ LYS 6 -1.046 -8.069 11.102 71 3HZ LYS 6 3HZ LYS 6 -1.280 -6.877 12.290 72 H LYS 7 H LYS 7 2.640 -2.653 5.865 73 HA LYS 7 HA LYS 7 -0.118 -1.954 4.928 74 1HB LYS 7 2HB LYS 7 0.812 -0.200 6.215 75 2HB LYS 7 1HB LYS 7 2.420 -0.433 5.526 76 1HG LYS 7 2HG LYS 7 1.905 0.708 3.583 77 2HG LYS 7 1HG LYS 7 0.191 0.294 3.669 78 1HD LYS 7 2HD LYS 7 0.319 2.623 4.188 79 2HD LYS 7 1HD LYS 7 0.071 1.800 5.729 80 1HE LYS 7 2HE LYS 7 2.668 1.784 5.903 81 2HE LYS 7 1HE LYS 7 2.603 3.041 4.651 82 1HZ LYS 7 1HZ LYS 7 0.818 4.091 6.097 83 2HZ LYS 7 2HZ LYS 7 2.417 4.207 6.658 84 3HZ LYS 7 3HZ LYS 7 1.357 3.065 7.336 85 H ILE 8 H ILE 8 2.641 -3.468 3.857 86 HA ILE 8 HA ILE 8 3.365 -2.381 1.396 87 HB ILE 8 HB ILE 8 3.068 -5.155 2.514 88 1HG1 ILE 8 2HG1 ILE 8 5.609 -4.056 1.431 89 2HG1 ILE 8 1HG1 ILE 8 4.950 -3.249 2.854 90 1HG2 ILE 8 1HG2 ILE 8 4.489 -5.770 0.373 91 2HG2 ILE 8 2HG2 ILE 8 3.635 -4.399 -0.336 92 3HG2 ILE 8 3HG2 ILE 8 2.727 -5.774 0.294 93 1HD1 ILE 8 1HD1 ILE 8 5.325 -6.247 2.660 94 2HD1 ILE 8 2HD1 ILE 8 4.909 -5.315 4.099 95 3HD1 ILE 8 3HD1 ILE 8 6.514 -5.161 3.381 96 HA PRO 9 HA PRO 9 -0.238 -4.705 -0.789 97 1HB PRO 9 2HB PRO 9 -2.207 -5.753 0.794 98 2HB PRO 9 1HB PRO 9 -0.765 -6.667 0.304 99 1HG PRO 9 2HG PRO 9 -1.324 -5.248 2.870 100 2HG PRO 9 1HG PRO 9 -0.575 -6.831 2.598 101 1HD PRO 9 2HD PRO 9 0.879 -4.627 3.157 102 2HD PRO 9 1HD PRO 9 1.479 -5.925 2.097 103 H LYS 10 H LYS 10 -0.814 -2.538 -1.335 104 HA LYS 10 HA LYS 10 -2.522 -0.909 0.378 105 1HB LYS 10 2HB LYS 10 -1.362 -0.841 -2.385 106 2HB LYS 10 1HB LYS 10 -2.703 0.248 -2.023 107 1HG LYS 10 2HG LYS 10 -1.469 1.503 -0.554 108 2HG LYS 10 1HG LYS 10 -0.525 0.118 -0.004 109 1HD LYS 10 2HD LYS 10 0.370 0.226 -2.527 110 2HD LYS 10 1HD LYS 10 -0.058 1.926 -2.328 111 1HE LYS 10 2HE LYS 10 2.110 1.974 -1.485 112 2HE LYS 10 1HE LYS 10 1.235 1.569 0.005 113 1HZ LYS 10 1HZ LYS 10 3.136 0.037 -0.646 114 2HZ LYS 10 2HZ LYS 10 2.130 -0.511 -1.901 115 3HZ LYS 10 3HZ LYS 10 1.653 -0.701 -0.282 116 H PHE 11 H PHE 11 -3.088 -3.667 -1.432 117 HA PHE 11 HA PHE 11 -5.487 -3.195 -2.837 118 1HB PHE 11 2HB PHE 11 -4.012 -5.238 -2.824 119 2HB PHE 11 1HB PHE 11 -4.668 -5.646 -1.242 120 HD1 PHE 11 HD1 PHE 11 -6.903 -3.989 -3.603 121 HD2 PHE 11 HD2 PHE 11 -5.482 -7.807 -2.233 122 HE1 PHE 11 HE1 PHE 11 -8.832 -5.093 -4.687 123 HE2 PHE 11 HE2 PHE 11 -7.419 -8.912 -3.321 124 HZ PHE 11 HZ PHE 11 -9.094 -7.555 -4.547 125 H LEU 12 H LEU 12 -4.926 -3.842 0.607 126 HA LEU 12 HA LEU 12 -7.717 -4.126 1.334 127 1HB LEU 12 2HB LEU 12 -5.173 -3.429 2.827 128 2HB LEU 12 1HB LEU 12 -6.717 -3.668 3.640 129 HG LEU 12 HG LEU 12 -5.718 -5.783 3.778 130 1HD1 LEU 12 1HD1 LEU 12 -7.114 -6.118 1.128 131 2HD1 LEU 12 2HD1 LEU 12 -8.020 -5.707 2.584 132 3HD1 LEU 12 3HD1 LEU 12 -7.101 -7.211 2.513 133 1HD2 LEU 12 1HD2 LEU 12 -4.327 -6.770 2.134 134 2HD2 LEU 12 2HD2 LEU 12 -3.887 -5.063 2.118 135 3HD2 LEU 12 3HD2 LEU 12 -4.942 -5.714 0.862 136 H HIS 13 H HIS 13 -5.442 -1.394 1.309 137 HA HIS 13 HA HIS 13 -6.984 0.572 2.598 138 1HB HIS 13 2HB HIS 13 -4.802 0.392 0.632 139 2HB HIS 13 1HB HIS 13 -5.727 1.888 0.515 140 HD1 HIS 13 HD1 HIS 13 -4.127 3.487 1.662 141 HD2 HIS 13 HD2 HIS 13 -4.883 0.083 3.945 142 HE1 HIS 13 HE1 HIS 13 -3.068 3.893 3.928 143 H SER 14 H SER 14 -7.358 -0.801 -0.627 144 HA SER 14 HA SER 14 -9.027 1.206 -1.779 145 1HB SER 14 2HB SER 14 -9.513 -0.514 -3.389 146 2HB SER 14 1HB SER 14 -7.860 -0.794 -2.851 147 HG SER 14 HG SER 14 -10.232 -2.108 -2.018 148 H ALA 15 H ALA 15 -9.603 -1.068 0.712 149 HA ALA 15 HA ALA 15 -12.407 -1.530 0.470 150 1HB ALA 15 1HB ALA 15 -10.623 -2.583 1.997 151 2HB ALA 15 2HB ALA 15 -12.198 -2.279 2.732 152 3HB ALA 15 3HB ALA 15 -10.853 -1.182 3.043 153 H LYS 16 H LYS 16 -10.635 1.320 1.296 154 HA LYS 16 HA LYS 16 -12.474 2.675 2.994 155 1HB LYS 16 2HB LYS 16 -10.035 3.161 2.212 156 2HB LYS 16 1HB LYS 16 -10.803 3.973 0.846 157 1HG LYS 16 2HG LYS 16 -10.473 5.667 2.483 158 2HG LYS 16 1HG LYS 16 -12.184 5.251 2.577 159 1HD LYS 16 2HD LYS 16 -11.360 5.334 4.836 160 2HD LYS 16 1HD LYS 16 -11.590 3.634 4.431 161 1HE LYS 16 2HE LYS 16 -9.430 3.322 5.063 162 2HE LYS 16 1HE LYS 16 -8.968 4.208 3.596 163 1HZ LYS 16 1HZ LYS 16 -9.885 5.736 5.922 164 2HZ LYS 16 2HZ LYS 16 -8.766 6.168 4.720 165 3HZ LYS 16 3HZ LYS 16 -8.312 5.103 5.962 166 H LYS 17 H LYS 17 -12.635 1.891 -0.381 167 HA LYS 17 HA LYS 17 -14.182 3.947 -1.494 168 1HB LYS 17 2HB LYS 17 -13.252 1.524 -2.259 169 2HB LYS 17 1HB LYS 17 -14.961 1.132 -2.065 170 1HG LYS 17 2HG LYS 17 -15.619 2.822 -3.632 171 2HG LYS 17 1HG LYS 17 -14.000 3.521 -3.654 172 1HD LYS 17 2HD LYS 17 -14.800 0.789 -4.695 173 2HD LYS 17 1HD LYS 17 -14.302 2.177 -5.662 174 1HE LYS 17 2HE LYS 17 -12.098 2.112 -4.319 175 2HE LYS 17 1HE LYS 17 -12.609 0.491 -3.806 176 1HZ LYS 17 1HZ LYS 17 -11.755 1.405 -6.414 177 2HZ LYS 17 2HZ LYS 17 -13.171 0.465 -6.440 178 3HZ LYS 17 3HZ LYS 17 -11.746 -0.161 -5.759 179 H PHE 18 H PHE 18 -15.182 1.359 0.706 180 HA PHE 18 HA PHE 18 -17.985 1.494 0.468 181 1HB PHE 18 2HB PHE 18 -16.477 -0.036 1.860 182 2HB PHE 18 1HB PHE 18 -16.438 1.256 3.060 183 HD1 PHE 18 HD1 PHE 18 -18.521 -1.296 1.425 184 HD2 PHE 18 HD2 PHE 18 -18.462 1.913 4.280 185 HE1 PHE 18 HE1 PHE 18 -20.721 -2.035 2.302 186 HE2 PHE 18 HE2 PHE 18 -20.661 1.173 5.156 187 HZ PHE 18 HZ PHE 18 -21.790 -0.800 4.167 188 1HN NH2 19 1HN NH2 19 -15.922 3.456 2.707 189 2HN NH2 19 2HN NH2 19 -17.062 4.697 2.914 Start of MODEL 11 1 1H LYS 1 1H LYS 1 3.640 -2.303 15.681 2 2H LYS 1 2H LYS 1 4.325 -2.801 17.153 3 3H LYS 1 3H LYS 1 2.962 -1.787 17.147 4 HA LYS 1 HA LYS 1 2.717 -4.378 15.796 5 1HB LYS 1 2HB LYS 1 4.009 -4.691 17.942 6 2HB LYS 1 1HB LYS 1 2.638 -3.992 18.805 7 1HG LYS 1 2HG LYS 1 2.188 -6.286 18.941 8 2HG LYS 1 1HG LYS 1 1.244 -5.803 17.531 9 1HD LYS 1 2HD LYS 1 2.349 -7.480 16.469 10 2HD LYS 1 1HD LYS 1 3.693 -6.338 16.407 11 1HE LYS 1 2HE LYS 1 3.934 -7.398 18.956 12 2HE LYS 1 1HE LYS 1 3.431 -8.798 17.986 13 1HZ LYS 1 1HZ LYS 1 5.900 -8.239 17.994 14 2HZ LYS 1 2HZ LYS 1 5.490 -6.900 17.032 15 3HZ LYS 1 3HZ LYS 1 5.171 -8.474 16.481 16 H TRP 2 H TRP 2 1.033 -2.917 14.806 17 HA TRP 2 HA TRP 2 -1.289 -2.457 16.645 18 1HB TRP 2 2HB TRP 2 0.133 -0.729 15.008 19 2HB TRP 2 1HB TRP 2 -1.264 -1.136 14.018 20 HD1 TRP 2 HD1 TRP 2 -1.748 -1.127 17.775 21 HE1 TRP 2 HE1 TRP 2 -3.208 0.887 18.437 22 HE3 TRP 2 HE3 TRP 2 -1.863 1.388 13.328 23 HZ2 TRP 2 HZ2 TRP 2 -4.280 3.254 17.247 24 HZ3 TRP 2 HZ3 TRP 2 -3.108 3.521 13.124 25 HH2 TRP 2 HH2 TRP 2 -4.316 4.456 15.077 26 H LYS 3 H LYS 3 -3.179 -2.080 14.544 27 HA LYS 3 HA LYS 3 -3.927 -4.812 13.979 28 1HB LYS 3 2HB LYS 3 -4.970 -2.123 13.783 29 2HB LYS 3 1HB LYS 3 -5.328 -3.012 12.303 30 1HG LYS 3 2HG LYS 3 -7.141 -3.406 13.854 31 2HG LYS 3 1HG LYS 3 -6.201 -4.893 13.736 32 1HD LYS 3 2HD LYS 3 -5.972 -4.836 15.977 33 2HD LYS 3 1HD LYS 3 -4.966 -3.401 15.775 34 1HE LYS 3 2HE LYS 3 -6.834 -1.929 16.068 35 2HE LYS 3 1HE LYS 3 -7.994 -3.261 15.904 36 1HZ LYS 3 1HZ LYS 3 -7.288 -4.217 17.907 37 2HZ LYS 3 2HZ LYS 3 -7.404 -2.558 18.257 38 3HZ LYS 3 3HZ LYS 3 -5.886 -3.267 17.980 39 H LEU 4 H LEU 4 -1.604 -2.872 12.552 40 HA LEU 4 HA LEU 4 -1.919 -3.207 9.774 41 1HB LEU 4 2HB LEU 4 0.365 -2.598 9.699 42 2HB LEU 4 1HB LEU 4 -0.182 -1.931 11.237 43 HG LEU 4 HG LEU 4 0.539 -4.494 11.946 44 1HD1 LEU 4 1HD1 LEU 4 2.788 -4.835 10.946 45 2HD1 LEU 4 2HD1 LEU 4 2.498 -3.470 9.868 46 3HD1 LEU 4 3HD1 LEU 4 1.509 -4.925 9.734 47 1HD2 LEU 4 1HD2 LEU 4 1.078 -2.227 12.998 48 2HD2 LEU 4 2HD2 LEU 4 2.459 -2.152 11.904 49 3HD2 LEU 4 3HD2 LEU 4 2.353 -3.441 13.103 50 H PHE 5 H PHE 5 -1.263 -5.552 12.199 51 HA PHE 5 HA PHE 5 -0.012 -7.502 10.416 52 1HB PHE 5 2HB PHE 5 -0.153 -7.067 13.129 53 2HB PHE 5 1HB PHE 5 -1.252 -8.432 12.917 54 HD1 PHE 5 HD1 PHE 5 2.190 -7.384 13.058 55 HD2 PHE 5 HD2 PHE 5 -0.427 -10.453 11.581 56 HE1 PHE 5 HE1 PHE 5 4.128 -8.908 12.793 57 HE2 PHE 5 HE2 PHE 5 1.511 -11.978 11.316 58 HZ PHE 5 HZ PHE 5 3.789 -11.205 11.921 59 H LYS 6 H LYS 6 -3.208 -6.610 11.329 60 HA LYS 6 HA LYS 6 -4.409 -9.115 10.303 61 1HB LYS 6 2HB LYS 6 -5.152 -7.914 12.393 62 2HB LYS 6 1HB LYS 6 -5.662 -6.567 11.375 63 1HG LYS 6 2HG LYS 6 -7.648 -7.660 11.308 64 2HG LYS 6 1HG LYS 6 -6.849 -8.669 10.102 65 1HD LYS 6 2HD LYS 6 -6.063 -9.672 12.632 66 2HD LYS 6 1HD LYS 6 -7.806 -9.415 12.715 67 1HE LYS 6 2HE LYS 6 -6.567 -10.795 10.328 68 2HE LYS 6 1HE LYS 6 -7.001 -11.701 11.792 69 1HZ LYS 6 1HZ LYS 6 -9.217 -11.094 11.618 70 2HZ LYS 6 2HZ LYS 6 -8.793 -11.370 9.996 71 3HZ LYS 6 3HZ LYS 6 -8.894 -9.783 10.592 72 H LYS 7 H LYS 7 -3.159 -6.376 8.965 73 HA LYS 7 HA LYS 7 -5.001 -6.515 6.616 74 1HB LYS 7 2HB LYS 7 -4.899 -4.025 6.562 75 2HB LYS 7 1HB LYS 7 -5.647 -4.630 8.041 76 1HG LYS 7 2HG LYS 7 -3.482 -4.404 9.220 77 2HG LYS 7 1HG LYS 7 -2.758 -3.758 7.746 78 1HD LYS 7 2HD LYS 7 -3.362 -1.865 9.087 79 2HD LYS 7 1HD LYS 7 -4.553 -1.959 7.789 80 1HE LYS 7 2HE LYS 7 -5.249 -3.519 10.211 81 2HE LYS 7 1HE LYS 7 -5.233 -1.757 10.428 82 1HZ LYS 7 1HZ LYS 7 -6.898 -3.393 8.670 83 2HZ LYS 7 2HZ LYS 7 -6.388 -1.889 8.067 84 3HZ LYS 7 3HZ LYS 7 -7.284 -1.970 9.507 85 H ILE 8 H ILE 8 -2.359 -7.649 7.061 86 HA ILE 8 HA ILE 8 -0.120 -6.277 6.205 87 HB ILE 8 HB ILE 8 -1.133 -9.031 5.458 88 1HG1 ILE 8 2HG1 ILE 8 1.014 -8.346 7.453 89 2HG1 ILE 8 1HG1 ILE 8 -0.686 -8.231 7.910 90 1HG2 ILE 8 1HG2 ILE 8 1.305 -7.566 4.692 91 2HG2 ILE 8 2HG2 ILE 8 0.595 -9.015 3.980 92 3HG2 ILE 8 3HG2 ILE 8 1.613 -9.145 5.414 93 1HD1 ILE 8 1HD1 ILE 8 0.659 -10.696 6.766 94 2HD1 ILE 8 2HD1 ILE 8 -1.034 -10.576 7.242 95 3HD1 ILE 8 3HD1 ILE 8 0.236 -10.457 8.461 96 HA PRO 9 HA PRO 9 -1.399 -6.815 1.595 97 1HB PRO 9 2HB PRO 9 -4.061 -7.229 1.094 98 2HB PRO 9 1HB PRO 9 -2.888 -8.549 1.272 99 1HG PRO 9 2HG PRO 9 -4.833 -7.467 3.254 100 2HG PRO 9 1HG PRO 9 -4.377 -9.146 2.920 101 1HD PRO 9 2HD PRO 9 -3.416 -7.773 5.034 102 2HD PRO 9 1HD PRO 9 -2.475 -9.028 4.202 103 H LYS 10 H LYS 10 -0.962 -4.518 2.130 104 HA LYS 10 HA LYS 10 -2.784 -2.547 2.908 105 1HB LYS 10 2HB LYS 10 -0.233 -2.584 2.135 106 2HB LYS 10 1HB LYS 10 -0.928 -2.041 0.606 107 1HG LYS 10 2HG LYS 10 -1.480 0.004 1.438 108 2HG LYS 10 1HG LYS 10 -1.971 -0.656 2.999 109 1HD LYS 10 2HD LYS 10 0.879 -0.201 2.065 110 2HD LYS 10 1HD LYS 10 0.021 0.737 3.288 111 1HE LYS 10 2HE LYS 10 0.707 -0.742 4.859 112 2HE LYS 10 1HE LYS 10 -0.184 -2.025 4.015 113 1HZ LYS 10 1HZ LYS 10 2.331 -1.109 2.837 114 2HZ LYS 10 2HZ LYS 10 1.637 -2.661 2.837 115 3HZ LYS 10 3HZ LYS 10 2.435 -2.084 4.222 116 H PHE 11 H PHE 11 -2.715 -4.391 -0.045 117 HA PHE 11 HA PHE 11 -4.022 -2.803 -1.923 118 1HB PHE 11 2HB PHE 11 -3.234 -5.141 -2.221 119 2HB PHE 11 1HB PHE 11 -4.550 -5.706 -1.190 120 HD1 PHE 11 HD1 PHE 11 -5.977 -6.909 -2.639 121 HD2 PHE 11 HD2 PHE 11 -4.570 -3.015 -3.779 122 HE1 PHE 11 HE1 PHE 11 -7.501 -6.931 -4.596 123 HE2 PHE 11 HE2 PHE 11 -6.092 -3.037 -5.737 124 HZ PHE 11 HZ PHE 11 -7.557 -4.995 -6.145 125 H LEU 12 H LEU 12 -5.309 -4.344 0.967 126 HA LEU 12 HA LEU 12 -8.092 -4.105 0.520 127 1HB LEU 12 2HB LEU 12 -6.261 -4.632 2.642 128 2HB LEU 12 1HB LEU 12 -7.404 -3.423 3.231 129 HG LEU 12 HG LEU 12 -9.169 -5.032 2.056 130 1HD1 LEU 12 1HD1 LEU 12 -6.936 -6.466 1.509 131 2HD1 LEU 12 2HD1 LEU 12 -8.523 -7.203 1.726 132 3HD1 LEU 12 3HD1 LEU 12 -7.375 -7.173 3.064 133 1HD2 LEU 12 1HD2 LEU 12 -9.312 -6.263 4.284 134 2HD2 LEU 12 2HD2 LEU 12 -9.306 -4.503 4.393 135 3HD2 LEU 12 3HD2 LEU 12 -7.838 -5.414 4.749 136 H HIS 13 H HIS 13 -5.687 -1.658 0.970 137 HA HIS 13 HA HIS 13 -6.973 0.505 2.134 138 1HB HIS 13 2HB HIS 13 -4.730 0.710 1.370 139 2HB HIS 13 1HB HIS 13 -5.161 0.226 -0.270 140 HD1 HIS 13 HD1 HIS 13 -6.551 2.947 2.028 141 HD2 HIS 13 HD2 HIS 13 -5.004 2.501 -1.817 142 HE1 HIS 13 HE1 HIS 13 -6.696 5.224 0.929 143 H SER 14 H SER 14 -7.477 -0.793 -1.142 144 HA SER 14 HA SER 14 -9.140 1.261 -2.179 145 1HB SER 14 2HB SER 14 -8.414 -0.377 -3.695 146 2HB SER 14 1HB SER 14 -8.801 -1.697 -2.593 147 HG SER 14 HG SER 14 -10.307 -1.476 -4.334 148 H ALA 15 H ALA 15 -9.683 -0.979 0.337 149 HA ALA 15 HA ALA 15 -12.553 -1.228 0.181 150 1HB ALA 15 1HB ALA 15 -12.271 -2.318 2.271 151 2HB ALA 15 2HB ALA 15 -10.851 -1.352 2.674 152 3HB ALA 15 3HB ALA 15 -10.745 -2.602 1.434 153 H LYS 16 H LYS 16 -10.574 1.428 0.875 154 HA LYS 16 HA LYS 16 -11.852 2.745 3.032 155 1HB LYS 16 2HB LYS 16 -10.638 3.821 0.462 156 2HB LYS 16 1HB LYS 16 -10.952 4.788 1.904 157 1HG LYS 16 2HG LYS 16 -9.469 2.356 2.532 158 2HG LYS 16 1HG LYS 16 -8.617 3.365 1.363 159 1HD LYS 16 2HD LYS 16 -7.891 4.282 3.379 160 2HD LYS 16 1HD LYS 16 -9.263 5.320 2.992 161 1HE LYS 16 2HE LYS 16 -9.764 4.759 5.205 162 2HE LYS 16 1HE LYS 16 -10.604 3.448 4.351 163 1HZ LYS 16 1HZ LYS 16 -8.107 3.379 5.852 164 2HZ LYS 16 2HZ LYS 16 -8.155 2.457 4.426 165 3HZ LYS 16 3HZ LYS 16 -9.285 2.176 5.662 166 H LYS 17 H LYS 17 -12.877 2.280 -0.297 167 HA LYS 17 HA LYS 17 -15.005 4.293 -0.179 168 1HB LYS 17 2HB LYS 17 -15.466 3.482 -2.422 169 2HB LYS 17 1HB LYS 17 -13.714 3.563 -2.226 170 1HG LYS 17 2HG LYS 17 -13.611 1.388 -2.794 171 2HG LYS 17 1HG LYS 17 -14.468 1.008 -1.300 172 1HD LYS 17 2HD LYS 17 -15.976 0.107 -2.783 173 2HD LYS 17 1HD LYS 17 -16.567 1.769 -2.798 174 1HE LYS 17 2HE LYS 17 -14.914 2.165 -4.742 175 2HE LYS 17 1HE LYS 17 -14.810 0.395 -4.843 176 1HZ LYS 17 1HZ LYS 17 -17.240 0.311 -4.930 177 2HZ LYS 17 2HZ LYS 17 -16.607 1.199 -6.233 178 3HZ LYS 17 3HZ LYS 17 -17.308 2.006 -4.912 179 H PHE 18 H PHE 18 -14.629 1.211 1.119 180 HA PHE 18 HA PHE 18 -17.256 0.090 0.662 181 1HB PHE 18 2HB PHE 18 -15.232 -1.181 1.316 182 2HB PHE 18 1HB PHE 18 -15.211 -0.340 2.866 183 HD1 PHE 18 HD1 PHE 18 -17.938 -1.894 0.806 184 HD2 PHE 18 HD2 PHE 18 -15.894 -1.751 4.581 185 HE1 PHE 18 HE1 PHE 18 -19.539 -3.546 1.735 186 HE2 PHE 18 HE2 PHE 18 -17.494 -3.404 5.511 187 HZ PHE 18 HZ PHE 18 -19.315 -4.301 4.087 188 1HN NH2 19 1HN NH2 19 -15.856 1.677 3.604 189 2HN NH2 19 2HN NH2 19 -17.350 2.193 4.223 Start of MODEL 12 1 1H LYS 1 1H LYS 1 3.700 -4.563 -17.023 2 2H LYS 1 2H LYS 1 4.073 -2.932 -17.312 3 3H LYS 1 3H LYS 1 4.022 -3.527 -15.721 4 HA LYS 1 HA LYS 1 6.076 -3.973 -17.798 5 1HB LYS 1 2HB LYS 1 5.677 -2.595 -15.257 6 2HB LYS 1 1HB LYS 1 7.098 -3.639 -15.212 7 1HG LYS 1 2HG LYS 1 7.287 -2.447 -17.704 8 2HG LYS 1 1HG LYS 1 6.669 -1.145 -16.687 9 1HD LYS 1 2HD LYS 1 8.690 -0.876 -15.738 10 2HD LYS 1 1HD LYS 1 8.719 -2.573 -15.258 11 1HE LYS 1 2HE LYS 1 9.330 -2.993 -17.790 12 2HE LYS 1 1HE LYS 1 9.845 -1.295 -17.736 13 1HZ LYS 1 1HZ LYS 1 10.788 -3.558 -16.084 14 2HZ LYS 1 2HZ LYS 1 10.954 -1.955 -15.546 15 3HZ LYS 1 3HZ LYS 1 11.707 -2.452 -16.986 16 H TRP 2 H TRP 2 5.809 -5.009 -14.404 17 HA TRP 2 HA TRP 2 6.505 -7.783 -15.296 18 1HB TRP 2 2HB TRP 2 7.617 -5.966 -13.430 19 2HB TRP 2 1HB TRP 2 6.872 -7.250 -12.478 20 HD1 TRP 2 HD1 TRP 2 7.341 -9.707 -14.326 21 HE1 TRP 2 HE1 TRP 2 9.720 -10.621 -14.714 22 HE3 TRP 2 HE3 TRP 2 10.085 -5.575 -13.106 23 HZ2 TRP 2 HZ2 TRP 2 12.429 -9.720 -14.533 24 HZ3 TRP 2 HZ3 TRP 2 12.561 -5.631 -13.224 25 HH2 TRP 2 HH2 TRP 2 13.735 -7.694 -13.934 26 H LYS 3 H LYS 3 5.222 -9.500 -14.581 27 HA LYS 3 HA LYS 3 2.540 -8.884 -13.637 28 1HB LYS 3 2HB LYS 3 2.242 -11.291 -13.906 29 2HB LYS 3 1HB LYS 3 3.199 -10.688 -15.260 30 1HG LYS 3 2HG LYS 3 5.198 -11.243 -13.541 31 2HG LYS 3 1HG LYS 3 4.017 -12.433 -12.993 32 1HD LYS 3 2HD LYS 3 4.067 -13.604 -14.977 33 2HD LYS 3 1HD LYS 3 4.440 -12.171 -15.936 34 1HE LYS 3 2HE LYS 3 6.740 -12.248 -15.377 35 2HE LYS 3 1HE LYS 3 6.453 -13.315 -13.988 36 1HZ LYS 3 1HZ LYS 3 5.894 -14.036 -16.816 37 2HZ LYS 3 2HZ LYS 3 5.726 -15.049 -15.462 38 3HZ LYS 3 3HZ LYS 3 7.268 -14.531 -15.953 39 H LEU 4 H LEU 4 5.516 -9.383 -12.097 40 HA LEU 4 HA LEU 4 4.449 -10.640 -9.655 41 1HB LEU 4 2HB LEU 4 7.127 -9.329 -10.228 42 2HB LEU 4 1HB LEU 4 6.775 -10.482 -8.941 43 HG LEU 4 HG LEU 4 6.134 -11.345 -11.717 44 1HD1 LEU 4 1HD1 LEU 4 8.390 -11.843 -12.304 45 2HD1 LEU 4 2HD1 LEU 4 8.975 -11.441 -10.689 46 3HD1 LEU 4 3HD1 LEU 4 8.410 -10.163 -11.766 47 1HD2 LEU 4 1HD2 LEU 4 7.594 -12.769 -9.480 48 2HD2 LEU 4 2HD2 LEU 4 6.738 -13.491 -10.842 49 3HD2 LEU 4 3HD2 LEU 4 5.835 -12.686 -9.559 50 H PHE 5 H PHE 5 4.190 -7.593 -10.910 51 HA PHE 5 HA PHE 5 4.896 -5.893 -8.702 52 1HB PHE 5 2HB PHE 5 4.162 -5.609 -11.304 53 2HB PHE 5 1HB PHE 5 2.655 -5.169 -10.504 54 HD1 PHE 5 HD1 PHE 5 4.576 -4.258 -7.970 55 HD2 PHE 5 HD2 PHE 5 4.132 -3.192 -12.110 56 HE1 PHE 5 HE1 PHE 5 5.506 -2.012 -7.495 57 HE2 PHE 5 HE2 PHE 5 5.059 -0.945 -11.629 58 HZ PHE 5 HZ PHE 5 5.747 -0.355 -9.322 59 H LYS 6 H LYS 6 2.415 -8.159 -9.054 60 HA LYS 6 HA LYS 6 0.268 -6.834 -7.648 61 1HB LYS 6 2HB LYS 6 0.105 -8.779 -9.214 62 2HB LYS 6 1HB LYS 6 0.901 -9.780 -7.999 63 1HG LYS 6 2HG LYS 6 -1.186 -10.205 -7.238 64 2HG LYS 6 1HG LYS 6 -1.113 -8.582 -6.551 65 1HD LYS 6 2HD LYS 6 -1.945 -8.928 -9.413 66 2HD LYS 6 1HD LYS 6 -3.115 -9.239 -8.131 67 1HE LYS 6 2HE LYS 6 -3.339 -7.023 -7.650 68 2HE LYS 6 1HE LYS 6 -1.590 -6.743 -7.745 69 1HZ LYS 6 1HZ LYS 6 -2.249 -7.363 -10.297 70 2HZ LYS 6 2HZ LYS 6 -2.044 -5.787 -9.702 71 3HZ LYS 6 3HZ LYS 6 -3.598 -6.467 -9.794 72 H LYS 7 H LYS 7 3.264 -7.816 -6.534 73 HA LYS 7 HA LYS 7 2.757 -9.165 -4.094 74 1HB LYS 7 2HB LYS 7 4.883 -7.886 -5.488 75 2HB LYS 7 1HB LYS 7 4.899 -7.266 -3.837 76 1HG LYS 7 2HG LYS 7 5.843 -9.184 -3.148 77 2HG LYS 7 1HG LYS 7 4.401 -10.056 -3.668 78 1HD LYS 7 2HD LYS 7 5.371 -10.083 -6.006 79 2HD LYS 7 1HD LYS 7 6.866 -9.446 -5.320 80 1HE LYS 7 2HE LYS 7 5.925 -11.724 -3.777 81 2HE LYS 7 1HE LYS 7 6.152 -12.155 -5.484 82 1HZ LYS 7 1HZ LYS 7 8.107 -10.777 -3.720 83 2HZ LYS 7 2HZ LYS 7 8.309 -10.974 -5.395 84 3HZ LYS 7 3HZ LYS 7 8.256 -12.334 -4.377 85 H ILE 8 H ILE 8 3.553 -5.680 -4.317 86 HA ILE 8 HA ILE 8 2.851 -4.851 -1.773 87 HB ILE 8 HB ILE 8 2.327 -3.505 -4.443 88 1HG1 ILE 8 2HG1 ILE 8 4.658 -4.182 -4.132 89 2HG1 ILE 8 1HG1 ILE 8 4.529 -2.432 -3.958 90 1HG2 ILE 8 1HG2 ILE 8 1.116 -2.223 -2.865 91 2HG2 ILE 8 2HG2 ILE 8 2.679 -1.412 -2.962 92 3HG2 ILE 8 3HG2 ILE 8 2.322 -2.479 -1.604 93 1HD1 ILE 8 1HD1 ILE 8 5.816 -2.983 -2.092 94 2HD1 ILE 8 2HD1 ILE 8 4.978 -4.515 -1.843 95 3HD1 ILE 8 3HD1 ILE 8 4.189 -2.999 -1.410 96 HA PRO 9 HA PRO 9 -1.504 -6.059 -1.986 97 1HB PRO 9 2HB PRO 9 -1.819 -6.261 0.718 98 2HB PRO 9 1HB PRO 9 -1.104 -7.552 -0.267 99 1HG PRO 9 2HG PRO 9 0.219 -5.558 1.486 100 2HG PRO 9 1HG PRO 9 0.653 -7.242 1.159 101 1HD PRO 9 2HD PRO 9 1.896 -5.050 0.037 102 2HD PRO 9 1HD PRO 9 1.914 -6.689 -0.648 103 H LYS 10 H LYS 10 -1.412 -3.557 -2.646 104 HA LYS 10 HA LYS 10 -2.103 -1.697 -0.474 105 1HB LYS 10 2HB LYS 10 -1.226 -1.653 -3.225 106 2HB LYS 10 1HB LYS 10 -2.643 -0.618 -3.043 107 1HG LYS 10 2HG LYS 10 -0.860 -0.246 -0.801 108 2HG LYS 10 1HG LYS 10 0.014 -0.008 -2.314 109 1HD LYS 10 2HD LYS 10 -2.569 1.230 -2.532 110 2HD LYS 10 1HD LYS 10 -1.787 1.792 -1.053 111 1HE LYS 10 2HE LYS 10 0.042 2.707 -2.212 112 2HE LYS 10 1HE LYS 10 -0.235 1.689 -3.640 113 1HZ LYS 10 1HZ LYS 10 -1.122 3.765 -4.215 114 2HZ LYS 10 2HZ LYS 10 -1.837 3.990 -2.691 115 3HZ LYS 10 3HZ LYS 10 -2.475 2.844 -3.771 116 H PHE 11 H PHE 11 -3.790 -4.070 -2.088 117 HA PHE 11 HA PHE 11 -6.262 -2.829 -2.809 118 1HB PHE 11 2HB PHE 11 -5.102 -5.299 -2.951 119 2HB PHE 11 1HB PHE 11 -6.299 -5.569 -1.684 120 HD1 PHE 11 HD1 PHE 11 -5.746 -5.005 -5.228 121 HD2 PHE 11 HD2 PHE 11 -8.723 -5.065 -2.132 122 HE1 PHE 11 HE1 PHE 11 -7.529 -5.139 -6.947 123 HE2 PHE 11 HE2 PHE 11 -10.508 -5.198 -3.851 124 HZ PHE 11 HZ PHE 11 -9.910 -5.238 -6.258 125 H LEU 12 H LEU 12 -5.020 -4.005 0.288 126 HA LEU 12 HA LEU 12 -7.406 -4.112 1.798 127 1HB LEU 12 2HB LEU 12 -4.499 -3.699 2.259 128 2HB LEU 12 1HB LEU 12 -5.568 -3.264 3.593 129 HG LEU 12 HG LEU 12 -6.687 -5.594 3.053 130 1HD1 LEU 12 1HD1 LEU 12 -3.879 -5.863 1.942 131 2HD1 LEU 12 2HD1 LEU 12 -5.389 -6.096 1.063 132 3HD1 LEU 12 3HD1 LEU 12 -4.925 -7.229 2.331 133 1HD2 LEU 12 1HD2 LEU 12 -5.845 -5.604 5.175 134 2HD2 LEU 12 2HD2 LEU 12 -4.346 -4.811 4.688 135 3HD2 LEU 12 3HD2 LEU 12 -4.543 -6.548 4.452 136 H HIS 13 H HIS 13 -5.347 -1.297 1.024 137 HA HIS 13 HA HIS 13 -6.828 0.547 2.708 138 1HB HIS 13 2HB HIS 13 -4.517 0.950 2.076 139 2HB HIS 13 1HB HIS 13 -4.932 0.884 0.362 140 HD1 HIS 13 HD1 HIS 13 -4.250 3.340 -0.109 141 HD2 HIS 13 HD2 HIS 13 -7.171 2.960 2.842 142 HE1 HIS 13 HE1 HIS 13 -5.155 5.670 0.308 143 H SER 14 H SER 14 -7.310 -0.759 -0.476 144 HA SER 14 HA SER 14 -8.941 1.404 -1.515 145 1HB SER 14 2HB SER 14 -7.661 -0.791 -2.514 146 2HB SER 14 1HB SER 14 -9.327 -1.362 -2.500 147 HG SER 14 HG SER 14 -8.737 1.206 -3.472 148 H ALA 15 H ALA 15 -9.479 -0.951 0.849 149 HA ALA 15 HA ALA 15 -12.219 -1.659 0.415 150 1HB ALA 15 1HB ALA 15 -11.849 -2.775 2.367 151 2HB ALA 15 2HB ALA 15 -11.348 -1.306 3.203 152 3HB ALA 15 3HB ALA 15 -10.189 -2.199 2.220 153 H LYS 16 H LYS 16 -10.718 1.287 1.435 154 HA LYS 16 HA LYS 16 -12.865 2.437 2.968 155 1HB LYS 16 2HB LYS 16 -10.324 3.055 2.564 156 2HB LYS 16 1HB LYS 16 -10.985 4.031 1.252 157 1HG LYS 16 2HG LYS 16 -12.156 5.427 2.695 158 2HG LYS 16 1HG LYS 16 -12.246 4.207 3.967 159 1HD LYS 16 2HD LYS 16 -9.565 4.511 3.837 160 2HD LYS 16 1HD LYS 16 -10.067 6.127 3.335 161 1HE LYS 16 2HE LYS 16 -10.153 6.497 5.605 162 2HE LYS 16 1HE LYS 16 -11.740 5.717 5.460 163 1HZ LYS 16 1HZ LYS 16 -10.910 3.686 6.121 164 2HZ LYS 16 2HZ LYS 16 -10.003 4.741 7.096 165 3HZ LYS 16 3HZ LYS 16 -9.313 4.068 5.697 166 H LYS 17 H LYS 17 -12.677 1.658 -0.339 167 HA LYS 17 HA LYS 17 -13.880 3.776 -1.714 168 1HB LYS 17 2HB LYS 17 -13.764 0.822 -1.897 169 2HB LYS 17 1HB LYS 17 -15.072 1.578 -2.808 170 1HG LYS 17 2HG LYS 17 -12.437 2.911 -3.034 171 2HG LYS 17 1HG LYS 17 -12.542 1.310 -3.768 172 1HD LYS 17 2HD LYS 17 -13.640 2.192 -5.520 173 2HD LYS 17 1HD LYS 17 -14.929 2.718 -4.437 174 1HE LYS 17 2HE LYS 17 -14.264 4.881 -4.585 175 2HE LYS 17 1HE LYS 17 -12.580 4.447 -4.232 176 1HZ LYS 17 1HZ LYS 17 -12.081 4.219 -6.406 177 2HZ LYS 17 2HZ LYS 17 -13.407 5.254 -6.637 178 3HZ LYS 17 3HZ LYS 17 -13.598 3.575 -6.808 179 H PHE 18 H PHE 18 -15.350 1.575 0.619 180 HA PHE 18 HA PHE 18 -18.097 1.981 -0.011 181 1HB PHE 18 2HB PHE 18 -16.796 0.436 1.687 182 2HB PHE 18 1HB PHE 18 -17.094 1.763 2.812 183 HD1 PHE 18 HD1 PHE 18 -19.687 2.789 2.122 184 HD2 PHE 18 HD2 PHE 18 -18.325 -1.286 2.111 185 HE1 PHE 18 HE1 PHE 18 -22.021 2.008 2.427 186 HE2 PHE 18 HE2 PHE 18 -20.660 -2.066 2.417 187 HZ PHE 18 HZ PHE 18 -22.507 -0.419 2.574 188 1HN NH2 19 1HN NH2 19 -16.486 3.545 2.815 189 2HN NH2 19 2HN NH2 19 -17.295 5.029 2.653 Start of MODEL 13 1 1H LYS 1 1H LYS 1 5.400 -13.318 -2.128 2 2H LYS 1 2H LYS 1 6.868 -12.629 -2.638 3 3H LYS 1 3H LYS 1 5.867 -11.792 -1.551 4 HA LYS 1 HA LYS 1 6.312 -13.316 0.199 5 1HB LYS 1 2HB LYS 1 7.428 -14.886 -2.131 6 2HB LYS 1 1HB LYS 1 7.797 -15.318 -0.461 7 1HG LYS 1 2HG LYS 1 5.834 -16.410 -0.340 8 2HG LYS 1 1HG LYS 1 4.996 -14.879 -0.590 9 1HD LYS 1 2HD LYS 1 4.209 -16.164 -2.380 10 2HD LYS 1 1HD LYS 1 5.550 -15.287 -3.118 11 1HE LYS 1 2HE LYS 1 6.319 -17.342 -3.741 12 2HE LYS 1 1HE LYS 1 6.782 -17.540 -2.038 13 1HZ LYS 1 1HZ LYS 1 4.136 -18.010 -1.964 14 2HZ LYS 1 2HZ LYS 1 5.318 -19.224 -2.071 15 3HZ LYS 1 3HZ LYS 1 4.538 -18.668 -3.474 16 H TRP 2 H TRP 2 7.581 -10.952 -1.040 17 HA TRP 2 HA TRP 2 10.185 -11.120 0.328 18 1HB TRP 2 2HB TRP 2 10.042 -11.875 -2.303 19 2HB TRP 2 1HB TRP 2 10.388 -10.156 -2.470 20 HD1 TRP 2 HD1 TRP 2 12.689 -9.255 -1.393 21 HE1 TRP 2 HE1 TRP 2 14.891 -10.474 -0.841 22 HE3 TRP 2 HE3 TRP 2 11.069 -14.096 -1.520 23 HZ2 TRP 2 HZ2 TRP 2 15.841 -13.151 -0.496 24 HZ3 TRP 2 HZ3 TRP 2 12.643 -15.958 -1.077 25 HH2 TRP 2 HH2 TRP 2 15.024 -15.494 -0.567 26 H LYS 3 H LYS 3 10.929 -8.716 -1.503 27 HA LYS 3 HA LYS 3 10.221 -6.586 0.150 28 1HB LYS 3 2HB LYS 3 11.885 -6.528 -1.662 29 2HB LYS 3 1HB LYS 3 10.595 -6.658 -2.858 30 1HG LYS 3 2HG LYS 3 10.238 -4.439 -2.789 31 2HG LYS 3 1HG LYS 3 10.038 -4.486 -1.038 32 1HD LYS 3 2HD LYS 3 12.765 -4.842 -1.356 33 2HD LYS 3 1HD LYS 3 12.366 -3.679 -2.621 34 1HE LYS 3 2HE LYS 3 11.059 -2.398 -0.798 35 2HE LYS 3 1HE LYS 3 11.943 -3.413 0.361 36 1HZ LYS 3 1HZ LYS 3 13.995 -2.674 -0.446 37 2HZ LYS 3 2HZ LYS 3 13.063 -1.258 -0.344 38 3HZ LYS 3 3HZ LYS 3 13.317 -2.004 -1.850 39 H LEU 4 H LEU 4 8.260 -8.266 -2.136 40 HA LEU 4 HA LEU 4 6.236 -6.258 -2.578 41 1HB LEU 4 2HB LEU 4 6.037 -9.285 -2.645 42 2HB LEU 4 1HB LEU 4 5.020 -8.145 -3.525 43 HG LEU 4 HG LEU 4 7.558 -7.381 -4.292 44 1HD1 LEU 4 1HD1 LEU 4 8.159 -9.959 -5.071 45 2HD1 LEU 4 2HD1 LEU 4 7.599 -10.187 -3.414 46 3HD1 LEU 4 3HD1 LEU 4 8.943 -9.094 -3.749 47 1HD2 LEU 4 1HD2 LEU 4 6.984 -8.622 -6.417 48 2HD2 LEU 4 2HD2 LEU 4 5.686 -7.593 -5.813 49 3HD2 LEU 4 3HD2 LEU 4 5.618 -9.337 -5.560 50 H PHE 5 H PHE 5 7.090 -7.894 0.215 51 HA PHE 5 HA PHE 5 4.775 -8.775 1.475 52 1HB PHE 5 2HB PHE 5 7.393 -7.681 2.159 53 2HB PHE 5 1HB PHE 5 6.188 -7.347 3.396 54 HD1 PHE 5 HD1 PHE 5 8.578 -9.654 2.374 55 HD2 PHE 5 HD2 PHE 5 4.544 -9.478 3.837 56 HE1 PHE 5 HE1 PHE 5 8.765 -11.996 3.162 57 HE2 PHE 5 HE2 PHE 5 4.729 -11.822 4.626 58 HZ PHE 5 HZ PHE 5 6.840 -13.081 4.289 59 H LYS 6 H LYS 6 5.621 -5.543 0.608 60 HA LYS 6 HA LYS 6 3.426 -4.413 2.287 61 1HB LYS 6 2HB LYS 6 5.936 -3.412 0.986 62 2HB LYS 6 1HB LYS 6 4.657 -2.261 1.374 63 1HG LYS 6 2HG LYS 6 5.225 -4.156 3.547 64 2HG LYS 6 1HG LYS 6 6.593 -3.120 3.140 65 1HD LYS 6 2HD LYS 6 4.562 -1.304 3.106 66 2HD LYS 6 1HD LYS 6 3.989 -2.415 4.352 67 1HE LYS 6 2HE LYS 6 5.551 -1.691 5.831 68 2HE LYS 6 1HE LYS 6 6.847 -1.826 4.625 69 1HZ LYS 6 1HZ LYS 6 5.065 0.432 5.193 70 2HZ LYS 6 2HZ LYS 6 5.561 0.194 3.585 71 3HZ LYS 6 3HZ LYS 6 6.717 0.435 4.806 72 H LYS 7 H LYS 7 3.480 -5.745 -0.669 73 HA LYS 7 HA LYS 7 1.932 -3.530 -1.970 74 1HB LYS 7 2HB LYS 7 3.778 -4.190 -3.315 75 2HB LYS 7 1HB LYS 7 3.506 -5.903 -2.984 76 1HG LYS 7 2HG LYS 7 1.798 -6.069 -4.514 77 2HG LYS 7 1HG LYS 7 1.268 -4.407 -4.259 78 1HD LYS 7 2HD LYS 7 3.242 -3.590 -5.502 79 2HD LYS 7 1HD LYS 7 3.752 -5.257 -5.775 80 1HE LYS 7 2HE LYS 7 2.577 -4.770 -7.760 81 2HE LYS 7 1HE LYS 7 1.316 -5.530 -6.769 82 1HZ LYS 7 1HZ LYS 7 0.966 -3.156 -7.823 83 2HZ LYS 7 2HZ LYS 7 1.790 -2.665 -6.421 84 3HZ LYS 7 3HZ LYS 7 0.342 -3.544 -6.294 85 H ILE 8 H ILE 8 1.731 -6.808 -0.763 86 HA ILE 8 HA ILE 8 -0.622 -7.650 -2.167 87 HB ILE 8 HB ILE 8 0.676 -8.373 0.467 88 1HG1 ILE 8 2HG1 ILE 8 0.478 -9.912 -2.134 89 2HG1 ILE 8 1HG1 ILE 8 1.828 -8.845 -1.740 90 1HG2 ILE 8 1HG2 ILE 8 -1.872 -8.840 0.303 91 2HG2 ILE 8 2HG2 ILE 8 -0.816 -10.181 0.737 92 3HG2 ILE 8 3HG2 ILE 8 -1.426 -10.037 -0.912 93 1HD1 ILE 8 1HD1 ILE 8 1.154 -11.512 -0.648 94 2HD1 ILE 8 2HD1 ILE 8 1.691 -10.323 0.538 95 3HD1 ILE 8 3HD1 ILE 8 2.726 -10.733 -0.830 96 HA PRO 9 HA PRO 9 -3.053 -6.172 1.732 97 1HB PRO 9 2HB PRO 9 -1.773 -4.389 3.377 98 2HB PRO 9 1HB PRO 9 -1.733 -6.148 3.623 99 1HG PRO 9 2HG PRO 9 0.292 -4.378 2.317 100 2HG PRO 9 1HG PRO 9 0.533 -5.695 3.479 101 1HD PRO 9 2HD PRO 9 0.951 -6.057 0.862 102 2HD PRO 9 1HD PRO 9 0.258 -7.339 1.880 103 H LYS 10 H LYS 10 -1.244 -4.325 -0.467 104 HA LYS 10 HA LYS 10 -2.088 -1.661 -0.025 105 1HB LYS 10 2HB LYS 10 -1.327 -3.364 -2.359 106 2HB LYS 10 1HB LYS 10 -2.044 -1.792 -2.703 107 1HG LYS 10 2HG LYS 10 0.270 -2.140 -0.786 108 2HG LYS 10 1HG LYS 10 0.498 -1.820 -2.505 109 1HD LYS 10 2HD LYS 10 -1.151 0.168 -2.099 110 2HD LYS 10 1HD LYS 10 -0.715 -0.045 -0.403 111 1HE LYS 10 2HE LYS 10 1.752 -0.126 -1.649 112 2HE LYS 10 1HE LYS 10 0.878 1.094 -2.595 113 1HZ LYS 10 1HZ LYS 10 0.142 2.082 -0.469 114 2HZ LYS 10 2HZ LYS 10 1.827 2.154 -0.680 115 3HZ LYS 10 3HZ LYS 10 1.147 0.998 0.362 116 H PHE 11 H PHE 11 -3.935 -4.440 -0.951 117 HA PHE 11 HA PHE 11 -6.100 -3.153 -2.337 118 1HB PHE 11 2HB PHE 11 -5.648 -5.548 -2.435 119 2HB PHE 11 1HB PHE 11 -5.889 -5.695 -0.693 120 HD1 PHE 11 HD1 PHE 11 -8.073 -5.847 0.256 121 HD2 PHE 11 HD2 PHE 11 -7.586 -4.904 -3.906 122 HE1 PHE 11 HE1 PHE 11 -10.509 -6.156 -0.099 123 HE2 PHE 11 HE2 PHE 11 -10.022 -5.213 -4.261 124 HZ PHE 11 HZ PHE 11 -11.483 -5.839 -2.358 125 H LEU 12 H LEU 12 -5.694 -4.106 1.096 126 HA LEU 12 HA LEU 12 -8.161 -3.441 2.170 127 1HB LEU 12 2HB LEU 12 -5.382 -3.573 3.032 128 2HB LEU 12 1HB LEU 12 -6.279 -2.358 3.944 129 HG LEU 12 HG LEU 12 -8.104 -4.158 4.205 130 1HD1 LEU 12 1HD1 LEU 12 -6.092 -6.273 4.047 131 2HD1 LEU 12 2HD1 LEU 12 -6.420 -5.541 2.478 132 3HD1 LEU 12 3HD1 LEU 12 -7.738 -6.243 3.416 133 1HD2 LEU 12 1HD2 LEU 12 -5.376 -4.325 5.506 134 2HD2 LEU 12 2HD2 LEU 12 -6.738 -5.304 6.051 135 3HD2 LEU 12 3HD2 LEU 12 -6.830 -3.545 6.129 136 H HIS 13 H HIS 13 -5.696 -1.217 0.971 137 HA HIS 13 HA HIS 13 -6.858 1.194 2.082 138 1HB HIS 13 2HB HIS 13 -4.488 0.677 1.140 139 2HB HIS 13 1HB HIS 13 -5.209 0.993 -0.438 140 HD1 HIS 13 HD1 HIS 13 -7.192 3.240 0.844 141 HD2 HIS 13 HD2 HIS 13 -3.029 3.153 1.028 142 HE1 HIS 13 HE1 HIS 13 -6.443 5.627 1.242 143 H SER 14 H SER 14 -7.172 -0.516 -1.026 144 HA SER 14 HA SER 14 -8.884 1.482 -2.237 145 1HB SER 14 2HB SER 14 -9.328 -0.873 -3.571 146 2HB SER 14 1HB SER 14 -7.962 0.195 -3.880 147 HG SER 14 HG SER 14 -7.236 -1.903 -3.461 148 H ALA 15 H ALA 15 -9.379 -1.199 -0.112 149 HA ALA 15 HA ALA 15 -12.225 -1.540 -0.649 150 1HB ALA 15 1HB ALA 15 -10.219 -2.973 0.566 151 2HB ALA 15 2HB ALA 15 -11.937 -3.337 0.727 152 3HB ALA 15 3HB ALA 15 -11.120 -2.375 1.958 153 H LYS 16 H LYS 16 -10.458 0.876 0.908 154 HA LYS 16 HA LYS 16 -12.158 1.423 3.178 155 1HB LYS 16 2HB LYS 16 -10.010 2.757 1.595 156 2HB LYS 16 1HB LYS 16 -11.013 3.795 2.609 157 1HG LYS 16 2HG LYS 16 -10.520 1.762 4.344 158 2HG LYS 16 1HG LYS 16 -9.032 1.736 3.395 159 1HD LYS 16 2HD LYS 16 -8.291 3.623 4.375 160 2HD LYS 16 1HD LYS 16 -9.803 4.461 4.023 161 1HE LYS 16 2HE LYS 16 -9.759 2.437 6.247 162 2HE LYS 16 1HE LYS 16 -9.107 4.063 6.539 163 1HZ LYS 16 1HZ LYS 16 -11.734 3.577 5.249 164 2HZ LYS 16 2HZ LYS 16 -11.120 5.049 5.832 165 3HZ LYS 16 3HZ LYS 16 -11.564 3.821 6.918 166 H LYS 17 H LYS 17 -12.415 2.066 -0.244 167 HA LYS 17 HA LYS 17 -14.149 4.335 -0.210 168 1HB LYS 17 2HB LYS 17 -13.001 2.534 -2.048 169 2HB LYS 17 1HB LYS 17 -14.742 2.413 -2.308 170 1HG LYS 17 2HG LYS 17 -14.917 4.820 -2.603 171 2HG LYS 17 1HG LYS 17 -13.213 5.028 -2.196 172 1HD LYS 17 2HD LYS 17 -12.675 3.520 -4.173 173 2HD LYS 17 1HD LYS 17 -14.372 3.662 -4.636 174 1HE LYS 17 2HE LYS 17 -13.193 6.272 -4.036 175 2HE LYS 17 1HE LYS 17 -12.354 5.441 -5.362 176 1HZ LYS 17 1HZ LYS 17 -15.284 5.332 -5.264 177 2HZ LYS 17 2HZ LYS 17 -14.247 5.300 -6.610 178 3HZ LYS 17 3HZ LYS 17 -14.558 6.765 -5.809 179 H PHE 18 H PHE 18 -14.689 1.107 0.832 180 HA PHE 18 HA PHE 18 -17.630 1.260 0.446 181 1HB PHE 18 2HB PHE 18 -15.600 -0.758 0.650 182 2HB PHE 18 1HB PHE 18 -16.785 -1.027 1.929 183 HD1 PHE 18 HD1 PHE 18 -19.326 -0.370 0.968 184 HD2 PHE 18 HD2 PHE 18 -16.039 -1.998 -1.265 185 HE1 PHE 18 HE1 PHE 18 -20.916 -1.293 -0.697 186 HE2 PHE 18 HE2 PHE 18 -17.627 -2.921 -2.930 187 HZ PHE 18 HZ PHE 18 -20.064 -2.570 -2.646 188 1HN NH2 19 1HN NH2 19 -15.215 1.728 2.962 189 2HN NH2 19 2HN NH2 19 -16.304 1.944 4.247 Start of MODEL 14 1 1H LYS 1 1H LYS 1 12.409 -4.998 5.422 2 2H LYS 1 2H LYS 1 12.202 -6.585 4.852 3 3H LYS 1 3H LYS 1 11.440 -6.088 6.287 4 HA LYS 1 HA LYS 1 9.848 -4.844 5.194 5 1HB LYS 1 2HB LYS 1 10.356 -4.288 2.697 6 2HB LYS 1 1HB LYS 1 11.236 -3.410 3.946 7 1HG LYS 1 2HG LYS 1 12.996 -5.356 3.681 8 2HG LYS 1 1HG LYS 1 12.214 -5.588 2.119 9 1HD LYS 1 2HD LYS 1 12.508 -3.001 1.872 10 2HD LYS 1 1HD LYS 1 13.718 -3.191 3.140 11 1HE LYS 1 2HE LYS 1 15.166 -4.360 1.770 12 2HE LYS 1 1HE LYS 1 13.849 -5.089 0.829 13 1HZ LYS 1 1HZ LYS 1 14.493 -3.485 -0.634 14 2HZ LYS 1 2HZ LYS 1 15.066 -2.439 0.576 15 3HZ LYS 1 3HZ LYS 1 13.398 -2.567 0.280 16 H TRP 2 H TRP 2 9.353 -7.311 5.654 17 HA TRP 2 HA TRP 2 8.490 -8.519 3.054 18 1HB TRP 2 2HB TRP 2 10.617 -9.443 4.366 19 2HB TRP 2 1HB TRP 2 9.385 -10.239 5.342 20 HD1 TRP 2 HD1 TRP 2 7.436 -11.569 3.759 21 HE1 TRP 2 HE1 TRP 2 7.879 -13.112 1.742 22 HE3 TRP 2 HE3 TRP 2 12.146 -10.042 2.496 23 HZ2 TRP 2 HZ2 TRP 2 9.953 -13.630 -0.155 24 HZ3 TRP 2 HZ3 TRP 2 13.328 -11.078 0.579 25 HH2 TRP 2 HH2 TRP 2 12.239 -12.868 -0.747 26 H LYS 3 H LYS 3 8.179 -9.487 6.493 27 HA LYS 3 HA LYS 3 5.313 -9.974 6.151 28 1HB LYS 3 2HB LYS 3 7.266 -10.041 8.468 29 2HB LYS 3 1HB LYS 3 5.563 -10.459 8.648 30 1HG LYS 3 2HG LYS 3 6.111 -12.004 6.534 31 2HG LYS 3 1HG LYS 3 7.733 -11.930 7.223 32 1HD LYS 3 2HD LYS 3 6.884 -12.722 9.380 33 2HD LYS 3 1HD LYS 3 5.236 -12.732 8.748 34 1HE LYS 3 2HE LYS 3 7.552 -14.489 7.870 35 2HE LYS 3 1HE LYS 3 6.006 -15.002 8.575 36 1HZ LYS 3 1HZ LYS 3 5.033 -13.640 6.606 37 2HZ LYS 3 2HZ LYS 3 5.576 -15.229 6.341 38 3HZ LYS 3 3HZ LYS 3 6.551 -13.909 5.897 39 H LEU 4 H LEU 4 7.101 -7.197 6.588 40 HA LEU 4 HA LEU 4 5.473 -5.818 8.563 41 1HB LEU 4 2HB LEU 4 7.560 -5.088 6.508 42 2HB LEU 4 1HB LEU 4 6.740 -3.838 7.445 43 HG LEU 4 HG LEU 4 7.511 -5.865 9.278 44 1HD1 LEU 4 1HD1 LEU 4 9.864 -6.111 8.930 45 2HD1 LEU 4 2HD1 LEU 4 9.864 -4.916 7.632 46 3HD1 LEU 4 3HD1 LEU 4 9.105 -6.489 7.382 47 1HD2 LEU 4 1HD2 LEU 4 9.088 -3.344 8.945 48 2HD2 LEU 4 2HD2 LEU 4 8.418 -4.061 10.412 49 3HD2 LEU 4 3HD2 LEU 4 7.363 -3.201 9.288 50 H PHE 5 H PHE 5 4.819 -6.824 5.441 51 HA PHE 5 HA PHE 5 3.539 -4.597 4.227 52 1HB PHE 5 2HB PHE 5 4.010 -7.267 3.691 53 2HB PHE 5 1HB PHE 5 2.253 -7.212 3.853 54 HD1 PHE 5 HD1 PHE 5 0.903 -5.712 2.408 55 HD2 PHE 5 HD2 PHE 5 5.137 -6.175 1.858 56 HE1 PHE 5 HE1 PHE 5 0.720 -4.693 0.156 57 HE2 PHE 5 HE2 PHE 5 4.954 -5.156 -0.397 58 HZ PHE 5 HZ PHE 5 2.746 -4.415 -1.247 59 H LYS 6 H LYS 6 2.680 -6.351 7.021 60 HA LYS 6 HA LYS 6 -0.193 -6.106 6.917 61 1HB LYS 6 2HB LYS 6 1.861 -7.119 8.618 62 2HB LYS 6 1HB LYS 6 0.856 -6.045 9.593 63 1HG LYS 6 2HG LYS 6 -0.768 -7.597 9.669 64 2HG LYS 6 1HG LYS 6 -0.852 -7.617 7.907 65 1HD LYS 6 2HD LYS 6 1.060 -9.206 7.857 66 2HD LYS 6 1HD LYS 6 1.066 -9.226 9.620 67 1HE LYS 6 2HE LYS 6 -0.209 -11.154 8.923 68 2HE LYS 6 1HE LYS 6 -1.395 -9.955 9.476 69 1HZ LYS 6 1HZ LYS 6 -0.936 -10.965 6.830 70 2HZ LYS 6 2HZ LYS 6 -0.920 -9.266 6.882 71 3HZ LYS 6 3HZ LYS 6 -2.275 -10.124 7.444 72 H LYS 7 H LYS 7 2.252 -3.775 7.227 73 HA LYS 7 HA LYS 7 0.696 -1.933 8.937 74 1HB LYS 7 2HB LYS 7 3.176 -2.236 9.081 75 2HB LYS 7 1HB LYS 7 3.316 -1.606 7.438 76 1HG LYS 7 2HG LYS 7 3.618 0.357 8.600 77 2HG LYS 7 1HG LYS 7 1.857 0.372 8.482 78 1HD LYS 7 2HD LYS 7 1.846 0.511 10.739 79 2HD LYS 7 1HD LYS 7 2.334 -1.183 10.731 80 1HE LYS 7 2HE LYS 7 4.726 -0.475 10.687 81 2HE LYS 7 1HE LYS 7 4.198 1.217 10.797 82 1HZ LYS 7 1HZ LYS 7 4.573 0.431 13.007 83 2HZ LYS 7 2HZ LYS 7 3.637 -0.962 12.736 84 3HZ LYS 7 3HZ LYS 7 2.895 0.566 12.790 85 H ILE 8 H ILE 8 1.768 -2.228 5.550 86 HA ILE 8 HA ILE 8 -0.067 0.046 4.856 87 HB ILE 8 HB ILE 8 2.414 -1.001 3.452 88 1HG1 ILE 8 2HG1 ILE 8 2.858 0.061 5.669 89 2HG1 ILE 8 1HG1 ILE 8 3.513 1.004 4.328 90 1HG2 ILE 8 1HG2 ILE 8 2.206 0.899 2.012 91 2HG2 ILE 8 2HG2 ILE 8 0.937 1.604 3.012 92 3HG2 ILE 8 3HG2 ILE 8 0.610 0.153 2.064 93 1HD1 ILE 8 1HD1 ILE 8 1.035 2.087 4.485 94 2HD1 ILE 8 2HD1 ILE 8 2.419 2.720 5.377 95 3HD1 ILE 8 3HD1 ILE 8 1.275 1.640 6.173 96 HA PRO 9 HA PRO 9 -1.815 -3.666 2.821 97 1HB PRO 9 2HB PRO 9 -4.413 -3.118 3.451 98 2HB PRO 9 1HB PRO 9 -3.314 -3.969 4.554 99 1HG PRO 9 2HG PRO 9 -4.290 -1.185 4.641 100 2HG PRO 9 1HG PRO 9 -3.793 -2.253 5.959 101 1HD PRO 9 2HD PRO 9 -2.276 -0.178 4.839 102 2HD PRO 9 1HD PRO 9 -1.683 -1.449 5.928 103 H LYS 10 H LYS 10 -0.987 -1.791 1.106 104 HA LYS 10 HA LYS 10 -2.676 0.079 -0.077 105 1HB LYS 10 2HB LYS 10 -0.464 -1.683 -0.868 106 2HB LYS 10 1HB LYS 10 -1.510 -1.253 -2.222 107 1HG LYS 10 2HG LYS 10 -1.041 1.069 -0.571 108 2HG LYS 10 1HG LYS 10 0.498 0.348 -1.044 109 1HD LYS 10 2HD LYS 10 -0.522 0.236 -3.426 110 2HD LYS 10 1HD LYS 10 -1.710 1.387 -2.815 111 1HE LYS 10 2HE LYS 10 -0.229 3.083 -3.042 112 2HE LYS 10 1HE LYS 10 0.951 2.223 -2.033 113 1HZ LYS 10 1HZ LYS 10 1.231 0.753 -4.117 114 2HZ LYS 10 2HZ LYS 10 1.993 2.271 -4.084 115 3HZ LYS 10 3HZ LYS 10 0.549 2.063 -4.951 116 H PHE 11 H PHE 11 -2.918 -3.422 -0.144 117 HA PHE 11 HA PHE 11 -4.836 -3.649 -2.291 118 1HB PHE 11 2HB PHE 11 -3.263 -5.327 -0.875 119 2HB PHE 11 1HB PHE 11 -4.782 -5.574 -0.014 120 HD1 PHE 11 HD1 PHE 11 -3.168 -5.699 -3.360 121 HD2 PHE 11 HD2 PHE 11 -6.596 -6.771 -1.005 122 HE1 PHE 11 HE1 PHE 11 -3.974 -7.155 -5.198 123 HE2 PHE 11 HE2 PHE 11 -7.403 -8.228 -2.844 124 HZ PHE 11 HZ PHE 11 -6.092 -8.419 -4.939 125 H LEU 12 H LEU 12 -5.211 -3.801 1.267 126 HA LEU 12 HA LEU 12 -8.099 -3.764 1.201 127 1HB LEU 12 2HB LEU 12 -6.111 -4.309 3.008 128 2HB LEU 12 1HB LEU 12 -6.678 -2.743 3.585 129 HG LEU 12 HG LEU 12 -8.989 -3.588 3.643 130 1HD1 LEU 12 1HD1 LEU 12 -9.592 -5.447 2.527 131 2HD1 LEU 12 2HD1 LEU 12 -8.401 -6.407 3.406 132 3HD1 LEU 12 3HD1 LEU 12 -7.937 -5.567 1.925 133 1HD2 LEU 12 1HD2 LEU 12 -7.827 -3.840 5.705 134 2HD2 LEU 12 2HD2 LEU 12 -6.863 -5.181 5.085 135 3HD2 LEU 12 3HD2 LEU 12 -8.580 -5.408 5.414 136 H HIS 13 H HIS 13 -5.843 -1.351 0.520 137 HA HIS 13 HA HIS 13 -6.967 0.955 1.782 138 1HB HIS 13 2HB HIS 13 -4.774 0.966 0.766 139 2HB HIS 13 1HB HIS 13 -5.444 0.505 -0.799 140 HD1 HIS 13 HD1 HIS 13 -5.191 2.520 -2.255 141 HD2 HIS 13 HD2 HIS 13 -6.602 3.523 1.537 142 HE1 HIS 13 HE1 HIS 13 -5.700 5.001 -2.313 143 H SER 14 H SER 14 -7.765 -0.723 -1.250 144 HA SER 14 HA SER 14 -9.638 1.276 -2.187 145 1HB SER 14 2HB SER 14 -9.959 -1.568 -2.964 146 2HB SER 14 1HB SER 14 -9.772 -0.145 -3.984 147 HG SER 14 HG SER 14 -7.712 -0.526 -4.055 148 H ALA 15 H ALA 15 -9.745 -1.157 0.204 149 HA ALA 15 HA ALA 15 -12.587 -1.733 0.172 150 1HB ALA 15 1HB ALA 15 -10.228 -2.584 1.473 151 2HB ALA 15 2HB ALA 15 -11.843 -3.269 1.660 152 3HB ALA 15 3HB ALA 15 -11.290 -2.001 2.753 153 H LYS 16 H LYS 16 -10.647 0.890 1.347 154 HA LYS 16 HA LYS 16 -12.486 1.820 3.399 155 1HB LYS 16 2HB LYS 16 -10.629 3.041 3.840 156 2HB LYS 16 1HB LYS 16 -9.875 2.355 2.406 157 1HG LYS 16 2HG LYS 16 -10.896 4.169 1.035 158 2HG LYS 16 1HG LYS 16 -11.563 4.876 2.507 159 1HD LYS 16 2HD LYS 16 -9.472 5.525 3.304 160 2HD LYS 16 1HD LYS 16 -8.623 4.292 2.372 161 1HE LYS 16 2HE LYS 16 -8.109 6.133 1.062 162 2HE LYS 16 1HE LYS 16 -9.675 5.726 0.331 163 1HZ LYS 16 1HZ LYS 16 -9.726 8.018 0.979 164 2HZ LYS 16 2HZ LYS 16 -9.182 7.646 2.544 165 3HZ LYS 16 3HZ LYS 16 -10.729 7.152 2.040 166 H LYS 17 H LYS 17 -12.075 2.362 -0.071 167 HA LYS 17 HA LYS 17 -13.906 4.619 -0.235 168 1HB LYS 17 2HB LYS 17 -12.016 3.416 -1.832 169 2HB LYS 17 1HB LYS 17 -13.513 2.873 -2.589 170 1HG LYS 17 2HG LYS 17 -12.973 4.944 -3.647 171 2HG LYS 17 1HG LYS 17 -14.274 5.311 -2.514 172 1HD LYS 17 2HD LYS 17 -12.960 6.728 -1.360 173 2HD LYS 17 1HD LYS 17 -11.699 5.505 -1.201 174 1HE LYS 17 2HE LYS 17 -10.502 6.330 -2.974 175 2HE LYS 17 1HE LYS 17 -11.965 6.720 -3.901 176 1HZ LYS 17 1HZ LYS 17 -12.319 8.654 -2.695 177 2HZ LYS 17 2HZ LYS 17 -10.630 8.649 -2.884 178 3HZ LYS 17 3HZ LYS 17 -11.324 8.168 -1.410 179 H PHE 18 H PHE 18 -14.304 1.263 0.215 180 HA PHE 18 HA PHE 18 -16.880 0.990 -1.153 181 1HB PHE 18 2HB PHE 18 -15.587 -0.969 -1.034 182 2HB PHE 18 1HB PHE 18 -15.087 -0.651 0.626 183 HD1 PHE 18 HD1 PHE 18 -17.998 -1.625 -1.490 184 HD2 PHE 18 HD2 PHE 18 -16.335 -1.474 2.467 185 HE1 PHE 18 HE1 PHE 18 -19.860 -3.035 -0.653 186 HE2 PHE 18 HE2 PHE 18 -18.195 -2.883 3.304 187 HZ PHE 18 HZ PHE 18 -19.958 -3.663 1.744 188 1HN NH2 19 1HN NH2 19 -16.128 2.771 1.514 189 2HN NH2 19 2HN NH2 19 -17.530 2.546 2.445 Start of MODEL 15 1 1H LYS 1 1H LYS 1 14.449 -8.329 5.287 2 2H LYS 1 2H LYS 1 12.924 -8.475 4.552 3 3H LYS 1 3H LYS 1 13.287 -9.373 5.948 4 HA LYS 1 HA LYS 1 12.780 -7.689 7.327 5 1HB LYS 1 2HB LYS 1 14.932 -6.683 6.580 6 2HB LYS 1 1HB LYS 1 14.086 -5.913 5.237 7 1HG LYS 1 2HG LYS 1 14.100 -4.208 6.838 8 2HG LYS 1 1HG LYS 1 12.528 -4.957 7.117 9 1HD LYS 1 2HD LYS 1 14.160 -6.491 8.705 10 2HD LYS 1 1HD LYS 1 14.914 -4.903 8.846 11 1HE LYS 1 2HE LYS 1 11.935 -5.351 9.220 12 2HE LYS 1 1HE LYS 1 13.097 -5.326 10.561 13 1HZ LYS 1 1HZ LYS 1 12.216 -3.150 8.838 14 2HZ LYS 1 2HZ LYS 1 13.869 -3.174 9.227 15 3HZ LYS 1 3HZ LYS 1 12.703 -3.114 10.461 16 H TRP 2 H TRP 2 12.323 -6.737 3.898 17 HA TRP 2 HA TRP 2 9.418 -6.574 4.280 18 1HB TRP 2 2HB TRP 2 9.477 -4.095 3.609 19 2HB TRP 2 1HB TRP 2 9.993 -4.472 5.251 20 HD1 TRP 2 HD1 TRP 2 12.452 -5.411 2.583 21 HE1 TRP 2 HE1 TRP 2 14.439 -3.769 2.616 22 HE3 TRP 2 HE3 TRP 2 10.594 -1.846 5.730 23 HZ2 TRP 2 HZ2 TRP 2 15.145 -1.271 3.820 24 HZ3 TRP 2 HZ3 TRP 2 11.942 0.152 6.304 25 HH2 TRP 2 HH2 TRP 2 14.215 0.444 5.353 26 H LYS 3 H LYS 3 10.088 -8.232 2.491 27 HA LYS 3 HA LYS 3 11.099 -7.321 -0.033 28 1HB LYS 3 2HB LYS 3 10.494 -9.702 1.174 29 2HB LYS 3 1HB LYS 3 9.177 -9.567 0.007 30 1HG LYS 3 2HG LYS 3 10.882 -10.660 -1.205 31 2HG LYS 3 1HG LYS 3 11.030 -8.975 -1.706 32 1HD LYS 3 2HD LYS 3 12.739 -8.712 0.179 33 2HD LYS 3 1HD LYS 3 12.739 -10.472 0.288 34 1HE LYS 3 2HE LYS 3 13.050 -9.358 -2.453 35 2HE LYS 3 1HE LYS 3 14.422 -9.117 -1.352 36 1HZ LYS 3 1HZ LYS 3 13.295 -11.594 -2.391 37 2HZ LYS 3 2HZ LYS 3 13.757 -11.618 -0.756 38 3HZ LYS 3 3HZ LYS 3 14.894 -11.231 -1.958 39 H LEU 4 H LEU 4 8.147 -6.717 1.500 40 HA LEU 4 HA LEU 4 6.510 -6.528 -0.943 41 1HB LEU 4 2HB LEU 4 6.072 -5.731 1.955 42 2HB LEU 4 1HB LEU 4 4.818 -5.747 0.714 43 HG LEU 4 HG LEU 4 6.468 -8.203 1.301 44 1HD1 LEU 4 1HD1 LEU 4 4.437 -6.942 2.980 45 2HD1 LEU 4 2HD1 LEU 4 5.505 -8.298 3.342 46 3HD1 LEU 4 3HD1 LEU 4 3.982 -8.576 2.498 47 1HD2 LEU 4 1HD2 LEU 4 4.939 -7.820 -0.780 48 2HD2 LEU 4 2HD2 LEU 4 3.610 -8.043 0.359 49 3HD2 LEU 4 3HD2 LEU 4 4.785 -9.335 0.110 50 H PHE 5 H PHE 5 9.019 -4.755 -0.236 51 HA PHE 5 HA PHE 5 7.969 -2.056 -0.003 52 1HB PHE 5 2HB PHE 5 10.302 -3.212 0.544 53 2HB PHE 5 1HB PHE 5 10.673 -2.706 -1.105 54 HD1 PHE 5 HD1 PHE 5 10.374 -1.663 2.325 55 HD2 PHE 5 HD2 PHE 5 10.269 -0.244 -1.728 56 HE1 PHE 5 HE1 PHE 5 10.779 0.649 3.125 57 HE2 PHE 5 HE2 PHE 5 10.673 2.069 -0.927 58 HZ PHE 5 HZ PHE 5 10.926 2.515 1.499 59 H LYS 6 H LYS 6 8.117 -4.230 -2.594 60 HA LYS 6 HA LYS 6 8.015 -1.982 -4.571 61 1HB LYS 6 2HB LYS 6 9.865 -3.969 -4.381 62 2HB LYS 6 1HB LYS 6 8.688 -4.728 -5.457 63 1HG LYS 6 2HG LYS 6 8.927 -3.089 -7.094 64 2HG LYS 6 1HG LYS 6 9.544 -1.898 -5.949 65 1HD LYS 6 2HD LYS 6 11.449 -3.836 -5.738 66 2HD LYS 6 1HD LYS 6 10.989 -4.009 -7.433 67 1HE LYS 6 2HE LYS 6 11.514 -1.264 -6.303 68 2HE LYS 6 1HE LYS 6 12.865 -2.283 -6.837 69 1HZ LYS 6 1HZ LYS 6 10.781 -1.023 -8.403 70 2HZ LYS 6 2HZ LYS 6 11.075 -2.648 -8.807 71 3HZ LYS 6 3HZ LYS 6 12.337 -1.512 -8.867 72 H LYS 7 H LYS 7 5.946 -3.852 -2.969 73 HA LYS 7 HA LYS 7 4.063 -3.983 -5.252 74 1HB LYS 7 2HB LYS 7 3.695 -6.341 -5.022 75 2HB LYS 7 1HB LYS 7 5.438 -6.108 -5.119 76 1HG LYS 7 2HG LYS 7 5.773 -6.618 -2.879 77 2HG LYS 7 1HG LYS 7 4.145 -6.132 -2.413 78 1HD LYS 7 2HD LYS 7 3.694 -8.351 -2.397 79 2HD LYS 7 1HD LYS 7 3.636 -8.196 -4.152 80 1HE LYS 7 2HE LYS 7 5.496 -9.466 -4.390 81 2HE LYS 7 1HE LYS 7 6.388 -8.455 -3.238 82 1HZ LYS 7 1HZ LYS 7 4.542 -9.793 -1.713 83 2HZ LYS 7 2HZ LYS 7 6.199 -10.141 -1.814 84 3HZ LYS 7 3HZ LYS 7 5.093 -10.967 -2.803 85 H ILE 8 H ILE 8 4.264 -2.488 -2.714 86 HA ILE 8 HA ILE 8 2.733 -3.328 -0.569 87 HB ILE 8 HB ILE 8 3.064 -0.738 -2.048 88 1HG1 ILE 8 2HG1 ILE 8 4.804 -1.713 -0.510 89 2HG1 ILE 8 1HG1 ILE 8 4.241 -0.114 -0.023 90 1HG2 ILE 8 1HG2 ILE 8 1.080 -1.304 0.148 91 2HG2 ILE 8 2HG2 ILE 8 0.862 -0.346 -1.316 92 3HG2 ILE 8 3HG2 ILE 8 1.834 0.283 0.014 93 1HD1 ILE 8 1HD1 ILE 8 3.786 -1.015 1.997 94 2HD1 ILE 8 2HD1 ILE 8 4.021 -2.654 1.390 95 3HD1 ILE 8 3HD1 ILE 8 2.454 -1.866 1.215 96 HA PRO 9 HA PRO 9 -1.046 -4.375 -2.801 97 1HB PRO 9 2HB PRO 9 -2.211 -5.650 -0.678 98 2HB PRO 9 1HB PRO 9 -0.992 -6.419 -1.715 99 1HG PRO 9 2HG PRO 9 -0.675 -5.173 0.972 100 2HG PRO 9 1HG PRO 9 0.057 -6.648 0.319 101 1HD PRO 9 2HD PRO 9 1.390 -4.289 0.497 102 2HD PRO 9 1HD PRO 9 1.727 -5.502 -0.758 103 H LYS 10 H LYS 10 -1.820 -2.181 -2.917 104 HA LYS 10 HA LYS 10 -2.876 -0.809 -0.570 105 1HB LYS 10 2HB LYS 10 -3.330 -0.311 -3.531 106 2HB LYS 10 1HB LYS 10 -3.504 0.863 -2.225 107 1HG LYS 10 2HG LYS 10 -0.900 -0.286 -2.019 108 2HG LYS 10 1HG LYS 10 -1.143 0.205 -3.695 109 1HD LYS 10 2HD LYS 10 -1.313 2.436 -3.163 110 2HD LYS 10 1HD LYS 10 -2.035 2.112 -1.587 111 1HE LYS 10 2HE LYS 10 0.137 1.426 -0.686 112 2HE LYS 10 1HE LYS 10 0.887 1.636 -2.279 113 1HZ LYS 10 1HZ LYS 10 0.295 3.610 -0.337 114 2HZ LYS 10 2HZ LYS 10 -0.558 3.950 -1.767 115 3HZ LYS 10 3HZ LYS 10 1.133 3.780 -1.801 116 H PHE 11 H PHE 11 -3.970 -3.479 -2.151 117 HA PHE 11 HA PHE 11 -6.700 -3.028 -2.742 118 1HB PHE 11 2HB PHE 11 -5.377 -5.045 -3.288 119 2HB PHE 11 1HB PHE 11 -5.272 -5.442 -1.573 120 HD1 PHE 11 HD1 PHE 11 -7.534 -5.180 -4.484 121 HD2 PHE 11 HD2 PHE 11 -7.176 -6.333 -0.363 122 HE1 PHE 11 HE1 PHE 11 -9.726 -6.333 -4.618 123 HE2 PHE 11 HE2 PHE 11 -9.368 -7.487 -0.496 124 HZ PHE 11 HZ PHE 11 -10.642 -7.487 -2.623 125 H LEU 12 H LEU 12 -5.107 -3.910 0.326 126 HA LEU 12 HA LEU 12 -7.495 -4.161 1.899 127 1HB LEU 12 2HB LEU 12 -4.769 -4.496 2.214 128 2HB LEU 12 1HB LEU 12 -5.093 -3.090 3.230 129 HG LEU 12 HG LEU 12 -7.166 -4.615 3.985 130 1HD1 LEU 12 1HD1 LEU 12 -6.513 -6.452 2.442 131 2HD1 LEU 12 2HD1 LEU 12 -6.481 -6.964 4.130 132 3HD1 LEU 12 3HD1 LEU 12 -4.973 -6.595 3.292 133 1HD2 LEU 12 1HD2 LEU 12 -4.442 -5.239 5.115 134 2HD2 LEU 12 2HD2 LEU 12 -5.966 -5.017 5.972 135 3HD2 LEU 12 3HD2 LEU 12 -5.134 -3.625 5.279 136 H HIS 13 H HIS 13 -5.401 -1.393 1.130 137 HA HIS 13 HA HIS 13 -6.930 0.461 2.806 138 1HB HIS 13 2HB HIS 13 -4.522 0.399 1.109 139 2HB HIS 13 1HB HIS 13 -5.385 1.937 1.058 140 HD1 HIS 13 HD1 HIS 13 -5.728 0.033 4.203 141 HD2 HIS 13 HD2 HIS 13 -3.208 2.999 2.708 142 HE1 HIS 13 HE1 HIS 13 -4.504 1.003 6.196 143 H SER 14 H SER 14 -7.175 -0.841 -0.378 144 HA SER 14 HA SER 14 -8.573 1.371 -1.632 145 1HB SER 14 2HB SER 14 -7.366 -0.966 -2.416 146 2HB SER 14 1HB SER 14 -9.068 -1.389 -2.558 147 HG SER 14 HG SER 14 -7.551 0.492 -3.942 148 H ALA 15 H ALA 15 -9.430 -1.010 0.652 149 HA ALA 15 HA ALA 15 -12.188 -1.462 0.051 150 1HB ALA 15 1HB ALA 15 -10.969 -2.816 1.641 151 2HB ALA 15 2HB ALA 15 -12.230 -1.976 2.544 152 3HB ALA 15 3HB ALA 15 -10.564 -1.401 2.614 153 H LYS 16 H LYS 16 -10.501 1.298 1.288 154 HA LYS 16 HA LYS 16 -12.305 2.667 2.891 155 1HB LYS 16 2HB LYS 16 -11.339 4.713 1.700 156 2HB LYS 16 1HB LYS 16 -10.154 3.575 2.339 157 1HG LYS 16 2HG LYS 16 -9.273 3.611 0.250 158 2HG LYS 16 1HG LYS 16 -10.621 2.561 -0.181 159 1HD LYS 16 2HD LYS 16 -11.971 4.519 -0.799 160 2HD LYS 16 1HD LYS 16 -10.646 5.590 -0.337 161 1HE LYS 16 2HE LYS 16 -9.247 4.787 -2.109 162 2HE LYS 16 1HE LYS 16 -10.332 3.423 -2.437 163 1HZ LYS 16 1HZ LYS 16 -10.633 6.236 -3.128 164 2HZ LYS 16 2HZ LYS 16 -12.041 5.443 -2.601 165 3HZ LYS 16 3HZ LYS 16 -11.183 4.857 -3.945 166 H LYS 17 H LYS 17 -12.630 1.924 -0.519 167 HA LYS 17 HA LYS 17 -14.566 3.857 -1.294 168 1HB LYS 17 2HB LYS 17 -13.506 2.490 -2.933 169 2HB LYS 17 1HB LYS 17 -13.948 1.005 -2.090 170 1HG LYS 17 2HG LYS 17 -15.983 0.931 -3.073 171 2HG LYS 17 1HG LYS 17 -16.273 2.646 -2.779 172 1HD LYS 17 2HD LYS 17 -15.430 3.281 -4.816 173 2HD LYS 17 1HD LYS 17 -14.239 1.978 -4.846 174 1HE LYS 17 2HE LYS 17 -15.676 1.101 -6.421 175 2HE LYS 17 1HE LYS 17 -16.552 0.533 -4.985 176 1HZ LYS 17 1HZ LYS 17 -17.969 1.837 -6.511 177 2HZ LYS 17 2HZ LYS 17 -16.960 3.182 -6.270 178 3HZ LYS 17 3HZ LYS 17 -17.847 2.539 -4.972 179 H PHE 18 H PHE 18 -15.139 0.484 -0.200 180 HA PHE 18 HA PHE 18 -17.950 1.250 0.464 181 1HB PHE 18 2HB PHE 18 -17.011 -0.760 -1.031 182 2HB PHE 18 1HB PHE 18 -16.904 -1.552 0.541 183 HD1 PHE 18 HD1 PHE 18 -18.803 -2.572 1.453 184 HD2 PHE 18 HD2 PHE 18 -19.273 0.458 -1.556 185 HE1 PHE 18 HE1 PHE 18 -21.246 -2.997 1.406 186 HE2 PHE 18 HE2 PHE 18 -21.715 0.032 -1.603 187 HZ PHE 18 HZ PHE 18 -22.703 -1.695 -0.122 188 1HN NH2 19 1HN NH2 19 -15.043 1.159 2.078 189 2HN NH2 19 2HN NH2 19 -15.573 0.668 3.614 Start of MODEL 16 1 1H LYS 1 1H LYS 1 17.124 -1.104 -3.829 2 2H LYS 1 2H LYS 1 16.916 -2.345 -4.971 3 3H LYS 1 3H LYS 1 16.495 -2.604 -3.346 4 HA LYS 1 HA LYS 1 14.934 -0.527 -3.817 5 1HB LYS 1 2HB LYS 1 15.965 -1.568 -6.372 6 2HB LYS 1 1HB LYS 1 14.206 -1.432 -6.325 7 1HG LYS 1 2HG LYS 1 14.248 0.863 -6.100 8 2HG LYS 1 1HG LYS 1 15.797 0.856 -5.254 9 1HD LYS 1 2HD LYS 1 16.891 0.181 -7.423 10 2HD LYS 1 1HD LYS 1 15.337 0.438 -8.219 11 1HE LYS 1 2HE LYS 1 15.801 2.647 -8.372 12 2HE LYS 1 1HE LYS 1 15.890 2.741 -6.601 13 1HZ LYS 1 1HZ LYS 1 18.049 3.207 -7.086 14 2HZ LYS 1 2HZ LYS 1 18.035 2.344 -8.550 15 3HZ LYS 1 3HZ LYS 1 18.164 1.515 -7.073 16 H TRP 2 H TRP 2 14.278 -2.199 -2.124 17 HA TRP 2 HA TRP 2 12.383 -4.185 -3.336 18 1HB TRP 2 2HB TRP 2 13.036 -5.715 -1.544 19 2HB TRP 2 1HB TRP 2 14.485 -5.169 -2.388 20 HD1 TRP 2 HD1 TRP 2 12.497 -4.534 0.838 21 HE1 TRP 2 HE1 TRP 2 14.091 -3.519 2.593 22 HE3 TRP 2 HE3 TRP 2 16.689 -3.937 -2.018 23 HZ2 TRP 2 HZ2 TRP 2 16.788 -2.579 2.761 24 HZ3 TRP 2 HZ3 TRP 2 18.753 -2.982 -1.038 25 HH2 TRP 2 HH2 TRP 2 18.809 -2.302 1.347 26 H LYS 3 H LYS 3 12.598 -1.389 -1.595 27 HA LYS 3 HA LYS 3 10.728 -1.936 0.570 28 1HB LYS 3 2HB LYS 3 12.547 0.028 -0.139 29 2HB LYS 3 1HB LYS 3 10.995 0.827 -0.391 30 1HG LYS 3 2HG LYS 3 11.443 1.252 1.879 31 2HG LYS 3 1HG LYS 3 10.372 -0.148 1.942 32 1HD LYS 3 2HD LYS 3 11.985 -1.464 2.822 33 2HD LYS 3 1HD LYS 3 13.180 -0.910 1.649 34 1HE LYS 3 2HE LYS 3 12.414 1.086 3.712 35 2HE LYS 3 1HE LYS 3 13.344 -0.311 4.292 36 1HZ LYS 3 1HZ LYS 3 14.510 1.772 3.164 37 2HZ LYS 3 2HZ LYS 3 14.165 0.883 1.758 38 3HZ LYS 3 3HZ LYS 3 15.113 0.196 2.989 39 H LEU 4 H LEU 4 10.280 -1.835 -2.720 40 HA LEU 4 HA LEU 4 7.812 -0.278 -2.848 41 1HB LEU 4 2HB LEU 4 9.277 -2.203 -4.667 42 2HB LEU 4 1HB LEU 4 7.760 -1.435 -5.139 43 HG LEU 4 HG LEU 4 9.458 0.594 -4.074 44 1HD1 LEU 4 1HD1 LEU 4 11.488 0.373 -5.172 45 2HD1 LEU 4 2HD1 LEU 4 10.815 -0.671 -6.424 46 3HD1 LEU 4 3HD1 LEU 4 11.149 -1.320 -4.819 47 1HD2 LEU 4 1HD2 LEU 4 7.760 1.061 -5.706 48 2HD2 LEU 4 2HD2 LEU 4 8.436 -0.110 -6.838 49 3HD2 LEU 4 3HD2 LEU 4 9.306 1.386 -6.492 50 H PHE 5 H PHE 5 8.536 -3.258 -1.528 51 HA PHE 5 HA PHE 5 6.192 -4.772 -2.370 52 1HB PHE 5 2HB PHE 5 8.184 -5.923 -1.692 53 2HB PHE 5 1HB PHE 5 8.281 -4.995 -0.194 54 HD1 PHE 5 HD1 PHE 5 5.556 -6.913 -1.929 55 HD2 PHE 5 HD2 PHE 5 7.816 -6.301 1.673 56 HE1 PHE 5 HE1 PHE 5 4.185 -8.628 -0.776 57 HE2 PHE 5 HE2 PHE 5 6.443 -8.015 2.825 58 HZ PHE 5 HZ PHE 5 4.628 -9.178 1.600 59 H LYS 6 H LYS 6 6.582 -2.123 -0.360 60 HA LYS 6 HA LYS 6 4.654 -2.881 1.716 61 1HB LYS 6 2HB LYS 6 6.739 -1.347 1.825 62 2HB LYS 6 1HB LYS 6 5.711 -0.130 1.067 63 1HG LYS 6 2HG LYS 6 4.905 0.363 3.104 64 2HG LYS 6 1HG LYS 6 4.163 -1.238 3.136 65 1HD LYS 6 2HD LYS 6 5.515 -1.736 4.869 66 2HD LYS 6 1HD LYS 6 6.865 -1.687 3.736 67 1HE LYS 6 2HE LYS 6 7.158 0.728 4.162 68 2HE LYS 6 1HE LYS 6 5.793 0.691 5.297 69 1HZ LYS 6 1HZ LYS 6 7.995 0.381 6.379 70 2HZ LYS 6 2HZ LYS 6 8.177 -1.068 5.511 71 3HZ LYS 6 3HZ LYS 6 6.919 -0.904 6.642 72 H LYS 7 H LYS 7 4.251 -2.054 -1.488 73 HA LYS 7 HA LYS 7 1.648 -0.680 -0.891 74 1HB LYS 7 2HB LYS 7 2.020 0.606 -2.935 75 2HB LYS 7 1HB LYS 7 3.432 0.761 -1.890 76 1HG LYS 7 2HG LYS 7 4.676 -0.824 -3.186 77 2HG LYS 7 1HG LYS 7 3.242 -1.307 -4.090 78 1HD LYS 7 2HD LYS 7 4.541 0.184 -5.490 79 2HD LYS 7 1HD LYS 7 3.090 1.044 -4.972 80 1HE LYS 7 2HE LYS 7 5.228 1.395 -3.031 81 2HE LYS 7 1HE LYS 7 5.736 1.927 -4.647 82 1HZ LYS 7 1HZ LYS 7 3.097 2.613 -3.481 83 2HZ LYS 7 2HZ LYS 7 3.830 3.279 -4.861 84 3HZ LYS 7 3HZ LYS 7 4.454 3.616 -3.318 85 H ILE 8 H ILE 8 3.370 -3.029 -2.908 86 HA ILE 8 HA ILE 8 1.453 -3.670 -4.833 87 HB ILE 8 HB ILE 8 3.584 -5.105 -3.314 88 1HG1 ILE 8 2HG1 ILE 8 3.969 -5.621 -5.938 89 2HG1 ILE 8 1HG1 ILE 8 2.994 -4.156 -6.067 90 1HG2 ILE 8 1HG2 ILE 8 2.415 -7.066 -3.388 91 2HG2 ILE 8 2HG2 ILE 8 2.850 -7.041 -5.097 92 3HG2 ILE 8 3HG2 ILE 8 1.271 -6.449 -4.580 93 1HD1 ILE 8 1HD1 ILE 8 5.591 -4.489 -4.543 94 2HD1 ILE 8 2HD1 ILE 8 4.564 -3.060 -4.426 95 3HD1 ILE 8 3HD1 ILE 8 5.313 -3.485 -5.965 96 HA PRO 9 HA PRO 9 -0.840 -6.516 -1.764 97 1HB PRO 9 2HB PRO 9 -0.027 -6.590 0.840 98 2HB PRO 9 1HB PRO 9 0.667 -7.638 -0.414 99 1HG PRO 9 2HG PRO 9 1.769 -5.168 0.809 100 2HG PRO 9 1HG PRO 9 2.603 -6.631 0.266 101 1HD PRO 9 2HD PRO 9 2.515 -4.264 -1.144 102 2HD PRO 9 1HD PRO 9 2.823 -5.863 -1.857 103 H LYS 10 H LYS 10 -0.462 -3.326 -1.692 104 HA LYS 10 HA LYS 10 -1.956 -2.613 0.731 105 1HB LYS 10 2HB LYS 10 -0.109 -1.301 -0.468 106 2HB LYS 10 1HB LYS 10 -1.319 -0.918 -1.694 107 1HG LYS 10 2HG LYS 10 -1.803 0.854 -0.356 108 2HG LYS 10 1HG LYS 10 -2.678 -0.331 0.615 109 1HD LYS 10 2HD LYS 10 -0.894 -0.571 2.145 110 2HD LYS 10 1HD LYS 10 0.268 0.158 1.037 111 1HE LYS 10 2HE LYS 10 -2.089 1.759 2.035 112 2HE LYS 10 1HE LYS 10 -0.603 1.632 2.997 113 1HZ LYS 10 1HZ LYS 10 0.599 2.180 0.857 114 2HZ LYS 10 2HZ LYS 10 -0.261 3.457 1.576 115 3HZ LYS 10 3HZ LYS 10 -0.905 2.646 0.229 116 H PHE 11 H PHE 11 -3.323 -4.431 -1.200 117 HA PHE 11 HA PHE 11 -5.291 -2.881 -2.675 118 1HB PHE 11 2HB PHE 11 -4.614 -5.150 -3.307 119 2HB PHE 11 1HB PHE 11 -5.168 -5.772 -1.752 120 HD1 PHE 11 HD1 PHE 11 -6.643 -3.380 -4.239 121 HD2 PHE 11 HD2 PHE 11 -7.114 -7.029 -2.024 122 HE1 PHE 11 HE1 PHE 11 -8.934 -3.638 -5.153 123 HE2 PHE 11 HE2 PHE 11 -9.405 -7.288 -2.938 124 HZ PHE 11 HZ PHE 11 -10.315 -5.592 -4.502 125 H LEU 12 H LEU 12 -5.008 -4.079 0.597 126 HA LEU 12 HA LEU 12 -7.795 -4.054 1.318 127 1HB LEU 12 2HB LEU 12 -5.499 -4.908 2.436 128 2HB LEU 12 1HB LEU 12 -5.663 -3.374 3.291 129 HG LEU 12 HG LEU 12 -8.001 -4.022 3.905 130 1HD1 LEU 12 1HD1 LEU 12 -7.189 -6.437 2.323 131 2HD1 LEU 12 2HD1 LEU 12 -8.730 -5.581 2.341 132 3HD1 LEU 12 3HD1 LEU 12 -8.294 -6.641 3.681 133 1HD2 LEU 12 1HD2 LEU 12 -5.537 -5.431 4.773 134 2HD2 LEU 12 2HD2 LEU 12 -7.056 -6.179 5.268 135 3HD2 LEU 12 3HD2 LEU 12 -6.703 -4.513 5.726 136 H HIS 13 H HIS 13 -5.598 -1.530 0.603 137 HA HIS 13 HA HIS 13 -6.678 0.509 2.373 138 1HB HIS 13 2HB HIS 13 -4.424 0.628 1.469 139 2HB HIS 13 1HB HIS 13 -5.042 0.556 -0.181 140 HD1 HIS 13 HD1 HIS 13 -6.616 2.648 -0.900 141 HD2 HIS 13 HD2 HIS 13 -4.274 3.203 2.505 142 HE1 HIS 13 HE1 HIS 13 -6.550 5.144 -0.474 143 H SER 14 H SER 14 -7.516 -0.744 -0.799 144 HA SER 14 HA SER 14 -9.158 1.518 -1.605 145 1HB SER 14 2HB SER 14 -8.008 -0.628 -2.823 146 2HB SER 14 1HB SER 14 -9.669 -1.198 -2.683 147 HG SER 14 HG SER 14 -10.319 0.336 -4.015 148 H ALA 15 H ALA 15 -9.572 -0.763 0.794 149 HA ALA 15 HA ALA 15 -12.343 -1.491 0.488 150 1HB ALA 15 1HB ALA 15 -12.084 -2.238 2.780 151 2HB ALA 15 2HB ALA 15 -10.704 -1.166 3.019 152 3HB ALA 15 3HB ALA 15 -10.566 -2.555 1.942 153 H LYS 16 H LYS 16 -10.759 1.424 1.468 154 HA LYS 16 HA LYS 16 -12.736 2.555 3.202 155 1HB LYS 16 2HB LYS 16 -10.294 3.255 1.861 156 2HB LYS 16 1HB LYS 16 -11.460 4.558 1.619 157 1HG LYS 16 2HG LYS 16 -11.585 3.599 4.345 158 2HG LYS 16 1HG LYS 16 -9.932 4.060 3.935 159 1HD LYS 16 2HD LYS 16 -10.533 6.272 3.438 160 2HD LYS 16 1HD LYS 16 -12.229 5.855 3.191 161 1HE LYS 16 2HE LYS 16 -11.416 5.157 5.887 162 2HE LYS 16 1HE LYS 16 -11.097 6.871 5.558 163 1HZ LYS 16 1HZ LYS 16 -13.402 6.729 4.393 164 2HZ LYS 16 2HZ LYS 16 -13.319 6.933 6.078 165 3HZ LYS 16 3HZ LYS 16 -13.638 5.399 5.418 166 H LYS 17 H LYS 17 -12.524 2.280 -0.300 167 HA LYS 17 HA LYS 17 -14.709 4.191 -0.780 168 1HB LYS 17 2HB LYS 17 -12.758 2.554 -2.303 169 2HB LYS 17 1HB LYS 17 -14.284 2.881 -3.126 170 1HG LYS 17 2HG LYS 17 -13.792 5.073 -3.407 171 2HG LYS 17 1HG LYS 17 -13.167 5.231 -1.765 172 1HD LYS 17 2HD LYS 17 -11.025 4.909 -2.426 173 2HD LYS 17 1HD LYS 17 -11.467 3.584 -3.504 174 1HE LYS 17 2HE LYS 17 -12.466 6.150 -4.486 175 2HE LYS 17 1HE LYS 17 -10.698 6.134 -4.322 176 1HZ LYS 17 1HZ LYS 17 -11.479 5.185 -6.455 177 2HZ LYS 17 2HZ LYS 17 -12.285 3.965 -5.590 178 3HZ LYS 17 3HZ LYS 17 -10.591 4.081 -5.524 179 H PHE 18 H PHE 18 -14.510 0.958 0.194 180 HA PHE 18 HA PHE 18 -17.289 0.439 -0.813 181 1HB PHE 18 2HB PHE 18 -15.210 -0.804 -1.826 182 2HB PHE 18 1HB PHE 18 -15.249 -1.720 -0.320 183 HD1 PHE 18 HD1 PHE 18 -17.519 -0.551 -3.064 184 HD2 PHE 18 HD2 PHE 18 -16.648 -3.590 -0.156 185 HE1 PHE 18 HE1 PHE 18 -19.373 -1.936 -3.956 186 HE2 PHE 18 HE2 PHE 18 -18.502 -4.976 -1.049 187 HZ PHE 18 HZ PHE 18 -19.865 -4.148 -2.949 188 1HN NH2 19 1HN NH2 19 -16.813 1.616 1.761 189 2HN NH2 19 2HN NH2 19 -17.152 0.466 2.962 Start of MODEL 17 1 1H LYS 1 1H LYS 1 16.531 2.065 -3.136 2 2H LYS 1 2H LYS 1 16.067 1.467 -1.617 3 3H LYS 1 3H LYS 1 17.699 1.433 -2.084 4 HA LYS 1 HA LYS 1 17.816 3.301 -0.831 5 1HB LYS 1 2HB LYS 1 17.485 3.637 -3.616 6 2HB LYS 1 1HB LYS 1 16.607 4.970 -2.863 7 1HG LYS 1 2HG LYS 1 18.598 5.995 -2.590 8 2HG LYS 1 1HG LYS 1 18.968 4.767 -1.378 9 1HD LYS 1 2HD LYS 1 20.756 4.792 -3.024 10 2HD LYS 1 1HD LYS 1 19.837 3.297 -3.212 11 1HE LYS 1 2HE LYS 1 18.879 3.978 -5.222 12 2HE LYS 1 1HE LYS 1 19.025 5.701 -4.823 13 1HZ LYS 1 1HZ LYS 1 21.088 3.835 -5.770 14 2HZ LYS 1 2HZ LYS 1 21.549 5.116 -4.754 15 3HZ LYS 1 3HZ LYS 1 20.793 5.437 -6.242 16 H TRP 2 H TRP 2 14.894 4.287 -2.616 17 HA TRP 2 HA TRP 2 13.424 4.428 -0.014 18 1HB TRP 2 2HB TRP 2 12.883 6.662 -1.841 19 2HB TRP 2 1HB TRP 2 13.248 6.693 -0.120 20 HD1 TRP 2 HD1 TRP 2 14.799 7.139 -3.519 21 HE1 TRP 2 HE1 TRP 2 17.262 7.851 -3.262 22 HE3 TRP 2 HE3 TRP 2 15.410 6.400 1.496 23 HZ2 TRP 2 HZ2 TRP 2 19.233 8.078 -1.201 24 HZ3 TRP 2 HZ3 TRP 2 17.587 6.871 2.579 25 HH2 TRP 2 HH2 TRP 2 19.499 7.709 1.240 26 H LYS 3 H LYS 3 13.326 4.123 -3.523 27 HA LYS 3 HA LYS 3 10.532 4.297 -3.954 28 1HB LYS 3 2HB LYS 3 11.130 2.784 -5.936 29 2HB LYS 3 1HB LYS 3 12.035 4.292 -5.801 30 1HG LYS 3 2HG LYS 3 13.457 2.422 -4.245 31 2HG LYS 3 1HG LYS 3 13.016 1.572 -5.726 32 1HD LYS 3 2HD LYS 3 14.342 2.886 -7.034 33 2HD LYS 3 1HD LYS 3 13.974 4.343 -6.112 34 1HE LYS 3 2HE LYS 3 16.161 4.074 -5.423 35 2HE LYS 3 1HE LYS 3 15.400 2.980 -4.254 36 1HZ LYS 3 1HZ LYS 3 15.862 1.831 -6.868 37 2HZ LYS 3 2HZ LYS 3 16.138 1.167 -5.328 38 3HZ LYS 3 3HZ LYS 3 17.280 2.218 -6.021 39 H LEU 4 H LEU 4 12.214 1.976 -2.129 40 HA LEU 4 HA LEU 4 10.668 -0.383 -2.666 41 1HB LEU 4 2HB LEU 4 11.675 -1.170 -0.617 42 2HB LEU 4 1HB LEU 4 12.867 -0.139 -1.410 43 HG LEU 4 HG LEU 4 11.198 1.520 0.217 44 1HD1 LEU 4 1HD1 LEU 4 11.530 0.576 2.412 45 2HD1 LEU 4 2HD1 LEU 4 12.489 -0.749 1.754 46 3HD1 LEU 4 3HD1 LEU 4 10.760 -0.661 1.418 47 1HD2 LEU 4 1HD2 LEU 4 13.229 2.406 0.770 48 2HD2 LEU 4 2HD2 LEU 4 13.817 1.375 -0.533 49 3HD2 LEU 4 3HD2 LEU 4 13.926 0.828 1.139 50 H PHE 5 H PHE 5 9.797 2.569 -1.277 51 HA PHE 5 HA PHE 5 7.832 1.607 0.647 52 1HB PHE 5 2HB PHE 5 9.031 3.773 0.776 53 2HB PHE 5 1HB PHE 5 8.256 4.277 -0.726 54 HD1 PHE 5 HD1 PHE 5 5.777 4.597 -0.810 55 HD2 PHE 5 HD2 PHE 5 7.856 3.815 2.867 56 HE1 PHE 5 HE1 PHE 5 3.806 5.387 0.473 57 HE2 PHE 5 HE2 PHE 5 5.887 4.606 4.150 58 HZ PHE 5 HZ PHE 5 3.862 5.392 2.952 59 H LYS 6 H LYS 6 7.914 1.598 -2.696 60 HA LYS 6 HA LYS 6 5.037 2.207 -3.079 61 1HB LYS 6 2HB LYS 6 7.493 1.879 -4.732 62 2HB LYS 6 1HB LYS 6 5.960 1.480 -5.509 63 1HG LYS 6 2HG LYS 6 5.612 3.907 -4.030 64 2HG LYS 6 1HG LYS 6 7.057 4.068 -5.029 65 1HD LYS 6 2HD LYS 6 5.522 4.651 -6.626 66 2HD LYS 6 1HD LYS 6 5.406 2.901 -6.819 67 1HE LYS 6 2HE LYS 6 3.597 3.073 -4.917 68 2HE LYS 6 1HE LYS 6 3.509 4.773 -5.420 69 1HZ LYS 6 1HZ LYS 6 3.044 2.348 -7.045 70 2HZ LYS 6 2HZ LYS 6 3.451 3.827 -7.774 71 3HZ LYS 6 3HZ LYS 6 2.034 3.695 -6.847 72 H LYS 7 H LYS 7 6.617 -0.443 -1.958 73 HA LYS 7 HA LYS 7 5.005 -2.367 -3.587 74 1HB LYS 7 2HB LYS 7 6.613 -4.011 -2.887 75 2HB LYS 7 1HB LYS 7 7.526 -2.577 -3.346 76 1HG LYS 7 2HG LYS 7 8.276 -2.234 -1.234 77 2HG LYS 7 1HG LYS 7 6.719 -2.624 -0.509 78 1HD LYS 7 2HD LYS 7 8.171 -4.363 0.204 79 2HD LYS 7 1HD LYS 7 7.241 -5.070 -1.119 80 1HE LYS 7 2HE LYS 7 9.431 -3.844 -2.382 81 2HE LYS 7 1HE LYS 7 10.112 -4.635 -0.947 82 1HZ LYS 7 1HZ LYS 7 9.891 -6.159 -2.858 83 2HZ LYS 7 2HZ LYS 7 8.209 -5.919 -2.835 84 3HZ LYS 7 3HZ LYS 7 8.985 -6.659 -1.515 85 H ILE 8 H ILE 8 4.502 -0.596 -0.942 86 HA ILE 8 HA ILE 8 3.839 -2.458 1.129 87 HB ILE 8 HB ILE 8 3.488 0.375 0.438 88 1HG1 ILE 8 2HG1 ILE 8 3.790 0.518 2.964 89 2HG1 ILE 8 1HG1 ILE 8 3.902 -1.242 2.961 90 1HG2 ILE 8 1HG2 ILE 8 1.647 0.739 2.113 91 2HG2 ILE 8 2HG2 ILE 8 1.365 -1.002 2.115 92 3HG2 ILE 8 3HG2 ILE 8 1.108 -0.069 0.640 93 1HD1 ILE 8 1HD1 ILE 8 6.142 -0.191 2.853 94 2HD1 ILE 8 2HD1 ILE 8 5.679 0.621 1.358 95 3HD1 ILE 8 3HD1 ILE 8 5.799 -1.138 1.405 96 HA PRO 9 HA PRO 9 0.207 -4.302 -0.488 97 1HB PRO 9 2HB PRO 9 -1.041 -4.987 1.849 98 2HB PRO 9 1HB PRO 9 0.389 -5.834 1.227 99 1HG PRO 9 2HG PRO 9 0.187 -3.789 3.374 100 2HG PRO 9 1HG PRO 9 1.228 -5.217 3.265 101 1HD PRO 9 2HD PRO 9 2.074 -2.661 2.758 102 2HD PRO 9 1HD PRO 9 2.830 -4.115 2.072 103 H LYS 10 H LYS 10 -0.675 -2.228 -1.339 104 HA LYS 10 HA LYS 10 -2.536 -0.738 0.423 105 1HB LYS 10 2HB LYS 10 -0.927 -0.231 -1.865 106 2HB LYS 10 1HB LYS 10 -2.604 -0.012 -2.370 107 1HG LYS 10 2HG LYS 10 -2.985 1.500 -0.458 108 2HG LYS 10 1HG LYS 10 -1.307 1.288 0.044 109 1HD LYS 10 2HD LYS 10 -0.640 2.133 -2.267 110 2HD LYS 10 1HD LYS 10 -2.329 2.591 -2.490 111 1HE LYS 10 2HE LYS 10 -1.385 4.571 -1.622 112 2HE LYS 10 1HE LYS 10 -2.011 3.791 -0.157 113 1HZ LYS 10 1HZ LYS 10 0.302 2.577 -0.299 114 2HZ LYS 10 2HZ LYS 10 0.145 4.084 0.470 115 3HZ LYS 10 3HZ LYS 10 0.748 3.994 -1.117 116 H PHE 11 H PHE 11 -2.888 -3.625 -0.633 117 HA PHE 11 HA PHE 11 -5.058 -3.638 -2.522 118 1HB PHE 11 2HB PHE 11 -3.836 -5.619 -2.324 119 2HB PHE 11 1HB PHE 11 -3.756 -5.511 -0.567 120 HD1 PHE 11 HD1 PHE 11 -6.802 -5.132 -2.680 121 HD2 PHE 11 HD2 PHE 11 -4.632 -7.628 0.060 122 HE1 PHE 11 HE1 PHE 11 -8.767 -6.635 -2.494 123 HE2 PHE 11 HE2 PHE 11 -6.594 -9.130 0.247 124 HZ PHE 11 HZ PHE 11 -8.663 -8.635 -1.029 125 H LEU 12 H LEU 12 -5.013 -4.052 1.034 126 HA LEU 12 HA LEU 12 -7.928 -4.001 1.201 127 1HB LEU 12 2HB LEU 12 -7.304 -3.811 3.718 128 2HB LEU 12 1HB LEU 12 -6.845 -5.277 2.859 129 HG LEU 12 HG LEU 12 -4.574 -4.620 2.717 130 1HD1 LEU 12 1HD1 LEU 12 -4.755 -2.357 1.954 131 2HD1 LEU 12 2HD1 LEU 12 -3.878 -2.287 3.483 132 3HD1 LEU 12 3HD1 LEU 12 -5.588 -1.858 3.426 133 1HD2 LEU 12 1HD2 LEU 12 -4.530 -5.230 4.901 134 2HD2 LEU 12 2HD2 LEU 12 -5.956 -4.269 5.290 135 3HD2 LEU 12 3HD2 LEU 12 -4.368 -3.506 5.226 136 H HIS 13 H HIS 13 -5.777 -1.590 0.548 137 HA HIS 13 HA HIS 13 -6.902 0.506 2.280 138 1HB HIS 13 2HB HIS 13 -4.511 0.144 1.144 139 2HB HIS 13 1HB HIS 13 -5.270 1.041 -0.171 140 HD1 HIS 13 HD1 HIS 13 -5.364 3.533 0.084 141 HD2 HIS 13 HD2 HIS 13 -4.657 1.626 3.724 142 HE1 HIS 13 HE1 HIS 13 -4.925 5.363 1.779 143 H SER 14 H SER 14 -7.549 -0.888 -0.841 144 HA SER 14 HA SER 14 -8.966 1.413 -1.936 145 1HB SER 14 2HB SER 14 -8.649 0.130 -3.772 146 2HB SER 14 1HB SER 14 -8.014 -1.154 -2.749 147 HG SER 14 HG SER 14 -9.798 -2.191 -3.092 148 H ALA 15 H ALA 15 -9.690 -1.005 0.347 149 HA ALA 15 HA ALA 15 -12.528 -1.299 -0.094 150 1HB ALA 15 1HB ALA 15 -10.620 -1.692 2.219 151 2HB ALA 15 2HB ALA 15 -11.391 -2.922 1.220 152 3HB ALA 15 3HB ALA 15 -12.346 -2.012 2.390 153 H LYS 16 H LYS 16 -10.599 1.267 1.106 154 HA LYS 16 HA LYS 16 -12.123 2.528 3.079 155 1HB LYS 16 2HB LYS 16 -9.962 3.087 1.443 156 2HB LYS 16 1HB LYS 16 -11.138 4.307 0.950 157 1HG LYS 16 2HG LYS 16 -10.461 3.761 3.850 158 2HG LYS 16 1HG LYS 16 -9.620 4.973 2.882 159 1HD LYS 16 2HD LYS 16 -11.650 6.208 2.517 160 2HD LYS 16 1HD LYS 16 -12.629 4.913 3.209 161 1HE LYS 16 2HE LYS 16 -12.482 6.167 5.126 162 2HE LYS 16 1HE LYS 16 -10.875 5.425 5.265 163 1HZ LYS 16 1HZ LYS 16 -11.256 7.785 3.545 164 2HZ LYS 16 2HZ LYS 16 -9.847 7.241 4.323 165 3HZ LYS 16 3HZ LYS 16 -11.075 7.998 5.218 166 H LYS 17 H LYS 17 -12.745 2.353 -0.406 167 HA LYS 17 HA LYS 17 -14.786 4.336 -0.607 168 1HB LYS 17 2HB LYS 17 -15.253 3.252 -2.698 169 2HB LYS 17 1HB LYS 17 -13.526 3.033 -2.417 170 1HG LYS 17 2HG LYS 17 -13.846 0.775 -1.663 171 2HG LYS 17 1HG LYS 17 -15.597 0.977 -1.606 172 1HD LYS 17 2HD LYS 17 -15.752 0.328 -3.749 173 2HD LYS 17 1HD LYS 17 -14.707 1.664 -4.237 174 1HE LYS 17 2HE LYS 17 -12.818 0.335 -4.309 175 2HE LYS 17 1HE LYS 17 -13.388 -0.720 -2.999 176 1HZ LYS 17 1HZ LYS 17 -15.060 -1.621 -4.475 177 2HZ LYS 17 2HZ LYS 17 -13.522 -1.823 -5.168 178 3HZ LYS 17 3HZ LYS 17 -14.557 -0.596 -5.730 179 H PHE 18 H PHE 18 -14.820 1.084 0.695 180 HA PHE 18 HA PHE 18 -17.789 1.295 1.081 181 1HB PHE 18 2HB PHE 18 -16.566 -0.553 -0.360 182 2HB PHE 18 1HB PHE 18 -16.233 -1.271 1.216 183 HD1 PHE 18 HD1 PHE 18 -17.797 -2.798 2.023 184 HD2 PHE 18 HD2 PHE 18 -19.102 0.360 -0.581 185 HE1 PHE 18 HE1 PHE 18 -20.109 -3.691 2.102 186 HE2 PHE 18 HE2 PHE 18 -21.415 -0.533 -0.502 187 HZ PHE 18 HZ PHE 18 -21.919 -2.558 0.838 188 1HN NH2 19 1HN NH2 19 -14.690 0.390 2.643 189 2HN NH2 19 2HN NH2 19 -15.289 0.419 4.232 Start of MODEL 18 1 1H LYS 1 1H LYS 1 8.280 4.327 -10.463 2 2H LYS 1 2H LYS 1 8.397 2.660 -10.157 3 3H LYS 1 3H LYS 1 9.782 3.642 -10.075 4 HA LYS 1 HA LYS 1 8.885 4.808 -8.153 5 1HB LYS 1 2HB LYS 1 6.553 3.176 -9.058 6 2HB LYS 1 1HB LYS 1 6.705 3.481 -7.328 7 1HG LYS 1 2HG LYS 1 5.535 5.377 -7.923 8 2HG LYS 1 1HG LYS 1 7.175 5.968 -8.196 9 1HD LYS 1 2HD LYS 1 6.767 6.226 -10.392 10 2HD LYS 1 1HD LYS 1 6.254 4.544 -10.529 11 1HE LYS 1 2HE LYS 1 4.536 6.925 -9.751 12 2HE LYS 1 1HE LYS 1 4.347 5.871 -11.167 13 1HZ LYS 1 1HZ LYS 1 4.393 4.058 -9.243 14 2HZ LYS 1 2HZ LYS 1 2.951 4.781 -9.778 15 3HZ LYS 1 3HZ LYS 1 3.715 5.345 -8.369 16 H TRP 2 H TRP 2 10.063 4.043 -6.443 17 HA TRP 2 HA TRP 2 10.176 1.076 -6.015 18 1HB TRP 2 2HB TRP 2 12.547 1.283 -5.687 19 2HB TRP 2 1HB TRP 2 12.170 2.182 -7.157 20 HD1 TRP 2 HD1 TRP 2 11.681 4.925 -6.686 21 HE1 TRP 2 HE1 TRP 2 13.026 6.511 -5.163 22 HE3 TRP 2 HE3 TRP 2 14.004 1.507 -3.687 23 HZ2 TRP 2 HZ2 TRP 2 14.849 6.351 -2.964 24 HZ3 TRP 2 HZ3 TRP 2 15.538 2.249 -1.889 25 HH2 TRP 2 HH2 TRP 2 15.964 4.665 -1.524 26 H LYS 3 H LYS 3 9.734 4.218 -4.641 27 HA LYS 3 HA LYS 3 10.450 3.550 -1.908 28 1HB LYS 3 2HB LYS 3 8.943 5.739 -3.329 29 2HB LYS 3 1HB LYS 3 9.015 5.699 -1.567 30 1HG LYS 3 2HG LYS 3 11.644 5.268 -2.254 31 2HG LYS 3 1HG LYS 3 11.114 6.385 -3.512 32 1HD LYS 3 2HD LYS 3 11.929 7.693 -1.643 33 2HD LYS 3 1HD LYS 3 10.174 7.862 -1.705 34 1HE LYS 3 2HE LYS 3 9.935 6.132 0.046 35 2HE LYS 3 1HE LYS 3 11.701 5.962 0.113 36 1HZ LYS 3 1HZ LYS 3 10.864 7.550 1.774 37 2HZ LYS 3 2HZ LYS 3 10.219 8.505 0.525 38 3HZ LYS 3 3HZ LYS 3 11.900 8.288 0.652 39 H LEU 4 H LEU 4 7.779 2.836 -3.903 40 HA LEU 4 HA LEU 4 5.811 2.599 -1.723 41 1HB LEU 4 2HB LEU 4 5.850 1.889 -4.672 42 2HB LEU 4 1HB LEU 4 4.433 1.688 -3.642 43 HG LEU 4 HG LEU 4 5.680 4.343 -3.428 44 1HD1 LEU 4 1HD1 LEU 4 4.690 3.269 -6.061 45 2HD1 LEU 4 2HD1 LEU 4 6.108 4.266 -5.737 46 3HD1 LEU 4 3HD1 LEU 4 4.495 4.976 -5.665 47 1HD2 LEU 4 1HD2 LEU 4 3.007 4.523 -4.244 48 2HD2 LEU 4 2HD2 LEU 4 3.596 4.571 -2.582 49 3HD2 LEU 4 3HD2 LEU 4 3.076 3.041 -3.289 50 H PHE 5 H PHE 5 8.429 0.784 -2.635 51 HA PHE 5 HA PHE 5 7.434 -1.894 -2.727 52 1HB PHE 5 2HB PHE 5 9.932 -0.435 -2.570 53 2HB PHE 5 1HB PHE 5 9.992 -1.879 -1.559 54 HD1 PHE 5 HD1 PHE 5 10.851 -3.761 -2.622 55 HD2 PHE 5 HD2 PHE 5 8.535 -0.948 -4.895 56 HE1 PHE 5 HE1 PHE 5 11.140 -5.162 -4.649 57 HE2 PHE 5 HE2 PHE 5 8.823 -2.348 -6.921 58 HZ PHE 5 HZ PHE 5 10.125 -4.455 -6.800 59 H LYS 6 H LYS 6 7.919 0.315 -0.127 60 HA LYS 6 HA LYS 6 7.993 -1.698 1.998 61 1HB LYS 6 2HB LYS 6 8.194 1.210 1.633 62 2HB LYS 6 1HB LYS 6 7.361 0.753 3.119 63 1HG LYS 6 2HG LYS 6 9.314 0.181 4.077 64 2HG LYS 6 1HG LYS 6 9.653 -0.948 2.765 65 1HD LYS 6 2HD LYS 6 11.174 0.449 1.869 66 2HD LYS 6 1HD LYS 6 10.019 1.783 1.870 67 1HE LYS 6 2HE LYS 6 10.682 2.530 3.992 68 2HE LYS 6 1HE LYS 6 11.341 0.946 4.449 69 1HZ LYS 6 1HZ LYS 6 12.879 1.302 2.445 70 2HZ LYS 6 2HZ LYS 6 13.225 2.148 3.877 71 3HZ LYS 6 3HZ LYS 6 12.462 2.939 2.582 72 H LYS 7 H LYS 7 5.539 -0.462 0.035 73 HA LYS 7 HA LYS 7 3.462 -1.484 1.900 74 1HB LYS 7 2HB LYS 7 2.188 0.620 1.633 75 2HB LYS 7 1HB LYS 7 3.754 0.906 2.393 76 1HG LYS 7 2HG LYS 7 4.644 1.404 0.050 77 2HG LYS 7 1HG LYS 7 2.961 1.437 -0.477 78 1HD LYS 7 2HD LYS 7 3.390 3.691 0.026 79 2HD LYS 7 1HD LYS 7 2.620 3.101 1.500 80 1HE LYS 7 2HE LYS 7 4.542 3.305 2.731 81 2HE LYS 7 1HE LYS 7 5.573 2.775 1.385 82 1HZ LYS 7 1HZ LYS 7 4.151 5.381 1.446 83 2HZ LYS 7 2HZ LYS 7 5.314 4.870 0.318 84 3HZ LYS 7 3HZ LYS 7 5.767 5.189 1.924 85 H ILE 8 H ILE 8 4.421 -2.575 -0.532 86 HA ILE 8 HA ILE 8 2.908 -1.833 -2.843 87 HB ILE 8 HB ILE 8 4.108 -4.485 -1.991 88 1HG1 ILE 8 2HG1 ILE 8 5.369 -2.533 -3.887 89 2HG1 ILE 8 1HG1 ILE 8 5.500 -2.241 -2.152 90 1HG2 ILE 8 1HG2 ILE 8 4.309 -4.301 -4.724 91 2HG2 ILE 8 2HG2 ILE 8 2.734 -3.561 -4.426 92 3HG2 ILE 8 3HG2 ILE 8 3.057 -5.205 -3.870 93 1HD1 ILE 8 1HD1 ILE 8 6.885 -4.026 -1.822 94 2HD1 ILE 8 2HD1 ILE 8 7.235 -3.807 -3.536 95 3HD1 ILE 8 3HD1 ILE 8 6.058 -5.017 -3.024 96 HA PRO 9 HA PRO 9 -0.159 -5.279 -1.510 97 1HB PRO 9 2HB PRO 9 -0.180 -6.001 1.130 98 2HB PRO 9 1HB PRO 9 0.811 -6.824 -0.092 99 1HG PRO 9 2HG PRO 9 1.598 -4.785 1.924 100 2HG PRO 9 1HG PRO 9 2.482 -6.207 1.351 101 1HD PRO 9 2HD PRO 9 3.009 -3.665 0.527 102 2HD PRO 9 1HD PRO 9 3.341 -5.107 -0.454 103 H LYS 10 H LYS 10 -0.555 -2.582 -1.564 104 HA LYS 10 HA LYS 10 -2.046 -1.753 0.863 105 1HB LYS 10 2HB LYS 10 -0.491 -0.496 -1.072 106 2HB LYS 10 1HB LYS 10 -2.137 -0.059 -1.534 107 1HG LYS 10 2HG LYS 10 -2.586 0.778 0.715 108 2HG LYS 10 1HG LYS 10 -0.990 0.257 1.256 109 1HD LYS 10 2HD LYS 10 0.112 1.925 0.061 110 2HD LYS 10 1HD LYS 10 -1.204 2.102 -1.100 111 1HE LYS 10 2HE LYS 10 -2.082 3.785 0.131 112 2HE LYS 10 1HE LYS 10 -2.190 2.713 1.542 113 1HZ LYS 10 1HZ LYS 10 0.105 3.114 2.040 114 2HZ LYS 10 2HZ LYS 10 -0.672 4.618 1.890 115 3HZ LYS 10 3HZ LYS 10 0.309 4.036 0.631 116 H PHE 11 H PHE 11 -2.863 -3.966 -1.078 117 HA PHE 11 HA PHE 11 -5.062 -3.166 -2.687 118 1HB PHE 11 2HB PHE 11 -5.166 -5.434 -3.044 119 2HB PHE 11 1HB PHE 11 -3.630 -5.422 -2.181 120 HD1 PHE 11 HD1 PHE 11 -7.108 -6.460 -2.104 121 HD2 PHE 11 HD2 PHE 11 -3.597 -5.884 0.300 122 HE1 PHE 11 HE1 PHE 11 -8.094 -7.880 -0.325 123 HE2 PHE 11 HE2 PHE 11 -4.581 -7.303 2.079 124 HZ PHE 11 HZ PHE 11 -6.831 -8.301 1.766 125 H LEU 12 H LEU 12 -4.855 -3.914 0.763 126 HA LEU 12 HA LEU 12 -7.715 -3.978 1.212 127 1HB LEU 12 2HB LEU 12 -6.938 -3.732 3.635 128 2HB LEU 12 1HB LEU 12 -6.289 -5.110 2.755 129 HG LEU 12 HG LEU 12 -4.176 -3.953 2.396 130 1HD1 LEU 12 1HD1 LEU 12 -3.960 -1.680 3.684 131 2HD1 LEU 12 2HD1 LEU 12 -5.710 -1.610 3.489 132 3HD1 LEU 12 3HD1 LEU 12 -4.668 -1.687 2.070 133 1HD2 LEU 12 1HD2 LEU 12 -3.663 -3.400 4.902 134 2HD2 LEU 12 2HD2 LEU 12 -4.102 -5.050 4.458 135 3HD2 LEU 12 3HD2 LEU 12 -5.306 -3.983 5.178 136 H HIS 13 H HIS 13 -5.801 -1.428 0.303 137 HA HIS 13 HA HIS 13 -6.825 0.638 2.084 138 1HB HIS 13 2HB HIS 13 -5.384 2.003 0.859 139 2HB HIS 13 1HB HIS 13 -4.661 0.426 0.559 140 HD1 HIS 13 HD1 HIS 13 -5.677 3.332 -1.220 141 HD2 HIS 13 HD2 HIS 13 -5.997 -0.755 -1.976 142 HE1 HIS 13 HE1 HIS 13 -6.086 3.094 -3.708 143 H SER 14 H SER 14 -7.794 -0.740 -1.019 144 HA SER 14 HA SER 14 -9.638 1.335 -1.780 145 1HB SER 14 2HB SER 14 -8.797 -1.337 -2.603 146 2HB SER 14 1HB SER 14 -10.517 -1.072 -2.877 147 HG SER 14 HG SER 14 -8.305 0.413 -3.835 148 H ALA 15 H ALA 15 -9.769 -1.045 0.654 149 HA ALA 15 HA ALA 15 -12.519 -1.738 0.756 150 1HB ALA 15 1HB ALA 15 -11.967 -2.523 2.891 151 2HB ALA 15 2HB ALA 15 -10.899 -1.158 3.222 152 3HB ALA 15 3HB ALA 15 -10.378 -2.441 2.130 153 H LYS 16 H LYS 16 -10.831 1.190 1.780 154 HA LYS 16 HA LYS 16 -12.920 2.353 3.360 155 1HB LYS 16 2HB LYS 16 -10.314 2.918 2.550 156 2HB LYS 16 1HB LYS 16 -11.263 4.210 1.816 157 1HG LYS 16 2HG LYS 16 -12.395 4.283 4.218 158 2HG LYS 16 1HG LYS 16 -10.864 3.561 4.710 159 1HD LYS 16 2HD LYS 16 -9.641 5.411 3.622 160 2HD LYS 16 1HD LYS 16 -11.175 6.140 3.144 161 1HE LYS 16 2HE LYS 16 -11.112 7.246 5.130 162 2HE LYS 16 1HE LYS 16 -11.453 5.683 5.900 163 1HZ LYS 16 1HZ LYS 16 -9.271 6.965 6.480 164 2HZ LYS 16 2HZ LYS 16 -8.711 6.281 5.029 165 3HZ LYS 16 3HZ LYS 16 -9.245 5.279 6.293 166 H LYS 17 H LYS 17 -12.090 2.725 -0.102 167 HA LYS 17 HA LYS 17 -14.470 4.389 -0.588 168 1HB LYS 17 2HB LYS 17 -13.534 4.493 -2.843 169 2HB LYS 17 1HB LYS 17 -12.232 4.703 -1.672 170 1HG LYS 17 2HG LYS 17 -11.701 2.277 -1.869 171 2HG LYS 17 1HG LYS 17 -12.948 2.129 -3.107 172 1HD LYS 17 2HD LYS 17 -10.903 2.415 -4.301 173 2HD LYS 17 1HD LYS 17 -11.708 3.983 -4.367 174 1HE LYS 17 2HE LYS 17 -10.330 4.397 -2.118 175 2HE LYS 17 1HE LYS 17 -9.260 3.181 -2.845 176 1HZ LYS 17 1HZ LYS 17 -10.314 5.552 -4.290 177 2HZ LYS 17 2HZ LYS 17 -9.165 4.437 -4.859 178 3HZ LYS 17 3HZ LYS 17 -8.775 5.487 -3.581 179 H PHE 18 H PHE 18 -14.209 1.202 -0.005 180 HA PHE 18 HA PHE 18 -16.343 0.499 -1.994 181 1HB PHE 18 2HB PHE 18 -14.036 -0.434 -2.456 182 2HB PHE 18 1HB PHE 18 -14.152 -1.306 -0.927 183 HD1 PHE 18 HD1 PHE 18 -16.800 -0.611 -3.471 184 HD2 PHE 18 HD2 PHE 18 -14.373 -3.574 -1.527 185 HE1 PHE 18 HE1 PHE 18 -18.093 -2.406 -4.590 186 HE2 PHE 18 HE2 PHE 18 -15.666 -5.369 -2.645 187 HZ PHE 18 HZ PHE 18 -17.528 -4.785 -4.176 188 1HN NH2 19 1HN NH2 19 -16.363 1.338 0.998 189 2HN NH2 19 2HN NH2 19 -17.197 0.079 1.773 Start of MODEL 19 1 1H LYS 1 1H LYS 1 13.062 2.296 0.924 2 2H LYS 1 2H LYS 1 12.301 1.905 2.393 3 3H LYS 1 3H LYS 1 11.836 3.295 1.534 4 HA LYS 1 HA LYS 1 11.601 0.644 0.261 5 1HB LYS 1 2HB LYS 1 9.266 0.642 1.277 6 2HB LYS 1 1HB LYS 1 10.577 0.349 2.419 7 1HG LYS 1 2HG LYS 1 10.523 2.668 3.154 8 2HG LYS 1 1HG LYS 1 9.320 3.063 1.925 9 1HD LYS 1 2HD LYS 1 7.643 2.364 3.256 10 2HD LYS 1 1HD LYS 1 8.430 0.805 3.499 11 1HE LYS 1 2HE LYS 1 9.255 3.311 5.001 12 2HE LYS 1 1HE LYS 1 8.083 2.140 5.634 13 1HZ LYS 1 1HZ LYS 1 9.990 1.186 6.395 14 2HZ LYS 1 2HZ LYS 1 10.950 1.815 5.143 15 3HZ LYS 1 3HZ LYS 1 9.951 0.470 4.857 16 H TRP 2 H TRP 2 11.132 1.191 -1.823 17 HA TRP 2 HA TRP 2 9.223 3.425 -2.321 18 1HB TRP 2 2HB TRP 2 10.851 4.074 -4.212 19 2HB TRP 2 1HB TRP 2 11.351 4.447 -2.565 20 HD1 TRP 2 HD1 TRP 2 11.510 0.873 -3.893 21 HE1 TRP 2 HE1 TRP 2 13.976 0.146 -4.029 22 HE3 TRP 2 HE3 TRP 2 13.801 5.319 -2.857 23 HZ2 TRP 2 HZ2 TRP 2 16.580 1.297 -3.745 24 HZ3 TRP 2 HZ3 TRP 2 16.273 5.474 -2.798 25 HH2 TRP 2 HH2 TRP 2 17.665 3.470 -3.239 26 H LYS 3 H LYS 3 10.654 2.552 -5.203 27 HA LYS 3 HA LYS 3 8.463 1.502 -6.489 28 1HB LYS 3 2HB LYS 3 11.410 0.909 -6.796 29 2HB LYS 3 1HB LYS 3 10.204 0.431 -7.991 30 1HG LYS 3 2HG LYS 3 9.547 2.746 -8.334 31 2HG LYS 3 1HG LYS 3 10.603 3.278 -7.027 32 1HD LYS 3 2HD LYS 3 11.392 2.161 -9.723 33 2HD LYS 3 1HD LYS 3 11.825 3.719 -9.021 34 1HE LYS 3 2HE LYS 3 12.871 2.127 -7.122 35 2HE LYS 3 1HE LYS 3 13.001 1.028 -8.508 36 1HZ LYS 3 1HZ LYS 3 14.820 2.857 -8.069 37 2HZ LYS 3 2HZ LYS 3 13.713 3.843 -8.899 38 3HZ LYS 3 3HZ LYS 3 14.348 2.455 -9.647 39 H LEU 4 H LEU 4 10.851 -0.973 -6.433 40 HA LEU 4 HA LEU 4 9.192 -3.157 -6.250 41 1HB LEU 4 2HB LEU 4 11.167 -4.388 -5.655 42 2HB LEU 4 1HB LEU 4 11.686 -3.026 -6.650 43 HG LEU 4 HG LEU 4 11.732 -1.915 -4.148 44 1HD1 LEU 4 1HD1 LEU 4 13.249 -4.211 -3.360 45 2HD1 LEU 4 2HD1 LEU 4 11.618 -4.741 -3.774 46 3HD1 LEU 4 3HD1 LEU 4 11.855 -3.493 -2.551 47 1HD2 LEU 4 1HD2 LEU 4 13.480 -2.206 -6.137 48 2HD2 LEU 4 2HD2 LEU 4 14.142 -3.440 -5.063 49 3HD2 LEU 4 3HD2 LEU 4 14.018 -1.768 -4.515 50 H PHE 5 H PHE 5 9.913 -1.025 -3.615 51 HA PHE 5 HA PHE 5 9.194 -2.937 -1.515 52 1HB PHE 5 2HB PHE 5 10.442 -0.435 -1.777 53 2HB PHE 5 1HB PHE 5 8.991 -0.128 -0.825 54 HD1 PHE 5 HD1 PHE 5 8.599 -1.439 1.295 55 HD2 PHE 5 HD2 PHE 5 12.292 -1.655 -0.890 56 HE1 PHE 5 HE1 PHE 5 9.718 -2.426 3.278 57 HE2 PHE 5 HE2 PHE 5 13.407 -2.641 1.090 58 HZ PHE 5 HZ PHE 5 12.122 -3.027 3.175 59 H LYS 6 H LYS 6 7.544 -0.969 -3.732 60 HA LYS 6 HA LYS 6 5.137 -0.451 -2.177 61 1HB LYS 6 2HB LYS 6 5.782 1.042 -3.937 62 2HB LYS 6 1HB LYS 6 5.974 -0.280 -5.083 63 1HG LYS 6 2HG LYS 6 3.373 -0.631 -4.423 64 2HG LYS 6 1HG LYS 6 3.509 1.109 -4.187 65 1HD LYS 6 2HD LYS 6 2.867 0.717 -6.486 66 2HD LYS 6 1HD LYS 6 4.543 1.266 -6.474 67 1HE LYS 6 2HE LYS 6 5.192 -1.233 -6.453 68 2HE LYS 6 1HE LYS 6 3.505 -1.544 -6.906 69 1HZ LYS 6 1HZ LYS 6 4.921 -1.224 -8.863 70 2HZ LYS 6 2HZ LYS 6 5.340 0.327 -8.309 71 3HZ LYS 6 3HZ LYS 6 3.734 -0.016 -8.746 72 H LYS 7 H LYS 7 6.396 -3.173 -3.894 73 HA LYS 7 HA LYS 7 4.212 -4.464 -5.022 74 1HB LYS 7 2HB LYS 7 5.466 -6.445 -4.712 75 2HB LYS 7 1HB LYS 7 6.687 -5.177 -4.671 76 1HG LYS 7 2HG LYS 7 6.946 -5.330 -2.334 77 2HG LYS 7 1HG LYS 7 5.394 -6.137 -2.118 78 1HD LYS 7 2HD LYS 7 7.399 -7.659 -1.903 79 2HD LYS 7 1HD LYS 7 6.218 -8.169 -3.108 80 1HE LYS 7 2HE LYS 7 8.255 -6.346 -4.200 81 2HE LYS 7 1HE LYS 7 8.921 -7.876 -3.596 82 1HZ LYS 7 1HZ LYS 7 7.733 -7.624 -5.982 83 2HZ LYS 7 2HZ LYS 7 6.407 -8.091 -5.026 84 3HZ LYS 7 3HZ LYS 7 7.791 -9.075 -5.107 85 H ILE 8 H ILE 8 4.697 -3.727 -1.644 86 HA ILE 8 HA ILE 8 3.198 -5.551 -0.215 87 HB ILE 8 HB ILE 8 4.334 -3.383 0.500 88 1HG1 ILE 8 2HG1 ILE 8 2.417 -2.885 2.231 89 2HG1 ILE 8 1HG1 ILE 8 1.646 -4.289 1.496 90 1HG2 ILE 8 1HG2 ILE 8 1.637 -2.210 -0.242 91 2HG2 ILE 8 2HG2 ILE 8 3.114 -1.975 -1.178 92 3HG2 ILE 8 3HG2 ILE 8 3.003 -1.348 0.467 93 1HD1 ILE 8 1HD1 ILE 8 3.871 -5.513 1.867 94 2HD1 ILE 8 2HD1 ILE 8 2.921 -5.160 3.311 95 3HD1 ILE 8 3HD1 ILE 8 4.316 -4.157 2.904 96 HA PRO 9 HA PRO 9 -0.795 -5.595 -2.107 97 1HB PRO 9 2HB PRO 9 -2.212 -6.588 0.024 98 2HB PRO 9 1HB PRO 9 -1.173 -7.590 -1.011 99 1HG PRO 9 2HG PRO 9 -0.577 -6.375 1.652 100 2HG PRO 9 1HG PRO 9 -0.214 -8.003 1.052 101 1HD PRO 9 2HD PRO 9 1.668 -6.093 1.129 102 2HD PRO 9 1HD PRO 9 1.609 -7.287 -0.188 103 H LYS 10 H LYS 10 -1.018 -3.276 -2.243 104 HA LYS 10 HA LYS 10 -2.046 -1.748 0.050 105 1HB LYS 10 2HB LYS 10 -0.645 -1.239 -2.289 106 2HB LYS 10 1HB LYS 10 -2.255 -0.624 -2.665 107 1HG LYS 10 2HG LYS 10 -2.221 0.909 -0.875 108 2HG LYS 10 1HG LYS 10 -0.910 0.061 -0.057 109 1HD LYS 10 2HD LYS 10 -0.053 2.108 -1.099 110 2HD LYS 10 1HD LYS 10 0.628 0.693 -1.901 111 1HE LYS 10 2HE LYS 10 -1.682 1.118 -3.359 112 2HE LYS 10 1HE LYS 10 -1.151 2.771 -2.988 113 1HZ LYS 10 1HZ LYS 10 0.872 0.796 -3.763 114 2HZ LYS 10 2HZ LYS 10 0.849 2.474 -4.020 115 3HZ LYS 10 3HZ LYS 10 -0.104 1.451 -4.985 116 H PHE 11 H PHE 11 -3.437 -4.060 -1.735 117 HA PHE 11 HA PHE 11 -5.826 -2.967 -2.836 118 1HB PHE 11 2HB PHE 11 -4.572 -5.330 -2.829 119 2HB PHE 11 1HB PHE 11 -5.744 -5.666 -1.555 120 HD1 PHE 11 HD1 PHE 11 -7.829 -3.634 -2.792 121 HD2 PHE 11 HD2 PHE 11 -5.609 -6.964 -4.351 122 HE1 PHE 11 HE1 PHE 11 -9.582 -4.000 -4.508 123 HE2 PHE 11 HE2 PHE 11 -7.361 -7.328 -6.069 124 HZ PHE 11 HZ PHE 11 -9.348 -5.845 -6.146 125 H LEU 12 H LEU 12 -5.072 -4.194 0.423 126 HA LEU 12 HA LEU 12 -7.692 -4.135 1.514 127 1HB LEU 12 2HB LEU 12 -4.995 -3.585 2.792 128 2HB LEU 12 1HB LEU 12 -6.456 -4.061 3.659 129 HG LEU 12 HG LEU 12 -6.253 -5.976 1.660 130 1HD1 LEU 12 1HD1 LEU 12 -3.621 -4.835 2.213 131 2HD1 LEU 12 2HD1 LEU 12 -4.108 -5.965 0.950 132 3HD1 LEU 12 3HD1 LEU 12 -3.683 -6.564 2.552 133 1HD2 LEU 12 1HD2 LEU 12 -5.391 -7.412 3.607 134 2HD2 LEU 12 2HD2 LEU 12 -6.903 -6.548 3.885 135 3HD2 LEU 12 3HD2 LEU 12 -5.397 -5.930 4.563 136 H HIS 13 H HIS 13 -5.508 -1.511 0.738 137 HA HIS 13 HA HIS 13 -6.708 0.447 2.524 138 1HB HIS 13 2HB HIS 13 -4.394 0.352 1.278 139 2HB HIS 13 1HB HIS 13 -5.290 1.102 -0.047 140 HD1 HIS 13 HD1 HIS 13 -3.084 2.644 1.586 141 HD2 HIS 13 HD2 HIS 13 -7.182 2.855 2.326 142 HE1 HIS 13 HE1 HIS 13 -3.480 4.827 2.812 143 H SER 14 H SER 14 -7.386 -0.703 -0.742 144 HA SER 14 HA SER 14 -9.068 1.485 -1.569 145 1HB SER 14 2HB SER 14 -9.716 -1.187 -2.600 146 2HB SER 14 1HB SER 14 -9.148 0.234 -3.467 147 HG SER 14 HG SER 14 -7.732 -1.768 -3.188 148 H ALA 15 H ALA 15 -9.492 -0.817 0.846 149 HA ALA 15 HA ALA 15 -12.213 -1.571 0.692 150 1HB ALA 15 1HB ALA 15 -10.183 -2.070 2.340 151 2HB ALA 15 2HB ALA 15 -11.849 -2.254 2.887 152 3HB ALA 15 3HB ALA 15 -10.944 -0.797 3.296 153 H LYS 16 H LYS 16 -10.725 1.452 1.815 154 HA LYS 16 HA LYS 16 -12.837 2.717 3.135 155 1HB LYS 16 2HB LYS 16 -10.378 3.369 1.878 156 2HB LYS 16 1HB LYS 16 -11.569 4.514 1.262 157 1HG LYS 16 2HG LYS 16 -10.953 3.943 4.176 158 2HG LYS 16 1HG LYS 16 -10.580 5.424 3.292 159 1HD LYS 16 2HD LYS 16 -13.346 4.923 2.911 160 2HD LYS 16 1HD LYS 16 -13.021 4.710 4.632 161 1HE LYS 16 2HE LYS 16 -11.553 7.005 3.817 162 2HE LYS 16 1HE LYS 16 -13.190 7.172 3.155 163 1HZ LYS 16 1HZ LYS 16 -12.604 6.351 5.947 164 2HZ LYS 16 2HZ LYS 16 -14.129 6.701 5.284 165 3HZ LYS 16 3HZ LYS 16 -12.984 7.940 5.493 166 H LYS 17 H LYS 17 -12.306 2.506 -0.395 167 HA LYS 17 HA LYS 17 -14.534 4.076 -1.225 168 1HB LYS 17 2HB LYS 17 -12.438 2.759 -2.376 169 2HB LYS 17 1HB LYS 17 -13.777 1.708 -2.839 170 1HG LYS 17 2HG LYS 17 -13.398 3.476 -4.529 171 2HG LYS 17 1HG LYS 17 -14.986 3.637 -3.775 172 1HD LYS 17 2HD LYS 17 -14.474 5.698 -3.044 173 2HD LYS 17 1HD LYS 17 -13.042 5.080 -2.218 174 1HE LYS 17 2HE LYS 17 -11.771 5.204 -4.356 175 2HE LYS 17 1HE LYS 17 -13.204 5.897 -5.143 176 1HZ LYS 17 1HZ LYS 17 -13.073 7.399 -2.959 177 2HZ LYS 17 2HZ LYS 17 -12.308 7.824 -4.415 178 3HZ LYS 17 3HZ LYS 17 -11.421 7.081 -3.171 179 H PHE 18 H PHE 18 -14.270 0.591 -0.499 180 HA PHE 18 HA PHE 18 -17.150 0.195 -1.086 181 1HB PHE 18 2HB PHE 18 -14.749 -1.321 -1.176 182 2HB PHE 18 1HB PHE 18 -15.780 -2.082 0.038 183 HD1 PHE 18 HD1 PHE 18 -14.940 -2.634 -3.129 184 HD2 PHE 18 HD2 PHE 18 -18.473 -1.548 -0.941 185 HE1 PHE 18 HE1 PHE 18 -16.350 -3.607 -4.922 186 HE2 PHE 18 HE2 PHE 18 -19.882 -2.519 -2.732 187 HZ PHE 18 HZ PHE 18 -18.822 -3.550 -4.723 188 1HN NH2 19 1HN NH2 19 -15.920 1.701 1.419 189 2HN NH2 19 2HN NH2 19 -16.730 0.981 2.724 Start of MODEL 20 1 1H LYS 1 1H LYS 1 16.709 -6.424 1.642 2 2H LYS 1 2H LYS 1 16.218 -7.730 2.610 3 3H LYS 1 3H LYS 1 15.298 -6.301 2.575 4 HA LYS 1 HA LYS 1 15.629 -7.375 -0.055 5 1HB LYS 1 2HB LYS 1 15.761 -9.359 1.676 6 2HB LYS 1 1HB LYS 1 14.026 -9.082 1.837 7 1HG LYS 1 2HG LYS 1 13.683 -10.243 -0.056 8 2HG LYS 1 1HG LYS 1 14.619 -9.038 -0.941 9 1HD LYS 1 2HD LYS 1 15.825 -11.394 0.539 10 2HD LYS 1 1HD LYS 1 15.532 -11.351 -1.199 11 1HE LYS 1 2HE LYS 1 17.280 -9.369 0.303 12 2HE LYS 1 1HE LYS 1 17.882 -10.726 -0.672 13 1HZ LYS 1 1HZ LYS 1 17.807 -8.930 -2.152 14 2HZ LYS 1 2HZ LYS 1 16.310 -8.381 -1.565 15 3HZ LYS 1 3HZ LYS 1 16.393 -9.804 -2.489 16 H TRP 2 H TRP 2 14.024 -6.258 -1.108 17 HA TRP 2 HA TRP 2 11.460 -5.768 0.348 18 1HB TRP 2 2HB TRP 2 11.634 -3.421 -0.771 19 2HB TRP 2 1HB TRP 2 12.602 -3.734 0.667 20 HD1 TRP 2 HD1 TRP 2 13.096 -4.240 -3.157 21 HE1 TRP 2 HE1 TRP 2 15.499 -3.511 -3.743 22 HE3 TRP 2 HE3 TRP 2 14.765 -2.900 1.478 23 HZ2 TRP 2 HZ2 TRP 2 17.821 -2.494 -2.420 24 HZ3 TRP 2 HZ3 TRP 2 17.073 -2.054 1.787 25 HH2 TRP 2 HH2 TRP 2 18.602 -1.848 -0.154 26 H LYS 3 H LYS 3 12.771 -7.218 -2.250 27 HA LYS 3 HA LYS 3 11.181 -6.176 -4.430 28 1HB LYS 3 2HB LYS 3 12.244 -7.853 -5.648 29 2HB LYS 3 1HB LYS 3 13.349 -7.716 -4.284 30 1HG LYS 3 2HG LYS 3 12.025 -9.557 -3.150 31 2HG LYS 3 1HG LYS 3 11.163 -9.774 -4.672 32 1HD LYS 3 2HD LYS 3 12.932 -10.783 -5.683 33 2HD LYS 3 1HD LYS 3 14.104 -9.706 -4.923 34 1HE LYS 3 2HE LYS 3 14.586 -11.752 -3.866 35 2HE LYS 3 1HE LYS 3 13.435 -11.032 -2.725 36 1HZ LYS 3 1HZ LYS 3 12.203 -12.845 -3.093 37 2HZ LYS 3 2HZ LYS 3 13.097 -13.297 -4.465 38 3HZ LYS 3 3HZ LYS 3 11.836 -12.167 -4.604 39 H LEU 4 H LEU 4 10.538 -8.215 -1.761 40 HA LEU 4 HA LEU 4 8.196 -9.538 -2.953 41 1HB LEU 4 2HB LEU 4 9.795 -9.609 -0.450 42 2HB LEU 4 1HB LEU 4 8.097 -10.061 -0.289 43 HG LEU 4 HG LEU 4 9.735 -11.222 -2.523 44 1HD1 LEU 4 1HD1 LEU 4 10.924 -11.480 -0.261 45 2HD1 LEU 4 2HD1 LEU 4 10.572 -12.967 -1.142 46 3HD1 LEU 4 3HD1 LEU 4 9.556 -12.485 0.216 47 1HD2 LEU 4 1HD2 LEU 4 7.143 -11.659 -1.193 48 2HD2 LEU 4 2HD2 LEU 4 8.061 -13.142 -1.464 49 3HD2 LEU 4 3HD2 LEU 4 7.656 -12.094 -2.824 50 H PHE 5 H PHE 5 8.862 -6.536 -1.547 51 HA PHE 5 HA PHE 5 6.520 -6.029 -0.003 52 1HB PHE 5 2HB PHE 5 8.823 -4.682 -0.944 53 2HB PHE 5 1HB PHE 5 7.443 -3.711 -1.455 54 HD1 PHE 5 HD1 PHE 5 6.402 -2.270 0.079 55 HD2 PHE 5 HD2 PHE 5 8.795 -5.531 1.528 56 HE1 PHE 5 HE1 PHE 5 6.126 -1.441 2.400 57 HE2 PHE 5 HE2 PHE 5 8.519 -4.701 3.847 58 HZ PHE 5 HZ PHE 5 7.185 -2.657 4.285 59 H LYS 6 H LYS 6 7.059 -6.220 -3.410 60 HA LYS 6 HA LYS 6 4.827 -4.710 -4.379 61 1HB LYS 6 2HB LYS 6 6.906 -5.900 -5.518 62 2HB LYS 6 1HB LYS 6 5.784 -7.253 -5.669 63 1HG LYS 6 2HG LYS 6 4.144 -5.676 -6.751 64 2HG LYS 6 1HG LYS 6 5.410 -4.447 -6.750 65 1HD LYS 6 2HD LYS 6 6.208 -5.305 -8.669 66 2HD LYS 6 1HD LYS 6 6.563 -6.810 -7.820 67 1HE LYS 6 2HE LYS 6 4.013 -7.317 -8.168 68 2HE LYS 6 1HE LYS 6 4.135 -6.094 -9.449 69 1HZ LYS 6 1HZ LYS 6 6.060 -7.276 -10.334 70 2HZ LYS 6 2HZ LYS 6 4.691 -8.280 -10.315 71 3HZ LYS 6 3HZ LYS 6 5.900 -8.466 -9.136 72 H LYS 7 H LYS 7 5.068 -7.694 -2.691 73 HA LYS 7 HA LYS 7 2.447 -8.727 -3.573 74 1HB LYS 7 2HB LYS 7 4.320 -10.242 -3.155 75 2HB LYS 7 1HB LYS 7 4.518 -9.591 -1.527 76 1HG LYS 7 2HG LYS 7 2.873 -10.896 -0.702 77 2HG LYS 7 1HG LYS 7 1.785 -10.485 -2.028 78 1HD LYS 7 2HD LYS 7 2.160 -12.815 -2.273 79 2HD LYS 7 1HD LYS 7 3.224 -12.070 -3.465 80 1HE LYS 7 2HE LYS 7 4.956 -12.097 -1.440 81 2HE LYS 7 1HE LYS 7 3.929 -13.437 -0.894 82 1HZ LYS 7 1HZ LYS 7 4.701 -13.302 -3.725 83 2HZ LYS 7 2HZ LYS 7 4.351 -14.661 -2.766 84 3HZ LYS 7 3HZ LYS 7 5.843 -13.863 -2.604 85 H ILE 8 H ILE 8 3.702 -6.594 -1.203 86 HA ILE 8 HA ILE 8 2.218 -6.920 1.112 87 HB ILE 8 HB ILE 8 3.887 -5.103 0.318 88 1HG1 ILE 8 2HG1 ILE 8 2.581 -5.276 2.554 89 2HG1 ILE 8 1HG1 ILE 8 3.279 -3.714 2.128 90 1HG2 ILE 8 1HG2 ILE 8 2.792 -2.986 -0.398 91 2HG2 ILE 8 2HG2 ILE 8 1.257 -3.846 -0.519 92 3HG2 ILE 8 3HG2 ILE 8 2.596 -4.277 -1.583 93 1HD1 ILE 8 1HD1 ILE 8 0.614 -4.181 2.779 94 2HD1 ILE 8 2HD1 ILE 8 0.597 -4.061 1.019 95 3HD1 ILE 8 3HD1 ILE 8 1.247 -2.738 1.987 96 HA PRO 9 HA PRO 9 -1.990 -6.746 -0.182 97 1HB PRO 9 2HB PRO 9 -3.127 -6.281 2.260 98 2HB PRO 9 1HB PRO 9 -2.477 -7.861 1.780 99 1HG PRO 9 2HG PRO 9 -1.264 -5.760 3.503 100 2HG PRO 9 1HG PRO 9 -1.217 -7.523 3.669 101 1HD PRO 9 2HD PRO 9 0.852 -6.041 2.679 102 2HD PRO 9 1HD PRO 9 0.557 -7.739 2.241 103 H LYS 10 H LYS 10 -1.317 -4.556 -1.250 104 HA LYS 10 HA LYS 10 -1.980 -2.111 0.227 105 1HB LYS 10 2HB LYS 10 -0.778 -2.957 -2.289 106 2HB LYS 10 1HB LYS 10 -1.898 -1.617 -2.537 107 1HG LYS 10 2HG LYS 10 -0.762 -0.350 -0.734 108 2HG LYS 10 1HG LYS 10 0.383 -1.678 -0.540 109 1HD LYS 10 2HD LYS 10 1.622 -0.493 -2.046 110 2HD LYS 10 1HD LYS 10 0.557 -1.262 -3.225 111 1HE LYS 10 2HE LYS 10 -0.237 1.342 -1.915 112 2HE LYS 10 1HE LYS 10 0.800 1.322 -3.356 113 1HZ LYS 10 1HZ LYS 10 -1.991 0.538 -3.075 114 2HZ LYS 10 2HZ LYS 10 -1.032 -0.467 -4.054 115 3HZ LYS 10 3HZ LYS 10 -1.178 1.187 -4.415 116 H PHE 11 H PHE 11 -3.759 -4.531 -1.349 117 HA PHE 11 HA PHE 11 -5.859 -3.022 -2.600 118 1HB PHE 11 2HB PHE 11 -5.221 -5.471 -2.861 119 2HB PHE 11 1HB PHE 11 -5.997 -5.758 -1.305 120 HD1 PHE 11 HD1 PHE 11 -8.432 -4.639 -1.097 121 HD2 PHE 11 HD2 PHE 11 -6.519 -5.766 -4.772 122 HE1 PHE 11 HE1 PHE 11 -10.643 -4.748 -2.213 123 HE2 PHE 11 HE2 PHE 11 -8.731 -5.875 -5.890 124 HZ PHE 11 HZ PHE 11 -10.792 -5.366 -4.610 125 H LEU 12 H LEU 12 -5.293 -4.068 0.725 126 HA LEU 12 HA LEU 12 -7.884 -3.798 1.819 127 1HB LEU 12 2HB LEU 12 -5.213 -4.154 2.663 128 2HB LEU 12 1HB LEU 12 -5.821 -2.769 3.570 129 HG LEU 12 HG LEU 12 -7.826 -4.108 4.206 130 1HD1 LEU 12 1HD1 LEU 12 -6.379 -6.558 3.241 131 2HD1 LEU 12 2HD1 LEU 12 -7.395 -5.654 2.118 132 3HD1 LEU 12 3HD1 LEU 12 -8.095 -6.341 3.584 133 1HD2 LEU 12 1HD2 LEU 12 -5.033 -4.727 4.963 134 2HD2 LEU 12 2HD2 LEU 12 -6.212 -5.958 5.417 135 3HD2 LEU 12 3HD2 LEU 12 -6.408 -4.299 5.983 136 H HIS 13 H HIS 13 -5.480 -1.299 1.045 137 HA HIS 13 HA HIS 13 -6.809 0.864 2.403 138 1HB HIS 13 2HB HIS 13 -4.415 0.452 1.199 139 2HB HIS 13 1HB HIS 13 -5.231 1.382 -0.059 140 HD1 HIS 13 HD1 HIS 13 -3.010 2.092 2.466 141 HD2 HIS 13 HD2 HIS 13 -6.803 3.617 1.653 142 HE1 HIS 13 HE1 HIS 13 -3.147 4.333 3.640 143 H SER 14 H SER 14 -7.266 -0.641 -0.750 144 HA SER 14 HA SER 14 -8.890 1.528 -1.834 145 1HB SER 14 2HB SER 14 -9.068 0.084 -3.711 146 2HB SER 14 1HB SER 14 -7.492 -0.304 -3.028 147 HG SER 14 HG SER 14 -9.870 -1.762 -3.032 148 H ALA 15 H ALA 15 -9.415 -0.930 0.436 149 HA ALA 15 HA ALA 15 -12.180 -1.579 -0.105 150 1HB ALA 15 1HB ALA 15 -12.027 -2.689 2.000 151 2HB ALA 15 2HB ALA 15 -10.778 -1.584 2.575 152 3HB ALA 15 3HB ALA 15 -10.398 -2.773 1.330 153 H LYS 16 H LYS 16 -10.561 1.100 1.430 154 HA LYS 16 HA LYS 16 -12.534 2.107 3.170 155 1HB LYS 16 2HB LYS 16 -10.232 2.959 2.903 156 2HB LYS 16 1HB LYS 16 -10.634 3.553 1.292 157 1HG LYS 16 2HG LYS 16 -11.728 5.371 2.101 158 2HG LYS 16 1HG LYS 16 -12.474 4.455 3.411 159 1HD LYS 16 2HD LYS 16 -11.033 5.686 4.697 160 2HD LYS 16 1HD LYS 16 -9.900 4.413 4.240 161 1HE LYS 16 2HE LYS 16 -9.147 5.793 2.308 162 2HE LYS 16 1HE LYS 16 -10.234 7.091 2.840 163 1HZ LYS 16 1HZ LYS 16 -8.179 5.838 4.579 164 2HZ LYS 16 2HZ LYS 16 -9.127 7.204 4.932 165 3HZ LYS 16 3HZ LYS 16 -7.931 7.284 3.728 166 H LYS 17 H LYS 17 -12.524 1.924 -0.310 167 HA LYS 17 HA LYS 17 -14.181 4.003 -1.150 168 1HB LYS 17 2HB LYS 17 -13.239 1.527 -2.084 169 2HB LYS 17 1HB LYS 17 -14.992 1.438 -2.258 170 1HG LYS 17 2HG LYS 17 -15.018 3.522 -3.521 171 2HG LYS 17 1HG LYS 17 -13.288 3.739 -3.257 172 1HD LYS 17 2HD LYS 17 -13.862 2.785 -5.517 173 2HD LYS 17 1HD LYS 17 -12.770 1.778 -4.568 174 1HE LYS 17 2HE LYS 17 -14.531 0.378 -5.574 175 2HE LYS 17 1HE LYS 17 -14.747 0.425 -3.813 176 1HZ LYS 17 1HZ LYS 17 -16.832 0.909 -4.934 177 2HZ LYS 17 2HZ LYS 17 -16.107 2.189 -5.782 178 3HZ LYS 17 3HZ LYS 17 -16.285 2.278 -4.096 179 H PHE 18 H PHE 18 -14.990 1.303 0.902 180 HA PHE 18 HA PHE 18 -17.890 1.510 0.559 181 1HB PHE 18 2HB PHE 18 -16.312 -0.476 1.246 182 2HB PHE 18 1HB PHE 18 -16.447 0.212 2.863 183 HD1 PHE 18 HD1 PHE 18 -19.406 1.274 1.800 184 HD2 PHE 18 HD2 PHE 18 -17.436 -2.500 2.376 185 HE1 PHE 18 HE1 PHE 18 -21.607 0.168 2.091 186 HE2 PHE 18 HE2 PHE 18 -19.636 -3.605 2.664 187 HZ PHE 18 HZ PHE 18 -21.722 -2.271 2.522 188 1HN NH2 19 1HN NH2 19 -16.661 4.082 1.340 189 2HN NH2 19 2HN NH2 19 -17.259 4.475 2.878
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