NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
614073 | 2nd8 | 26051 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 H ASP 1 1.806 -0.000 0.856 2 HA ASP 1 HA ASP 1 1.642 -0.720 -1.908 3 HB2 ASP 1 2HB ASP 1 2.916 1.504 -2.524 4 HB3 ASP 1 3HB ASP 1 1.155 1.454 -2.503 5 H ARG 2 H ARG 2 3.407 -1.856 -2.361 6 HA ARG 2 HA ARG 2 5.858 -1.300 -0.821 7 HB2 ARG 2 2HB ARG 2 4.364 -3.763 -1.191 8 HB3 ARG 2 3HB ARG 2 6.036 -3.936 -1.709 9 HG2 ARG 2 2HG ARG 2 5.199 -2.879 0.982 10 HG3 ARG 2 3HG ARG 2 5.633 -4.559 0.657 11 HD2 ARG 2 2HD ARG 2 7.862 -3.974 0.114 12 HD3 ARG 2 3HD ARG 2 7.467 -2.257 0.040 13 HE ARG 2 HE ARG 2 8.065 -3.801 2.392 14 HH11 ARG 2 1HH1 ARG 2 6.486 -0.957 1.152 15 HH12 ARG 2 2HH1 ARG 2 6.562 -0.100 2.657 16 HH21 ARG 2 2HH2 ARG 2 7.521 -1.084 4.490 17 HH22 ARG 2 1HH2 ARG 2 8.170 -2.684 4.378 18 H GLN 3 H GLN 3 5.157 -3.380 -3.617 19 HA GLN 3 HA GLN 3 7.184 -1.869 -5.131 20 HB2 GLN 3 2HB GLN 3 6.599 -4.834 -5.200 21 HB3 GLN 3 3HB GLN 3 7.690 -4.009 -6.305 22 HG2 GLN 3 2HG GLN 3 8.330 -3.430 -3.546 23 HG3 GLN 3 3HG GLN 3 8.337 -5.162 -3.873 24 HE21 GLN 3 2HE2 GLN 3 11.660 -4.678 -4.814 25 HE22 GLN 3 1HE2 GLN 3 10.564 -5.293 -3.628 26 H ILE 4 H ILE 4 4.874 -4.419 -6.022 27 HA ILE 4 HA ILE 4 3.730 -2.560 -8.004 28 HB ILE 4 HB ILE 4 3.197 -4.640 -9.346 29 HG12 ILE 4 2HG1 ILE 4 5.230 -5.842 -7.453 30 HG13 ILE 4 3HG1 ILE 4 3.530 -6.284 -7.559 31 HG21 ILE 4 1HG2 ILE 4 4.960 -3.100 -9.991 32 HG22 ILE 4 2HG2 ILE 4 6.093 -3.920 -8.918 33 HG23 ILE 4 3HG2 ILE 4 5.446 -4.762 -10.325 34 HD11 ILE 4 3HD1 ILE 4 4.078 -7.830 -9.035 35 HD12 ILE 4 1HD1 ILE 4 4.575 -6.555 -10.146 36 HD13 ILE 4 2HD1 ILE 4 5.752 -7.276 -9.047 37 H LYS 5 H LYS 5 3.116 -5.231 -5.789 38 HA LYS 5 HA LYS 5 0.259 -5.141 -6.230 39 HB2 LYS 5 2HB LYS 5 2.146 -6.836 -4.713 40 HB3 LYS 5 3HB LYS 5 0.544 -6.668 -4.008 41 HG2 LYS 5 2HG LYS 5 0.600 -8.622 -5.398 42 HG3 LYS 5 3HG LYS 5 -0.438 -7.408 -6.149 43 HD2 LYS 5 2HD LYS 5 1.428 -6.758 -7.621 44 HD3 LYS 5 3HD LYS 5 2.423 -8.020 -6.892 45 HE2 LYS 5 2HE LYS 5 -0.225 -8.767 -8.029 46 HE3 LYS 5 3HE LYS 5 1.103 -8.431 -9.139 47 HZ1 LYS 5 3HZ LYS 5 0.611 -10.788 -7.784 48 HZ2 LYS 5 1HZ LYS 5 1.975 -10.118 -7.041 49 HZ3 LYS 5 2HZ LYS 5 1.975 -10.405 -8.708 50 H ILE 6 H ILE 6 0.195 -2.795 -5.671 51 HA ILE 6 HA ILE 6 0.527 -2.072 -2.901 52 HB ILE 6 HB ILE 6 -0.452 0.110 -3.601 53 HG12 ILE 6 2HG1 ILE 6 -0.248 -0.108 -6.406 54 HG13 ILE 6 3HG1 ILE 6 -1.234 -1.468 -5.881 55 HG21 ILE 6 1HG2 ILE 6 2.031 -0.726 -3.878 56 HG22 ILE 6 2HG2 ILE 6 1.669 -0.514 -5.590 57 HG23 ILE 6 3HG2 ILE 6 1.524 0.851 -4.483 58 HD11 ILE 6 3HD1 ILE 6 -2.269 0.894 -6.455 59 HD12 ILE 6 1HD1 ILE 6 -2.938 -0.142 -5.194 60 HD13 ILE 6 2HD1 ILE 6 -1.874 1.197 -4.763 61 H TRP 7 H TRP 7 -2.103 -2.984 -5.020 62 HA TRP 7 HA TRP 7 -4.164 -2.234 -3.155 63 HB2 TRP 7 2HB TRP 7 -4.325 -2.404 -5.741 64 HB3 TRP 7 3HB TRP 7 -4.563 -4.126 -5.457 65 HD1 TRP 7 HD1 TRP 7 -6.764 -4.760 -3.878 66 HE1 TRP 7 HE1 TRP 7 -9.064 -3.609 -3.782 67 HE3 TRP 7 HE3 TRP 7 -5.511 -0.266 -5.970 68 HZ2 TRP 7 HZ2 TRP 7 -10.198 -1.125 -4.499 69 HZ3 TRP 7 HZ3 TRP 7 -7.262 1.443 -6.230 70 HH2 TRP 7 HH2 TRP 7 -9.556 1.020 -5.510 71 H PHE 8 H PHE 8 -2.853 -5.324 -4.350 72 HA PHE 8 HA PHE 8 -4.392 -6.985 -2.693 73 HB2 PHE 8 2HB PHE 8 -2.414 -7.329 -4.652 74 HB3 PHE 8 3HB PHE 8 -1.776 -8.104 -3.206 75 HD1 PHE 8 HD1 PHE 8 -2.440 -10.250 -2.655 76 HD2 PHE 8 HD2 PHE 8 -4.816 -7.958 -5.341 77 HE1 PHE 8 HE1 PHE 8 -3.844 -12.223 -3.091 78 HE2 PHE 8 HE2 PHE 8 -6.224 -9.926 -5.780 79 HZ PHE 8 HZ PHE 8 -5.740 -12.062 -4.654 80 H GLN 9 H GLN 9 -1.767 -4.937 -1.974 81 HA GLN 9 HA GLN 9 -0.498 -6.249 0.124 82 HB2 GLN 9 2HB GLN 9 0.566 -4.301 -0.545 83 HB3 GLN 9 3HB GLN 9 -0.926 -3.370 -0.565 84 HG2 GLN 9 2HG GLN 9 -0.868 -2.962 1.687 85 HG3 GLN 9 3HG GLN 9 0.088 -4.402 2.033 86 HE21 GLN 9 2HE2 GLN 9 2.087 -1.219 2.324 87 HE22 GLN 9 1HE2 GLN 9 0.523 -1.673 2.902 88 H ASN 10 H ASN 10 -3.634 -4.814 -0.031 89 HA ASN 10 HA ASN 10 -4.099 -4.279 2.678 90 HB2 ASN 10 2HB ASN 10 -5.950 -5.040 0.421 91 HB3 ASN 10 3HB ASN 10 -6.543 -4.672 2.038 92 HD21 ASN 10 2HD2 ASN 10 -6.905 -1.427 0.801 93 HD22 ASN 10 1HD2 ASN 10 -7.695 -2.903 1.226 94 H ARG 11 H ARG 11 -3.580 -7.227 1.117 95 HA ARG 11 HA ARG 11 -5.082 -8.787 3.073 96 HB2 ARG 11 2HB ARG 11 -4.753 -10.649 1.693 97 HB3 ARG 11 3HB ARG 11 -4.955 -9.319 0.560 98 HG2 ARG 11 2HG ARG 11 -3.130 -10.223 -0.390 99 HG3 ARG 11 3HG ARG 11 -2.286 -9.277 0.838 100 HD2 ARG 11 2HD ARG 11 -1.354 -11.200 1.479 101 HD3 ARG 11 3HD ARG 11 -2.928 -11.608 2.160 102 HE ARG 11 HE ARG 11 -3.228 -13.133 0.476 103 HH11 ARG 11 1HH1 ARG 11 -0.573 -11.031 -0.332 104 HH12 ARG 11 2HH1 ARG 11 -0.083 -11.963 -1.707 105 HH21 ARG 11 2HH2 ARG 11 -1.233 -13.862 -2.276 106 HH22 ARG 11 1HH2 ARG 11 -2.592 -14.369 -1.333 107 H ARG 12 H ARG 12 -1.871 -7.714 2.410 108 HA ARG 12 HA ARG 12 -0.824 -9.499 4.507 109 HB2 ARG 12 2HB ARG 12 1.401 -9.120 3.513 110 HB3 ARG 12 3HB ARG 12 0.280 -9.849 2.371 111 HG2 ARG 12 2HG ARG 12 0.120 -7.928 1.097 112 HG3 ARG 12 3HG ARG 12 0.650 -6.886 2.420 113 HD2 ARG 12 2HD ARG 12 2.746 -8.699 1.938 114 HD3 ARG 12 3HD ARG 12 2.201 -8.136 0.358 115 HE ARG 12 HE ARG 12 3.004 -6.039 0.854 116 HH11 ARG 12 1HH1 ARG 12 2.978 -7.999 3.732 117 HH12 ARG 12 2HH1 ARG 12 3.888 -6.863 4.671 118 HH21 ARG 12 2HH2 ARG 12 4.585 -4.893 3.731 119 HH22 ARG 12 1HH2 ARG 12 4.204 -4.536 2.080 120 H MET 13 H MET 13 -2.158 -7.426 5.505 121 HA MET 13 HA MET 13 -0.060 -5.514 6.297 122 HB2 MET 13 2HB MET 13 -2.330 -4.175 6.901 123 HB3 MET 13 3HB MET 13 -1.473 -4.006 5.375 124 HG2 MET 13 2HG MET 13 -3.011 -5.259 4.213 125 HG3 MET 13 3HG MET 13 -3.567 -6.105 5.655 126 HE1 MET 13 3HE MET 13 -6.281 -3.993 7.123 127 HE2 MET 13 1HE MET 13 -5.925 -5.624 6.553 128 HE3 MET 13 2HE MET 13 -4.802 -4.805 7.639 129 H LYS 14 H LYS 14 -3.304 -6.206 7.568 130 HA LYS 14 HA LYS 14 -2.128 -6.491 10.234 131 HB2 LYS 14 2HB LYS 14 -4.050 -4.891 9.756 132 HB3 LYS 14 3HB LYS 14 -5.062 -6.315 9.554 133 HG2 LYS 14 2HG LYS 14 -4.960 -6.870 11.789 134 HG3 LYS 14 3HG LYS 14 -3.462 -5.974 12.051 135 HD2 LYS 14 2HD LYS 14 -5.727 -4.328 11.178 136 HD3 LYS 14 3HD LYS 14 -5.949 -5.101 12.749 137 HE2 LYS 14 2HE LYS 14 -3.488 -4.214 13.128 138 HE3 LYS 14 3HE LYS 14 -3.969 -3.052 11.893 139 HZ1 LYS 14 3HZ LYS 14 -6.022 -2.726 13.373 140 HZ2 LYS 14 1HZ LYS 14 -4.562 -2.024 13.861 141 HZ3 LYS 14 2HZ LYS 14 -5.096 -3.455 14.587 142 H TRP 15 H TRP 15 -2.565 -8.511 7.840 143 HA TRP 15 HA TRP 15 -3.776 -10.647 9.462 144 HB2 TRP 15 2HB TRP 15 -4.186 -9.883 6.770 145 HB3 TRP 15 3HB TRP 15 -3.345 -11.430 6.731 146 HD1 TRP 15 HD1 TRP 15 -4.968 -13.391 6.633 147 HE1 TRP 15 HE1 TRP 15 -7.334 -13.888 7.517 148 HE3 TRP 15 HE3 TRP 15 -5.880 -8.974 9.040 149 HZ2 TRP 15 HZ2 TRP 15 -9.323 -12.580 9.034 150 HZ3 TRP 15 HZ3 TRP 15 -8.039 -8.677 10.182 151 HH2 TRP 15 HH2 TRP 15 -9.724 -10.444 10.178 152 H LYS 16 H LYS 16 -0.899 -9.608 7.835 153 HA LYS 16 HA LYS 16 0.486 -11.995 7.535 154 HB2 LYS 16 2HB LYS 16 2.540 -10.624 7.699 155 HB3 LYS 16 3HB LYS 16 1.336 -9.914 6.632 156 HG2 LYS 16 2HG LYS 16 1.985 -8.068 7.796 157 HG3 LYS 16 3HG LYS 16 0.647 -8.614 8.810 158 HD2 LYS 16 2HD LYS 16 2.001 -9.033 10.540 159 HD3 LYS 16 3HD LYS 16 3.177 -9.865 9.520 160 HE2 LYS 16 2HE LYS 16 3.740 -7.431 8.724 161 HE3 LYS 16 3HE LYS 16 3.001 -6.979 10.260 162 HZ1 LYS 16 3HZ LYS 16 5.412 -7.274 10.427 163 HZ2 LYS 16 1HZ LYS 16 5.253 -8.891 9.956 164 HZ3 LYS 16 2HZ LYS 16 4.578 -8.365 11.415 165 H LYS 17 H LYS 17 -0.280 -10.212 10.405 166 HA LYS 17 HA LYS 17 1.657 -11.062 12.184 167 HB2 LYS 17 2HB LYS 17 -1.294 -10.598 12.640 168 HB3 LYS 17 3HB LYS 17 -0.129 -10.831 13.937 169 HG2 LYS 17 2HG LYS 17 0.940 -8.818 12.315 170 HG3 LYS 17 3HG LYS 17 -0.779 -8.451 12.475 171 HD2 LYS 17 2HD LYS 17 0.882 -9.172 14.867 172 HD3 LYS 17 3HD LYS 17 0.851 -7.521 14.244 173 HE2 LYS 17 2HE LYS 17 -1.823 -8.318 14.359 174 HE3 LYS 17 3HE LYS 17 -1.097 -8.920 15.848 175 HZ1 LYS 17 3HZ LYS 17 -2.042 -6.495 15.674 176 HZ2 LYS 17 1HZ LYS 17 -0.507 -6.168 15.043 177 HZ3 LYS 17 2HZ LYS 17 -0.662 -6.829 16.592 Start of MODEL 2 1 H1 ASP 1 H ASP 1 5.905 -4.896 -0.042 2 HA ASP 1 HA ASP 1 4.304 -3.888 -1.466 3 HB2 ASP 1 2HB ASP 1 3.566 -1.483 -0.700 4 HB3 ASP 1 3HB ASP 1 2.804 -2.911 -0.007 5 H ARG 2 H ARG 2 5.151 -3.031 -3.245 6 HA ARG 2 HA ARG 2 7.341 -1.081 -2.947 7 HB2 ARG 2 2HB ARG 2 7.017 -3.357 -4.894 8 HB3 ARG 2 3HB ARG 2 8.124 -2.024 -5.193 9 HG2 ARG 2 2HG ARG 2 9.233 -2.556 -3.022 10 HG3 ARG 2 3HG ARG 2 8.213 -3.993 -2.922 11 HD2 ARG 2 2HD ARG 2 9.205 -4.272 -5.416 12 HD3 ARG 2 3HD ARG 2 10.545 -3.434 -4.635 13 HE ARG 2 HE ARG 2 9.820 -5.484 -2.934 14 HH11 ARG 2 1HH1 ARG 2 10.989 -5.169 -6.198 15 HH12 ARG 2 2HH1 ARG 2 11.809 -6.695 -6.190 16 HH21 ARG 2 2HH2 ARG 2 11.756 -8.017 -4.320 17 HH22 ARG 2 1HH2 ARG 2 10.897 -7.494 -2.911 18 H GLN 3 H GLN 3 5.489 -2.254 -5.744 19 HA GLN 3 HA GLN 3 4.669 0.531 -6.251 20 HB2 GLN 3 2HB GLN 3 6.330 -0.193 -7.883 21 HB3 GLN 3 3HB GLN 3 5.367 -1.616 -8.261 22 HG2 GLN 3 2HG GLN 3 4.161 -0.496 -9.740 23 HG3 GLN 3 3HG GLN 3 3.803 0.776 -8.573 24 HE21 GLN 3 2HE2 GLN 3 5.547 2.949 -10.634 25 HE22 GLN 3 1HE2 GLN 3 4.048 2.500 -9.902 26 H ILE 4 H ILE 4 3.776 -2.588 -7.705 27 HA ILE 4 HA ILE 4 0.976 -1.853 -7.567 28 HB ILE 4 HB ILE 4 0.563 -3.916 -8.821 29 HG12 ILE 4 2HG1 ILE 4 3.553 -4.330 -8.591 30 HG13 ILE 4 3HG1 ILE 4 2.315 -5.307 -7.809 31 HG21 ILE 4 1HG2 ILE 4 1.105 -1.904 -10.056 32 HG22 ILE 4 2HG2 ILE 4 2.827 -2.252 -9.914 33 HG23 ILE 4 3HG2 ILE 4 1.789 -3.311 -10.868 34 HD11 ILE 4 3HD1 ILE 4 2.411 -6.642 -9.570 35 HD12 ILE 4 1HD1 ILE 4 1.642 -5.355 -10.498 36 HD13 ILE 4 2HD1 ILE 4 3.400 -5.492 -10.469 37 H LYS 5 H LYS 5 3.216 -3.812 -5.827 38 HA LYS 5 HA LYS 5 1.455 -5.676 -4.671 39 HB2 LYS 5 2HB LYS 5 3.894 -4.543 -3.309 40 HB3 LYS 5 3HB LYS 5 3.190 -6.143 -3.112 41 HG2 LYS 5 2HG LYS 5 4.660 -5.079 -5.511 42 HG3 LYS 5 3HG LYS 5 5.180 -6.354 -4.407 43 HD2 LYS 5 2HD LYS 5 3.287 -7.739 -5.135 44 HD3 LYS 5 3HD LYS 5 2.795 -6.466 -6.256 45 HE2 LYS 5 2HE LYS 5 4.624 -6.807 -7.642 46 HE3 LYS 5 3HE LYS 5 5.564 -7.593 -6.374 47 HZ1 LYS 5 3HZ LYS 5 3.884 -9.438 -6.500 48 HZ2 LYS 5 1HZ LYS 5 4.891 -9.278 -7.851 49 HZ3 LYS 5 2HZ LYS 5 3.296 -8.717 -7.913 50 H ILE 6 H ILE 6 1.946 -2.321 -4.089 51 HA ILE 6 HA ILE 6 1.185 -2.054 -1.430 52 HB ILE 6 HB ILE 6 0.526 0.220 -1.951 53 HG12 ILE 6 2HG1 ILE 6 0.877 0.731 -4.571 54 HG13 ILE 6 3HG1 ILE 6 0.250 -0.910 -4.681 55 HG21 ILE 6 1HG2 ILE 6 2.602 0.886 -3.309 56 HG22 ILE 6 2HG2 ILE 6 2.842 0.032 -1.786 57 HG23 ILE 6 3HG2 ILE 6 2.976 -0.837 -3.315 58 HD11 ILE 6 3HD1 ILE 6 -1.247 1.368 -4.546 59 HD12 ILE 6 1HD1 ILE 6 -1.820 -0.261 -4.190 60 HD13 ILE 6 2HD1 ILE 6 -1.279 0.790 -2.880 61 H TRP 7 H TRP 7 -0.751 -2.645 -4.280 62 HA TRP 7 HA TRP 7 -3.263 -2.090 -3.017 63 HB2 TRP 7 2HB TRP 7 -2.721 -2.038 -5.534 64 HB3 TRP 7 3HB TRP 7 -2.899 -3.790 -5.475 65 HD1 TRP 7 HD1 TRP 7 -5.373 -4.754 -4.974 66 HE1 TRP 7 HE1 TRP 7 -7.698 -3.705 -5.314 67 HE3 TRP 7 HE3 TRP 7 -3.991 0.144 -5.458 68 HZ2 TRP 7 HZ2 TRP 7 -8.801 -1.140 -5.732 69 HZ3 TRP 7 HZ3 TRP 7 -5.742 1.833 -5.826 70 HH2 TRP 7 HH2 TRP 7 -8.097 1.202 -5.961 71 H PHE 8 H PHE 8 -1.640 -5.092 -4.046 72 HA PHE 8 HA PHE 8 -3.550 -6.834 -2.920 73 HB2 PHE 8 2HB PHE 8 -0.870 -7.070 -4.111 74 HB3 PHE 8 3HB PHE 8 -1.250 -8.315 -2.925 75 HD1 PHE 8 HD1 PHE 8 -2.410 -10.192 -3.589 76 HD2 PHE 8 HD2 PHE 8 -2.678 -6.650 -5.933 77 HE1 PHE 8 HE1 PHE 8 -3.699 -11.418 -5.289 78 HE2 PHE 8 HE2 PHE 8 -3.969 -7.870 -7.636 79 HZ PHE 8 HZ PHE 8 -4.481 -10.257 -7.315 80 H GLN 9 H GLN 9 -1.075 -4.951 -1.511 81 HA GLN 9 HA GLN 9 -0.334 -6.473 0.701 82 HB2 GLN 9 2HB GLN 9 0.932 -4.546 0.386 83 HB3 GLN 9 3HB GLN 9 -0.486 -3.528 0.173 84 HG2 GLN 9 2HG GLN 9 -0.983 -3.684 2.541 85 HG3 GLN 9 3HG GLN 9 0.391 -4.764 2.774 86 HE21 GLN 9 2HE2 GLN 9 1.330 -0.932 1.692 87 HE22 GLN 9 1HE2 GLN 9 0.081 -1.798 0.871 88 H ASN 10 H ASN 10 -3.300 -4.863 -0.007 89 HA ASN 10 HA ASN 10 -4.310 -4.441 2.566 90 HB2 ASN 10 2HB ASN 10 -5.740 -5.093 -0.018 91 HB3 ASN 10 3HB ASN 10 -6.560 -4.594 1.459 92 HD21 ASN 10 2HD2 ASN 10 -5.050 -1.283 1.319 93 HD22 ASN 10 1HD2 ASN 10 -5.185 -2.590 2.440 94 H ARG 11 H ARG 11 -3.587 -7.337 0.978 95 HA ARG 11 HA ARG 11 -5.563 -8.955 2.332 96 HB2 ARG 11 2HB ARG 11 -4.667 -10.793 1.153 97 HB3 ARG 11 3HB ARG 11 -4.584 -9.441 0.033 98 HG2 ARG 11 2HG ARG 11 -2.489 -10.168 -0.291 99 HG3 ARG 11 3HG ARG 11 -2.154 -9.262 1.186 100 HD2 ARG 11 2HD ARG 11 -1.607 -11.122 2.273 101 HD3 ARG 11 3HD ARG 11 -3.133 -11.885 1.828 102 HE ARG 11 HE ARG 11 -0.569 -12.261 0.570 103 HH11 ARG 11 1HH1 ARG 11 -4.022 -12.512 0.208 104 HH12 ARG 11 2HH1 ARG 11 -3.935 -13.708 -1.043 105 HH21 ARG 11 2HH2 ARG 11 -1.898 -14.460 -1.772 106 HH22 ARG 11 1HH2 ARG 11 -0.441 -13.835 -1.076 107 H ARG 12 H ARG 12 -2.299 -7.905 2.847 108 HA ARG 12 HA ARG 12 -2.159 -9.601 5.253 109 HB2 ARG 12 2HB ARG 12 -0.464 -10.318 3.702 110 HB3 ARG 12 3HB ARG 12 0.068 -8.661 3.443 111 HG2 ARG 12 2HG ARG 12 1.410 -8.706 5.217 112 HG3 ARG 12 3HG ARG 12 0.176 -9.447 6.238 113 HD2 ARG 12 2HD ARG 12 2.114 -10.905 6.024 114 HD3 ARG 12 3HD ARG 12 0.694 -11.634 5.276 115 HE ARG 12 HE ARG 12 1.905 -10.382 3.208 116 HH11 ARG 12 1HH1 ARG 12 3.013 -12.632 5.623 117 HH12 ARG 12 2HH1 ARG 12 4.212 -13.345 4.596 118 HH21 ARG 12 2HH2 ARG 12 4.477 -12.594 2.448 119 HH22 ARG 12 1HH2 ARG 12 3.480 -11.313 1.846 120 H MET 13 H MET 13 -3.352 -7.777 6.236 121 HA MET 13 HA MET 13 -1.516 -5.596 6.985 122 HB2 MET 13 2HB MET 13 -3.942 -4.538 7.539 123 HB3 MET 13 3HB MET 13 -3.098 -4.303 6.014 124 HG2 MET 13 2HG MET 13 -4.454 -5.773 4.878 125 HG3 MET 13 3HG MET 13 -4.918 -6.639 6.341 126 HE1 MET 13 3HE MET 13 -6.733 -6.592 7.343 127 HE2 MET 13 1HE MET 13 -7.105 -5.094 8.197 128 HE3 MET 13 2HE MET 13 -8.186 -5.679 6.932 129 H LYS 14 H LYS 14 -4.659 -6.655 8.257 130 HA LYS 14 HA LYS 14 -3.556 -6.600 10.951 131 HB2 LYS 14 2HB LYS 14 -5.954 -5.788 9.975 132 HB3 LYS 14 3HB LYS 14 -6.373 -7.398 10.547 133 HG2 LYS 14 2HG LYS 14 -6.060 -6.856 12.735 134 HG3 LYS 14 3HG LYS 14 -4.832 -5.640 12.374 135 HD2 LYS 14 2HD LYS 14 -7.422 -4.939 11.269 136 HD3 LYS 14 3HD LYS 14 -7.487 -5.168 13.019 137 HE2 LYS 14 2HE LYS 14 -5.152 -3.657 12.160 138 HE3 LYS 14 3HE LYS 14 -6.669 -2.886 11.698 139 HZ1 LYS 14 3HZ LYS 14 -6.366 -2.053 13.789 140 HZ2 LYS 14 1HZ LYS 14 -5.611 -3.448 14.376 141 HZ3 LYS 14 2HZ LYS 14 -7.288 -3.422 14.158 142 H TRP 15 H TRP 15 -3.303 -8.787 8.705 143 HA TRP 15 HA TRP 15 -4.253 -11.098 10.215 144 HB2 TRP 15 2HB TRP 15 -3.563 -10.556 7.417 145 HB3 TRP 15 3HB TRP 15 -2.955 -12.101 8.006 146 HD1 TRP 15 HD1 TRP 15 -5.951 -10.616 6.507 147 HE1 TRP 15 HE1 TRP 15 -7.976 -12.188 6.741 148 HE3 TRP 15 HE3 TRP 15 -4.056 -13.871 9.964 149 HZ2 TRP 15 HZ2 TRP 15 -8.677 -14.501 8.199 150 HZ3 TRP 15 HZ3 TRP 15 -5.469 -15.736 10.727 151 HH2 TRP 15 HH2 TRP 15 -7.731 -16.042 9.861 152 H LYS 16 H LYS 16 -1.310 -9.446 9.349 153 HA LYS 16 HA LYS 16 0.499 -11.524 10.024 154 HB2 LYS 16 2HB LYS 16 2.206 -9.762 10.032 155 HB3 LYS 16 3HB LYS 16 1.166 -9.639 8.618 156 HG2 LYS 16 2HG LYS 16 1.206 -7.456 9.208 157 HG3 LYS 16 3HG LYS 16 -0.151 -7.972 10.212 158 HD2 LYS 16 2HD LYS 16 1.053 -7.831 12.149 159 HD3 LYS 16 3HD LYS 16 2.584 -8.200 11.352 160 HE2 LYS 16 2HE LYS 16 1.644 -5.751 10.294 161 HE3 LYS 16 3HE LYS 16 1.487 -5.659 12.047 162 HZ1 LYS 16 3HZ LYS 16 3.764 -5.222 10.629 163 HZ2 LYS 16 1HZ LYS 16 3.981 -6.795 11.213 164 HZ3 LYS 16 2HZ LYS 16 3.682 -5.527 12.291 165 H LYS 17 H LYS 17 -1.261 -9.187 11.878 166 HA LYS 17 HA LYS 17 0.334 -9.138 14.198 167 HB2 LYS 17 2HB LYS 17 -2.365 -8.302 13.432 168 HB3 LYS 17 3HB LYS 17 -2.242 -8.793 15.117 169 HG2 LYS 17 2HG LYS 17 -0.491 -7.181 15.503 170 HG3 LYS 17 3HG LYS 17 -0.475 -6.745 13.793 171 HD2 LYS 17 2HD LYS 17 -1.729 -5.064 14.890 172 HD3 LYS 17 3HD LYS 17 -2.904 -6.094 14.069 173 HE2 LYS 17 2HE LYS 17 -3.944 -6.162 16.051 174 HE3 LYS 17 3HE LYS 17 -2.684 -7.306 16.508 175 HZ1 LYS 17 3HZ LYS 17 -3.225 -4.836 17.651 176 HZ2 LYS 17 1HZ LYS 17 -1.742 -4.672 16.852 177 HZ3 LYS 17 2HZ LYS 17 -1.947 -5.883 18.015 Start of MODEL 3 1 H1 ASP 1 H ASP 1 7.537 -5.471 -3.178 2 HA ASP 1 HA ASP 1 5.254 -4.434 -3.325 3 HB2 ASP 1 2HB ASP 1 5.374 -2.045 -2.225 4 HB3 ASP 1 3HB ASP 1 4.926 -3.450 -1.262 5 H ARG 2 H ARG 2 5.104 -3.513 -5.260 6 HA ARG 2 HA ARG 2 7.330 -1.809 -6.170 7 HB2 ARG 2 2HB ARG 2 5.965 -4.094 -7.453 8 HB3 ARG 2 3HB ARG 2 6.260 -2.708 -8.494 9 HG2 ARG 2 2HG ARG 2 8.588 -3.405 -6.913 10 HG3 ARG 2 3HG ARG 2 8.032 -4.741 -7.923 11 HD2 ARG 2 2HD ARG 2 9.674 -3.342 -9.086 12 HD3 ARG 2 3HD ARG 2 8.104 -3.313 -9.887 13 HE ARG 2 HE ARG 2 8.125 -1.153 -8.173 14 HH11 ARG 2 1HH1 ARG 2 9.992 -2.257 -10.896 15 HH12 ARG 2 2HH1 ARG 2 10.410 -0.661 -11.423 16 HH21 ARG 2 2HH2 ARG 2 9.657 1.165 -10.262 17 HH22 ARG 2 1HH2 ARG 2 8.668 0.954 -8.857 18 H GLN 3 H GLN 3 4.127 -2.560 -7.514 19 HA GLN 3 HA GLN 3 3.520 0.323 -7.434 20 HB2 GLN 3 2HB GLN 3 3.922 -0.416 -9.724 21 HB3 GLN 3 3HB GLN 3 2.737 -1.702 -9.538 22 HG2 GLN 3 2HG GLN 3 0.944 -0.217 -9.533 23 HG3 GLN 3 3HG GLN 3 1.974 1.169 -9.177 24 HE21 GLN 3 2HE2 GLN 3 1.610 1.950 -12.554 25 HE22 GLN 3 1HE2 GLN 3 1.185 2.332 -10.924 26 H ILE 4 H ILE 4 1.598 -2.564 -8.216 27 HA ILE 4 HA ILE 4 -0.533 -1.586 -6.496 28 HB ILE 4 HB ILE 4 -1.884 -3.391 -7.433 29 HG12 ILE 4 2HG1 ILE 4 0.597 -4.142 -8.995 30 HG13 ILE 4 3HG1 ILE 4 -0.055 -5.056 -7.640 31 HG21 ILE 4 1HG2 ILE 4 -1.299 -1.154 -8.656 32 HG22 ILE 4 2HG2 ILE 4 -0.491 -2.226 -9.799 33 HG23 ILE 4 3HG2 ILE 4 -2.216 -2.410 -9.487 34 HD11 ILE 4 3HD1 ILE 4 -0.994 -4.862 -10.430 35 HD12 ILE 4 1HD1 ILE 4 -0.990 -6.233 -9.321 36 HD13 ILE 4 2HD1 ILE 4 -2.228 -4.985 -9.177 37 H LYS 5 H LYS 5 1.950 -3.992 -6.496 38 HA LYS 5 HA LYS 5 0.942 -5.891 -4.745 39 HB2 LYS 5 2HB LYS 5 3.712 -4.876 -5.292 40 HB3 LYS 5 3HB LYS 5 3.442 -6.066 -4.025 41 HG2 LYS 5 2HG LYS 5 3.367 -7.704 -5.509 42 HG3 LYS 5 3HG LYS 5 2.098 -6.881 -6.420 43 HD2 LYS 5 2HD LYS 5 4.083 -5.420 -7.296 44 HD3 LYS 5 3HD LYS 5 5.063 -6.797 -6.787 45 HE2 LYS 5 2HE LYS 5 4.579 -7.753 -8.736 46 HE3 LYS 5 3HE LYS 5 2.916 -7.911 -8.173 47 HZ1 LYS 5 3HZ LYS 5 3.311 -5.294 -9.106 48 HZ2 LYS 5 1HZ LYS 5 2.284 -6.488 -9.725 49 HZ3 LYS 5 2HZ LYS 5 3.874 -6.366 -10.288 50 H ILE 6 H ILE 6 2.015 -2.650 -4.126 51 HA ILE 6 HA ILE 6 2.607 -2.752 -1.417 52 HB ILE 6 HB ILE 6 2.059 -0.393 -1.308 53 HG12 ILE 6 2HG1 ILE 6 1.212 0.495 -3.704 54 HG13 ILE 6 3HG1 ILE 6 0.416 -1.075 -3.684 55 HG21 ILE 6 1HG2 ILE 6 3.751 -1.578 -3.302 56 HG22 ILE 6 2HG2 ILE 6 3.156 -0.014 -3.856 57 HG23 ILE 6 3HG2 ILE 6 4.018 -0.137 -2.322 58 HD11 ILE 6 3HD1 ILE 6 -0.559 1.235 -2.595 59 HD12 ILE 6 1HD1 ILE 6 -1.101 -0.398 -2.206 60 HD13 ILE 6 2HD1 ILE 6 0.107 0.396 -1.194 61 H TRP 7 H TRP 7 -0.487 -2.789 -3.043 62 HA TRP 7 HA TRP 7 -2.079 -2.235 -0.753 63 HB2 TRP 7 2HB TRP 7 -2.761 -2.062 -3.215 64 HB3 TRP 7 3HB TRP 7 -2.985 -3.808 -3.159 65 HD1 TRP 7 HD1 TRP 7 -5.043 -4.739 -1.715 66 HE1 TRP 7 HE1 TRP 7 -7.195 -3.607 -0.872 67 HE3 TRP 7 HE3 TRP 7 -3.689 0.150 -2.347 68 HZ2 TRP 7 HZ2 TRP 7 -8.188 -0.988 -0.522 69 HZ3 TRP 7 HZ3 TRP 7 -5.299 1.908 -1.735 70 HH2 TRP 7 HH2 TRP 7 -7.501 1.349 -0.842 71 H PHE 8 H PHE 8 -1.447 -5.283 -2.498 72 HA PHE 8 HA PHE 8 -2.719 -6.939 -0.608 73 HB2 PHE 8 2HB PHE 8 -1.250 -7.269 -3.052 74 HB3 PHE 8 3HB PHE 8 -0.672 -8.434 -1.865 75 HD1 PHE 8 HD1 PHE 8 -2.875 -8.042 -4.455 76 HD2 PHE 8 HD2 PHE 8 -2.759 -9.488 -0.454 77 HE1 PHE 8 HE1 PHE 8 -4.823 -9.471 -4.919 78 HE2 PHE 8 HE2 PHE 8 -4.706 -10.921 -0.911 79 HZ PHE 8 HZ PHE 8 -5.740 -10.914 -3.146 80 H GLN 9 H GLN 9 0.384 -5.444 -0.654 81 HA GLN 9 HA GLN 9 1.827 -7.181 1.006 82 HB2 GLN 9 2HB GLN 9 3.135 -5.567 -0.033 83 HB3 GLN 9 3HB GLN 9 2.021 -4.265 0.361 84 HG2 GLN 9 2HG GLN 9 2.878 -3.969 2.450 85 HG3 GLN 9 3HG GLN 9 3.394 -5.648 2.597 86 HE21 GLN 9 2HE2 GLN 9 6.496 -5.153 0.966 87 HE22 GLN 9 1HE2 GLN 9 5.236 -6.301 1.246 88 H ASN 10 H ASN 10 -0.677 -4.895 1.702 89 HA ASN 10 HA ASN 10 -0.166 -4.426 4.423 90 HB2 ASN 10 2HB ASN 10 -2.158 -3.727 2.564 91 HB3 ASN 10 3HB ASN 10 -3.000 -4.541 3.880 92 HD21 ASN 10 2HD2 ASN 10 -0.910 -1.116 4.708 93 HD22 ASN 10 1HD2 ASN 10 -0.363 -2.197 3.475 94 H ARG 11 H ARG 11 -1.020 -7.272 2.846 95 HA ARG 11 HA ARG 11 -2.592 -8.460 4.928 96 HB2 ARG 11 2HB ARG 11 -2.977 -9.357 2.790 97 HB3 ARG 11 3HB ARG 11 -1.258 -9.505 2.447 98 HG2 ARG 11 2HG ARG 11 -1.060 -11.475 3.563 99 HG3 ARG 11 3HG ARG 11 -2.347 -11.084 4.706 100 HD2 ARG 11 2HD ARG 11 -3.632 -12.463 3.514 101 HD3 ARG 11 3HD ARG 11 -3.660 -11.197 2.287 102 HE ARG 11 HE ARG 11 -1.397 -12.585 1.725 103 HH11 ARG 11 1HH1 ARG 11 -4.735 -13.473 2.167 104 HH12 ARG 11 2HH1 ARG 11 -4.656 -14.820 1.080 105 HH21 ARG 11 2HH2 ARG 11 -2.690 -15.322 0.015 106 HH22 ARG 11 1HH2 ARG 11 -1.281 -14.356 0.292 107 H ARG 12 H ARG 12 0.766 -8.039 4.324 108 HA ARG 12 HA ARG 12 1.855 -10.230 5.672 109 HB2 ARG 12 2HB ARG 12 3.891 -9.016 5.746 110 HB3 ARG 12 3HB ARG 12 3.082 -8.519 4.266 111 HG2 ARG 12 2HG ARG 12 2.206 -6.536 5.594 112 HG3 ARG 12 3HG ARG 12 3.385 -6.989 6.827 113 HD2 ARG 12 2HD ARG 12 4.432 -6.834 4.083 114 HD3 ARG 12 3HD ARG 12 3.889 -5.302 4.767 115 HE ARG 12 HE ARG 12 5.438 -6.379 6.724 116 HH11 ARG 12 1HH1 ARG 12 5.922 -5.677 3.348 117 HH12 ARG 12 2HH1 ARG 12 7.621 -5.383 3.518 118 HH21 ARG 12 2HH2 ARG 12 8.617 -5.566 5.573 119 HH22 ARG 12 1HH2 ARG 12 7.674 -5.995 6.961 120 H MET 13 H MET 13 0.183 -7.481 6.866 121 HA MET 13 HA MET 13 0.973 -8.182 9.618 122 HB2 MET 13 2HB MET 13 0.024 -5.750 10.024 123 HB3 MET 13 3HB MET 13 1.683 -6.003 9.500 124 HG2 MET 13 2HG MET 13 1.032 -5.561 7.195 125 HG3 MET 13 3HG MET 13 -0.638 -5.330 7.707 126 HE1 MET 13 3HE MET 13 -1.561 -3.587 8.929 127 HE2 MET 13 1HE MET 13 -0.911 -1.956 9.101 128 HE3 MET 13 2HE MET 13 -1.306 -2.582 7.501 129 H LYS 14 H LYS 14 -1.586 -7.881 7.360 130 HA LYS 14 HA LYS 14 -3.697 -7.736 9.323 131 HB2 LYS 14 2HB LYS 14 -3.558 -7.061 6.693 132 HB3 LYS 14 3HB LYS 14 -4.355 -8.625 6.586 133 HG2 LYS 14 2HG LYS 14 -6.285 -7.766 7.250 134 HG3 LYS 14 3HG LYS 14 -5.536 -7.023 8.665 135 HD2 LYS 14 2HD LYS 14 -6.370 -5.199 7.484 136 HD3 LYS 14 3HD LYS 14 -4.673 -5.250 6.999 137 HE2 LYS 14 2HE LYS 14 -5.696 -6.819 5.099 138 HE3 LYS 14 3HE LYS 14 -7.124 -5.842 5.439 139 HZ1 LYS 14 3HZ LYS 14 -4.874 -5.157 3.917 140 HZ2 LYS 14 1HZ LYS 14 -4.925 -4.128 5.260 141 HZ3 LYS 14 2HZ LYS 14 -6.256 -4.230 4.221 142 H TRP 15 H TRP 15 -2.011 -9.875 9.866 143 HA TRP 15 HA TRP 15 -3.638 -12.210 9.107 144 HB2 TRP 15 2HB TRP 15 -0.745 -11.801 9.407 145 HB3 TRP 15 3HB TRP 15 -1.347 -13.254 10.200 146 HD1 TRP 15 HD1 TRP 15 0.106 -12.327 7.065 147 HE1 TRP 15 HE1 TRP 15 -0.561 -13.930 5.164 148 HE3 TRP 15 HE3 TRP 15 -3.865 -14.637 9.307 149 HZ2 TRP 15 HZ2 TRP 15 -2.513 -15.910 4.680 150 HZ3 TRP 15 HZ3 TRP 15 -5.079 -16.374 8.057 151 HH2 TRP 15 HH2 TRP 15 -4.416 -16.995 5.791 152 H LYS 16 H LYS 16 -2.321 -10.359 11.745 153 HA LYS 16 HA LYS 16 -2.688 -12.139 13.860 154 HB2 LYS 16 2HB LYS 16 -2.833 -10.117 15.289 155 HB3 LYS 16 3HB LYS 16 -1.481 -10.065 14.165 156 HG2 LYS 16 2HG LYS 16 -2.239 -7.975 13.814 157 HG3 LYS 16 3HG LYS 16 -3.322 -8.799 12.690 158 HD2 LYS 16 2HD LYS 16 -4.776 -7.470 13.915 159 HD3 LYS 16 3HD LYS 16 -4.885 -9.024 14.744 160 HE2 LYS 16 2HE LYS 16 -4.694 -7.264 16.378 161 HE3 LYS 16 3HE LYS 16 -3.214 -8.222 16.382 162 HZ1 LYS 16 3HZ LYS 16 -2.007 -6.531 15.463 163 HZ2 LYS 16 1HZ LYS 16 -3.118 -5.632 16.368 164 HZ3 LYS 16 2HZ LYS 16 -3.339 -5.820 14.702 165 H LYS 17 H LYS 17 -4.989 -10.324 12.014 166 HA LYS 17 HA LYS 17 -7.129 -10.694 13.934 167 HB2 LYS 17 2HB LYS 17 -6.649 -8.997 11.690 168 HB3 LYS 17 3HB LYS 17 -8.129 -9.898 11.389 169 HG2 LYS 17 2HG LYS 17 -9.097 -9.099 13.437 170 HG3 LYS 17 3HG LYS 17 -7.582 -8.316 13.891 171 HD2 LYS 17 2HD LYS 17 -7.922 -6.561 12.504 172 HD3 LYS 17 3HD LYS 17 -8.690 -7.556 11.264 173 HE2 LYS 17 2HE LYS 17 -10.719 -7.670 12.685 174 HE3 LYS 17 3HE LYS 17 -9.945 -6.571 13.825 175 HZ1 LYS 17 3HZ LYS 17 -11.531 -5.673 11.980 176 HZ2 LYS 17 1HZ LYS 17 -10.148 -5.770 11.010 177 HZ3 LYS 17 2HZ LYS 17 -10.139 -4.811 12.403 Start of MODEL 4 1 H1 ASP 1 H ASP 1 3.766 -2.870 -0.939 2 HA ASP 1 HA ASP 1 3.521 -0.015 -1.058 3 HB2 ASP 1 2HB ASP 1 4.714 -1.956 0.699 4 HB3 ASP 1 3HB ASP 1 5.884 -0.692 0.328 5 H ARG 2 H ARG 2 4.687 -1.873 -3.309 6 HA ARG 2 HA ARG 2 7.019 -0.159 -3.869 7 HB2 ARG 2 2HB ARG 2 7.789 -2.408 -3.500 8 HB3 ARG 2 3HB ARG 2 6.559 -3.058 -4.576 9 HG2 ARG 2 2HG ARG 2 7.734 -2.570 -6.439 10 HG3 ARG 2 3HG ARG 2 8.408 -1.088 -5.756 11 HD2 ARG 2 2HD ARG 2 9.937 -2.428 -4.385 12 HD3 ARG 2 3HD ARG 2 9.268 -3.901 -5.087 13 HE ARG 2 HE ARG 2 10.291 -2.056 -7.037 14 HH11 ARG 2 1HH1 ARG 2 11.087 -4.658 -4.866 15 HH12 ARG 2 2HH1 ARG 2 12.486 -5.151 -5.761 16 HH21 ARG 2 2HH2 ARG 2 13.079 -4.034 -7.671 17 HH22 ARG 2 1HH2 ARG 2 12.130 -2.696 -8.225 18 H GLN 3 H GLN 3 5.187 -2.452 -5.867 19 HA GLN 3 HA GLN 3 4.560 -0.225 -7.691 20 HB2 GLN 3 2HB GLN 3 6.240 -1.671 -8.687 21 HB3 GLN 3 3HB GLN 3 5.244 -3.087 -8.379 22 HG2 GLN 3 2HG GLN 3 4.256 -2.839 -10.336 23 HG3 GLN 3 3HG GLN 3 3.702 -1.231 -9.871 24 HE21 GLN 3 2HE2 GLN 3 5.838 0.429 -12.009 25 HE22 GLN 3 1HE2 GLN 3 4.495 0.462 -10.923 26 H ILE 4 H ILE 4 3.551 -3.629 -7.583 27 HA ILE 4 HA ILE 4 0.757 -2.705 -7.591 28 HB ILE 4 HB ILE 4 0.176 -4.886 -8.546 29 HG12 ILE 4 2HG1 ILE 4 3.152 -5.391 -8.711 30 HG13 ILE 4 3HG1 ILE 4 2.100 -6.115 -7.500 31 HG21 ILE 4 1HG2 ILE 4 0.513 -3.193 -10.144 32 HG22 ILE 4 2HG2 ILE 4 2.265 -3.259 -9.963 33 HG23 ILE 4 3HG2 ILE 4 1.409 -4.586 -10.748 34 HD11 ILE 4 3HD1 ILE 4 2.344 -6.690 -10.395 35 HD12 ILE 4 1HD1 ILE 4 2.141 -7.789 -9.031 36 HD13 ILE 4 2HD1 ILE 4 0.760 -6.877 -9.642 37 H LYS 5 H LYS 5 3.110 -4.503 -5.836 38 HA LYS 5 HA LYS 5 1.526 -6.232 -4.336 39 HB2 LYS 5 2HB LYS 5 3.333 -6.130 -2.646 40 HB3 LYS 5 3HB LYS 5 3.942 -6.366 -4.279 41 HG2 LYS 5 2HG LYS 5 4.985 -4.363 -4.329 42 HG3 LYS 5 3HG LYS 5 3.761 -3.575 -3.330 43 HD2 LYS 5 2HD LYS 5 5.516 -3.622 -1.859 44 HD3 LYS 5 3HD LYS 5 4.745 -5.161 -1.469 45 HE2 LYS 5 2HE LYS 5 6.336 -6.379 -2.730 46 HE3 LYS 5 3HE LYS 5 6.962 -4.916 -3.488 47 HZ1 LYS 5 3HZ LYS 5 8.239 -4.439 -1.717 48 HZ2 LYS 5 1HZ LYS 5 8.108 -6.096 -1.402 49 HZ3 LYS 5 2HZ LYS 5 7.108 -4.999 -0.590 50 H ILE 6 H ILE 6 1.758 -2.807 -4.239 51 HA ILE 6 HA ILE 6 1.133 -2.159 -1.636 52 HB ILE 6 HB ILE 6 0.088 -0.129 -2.479 53 HG12 ILE 6 2HG1 ILE 6 0.198 -0.063 -5.164 54 HG13 ILE 6 3HG1 ILE 6 -0.162 -1.771 -4.942 55 HG21 ILE 6 1HG2 ILE 6 2.287 0.336 -2.588 56 HG22 ILE 6 2HG2 ILE 6 2.657 -1.125 -3.503 57 HG23 ILE 6 3HG2 ILE 6 2.014 0.294 -4.329 58 HD11 ILE 6 3HD1 ILE 6 -2.284 -1.347 -4.465 59 HD12 ILE 6 1HD1 ILE 6 -1.854 -0.089 -3.306 60 HD13 ILE 6 2HD1 ILE 6 -1.980 0.298 -5.023 61 H TRP 7 H TRP 7 -0.942 -3.483 -4.124 62 HA TRP 7 HA TRP 7 -3.394 -3.020 -2.735 63 HB2 TRP 7 2HB TRP 7 -3.031 -3.455 -5.257 64 HB3 TRP 7 3HB TRP 7 -2.995 -5.159 -4.813 65 HD1 TRP 7 HD1 TRP 7 -5.290 -6.263 -3.983 66 HE1 TRP 7 HE1 TRP 7 -7.743 -5.541 -4.271 67 HE3 TRP 7 HE3 TRP 7 -4.545 -1.403 -5.382 68 HZ2 TRP 7 HZ2 TRP 7 -9.174 -3.218 -4.997 69 HZ3 TRP 7 HZ3 TRP 7 -6.509 0.002 -5.856 70 HH2 TRP 7 HH2 TRP 7 -8.775 -0.889 -5.667 71 H PHE 8 H PHE 8 -1.464 -5.962 -3.318 72 HA PHE 8 HA PHE 8 -2.999 -7.668 -1.711 73 HB2 PHE 8 2HB PHE 8 -0.532 -7.805 -3.174 74 HB3 PHE 8 3HB PHE 8 -0.316 -8.556 -1.597 75 HD1 PHE 8 HD1 PHE 8 -0.859 -10.775 -1.357 76 HD2 PHE 8 HD2 PHE 8 -2.731 -8.512 -4.437 77 HE1 PHE 8 HE1 PHE 8 -1.968 -12.813 -2.175 78 HE2 PHE 8 HE2 PHE 8 -3.844 -10.546 -5.260 79 HZ PHE 8 HZ PHE 8 -3.464 -12.700 -4.128 80 H GLN 9 H GLN 9 -0.792 -5.193 -0.876 81 HA GLN 9 HA GLN 9 0.032 -6.188 1.658 82 HB2 GLN 9 2HB GLN 9 1.430 -4.527 0.817 83 HB3 GLN 9 3HB GLN 9 0.086 -3.507 0.322 84 HG2 GLN 9 2HG GLN 9 -0.381 -2.955 2.636 85 HG3 GLN 9 3HG GLN 9 0.915 -4.026 3.168 86 HE21 GLN 9 2HE2 GLN 9 2.016 -0.437 3.005 87 HE22 GLN 9 1HE2 GLN 9 0.633 -1.217 3.686 88 H ASN 10 H ASN 10 -2.815 -4.617 0.507 89 HA ASN 10 HA ASN 10 -3.751 -3.424 2.858 90 HB2 ASN 10 2HB ASN 10 -5.160 -4.564 0.452 91 HB3 ASN 10 3HB ASN 10 -6.052 -3.841 1.787 92 HD21 ASN 10 2HD2 ASN 10 -5.757 -1.063 -0.423 93 HD22 ASN 10 1HD2 ASN 10 -6.703 -2.477 -0.121 94 H ARG 11 H ARG 11 -3.276 -6.690 2.133 95 HA ARG 11 HA ARG 11 -5.029 -7.490 4.364 96 HB2 ARG 11 2HB ARG 11 -5.269 -9.675 3.303 97 HB3 ARG 11 3HB ARG 11 -5.806 -8.398 2.219 98 HG2 ARG 11 2HG ARG 11 -4.147 -8.773 0.727 99 HG3 ARG 11 3HG ARG 11 -2.990 -9.256 1.969 100 HD2 ARG 11 2HD ARG 11 -3.599 -11.139 0.534 101 HD3 ARG 11 3HD ARG 11 -4.115 -11.404 2.199 102 HE ARG 11 HE ARG 11 -6.256 -10.262 0.850 103 HH11 ARG 11 1HH1 ARG 11 -4.368 -13.184 0.723 104 HH12 ARG 11 2HH1 ARG 11 -5.667 -14.151 0.107 105 HH21 ARG 11 2HH2 ARG 11 -7.717 -13.206 -0.283 106 HH22 ARG 11 1HH2 ARG 11 -7.974 -11.524 0.039 107 H ARG 12 H ARG 12 -2.160 -6.618 4.273 108 HA ARG 12 HA ARG 12 -0.979 -9.045 5.458 109 HB2 ARG 12 2HB ARG 12 0.497 -6.783 4.100 110 HB3 ARG 12 3HB ARG 12 1.213 -8.245 4.765 111 HG2 ARG 12 2HG ARG 12 -0.855 -8.405 2.610 112 HG3 ARG 12 3HG ARG 12 0.836 -8.078 2.224 113 HD2 ARG 12 2HD ARG 12 1.202 -10.168 3.821 114 HD3 ARG 12 3HD ARG 12 -0.437 -10.541 3.287 115 HE ARG 12 HE ARG 12 1.183 -9.914 1.063 116 HH11 ARG 12 1HH1 ARG 12 0.653 -12.416 3.424 117 HH12 ARG 12 2HH1 ARG 12 1.203 -13.691 2.388 118 HH21 ARG 12 2HH2 ARG 12 1.918 -13.216 0.264 119 HH22 ARG 12 1HH2 ARG 12 1.909 -11.583 -0.311 120 H MET 13 H MET 13 -1.450 -5.582 5.701 121 HA MET 13 HA MET 13 0.184 -4.855 7.762 122 HB2 MET 13 2HB MET 13 -1.996 -3.471 8.479 123 HB3 MET 13 3HB MET 13 -1.019 -3.050 7.078 124 HG2 MET 13 2HG MET 13 -2.598 -3.716 5.596 125 HG3 MET 13 3HG MET 13 -3.220 -4.978 6.657 126 HE1 MET 13 3HE MET 13 -2.734 -1.446 5.931 127 HE2 MET 13 1HE MET 13 -4.410 -0.943 5.716 128 HE3 MET 13 2HE MET 13 -3.572 -0.592 7.227 129 H LYS 14 H LYS 14 -3.229 -5.524 8.477 130 HA LYS 14 HA LYS 14 -2.675 -6.187 11.183 131 HB2 LYS 14 2HB LYS 14 -5.165 -6.670 9.536 132 HB3 LYS 14 3HB LYS 14 -5.062 -6.817 11.286 133 HG2 LYS 14 2HG LYS 14 -4.125 -4.296 10.909 134 HG3 LYS 14 3HG LYS 14 -5.305 -4.434 9.603 135 HD2 LYS 14 2HD LYS 14 -6.073 -5.351 12.333 136 HD3 LYS 14 3HD LYS 14 -6.017 -3.617 12.005 137 HE2 LYS 14 2HE LYS 14 -7.351 -4.729 9.822 138 HE3 LYS 14 3HE LYS 14 -7.989 -5.579 11.228 139 HZ1 LYS 14 3HZ LYS 14 -7.788 -2.790 11.727 140 HZ2 LYS 14 1HZ LYS 14 -9.145 -3.797 11.812 141 HZ3 LYS 14 2HZ LYS 14 -8.715 -3.080 10.342 142 H TRP 15 H TRP 15 -2.353 -7.940 8.337 143 HA TRP 15 HA TRP 15 -3.046 -10.534 9.328 144 HB2 TRP 15 2HB TRP 15 -2.384 -9.420 6.828 145 HB3 TRP 15 3HB TRP 15 -1.145 -10.627 7.160 146 HD1 TRP 15 HD1 TRP 15 -1.756 -13.038 6.542 147 HE1 TRP 15 HE1 TRP 15 -3.928 -14.296 5.972 148 HE3 TRP 15 HE3 TRP 15 -5.125 -9.314 7.497 149 HZ2 TRP 15 HZ2 TRP 15 -6.703 -13.778 5.933 150 HZ3 TRP 15 HZ3 TRP 15 -7.519 -9.777 7.168 151 HH2 TRP 15 HH2 TRP 15 -8.290 -11.963 6.402 152 H LYS 16 H LYS 16 -0.434 -8.469 9.846 153 HA LYS 16 HA LYS 16 1.789 -10.097 9.960 154 HB2 LYS 16 2HB LYS 16 2.735 -8.523 11.496 155 HB3 LYS 16 3HB LYS 16 1.729 -7.625 10.367 156 HG2 LYS 16 2HG LYS 16 -0.056 -8.092 12.331 157 HG3 LYS 16 3HG LYS 16 1.439 -8.016 13.266 158 HD2 LYS 16 2HD LYS 16 1.201 -5.910 11.252 159 HD3 LYS 16 3HD LYS 16 -0.061 -5.859 12.485 160 HE2 LYS 16 2HE LYS 16 1.784 -6.034 14.200 161 HE3 LYS 16 3HE LYS 16 2.922 -5.764 12.881 162 HZ1 LYS 16 3HZ LYS 16 2.601 -3.605 13.164 163 HZ2 LYS 16 1HZ LYS 16 1.390 -3.872 14.315 164 HZ3 LYS 16 2HZ LYS 16 0.993 -3.790 12.673 165 H LYS 17 H LYS 17 -0.887 -9.852 12.214 166 HA LYS 17 HA LYS 17 0.240 -11.256 14.368 167 HB2 LYS 17 2HB LYS 17 -1.983 -11.489 15.202 168 HB3 LYS 17 3HB LYS 17 -1.894 -9.925 14.402 169 HG2 LYS 17 2HG LYS 17 -3.758 -10.529 13.352 170 HG3 LYS 17 3HG LYS 17 -2.732 -11.593 12.387 171 HD2 LYS 17 2HD LYS 17 -3.095 -13.235 14.411 172 HD3 LYS 17 3HD LYS 17 -4.529 -12.241 14.677 173 HE2 LYS 17 2HE LYS 17 -5.033 -12.629 12.201 174 HE3 LYS 17 3HE LYS 17 -3.815 -13.900 12.276 175 HZ1 LYS 17 3HZ LYS 17 -5.893 -14.917 12.660 176 HZ2 LYS 17 1HZ LYS 17 -6.360 -13.743 13.785 177 HZ3 LYS 17 2HZ LYS 17 -5.133 -14.841 14.170 Start of MODEL 5 1 H1 ASP 1 H ASP 1 4.495 -6.977 -4.365 2 HA ASP 1 HA ASP 1 6.181 -7.626 -6.644 3 HB2 ASP 1 2HB ASP 1 3.512 -7.404 -7.120 4 HB3 ASP 1 3HB ASP 1 4.026 -5.732 -7.333 5 H ARG 2 H ARG 2 6.206 -5.164 -7.880 6 HA ARG 2 HA ARG 2 7.211 -3.408 -5.737 7 HB2 ARG 2 2HB ARG 2 8.265 -4.034 -8.468 8 HB3 ARG 2 3HB ARG 2 8.605 -2.465 -7.751 9 HG2 ARG 2 2HG ARG 2 9.407 -3.856 -5.713 10 HG3 ARG 2 3HG ARG 2 9.500 -5.176 -6.881 11 HD2 ARG 2 2HD ARG 2 11.514 -4.412 -7.438 12 HD3 ARG 2 3HD ARG 2 10.703 -3.023 -8.161 13 HE ARG 2 HE ARG 2 10.946 -2.394 -5.509 14 HH11 ARG 2 1HH1 ARG 2 13.138 -3.282 -8.064 15 HH12 ARG 2 2HH1 ARG 2 14.464 -2.371 -7.420 16 HH21 ARG 2 2HH2 ARG 2 14.205 -1.184 -5.478 17 HH22 ARG 2 1HH2 ARG 2 12.684 -1.192 -4.651 18 H GLN 3 H GLN 3 5.366 -3.621 -8.702 19 HA GLN 3 HA GLN 3 4.945 -0.806 -8.977 20 HB2 GLN 3 2HB GLN 3 4.736 -2.745 -10.739 21 HB3 GLN 3 3HB GLN 3 3.082 -2.831 -10.149 22 HG2 GLN 3 2HG GLN 3 2.492 -1.079 -11.360 23 HG3 GLN 3 3HG GLN 3 3.800 -0.107 -10.687 24 HE21 GLN 3 2HE2 GLN 3 6.044 -0.748 -13.356 25 HE22 GLN 3 1HE2 GLN 3 5.957 -0.458 -11.655 26 H ILE 4 H ILE 4 2.725 -3.461 -8.103 27 HA ILE 4 HA ILE 4 1.211 -1.518 -6.484 28 HB ILE 4 HB ILE 4 -0.749 -3.151 -6.906 29 HG12 ILE 4 2HG1 ILE 4 0.932 -3.757 -9.346 30 HG13 ILE 4 3HG1 ILE 4 0.715 -4.869 -7.999 31 HG21 ILE 4 1HG2 ILE 4 -0.216 -0.769 -7.873 32 HG22 ILE 4 2HG2 ILE 4 -0.018 -1.663 -9.379 33 HG23 ILE 4 3HG2 ILE 4 -1.552 -1.726 -8.512 34 HD11 ILE 4 3HD1 ILE 4 -1.680 -3.781 -9.393 35 HD12 ILE 4 1HD1 ILE 4 -0.748 -5.079 -10.139 36 HD13 ILE 4 2HD1 ILE 4 -1.467 -5.312 -8.545 37 H LYS 5 H LYS 5 2.604 -2.158 -4.711 38 HA LYS 5 HA LYS 5 2.104 -4.859 -3.675 39 HB2 LYS 5 2HB LYS 5 3.999 -4.465 -2.187 40 HB3 LYS 5 3HB LYS 5 4.458 -4.186 -3.861 41 HG2 LYS 5 2HG LYS 5 4.290 -1.788 -3.535 42 HG3 LYS 5 3HG LYS 5 3.756 -2.037 -1.871 43 HD2 LYS 5 2HD LYS 5 5.843 -2.439 -1.134 44 HD3 LYS 5 3HD LYS 5 6.270 -3.385 -2.562 45 HE2 LYS 5 2HE LYS 5 6.716 -1.407 -3.824 46 HE3 LYS 5 3HE LYS 5 6.051 -0.380 -2.554 47 HZ1 LYS 5 3HZ LYS 5 8.626 -1.792 -2.641 48 HZ2 LYS 5 1HZ LYS 5 7.908 -1.485 -1.140 49 HZ3 LYS 5 2HZ LYS 5 8.289 -0.202 -2.174 50 H ILE 6 H ILE 6 1.720 -1.452 -2.939 51 HA ILE 6 HA ILE 6 0.946 -1.668 -0.252 52 HB ILE 6 HB ILE 6 -0.178 0.513 -0.575 53 HG12 ILE 6 2HG1 ILE 6 0.616 1.266 -3.139 54 HG13 ILE 6 3HG1 ILE 6 -0.072 -0.340 -3.352 55 HG21 ILE 6 1HG2 ILE 6 1.966 0.995 -0.068 56 HG22 ILE 6 2HG2 ILE 6 2.612 -0.057 -1.326 57 HG23 ILE 6 3HG2 ILE 6 2.018 1.551 -1.741 58 HD11 ILE 6 3HD1 ILE 6 -1.578 1.652 -1.743 59 HD12 ILE 6 1HD1 ILE 6 -1.558 1.810 -3.500 60 HD13 ILE 6 2HD1 ILE 6 -2.168 0.333 -2.754 61 H TRP 7 H TRP 7 -0.834 -2.131 -3.231 62 HA TRP 7 HA TRP 7 -3.434 -2.097 -2.101 63 HB2 TRP 7 2HB TRP 7 -2.811 -1.878 -4.564 64 HB3 TRP 7 3HB TRP 7 -2.619 -3.629 -4.569 65 HD1 TRP 7 HD1 TRP 7 -5.299 -0.910 -4.346 66 HE1 TRP 7 HE1 TRP 7 -7.600 -1.984 -4.768 67 HE3 TRP 7 HE3 TRP 7 -3.904 -5.828 -4.381 68 HZ2 TRP 7 HZ2 TRP 7 -8.680 -4.574 -5.075 69 HZ3 TRP 7 HZ3 TRP 7 -5.631 -7.541 -4.745 70 HH2 TRP 7 HH2 TRP 7 -7.970 -6.926 -5.084 71 H PHE 8 H PHE 8 -1.381 -4.825 -3.141 72 HA PHE 8 HA PHE 8 -3.078 -6.810 -2.045 73 HB2 PHE 8 2HB PHE 8 -0.562 -6.710 -3.469 74 HB3 PHE 8 3HB PHE 8 -0.491 -7.886 -2.161 75 HD1 PHE 8 HD1 PHE 8 -1.388 -7.370 -5.506 76 HD2 PHE 8 HD2 PHE 8 -2.567 -9.493 -2.011 77 HE1 PHE 8 HE1 PHE 8 -2.607 -8.987 -6.904 78 HE2 PHE 8 HE2 PHE 8 -3.787 -11.114 -3.402 79 HZ PHE 8 HZ PHE 8 -3.807 -10.863 -5.852 80 H GLN 9 H GLN 9 -0.623 -4.792 -0.702 81 HA GLN 9 HA GLN 9 0.238 -6.303 1.470 82 HB2 GLN 9 2HB GLN 9 1.433 -4.338 1.139 83 HB3 GLN 9 3HB GLN 9 -0.021 -3.363 0.965 84 HG2 GLN 9 2HG GLN 9 -0.290 -3.104 3.209 85 HG3 GLN 9 3HG GLN 9 0.485 -4.641 3.592 86 HE21 GLN 9 2HE2 GLN 9 2.906 -2.306 4.791 87 HE22 GLN 9 1HE2 GLN 9 1.422 -3.074 5.228 88 H ASN 10 H ASN 10 -2.783 -4.704 0.909 89 HA ASN 10 HA ASN 10 -3.688 -4.428 3.552 90 HB2 ASN 10 2HB ASN 10 -4.986 -4.575 0.872 91 HB3 ASN 10 3HB ASN 10 -6.007 -4.780 2.291 92 HD21 ASN 10 2HD2 ASN 10 -5.132 -1.152 1.099 93 HD22 ASN 10 1HD2 ASN 10 -5.072 -2.590 0.144 94 H ARG 11 H ARG 11 -3.020 -7.209 1.777 95 HA ARG 11 HA ARG 11 -4.954 -8.875 3.185 96 HB2 ARG 11 2HB ARG 11 -4.740 -9.525 0.939 97 HB3 ARG 11 3HB ARG 11 -2.989 -9.367 0.967 98 HG2 ARG 11 2HG ARG 11 -2.675 -11.424 1.867 99 HG3 ARG 11 3HG ARG 11 -4.189 -11.379 2.774 100 HD2 ARG 11 2HD ARG 11 -5.254 -12.491 1.169 101 HD3 ARG 11 3HD ARG 11 -4.705 -11.348 -0.056 102 HE ARG 11 HE ARG 11 -2.573 -13.038 0.545 103 HH11 ARG 11 1HH1 ARG 11 -5.746 -13.221 -0.875 104 HH12 ARG 11 2HH1 ARG 11 -5.352 -14.559 -1.903 105 HH21 ARG 11 2HH2 ARG 11 -3.244 -15.456 -1.861 106 HH22 ARG 11 1HH2 ARG 11 -2.041 -14.799 -0.804 107 H ARG 12 H ARG 12 -1.629 -7.951 3.333 108 HA ARG 12 HA ARG 12 -1.153 -9.979 5.417 109 HB2 ARG 12 2HB ARG 12 1.250 -9.715 4.932 110 HB3 ARG 12 3HB ARG 12 0.347 -10.262 3.526 111 HG2 ARG 12 2HG ARG 12 0.754 -8.376 2.357 112 HG3 ARG 12 3HG ARG 12 0.708 -7.347 3.790 113 HD2 ARG 12 2HD ARG 12 2.945 -9.174 3.875 114 HD3 ARG 12 3HD ARG 12 2.968 -8.204 2.403 115 HE ARG 12 HE ARG 12 2.471 -6.472 4.514 116 HH11 ARG 12 1HH1 ARG 12 5.013 -8.598 3.449 117 HH12 ARG 12 2HH1 ARG 12 6.279 -7.655 4.163 118 HH21 ARG 12 2HH2 ARG 12 5.775 -5.735 5.306 119 HH22 ARG 12 1HH2 ARG 12 4.128 -5.221 5.458 120 H MET 13 H MET 13 -2.519 -7.928 6.352 121 HA MET 13 HA MET 13 -0.516 -6.217 7.674 122 HB2 MET 13 2HB MET 13 -2.798 -4.799 7.987 123 HB3 MET 13 3HB MET 13 -1.670 -4.557 6.660 124 HG2 MET 13 2HG MET 13 -3.023 -5.618 5.133 125 HG3 MET 13 3HG MET 13 -3.873 -6.541 6.371 126 HE1 MET 13 3HE MET 13 -6.386 -4.651 7.853 127 HE2 MET 13 1HE MET 13 -6.888 -5.415 6.345 128 HE3 MET 13 2HE MET 13 -5.665 -6.183 7.357 129 H LYS 14 H LYS 14 -3.964 -6.815 8.282 130 HA LYS 14 HA LYS 14 -3.364 -7.261 11.096 131 HB2 LYS 14 2HB LYS 14 -5.809 -6.630 9.514 132 HB3 LYS 14 3HB LYS 14 -6.017 -7.475 11.042 133 HG2 LYS 14 2HG LYS 14 -6.084 -5.423 11.920 134 HG3 LYS 14 3HG LYS 14 -4.327 -5.478 11.768 135 HD2 LYS 14 2HD LYS 14 -4.668 -4.521 9.428 136 HD3 LYS 14 3HD LYS 14 -6.325 -4.181 9.933 137 HE2 LYS 14 2HE LYS 14 -5.314 -2.198 10.471 138 HE3 LYS 14 3HE LYS 14 -5.122 -3.072 11.990 139 HZ1 LYS 14 3HZ LYS 14 -3.114 -1.867 10.796 140 HZ2 LYS 14 1HZ LYS 14 -2.998 -3.361 10.011 141 HZ3 LYS 14 2HZ LYS 14 -2.901 -3.282 11.698 142 H TRP 15 H TRP 15 -3.074 -9.196 8.632 143 HA TRP 15 HA TRP 15 -4.749 -11.380 8.949 144 HB2 TRP 15 2HB TRP 15 -2.761 -10.866 7.265 145 HB3 TRP 15 3HB TRP 15 -1.860 -11.877 8.390 146 HD1 TRP 15 HD1 TRP 15 -2.004 -14.407 7.984 147 HE1 TRP 15 HE1 TRP 15 -3.491 -15.956 6.564 148 HE3 TRP 15 HE3 TRP 15 -5.405 -10.969 6.325 149 HZ2 TRP 15 HZ2 TRP 15 -5.800 -15.747 4.954 150 HZ3 TRP 15 HZ3 TRP 15 -7.222 -11.725 4.848 151 HH2 TRP 15 HH2 TRP 15 -7.413 -14.065 4.178 152 H LYS 16 H LYS 16 -1.973 -10.396 10.841 153 HA LYS 16 HA LYS 16 -1.502 -12.778 12.236 154 HB2 LYS 16 2HB LYS 16 -0.482 -11.308 13.972 155 HB3 LYS 16 3HB LYS 16 0.091 -10.978 12.342 156 HG2 LYS 16 2HG LYS 16 -2.166 -9.326 12.843 157 HG3 LYS 16 3HG LYS 16 -1.054 -9.187 14.207 158 HD2 LYS 16 2HD LYS 16 0.085 -9.092 11.462 159 HD3 LYS 16 3HD LYS 16 -0.808 -7.682 12.038 160 HE2 LYS 16 2HE LYS 16 1.150 -8.815 13.926 161 HE3 LYS 16 3HE LYS 16 1.829 -8.091 12.469 162 HZ1 LYS 16 3HZ LYS 16 1.146 -6.733 14.693 163 HZ2 LYS 16 1HZ LYS 16 -0.220 -6.500 13.722 164 HZ3 LYS 16 2HZ LYS 16 1.308 -6.046 13.156 165 H LYS 17 H LYS 17 -3.958 -10.341 12.603 166 HA LYS 17 HA LYS 17 -4.831 -11.413 15.167 167 HB2 LYS 17 2HB LYS 17 -5.976 -9.172 13.490 168 HB3 LYS 17 3HB LYS 17 -6.491 -9.599 15.116 169 HG2 LYS 17 2HG LYS 17 -3.647 -8.860 14.552 170 HG3 LYS 17 3HG LYS 17 -4.880 -7.623 14.805 171 HD2 LYS 17 2HD LYS 17 -5.449 -8.919 16.951 172 HD3 LYS 17 3HD LYS 17 -3.890 -9.714 16.718 173 HE2 LYS 17 2HE LYS 17 -2.706 -7.836 17.210 174 HE3 LYS 17 3HE LYS 17 -3.932 -6.758 16.544 175 HZ1 LYS 17 3HZ LYS 17 -5.061 -6.683 18.494 176 HZ2 LYS 17 1HZ LYS 17 -3.515 -6.962 19.121 177 HZ3 LYS 17 2HZ LYS 17 -4.609 -8.242 18.968 Start of MODEL 6 1 H1 ASP 1 H ASP 1 7.802 -3.055 -7.678 2 HA ASP 1 HA ASP 1 6.143 -4.179 -6.054 3 HB2 ASP 1 2HB ASP 1 8.732 -3.007 -5.594 4 HB3 ASP 1 3HB ASP 1 7.752 -2.879 -4.136 5 H ARG 2 H ARG 2 5.389 -1.253 -6.930 6 HA ARG 2 HA ARG 2 4.085 -0.537 -4.386 7 HB2 ARG 2 2HB ARG 2 5.231 1.149 -6.582 8 HB3 ARG 2 3HB ARG 2 3.914 1.777 -5.600 9 HG2 ARG 2 2HG ARG 2 5.612 0.854 -3.690 10 HG3 ARG 2 3HG ARG 2 6.737 1.387 -4.941 11 HD2 ARG 2 2HD ARG 2 5.888 3.590 -4.901 12 HD3 ARG 2 3HD ARG 2 4.469 3.106 -3.974 13 HE ARG 2 HE ARG 2 6.597 2.499 -2.366 14 HH11 ARG 2 1HH1 ARG 2 5.425 5.369 -3.950 15 HH12 ARG 2 2HH1 ARG 2 6.048 6.446 -2.745 16 HH21 ARG 2 2HH2 ARG 2 7.184 5.614 -0.938 17 HH22 ARG 2 1HH2 ARG 2 7.421 3.907 -0.772 18 H GLN 3 H GLN 3 3.650 -1.432 -7.658 19 HA GLN 3 HA GLN 3 1.151 -0.293 -8.217 20 HB2 GLN 3 2HB GLN 3 2.596 -1.378 -9.905 21 HB3 GLN 3 3HB GLN 3 2.245 -2.942 -9.181 22 HG2 GLN 3 2HG GLN 3 -0.257 -1.978 -9.643 23 HG3 GLN 3 3HG GLN 3 0.646 -1.303 -10.998 24 HE21 GLN 3 2HE2 GLN 3 0.004 -4.273 -12.674 25 HE22 GLN 3 1HE2 GLN 3 -0.238 -2.565 -12.568 26 H ILE 4 H ILE 4 1.662 -3.744 -7.501 27 HA ILE 4 HA ILE 4 -0.890 -3.710 -6.026 28 HB ILE 4 HB ILE 4 -1.164 -6.070 -6.624 29 HG12 ILE 4 2HG1 ILE 4 0.581 -6.431 -8.775 30 HG13 ILE 4 3HG1 ILE 4 1.585 -5.742 -7.504 31 HG21 ILE 4 1HG2 ILE 4 -2.281 -4.561 -8.051 32 HG22 ILE 4 2HG2 ILE 4 -0.787 -4.114 -8.874 33 HG23 ILE 4 3HG2 ILE 4 -1.479 -5.718 -9.114 34 HD11 ILE 4 3HD1 ILE 4 -0.211 -8.097 -7.032 35 HD12 ILE 4 1HD1 ILE 4 1.444 -8.262 -7.616 36 HD13 ILE 4 2HD1 ILE 4 1.132 -7.524 -6.044 37 H LYS 5 H LYS 5 2.462 -4.500 -5.949 38 HA LYS 5 HA LYS 5 2.646 -6.421 -3.984 39 HB2 LYS 5 2HB LYS 5 4.384 -4.422 -5.135 40 HB3 LYS 5 3HB LYS 5 4.693 -4.584 -3.411 41 HG2 LYS 5 2HG LYS 5 6.104 -6.182 -4.170 42 HG3 LYS 5 3HG LYS 5 4.643 -7.164 -4.034 43 HD2 LYS 5 2HD LYS 5 4.351 -6.164 -6.534 44 HD3 LYS 5 3HD LYS 5 6.110 -6.265 -6.424 45 HE2 LYS 5 2HE LYS 5 5.754 -8.383 -7.117 46 HE3 LYS 5 3HE LYS 5 5.443 -8.662 -5.404 47 HZ1 LYS 5 3HZ LYS 5 3.669 -9.622 -6.621 48 HZ2 LYS 5 1HZ LYS 5 3.442 -8.225 -7.548 49 HZ3 LYS 5 2HZ LYS 5 3.055 -8.219 -5.902 50 H ILE 6 H ILE 6 2.919 -2.914 -3.371 51 HA ILE 6 HA ILE 6 2.704 -3.098 -0.586 52 HB ILE 6 HB ILE 6 2.139 -0.693 -0.632 53 HG12 ILE 6 2HG1 ILE 6 2.503 0.018 -3.297 54 HG13 ILE 6 3HG1 ILE 6 1.416 -1.365 -3.371 55 HG21 ILE 6 1HG2 ILE 6 4.451 -1.890 -2.003 56 HG22 ILE 6 2HG2 ILE 6 4.210 -0.166 -2.280 57 HG23 ILE 6 3HG2 ILE 6 4.390 -0.778 -0.636 58 HD11 ILE 6 3HD1 ILE 6 0.876 0.901 -1.500 59 HD12 ILE 6 1HD1 ILE 6 0.421 0.997 -3.201 60 HD13 ILE 6 2HD1 ILE 6 -0.245 -0.278 -2.181 61 H TRP 7 H TRP 7 0.266 -2.943 -3.089 62 HA TRP 7 HA TRP 7 -1.949 -2.259 -1.506 63 HB2 TRP 7 2HB TRP 7 -1.877 -2.300 -4.018 64 HB3 TRP 7 3HB TRP 7 -1.976 -4.056 -3.937 65 HD1 TRP 7 HD1 TRP 7 -4.304 -5.074 -2.873 66 HE1 TRP 7 HE1 TRP 7 -6.698 -4.134 -2.972 67 HE3 TRP 7 HE3 TRP 7 -3.223 -0.224 -4.076 68 HZ2 TRP 7 HZ2 TRP 7 -7.961 -1.664 -3.492 69 HZ3 TRP 7 HZ3 TRP 7 -5.082 1.364 -4.356 70 HH2 TRP 7 HH2 TRP 7 -7.401 0.657 -4.071 71 H PHE 8 H PHE 8 -0.784 -5.469 -2.528 72 HA PHE 8 HA PHE 8 -2.669 -6.837 -0.850 73 HB2 PHE 8 2HB PHE 8 -0.753 -7.542 -2.909 74 HB3 PHE 8 3HB PHE 8 -0.657 -8.651 -1.545 75 HD1 PHE 8 HD1 PHE 8 -2.416 -10.186 -1.070 76 HD2 PHE 8 HD2 PHE 8 -2.842 -7.307 -4.175 77 HE1 PHE 8 HE1 PHE 8 -4.398 -11.383 -1.903 78 HE2 PHE 8 HE2 PHE 8 -4.825 -8.498 -5.013 79 HZ PHE 8 HZ PHE 8 -5.606 -10.538 -3.876 80 H GLN 9 H GLN 9 0.476 -5.525 -0.454 81 HA GLN 9 HA GLN 9 1.569 -7.158 1.513 82 HB2 GLN 9 2HB GLN 9 3.029 -5.552 0.686 83 HB3 GLN 9 3HB GLN 9 1.853 -4.254 0.843 84 HG2 GLN 9 2HG GLN 9 2.324 -3.900 3.042 85 HG3 GLN 9 3HG GLN 9 2.808 -5.571 3.322 86 HE21 GLN 9 2HE2 GLN 9 6.036 -4.243 3.520 87 HE22 GLN 9 1HE2 GLN 9 4.676 -4.855 4.392 88 H ASN 10 H ASN 10 -1.034 -4.882 1.691 89 HA ASN 10 HA ASN 10 -1.031 -4.337 4.441 90 HB2 ASN 10 2HB ASN 10 -2.683 -3.753 2.231 91 HB3 ASN 10 3HB ASN 10 -3.722 -4.516 3.431 92 HD21 ASN 10 2HD2 ASN 10 -2.905 -0.711 3.810 93 HD22 ASN 10 1HD2 ASN 10 -2.840 -1.645 2.358 94 H ARG 11 H ARG 11 -1.566 -7.239 2.816 95 HA ARG 11 HA ARG 11 -3.237 -8.354 4.944 96 HB2 ARG 11 2HB ARG 11 -2.284 -9.740 2.438 97 HB3 ARG 11 3HB ARG 11 -3.587 -10.239 3.508 98 HG2 ARG 11 2HG ARG 11 -3.604 -7.730 1.845 99 HG3 ARG 11 3HG ARG 11 -4.378 -9.250 1.392 100 HD2 ARG 11 2HD ARG 11 -5.378 -8.866 3.888 101 HD3 ARG 11 3HD ARG 11 -5.208 -7.203 3.329 102 HE ARG 11 HE ARG 11 -6.457 -8.738 1.330 103 HH11 ARG 11 1HH1 ARG 11 -7.072 -7.405 4.487 104 HH12 ARG 11 2HH1 ARG 11 -8.781 -7.265 4.238 105 HH21 ARG 11 2HH2 ARG 11 -9.709 -7.922 2.249 106 HH22 ARG 11 1HH2 ARG 11 -8.705 -8.559 0.990 107 H ARG 12 H ARG 12 0.013 -8.305 3.796 108 HA ARG 12 HA ARG 12 1.002 -10.713 4.790 109 HB2 ARG 12 2HB ARG 12 2.097 -8.179 3.883 110 HB3 ARG 12 3HB ARG 12 3.046 -8.866 5.194 111 HG2 ARG 12 2HG ARG 12 3.812 -10.562 3.931 112 HG3 ARG 12 3HG ARG 12 2.287 -10.744 3.062 113 HD2 ARG 12 2HD ARG 12 3.523 -8.222 2.429 114 HD3 ARG 12 3HD ARG 12 4.646 -9.551 2.141 115 HE ARG 12 HE ARG 12 2.101 -10.142 1.049 116 HH11 ARG 12 1HH1 ARG 12 4.936 -8.193 0.512 117 HH12 ARG 12 2HH1 ARG 12 4.726 -8.130 -1.207 118 HH21 ARG 12 2HH2 ARG 12 2.949 -9.195 -2.186 119 HH22 ARG 12 1HH2 ARG 12 1.814 -10.066 -1.212 120 H MET 13 H MET 13 1.689 -7.597 6.361 121 HA MET 13 HA MET 13 2.312 -8.679 8.851 122 HB2 MET 13 2HB MET 13 1.782 -6.317 9.692 123 HB3 MET 13 3HB MET 13 3.033 -6.478 8.467 124 HG2 MET 13 2HG MET 13 0.516 -6.120 7.179 125 HG3 MET 13 3HG MET 13 0.722 -4.873 8.407 126 HE1 MET 13 3HE MET 13 3.536 -4.330 8.700 127 HE2 MET 13 1HE MET 13 4.185 -3.354 7.382 128 HE3 MET 13 2HE MET 13 2.688 -2.873 8.180 129 H LYS 14 H LYS 14 -0.762 -7.907 7.426 130 HA LYS 14 HA LYS 14 -2.253 -7.933 9.870 131 HB2 LYS 14 2HB LYS 14 -2.904 -7.851 6.962 132 HB3 LYS 14 3HB LYS 14 -4.167 -8.360 8.075 133 HG2 LYS 14 2HG LYS 14 -3.459 -6.180 9.361 134 HG3 LYS 14 3HG LYS 14 -2.859 -5.708 7.769 135 HD2 LYS 14 2HD LYS 14 -5.121 -6.252 6.848 136 HD3 LYS 14 3HD LYS 14 -5.677 -6.490 8.507 137 HE2 LYS 14 2HE LYS 14 -4.699 -4.108 8.886 138 HE3 LYS 14 3HE LYS 14 -4.820 -3.975 7.132 139 HZ1 LYS 14 3HZ LYS 14 -7.170 -4.442 7.274 140 HZ2 LYS 14 1HZ LYS 14 -6.794 -3.126 8.268 141 HZ3 LYS 14 2HZ LYS 14 -7.070 -4.649 8.950 142 H TRP 15 H TRP 15 -0.579 -10.322 8.535 143 HA TRP 15 HA TRP 15 -2.235 -12.498 8.169 144 HB2 TRP 15 2HB TRP 15 0.583 -12.088 8.874 145 HB3 TRP 15 3HB TRP 15 -0.077 -13.615 9.454 146 HD1 TRP 15 HD1 TRP 15 1.895 -12.626 6.745 147 HE1 TRP 15 HE1 TRP 15 1.446 -13.967 4.594 148 HE3 TRP 15 HE3 TRP 15 -2.655 -14.615 7.961 149 HZ2 TRP 15 HZ2 TRP 15 -0.570 -15.644 3.550 150 HZ3 TRP 15 HZ3 TRP 15 -3.777 -16.077 6.331 151 HH2 TRP 15 HH2 TRP 15 -2.755 -16.579 4.171 152 H LYS 16 H LYS 16 -1.272 -10.938 11.139 153 HA LYS 16 HA LYS 16 -1.829 -12.882 13.020 154 HB2 LYS 16 2HB LYS 16 -2.341 -11.011 14.566 155 HB3 LYS 16 3HB LYS 16 -0.859 -10.761 13.653 156 HG2 LYS 16 2HG LYS 16 -2.998 -9.616 12.183 157 HG3 LYS 16 3HG LYS 16 -3.121 -9.069 13.857 158 HD2 LYS 16 2HD LYS 16 -0.419 -9.042 12.656 159 HD3 LYS 16 3HD LYS 16 -1.573 -7.868 12.019 160 HE2 LYS 16 2HE LYS 16 -1.738 -7.930 14.878 161 HE3 LYS 16 3HE LYS 16 -0.059 -7.707 14.390 162 HZ1 LYS 16 3HZ LYS 16 -0.522 -5.723 13.373 163 HZ2 LYS 16 1HZ LYS 16 -1.624 -5.670 14.656 164 HZ3 LYS 16 2HZ LYS 16 -2.151 -6.093 13.105 165 H LYS 17 H LYS 17 -4.030 -10.957 11.114 166 HA LYS 17 HA LYS 17 -6.359 -11.671 12.649 167 HB2 LYS 17 2HB LYS 17 -5.842 -10.140 10.136 168 HB3 LYS 17 3HB LYS 17 -7.469 -10.731 10.443 169 HG2 LYS 17 2HG LYS 17 -6.278 -9.386 12.739 170 HG3 LYS 17 3HG LYS 17 -6.437 -8.352 11.316 171 HD2 LYS 17 2HD LYS 17 -8.839 -9.238 11.178 172 HD3 LYS 17 3HD LYS 17 -8.583 -9.815 12.827 173 HE2 LYS 17 2HE LYS 17 -9.104 -7.789 13.572 174 HE3 LYS 17 3HE LYS 17 -7.671 -7.156 12.765 175 HZ1 LYS 17 3HZ LYS 17 -8.879 -6.370 11.030 176 HZ2 LYS 17 1HZ LYS 17 -10.076 -6.271 12.222 177 HZ3 LYS 17 2HZ LYS 17 -10.064 -7.571 11.141 Start of MODEL 7 1 H1 ASP 1 H ASP 1 5.587 -5.802 -5.161 2 HA ASP 1 HA ASP 1 3.733 -6.062 -3.619 3 HB2 ASP 1 2HB ASP 1 5.969 -5.556 -1.707 4 HB3 ASP 1 3HB ASP 1 4.344 -5.062 -1.240 5 H ARG 2 H ARG 2 5.789 -3.707 -4.710 6 HA ARG 2 HA ARG 2 3.876 -1.572 -4.022 7 HB2 ARG 2 2HB ARG 2 6.864 -1.554 -4.199 8 HB3 ARG 2 3HB ARG 2 5.971 -0.084 -4.563 9 HG2 ARG 2 2HG ARG 2 4.855 -0.940 -2.192 10 HG3 ARG 2 3HG ARG 2 6.570 -1.312 -2.008 11 HD2 ARG 2 2HD ARG 2 7.048 1.040 -2.764 12 HD3 ARG 2 3HD ARG 2 5.317 1.352 -2.639 13 HE ARG 2 HE ARG 2 7.192 1.186 -0.491 14 HH11 ARG 2 1HH1 ARG 2 3.866 0.659 -1.373 15 HH12 ARG 2 2HH1 ARG 2 3.269 0.871 0.239 16 HH21 ARG 2 2HH2 ARG 2 4.721 1.333 1.950 17 HH22 ARG 2 1HH2 ARG 2 6.418 1.468 1.636 18 H GLN 3 H GLN 3 5.017 -3.500 -6.460 19 HA GLN 3 HA GLN 3 5.205 -1.680 -8.621 20 HB2 GLN 3 2HB GLN 3 4.590 -4.637 -8.568 21 HB3 GLN 3 3HB GLN 3 4.887 -3.718 -10.037 22 HG2 GLN 3 2HG GLN 3 6.951 -3.471 -7.962 23 HG3 GLN 3 3HG GLN 3 6.778 -5.073 -8.677 24 HE21 GLN 3 2HE2 GLN 3 9.183 -3.709 -10.891 25 HE22 GLN 3 1HE2 GLN 3 8.989 -4.566 -9.403 26 H ILE 4 H ILE 4 2.705 -4.185 -8.354 27 HA ILE 4 HA ILE 4 0.722 -2.168 -9.187 28 HB ILE 4 HB ILE 4 -0.474 -3.893 -10.408 29 HG12 ILE 4 2HG1 ILE 4 1.130 -6.052 -10.732 30 HG13 ILE 4 3HG1 ILE 4 1.497 -5.642 -9.060 31 HG21 ILE 4 1HG2 ILE 4 0.759 -3.535 -12.232 32 HG22 ILE 4 2HG2 ILE 4 1.902 -2.724 -11.163 33 HG23 ILE 4 3HG2 ILE 4 2.135 -4.422 -11.577 34 HD11 ILE 4 3HD1 ILE 4 -1.358 -5.707 -9.773 35 HD12 ILE 4 1HD1 ILE 4 -0.511 -7.254 -9.795 36 HD13 ILE 4 2HD1 ILE 4 -0.530 -6.279 -8.325 37 H LYS 5 H LYS 5 1.488 -4.835 -7.096 38 HA LYS 5 HA LYS 5 -1.202 -4.908 -5.975 39 HB2 LYS 5 2HB LYS 5 -0.408 -6.789 -4.657 40 HB3 LYS 5 3HB LYS 5 0.014 -7.023 -6.349 41 HG2 LYS 5 2HG LYS 5 2.043 -5.722 -4.637 42 HG3 LYS 5 3HG LYS 5 1.728 -7.436 -4.353 43 HD2 LYS 5 2HD LYS 5 1.907 -7.483 -7.017 44 HD3 LYS 5 3HD LYS 5 2.931 -6.080 -6.701 45 HE2 LYS 5 2HE LYS 5 4.593 -7.487 -6.252 46 HE3 LYS 5 3HE LYS 5 3.700 -7.999 -4.821 47 HZ1 LYS 5 3HZ LYS 5 2.505 -9.443 -6.717 48 HZ2 LYS 5 1HZ LYS 5 3.821 -9.995 -5.808 49 HZ3 LYS 5 2HZ LYS 5 4.069 -9.356 -7.354 50 H ILE 6 H ILE 6 -0.003 -2.447 -5.634 51 HA ILE 6 HA ILE 6 1.407 -2.125 -3.222 52 HB ILE 6 HB ILE 6 0.675 0.237 -3.314 53 HG12 ILE 6 2HG1 ILE 6 -0.540 0.428 -5.818 54 HG13 ILE 6 3HG1 ILE 6 -1.361 -0.919 -5.036 55 HG21 ILE 6 1HG2 ILE 6 2.561 0.132 -4.544 56 HG22 ILE 6 2HG2 ILE 6 1.967 -1.200 -5.535 57 HG23 ILE 6 3HG2 ILE 6 1.459 0.452 -5.883 58 HD11 ILE 6 3HD1 ILE 6 -2.272 0.402 -3.413 59 HD12 ILE 6 1HD1 ILE 6 -0.981 1.600 -3.506 60 HD13 ILE 6 2HD1 ILE 6 -2.218 1.537 -4.762 61 H TRP 7 H TRP 7 -1.980 -2.526 -3.912 62 HA TRP 7 HA TRP 7 -2.873 -1.630 -1.327 63 HB2 TRP 7 2HB TRP 7 -4.191 -1.651 -3.564 64 HB3 TRP 7 3HB TRP 7 -4.500 -3.343 -3.185 65 HD1 TRP 7 HD1 TRP 7 -6.236 -3.874 -1.269 66 HE1 TRP 7 HE1 TRP 7 -7.920 -2.423 0.026 67 HE3 TRP 7 HE3 TRP 7 -4.498 0.751 -2.580 68 HZ2 TRP 7 HZ2 TRP 7 -8.443 0.321 0.438 69 HZ3 TRP 7 HZ3 TRP 7 -5.647 2.738 -1.693 70 HH2 TRP 7 HH2 TRP 7 -7.579 2.525 -0.216 71 H PHE 8 H PHE 8 -2.697 -4.797 -2.954 72 HA PHE 8 HA PHE 8 -3.522 -6.337 -0.767 73 HB2 PHE 8 2HB PHE 8 -2.257 -6.824 -3.366 74 HB3 PHE 8 3HB PHE 8 -1.810 -8.002 -2.136 75 HD1 PHE 8 HD1 PHE 8 -4.083 -7.301 -4.656 76 HD2 PHE 8 HD2 PHE 8 -3.902 -8.845 -0.693 77 HE1 PHE 8 HE1 PHE 8 -6.211 -8.480 -5.022 78 HE2 PHE 8 HE2 PHE 8 -6.029 -10.027 -1.053 79 HZ PHE 8 HZ PHE 8 -7.187 -9.846 -3.220 80 H GLN 9 H GLN 9 -0.586 -4.691 -1.345 81 HA GLN 9 HA GLN 9 1.286 -6.247 -0.009 82 HB2 GLN 9 2HB GLN 9 2.186 -4.417 -1.121 83 HB3 GLN 9 3HB GLN 9 0.995 -3.303 -0.465 84 HG2 GLN 9 2HG GLN 9 2.142 -2.993 1.477 85 HG3 GLN 9 3HG GLN 9 2.882 -4.593 1.425 86 HE21 GLN 9 2HE2 GLN 9 5.863 -3.207 0.396 87 HE22 GLN 9 1HE2 GLN 9 4.995 -4.274 1.440 88 H ASN 10 H ASN 10 -1.336 -4.360 1.237 89 HA ASN 10 HA ASN 10 -0.481 -3.909 3.853 90 HB2 ASN 10 2HB ASN 10 -2.986 -3.831 2.397 91 HB3 ASN 10 3HB ASN 10 -3.223 -4.440 4.032 92 HD21 ASN 10 2HD2 ASN 10 -3.547 -1.105 4.959 93 HD22 ASN 10 1HD2 ASN 10 -4.322 -2.629 4.712 94 H ARG 11 H ARG 11 -1.176 -6.835 2.280 95 HA ARG 11 HA ARG 11 -2.139 -8.377 4.442 96 HB2 ARG 11 2HB ARG 11 -2.447 -9.314 2.310 97 HB3 ARG 11 3HB ARG 11 -0.768 -9.053 1.855 98 HG2 ARG 11 2HG ARG 11 -0.039 -10.930 2.918 99 HG3 ARG 11 3HG ARG 11 -1.322 -10.876 4.129 100 HD2 ARG 11 2HD ARG 11 -1.936 -11.442 1.251 101 HD3 ARG 11 3HD ARG 11 -1.383 -12.724 2.328 102 HE ARG 11 HE ARG 11 -3.527 -11.344 3.523 103 HH11 ARG 11 1HH1 ARG 11 -2.847 -13.560 0.926 104 HH12 ARG 11 2HH1 ARG 11 -4.420 -14.286 0.960 105 HH21 ARG 11 2HH2 ARG 11 -5.986 -13.564 2.468 106 HH22 ARG 11 1HH2 ARG 11 -5.601 -12.292 3.578 107 H ARG 12 H ARG 12 0.975 -7.159 3.672 108 HA ARG 12 HA ARG 12 2.721 -8.993 4.740 109 HB2 ARG 12 2HB ARG 12 3.155 -6.664 3.677 110 HB3 ARG 12 3HB ARG 12 3.045 -6.066 5.327 111 HG2 ARG 12 2HG ARG 12 4.863 -7.588 5.978 112 HG3 ARG 12 3HG ARG 12 4.994 -8.118 4.300 113 HD2 ARG 12 2HD ARG 12 5.062 -5.289 4.312 114 HD3 ARG 12 3HD ARG 12 6.172 -5.849 5.561 115 HE ARG 12 HE ARG 12 6.545 -7.301 3.155 116 HH11 ARG 12 1HH1 ARG 12 7.179 -4.217 4.640 117 HH12 ARG 12 2HH1 ARG 12 8.589 -3.900 3.685 118 HH21 ARG 12 2HH2 ARG 12 9.282 -5.424 2.121 119 HH22 ARG 12 1HH2 ARG 12 8.400 -6.896 1.891 120 H MET 13 H MET 13 0.747 -6.610 6.451 121 HA MET 13 HA MET 13 1.518 -7.901 8.985 122 HB2 MET 13 2HB MET 13 0.578 -5.611 9.907 123 HB3 MET 13 3HB MET 13 2.238 -5.751 9.341 124 HG2 MET 13 2HG MET 13 1.595 -4.816 7.187 125 HG3 MET 13 3HG MET 13 -0.077 -4.698 7.732 126 HE1 MET 13 3HE MET 13 0.389 -0.968 7.980 127 HE2 MET 13 1HE MET 13 0.668 -2.086 6.645 128 HE3 MET 13 2HE MET 13 -0.722 -2.310 7.707 129 H LYS 14 H LYS 14 -1.035 -7.101 6.844 130 HA LYS 14 HA LYS 14 -3.147 -7.384 8.791 131 HB2 LYS 14 2HB LYS 14 -3.172 -5.975 6.617 132 HB3 LYS 14 3HB LYS 14 -3.525 -7.498 5.811 133 HG2 LYS 14 2HG LYS 14 -5.352 -7.521 7.824 134 HG3 LYS 14 3HG LYS 14 -5.239 -5.796 7.464 135 HD2 LYS 14 2HD LYS 14 -5.469 -7.693 5.185 136 HD3 LYS 14 3HD LYS 14 -6.908 -7.388 6.161 137 HE2 LYS 14 2HE LYS 14 -5.683 -4.890 5.644 138 HE3 LYS 14 3HE LYS 14 -5.746 -5.770 4.118 139 HZ1 LYS 14 3HZ LYS 14 -7.839 -4.483 5.493 140 HZ2 LYS 14 1HZ LYS 14 -8.198 -6.132 5.372 141 HZ3 LYS 14 2HZ LYS 14 -7.874 -5.232 3.977 142 H TRP 15 H TRP 15 -1.464 -9.601 8.826 143 HA TRP 15 HA TRP 15 -2.846 -11.713 7.363 144 HB2 TRP 15 2HB TRP 15 -0.206 -11.366 7.992 145 HB3 TRP 15 3HB TRP 15 -0.724 -12.484 9.250 146 HD1 TRP 15 HD1 TRP 15 -0.020 -12.287 5.531 147 HE1 TRP 15 HE1 TRP 15 -0.142 -14.652 4.522 148 HE3 TRP 15 HE3 TRP 15 -1.941 -14.787 9.555 149 HZ2 TRP 15 HZ2 TRP 15 -0.948 -17.236 5.326 150 HZ3 TRP 15 HZ3 TRP 15 -2.359 -17.203 9.353 151 HH2 TRP 15 HH2 TRP 15 -1.872 -18.400 7.281 152 H LYS 16 H LYS 16 -2.434 -10.490 10.614 153 HA LYS 16 HA LYS 16 -3.505 -12.694 12.012 154 HB2 LYS 16 2HB LYS 16 -3.864 -11.076 13.854 155 HB3 LYS 16 3HB LYS 16 -2.244 -10.987 13.175 156 HG2 LYS 16 2HG LYS 16 -3.886 -9.154 11.764 157 HG3 LYS 16 3HG LYS 16 -4.149 -8.915 13.493 158 HD2 LYS 16 2HD LYS 16 -1.423 -9.053 12.212 159 HD3 LYS 16 3HD LYS 16 -2.293 -7.546 12.512 160 HE2 LYS 16 2HE LYS 16 -1.883 -7.604 14.727 161 HE3 LYS 16 3HE LYS 16 -2.086 -9.352 14.823 162 HZ1 LYS 16 3HZ LYS 16 0.296 -7.894 14.781 163 HZ2 LYS 16 1HZ LYS 16 0.237 -8.804 13.356 164 HZ3 LYS 16 2HZ LYS 16 0.101 -9.573 14.857 165 H LYS 17 H LYS 17 -4.969 -10.086 10.245 166 HA LYS 17 HA LYS 17 -7.630 -11.030 11.090 167 HB2 LYS 17 2HB LYS 17 -6.853 -8.303 10.038 168 HB3 LYS 17 3HB LYS 17 -8.477 -8.799 10.497 169 HG2 LYS 17 2HG LYS 17 -8.095 -8.234 12.599 170 HG3 LYS 17 3HG LYS 17 -6.695 -9.307 12.669 171 HD2 LYS 17 2HD LYS 17 -5.337 -7.507 11.620 172 HD3 LYS 17 3HD LYS 17 -6.740 -6.440 11.729 173 HE2 LYS 17 2HE LYS 17 -6.229 -7.697 14.266 174 HE3 LYS 17 3HE LYS 17 -4.775 -6.894 13.676 175 HZ1 LYS 17 3HZ LYS 17 -5.786 -5.164 14.718 176 HZ2 LYS 17 1HZ LYS 17 -7.351 -5.744 14.445 177 HZ3 LYS 17 2HZ LYS 17 -6.500 -4.988 13.195 Start of MODEL 8 1 H1 ASP 1 H ASP 1 7.441 -7.120 -5.559 2 HA ASP 1 HA ASP 1 9.354 -5.147 -6.509 3 HB2 ASP 1 2HB ASP 1 7.699 -6.409 -8.346 4 HB3 ASP 1 3HB ASP 1 6.855 -4.904 -7.991 5 H ARG 2 H ARG 2 7.611 -3.081 -7.050 6 HA ARG 2 HA ARG 2 6.323 -2.689 -4.430 7 HB2 ARG 2 2HB ARG 2 8.330 -1.238 -5.125 8 HB3 ARG 2 3HB ARG 2 7.223 -0.474 -6.257 9 HG2 ARG 2 2HG ARG 2 5.737 0.054 -4.315 10 HG3 ARG 2 3HG ARG 2 7.025 -0.528 -3.258 11 HD2 ARG 2 2HD ARG 2 7.742 1.594 -3.288 12 HD3 ARG 2 3HD ARG 2 8.371 1.197 -4.886 13 HE ARG 2 HE ARG 2 5.769 1.987 -5.291 14 HH11 ARG 2 1HH1 ARG 2 8.647 3.392 -3.925 15 HH12 ARG 2 2HH1 ARG 2 8.218 5.014 -4.359 16 HH21 ARG 2 2HH2 ARG 2 6.253 5.426 -5.462 17 HH22 ARG 2 1HH2 ARG 2 5.193 4.118 -5.866 18 H GLN 3 H GLN 3 5.889 -2.645 -7.858 19 HA GLN 3 HA GLN 3 3.399 -1.194 -7.793 20 HB2 GLN 3 2HB GLN 3 5.125 -1.387 -9.738 21 HB3 GLN 3 3HB GLN 3 4.289 -2.891 -10.099 22 HG2 GLN 3 2HG GLN 3 3.303 -1.262 -11.468 23 HG3 GLN 3 3HG GLN 3 2.156 -1.549 -10.160 24 HE21 GLN 3 2HE2 GLN 3 1.980 1.957 -10.109 25 HE22 GLN 3 1HE2 GLN 3 1.241 0.501 -10.676 26 H ILE 4 H ILE 4 4.329 -4.562 -8.498 27 HA ILE 4 HA ILE 4 1.795 -5.631 -8.818 28 HB ILE 4 HB ILE 4 2.798 -7.798 -8.034 29 HG12 ILE 4 2HG1 ILE 4 5.256 -6.068 -7.687 30 HG13 ILE 4 3HG1 ILE 4 4.372 -6.875 -6.397 31 HG21 ILE 4 1HG2 ILE 4 4.324 -7.996 -9.928 32 HG22 ILE 4 2HG2 ILE 4 2.872 -7.100 -10.372 33 HG23 ILE 4 3HG2 ILE 4 4.382 -6.239 -10.072 34 HD11 ILE 4 3HD1 ILE 4 4.913 -9.004 -7.871 35 HD12 ILE 4 1HD1 ILE 4 6.251 -7.983 -8.395 36 HD13 ILE 4 2HD1 ILE 4 6.051 -8.366 -6.685 37 H LYS 5 H LYS 5 3.569 -4.927 -5.865 38 HA LYS 5 HA LYS 5 1.259 -5.851 -4.291 39 HB2 LYS 5 2HB LYS 5 4.184 -5.801 -3.789 40 HB3 LYS 5 3HB LYS 5 3.141 -5.472 -2.411 41 HG2 LYS 5 2HG LYS 5 3.635 -7.800 -2.429 42 HG3 LYS 5 3HG LYS 5 1.944 -7.601 -2.894 43 HD2 LYS 5 2HD LYS 5 2.607 -7.805 -5.264 44 HD3 LYS 5 3HD LYS 5 4.273 -8.086 -4.753 45 HE2 LYS 5 2HE LYS 5 3.146 -9.974 -3.300 46 HE3 LYS 5 3HE LYS 5 1.883 -9.850 -4.523 47 HZ1 LYS 5 3HZ LYS 5 3.262 -10.615 -6.159 48 HZ2 LYS 5 1HZ LYS 5 3.879 -11.473 -4.837 49 HZ3 LYS 5 2HZ LYS 5 4.675 -10.088 -5.393 50 H ILE 6 H ILE 6 0.271 -3.765 -5.008 51 HA ILE 6 HA ILE 6 1.286 -1.440 -3.538 52 HB ILE 6 HB ILE 6 -0.493 -0.201 -4.856 53 HG12 ILE 6 2HG1 ILE 6 -0.523 -2.215 -6.964 54 HG13 ILE 6 3HG1 ILE 6 -1.321 -2.773 -5.497 55 HG21 ILE 6 1HG2 ILE 6 1.582 0.243 -5.681 56 HG22 ILE 6 2HG2 ILE 6 1.962 -1.458 -5.945 57 HG23 ILE 6 3HG2 ILE 6 0.907 -0.605 -7.072 58 HD11 ILE 6 3HD1 ILE 6 -2.537 -1.372 -7.439 59 HD12 ILE 6 1HD1 ILE 6 -3.048 -1.365 -5.752 60 HD13 ILE 6 2HD1 ILE 6 -2.035 -0.061 -6.372 61 H TRP 7 H TRP 7 -1.440 -3.619 -3.758 62 HA TRP 7 HA TRP 7 -2.647 -2.261 -1.436 63 HB2 TRP 7 2HB TRP 7 -3.808 -3.003 -3.968 64 HB3 TRP 7 3HB TRP 7 -4.622 -3.855 -2.658 65 HD1 TRP 7 HD1 TRP 7 -6.575 -2.565 -1.641 66 HE1 TRP 7 HE1 TRP 7 -7.274 -0.093 -1.473 67 HE3 TRP 7 HE3 TRP 7 -2.505 -0.418 -3.869 68 HZ2 TRP 7 HZ2 TRP 7 -6.237 2.433 -2.191 69 HZ3 TRP 7 HZ3 TRP 7 -2.437 2.032 -4.089 70 HH2 TRP 7 HH2 TRP 7 -4.265 3.426 -3.267 71 H PHE 8 H PHE 8 -0.940 -4.896 -2.331 72 HA PHE 8 HA PHE 8 -2.349 -6.993 -1.018 73 HB2 PHE 8 2HB PHE 8 0.087 -6.700 -2.509 74 HB3 PHE 8 3HB PHE 8 0.416 -7.592 -1.027 75 HD1 PHE 8 HD1 PHE 8 -2.457 -7.526 -3.408 76 HD2 PHE 8 HD2 PHE 8 0.525 -9.842 -1.443 77 HE1 PHE 8 HE1 PHE 8 -3.365 -9.566 -4.441 78 HE2 PHE 8 HE2 PHE 8 -0.378 -11.885 -2.473 79 HZ PHE 8 HZ PHE 8 -2.325 -11.749 -3.975 80 H GLN 9 H GLN 9 -0.992 -4.288 0.228 81 HA GLN 9 HA GLN 9 0.254 -5.449 2.562 82 HB2 GLN 9 2HB GLN 9 1.275 -3.447 1.966 83 HB3 GLN 9 3HB GLN 9 -0.253 -2.662 1.590 84 HG2 GLN 9 2HG GLN 9 -0.786 -2.505 3.946 85 HG3 GLN 9 3HG GLN 9 0.694 -3.369 4.358 86 HE21 GLN 9 2HE2 GLN 9 1.030 0.441 2.880 87 HE22 GLN 9 1HE2 GLN 9 -0.210 -0.614 2.304 88 H ASN 10 H ASN 10 -2.878 -4.361 1.621 89 HA ASN 10 HA ASN 10 -3.963 -3.719 4.132 90 HB2 ASN 10 2HB ASN 10 -4.970 -4.256 1.440 91 HB3 ASN 10 3HB ASN 10 -6.079 -4.780 2.703 92 HD21 ASN 10 2HD2 ASN 10 -6.902 -1.555 3.781 93 HD22 ASN 10 1HD2 ASN 10 -6.883 -3.238 4.174 94 H ARG 11 H ARG 11 -2.852 -6.661 2.955 95 HA ARG 11 HA ARG 11 -4.441 -8.137 4.951 96 HB2 ARG 11 2HB ARG 11 -4.340 -10.091 3.586 97 HB3 ARG 11 3HB ARG 11 -4.865 -8.768 2.554 98 HG2 ARG 11 2HG ARG 11 -2.058 -8.844 2.392 99 HG3 ARG 11 3HG ARG 11 -2.624 -10.510 2.257 100 HD2 ARG 11 2HD ARG 11 -3.711 -8.211 0.640 101 HD3 ARG 11 3HD ARG 11 -2.443 -9.301 0.081 102 HE ARG 11 HE ARG 11 -5.247 -9.826 0.154 103 HH11 ARG 11 1HH1 ARG 11 -2.106 -11.308 0.405 104 HH12 ARG 11 2HH1 ARG 11 -2.655 -12.865 -0.119 105 HH21 ARG 11 2HH2 ARG 11 -4.859 -13.184 -0.657 106 HH22 ARG 11 1HH2 ARG 11 -5.981 -11.871 -0.538 107 H ARG 12 H ARG 12 -1.759 -6.693 5.020 108 HA ARG 12 HA ARG 12 -0.112 -8.974 5.895 109 HB2 ARG 12 2HB ARG 12 1.830 -7.773 5.346 110 HB3 ARG 12 3HB ARG 12 0.729 -7.456 4.012 111 HG2 ARG 12 2HG ARG 12 1.165 -5.303 4.325 112 HG3 ARG 12 3HG ARG 12 0.201 -5.416 5.800 113 HD2 ARG 12 2HD ARG 12 2.019 -5.394 7.149 114 HD3 ARG 12 3HD ARG 12 3.010 -6.298 6.006 115 HE ARG 12 HE ARG 12 2.711 -3.879 4.817 116 HH11 ARG 12 1HH1 ARG 12 3.791 -4.909 7.962 117 HH12 ARG 12 2HH1 ARG 12 4.872 -3.571 8.173 118 HH21 ARG 12 2HH2 ARG 12 5.063 -1.981 6.535 119 HH22 ARG 12 1HH2 ARG 12 4.130 -2.113 5.083 120 H MET 13 H MET 13 -2.220 -7.209 7.286 121 HA MET 13 HA MET 13 -0.541 -6.490 9.599 122 HB2 MET 13 2HB MET 13 -2.777 -5.029 10.021 123 HB3 MET 13 3HB MET 13 -1.351 -4.418 9.193 124 HG2 MET 13 2HG MET 13 -2.327 -4.559 7.115 125 HG3 MET 13 3HG MET 13 -3.487 -5.782 7.627 126 HE1 MET 13 3HE MET 13 -2.150 -2.438 8.452 127 HE2 MET 13 1HE MET 13 -3.489 -1.319 8.198 128 HE3 MET 13 2HE MET 13 -3.269 -2.087 9.770 129 H LYS 14 H LYS 14 -4.053 -6.801 9.171 130 HA LYS 14 HA LYS 14 -4.138 -8.518 11.534 131 HB2 LYS 14 2HB LYS 14 -6.119 -6.819 10.084 132 HB3 LYS 14 3HB LYS 14 -6.715 -8.181 11.024 133 HG2 LYS 14 2HG LYS 14 -6.258 -7.196 12.994 134 HG3 LYS 14 3HG LYS 14 -4.781 -6.436 12.395 135 HD2 LYS 14 2HD LYS 14 -6.045 -4.562 12.590 136 HD3 LYS 14 3HD LYS 14 -6.579 -5.050 10.979 137 HE2 LYS 14 2HE LYS 14 -8.109 -6.367 13.050 138 HE3 LYS 14 3HE LYS 14 -8.175 -4.613 13.219 139 HZ1 LYS 14 3HZ LYS 14 -9.825 -4.832 11.727 140 HZ2 LYS 14 1HZ LYS 14 -9.266 -6.316 11.138 141 HZ3 LYS 14 2HZ LYS 14 -8.563 -4.875 10.601 142 H TRP 15 H TRP 15 -3.501 -9.156 8.519 143 HA TRP 15 HA TRP 15 -5.359 -11.425 8.270 144 HB2 TRP 15 2HB TRP 15 -4.284 -9.548 6.360 145 HB3 TRP 15 3HB TRP 15 -3.858 -11.194 5.902 146 HD1 TRP 15 HD1 TRP 15 -7.008 -9.099 6.724 147 HE1 TRP 15 HE1 TRP 15 -8.992 -10.104 5.429 148 HE3 TRP 15 HE3 TRP 15 -4.673 -13.167 4.690 149 HZ2 TRP 15 HZ2 TRP 15 -9.500 -12.327 3.765 150 HZ3 TRP 15 HZ3 TRP 15 -5.979 -14.683 3.259 151 HH2 TRP 15 HH2 TRP 15 -8.343 -14.270 2.807 152 H LYS 16 H LYS 16 -1.985 -10.497 8.404 153 HA LYS 16 HA LYS 16 -0.744 -12.855 7.651 154 HB2 LYS 16 2HB LYS 16 1.168 -12.115 8.926 155 HB3 LYS 16 3HB LYS 16 0.421 -10.720 8.157 156 HG2 LYS 16 2HG LYS 16 -0.837 -10.764 10.575 157 HG3 LYS 16 3HG LYS 16 0.779 -11.343 10.989 158 HD2 LYS 16 2HD LYS 16 0.215 -8.836 9.409 159 HD3 LYS 16 3HD LYS 16 0.524 -8.872 11.146 160 HE2 LYS 16 2HE LYS 16 2.722 -9.893 10.706 161 HE3 LYS 16 3HE LYS 16 2.409 -9.789 8.975 162 HZ1 LYS 16 3HZ LYS 16 3.717 -7.923 10.306 163 HZ2 LYS 16 1HZ LYS 16 2.148 -7.322 10.500 164 HZ3 LYS 16 2HZ LYS 16 2.771 -7.574 8.948 165 H LYS 17 H LYS 17 -2.321 -12.025 10.668 166 HA LYS 17 HA LYS 17 -1.357 -14.175 12.219 167 HB2 LYS 17 2HB LYS 17 -3.047 -11.988 12.617 168 HB3 LYS 17 3HB LYS 17 -4.064 -13.393 12.912 169 HG2 LYS 17 2HG LYS 17 -3.091 -13.804 14.867 170 HG3 LYS 17 3HG LYS 17 -1.471 -13.637 14.185 171 HD2 LYS 17 2HD LYS 17 -2.879 -11.096 14.413 172 HD3 LYS 17 3HD LYS 17 -2.665 -11.907 15.966 173 HE2 LYS 17 2HE LYS 17 -0.259 -12.132 15.487 174 HE3 LYS 17 3HE LYS 17 -0.495 -11.263 13.971 175 HZ1 LYS 17 3HZ LYS 17 0.325 -9.855 15.808 176 HZ2 LYS 17 1HZ LYS 17 -1.115 -10.142 16.649 177 HZ3 LYS 17 2HZ LYS 17 -1.149 -9.319 15.172 Start of MODEL 9 1 H1 ASP 1 H ASP 1 0.681 -7.943 -3.573 2 HA ASP 1 HA ASP 1 2.931 -8.502 -1.822 3 HB2 ASP 1 2HB ASP 1 3.327 -9.015 -4.449 4 HB3 ASP 1 3HB ASP 1 3.744 -7.304 -4.404 5 H ARG 2 H ARG 2 4.494 -6.310 -2.401 6 HA ARG 2 HA ARG 2 2.660 -4.071 -1.844 7 HB2 ARG 2 2HB ARG 2 4.119 -4.838 0.066 8 HB3 ARG 2 3HB ARG 2 5.510 -4.327 -0.881 9 HG2 ARG 2 2HG ARG 2 3.574 -2.212 -0.749 10 HG3 ARG 2 3HG ARG 2 3.974 -2.785 0.872 11 HD2 ARG 2 2HD ARG 2 6.436 -2.678 -0.145 12 HD3 ARG 2 3HD ARG 2 5.676 -1.446 -1.152 13 HE ARG 2 HE ARG 2 5.051 -1.019 1.574 14 HH11 ARG 2 1HH1 ARG 2 7.650 -0.720 -0.723 15 HH12 ARG 2 2HH1 ARG 2 8.421 0.581 0.122 16 HH21 ARG 2 2HH2 ARG 2 7.514 1.384 2.067 17 HH22 ARG 2 1HH2 ARG 2 6.056 0.694 2.695 18 H GLN 3 H GLN 3 5.306 -5.236 -3.733 19 HA GLN 3 HA GLN 3 6.489 -2.925 -4.663 20 HB2 GLN 3 2HB GLN 3 7.311 -5.151 -5.230 21 HB3 GLN 3 3HB GLN 3 5.880 -5.451 -6.206 22 HG2 GLN 3 2HG GLN 3 6.574 -3.493 -7.625 23 HG3 GLN 3 3HG GLN 3 8.101 -3.504 -6.744 24 HE21 GLN 3 2HE2 GLN 3 9.337 -5.604 -9.207 25 HE22 GLN 3 1HE2 GLN 3 9.418 -4.082 -8.395 26 H ILE 4 H ILE 4 4.150 -4.691 -6.674 27 HA ILE 4 HA ILE 4 3.259 -2.120 -7.766 28 HB ILE 4 HB ILE 4 2.263 -3.432 -9.590 29 HG12 ILE 4 2HG1 ILE 4 3.495 -5.805 -8.172 30 HG13 ILE 4 3HG1 ILE 4 1.772 -5.480 -8.327 31 HG21 ILE 4 1HG2 ILE 4 4.211 -3.188 -10.622 32 HG22 ILE 4 2HG2 ILE 4 5.004 -3.051 -9.053 33 HG23 ILE 4 3HG2 ILE 4 4.844 -4.628 -9.825 34 HD11 ILE 4 3HD1 ILE 4 2.613 -5.440 -10.927 35 HD12 ILE 4 1HD1 ILE 4 3.629 -6.691 -10.211 36 HD13 ILE 4 2HD1 ILE 4 1.873 -6.813 -10.105 37 H LYS 5 H LYS 5 2.150 -4.925 -6.014 38 HA LYS 5 HA LYS 5 -0.642 -4.351 -6.276 39 HB2 LYS 5 2HB LYS 5 0.955 -6.190 -4.508 40 HB3 LYS 5 3HB LYS 5 -0.781 -5.994 -4.299 41 HG2 LYS 5 2HG LYS 5 0.232 -6.629 -7.016 42 HG3 LYS 5 3HG LYS 5 0.240 -7.908 -5.800 43 HD2 LYS 5 2HD LYS 5 -2.155 -7.515 -5.397 44 HD3 LYS 5 3HD LYS 5 -2.150 -6.270 -6.649 45 HE2 LYS 5 2HE LYS 5 -1.145 -8.984 -7.341 46 HE3 LYS 5 3HE LYS 5 -2.884 -8.755 -7.166 47 HZ1 LYS 5 3HZ LYS 5 -1.707 -6.686 -8.731 48 HZ2 LYS 5 1HZ LYS 5 -2.980 -7.730 -9.117 49 HZ3 LYS 5 2HZ LYS 5 -1.382 -8.209 -9.392 50 H ILE 6 H ILE 6 -0.337 -2.022 -5.696 51 HA ILE 6 HA ILE 6 0.316 -1.227 -3.068 52 HB ILE 6 HB ILE 6 -0.832 0.898 -3.628 53 HG12 ILE 6 2HG1 ILE 6 -1.307 0.618 -6.373 54 HG13 ILE 6 3HG1 ILE 6 -2.050 -0.799 -5.638 55 HG21 ILE 6 1HG2 ILE 6 1.524 -0.011 -4.531 56 HG22 ILE 6 2HG2 ILE 6 0.727 0.326 -6.067 57 HG23 ILE 6 3HG2 ILE 6 0.916 1.609 -4.871 58 HD11 ILE 6 3HD1 ILE 6 -2.577 1.862 -4.432 59 HD12 ILE 6 1HD1 ILE 6 -3.377 1.440 -5.946 60 HD13 ILE 6 2HD1 ILE 6 -3.605 0.432 -4.516 61 H TRP 7 H TRP 7 -2.628 -2.388 -4.528 62 HA TRP 7 HA TRP 7 -4.338 -1.551 -2.378 63 HB2 TRP 7 2HB TRP 7 -4.992 -2.021 -4.833 64 HB3 TRP 7 3HB TRP 7 -5.000 -3.718 -4.359 65 HD1 TRP 7 HD1 TRP 7 -6.986 -4.553 -2.809 66 HE1 TRP 7 HE1 TRP 7 -9.248 -3.509 -2.163 67 HE3 TRP 7 HE3 TRP 7 -6.124 0.252 -4.327 68 HZ2 TRP 7 HZ2 TRP 7 -10.501 -0.983 -2.282 69 HZ3 TRP 7 HZ3 TRP 7 -7.906 1.921 -4.026 70 HH2 TRP 7 HH2 TRP 7 -10.049 1.315 -3.025 71 H PHE 8 H PHE 8 -2.965 -4.658 -3.431 72 HA PHE 8 HA PHE 8 -4.011 -6.075 -1.169 73 HB2 PHE 8 2HB PHE 8 -2.591 -6.721 -3.615 74 HB3 PHE 8 3HB PHE 8 -1.930 -7.600 -2.240 75 HD1 PHE 8 HD1 PHE 8 -4.105 -8.301 -0.591 76 HD2 PHE 8 HD2 PHE 8 -4.000 -8.045 -4.838 77 HE1 PHE 8 HE1 PHE 8 -5.956 -9.915 -0.730 78 HE2 PHE 8 HE2 PHE 8 -5.851 -9.658 -4.985 79 HZ PHE 8 HZ PHE 8 -6.833 -10.595 -2.929 80 H GLN 9 H GLN 9 -1.518 -3.915 -1.501 81 HA GLN 9 HA GLN 9 0.595 -5.014 -0.059 82 HB2 GLN 9 2HB GLN 9 1.082 -2.987 -1.093 83 HB3 GLN 9 3HB GLN 9 -0.379 -2.214 -0.493 84 HG2 GLN 9 2HG GLN 9 0.556 -2.125 1.742 85 HG3 GLN 9 3HG GLN 9 2.005 -2.961 1.185 86 HE21 GLN 9 2HE2 GLN 9 3.097 0.442 1.208 87 HE22 GLN 9 1HE2 GLN 9 2.843 -0.911 2.252 88 H ASN 10 H ASN 10 -2.508 -3.951 0.999 89 HA ASN 10 HA ASN 10 -1.988 -3.331 3.674 90 HB2 ASN 10 2HB ASN 10 -4.417 -4.415 2.263 91 HB3 ASN 10 3HB ASN 10 -4.420 -4.130 4.001 92 HD21 ASN 10 2HD2 ASN 10 -5.736 -1.153 2.215 93 HD22 ASN 10 1HD2 ASN 10 -6.131 -2.835 2.238 94 H ARG 11 H ARG 11 -1.713 -6.286 2.050 95 HA ARG 11 HA ARG 11 -2.094 -7.890 4.459 96 HB2 ARG 11 2HB ARG 11 -2.087 -9.787 3.077 97 HB3 ARG 11 3HB ARG 11 -2.933 -8.567 2.134 98 HG2 ARG 11 2HG ARG 11 -0.464 -8.140 1.229 99 HG3 ARG 11 3HG ARG 11 -0.307 -9.841 1.673 100 HD2 ARG 11 2HD ARG 11 -2.784 -9.492 0.321 101 HD3 ARG 11 3HD ARG 11 -1.521 -8.715 -0.632 102 HE ARG 11 HE ARG 11 -0.637 -10.781 -1.096 103 HH11 ARG 11 1HH1 ARG 11 -2.945 -11.061 1.496 104 HH12 ARG 11 2HH1 ARG 11 -2.939 -12.794 1.488 105 HH21 ARG 11 2HH2 ARG 11 -1.616 -13.931 0.003 106 HH22 ARG 11 1HH2 ARG 11 -0.621 -13.062 -1.116 107 H ARG 12 H ARG 12 0.241 -5.968 3.612 108 HA ARG 12 HA ARG 12 2.521 -7.734 3.662 109 HB2 ARG 12 2HB ARG 12 2.900 -5.799 2.402 110 HB3 ARG 12 3HB ARG 12 2.155 -4.756 3.605 111 HG2 ARG 12 2HG ARG 12 4.575 -4.463 3.521 112 HG3 ARG 12 3HG ARG 12 4.048 -5.075 5.090 113 HD2 ARG 12 2HD ARG 12 5.405 -6.818 4.879 114 HD3 ARG 12 3HD ARG 12 4.579 -7.295 3.396 115 HE ARG 12 HE ARG 12 6.439 -5.203 2.911 116 HH11 ARG 12 1HH1 ARG 12 6.207 -8.628 3.491 117 HH12 ARG 12 2HH1 ARG 12 7.670 -9.003 2.642 118 HH21 ARG 12 2HH2 ARG 12 8.898 -7.328 1.677 119 HH22 ARG 12 1HH2 ARG 12 8.367 -5.684 1.791 120 H MET 13 H MET 13 0.677 -5.850 5.941 121 HA MET 13 HA MET 13 2.520 -6.698 8.079 122 HB2 MET 13 2HB MET 13 1.294 -4.702 9.304 123 HB3 MET 13 3HB MET 13 2.682 -4.418 8.263 124 HG2 MET 13 2HG MET 13 1.198 -3.825 6.427 125 HG3 MET 13 3HG MET 13 -0.201 -4.136 7.451 126 HE1 MET 13 3HE MET 13 0.878 -2.177 10.417 127 HE2 MET 13 1HE MET 13 -0.628 -1.518 9.777 128 HE3 MET 13 2HE MET 13 -0.334 -3.256 9.723 129 H LYS 14 H LYS 14 -0.681 -6.747 6.850 130 HA LYS 14 HA LYS 14 -1.942 -7.481 9.338 131 HB2 LYS 14 2HB LYS 14 -2.855 -7.280 6.485 132 HB3 LYS 14 3HB LYS 14 -3.864 -8.071 7.689 133 HG2 LYS 14 2HG LYS 14 -3.830 -6.007 9.033 134 HG3 LYS 14 3HG LYS 14 -2.891 -5.222 7.761 135 HD2 LYS 14 2HD LYS 14 -4.698 -5.499 6.191 136 HD3 LYS 14 3HD LYS 14 -5.621 -6.443 7.363 137 HE2 LYS 14 2HE LYS 14 -5.505 -4.380 8.858 138 HE3 LYS 14 3HE LYS 14 -4.960 -3.512 7.424 139 HZ1 LYS 14 3HZ LYS 14 -7.535 -3.858 8.131 140 HZ2 LYS 14 1HZ LYS 14 -7.325 -5.104 7.006 141 HZ3 LYS 14 2HZ LYS 14 -7.006 -3.503 6.564 142 H TRP 15 H TRP 15 0.209 -9.148 8.865 143 HA TRP 15 HA TRP 15 -0.822 -11.635 7.766 144 HB2 TRP 15 2HB TRP 15 1.641 -10.609 7.652 145 HB3 TRP 15 3HB TRP 15 1.813 -11.526 9.146 146 HD1 TRP 15 HD1 TRP 15 2.987 -13.727 8.606 147 HE1 TRP 15 HE1 TRP 15 2.818 -15.510 6.758 148 HE3 TRP 15 HE3 TRP 15 -0.528 -11.492 5.643 149 HZ2 TRP 15 HZ2 TRP 15 1.385 -15.915 4.360 150 HZ3 TRP 15 HZ3 TRP 15 -1.244 -12.643 3.589 151 HH2 TRP 15 HH2 TRP 15 -0.305 -14.808 2.962 152 H LYS 16 H LYS 16 -0.220 -10.140 10.846 153 HA LYS 16 HA LYS 16 -0.214 -12.458 12.455 154 HB2 LYS 16 2HB LYS 16 -0.765 -10.902 14.310 155 HB3 LYS 16 3HB LYS 16 0.592 -10.357 13.334 156 HG2 LYS 16 2HG LYS 16 -0.522 -8.399 13.458 157 HG3 LYS 16 3HG LYS 16 -1.368 -9.073 12.063 158 HD2 LYS 16 2HD LYS 16 -3.275 -8.869 13.188 159 HD3 LYS 16 3HD LYS 16 -2.684 -10.076 14.332 160 HE2 LYS 16 2HE LYS 16 -1.575 -8.242 15.595 161 HE3 LYS 16 3HE LYS 16 -2.337 -7.085 14.504 162 HZ1 LYS 16 3HZ LYS 16 -3.752 -8.985 16.296 163 HZ2 LYS 16 1HZ LYS 16 -4.503 -7.918 15.220 164 HZ3 LYS 16 2HZ LYS 16 -3.613 -7.315 16.526 165 H LYS 17 H LYS 17 -2.758 -10.634 10.960 166 HA LYS 17 HA LYS 17 -4.817 -11.974 12.537 167 HB2 LYS 17 2HB LYS 17 -4.674 -9.568 10.864 168 HB3 LYS 17 3HB LYS 17 -6.141 -10.508 10.625 169 HG2 LYS 17 2HG LYS 17 -6.971 -9.968 12.638 170 HG3 LYS 17 3HG LYS 17 -5.396 -10.069 13.430 171 HD2 LYS 17 2HD LYS 17 -5.836 -7.812 13.578 172 HD3 LYS 17 3HD LYS 17 -4.904 -7.885 12.081 173 HE2 LYS 17 2HE LYS 17 -7.695 -8.316 11.545 174 HE3 LYS 17 3HE LYS 17 -7.474 -6.823 12.456 175 HZ1 LYS 17 3HZ LYS 17 -5.797 -6.162 10.793 176 HZ2 LYS 17 1HZ LYS 17 -7.341 -6.352 10.128 177 HZ3 LYS 17 2HZ LYS 17 -6.166 -7.545 9.890 Start of MODEL 10 1 H1 ASP 1 H ASP 1 3.052 -2.931 0.319 2 HA ASP 1 HA ASP 1 2.736 -0.025 0.705 3 HB2 ASP 1 2HB ASP 1 3.007 -2.162 2.615 4 HB3 ASP 1 3HB ASP 1 4.368 -1.054 2.764 5 H ARG 2 H ARG 2 4.397 -1.962 -1.135 6 HA ARG 2 HA ARG 2 7.027 -0.756 -0.615 7 HB2 ARG 2 2HB ARG 2 6.142 -3.313 -1.862 8 HB3 ARG 2 3HB ARG 2 7.620 -2.575 -2.464 9 HG2 ARG 2 2HG ARG 2 7.321 -2.866 0.472 10 HG3 ARG 2 3HG ARG 2 7.626 -4.320 -0.481 11 HD2 ARG 2 2HD ARG 2 9.722 -3.653 -1.083 12 HD3 ARG 2 3HD ARG 2 9.309 -1.940 -1.030 13 HE ARG 2 HE ARG 2 9.221 -2.913 1.579 14 HH11 ARG 2 1HH1 ARG 2 11.557 -2.410 -0.953 15 HH12 ARG 2 2HH1 ARG 2 12.880 -2.160 0.139 16 HH21 ARG 2 2HH2 ARG 2 12.535 -2.261 2.401 17 HH22 ARG 2 1HH2 ARG 2 10.954 -2.586 3.026 18 H GLN 3 H GLN 3 5.504 -1.969 -3.588 19 HA GLN 3 HA GLN 3 6.082 0.636 -4.837 20 HB2 GLN 3 2HB GLN 3 7.581 -1.088 -5.692 21 HB3 GLN 3 3HB GLN 3 6.209 -2.114 -6.087 22 HG2 GLN 3 2HG GLN 3 6.209 -1.223 -8.107 23 HG3 GLN 3 3HG GLN 3 5.709 0.303 -7.380 24 HE21 GLN 3 2HE2 GLN 3 9.245 0.006 -9.155 25 HE22 GLN 3 1HE2 GLN 3 7.972 -1.156 -9.286 26 H ILE 4 H ILE 4 4.276 -2.239 -5.891 27 HA ILE 4 HA ILE 4 1.929 -0.500 -6.282 28 HB ILE 4 HB ILE 4 1.229 -2.002 -8.088 29 HG12 ILE 4 2HG1 ILE 4 3.929 -3.327 -7.803 30 HG13 ILE 4 3HG1 ILE 4 2.443 -4.012 -7.154 31 HG21 ILE 4 1HG2 ILE 4 2.410 -0.099 -8.812 32 HG22 ILE 4 2HG2 ILE 4 3.958 -0.764 -8.293 33 HG23 ILE 4 3HG2 ILE 4 3.124 -1.454 -9.686 34 HD11 ILE 4 3HD1 ILE 4 1.835 -4.808 -9.134 35 HD12 ILE 4 1HD1 ILE 4 2.209 -3.293 -9.955 36 HD13 ILE 4 2HD1 ILE 4 3.487 -4.469 -9.648 37 H LYS 5 H LYS 5 3.162 -3.391 -4.870 38 HA LYS 5 HA LYS 5 0.636 -4.662 -4.421 39 HB2 LYS 5 2HB LYS 5 3.458 -5.152 -3.668 40 HB3 LYS 5 3HB LYS 5 2.242 -5.815 -2.584 41 HG2 LYS 5 2HG LYS 5 2.849 -7.486 -4.184 42 HG3 LYS 5 3HG LYS 5 1.201 -6.952 -4.522 43 HD2 LYS 5 2HD LYS 5 1.844 -5.774 -6.426 44 HD3 LYS 5 3HD LYS 5 3.535 -5.702 -5.926 45 HE2 LYS 5 2HE LYS 5 3.729 -8.123 -6.283 46 HE3 LYS 5 3HE LYS 5 2.046 -8.175 -6.806 47 HZ1 LYS 5 3HZ LYS 5 4.078 -7.919 -8.484 48 HZ2 LYS 5 1HZ LYS 5 3.765 -6.282 -8.191 49 HZ3 LYS 5 2HZ LYS 5 2.543 -7.281 -8.798 50 H ILE 6 H ILE 6 -0.355 -2.619 -3.574 51 HA ILE 6 HA ILE 6 0.164 -2.331 -0.687 52 HB ILE 6 HB ILE 6 -1.176 -0.098 -1.126 53 HG12 ILE 6 2HG1 ILE 6 -0.579 0.886 -3.310 54 HG13 ILE 6 3HG1 ILE 6 0.139 -0.646 -3.797 55 HG21 ILE 6 1HG2 ILE 6 0.941 0.056 -0.170 56 HG22 ILE 6 2HG2 ILE 6 1.732 -0.658 -1.574 57 HG23 ILE 6 3HG2 ILE 6 1.096 0.985 -1.661 58 HD11 ILE 6 3HD1 ILE 6 -2.368 0.103 -4.398 59 HD12 ILE 6 1HD1 ILE 6 -1.850 -1.577 -4.254 60 HD13 ILE 6 2HD1 ILE 6 -2.656 -0.784 -2.900 61 H TRP 7 H TRP 7 -2.038 -3.385 -3.010 62 HA TRP 7 HA TRP 7 -4.336 -3.054 -1.216 63 HB2 TRP 7 2HB TRP 7 -4.414 -2.418 -3.708 64 HB3 TRP 7 3HB TRP 7 -4.445 -4.152 -4.019 65 HD1 TRP 7 HD1 TRP 7 -6.689 -5.455 -3.493 66 HE1 TRP 7 HE1 TRP 7 -9.085 -4.670 -2.973 67 HE3 TRP 7 HE3 TRP 7 -5.734 -0.531 -2.501 68 HZ2 TRP 7 HZ2 TRP 7 -10.396 -2.280 -2.240 69 HZ3 TRP 7 HZ3 TRP 7 -7.614 0.937 -1.899 70 HH2 TRP 7 HH2 TRP 7 -9.896 0.079 -1.772 71 H PHE 8 H PHE 8 -2.643 -5.539 -3.111 72 HA PHE 8 HA PHE 8 -4.136 -7.672 -1.870 73 HB2 PHE 8 2HB PHE 8 -2.420 -7.376 -4.153 74 HB3 PHE 8 3HB PHE 8 -1.844 -8.713 -3.163 75 HD1 PHE 8 HD1 PHE 8 -4.415 -7.541 -5.412 76 HD2 PHE 8 HD2 PHE 8 -3.350 -10.617 -2.670 77 HE1 PHE 8 HE1 PHE 8 -6.163 -8.988 -6.362 78 HE2 PHE 8 HE2 PHE 8 -5.096 -12.070 -3.616 79 HZ PHE 8 HZ PHE 8 -6.505 -11.256 -5.465 80 H GLN 9 H GLN 9 -1.717 -5.745 -0.793 81 HA GLN 9 HA GLN 9 -0.081 -7.737 0.500 82 HB2 GLN 9 2HB GLN 9 1.147 -5.832 -0.011 83 HB3 GLN 9 3HB GLN 9 -0.153 -4.744 0.458 84 HG2 GLN 9 2HG GLN 9 0.397 -4.807 2.667 85 HG3 GLN 9 3HG GLN 9 1.086 -6.426 2.564 86 HE21 GLN 9 2HE2 GLN 9 3.895 -4.169 3.098 87 HE22 GLN 9 1HE2 GLN 9 2.509 -4.731 3.962 88 H ASN 10 H ASN 10 -2.904 -5.880 1.250 89 HA ASN 10 HA ASN 10 -2.799 -5.917 4.051 90 HB2 ASN 10 2HB ASN 10 -5.192 -5.500 3.989 91 HB3 ASN 10 3HB ASN 10 -4.401 -4.562 2.726 92 HD21 ASN 10 2HD2 ASN 10 -7.415 -6.063 1.275 93 HD22 ASN 10 1HD2 ASN 10 -7.042 -4.945 2.538 94 H ARG 11 H ARG 11 -3.105 -8.467 1.865 95 HA ARG 11 HA ARG 11 -4.418 -10.199 3.839 96 HB2 ARG 11 2HB ARG 11 -4.910 -11.704 2.071 97 HB3 ARG 11 3HB ARG 11 -5.271 -10.095 1.459 98 HG2 ARG 11 2HG ARG 11 -3.987 -10.528 -0.287 99 HG3 ARG 11 3HG ARG 11 -2.595 -10.579 0.797 100 HD2 ARG 11 2HD ARG 11 -4.254 -13.014 0.712 101 HD3 ARG 11 3HD ARG 11 -3.365 -12.639 -0.763 102 HE ARG 11 HE ARG 11 -1.712 -12.472 1.555 103 HH11 ARG 11 1HH1 ARG 11 -3.147 -14.691 -0.712 104 HH12 ARG 11 2HH1 ARG 11 -1.934 -15.907 -0.489 105 HH21 ARG 11 2HH2 ARG 11 -0.206 -15.551 0.974 106 HH22 ARG 11 1HH2 ARG 11 -0.109 -14.066 1.857 107 H ARG 12 H ARG 12 -1.386 -9.465 2.440 108 HA ARG 12 HA ARG 12 -0.049 -11.905 2.572 109 HB2 ARG 12 2HB ARG 12 0.838 -9.051 2.820 110 HB3 ARG 12 3HB ARG 12 1.989 -10.356 3.076 111 HG2 ARG 12 2HG ARG 12 0.341 -10.457 0.617 112 HG3 ARG 12 3HG ARG 12 1.609 -9.233 0.705 113 HD2 ARG 12 2HD ARG 12 3.272 -10.758 0.603 114 HD3 ARG 12 3HD ARG 12 2.385 -11.943 1.561 115 HE ARG 12 HE ARG 12 1.556 -12.852 -0.378 116 HH11 ARG 12 1HH1 ARG 12 3.032 -9.776 -1.070 117 HH12 ARG 12 2HH1 ARG 12 2.948 -9.975 -2.789 118 HH21 ARG 12 2HH2 ARG 12 2.041 -11.881 -3.681 119 HH22 ARG 12 1HH2 ARG 12 1.440 -13.126 -2.640 120 H MET 13 H MET 13 0.515 -9.321 4.949 121 HA MET 13 HA MET 13 0.574 -11.393 7.044 122 HB2 MET 13 2HB MET 13 2.104 -9.560 8.178 123 HB3 MET 13 3HB MET 13 2.769 -10.729 7.045 124 HG2 MET 13 2HG MET 13 2.627 -9.090 5.251 125 HG3 MET 13 3HG MET 13 1.932 -7.919 6.370 126 HE1 MET 13 3HE MET 13 2.825 -7.066 8.245 127 HE2 MET 13 1HE MET 13 4.367 -7.473 8.999 128 HE3 MET 13 2HE MET 13 4.267 -6.123 7.868 129 H LYS 14 H LYS 14 -0.724 -8.397 5.993 130 HA LYS 14 HA LYS 14 -1.631 -7.539 8.593 131 HB2 LYS 14 2HB LYS 14 -2.026 -6.553 5.785 132 HB3 LYS 14 3HB LYS 14 -3.013 -5.923 7.097 133 HG2 LYS 14 2HG LYS 14 -1.381 -4.593 7.798 134 HG3 LYS 14 3HG LYS 14 -0.206 -5.910 7.785 135 HD2 LYS 14 2HD LYS 14 0.737 -4.647 6.157 136 HD3 LYS 14 3HD LYS 14 -0.434 -5.495 5.145 137 HE2 LYS 14 2HE LYS 14 -1.190 -3.490 4.537 138 HE3 LYS 14 3HE LYS 14 -1.851 -3.342 6.165 139 HZ1 LYS 14 3HZ LYS 14 0.717 -2.293 5.135 140 HZ2 LYS 14 1HZ LYS 14 0.407 -2.433 6.792 141 HZ3 LYS 14 2HZ LYS 14 -0.563 -1.434 5.832 142 H TRP 15 H TRP 15 -2.457 -10.135 8.133 143 HA TRP 15 HA TRP 15 -4.963 -10.503 6.999 144 HB2 TRP 15 2HB TRP 15 -5.144 -12.493 8.352 145 HB3 TRP 15 3HB TRP 15 -3.467 -12.314 7.843 146 HD1 TRP 15 HD1 TRP 15 -1.657 -11.786 9.728 147 HE1 TRP 15 HE1 TRP 15 -1.720 -12.001 12.293 148 HE3 TRP 15 HE3 TRP 15 -6.706 -12.256 10.380 149 HZ2 TRP 15 HZ2 TRP 15 -3.654 -12.327 14.323 150 HZ3 TRP 15 HZ3 TRP 15 -7.581 -12.516 12.665 151 HH2 TRP 15 HH2 TRP 15 -6.085 -12.550 14.594 152 H LYS 16 H LYS 16 -4.091 -9.323 10.206 153 HA LYS 16 HA LYS 16 -6.545 -9.367 11.467 154 HB2 LYS 16 2HB LYS 16 -5.701 -7.333 12.717 155 HB3 LYS 16 3HB LYS 16 -4.642 -8.737 12.735 156 HG2 LYS 16 2HG LYS 16 -4.027 -7.032 10.500 157 HG3 LYS 16 3HG LYS 16 -3.983 -6.128 12.016 158 HD2 LYS 16 2HD LYS 16 -2.664 -8.330 12.784 159 HD3 LYS 16 3HD LYS 16 -2.259 -8.339 11.066 160 HE2 LYS 16 2HE LYS 16 -1.280 -6.181 11.199 161 HE3 LYS 16 3HE LYS 16 -1.931 -5.912 12.815 162 HZ1 LYS 16 3HZ LYS 16 0.553 -6.878 12.211 163 HZ2 LYS 16 1HZ LYS 16 -0.305 -8.255 12.692 164 HZ3 LYS 16 2HZ LYS 16 -0.194 -6.923 13.729 165 H LYS 17 H LYS 17 -5.340 -7.127 9.051 166 HA LYS 17 HA LYS 17 -7.979 -5.814 9.036 167 HB2 LYS 17 2HB LYS 17 -6.738 -3.843 8.028 168 HB3 LYS 17 3HB LYS 17 -6.430 -4.163 9.730 169 HG2 LYS 17 2HG LYS 17 -4.362 -5.387 9.039 170 HG3 LYS 17 3HG LYS 17 -4.648 -4.811 7.395 171 HD2 LYS 17 2HD LYS 17 -3.274 -3.145 8.117 172 HD3 LYS 17 3HD LYS 17 -4.816 -2.478 8.659 173 HE2 LYS 17 2HE LYS 17 -4.012 -4.135 10.735 174 HE3 LYS 17 3HE LYS 17 -2.525 -3.353 10.204 175 HZ1 LYS 17 3HZ LYS 17 -3.226 -1.344 10.903 176 HZ2 LYS 17 1HZ LYS 17 -4.203 -2.259 11.938 177 HZ3 LYS 17 2HZ LYS 17 -4.846 -1.628 10.506 Start of MODEL 11 1 H1 ASP 1 H ASP 1 2.962 -4.603 -9.551 2 HA ASP 1 HA ASP 1 5.732 -3.778 -9.867 3 HB2 ASP 1 2HB ASP 1 3.878 -2.359 -11.254 4 HB3 ASP 1 3HB ASP 1 3.870 -1.491 -9.721 5 H ARG 2 H ARG 2 5.699 -1.526 -8.280 6 HA ARG 2 HA ARG 2 5.496 -2.689 -5.682 7 HB2 ARG 2 2HB ARG 2 6.116 0.119 -6.603 8 HB3 ARG 2 3HB ARG 2 6.149 -0.378 -4.916 9 HG2 ARG 2 2HG ARG 2 7.844 -2.112 -5.566 10 HG3 ARG 2 3HG ARG 2 7.910 -1.342 -7.152 11 HD2 ARG 2 2HD ARG 2 9.234 0.278 -6.392 12 HD3 ARG 2 3HD ARG 2 8.154 0.606 -5.037 13 HE ARG 2 HE ARG 2 9.447 -1.641 -4.267 14 HH11 ARG 2 1HH1 ARG 2 10.521 1.457 -5.437 15 HH12 ARG 2 2HH1 ARG 2 12.007 1.424 -4.548 16 HH21 ARG 2 2HH2 ARG 2 12.507 -0.371 -3.215 17 HH22 ARG 2 1HH2 ARG 2 11.401 -1.696 -3.091 18 H GLN 3 H GLN 3 3.446 -0.693 -7.639 19 HA GLN 3 HA GLN 3 1.845 0.502 -5.695 20 HB2 GLN 3 2HB GLN 3 0.927 -0.508 -8.390 21 HB3 GLN 3 3HB GLN 3 0.172 0.755 -7.427 22 HG2 GLN 3 2HG GLN 3 2.344 2.033 -7.652 23 HG3 GLN 3 3HG GLN 3 2.801 0.844 -8.870 24 HE21 GLN 3 2HE2 GLN 3 0.943 2.280 -11.404 25 HE22 GLN 3 1HE2 GLN 3 2.066 1.072 -10.890 26 H ILE 4 H ILE 4 1.272 -2.550 -7.448 27 HA ILE 4 HA ILE 4 -1.000 -3.269 -5.911 28 HB ILE 4 HB ILE 4 -0.847 -5.442 -6.952 29 HG12 ILE 4 2HG1 ILE 4 1.880 -4.558 -7.919 30 HG13 ILE 4 3HG1 ILE 4 1.572 -5.789 -6.700 31 HG21 ILE 4 1HG2 ILE 4 -1.034 -4.806 -9.238 32 HG22 ILE 4 2HG2 ILE 4 -1.615 -3.453 -8.269 33 HG23 ILE 4 3HG2 ILE 4 -0.007 -3.394 -8.991 34 HD11 ILE 4 3HD1 ILE 4 0.101 -6.683 -8.823 35 HD12 ILE 4 1HD1 ILE 4 1.511 -5.967 -9.604 36 HD13 ILE 4 2HD1 ILE 4 1.720 -7.229 -8.389 37 H LYS 5 H LYS 5 2.429 -3.773 -5.525 38 HA LYS 5 HA LYS 5 2.469 -5.902 -3.744 39 HB2 LYS 5 2HB LYS 5 4.262 -3.623 -4.353 40 HB3 LYS 5 3HB LYS 5 4.519 -4.420 -2.806 41 HG2 LYS 5 2HG LYS 5 4.987 -6.489 -3.839 42 HG3 LYS 5 3HG LYS 5 4.389 -5.926 -5.402 43 HD2 LYS 5 2HD LYS 5 6.332 -4.918 -5.915 44 HD3 LYS 5 3HD LYS 5 6.554 -4.300 -4.276 45 HE2 LYS 5 2HE LYS 5 7.059 -7.147 -5.136 46 HE3 LYS 5 3HE LYS 5 8.304 -5.912 -4.958 47 HZ1 LYS 5 3HZ LYS 5 7.047 -7.512 -2.959 48 HZ2 LYS 5 1HZ LYS 5 6.940 -5.865 -2.588 49 HZ3 LYS 5 2HZ LYS 5 8.451 -6.575 -2.858 50 H ILE 6 H ILE 6 2.852 -2.502 -2.743 51 HA ILE 6 HA ILE 6 2.348 -2.914 -0.042 52 HB ILE 6 HB ILE 6 1.949 -0.530 0.145 53 HG12 ILE 6 2HG1 ILE 6 2.149 0.655 -2.265 54 HG13 ILE 6 3HG1 ILE 6 1.309 -0.817 -2.739 55 HG21 ILE 6 1HG2 ILE 6 4.252 -1.603 -0.519 56 HG22 ILE 6 2HG2 ILE 6 4.014 -0.670 -1.995 57 HG23 ILE 6 3HG2 ILE 6 4.061 0.148 -0.434 58 HD11 ILE 6 3HD1 ILE 6 0.154 0.435 -0.386 59 HD12 ILE 6 1HD1 ILE 6 0.143 1.479 -1.807 60 HD13 ILE 6 2HD1 ILE 6 -0.614 -0.112 -1.876 61 H TRP 7 H TRP 7 0.130 -2.479 -2.708 62 HA TRP 7 HA TRP 7 -2.194 -1.899 -1.227 63 HB2 TRP 7 2HB TRP 7 -1.867 -1.679 -3.738 64 HB3 TRP 7 3HB TRP 7 -2.124 -3.419 -3.834 65 HD1 TRP 7 HD1 TRP 7 -3.973 -0.176 -3.685 66 HE1 TRP 7 HE1 TRP 7 -6.508 -0.614 -3.610 67 HE3 TRP 7 HE3 TRP 7 -3.901 -5.210 -2.795 68 HZ2 TRP 7 HZ2 TRP 7 -8.247 -2.803 -3.225 69 HZ3 TRP 7 HZ3 TRP 7 -6.044 -6.401 -2.586 70 HH2 TRP 7 HH2 TRP 7 -8.171 -5.221 -2.797 71 H PHE 8 H PHE 8 -1.008 -4.993 -2.541 72 HA PHE 8 HA PHE 8 -3.052 -6.511 -1.231 73 HB2 PHE 8 2HB PHE 8 -1.009 -6.988 -3.188 74 HB3 PHE 8 3HB PHE 8 -0.891 -8.207 -1.923 75 HD1 PHE 8 HD1 PHE 8 -3.263 -6.633 -4.299 76 HD2 PHE 8 HD2 PHE 8 -2.369 -10.008 -1.863 77 HE1 PHE 8 HE1 PHE 8 -5.140 -7.858 -5.313 78 HE2 PHE 8 HE2 PHE 8 -4.244 -11.239 -2.874 79 HZ PHE 8 HZ PHE 8 -5.632 -10.165 -4.602 80 H GLN 9 H GLN 9 -0.005 -5.264 -0.311 81 HA GLN 9 HA GLN 9 0.691 -7.194 1.653 82 HB2 GLN 9 2HB GLN 9 2.488 -5.880 0.996 83 HB3 GLN 9 3HB GLN 9 1.550 -4.393 1.040 84 HG2 GLN 9 2HG GLN 9 1.837 -4.109 3.283 85 HG3 GLN 9 3HG GLN 9 2.012 -5.836 3.592 86 HE21 GLN 9 2HE2 GLN 9 5.257 -3.739 2.224 87 HE22 GLN 9 1HE2 GLN 9 3.660 -3.285 1.749 88 H ASN 10 H ASN 10 -1.483 -4.503 1.593 89 HA ASN 10 HA ASN 10 -1.655 -3.916 4.323 90 HB2 ASN 10 2HB ASN 10 -3.050 -3.203 1.943 91 HB3 ASN 10 3HB ASN 10 -4.245 -3.666 3.151 92 HD21 ASN 10 2HD2 ASN 10 -4.117 -0.430 4.359 93 HD22 ASN 10 1HD2 ASN 10 -5.044 -1.714 3.667 94 H ARG 11 H ARG 11 -2.527 -6.725 2.655 95 HA ARG 11 HA ARG 11 -4.203 -7.603 4.916 96 HB2 ARG 11 2HB ARG 11 -5.372 -9.098 3.388 97 HB3 ARG 11 3HB ARG 11 -5.485 -7.436 2.823 98 HG2 ARG 11 2HG ARG 11 -4.170 -7.819 0.995 99 HG3 ARG 11 3HG ARG 11 -3.294 -9.142 1.766 100 HD2 ARG 11 2HD ARG 11 -6.198 -9.495 1.238 101 HD3 ARG 11 3HD ARG 11 -5.088 -9.573 -0.130 102 HE ARG 11 HE ARG 11 -4.237 -11.212 2.046 103 HH11 ARG 11 1HH1 ARG 11 -6.405 -11.053 -0.673 104 HH12 ARG 11 2HH1 ARG 11 -6.492 -12.772 -0.870 105 HH21 ARG 11 2HH2 ARG 11 -5.319 -14.150 0.535 106 HH22 ARG 11 1HH2 ARG 11 -4.343 -13.477 1.796 107 H ARG 12 H ARG 12 -1.274 -7.733 4.567 108 HA ARG 12 HA ARG 12 -0.914 -10.655 4.493 109 HB2 ARG 12 2HB ARG 12 0.655 -8.439 3.447 110 HB3 ARG 12 3HB ARG 12 1.617 -9.501 4.467 111 HG2 ARG 12 2HG ARG 12 1.606 -11.158 2.964 112 HG3 ARG 12 3HG ARG 12 -0.089 -10.901 2.546 113 HD2 ARG 12 2HD ARG 12 0.428 -9.218 1.004 114 HD3 ARG 12 3HD ARG 12 2.047 -8.990 1.664 115 HE ARG 12 HE ARG 12 2.072 -11.549 0.756 116 HH11 ARG 12 1HH1 ARG 12 1.277 -8.475 -0.671 117 HH12 ARG 12 2HH1 ARG 12 1.769 -8.941 -2.266 118 HH21 ARG 12 2HH2 ARG 12 2.589 -11.046 -2.645 119 HH22 ARG 12 1HH2 ARG 12 2.722 -12.175 -1.339 120 H MET 13 H MET 13 0.976 -8.025 5.963 121 HA MET 13 HA MET 13 1.785 -9.473 8.195 122 HB2 MET 13 2HB MET 13 2.122 -7.144 9.225 123 HB3 MET 13 3HB MET 13 3.000 -7.521 7.749 124 HG2 MET 13 2HG MET 13 1.575 -6.194 6.436 125 HG3 MET 13 3HG MET 13 0.371 -6.082 7.717 126 HE1 MET 13 3HE MET 13 3.500 -3.092 6.769 127 HE2 MET 13 1HE MET 13 3.852 -4.778 6.390 128 HE3 MET 13 2HE MET 13 2.382 -4.024 5.773 129 H LYS 14 H LYS 14 -1.209 -7.877 7.536 130 HA LYS 14 HA LYS 14 -2.081 -7.679 10.258 131 HB2 LYS 14 2HB LYS 14 -2.948 -6.677 7.809 132 HB3 LYS 14 3HB LYS 14 -4.221 -7.791 8.292 133 HG2 LYS 14 2HG LYS 14 -4.928 -5.809 9.221 134 HG3 LYS 14 3HG LYS 14 -4.082 -6.566 10.572 135 HD2 LYS 14 2HD LYS 14 -2.144 -5.211 10.207 136 HD3 LYS 14 3HD LYS 14 -2.803 -4.585 8.693 137 HE2 LYS 14 2HE LYS 14 -4.705 -4.087 10.734 138 HE3 LYS 14 3HE LYS 14 -3.129 -3.581 11.341 139 HZ1 LYS 14 3HZ LYS 14 -4.565 -1.940 9.976 140 HZ2 LYS 14 1HZ LYS 14 -3.970 -2.786 8.637 141 HZ3 LYS 14 2HZ LYS 14 -2.898 -2.015 9.694 142 H TRP 15 H TRP 15 -1.384 -10.321 8.594 143 HA TRP 15 HA TRP 15 -3.572 -12.003 8.588 144 HB2 TRP 15 2HB TRP 15 -0.700 -12.294 8.505 145 HB3 TRP 15 3HB TRP 15 -1.421 -13.588 9.459 146 HD1 TRP 15 HD1 TRP 15 -0.667 -12.669 5.970 147 HE1 TRP 15 HE1 TRP 15 -1.844 -14.270 4.334 148 HE3 TRP 15 HE3 TRP 15 -3.890 -14.934 9.229 149 HZ2 TRP 15 HZ2 TRP 15 -3.872 -16.232 4.414 150 HZ3 TRP 15 HZ3 TRP 15 -5.416 -16.662 8.368 151 HH2 TRP 15 HH2 TRP 15 -5.406 -17.296 6.010 152 H LYS 16 H LYS 16 -1.635 -10.913 11.284 153 HA LYS 16 HA LYS 16 -2.335 -12.779 13.221 154 HB2 LYS 16 2HB LYS 16 -1.791 -11.064 14.864 155 HB3 LYS 16 3HB LYS 16 -0.625 -11.039 13.547 156 HG2 LYS 16 2HG LYS 16 -2.563 -9.236 12.749 157 HG3 LYS 16 3HG LYS 16 -2.410 -8.963 14.486 158 HD2 LYS 16 2HD LYS 16 0.206 -9.218 13.625 159 HD3 LYS 16 3HD LYS 16 -0.575 -8.311 12.327 160 HE2 LYS 16 2HE LYS 16 -1.280 -6.611 13.827 161 HE3 LYS 16 3HE LYS 16 -0.845 -7.579 15.235 162 HZ1 LYS 16 3HZ LYS 16 0.736 -5.732 14.542 163 HZ2 LYS 16 1HZ LYS 16 1.183 -6.738 13.257 164 HZ3 LYS 16 2HZ LYS 16 1.415 -7.250 14.852 165 H LYS 17 H LYS 17 -4.141 -10.076 11.929 166 HA LYS 17 HA LYS 17 -6.270 -10.443 13.894 167 HB2 LYS 17 2HB LYS 17 -5.889 -8.165 13.535 168 HB3 LYS 17 3HB LYS 17 -5.674 -8.375 11.802 169 HG2 LYS 17 2HG LYS 17 -7.767 -7.236 12.336 170 HG3 LYS 17 3HG LYS 17 -8.047 -8.779 11.527 171 HD2 LYS 17 2HD LYS 17 -8.995 -9.723 13.363 172 HD3 LYS 17 3HD LYS 17 -7.978 -8.818 14.486 173 HE2 LYS 17 2HE LYS 17 -10.150 -7.504 12.879 174 HE3 LYS 17 3HE LYS 17 -10.468 -8.257 14.441 175 HZ1 LYS 17 3HZ LYS 17 -8.863 -5.869 13.829 176 HZ2 LYS 17 1HZ LYS 17 -8.516 -6.775 15.215 177 HZ3 LYS 17 2HZ LYS 17 -10.048 -6.086 15.016 Start of MODEL 12 1 H1 ASP 1 H ASP 1 7.763 -5.615 -6.372 2 HA ASP 1 HA ASP 1 5.702 -6.991 -5.000 3 HB2 ASP 1 2HB ASP 1 7.351 -7.401 -3.279 4 HB3 ASP 1 3HB ASP 1 8.121 -7.569 -4.854 5 H ARG 2 H ARG 2 6.871 -3.733 -4.889 6 HA ARG 2 HA ARG 2 5.068 -3.188 -2.622 7 HB2 ARG 2 2HB ARG 2 7.712 -2.833 -2.490 8 HB3 ARG 2 3HB ARG 2 7.282 -1.301 -3.239 9 HG2 ARG 2 2HG ARG 2 6.429 -0.483 -1.346 10 HG3 ARG 2 3HG ARG 2 5.607 -1.994 -0.953 11 HD2 ARG 2 2HD ARG 2 7.355 -1.345 0.690 12 HD3 ARG 2 3HD ARG 2 7.620 -2.925 -0.046 13 HE ARG 2 HE ARG 2 9.537 -2.120 -1.015 14 HH11 ARG 2 1HH1 ARG 2 7.648 0.540 0.199 15 HH12 ARG 2 2HH1 ARG 2 8.893 1.716 -0.065 16 HH21 ARG 2 2HH2 ARG 2 10.904 1.076 -0.958 17 HH22 ARG 2 1HH2 ARG 2 11.184 -0.582 -1.368 18 H GLN 3 H GLN 3 5.581 -2.749 -5.881 19 HA GLN 3 HA GLN 3 4.218 -0.154 -5.963 20 HB2 GLN 3 2HB GLN 3 6.361 -0.748 -7.320 21 HB3 GLN 3 3HB GLN 3 5.247 -1.600 -8.382 22 HG2 GLN 3 2HG GLN 3 5.545 0.528 -9.326 23 HG3 GLN 3 3HG GLN 3 3.958 0.558 -8.560 24 HE21 GLN 3 2HE2 GLN 3 4.757 3.026 -6.233 25 HE22 GLN 3 1HE2 GLN 3 3.640 1.804 -6.725 26 H ILE 4 H ILE 4 4.024 -3.374 -7.473 27 HA ILE 4 HA ILE 4 1.371 -2.862 -8.476 28 HB ILE 4 HB ILE 4 1.426 -5.185 -9.264 29 HG12 ILE 4 2HG1 ILE 4 4.195 -5.354 -8.069 30 HG13 ILE 4 3HG1 ILE 4 2.767 -6.016 -7.281 31 HG21 ILE 4 1HG2 ILE 4 3.679 -3.324 -9.845 32 HG22 ILE 4 2HG2 ILE 4 3.668 -4.919 -10.594 33 HG23 ILE 4 3HG2 ILE 4 2.326 -3.808 -10.866 34 HD11 ILE 4 3HD1 ILE 4 2.657 -7.776 -8.672 35 HD12 ILE 4 1HD1 ILE 4 3.188 -6.845 -10.071 36 HD13 ILE 4 2HD1 ILE 4 4.370 -7.426 -8.898 37 H LYS 5 H LYS 5 2.765 -4.188 -5.620 38 HA LYS 5 HA LYS 5 0.247 -5.456 -4.831 39 HB2 LYS 5 2HB LYS 5 2.799 -5.420 -3.231 40 HB3 LYS 5 3HB LYS 5 1.456 -6.549 -3.111 41 HG2 LYS 5 2HG LYS 5 3.390 -6.329 -5.409 42 HG3 LYS 5 3HG LYS 5 3.370 -7.589 -4.173 43 HD2 LYS 5 2HD LYS 5 1.085 -7.023 -6.057 44 HD3 LYS 5 3HD LYS 5 2.315 -8.259 -6.332 45 HE2 LYS 5 2HE LYS 5 1.499 -8.817 -3.784 46 HE3 LYS 5 3HE LYS 5 0.003 -8.260 -4.532 47 HZ1 LYS 5 3HZ LYS 5 0.632 -10.738 -4.677 48 HZ2 LYS 5 1HZ LYS 5 1.691 -10.248 -5.902 49 HZ3 LYS 5 2HZ LYS 5 0.030 -9.970 -6.059 50 H ILE 6 H ILE 6 0.670 -2.516 -5.018 51 HA ILE 6 HA ILE 6 0.859 -1.435 -2.405 52 HB ILE 6 HB ILE 6 -0.188 0.603 -3.425 53 HG12 ILE 6 2HG1 ILE 6 0.101 -0.088 -6.163 54 HG13 ILE 6 3HG1 ILE 6 -0.926 -1.312 -5.424 55 HG21 ILE 6 1HG2 ILE 6 2.259 -0.718 -4.496 56 HG22 ILE 6 2HG2 ILE 6 1.736 0.816 -5.188 57 HG23 ILE 6 3HG2 ILE 6 2.106 0.706 -3.467 58 HD11 ILE 6 3HD1 ILE 6 -1.543 1.505 -4.789 59 HD12 ILE 6 1HD1 ILE 6 -1.870 0.959 -6.433 60 HD13 ILE 6 2HD1 ILE 6 -2.620 0.137 -5.065 61 H TRP 7 H TRP 7 -1.798 -2.660 -4.327 62 HA TRP 7 HA TRP 7 -3.814 -1.683 -2.502 63 HB2 TRP 7 2HB TRP 7 -4.067 -2.055 -5.046 64 HB3 TRP 7 3HB TRP 7 -4.266 -3.756 -4.636 65 HD1 TRP 7 HD1 TRP 7 -6.588 -4.512 -3.705 66 HE1 TRP 7 HE1 TRP 7 -8.835 -3.315 -3.327 67 HE3 TRP 7 HE3 TRP 7 -5.049 0.321 -4.341 68 HZ2 TRP 7 HZ2 TRP 7 -9.824 -0.671 -3.303 69 HZ3 TRP 7 HZ3 TRP 7 -6.708 2.125 -4.124 70 HH2 TRP 7 HH2 TRP 7 -9.045 1.637 -3.616 71 H PHE 8 H PHE 8 -2.502 -4.860 -3.420 72 HA PHE 8 HA PHE 8 -4.017 -6.292 -1.484 73 HB2 PHE 8 2HB PHE 8 -2.291 -6.929 -3.632 74 HB3 PHE 8 3HB PHE 8 -1.612 -7.689 -2.196 75 HD1 PHE 8 HD1 PHE 8 -2.375 -9.767 -1.577 76 HD2 PHE 8 HD2 PHE 8 -4.871 -7.270 -3.954 77 HE1 PHE 8 HE1 PHE 8 -4.015 -11.592 -1.766 78 HE2 PHE 8 HE2 PHE 8 -6.515 -9.090 -4.147 79 HZ PHE 8 HZ PHE 8 -6.089 -11.255 -3.051 80 H GLN 9 H GLN 9 -1.368 -4.258 -1.206 81 HA GLN 9 HA GLN 9 0.248 -5.462 0.706 82 HB2 GLN 9 2HB GLN 9 1.100 -3.480 -0.156 83 HB3 GLN 9 3HB GLN 9 -0.416 -2.615 0.058 84 HG2 GLN 9 2HG GLN 9 0.002 -2.130 2.242 85 HG3 GLN 9 3HG GLN 9 0.996 -3.565 2.487 86 HE21 GLN 9 2HE2 GLN 9 3.759 -1.475 2.490 87 HE22 GLN 9 1HE2 GLN 9 2.760 -2.596 3.344 88 H ASN 10 H ASN 10 -2.929 -4.116 1.001 89 HA ASN 10 HA ASN 10 -2.999 -3.585 3.750 90 HB2 ASN 10 2HB ASN 10 -5.067 -4.222 1.682 91 HB3 ASN 10 3HB ASN 10 -5.536 -4.200 3.380 92 HD21 ASN 10 2HD2 ASN 10 -4.463 -0.743 1.488 93 HD22 ASN 10 1HD2 ASN 10 -3.971 -2.279 0.869 94 H ARG 11 H ARG 11 -2.649 -6.521 2.127 95 HA ARG 11 HA ARG 11 -3.456 -8.012 4.538 96 HB2 ARG 11 2HB ARG 11 -3.320 -9.238 1.796 97 HB3 ARG 11 3HB ARG 11 -4.158 -9.831 3.224 98 HG2 ARG 11 2HG ARG 11 -4.926 -7.374 1.660 99 HG3 ARG 11 3HG ARG 11 -5.690 -8.959 1.516 100 HD2 ARG 11 2HD ARG 11 -5.673 -7.114 3.892 101 HD3 ARG 11 3HD ARG 11 -7.061 -7.665 2.955 102 HE ARG 11 HE ARG 11 -5.790 -9.038 5.117 103 HH11 ARG 11 1HH1 ARG 11 -7.592 -9.468 2.170 104 HH12 ARG 11 2HH1 ARG 11 -8.234 -11.008 2.633 105 HH21 ARG 11 2HH2 ARG 11 -7.687 -11.916 4.664 106 HH22 ARG 11 1HH2 ARG 11 -6.629 -11.066 5.739 107 H ARG 12 H ARG 12 -0.893 -7.027 2.642 108 HA ARG 12 HA ARG 12 0.768 -9.344 2.821 109 HB2 ARG 12 2HB ARG 12 1.329 -7.867 1.083 110 HB3 ARG 12 3HB ARG 12 1.256 -6.460 2.135 111 HG2 ARG 12 2HG ARG 12 3.547 -6.975 1.547 112 HG3 ARG 12 3HG ARG 12 3.285 -7.209 3.276 113 HD2 ARG 12 2HD ARG 12 4.570 -9.055 2.527 114 HD3 ARG 12 3HD ARG 12 2.929 -9.650 2.780 115 HE ARG 12 HE ARG 12 3.406 -8.824 0.081 116 HH11 ARG 12 1HH1 ARG 12 3.796 -11.431 2.355 117 HH12 ARG 12 2HH1 ARG 12 3.840 -12.662 1.136 118 HH21 ARG 12 2HH2 ARG 12 3.651 -12.094 -1.075 119 HH22 ARG 12 1HH2 ARG 12 3.463 -10.435 -1.533 120 H MET 13 H MET 13 -0.064 -6.796 4.968 121 HA MET 13 HA MET 13 2.099 -7.613 6.795 122 HB2 MET 13 2HB MET 13 1.445 -5.291 7.872 123 HB3 MET 13 3HB MET 13 2.567 -5.383 6.521 124 HG2 MET 13 2HG MET 13 0.765 -4.847 4.973 125 HG3 MET 13 3HG MET 13 -0.373 -4.778 6.317 126 HE1 MET 13 3HE MET 13 -0.665 -1.240 6.122 127 HE2 MET 13 1HE MET 13 -1.323 -2.872 6.246 128 HE3 MET 13 2HE MET 13 -0.685 -2.068 7.680 129 H LYS 14 H LYS 14 -1.281 -7.361 6.294 130 HA LYS 14 HA LYS 14 -2.003 -7.506 9.085 131 HB2 LYS 14 2HB LYS 14 -3.324 -6.642 6.875 132 HB3 LYS 14 3HB LYS 14 -4.007 -8.253 7.049 133 HG2 LYS 14 2HG LYS 14 -4.337 -7.531 9.535 134 HG3 LYS 14 3HG LYS 14 -4.207 -5.902 8.868 135 HD2 LYS 14 2HD LYS 14 -6.400 -6.074 8.458 136 HD3 LYS 14 3HD LYS 14 -5.937 -7.135 7.126 137 HE2 LYS 14 2HE LYS 14 -5.925 -8.917 9.122 138 HE3 LYS 14 3HE LYS 14 -7.118 -7.787 9.761 139 HZ1 LYS 14 3HZ LYS 14 -7.250 -9.457 7.350 140 HZ2 LYS 14 1HZ LYS 14 -8.103 -7.996 7.379 141 HZ3 LYS 14 2HZ LYS 14 -8.426 -9.187 8.536 142 H TRP 15 H TRP 15 -0.234 -9.545 8.426 143 HA TRP 15 HA TRP 15 -1.679 -11.979 7.918 144 HB2 TRP 15 2HB TRP 15 1.079 -11.158 8.060 145 HB3 TRP 15 3HB TRP 15 0.832 -12.599 9.042 146 HD1 TRP 15 HD1 TRP 15 0.522 -11.382 5.406 147 HE1 TRP 15 HE1 TRP 15 0.558 -13.437 3.858 148 HE3 TRP 15 HE3 TRP 15 0.405 -15.067 8.947 149 HZ2 TRP 15 HZ2 TRP 15 0.538 -16.249 4.105 150 HZ3 TRP 15 HZ3 TRP 15 0.415 -17.414 8.208 151 HH2 TRP 15 HH2 TRP 15 0.480 -17.991 5.837 152 H LYS 16 H LYS 16 -0.661 -10.171 10.708 153 HA LYS 16 HA LYS 16 -0.881 -12.254 12.621 154 HB2 LYS 16 2HB LYS 16 -0.931 -10.430 14.282 155 HB3 LYS 16 3HB LYS 16 0.369 -10.228 13.114 156 HG2 LYS 16 2HG LYS 16 -1.939 -8.877 12.142 157 HG3 LYS 16 3HG LYS 16 -1.661 -8.398 13.818 158 HD2 LYS 16 2HD LYS 16 0.629 -8.482 11.898 159 HD3 LYS 16 3HD LYS 16 -0.483 -7.112 11.874 160 HE2 LYS 16 2HE LYS 16 -0.065 -6.814 14.309 161 HE3 LYS 16 3HE LYS 16 1.151 -8.087 14.214 162 HZ1 LYS 16 3HZ LYS 16 1.398 -5.347 13.568 163 HZ2 LYS 16 1HZ LYS 16 1.745 -6.283 12.202 164 HZ3 LYS 16 2HZ LYS 16 2.601 -6.535 13.639 165 H LYS 17 H LYS 17 -3.176 -10.126 11.103 166 HA LYS 17 HA LYS 17 -5.301 -11.150 12.863 167 HB2 LYS 17 2HB LYS 17 -5.130 -8.650 11.184 168 HB3 LYS 17 3HB LYS 17 -6.638 -9.219 11.888 169 HG2 LYS 17 2HG LYS 17 -5.777 -8.954 14.105 170 HG3 LYS 17 3HG LYS 17 -4.166 -8.588 13.485 171 HD2 LYS 17 2HD LYS 17 -4.719 -6.458 12.926 172 HD3 LYS 17 3HD LYS 17 -6.381 -6.884 12.512 173 HE2 LYS 17 2HE LYS 17 -6.306 -7.343 15.212 174 HE3 LYS 17 3HE LYS 17 -5.251 -5.941 15.038 175 HZ1 LYS 17 3HZ LYS 17 -7.040 -4.825 13.820 176 HZ2 LYS 17 1HZ LYS 17 -7.514 -5.242 15.390 177 HZ3 LYS 17 2HZ LYS 17 -8.051 -6.157 14.073 Start of MODEL 13 1 H1 ASP 1 H ASP 1 5.675 -1.913 -1.574 2 HA ASP 1 HA ASP 1 3.484 -1.655 -2.873 3 HB2 ASP 1 2HB ASP 1 3.343 0.993 -3.306 4 HB3 ASP 1 3HB ASP 1 2.427 0.183 -2.038 5 H ARG 2 H ARG 2 4.151 -2.143 -4.847 6 HA ARG 2 HA ARG 2 6.402 -0.622 -5.988 7 HB2 ARG 2 2HB ARG 2 5.751 -3.555 -6.157 8 HB3 ARG 2 3HB ARG 2 6.777 -2.773 -7.352 9 HG2 ARG 2 2HG ARG 2 8.436 -2.281 -5.765 10 HG3 ARG 2 3HG ARG 2 7.354 -2.620 -4.413 11 HD2 ARG 2 2HD ARG 2 8.216 -4.672 -4.370 12 HD3 ARG 2 3HD ARG 2 7.374 -4.970 -5.890 13 HE ARG 2 HE ARG 2 9.668 -3.809 -6.699 14 HH11 ARG 2 1HH1 ARG 2 8.988 -6.469 -4.558 15 HH12 ARG 2 2HH1 ARG 2 10.463 -7.304 -4.915 16 HH21 ARG 2 2HH2 ARG 2 11.957 -6.410 -6.405 17 HH22 ARG 2 1HH2 ARG 2 11.614 -4.899 -7.178 18 H GLN 3 H GLN 3 4.194 -3.007 -7.405 19 HA GLN 3 HA GLN 3 3.281 -0.924 -9.279 20 HB2 GLN 3 2HB GLN 3 3.698 -3.861 -9.863 21 HB3 GLN 3 3HB GLN 3 3.110 -2.658 -11.003 22 HG2 GLN 3 2HG GLN 3 5.710 -2.111 -9.710 23 HG3 GLN 3 3HG GLN 3 5.656 -3.429 -10.880 24 HE21 GLN 3 2HE2 GLN 3 6.436 -0.112 -12.481 25 HE22 GLN 3 1HE2 GLN 3 7.052 -0.913 -11.079 26 H ILE 4 H ILE 4 2.314 -4.265 -8.498 27 HA ILE 4 HA ILE 4 -0.444 -3.281 -8.172 28 HB ILE 4 HB ILE 4 -1.188 -5.559 -8.756 29 HG12 ILE 4 2HG1 ILE 4 1.197 -6.468 -8.070 30 HG13 ILE 4 3HG1 ILE 4 0.233 -7.293 -9.291 31 HG21 ILE 4 1HG2 ILE 4 -1.247 -4.044 -10.541 32 HG22 ILE 4 2HG2 ILE 4 0.508 -4.036 -10.706 33 HG23 ILE 4 3HG2 ILE 4 -0.415 -5.458 -11.189 34 HD11 ILE 4 3HD1 ILE 4 2.772 -6.753 -9.674 35 HD12 ILE 4 1HD1 ILE 4 1.606 -6.663 -10.994 36 HD13 ILE 4 2HD1 ILE 4 2.130 -5.190 -10.178 37 H LYS 5 H LYS 5 2.184 -4.889 -6.670 38 HA LYS 5 HA LYS 5 0.892 -6.450 -4.750 39 HB2 LYS 5 2HB LYS 5 2.950 -6.397 -3.515 40 HB3 LYS 5 3HB LYS 5 3.345 -6.449 -5.228 41 HG2 LYS 5 2HG LYS 5 3.719 -4.010 -5.183 42 HG3 LYS 5 3HG LYS 5 3.417 -4.025 -3.444 43 HD2 LYS 5 2HD LYS 5 5.604 -5.543 -4.866 44 HD3 LYS 5 3HD LYS 5 5.816 -4.052 -3.946 45 HE2 LYS 5 2HE LYS 5 4.792 -5.333 -1.985 46 HE3 LYS 5 3HE LYS 5 5.069 -6.785 -2.946 47 HZ1 LYS 5 3HZ LYS 5 7.343 -6.544 -2.812 48 HZ2 LYS 5 1HZ LYS 5 6.858 -6.014 -1.280 49 HZ3 LYS 5 2HZ LYS 5 7.271 -4.888 -2.472 50 H ILE 6 H ILE 6 1.079 -3.046 -5.072 51 HA ILE 6 HA ILE 6 0.958 -2.087 -2.500 52 HB ILE 6 HB ILE 6 -0.293 -0.185 -3.344 53 HG12 ILE 6 2HG1 ILE 6 -0.770 -0.451 -5.974 54 HG13 ILE 6 3HG1 ILE 6 -1.016 -2.122 -5.478 55 HG21 ILE 6 1HG2 ILE 6 1.579 0.542 -4.288 56 HG22 ILE 6 2HG2 ILE 6 2.151 -1.124 -4.354 57 HG23 ILE 6 3HG2 ILE 6 1.281 -0.436 -5.725 58 HD11 ILE 6 3HD1 ILE 6 -2.881 -0.101 -5.413 59 HD12 ILE 6 1HD1 ILE 6 -2.995 -1.658 -4.592 60 HD13 ILE 6 2HD1 ILE 6 -2.370 -0.250 -3.732 61 H TRP 7 H TRP 7 -1.523 -3.746 -4.322 62 HA TRP 7 HA TRP 7 -3.680 -3.123 -2.571 63 HB2 TRP 7 2HB TRP 7 -3.790 -3.960 -5.004 64 HB3 TRP 7 3HB TRP 7 -3.550 -5.568 -4.325 65 HD1 TRP 7 HD1 TRP 7 -5.542 -6.550 -2.775 66 HE1 TRP 7 HE1 TRP 7 -8.057 -6.005 -2.717 67 HE3 TRP 7 HE3 TRP 7 -5.466 -2.103 -5.296 68 HZ2 TRP 7 HZ2 TRP 7 -9.780 -3.960 -3.621 69 HZ3 TRP 7 HZ3 TRP 7 -7.591 -0.916 -5.657 70 HH2 TRP 7 HH2 TRP 7 -9.702 -1.827 -4.837 71 H PHE 8 H PHE 8 -1.600 -5.983 -2.948 72 HA PHE 8 HA PHE 8 -2.772 -7.341 -0.715 73 HB2 PHE 8 2HB PHE 8 -0.918 -7.964 -2.813 74 HB3 PHE 8 3HB PHE 8 -0.217 -8.431 -1.267 75 HD1 PHE 8 HD1 PHE 8 -3.541 -8.613 -2.961 76 HD2 PHE 8 HD2 PHE 8 -0.593 -10.588 -0.612 77 HE1 PHE 8 HE1 PHE 8 -4.913 -10.655 -2.963 78 HE2 PHE 8 HE2 PHE 8 -1.959 -12.634 -0.611 79 HZ PHE 8 HZ PHE 8 -4.122 -12.670 -1.788 80 H GLN 9 H GLN 9 -0.706 -4.757 -0.922 81 HA GLN 9 HA GLN 9 1.045 -5.400 1.265 82 HB2 GLN 9 2HB GLN 9 2.020 -3.894 -0.208 83 HB3 GLN 9 3HB GLN 9 0.536 -2.972 -0.410 84 HG2 GLN 9 2HG GLN 9 0.877 -1.737 1.475 85 HG3 GLN 9 3HG GLN 9 1.813 -3.003 2.269 86 HE21 GLN 9 2HE2 GLN 9 4.901 -2.021 0.917 87 HE22 GLN 9 1HE2 GLN 9 3.999 -3.321 1.611 88 H ASN 10 H ASN 10 -2.080 -3.962 0.888 89 HA ASN 10 HA ASN 10 -2.232 -2.458 3.247 90 HB2 ASN 10 2HB ASN 10 -3.881 -2.600 1.250 91 HB3 ASN 10 3HB ASN 10 -4.593 -3.948 2.132 92 HD21 ASN 10 2HD2 ASN 10 -6.639 -1.721 3.789 93 HD22 ASN 10 1HD2 ASN 10 -6.465 -3.140 2.819 94 H ARG 11 H ARG 11 -1.947 -5.793 2.824 95 HA ARG 11 HA ARG 11 -2.906 -6.277 5.569 96 HB2 ARG 11 2HB ARG 11 -3.584 -8.468 4.966 97 HB3 ARG 11 3HB ARG 11 -4.212 -7.402 3.717 98 HG2 ARG 11 2HG ARG 11 -1.676 -8.211 2.838 99 HG3 ARG 11 3HG ARG 11 -2.467 -9.656 3.471 100 HD2 ARG 11 2HD ARG 11 -3.778 -7.760 1.534 101 HD3 ARG 11 3HD ARG 11 -2.859 -9.178 1.029 102 HE ARG 11 HE ARG 11 -4.651 -10.210 2.761 103 HH11 ARG 11 1HH1 ARG 11 -4.957 -8.118 -0.004 104 HH12 ARG 11 2HH1 ARG 11 -6.540 -8.683 -0.421 105 HH21 ARG 11 2HH2 ARG 11 -7.552 -10.301 0.847 106 HH22 ARG 11 1HH2 ARG 11 -6.736 -10.963 2.223 107 H ARG 12 H ARG 12 -0.239 -5.438 4.597 108 HA ARG 12 HA ARG 12 1.564 -7.599 4.628 109 HB2 ARG 12 2HB ARG 12 3.273 -5.860 5.181 110 HB3 ARG 12 3HB ARG 12 2.282 -5.473 3.780 111 HG2 ARG 12 2HG ARG 12 1.695 -3.550 4.697 112 HG3 ARG 12 3HG ARG 12 1.038 -4.393 6.101 113 HD2 ARG 12 2HD ARG 12 3.950 -3.703 5.745 114 HD3 ARG 12 3HD ARG 12 2.799 -2.709 6.638 115 HE ARG 12 HE ARG 12 2.541 -5.109 7.826 116 HH11 ARG 12 1HH1 ARG 12 5.315 -3.161 7.034 117 HH12 ARG 12 2HH1 ARG 12 6.262 -3.734 8.367 118 HH21 ARG 12 2HH2 ARG 12 5.386 -5.277 9.817 119 HH22 ARG 12 1HH2 ARG 12 3.777 -5.872 9.585 120 H MET 13 H MET 13 -0.098 -5.922 7.158 121 HA MET 13 HA MET 13 1.447 -7.440 9.157 122 HB2 MET 13 2HB MET 13 0.417 -5.565 10.710 123 HB3 MET 13 3HB MET 13 1.905 -5.292 9.814 124 HG2 MET 13 2HG MET 13 0.658 -4.133 8.074 125 HG3 MET 13 3HG MET 13 -0.844 -4.429 8.947 126 HE1 MET 13 3HE MET 13 -1.016 -1.132 9.043 127 HE2 MET 13 1HE MET 13 0.674 -0.695 8.784 128 HE3 MET 13 2HE MET 13 -0.069 -1.960 7.805 129 H LYS 14 H LYS 14 -1.631 -6.767 7.801 130 HA LYS 14 HA LYS 14 -3.162 -7.783 10.025 131 HB2 LYS 14 2HB LYS 14 -3.824 -6.888 7.236 132 HB3 LYS 14 3HB LYS 14 -5.019 -7.740 8.206 133 HG2 LYS 14 2HG LYS 14 -5.172 -6.021 9.758 134 HG3 LYS 14 3HG LYS 14 -3.624 -5.321 9.280 135 HD2 LYS 14 2HD LYS 14 -4.809 -3.883 8.049 136 HD3 LYS 14 3HD LYS 14 -5.122 -5.236 6.959 137 HE2 LYS 14 2HE LYS 14 -7.254 -5.509 7.694 138 HE3 LYS 14 3HE LYS 14 -6.869 -4.999 9.337 139 HZ1 LYS 14 3HZ LYS 14 -6.618 -2.694 8.329 140 HZ2 LYS 14 1HZ LYS 14 -8.190 -3.302 8.478 141 HZ3 LYS 14 2HZ LYS 14 -7.419 -3.312 6.973 142 H TRP 15 H TRP 15 -1.230 -9.625 9.314 143 HA TRP 15 HA TRP 15 -2.810 -11.759 8.034 144 HB2 TRP 15 2HB TRP 15 -0.045 -10.904 7.672 145 HB3 TRP 15 3HB TRP 15 -0.175 -12.625 8.024 146 HD1 TRP 15 HD1 TRP 15 0.051 -10.517 5.156 147 HE1 TRP 15 HE1 TRP 15 -1.049 -11.560 3.076 148 HE3 TRP 15 HE3 TRP 15 -2.723 -14.152 7.441 149 HZ2 TRP 15 HZ2 TRP 15 -2.855 -13.646 2.482 150 HZ3 TRP 15 HZ3 TRP 15 -4.111 -15.629 6.046 151 HH2 TRP 15 HH2 TRP 15 -4.175 -15.380 3.618 152 H LYS 16 H LYS 16 -0.888 -10.812 10.777 153 HA LYS 16 HA LYS 16 -0.590 -13.372 11.952 154 HB2 LYS 16 2HB LYS 16 -0.091 -12.113 14.028 155 HB3 LYS 16 3HB LYS 16 0.826 -11.536 12.642 156 HG2 LYS 16 2HG LYS 16 0.179 -9.533 13.456 157 HG3 LYS 16 3HG LYS 16 -1.252 -9.873 12.480 158 HD2 LYS 16 2HD LYS 16 -2.320 -9.405 14.420 159 HD3 LYS 16 3HD LYS 16 -1.963 -11.100 14.760 160 HE2 LYS 16 2HE LYS 16 0.266 -9.416 15.472 161 HE3 LYS 16 3HE LYS 16 -1.210 -8.867 16.266 162 HZ1 LYS 16 3HZ LYS 16 -0.436 -10.425 17.737 163 HZ2 LYS 16 1HZ LYS 16 0.196 -11.433 16.534 164 HZ3 LYS 16 2HZ LYS 16 -1.473 -11.378 16.800 165 H LYS 17 H LYS 17 -3.179 -11.057 11.893 166 HA LYS 17 HA LYS 17 -4.622 -11.917 14.148 167 HB2 LYS 17 2HB LYS 17 -6.562 -10.841 13.072 168 HB3 LYS 17 3HB LYS 17 -5.132 -9.818 13.032 169 HG2 LYS 17 2HG LYS 17 -5.486 -9.568 10.860 170 HG3 LYS 17 3HG LYS 17 -5.029 -11.262 10.659 171 HD2 LYS 17 2HD LYS 17 -7.507 -11.739 11.262 172 HD3 LYS 17 3HD LYS 17 -7.759 -10.043 10.840 173 HE2 LYS 17 2HE LYS 17 -6.156 -11.287 8.828 174 HE3 LYS 17 3HE LYS 17 -7.591 -12.271 9.112 175 HZ1 LYS 17 3HZ LYS 17 -8.982 -10.394 8.684 176 HZ2 LYS 17 1HZ LYS 17 -7.892 -10.538 7.398 177 HZ3 LYS 17 2HZ LYS 17 -7.654 -9.352 8.580 Start of MODEL 14 1 H1 ASP 1 H ASP 1 7.036 -7.368 0.523 2 HA ASP 1 HA ASP 1 8.161 -5.642 -0.827 3 HB2 ASP 1 2HB ASP 1 6.790 -7.012 -3.145 4 HB3 ASP 1 3HB ASP 1 7.928 -5.670 -3.217 5 H ARG 2 H ARG 2 7.113 -3.705 -1.327 6 HA ARG 2 HA ARG 2 4.183 -3.781 -1.017 7 HB2 ARG 2 2HB ARG 2 6.242 -1.858 0.027 8 HB3 ARG 2 3HB ARG 2 4.567 -1.362 -0.171 9 HG2 ARG 2 2HG ARG 2 3.817 -2.722 1.513 10 HG3 ARG 2 3HG ARG 2 5.158 -3.856 1.340 11 HD2 ARG 2 2HD ARG 2 5.788 -2.818 3.271 12 HD3 ARG 2 3HD ARG 2 6.565 -1.753 2.099 13 HE ARG 2 HE ARG 2 4.105 -0.650 2.469 14 HH11 ARG 2 1HH1 ARG 2 6.713 -1.570 4.584 15 HH12 ARG 2 2HH1 ARG 2 6.365 -0.344 5.759 16 HH21 ARG 2 2HH2 ARG 2 4.616 1.098 5.431 17 HH22 ARG 2 1HH2 ARG 2 3.638 0.967 4.009 18 H GLN 3 H GLN 3 6.872 -2.587 -2.849 19 HA GLN 3 HA GLN 3 5.776 -0.473 -4.244 20 HB2 GLN 3 2HB GLN 3 8.149 -1.550 -4.347 21 HB3 GLN 3 3HB GLN 3 7.471 -2.502 -5.660 22 HG2 GLN 3 2HG GLN 3 7.347 -0.732 -7.071 23 HG3 GLN 3 3HG GLN 3 7.084 0.429 -5.771 24 HE21 GLN 3 2HE2 GLN 3 10.699 -0.017 -7.347 25 HE22 GLN 3 1HE2 GLN 3 9.242 -0.654 -8.023 26 H ILE 4 H ILE 4 5.702 -3.913 -5.173 27 HA ILE 4 HA ILE 4 3.832 -3.377 -7.311 28 HB ILE 4 HB ILE 4 3.872 -5.820 -7.674 29 HG12 ILE 4 2HG1 ILE 4 5.902 -5.900 -5.437 30 HG13 ILE 4 3HG1 ILE 4 4.221 -6.382 -5.242 31 HG21 ILE 4 1HG2 ILE 4 5.481 -4.569 -8.875 32 HG22 ILE 4 2HG2 ILE 4 6.503 -4.383 -7.452 33 HG23 ILE 4 3HG2 ILE 4 6.335 -5.963 -8.215 34 HD11 ILE 4 3HD1 ILE 4 4.583 -8.370 -6.163 35 HD12 ILE 4 1HD1 ILE 4 5.514 -7.684 -7.494 36 HD13 ILE 4 2HD1 ILE 4 6.297 -8.020 -5.949 37 H LYS 5 H LYS 5 3.731 -4.428 -4.010 38 HA LYS 5 HA LYS 5 0.927 -5.237 -4.258 39 HB2 LYS 5 2HB LYS 5 3.123 -5.856 -2.407 40 HB3 LYS 5 3HB LYS 5 1.576 -5.580 -1.617 41 HG2 LYS 5 2HG LYS 5 1.753 -7.905 -2.032 42 HG3 LYS 5 3HG LYS 5 0.577 -7.261 -3.180 43 HD2 LYS 5 2HD LYS 5 2.262 -7.238 -4.929 44 HD3 LYS 5 3HD LYS 5 3.486 -7.797 -3.786 45 HE2 LYS 5 2HE LYS 5 1.297 -9.589 -3.647 46 HE3 LYS 5 3HE LYS 5 1.663 -9.330 -5.352 47 HZ1 LYS 5 3HZ LYS 5 2.989 -11.001 -3.625 48 HZ2 LYS 5 1HZ LYS 5 4.038 -9.689 -3.829 49 HZ3 LYS 5 2HZ LYS 5 3.489 -10.552 -5.177 50 H ILE 6 H ILE 6 0.244 -3.022 -4.653 51 HA ILE 6 HA ILE 6 0.252 -1.348 -2.231 52 HB ILE 6 HB ILE 6 -0.529 0.464 -3.879 53 HG12 ILE 6 2HG1 ILE 6 -0.799 -1.469 -5.667 54 HG13 ILE 6 3HG1 ILE 6 -0.310 0.152 -6.150 55 HG21 ILE 6 1HG2 ILE 6 1.621 0.603 -2.878 56 HG22 ILE 6 2HG2 ILE 6 2.254 -0.682 -3.905 57 HG23 ILE 6 3HG2 ILE 6 1.841 0.883 -4.605 58 HD11 ILE 6 3HD1 ILE 6 0.959 -1.949 -7.030 59 HD12 ILE 6 1HD1 ILE 6 1.841 -0.485 -6.595 60 HD13 ILE 6 2HD1 ILE 6 1.786 -1.848 -5.476 61 H TRP 7 H TRP 7 -1.772 -2.834 -4.679 62 HA TRP 7 HA TRP 7 -4.197 -1.705 -3.551 63 HB2 TRP 7 2HB TRP 7 -3.747 -2.172 -6.053 64 HB3 TRP 7 3HB TRP 7 -4.098 -3.852 -5.656 65 HD1 TRP 7 HD1 TRP 7 -5.767 -0.654 -6.560 66 HE1 TRP 7 HE1 TRP 7 -8.323 -0.908 -6.397 67 HE3 TRP 7 HE3 TRP 7 -5.981 -5.122 -4.085 68 HZ2 TRP 7 HZ2 TRP 7 -10.184 -2.758 -5.355 69 HZ3 TRP 7 HZ3 TRP 7 -8.188 -6.065 -3.542 70 HH2 TRP 7 HH2 TRP 7 -10.245 -4.905 -4.164 71 H PHE 8 H PHE 8 -2.692 -4.902 -3.901 72 HA PHE 8 HA PHE 8 -4.739 -6.198 -2.350 73 HB2 PHE 8 2HB PHE 8 -2.561 -7.007 -4.034 74 HB3 PHE 8 3HB PHE 8 -2.438 -7.843 -2.490 75 HD1 PHE 8 HD1 PHE 8 -3.342 -9.940 -2.519 76 HD2 PHE 8 HD2 PHE 8 -5.221 -6.863 -4.781 77 HE1 PHE 8 HE1 PHE 8 -5.072 -11.533 -3.242 78 HE2 PHE 8 HE2 PHE 8 -6.955 -8.451 -5.507 79 HZ PHE 8 HZ PHE 8 -6.882 -10.789 -4.737 80 H GLN 9 H GLN 9 -2.273 -4.193 -1.519 81 HA GLN 9 HA GLN 9 -0.984 -5.400 0.627 82 HB2 GLN 9 2HB GLN 9 -0.079 -3.355 -0.007 83 HB3 GLN 9 3HB GLN 9 -1.647 -2.561 -0.054 84 HG2 GLN 9 2HG GLN 9 -1.658 -2.132 2.179 85 HG3 GLN 9 3HG GLN 9 -0.673 -3.542 2.568 86 HE21 GLN 9 2HE2 GLN 9 1.195 -0.134 1.264 87 HE22 GLN 9 1HE2 GLN 9 -0.384 -0.540 0.691 88 H ASN 10 H ASN 10 -4.217 -4.184 0.359 89 HA ASN 10 HA ASN 10 -4.786 -3.819 3.097 90 HB2 ASN 10 2HB ASN 10 -6.415 -4.200 0.623 91 HB3 ASN 10 3HB ASN 10 -7.213 -4.372 2.183 92 HD21 ASN 10 2HD2 ASN 10 -7.729 -0.909 1.400 93 HD22 ASN 10 1HD2 ASN 10 -8.318 -2.481 0.989 94 H ARG 11 H ARG 11 -4.050 -6.605 1.407 95 HA ARG 11 HA ARG 11 -5.559 -8.312 3.267 96 HB2 ARG 11 2HB ARG 11 -4.125 -9.258 0.794 97 HB3 ARG 11 3HB ARG 11 -5.394 -10.074 1.697 98 HG2 ARG 11 2HG ARG 11 -7.020 -8.445 0.943 99 HG3 ARG 11 3HG ARG 11 -5.756 -7.547 0.100 100 HD2 ARG 11 2HD ARG 11 -6.251 -8.776 -1.692 101 HD3 ARG 11 3HD ARG 11 -5.483 -10.125 -0.857 102 HE ARG 11 HE ARG 11 -7.540 -11.077 -0.649 103 HH11 ARG 11 1HH1 ARG 11 -7.954 -7.653 -1.123 104 HH12 ARG 11 2HH1 ARG 11 -9.683 -7.740 -1.193 105 HH21 ARG 11 2HH2 ARG 11 -10.741 -9.759 -0.973 106 HH22 ARG 11 1HH2 ARG 11 -9.816 -11.204 -0.738 107 H ARG 12 H ARG 12 -2.523 -7.021 2.737 108 HA ARG 12 HA ARG 12 -1.212 -9.226 4.186 109 HB2 ARG 12 2HB ARG 12 0.238 -7.103 2.621 110 HB3 ARG 12 3HB ARG 12 0.838 -8.667 3.157 111 HG2 ARG 12 2HG ARG 12 -1.291 -8.262 1.067 112 HG3 ARG 12 3HG ARG 12 0.414 -8.574 0.736 113 HD2 ARG 12 2HD ARG 12 -0.314 -10.575 2.511 114 HD3 ARG 12 3HD ARG 12 -1.711 -10.416 1.448 115 HE ARG 12 HE ARG 12 0.664 -10.497 -0.077 116 HH11 ARG 12 1HH1 ARG 12 -1.426 -12.532 1.824 117 HH12 ARG 12 2HH1 ARG 12 -1.026 -13.977 0.955 118 HH21 ARG 12 2HH2 ARG 12 0.468 -13.896 -0.780 119 HH22 ARG 12 1HH2 ARG 12 1.199 -12.392 -1.228 120 H MET 13 H MET 13 -2.345 -6.075 4.448 121 HA MET 13 HA MET 13 -0.559 -4.656 5.935 122 HB2 MET 13 2HB MET 13 -2.780 -4.012 7.288 123 HB3 MET 13 3HB MET 13 -2.456 -3.432 5.660 124 HG2 MET 13 2HG MET 13 -4.064 -4.723 4.726 125 HG3 MET 13 3HG MET 13 -3.870 -6.015 5.908 126 HE1 MET 13 3HE MET 13 -6.517 -3.161 4.940 127 HE2 MET 13 1HE MET 13 -6.227 -2.140 6.349 128 HE3 MET 13 2HE MET 13 -4.907 -2.504 5.238 129 H LYS 14 H LYS 14 -3.165 -6.377 7.630 130 HA LYS 14 HA LYS 14 -1.447 -6.696 9.944 131 HB2 LYS 14 2HB LYS 14 -4.352 -7.359 9.451 132 HB3 LYS 14 3HB LYS 14 -3.528 -7.684 10.970 133 HG2 LYS 14 2HG LYS 14 -3.198 -5.375 11.388 134 HG3 LYS 14 3HG LYS 14 -3.701 -4.941 9.752 135 HD2 LYS 14 2HD LYS 14 -5.962 -5.713 10.228 136 HD3 LYS 14 3HD LYS 14 -5.467 -6.205 11.849 137 HE2 LYS 14 2HE LYS 14 -5.789 -4.147 12.623 138 HE3 LYS 14 3HE LYS 14 -4.722 -3.474 11.391 139 HZ1 LYS 14 3HZ LYS 14 -7.490 -3.228 11.576 140 HZ2 LYS 14 1HZ LYS 14 -7.173 -4.165 10.203 141 HZ3 LYS 14 2HZ LYS 14 -6.474 -2.633 10.361 142 H TRP 15 H TRP 15 -1.613 -8.333 7.196 143 HA TRP 15 HA TRP 15 -1.692 -11.020 8.330 144 HB2 TRP 15 2HB TRP 15 -2.545 -10.043 5.923 145 HB3 TRP 15 3HB TRP 15 -0.979 -10.723 5.490 146 HD1 TRP 15 HD1 TRP 15 -0.669 -13.396 5.848 147 HE1 TRP 15 HE1 TRP 15 -2.404 -15.297 5.889 148 HE3 TRP 15 HE3 TRP 15 -4.898 -10.620 6.589 149 HZ2 TRP 15 HZ2 TRP 15 -5.196 -15.582 6.195 150 HZ3 TRP 15 HZ3 TRP 15 -7.060 -11.783 6.744 151 HH2 TRP 15 HH2 TRP 15 -7.204 -14.213 6.550 152 H LYS 16 H LYS 16 0.568 -8.633 7.276 153 HA LYS 16 HA LYS 16 2.780 -10.258 6.685 154 HB2 LYS 16 2HB LYS 16 4.131 -8.257 7.057 155 HB3 LYS 16 3HB LYS 16 2.687 -7.869 6.131 156 HG2 LYS 16 2HG LYS 16 2.668 -6.142 7.605 157 HG3 LYS 16 3HG LYS 16 1.725 -7.316 8.526 158 HD2 LYS 16 2HD LYS 16 3.191 -6.943 10.176 159 HD3 LYS 16 3HD LYS 16 4.305 -7.934 9.231 160 HE2 LYS 16 2HE LYS 16 5.474 -6.120 8.454 161 HE3 LYS 16 3HE LYS 16 4.095 -5.032 8.602 162 HZ1 LYS 16 3HZ LYS 16 6.051 -4.838 10.255 163 HZ2 LYS 16 1HZ LYS 16 5.331 -6.164 11.021 164 HZ3 LYS 16 2HZ LYS 16 4.467 -4.722 10.837 165 H LYS 17 H LYS 17 1.410 -9.196 9.711 166 HA LYS 17 HA LYS 17 3.538 -9.574 11.446 167 HB2 LYS 17 2HB LYS 17 0.607 -10.149 11.915 168 HB3 LYS 17 3HB LYS 17 1.819 -10.017 13.181 169 HG2 LYS 17 2HG LYS 17 2.040 -7.682 11.639 170 HG3 LYS 17 3HG LYS 17 0.314 -7.956 11.891 171 HD2 LYS 17 2HD LYS 17 2.304 -8.090 14.141 172 HD3 LYS 17 3HD LYS 17 1.540 -6.576 13.650 173 HE2 LYS 17 2HE LYS 17 -0.319 -7.092 14.755 174 HE3 LYS 17 3HE LYS 17 -0.435 -8.646 13.932 175 HZ1 LYS 17 3HZ LYS 17 1.555 -8.460 16.043 176 HZ2 LYS 17 1HZ LYS 17 0.505 -9.728 15.651 177 HZ3 LYS 17 2HZ LYS 17 -0.060 -8.408 16.544 Start of MODEL 15 1 H1 ASP 1 H ASP 1 6.230 -6.731 -7.427 2 HA ASP 1 HA ASP 1 4.958 -5.776 -4.990 3 HB2 ASP 1 2HB ASP 1 6.749 -7.878 -5.624 4 HB3 ASP 1 3HB ASP 1 7.603 -6.785 -4.539 5 H ARG 2 H ARG 2 6.900 -4.480 -7.331 6 HA ARG 2 HA ARG 2 8.192 -2.633 -5.434 7 HB2 ARG 2 2HB ARG 2 9.030 -3.593 -8.161 8 HB3 ARG 2 3HB ARG 2 9.699 -2.128 -7.455 9 HG2 ARG 2 2HG ARG 2 10.589 -3.379 -5.595 10 HG3 ARG 2 3HG ARG 2 9.825 -4.855 -6.188 11 HD2 ARG 2 2HD ARG 2 11.392 -5.183 -7.780 12 HD3 ARG 2 3HD ARG 2 11.570 -3.460 -8.107 13 HE ARG 2 HE ARG 2 12.652 -4.181 -5.570 14 HH11 ARG 2 1HH1 ARG 2 13.289 -4.199 -8.992 15 HH12 ARG 2 2HH1 ARG 2 15.011 -4.177 -8.804 16 HH21 ARG 2 2HH2 ARG 2 15.936 -4.151 -6.709 17 HH22 ARG 2 1HH2 ARG 2 14.918 -4.152 -5.309 18 H GLN 3 H GLN 3 6.237 -2.924 -8.322 19 HA GLN 3 HA GLN 3 6.131 -0.059 -8.735 20 HB2 GLN 3 2HB GLN 3 6.019 -1.976 -10.522 21 HB3 GLN 3 3HB GLN 3 4.310 -1.997 -10.110 22 HG2 GLN 3 2HG GLN 3 3.936 -0.258 -11.416 23 HG3 GLN 3 3HG GLN 3 5.124 0.700 -10.534 24 HE21 GLN 3 2HE2 GLN 3 5.857 -0.415 -14.262 25 HE22 GLN 3 1HE2 GLN 3 4.313 -0.478 -13.490 26 H ILE 4 H ILE 4 3.669 -2.578 -8.152 27 HA ILE 4 HA ILE 4 2.108 -0.558 -6.677 28 HB ILE 4 HB ILE 4 0.108 -2.054 -7.348 29 HG12 ILE 4 2HG1 ILE 4 1.664 -2.649 -9.816 30 HG13 ILE 4 3HG1 ILE 4 1.944 -3.676 -8.414 31 HG21 ILE 4 1HG2 ILE 4 0.899 0.299 -8.204 32 HG22 ILE 4 2HG2 ILE 4 1.210 -0.589 -9.695 33 HG23 ILE 4 3HG2 ILE 4 -0.414 -0.560 -9.008 34 HD11 ILE 4 3HD1 ILE 4 -0.701 -3.183 -9.760 35 HD12 ILE 4 1HD1 ILE 4 0.276 -4.646 -9.866 36 HD13 ILE 4 2HD1 ILE 4 -0.451 -4.181 -8.328 37 H LYS 5 H LYS 5 3.246 -1.308 -4.771 38 HA LYS 5 HA LYS 5 2.531 -3.999 -3.861 39 HB2 LYS 5 2HB LYS 5 4.140 -3.529 -2.011 40 HB3 LYS 5 3HB LYS 5 4.863 -3.473 -3.614 41 HG2 LYS 5 2HG LYS 5 5.653 -1.461 -3.155 42 HG3 LYS 5 3HG LYS 5 3.999 -0.859 -3.030 43 HD2 LYS 5 2HD LYS 5 3.936 -1.348 -0.681 44 HD3 LYS 5 3HD LYS 5 5.497 -2.168 -0.763 45 HE2 LYS 5 2HE LYS 5 5.841 0.430 -1.832 46 HE3 LYS 5 3HE LYS 5 4.940 0.596 -0.325 47 HZ1 LYS 5 3HZ LYS 5 7.412 0.649 -0.100 48 HZ2 LYS 5 1HZ LYS 5 7.440 -0.981 -0.553 49 HZ3 LYS 5 2HZ LYS 5 6.642 -0.510 0.862 50 H ILE 6 H ILE 6 0.669 -1.661 -4.016 51 HA ILE 6 HA ILE 6 -0.066 -1.522 -1.164 52 HB ILE 6 HB ILE 6 -1.492 0.498 -2.093 53 HG12 ILE 6 2HG1 ILE 6 -0.257 1.734 -3.837 54 HG13 ILE 6 3HG1 ILE 6 0.855 0.378 -4.002 55 HG21 ILE 6 1HG2 ILE 6 0.123 0.723 -0.334 56 HG22 ILE 6 2HG2 ILE 6 1.456 0.592 -1.480 57 HG23 ILE 6 3HG2 ILE 6 0.401 2.004 -1.514 58 HD11 ILE 6 3HD1 ILE 6 -1.294 0.766 -5.564 59 HD12 ILE 6 1HD1 ILE 6 -0.587 -0.817 -5.237 60 HD13 ILE 6 2HD1 ILE 6 -1.993 -0.272 -4.321 61 H TRP 7 H TRP 7 -0.933 -2.725 -4.190 62 HA TRP 7 HA TRP 7 -3.790 -2.707 -3.762 63 HB2 TRP 7 2HB TRP 7 -2.715 -2.597 -6.037 64 HB3 TRP 7 3HB TRP 7 -2.228 -4.275 -5.820 65 HD1 TRP 7 HD1 TRP 7 -4.513 -5.944 -5.195 66 HE1 TRP 7 HE1 TRP 7 -6.746 -5.976 -6.473 67 HE3 TRP 7 HE3 TRP 7 -4.234 -1.354 -7.429 68 HZ2 TRP 7 HZ2 TRP 7 -8.198 -4.280 -8.201 69 HZ3 TRP 7 HZ3 TRP 7 -6.086 -0.635 -8.880 70 HH2 TRP 7 HH2 TRP 7 -8.026 -2.069 -9.257 71 H PHE 8 H PHE 8 -1.260 -5.212 -3.923 72 HA PHE 8 HA PHE 8 -3.036 -7.255 -2.964 73 HB2 PHE 8 2HB PHE 8 -0.438 -7.140 -4.157 74 HB3 PHE 8 3HB PHE 8 -0.332 -8.071 -2.666 75 HD1 PHE 8 HD1 PHE 8 -0.813 -10.318 -2.728 76 HD2 PHE 8 HD2 PHE 8 -2.452 -7.768 -5.716 77 HE1 PHE 8 HE1 PHE 8 -1.745 -12.279 -3.886 78 HE2 PHE 8 HE2 PHE 8 -3.388 -9.724 -6.878 79 HZ PHE 8 HZ PHE 8 -3.036 -11.984 -5.963 80 H GLN 9 H GLN 9 -0.986 -4.906 -1.535 81 HA GLN 9 HA GLN 9 -0.280 -6.148 0.864 82 HB2 GLN 9 2HB GLN 9 0.803 -4.127 0.486 83 HB3 GLN 9 3HB GLN 9 -0.682 -3.299 0.036 84 HG2 GLN 9 2HG GLN 9 -1.262 -2.863 2.193 85 HG3 GLN 9 3HG GLN 9 -0.431 -4.285 2.822 86 HE21 GLN 9 2HE2 GLN 9 2.776 -2.670 2.855 87 HE22 GLN 9 1HE2 GLN 9 2.032 -4.166 2.417 88 H ASN 10 H ASN 10 -3.309 -4.872 -0.223 89 HA ASN 10 HA ASN 10 -4.573 -4.424 2.240 90 HB2 ASN 10 2HB ASN 10 -5.311 -4.445 -0.508 91 HB3 ASN 10 3HB ASN 10 -6.473 -5.440 0.363 92 HD21 ASN 10 2HD2 ASN 10 -6.238 -1.428 1.062 93 HD22 ASN 10 1HD2 ASN 10 -4.936 -2.275 0.306 94 H ARG 11 H ARG 11 -3.475 -7.300 0.867 95 HA ARG 11 HA ARG 11 -5.440 -8.989 2.195 96 HB2 ARG 11 2HB ARG 11 -4.857 -9.856 0.100 97 HB3 ARG 11 3HB ARG 11 -3.150 -9.501 0.323 98 HG2 ARG 11 2HG ARG 11 -3.587 -11.892 0.436 99 HG3 ARG 11 3HG ARG 11 -2.980 -11.279 1.976 100 HD2 ARG 11 2HD ARG 11 -4.777 -12.064 3.014 101 HD3 ARG 11 3HD ARG 11 -5.817 -11.082 1.983 102 HE ARG 11 HE ARG 11 -5.051 -13.369 0.560 103 HH11 ARG 11 1HH1 ARG 11 -6.993 -12.469 3.306 104 HH12 ARG 11 2HH1 ARG 11 -8.089 -13.799 3.131 105 HH21 ARG 11 2HH2 ARG 11 -7.801 -15.309 1.433 106 HH22 ARG 11 1HH2 ARG 11 -6.488 -15.124 0.319 107 H ARG 12 H ARG 12 -2.221 -7.786 2.652 108 HA ARG 12 HA ARG 12 -1.984 -9.422 5.092 109 HB2 ARG 12 2HB ARG 12 -0.166 -9.133 2.895 110 HB3 ARG 12 3HB ARG 12 0.575 -8.468 4.345 111 HG2 ARG 12 2HG ARG 12 -0.365 -10.762 5.352 112 HG3 ARG 12 3HG ARG 12 -0.121 -11.254 3.675 113 HD2 ARG 12 2HD ARG 12 1.951 -11.716 4.509 114 HD3 ARG 12 3HD ARG 12 2.196 -10.037 4.031 115 HE ARG 12 HE ARG 12 2.474 -9.503 6.232 116 HH11 ARG 12 1HH1 ARG 12 0.845 -12.573 6.022 117 HH12 ARG 12 2HH1 ARG 12 0.904 -12.868 7.728 118 HH21 ARG 12 2HH2 ARG 12 1.877 -11.335 9.125 119 HH22 ARG 12 1HH2 ARG 12 2.557 -9.880 8.480 120 H MET 13 H MET 13 -3.176 -7.668 6.126 121 HA MET 13 HA MET 13 -1.438 -5.363 6.720 122 HB2 MET 13 2HB MET 13 -3.888 -4.442 7.402 123 HB3 MET 13 3HB MET 13 -3.153 -4.191 5.824 124 HG2 MET 13 2HG MET 13 -4.481 -5.767 4.801 125 HG3 MET 13 3HG MET 13 -4.800 -6.626 6.306 126 HE1 MET 13 3HE MET 13 -7.105 -5.475 8.133 127 HE2 MET 13 1HE MET 13 -8.178 -5.914 6.804 128 HE3 MET 13 2HE MET 13 -6.703 -6.839 7.089 129 H LYS 14 H LYS 14 -4.427 -6.580 8.203 130 HA LYS 14 HA LYS 14 -3.085 -6.517 10.805 131 HB2 LYS 14 2HB LYS 14 -5.701 -5.828 9.896 132 HB3 LYS 14 3HB LYS 14 -5.853 -7.141 11.057 133 HG2 LYS 14 2HG LYS 14 -4.044 -4.958 11.841 134 HG3 LYS 14 3HG LYS 14 -5.755 -4.538 11.727 135 HD2 LYS 14 2HD LYS 14 -4.970 -7.031 13.163 136 HD3 LYS 14 3HD LYS 14 -4.740 -5.475 13.964 137 HE2 LYS 14 2HE LYS 14 -7.356 -6.230 12.700 138 HE3 LYS 14 3HE LYS 14 -6.954 -6.710 14.348 139 HZ1 LYS 14 3HZ LYS 14 -7.453 -4.025 13.265 140 HZ2 LYS 14 1HZ LYS 14 -6.428 -4.192 14.601 141 HZ3 LYS 14 2HZ LYS 14 -8.028 -4.733 14.690 142 H TRP 15 H TRP 15 -3.251 -8.695 8.525 143 HA TRP 15 HA TRP 15 -4.496 -10.966 9.535 144 HB2 TRP 15 2HB TRP 15 -2.849 -10.357 7.356 145 HB3 TRP 15 3HB TRP 15 -1.994 -11.627 8.228 146 HD1 TRP 15 HD1 TRP 15 -5.027 -11.023 6.048 147 HE1 TRP 15 HE1 TRP 15 -6.151 -13.276 5.515 148 HE3 TRP 15 HE3 TRP 15 -2.413 -14.015 9.265 149 HZ2 TRP 15 HZ2 TRP 15 -5.955 -15.966 6.348 150 HZ3 TRP 15 HZ3 TRP 15 -2.943 -16.417 9.336 151 HH2 TRP 15 HH2 TRP 15 -4.678 -17.370 7.908 152 H LYS 16 H LYS 16 -1.481 -9.468 10.424 153 HA LYS 16 HA LYS 16 -0.150 -11.539 11.683 154 HB2 LYS 16 2HB LYS 16 0.820 -9.750 13.162 155 HB3 LYS 16 3HB LYS 16 0.942 -9.432 11.437 156 HG2 LYS 16 2HG LYS 16 -1.497 -8.321 12.415 157 HG3 LYS 16 3HG LYS 16 -0.161 -7.790 13.439 158 HD2 LYS 16 2HD LYS 16 -0.112 -7.637 10.430 159 HD3 LYS 16 3HD LYS 16 -0.658 -6.314 11.463 160 HE2 LYS 16 2HE LYS 16 1.589 -6.502 12.632 161 HE3 LYS 16 3HE LYS 16 2.084 -7.539 11.295 162 HZ1 LYS 16 3HZ LYS 16 0.914 -4.910 10.708 163 HZ2 LYS 16 1HZ LYS 16 2.033 -5.811 9.814 164 HZ3 LYS 16 2HZ LYS 16 2.527 -4.995 11.211 165 H LYS 17 H LYS 17 -2.947 -9.738 12.735 166 HA LYS 17 HA LYS 17 -2.902 -11.128 15.323 167 HB2 LYS 17 2HB LYS 17 -3.691 -8.487 14.498 168 HB3 LYS 17 3HB LYS 17 -5.060 -9.310 15.234 169 HG2 LYS 17 2HG LYS 17 -4.106 -9.357 17.290 170 HG3 LYS 17 3HG LYS 17 -2.466 -9.479 16.649 171 HD2 LYS 17 2HD LYS 17 -3.393 -6.981 15.816 172 HD3 LYS 17 3HD LYS 17 -3.946 -7.146 17.485 173 HE2 LYS 17 2HE LYS 17 -1.789 -7.335 18.313 174 HE3 LYS 17 3HE LYS 17 -1.128 -7.838 16.758 175 HZ1 LYS 17 3HZ LYS 17 -0.491 -5.570 17.329 176 HZ2 LYS 17 1HZ LYS 17 -2.118 -5.112 17.398 177 HZ3 LYS 17 2HZ LYS 17 -1.439 -5.601 15.929 Start of MODEL 16 1 H1 ASP 1 H ASP 1 3.220 -6.875 -3.977 2 HA ASP 1 HA ASP 1 4.722 -8.323 -6.003 3 HB2 ASP 1 2HB ASP 1 2.541 -6.939 -6.855 4 HB3 ASP 1 3HB ASP 1 3.781 -5.691 -6.951 5 H ARG 2 H ARG 2 6.035 -6.200 -7.168 6 HA ARG 2 HA ARG 2 7.543 -5.144 -4.878 7 HB2 ARG 2 2HB ARG 2 8.337 -5.656 -7.745 8 HB3 ARG 2 3HB ARG 2 9.351 -4.772 -6.612 9 HG2 ARG 2 2HG ARG 2 9.102 -6.872 -5.122 10 HG3 ARG 2 3HG ARG 2 8.607 -7.664 -6.619 11 HD2 ARG 2 2HD ARG 2 10.690 -7.091 -7.673 12 HD3 ARG 2 3HD ARG 2 11.171 -6.117 -6.284 13 HE ARG 2 HE ARG 2 10.721 -8.669 -5.327 14 HH11 ARG 2 1HH1 ARG 2 12.841 -7.136 -7.624 15 HH12 ARG 2 2HH1 ARG 2 14.129 -8.271 -7.390 16 HH21 ARG 2 2HH2 ARG 2 13.882 -9.997 -5.905 17 HH22 ARG 2 1HH2 ARG 2 12.410 -10.170 -5.011 18 H GLN 3 H GLN 3 5.866 -4.245 -7.815 19 HA GLN 3 HA GLN 3 6.703 -1.524 -7.840 20 HB2 GLN 3 2HB GLN 3 4.193 -2.665 -9.069 21 HB3 GLN 3 3HB GLN 3 5.038 -1.196 -9.540 22 HG2 GLN 3 2HG GLN 3 6.880 -3.341 -9.698 23 HG3 GLN 3 3HG GLN 3 5.392 -3.839 -10.502 24 HE21 GLN 3 2HE2 GLN 3 7.571 -0.708 -11.978 25 HE22 GLN 3 1HE2 GLN 3 7.699 -1.165 -10.317 26 H ILE 4 H ILE 4 3.498 -2.921 -7.121 27 HA ILE 4 HA ILE 4 3.082 -0.714 -5.212 28 HB ILE 4 HB ILE 4 0.584 -1.147 -5.720 29 HG12 ILE 4 2HG1 ILE 4 1.498 -1.907 -8.450 30 HG13 ILE 4 3HG1 ILE 4 1.454 -3.174 -7.229 31 HG21 ILE 4 1HG2 ILE 4 2.204 0.794 -6.429 32 HG22 ILE 4 2HG2 ILE 4 1.966 0.112 -8.037 33 HG23 ILE 4 3HG2 ILE 4 0.580 0.679 -7.107 34 HD11 ILE 4 3HD1 ILE 4 -0.648 -2.288 -8.802 35 HD12 ILE 4 1HD1 ILE 4 -0.744 -3.358 -7.404 36 HD13 ILE 4 2HD1 ILE 4 -0.972 -1.621 -7.202 37 H LYS 5 H LYS 5 3.979 -2.159 -3.599 38 HA LYS 5 HA LYS 5 2.841 -4.661 -2.965 39 HB2 LYS 5 2HB LYS 5 4.039 -4.481 -0.861 40 HB3 LYS 5 3HB LYS 5 5.063 -3.927 -2.179 41 HG2 LYS 5 2HG LYS 5 5.473 -2.209 -0.798 42 HG3 LYS 5 3HG LYS 5 3.942 -1.593 -1.425 43 HD2 LYS 5 2HD LYS 5 2.865 -1.929 0.526 44 HD3 LYS 5 3HD LYS 5 3.700 -3.452 0.840 45 HE2 LYS 5 2HE LYS 5 4.958 -0.731 1.159 46 HE3 LYS 5 3HE LYS 5 4.210 -1.634 2.475 47 HZ1 LYS 5 3HZ LYS 5 6.108 -2.708 2.752 48 HZ2 LYS 5 1HZ LYS 5 6.813 -1.872 1.461 49 HZ3 LYS 5 2HZ LYS 5 6.008 -3.333 1.183 50 H ILE 6 H ILE 6 2.033 -1.377 -2.044 51 HA ILE 6 HA ILE 6 0.375 -1.851 0.135 52 HB ILE 6 HB ILE 6 -0.701 0.266 -0.351 53 HG12 ILE 6 2HG1 ILE 6 0.350 1.377 -2.567 54 HG13 ILE 6 3HG1 ILE 6 0.304 -0.305 -3.084 55 HG21 ILE 6 1HG2 ILE 6 1.977 -0.103 0.116 56 HG22 ILE 6 2HG2 ILE 6 1.970 1.035 -1.229 57 HG23 ILE 6 3HG2 ILE 6 1.110 1.426 0.260 58 HD11 ILE 6 3HD1 ILE 6 -1.753 1.510 -3.241 59 HD12 ILE 6 1HD1 ILE 6 -1.891 -0.241 -3.395 60 HD13 ILE 6 2HD1 ILE 6 -2.172 0.532 -1.834 61 H TRP 7 H TRP 7 -0.223 -2.264 -3.285 62 HA TRP 7 HA TRP 7 -3.023 -2.427 -3.233 63 HB2 TRP 7 2HB TRP 7 -1.568 -2.260 -5.284 64 HB3 TRP 7 3HB TRP 7 -1.192 -3.969 -5.078 65 HD1 TRP 7 HD1 TRP 7 -3.240 -5.719 -5.456 66 HE1 TRP 7 HE1 TRP 7 -5.368 -5.519 -6.890 67 HE3 TRP 7 HE3 TRP 7 -3.295 -0.651 -6.124 68 HZ2 TRP 7 HZ2 TRP 7 -6.870 -3.482 -8.141 69 HZ3 TRP 7 HZ3 TRP 7 -5.111 0.344 -7.453 70 HH2 TRP 7 HH2 TRP 7 -6.861 -1.044 -8.440 71 H PHE 8 H PHE 8 -0.594 -5.033 -3.113 72 HA PHE 8 HA PHE 8 -2.568 -7.042 -2.578 73 HB2 PHE 8 2HB PHE 8 0.201 -6.973 -3.285 74 HB3 PHE 8 3HB PHE 8 0.019 -7.965 -1.842 75 HD1 PHE 8 HD1 PHE 8 -1.391 -7.486 -5.250 76 HD2 PHE 8 HD2 PHE 8 -0.636 -10.175 -2.038 77 HE1 PHE 8 HE1 PHE 8 -2.159 -9.362 -6.645 78 HE2 PHE 8 HE2 PHE 8 -1.402 -12.055 -3.427 79 HZ PHE 8 HZ PHE 8 -2.164 -11.650 -5.734 80 H GLN 9 H GLN 9 -0.724 -4.851 -0.684 81 HA GLN 9 HA GLN 9 -0.512 -6.228 1.735 82 HB2 GLN 9 2HB GLN 9 0.691 -4.241 1.662 83 HB3 GLN 9 3HB GLN 9 -0.659 -3.329 0.998 84 HG2 GLN 9 2HG GLN 9 -1.602 -2.964 3.036 85 HG3 GLN 9 3HG GLN 9 -0.953 -4.450 3.727 86 HE21 GLN 9 2HE2 GLN 9 0.745 -1.221 4.888 87 HE22 GLN 9 1HE2 GLN 9 -0.916 -1.542 4.540 88 H ASN 10 H ASN 10 -3.248 -4.769 0.191 89 HA ASN 10 HA ASN 10 -4.917 -4.395 2.419 90 HB2 ASN 10 2HB ASN 10 -5.155 -4.271 -0.436 91 HB3 ASN 10 3HB ASN 10 -6.529 -5.160 0.216 92 HD21 ASN 10 2HD2 ASN 10 -6.017 -1.205 1.096 93 HD22 ASN 10 1HD2 ASN 10 -4.690 -2.170 0.555 94 H ARG 11 H ARG 11 -3.690 -7.231 1.092 95 HA ARG 11 HA ARG 11 -5.938 -8.906 1.856 96 HB2 ARG 11 2HB ARG 11 -3.208 -9.772 0.896 97 HB3 ARG 11 3HB ARG 11 -4.678 -10.738 0.938 98 HG2 ARG 11 2HG ARG 11 -5.389 -8.566 -0.601 99 HG3 ARG 11 3HG ARG 11 -3.721 -8.887 -1.080 100 HD2 ARG 11 2HD ARG 11 -5.288 -10.129 -2.476 101 HD3 ARG 11 3HD ARG 11 -4.291 -11.221 -1.516 102 HE ARG 11 HE ARG 11 -6.689 -10.688 -0.142 103 HH11 ARG 11 1HH1 ARG 11 -5.498 -12.393 -2.935 104 HH12 ARG 11 2HH1 ARG 11 -6.752 -13.588 -2.902 105 HH21 ARG 11 2HH2 ARG 11 -8.371 -13.508 -1.284 106 HH22 ARG 11 1HH2 ARG 11 -8.345 -12.256 -0.089 107 H ARG 12 H ARG 12 -2.929 -7.807 3.149 108 HA ARG 12 HA ARG 12 -3.265 -9.627 5.443 109 HB2 ARG 12 2HB ARG 12 -0.765 -9.222 5.793 110 HB3 ARG 12 3HB ARG 12 -1.228 -10.261 4.451 111 HG2 ARG 12 2HG ARG 12 -0.611 -8.721 2.864 112 HG3 ARG 12 3HG ARG 12 -0.814 -7.352 3.960 113 HD2 ARG 12 2HD ARG 12 1.483 -7.500 3.808 114 HD3 ARG 12 3HD ARG 12 1.155 -8.445 5.259 115 HE ARG 12 HE ARG 12 1.158 -10.122 2.987 116 HH11 ARG 12 1HH1 ARG 12 3.306 -8.323 5.053 117 HH12 ARG 12 2HH1 ARG 12 4.660 -9.368 4.775 118 HH21 ARG 12 2HH2 ARG 12 4.447 -11.177 3.385 119 HH22 ARG 12 1HH2 ARG 12 2.933 -11.505 2.612 120 H MET 13 H MET 13 -4.653 -7.221 5.299 121 HA MET 13 HA MET 13 -3.552 -4.933 6.292 122 HB2 MET 13 2HB MET 13 -5.846 -4.892 7.674 123 HB3 MET 13 3HB MET 13 -5.776 -4.613 5.939 124 HG2 MET 13 2HG MET 13 -6.759 -6.589 5.436 125 HG3 MET 13 3HG MET 13 -6.075 -7.413 6.836 126 HE1 MET 13 3HE MET 13 -9.976 -7.144 6.133 127 HE2 MET 13 1HE MET 13 -9.813 -5.395 5.974 128 HE3 MET 13 2HE MET 13 -8.737 -6.466 5.076 129 H LYS 14 H LYS 14 -5.286 -7.080 8.528 130 HA LYS 14 HA LYS 14 -3.472 -6.258 10.660 131 HB2 LYS 14 2HB LYS 14 -6.106 -7.728 10.649 132 HB3 LYS 14 3HB LYS 14 -5.132 -7.542 12.102 133 HG2 LYS 14 2HG LYS 14 -5.690 -5.381 12.361 134 HG3 LYS 14 3HG LYS 14 -5.678 -5.058 10.626 135 HD2 LYS 14 2HD LYS 14 -7.917 -4.888 10.989 136 HD3 LYS 14 3HD LYS 14 -7.827 -6.632 10.729 137 HE2 LYS 14 2HE LYS 14 -7.350 -5.763 13.494 138 HE3 LYS 14 3HE LYS 14 -8.974 -5.441 12.887 139 HZ1 LYS 14 3HZ LYS 14 -7.700 -8.099 12.628 140 HZ2 LYS 14 1HZ LYS 14 -9.338 -7.703 12.480 141 HZ3 LYS 14 2HZ LYS 14 -8.592 -7.662 13.997 142 H TRP 15 H TRP 15 -3.413 -8.569 8.390 143 HA TRP 15 HA TRP 15 -2.920 -10.948 9.826 144 HB2 TRP 15 2HB TRP 15 -3.340 -10.541 7.271 145 HB3 TRP 15 3HB TRP 15 -1.588 -10.381 7.201 146 HD1 TRP 15 HD1 TRP 15 -0.464 -12.571 6.544 147 HE1 TRP 15 HE1 TRP 15 -0.937 -15.077 6.890 148 HE3 TRP 15 HE3 TRP 15 -4.770 -12.214 9.276 149 HZ2 TRP 15 HZ2 TRP 15 -2.879 -16.690 8.154 150 HZ3 TRP 15 HZ3 TRP 15 -5.874 -14.286 10.014 151 HH2 TRP 15 HH2 TRP 15 -4.946 -16.476 9.463 152 H LYS 16 H LYS 16 -0.888 -8.242 8.931 153 HA LYS 16 HA LYS 16 1.630 -9.374 9.345 154 HB2 LYS 16 2HB LYS 16 2.446 -7.111 9.601 155 HB3 LYS 16 3HB LYS 16 1.231 -7.148 8.331 156 HG2 LYS 16 2HG LYS 16 -0.261 -6.568 10.550 157 HG3 LYS 16 3HG LYS 16 1.251 -5.715 10.869 158 HD2 LYS 16 2HD LYS 16 0.022 -5.486 8.165 159 HD3 LYS 16 3HD LYS 16 -0.696 -4.582 9.500 160 HE2 LYS 16 2HE LYS 16 1.053 -3.163 9.649 161 HE3 LYS 16 3HE LYS 16 2.236 -4.418 9.285 162 HZ1 LYS 16 3HZ LYS 16 0.502 -3.648 7.089 163 HZ2 LYS 16 1HZ LYS 16 2.162 -3.976 7.096 164 HZ3 LYS 16 2HZ LYS 16 1.596 -2.464 7.600 165 H LYS 17 H LYS 17 -0.736 -8.145 11.614 166 HA LYS 17 HA LYS 17 1.095 -8.379 13.858 167 HB2 LYS 17 2HB LYS 17 -0.337 -6.534 14.079 168 HB3 LYS 17 3HB LYS 17 -1.744 -7.446 13.547 169 HG2 LYS 17 2HG LYS 17 -2.006 -8.488 15.603 170 HG3 LYS 17 3HG LYS 17 -0.342 -8.157 16.092 171 HD2 LYS 17 2HD LYS 17 -0.810 -6.006 16.717 172 HD3 LYS 17 3HD LYS 17 -2.129 -5.841 15.556 173 HE2 LYS 17 2HE LYS 17 -3.241 -5.914 17.588 174 HE3 LYS 17 3HE LYS 17 -3.333 -7.585 17.036 175 HZ1 LYS 17 3HZ LYS 17 -2.253 -8.242 18.838 176 HZ2 LYS 17 1HZ LYS 17 -2.297 -6.658 19.430 177 HZ3 LYS 17 2HZ LYS 17 -0.968 -7.187 18.529 Start of MODEL 17 1 H1 ASP 1 H ASP 1 8.364 -7.501 -6.107 2 HA ASP 1 HA ASP 1 7.811 -5.460 -6.944 3 HB2 ASP 1 2HB ASP 1 5.154 -6.556 -7.818 4 HB3 ASP 1 3HB ASP 1 6.179 -5.367 -8.618 5 H ARG 2 H ARG 2 7.023 -3.626 -6.077 6 HA ARG 2 HA ARG 2 4.819 -3.890 -4.137 7 HB2 ARG 2 2HB ARG 2 5.846 -2.168 -2.801 8 HB3 ARG 2 3HB ARG 2 7.040 -3.419 -3.119 9 HG2 ARG 2 2HG ARG 2 8.394 -1.766 -3.727 10 HG3 ARG 2 3HG ARG 2 7.421 -1.656 -5.195 11 HD2 ARG 2 2HD ARG 2 7.061 0.466 -4.587 12 HD3 ARG 2 3HD ARG 2 5.945 -0.208 -3.401 13 HE ARG 2 HE ARG 2 7.403 0.393 -1.747 14 HH11 ARG 2 1HH1 ARG 2 9.078 0.427 -4.800 15 HH12 ARG 2 2HH1 ARG 2 10.523 1.125 -4.147 16 HH21 ARG 2 2HH2 ARG 2 10.649 1.628 -1.916 17 HH22 ARG 2 1HH2 ARG 2 9.300 1.313 -0.877 18 H GLN 3 H GLN 3 6.166 -2.087 -6.788 19 HA GLN 3 HA GLN 3 4.740 0.272 -6.698 20 HB2 GLN 3 2HB GLN 3 6.514 -0.596 -8.401 21 HB3 GLN 3 3HB GLN 3 5.115 -1.165 -9.302 22 HG2 GLN 3 2HG GLN 3 4.476 0.914 -9.900 23 HG3 GLN 3 3HG GLN 3 5.030 1.638 -8.391 24 HE21 GLN 3 2HE2 GLN 3 8.204 2.473 -9.567 25 HE22 GLN 3 1HE2 GLN 3 7.169 2.287 -8.197 26 H ILE 4 H ILE 4 3.759 -2.754 -8.305 27 HA ILE 4 HA ILE 4 1.102 -1.733 -8.795 28 HB ILE 4 HB ILE 4 0.642 -3.972 -9.729 29 HG12 ILE 4 2HG1 ILE 4 3.539 -4.584 -9.120 30 HG13 ILE 4 3HG1 ILE 4 2.195 -5.175 -8.149 31 HG21 ILE 4 1HG2 ILE 4 1.468 -2.365 -11.256 32 HG22 ILE 4 2HG2 ILE 4 3.117 -2.537 -10.656 33 HG23 ILE 4 3HG2 ILE 4 2.370 -3.848 -11.568 34 HD11 ILE 4 3HD1 ILE 4 1.306 -6.306 -10.162 35 HD12 ILE 4 1HD1 ILE 4 2.752 -5.802 -11.036 36 HD13 ILE 4 2HD1 ILE 4 2.890 -6.894 -9.658 37 H LYS 5 H LYS 5 2.704 -3.664 -6.404 38 HA LYS 5 HA LYS 5 0.151 -4.504 -5.238 39 HB2 LYS 5 2HB LYS 5 2.917 -5.499 -5.153 40 HB3 LYS 5 3HB LYS 5 2.089 -5.535 -3.602 41 HG2 LYS 5 2HG LYS 5 1.862 -7.644 -4.815 42 HG3 LYS 5 3HG LYS 5 0.300 -6.864 -4.554 43 HD2 LYS 5 2HD LYS 5 0.420 -5.956 -6.857 44 HD3 LYS 5 3HD LYS 5 1.920 -6.855 -7.101 45 HE2 LYS 5 2HE LYS 5 0.552 -8.450 -7.902 46 HE3 LYS 5 3HE LYS 5 0.288 -8.819 -6.199 47 HZ1 LYS 5 3HZ LYS 5 -1.631 -8.148 -8.021 48 HZ2 LYS 5 1HZ LYS 5 -1.423 -6.728 -7.125 49 HZ3 LYS 5 2HZ LYS 5 -1.819 -8.173 -6.340 50 H ILE 6 H ILE 6 -0.373 -2.301 -4.606 51 HA ILE 6 HA ILE 6 1.156 -1.361 -2.272 52 HB ILE 6 HB ILE 6 -0.182 0.795 -2.675 53 HG12 ILE 6 2HG1 ILE 6 -1.617 -0.580 -4.423 54 HG13 ILE 6 3HG1 ILE 6 -1.288 1.132 -4.667 55 HG21 ILE 6 1HG2 ILE 6 2.121 0.875 -3.059 56 HG22 ILE 6 2HG2 ILE 6 2.020 -0.213 -4.442 57 HG23 ILE 6 3HG2 ILE 6 1.415 1.438 -4.574 58 HD11 ILE 6 3HD1 ILE 6 -0.971 -0.582 -6.605 59 HD12 ILE 6 1HD1 ILE 6 0.170 0.745 -6.386 60 HD13 ILE 6 2HD1 ILE 6 0.580 -0.874 -5.819 61 H TRP 7 H TRP 7 -2.034 -2.214 -3.451 62 HA TRP 7 HA TRP 7 -3.293 -1.554 -0.920 63 HB2 TRP 7 2HB TRP 7 -4.346 -1.302 -3.269 64 HB3 TRP 7 3HB TRP 7 -4.615 -3.041 -3.177 65 HD1 TRP 7 HD1 TRP 7 -6.093 0.216 -2.122 66 HE1 TRP 7 HE1 TRP 7 -8.160 -0.192 -0.643 67 HE3 TRP 7 HE3 TRP 7 -5.497 -4.787 -1.255 68 HZ2 TRP 7 HZ2 TRP 7 -9.376 -2.348 0.713 69 HZ3 TRP 7 HZ3 TRP 7 -7.156 -5.947 0.144 70 HH2 TRP 7 HH2 TRP 7 -9.054 -4.751 1.107 71 H PHE 8 H PHE 8 -2.609 -4.459 -2.845 72 HA PHE 8 HA PHE 8 -3.623 -6.240 -0.840 73 HB2 PHE 8 2HB PHE 8 -2.688 -6.435 -3.555 74 HB3 PHE 8 3HB PHE 8 -1.901 -7.662 -2.566 75 HD1 PHE 8 HD1 PHE 8 -4.970 -6.600 -4.139 76 HD2 PHE 8 HD2 PHE 8 -3.282 -9.307 -1.321 77 HE1 PHE 8 HE1 PHE 8 -6.992 -7.995 -4.272 78 HE2 PHE 8 HE2 PHE 8 -5.301 -10.706 -1.451 79 HZ PHE 8 HZ PHE 8 -7.159 -10.051 -2.928 80 H GLN 9 H GLN 9 -0.873 -4.409 -1.005 81 HA GLN 9 HA GLN 9 1.031 -6.277 0.039 82 HB2 GLN 9 2HB GLN 9 2.046 -4.514 -1.083 83 HB3 GLN 9 3HB GLN 9 0.971 -3.313 -0.378 84 HG2 GLN 9 2HG GLN 9 2.198 -3.124 1.529 85 HG3 GLN 9 3HG GLN 9 2.798 -4.779 1.440 86 HE21 GLN 9 2HE2 GLN 9 5.715 -2.779 0.749 87 HE22 GLN 9 1HE2 GLN 9 4.702 -3.239 2.071 88 H ASN 10 H ASN 10 -1.390 -4.195 1.379 89 HA ASN 10 HA ASN 10 -0.400 -3.901 3.987 90 HB2 ASN 10 2HB ASN 10 -2.865 -3.382 2.588 91 HB3 ASN 10 3HB ASN 10 -3.208 -4.081 4.168 92 HD21 ASN 10 2HD2 ASN 10 -1.829 -0.305 3.803 93 HD22 ASN 10 1HD2 ASN 10 -2.024 -1.354 2.444 94 H ARG 11 H ARG 11 -1.416 -6.671 2.362 95 HA ARG 11 HA ARG 11 -2.521 -8.112 4.568 96 HB2 ARG 11 2HB ARG 11 -3.183 -8.895 2.455 97 HB3 ARG 11 3HB ARG 11 -1.537 -8.887 1.837 98 HG2 ARG 11 2HG ARG 11 -1.028 -10.903 2.761 99 HG3 ARG 11 3HG ARG 11 -2.150 -10.693 4.108 100 HD2 ARG 11 2HD ARG 11 -2.962 -11.215 1.251 101 HD3 ARG 11 3HD ARG 11 -2.850 -12.449 2.505 102 HE ARG 11 HE ARG 11 -4.965 -10.561 2.131 103 HH11 ARG 11 1HH1 ARG 11 -3.259 -12.458 4.499 104 HH12 ARG 11 2HH1 ARG 11 -4.590 -12.510 5.607 105 HH21 ARG 11 2HH2 ARG 11 -6.561 -11.468 5.083 106 HH22 ARG 11 1HH2 ARG 11 -6.725 -10.624 3.581 107 H ARG 12 H ARG 12 0.664 -7.394 3.498 108 HA ARG 12 HA ARG 12 2.079 -9.591 4.511 109 HB2 ARG 12 2HB ARG 12 3.291 -8.159 3.103 110 HB3 ARG 12 3HB ARG 12 2.811 -6.724 3.998 111 HG2 ARG 12 2HG ARG 12 4.410 -7.013 5.596 112 HG3 ARG 12 3HG ARG 12 4.438 -8.767 5.407 113 HD2 ARG 12 2HD ARG 12 5.347 -7.109 3.118 114 HD3 ARG 12 3HD ARG 12 6.404 -7.215 4.525 115 HE ARG 12 HE ARG 12 5.799 -9.798 4.029 116 HH11 ARG 12 1HH1 ARG 12 6.992 -7.209 2.030 117 HH12 ARG 12 2HH1 ARG 12 7.880 -8.258 0.975 118 HH21 ARG 12 2HH2 ARG 12 7.862 -10.522 1.327 119 HH22 ARG 12 1HH2 ARG 12 6.964 -11.189 2.648 120 H MET 13 H MET 13 0.492 -6.995 6.105 121 HA MET 13 HA MET 13 1.761 -7.767 8.650 122 HB2 MET 13 2HB MET 13 0.762 -5.420 9.334 123 HB3 MET 13 3HB MET 13 2.322 -5.545 8.531 124 HG2 MET 13 2HG MET 13 1.272 -5.046 6.392 125 HG3 MET 13 3HG MET 13 -0.300 -4.942 7.183 126 HE1 MET 13 3HE MET 13 -0.843 -3.503 9.020 127 HE2 MET 13 1HE MET 13 -0.222 -1.875 9.293 128 HE3 MET 13 2HE MET 13 -1.172 -2.226 7.849 129 H LYS 14 H LYS 14 -1.150 -7.531 6.861 130 HA LYS 14 HA LYS 14 -2.909 -7.603 9.147 131 HB2 LYS 14 2HB LYS 14 -3.248 -6.805 6.571 132 HB3 LYS 14 3HB LYS 14 -3.964 -8.410 6.511 133 HG2 LYS 14 2HG LYS 14 -5.825 -7.600 7.384 134 HG3 LYS 14 3HG LYS 14 -4.939 -7.143 8.841 135 HD2 LYS 14 2HD LYS 14 -4.215 -5.109 7.284 136 HD3 LYS 14 3HD LYS 14 -5.752 -5.496 6.508 137 HE2 LYS 14 2HE LYS 14 -6.078 -5.511 9.353 138 HE3 LYS 14 3HE LYS 14 -5.316 -4.001 8.857 139 HZ1 LYS 14 3HZ LYS 14 -7.971 -5.050 8.186 140 HZ2 LYS 14 1HZ LYS 14 -7.190 -4.058 7.061 141 HZ3 LYS 14 2HZ LYS 14 -7.512 -3.481 8.618 142 H TRP 15 H TRP 15 -1.040 -9.655 9.286 143 HA TRP 15 HA TRP 15 -2.477 -12.080 8.493 144 HB2 TRP 15 2HB TRP 15 0.151 -11.535 8.307 145 HB3 TRP 15 3HB TRP 15 0.125 -12.264 9.910 146 HD1 TRP 15 HD1 TRP 15 -1.263 -14.787 9.905 147 HE1 TRP 15 HE1 TRP 15 -0.939 -16.698 8.212 148 HE3 TRP 15 HE3 TRP 15 0.798 -12.122 6.060 149 HZ2 TRP 15 HZ2 TRP 15 0.059 -17.031 5.592 150 HZ3 TRP 15 HZ3 TRP 15 1.410 -13.312 3.996 151 HH2 TRP 15 HH2 TRP 15 1.047 -15.715 3.768 152 H LYS 16 H LYS 16 -1.478 -10.263 11.307 153 HA LYS 16 HA LYS 16 -1.854 -12.160 13.307 154 HB2 LYS 16 2HB LYS 16 -2.247 -10.239 14.813 155 HB3 LYS 16 3HB LYS 16 -0.850 -10.001 13.771 156 HG2 LYS 16 2HG LYS 16 -1.825 -7.960 13.574 157 HG3 LYS 16 3HG LYS 16 -2.633 -8.794 12.245 158 HD2 LYS 16 2HD LYS 16 -4.598 -8.361 13.187 159 HD3 LYS 16 3HD LYS 16 -4.120 -9.305 14.600 160 HE2 LYS 16 2HE LYS 16 -2.837 -7.101 15.232 161 HE3 LYS 16 3HE LYS 16 -4.014 -6.359 14.150 162 HZ1 LYS 16 3HZ LYS 16 -4.378 -7.433 16.795 163 HZ2 LYS 16 1HZ LYS 16 -5.549 -7.954 15.691 164 HZ3 LYS 16 2HZ LYS 16 -5.308 -6.300 15.950 165 H LYS 17 H LYS 17 -4.182 -10.288 11.493 166 HA LYS 17 HA LYS 17 -6.420 -10.721 13.164 167 HB2 LYS 17 2HB LYS 17 -5.887 -9.413 10.712 168 HB3 LYS 17 3HB LYS 17 -7.199 -10.544 10.407 169 HG2 LYS 17 2HG LYS 17 -7.235 -8.608 12.702 170 HG3 LYS 17 3HG LYS 17 -7.857 -8.207 11.100 171 HD2 LYS 17 2HD LYS 17 -9.715 -9.431 11.392 172 HD3 LYS 17 3HD LYS 17 -8.831 -10.761 12.144 173 HE2 LYS 17 2HE LYS 17 -9.153 -9.963 14.244 174 HE3 LYS 17 3HE LYS 17 -9.096 -8.278 13.729 175 HZ1 LYS 17 3HZ LYS 17 -11.330 -8.521 12.830 176 HZ2 LYS 17 1HZ LYS 17 -11.302 -8.886 14.482 177 HZ3 LYS 17 2HZ LYS 17 -11.384 -10.132 13.342 Start of MODEL 18 1 H1 ASP 1 H ASP 1 0.920 1.039 -2.064 2 HA ASP 1 HA ASP 1 3.228 1.385 -1.246 3 HB2 ASP 1 2HB ASP 1 2.323 -1.285 -2.230 4 HB3 ASP 1 3HB ASP 1 3.976 -1.127 -1.644 5 H ARG 2 H ARG 2 3.632 -0.843 -3.965 6 HA ARG 2 HA ARG 2 5.786 0.899 -4.971 7 HB2 ARG 2 2HB ARG 2 5.680 -2.094 -4.683 8 HB3 ARG 2 3HB ARG 2 6.780 -1.322 -5.817 9 HG2 ARG 2 2HG ARG 2 7.896 -0.163 -4.041 10 HG3 ARG 2 3HG ARG 2 6.707 -0.734 -2.867 11 HD2 ARG 2 2HD ARG 2 7.593 -3.066 -4.004 12 HD3 ARG 2 3HD ARG 2 9.052 -2.078 -3.976 13 HE ARG 2 HE ARG 2 7.898 -1.848 -1.473 14 HH11 ARG 2 1HH1 ARG 2 9.221 -4.378 -3.466 15 HH12 ARG 2 2HH1 ARG 2 9.744 -5.340 -2.123 16 HH21 ARG 2 2HH2 ARG 2 9.379 -4.616 0.019 17 HH22 ARG 2 1HH2 ARG 2 8.582 -3.106 0.302 18 H GLN 3 H GLN 3 4.551 -2.093 -6.362 19 HA GLN 3 HA GLN 3 3.502 -0.535 -8.631 20 HB2 GLN 3 2HB GLN 3 5.545 -1.615 -9.325 21 HB3 GLN 3 3HB GLN 3 5.002 -3.156 -8.675 22 HG2 GLN 3 2HG GLN 3 4.051 -3.670 -10.599 23 HG3 GLN 3 3HG GLN 3 3.064 -2.212 -10.534 24 HE21 GLN 3 2HE2 GLN 3 4.878 -0.488 -12.932 25 HE22 GLN 3 1HE2 GLN 3 3.586 -0.489 -11.785 26 H ILE 4 H ILE 4 3.428 -4.002 -7.891 27 HA ILE 4 HA ILE 4 0.499 -3.901 -8.112 28 HB ILE 4 HB ILE 4 0.597 -6.314 -8.548 29 HG12 ILE 4 2HG1 ILE 4 3.603 -6.008 -8.597 30 HG13 ILE 4 3HG1 ILE 4 2.722 -6.661 -7.220 31 HG21 ILE 4 1HG2 ILE 4 0.570 -5.041 -10.502 32 HG22 ILE 4 2HG2 ILE 4 2.221 -4.470 -10.264 33 HG23 ILE 4 3HG2 ILE 4 1.927 -6.143 -10.737 34 HD11 ILE 4 3HD1 ILE 4 2.941 -8.651 -8.161 35 HD12 ILE 4 1HD1 ILE 4 1.798 -8.117 -9.393 36 HD13 ILE 4 2HD1 ILE 4 3.532 -7.946 -9.665 37 H LYS 5 H LYS 5 3.077 -4.491 -5.931 38 HA LYS 5 HA LYS 5 1.947 -6.260 -4.108 39 HB2 LYS 5 2HB LYS 5 3.568 -5.527 -2.564 40 HB3 LYS 5 3HB LYS 5 4.311 -5.297 -4.141 41 HG2 LYS 5 2HG LYS 5 3.770 -2.922 -4.062 42 HG3 LYS 5 3HG LYS 5 2.999 -3.146 -2.490 43 HD2 LYS 5 2HD LYS 5 5.872 -3.878 -2.995 44 HD3 LYS 5 3HD LYS 5 5.385 -2.259 -2.487 45 HE2 LYS 5 2HE LYS 5 4.083 -4.110 -0.789 46 HE3 LYS 5 3HE LYS 5 5.774 -4.599 -0.900 47 HZ1 LYS 5 3HZ LYS 5 4.633 -2.095 0.138 48 HZ2 LYS 5 1HZ LYS 5 6.204 -2.094 -0.491 49 HZ3 LYS 5 2HZ LYS 5 5.817 -3.095 0.816 50 H ILE 6 H ILE 6 1.081 -3.026 -4.841 51 HA ILE 6 HA ILE 6 0.043 -2.014 -2.515 52 HB ILE 6 HB ILE 6 -1.546 -0.752 -3.847 53 HG12 ILE 6 2HG1 ILE 6 -1.303 -1.354 -6.452 54 HG13 ILE 6 3HG1 ILE 6 -1.074 -2.963 -5.776 55 HG21 ILE 6 1HG2 ILE 6 1.239 -0.835 -4.256 56 HG22 ILE 6 2HG2 ILE 6 0.499 -0.570 -5.834 57 HG23 ILE 6 3HG2 ILE 6 0.146 0.527 -4.500 58 HD11 ILE 6 3HD1 ILE 6 -3.333 -1.602 -4.588 59 HD12 ILE 6 1HD1 ILE 6 -3.478 -1.737 -6.340 60 HD13 ILE 6 2HD1 ILE 6 -3.240 -3.185 -5.360 61 H TRP 7 H TRP 7 -1.250 -4.572 -4.520 62 HA TRP 7 HA TRP 7 -3.790 -4.656 -3.168 63 HB2 TRP 7 2HB TRP 7 -3.234 -5.404 -5.593 64 HB3 TRP 7 3HB TRP 7 -2.684 -6.897 -4.837 65 HD1 TRP 7 HD1 TRP 7 -4.589 -8.342 -3.498 66 HE1 TRP 7 HE1 TRP 7 -7.120 -8.533 -3.923 67 HE3 TRP 7 HE3 TRP 7 -5.245 -4.169 -6.378 68 HZ2 TRP 7 HZ2 TRP 7 -9.129 -7.104 -5.298 69 HZ3 TRP 7 HZ3 TRP 7 -7.503 -3.653 -7.208 70 HH2 TRP 7 HH2 TRP 7 -9.403 -5.091 -6.679 71 H PHE 8 H PHE 8 -0.922 -6.766 -3.268 72 HA PHE 8 HA PHE 8 -1.817 -8.613 -1.355 73 HB2 PHE 8 2HB PHE 8 0.749 -7.941 -2.641 74 HB3 PHE 8 3HB PHE 8 0.891 -8.701 -1.059 75 HD1 PHE 8 HD1 PHE 8 1.393 -10.925 -1.265 76 HD2 PHE 8 HD2 PHE 8 -1.406 -9.190 -3.961 77 HE1 PHE 8 HE1 PHE 8 1.021 -13.130 -2.292 78 HE2 PHE 8 HE2 PHE 8 -1.784 -11.392 -4.991 79 HZ PHE 8 HZ PHE 8 -0.570 -13.365 -4.157 80 H GLN 9 H GLN 9 -0.747 -5.397 -1.016 81 HA GLN 9 HA GLN 9 0.462 -5.396 1.489 82 HB2 GLN 9 2HB GLN 9 0.594 -3.358 0.398 83 HB3 GLN 9 3HB GLN 9 -1.102 -3.378 -0.066 84 HG2 GLN 9 2HG GLN 9 -1.804 -2.507 1.914 85 HG3 GLN 9 3HG GLN 9 -0.461 -3.198 2.822 86 HE21 GLN 9 2HE2 GLN 9 -0.188 0.489 1.146 87 HE22 GLN 9 1HE2 GLN 9 -1.507 -0.571 0.799 88 H ASN 10 H ASN 10 -2.874 -5.771 0.604 89 HA ASN 10 HA ASN 10 -4.168 -5.048 2.949 90 HB2 ASN 10 2HB ASN 10 -5.973 -6.522 2.246 91 HB3 ASN 10 3HB ASN 10 -5.319 -5.676 0.847 92 HD21 ASN 10 2HD2 ASN 10 -5.815 -9.316 0.143 93 HD22 ASN 10 1HD2 ASN 10 -6.825 -8.079 0.805 94 H ARG 11 H ARG 11 -2.011 -7.636 2.383 95 HA ARG 11 HA ARG 11 -2.732 -8.823 4.983 96 HB2 ARG 11 2HB ARG 11 -1.945 -10.973 4.165 97 HB3 ARG 11 3HB ARG 11 -3.200 -10.348 3.104 98 HG2 ARG 11 2HG ARG 11 -1.700 -9.881 1.394 99 HG3 ARG 11 3HG ARG 11 -0.309 -9.905 2.480 100 HD2 ARG 11 2HD ARG 11 0.019 -12.061 2.061 101 HD3 ARG 11 3HD ARG 11 -1.621 -12.438 2.588 102 HE ARG 11 HE ARG 11 -0.673 -12.237 -0.113 103 HH11 ARG 11 1HH1 ARG 11 -3.460 -11.984 1.957 104 HH12 ARG 11 2HH1 ARG 11 -4.593 -12.325 0.692 105 HH21 ARG 11 2HH2 ARG 11 -3.850 -12.725 -1.438 106 HH22 ARG 11 1HH2 ARG 11 -2.155 -12.686 -1.788 107 H ARG 12 H ARG 12 -0.902 -6.622 4.460 108 HA ARG 12 HA ARG 12 1.770 -7.277 4.346 109 HB2 ARG 12 2HB ARG 12 0.195 -5.047 5.430 110 HB3 ARG 12 3HB ARG 12 1.767 -5.252 6.190 111 HG2 ARG 12 2HG ARG 12 2.190 -5.478 3.422 112 HG3 ARG 12 3HG ARG 12 1.118 -4.097 3.660 113 HD2 ARG 12 2HD ARG 12 3.269 -3.192 3.808 114 HD3 ARG 12 3HD ARG 12 2.756 -3.373 5.485 115 HE ARG 12 HE ARG 12 4.465 -4.852 5.793 116 HH11 ARG 12 1HH1 ARG 12 3.822 -4.583 2.382 117 HH12 ARG 12 2HH1 ARG 12 5.172 -5.565 1.917 118 HH21 ARG 12 2HH2 ARG 12 6.550 -6.454 3.518 119 HH22 ARG 12 1HH2 ARG 12 6.246 -6.146 5.194 120 H MET 13 H MET 13 0.422 -6.326 7.477 121 HA MET 13 HA MET 13 1.819 -8.620 8.689 122 HB2 MET 13 2HB MET 13 1.754 -6.842 10.725 123 HB3 MET 13 3HB MET 13 3.108 -7.008 9.615 124 HG2 MET 13 2HG MET 13 2.574 -5.089 8.459 125 HG3 MET 13 3HG MET 13 0.885 -5.135 8.959 126 HE1 MET 13 3HE MET 13 4.146 -2.751 10.170 127 HE2 MET 13 1HE MET 13 3.255 -3.144 8.700 128 HE3 MET 13 2HE MET 13 2.623 -1.934 9.816 129 H LYS 14 H LYS 14 -0.315 -6.170 10.100 130 HA LYS 14 HA LYS 14 -2.050 -8.341 11.051 131 HB2 LYS 14 2HB LYS 14 -1.010 -5.954 12.264 132 HB3 LYS 14 3HB LYS 14 -2.768 -5.894 12.274 133 HG2 LYS 14 2HG LYS 14 -2.684 -8.240 13.254 134 HG3 LYS 14 3HG LYS 14 -0.965 -7.942 13.521 135 HD2 LYS 14 2HD LYS 14 -1.607 -5.877 14.783 136 HD3 LYS 14 3HD LYS 14 -3.291 -6.388 14.648 137 HE2 LYS 14 2HE LYS 14 -2.959 -8.247 16.015 138 HE3 LYS 14 3HE LYS 14 -1.212 -8.222 15.785 139 HZ1 LYS 14 3HZ LYS 14 -2.752 -6.971 17.795 140 HZ2 LYS 14 1HZ LYS 14 -1.890 -5.797 16.934 141 HZ3 LYS 14 2HZ LYS 14 -1.070 -7.084 17.663 142 H TRP 15 H TRP 15 -2.015 -6.785 8.388 143 HA TRP 15 HA TRP 15 -4.661 -5.568 8.433 144 HB2 TRP 15 2HB TRP 15 -2.387 -5.635 6.500 145 HB3 TRP 15 3HB TRP 15 -4.007 -5.344 5.871 146 HD1 TRP 15 HD1 TRP 15 -1.131 -3.580 7.400 147 HE1 TRP 15 HE1 TRP 15 -1.766 -1.151 7.967 148 HE3 TRP 15 HE3 TRP 15 -6.201 -3.912 6.829 149 HZ2 TRP 15 HZ2 TRP 15 -4.106 0.417 8.148 150 HZ3 TRP 15 HZ3 TRP 15 -7.565 -1.901 7.218 151 HH2 TRP 15 HH2 TRP 15 -6.538 0.217 7.864 152 H LYS 16 H LYS 16 -3.101 -8.505 7.467 153 HA LYS 16 HA LYS 16 -4.857 -9.480 5.547 154 HB2 LYS 16 2HB LYS 16 -4.054 -11.690 6.128 155 HB3 LYS 16 3HB LYS 16 -2.715 -10.550 6.170 156 HG2 LYS 16 2HG LYS 16 -3.624 -10.506 8.758 157 HG3 LYS 16 3HG LYS 16 -3.843 -12.194 8.290 158 HD2 LYS 16 2HD LYS 16 -1.273 -10.749 7.734 159 HD3 LYS 16 3HD LYS 16 -1.585 -11.485 9.309 160 HE2 LYS 16 2HE LYS 16 -0.463 -13.157 8.147 161 HE3 LYS 16 3HE LYS 16 -2.158 -13.603 7.962 162 HZ1 LYS 16 3HZ LYS 16 -2.185 -12.858 5.763 163 HZ2 LYS 16 1HZ LYS 16 -0.709 -13.675 5.901 164 HZ3 LYS 16 2HZ LYS 16 -0.746 -11.985 5.930 165 H LYS 17 H LYS 17 -5.172 -9.331 9.030 166 HA LYS 17 HA LYS 17 -7.368 -11.092 9.290 167 HB2 LYS 17 2HB LYS 17 -5.933 -9.185 10.977 168 HB3 LYS 17 3HB LYS 17 -7.651 -9.266 11.344 169 HG2 LYS 17 2HG LYS 17 -5.859 -11.677 11.192 170 HG3 LYS 17 3HG LYS 17 -6.219 -10.805 12.683 171 HD2 LYS 17 2HD LYS 17 -8.635 -11.231 12.279 172 HD3 LYS 17 3HD LYS 17 -8.188 -12.220 10.887 173 HE2 LYS 17 2HE LYS 17 -7.379 -13.915 12.180 174 HE3 LYS 17 3HE LYS 17 -6.892 -12.834 13.485 175 HZ1 LYS 17 3HZ LYS 17 -8.873 -13.019 14.486 176 HZ2 LYS 17 1HZ LYS 17 -9.029 -14.438 13.578 177 HZ3 LYS 17 2HZ LYS 17 -9.745 -13.005 13.037 Start of MODEL 19 1 H1 ASP 1 H ASP 1 1.601 -7.327 -5.046 2 HA ASP 1 HA ASP 1 2.879 -9.123 -6.942 3 HB2 ASP 1 2HB ASP 1 0.950 -7.079 -8.015 4 HB3 ASP 1 3HB ASP 1 1.672 -8.454 -8.847 5 H ARG 2 H ARG 2 3.397 -7.323 -8.963 6 HA ARG 2 HA ARG 2 5.274 -5.540 -7.621 7 HB2 ARG 2 2HB ARG 2 5.799 -7.154 -9.605 8 HB3 ARG 2 3HB ARG 2 5.101 -5.879 -10.594 9 HG2 ARG 2 2HG ARG 2 7.223 -5.152 -10.673 10 HG3 ARG 2 3HG ARG 2 6.818 -4.433 -9.113 11 HD2 ARG 2 2HD ARG 2 7.559 -6.886 -8.308 12 HD3 ARG 2 3HD ARG 2 8.554 -6.735 -9.756 13 HE ARG 2 HE ARG 2 8.678 -4.459 -7.995 14 HH11 ARG 2 1HH1 ARG 2 10.007 -7.584 -8.760 15 HH12 ARG 2 2HH1 ARG 2 11.531 -7.267 -8.000 16 HH21 ARG 2 2HH2 ARG 2 11.912 -5.245 -6.992 17 HH22 ARG 2 1HH2 ARG 2 10.680 -4.030 -6.990 18 H GLN 3 H GLN 3 2.445 -5.445 -9.676 19 HA GLN 3 HA GLN 3 2.574 -2.767 -10.494 20 HB2 GLN 3 2HB GLN 3 0.081 -4.383 -9.939 21 HB3 GLN 3 3HB GLN 3 0.200 -2.961 -10.966 22 HG2 GLN 3 2HG GLN 3 2.077 -4.979 -11.794 23 HG3 GLN 3 3HG GLN 3 0.439 -5.626 -11.729 24 HE21 GLN 3 2HE2 GLN 3 1.044 -2.389 -14.166 25 HE22 GLN 3 1HE2 GLN 3 1.785 -2.463 -12.607 26 H ILE 4 H ILE 4 0.649 -4.170 -7.835 27 HA ILE 4 HA ILE 4 0.796 -1.550 -6.491 28 HB ILE 4 HB ILE 4 -1.389 -2.347 -5.360 29 HG12 ILE 4 2HG1 ILE 4 -1.697 -3.879 -7.936 30 HG13 ILE 4 3HG1 ILE 4 -1.119 -4.656 -6.466 31 HG21 ILE 4 1HG2 ILE 4 -0.936 -0.554 -7.224 32 HG22 ILE 4 2HG2 ILE 4 -1.822 -1.696 -8.233 33 HG23 ILE 4 3HG2 ILE 4 -2.583 -1.016 -6.795 34 HD11 ILE 4 3HD1 ILE 4 -3.814 -3.816 -7.222 35 HD12 ILE 4 1HD1 ILE 4 -3.282 -5.082 -6.115 36 HD13 ILE 4 2HD1 ILE 4 -3.354 -3.406 -5.569 37 H LYS 5 H LYS 5 2.738 -2.368 -5.468 38 HA LYS 5 HA LYS 5 2.600 -4.645 -3.731 39 HB2 LYS 5 2HB LYS 5 4.842 -4.027 -3.048 40 HB3 LYS 5 3HB LYS 5 4.707 -3.904 -4.797 41 HG2 LYS 5 2HG LYS 5 4.089 -1.378 -4.091 42 HG3 LYS 5 3HG LYS 5 5.188 -1.818 -2.782 43 HD2 LYS 5 2HD LYS 5 6.960 -2.233 -4.258 44 HD3 LYS 5 3HD LYS 5 5.888 -2.332 -5.657 45 HE2 LYS 5 2HE LYS 5 7.154 -0.242 -5.651 46 HE3 LYS 5 3HE LYS 5 5.424 0.056 -5.482 47 HZ1 LYS 5 3HZ LYS 5 6.843 -0.227 -2.982 48 HZ2 LYS 5 1HZ LYS 5 5.693 0.922 -3.452 49 HZ3 LYS 5 2HZ LYS 5 7.313 1.116 -3.898 50 H ILE 6 H ILE 6 2.281 -1.165 -3.365 51 HA ILE 6 HA ILE 6 2.400 -1.020 -0.567 52 HB ILE 6 HB ILE 6 1.136 1.097 -0.792 53 HG12 ILE 6 2HG1 ILE 6 1.061 1.498 -3.552 54 HG13 ILE 6 3HG1 ILE 6 0.407 -0.120 -3.328 55 HG21 ILE 6 1HG2 ILE 6 2.943 2.221 -1.574 56 HG22 ILE 6 2HG2 ILE 6 3.671 0.619 -1.468 57 HG23 ILE 6 3HG2 ILE 6 3.081 1.218 -3.018 58 HD11 ILE 6 3HD1 ILE 6 -1.419 0.629 -2.180 59 HD12 ILE 6 1HD1 ILE 6 -0.602 2.083 -1.606 60 HD13 ILE 6 2HD1 ILE 6 -1.145 1.979 -3.281 61 H TRP 7 H TRP 7 -0.201 -1.879 -2.748 62 HA TRP 7 HA TRP 7 -2.309 -1.705 -0.856 63 HB2 TRP 7 2HB TRP 7 -2.523 -1.776 -3.391 64 HB3 TRP 7 3HB TRP 7 -2.252 -3.513 -3.272 65 HD1 TRP 7 HD1 TRP 7 -4.887 -0.845 -2.649 66 HE1 TRP 7 HE1 TRP 7 -7.132 -1.991 -2.127 67 HE3 TRP 7 HE3 TRP 7 -3.254 -5.671 -2.221 68 HZ2 TRP 7 HZ2 TRP 7 -8.084 -4.596 -1.602 69 HZ3 TRP 7 HZ3 TRP 7 -4.896 -7.430 -1.706 70 HH2 TRP 7 HH2 TRP 7 -7.260 -6.901 -1.403 71 H PHE 8 H PHE 8 -0.595 -4.537 -2.189 72 HA PHE 8 HA PHE 8 -1.769 -6.383 -0.397 73 HB2 PHE 8 2HB PHE 8 0.171 -6.439 -2.539 74 HB3 PHE 8 3HB PHE 8 0.702 -7.445 -1.196 75 HD1 PHE 8 HD1 PHE 8 -1.760 -7.009 -3.839 76 HD2 PHE 8 HD2 PHE 8 -0.603 -9.381 -0.500 77 HE1 PHE 8 HE1 PHE 8 -3.278 -8.796 -4.586 78 HE2 PHE 8 HE2 PHE 8 -2.118 -11.172 -1.242 79 HZ PHE 8 HZ PHE 8 -3.458 -10.881 -3.288 80 H GLN 9 H GLN 9 0.897 -4.208 -0.127 81 HA GLN 9 HA GLN 9 2.458 -5.433 1.815 82 HB2 GLN 9 2HB GLN 9 3.386 -3.500 0.922 83 HB3 GLN 9 3HB GLN 9 1.902 -2.577 1.112 84 HG2 GLN 9 2HG GLN 9 2.329 -2.064 3.287 85 HG3 GLN 9 3HG GLN 9 3.263 -3.532 3.566 86 HE21 GLN 9 2HE2 GLN 9 6.291 -2.170 2.265 87 HE22 GLN 9 1HE2 GLN 9 5.360 -3.624 2.323 88 H ASN 10 H ASN 10 -0.667 -3.961 2.069 89 HA ASN 10 HA ASN 10 -0.722 -3.392 4.815 90 HB2 ASN 10 2HB ASN 10 -2.887 -4.080 2.834 91 HB3 ASN 10 3HB ASN 10 -3.249 -3.726 4.521 92 HD21 ASN 10 2HD2 ASN 10 -2.138 -0.772 1.952 93 HD22 ASN 10 1HD2 ASN 10 -1.925 -2.438 1.549 94 H ARG 11 H ARG 11 -0.492 -6.354 3.228 95 HA ARG 11 HA ARG 11 -1.948 -7.974 5.077 96 HB2 ARG 11 2HB ARG 11 -1.660 -8.932 2.952 97 HB3 ARG 11 3HB ARG 11 0.054 -8.544 2.911 98 HG2 ARG 11 2HG ARG 11 0.641 -10.363 4.147 99 HG3 ARG 11 3HG ARG 11 -0.892 -10.402 5.020 100 HD2 ARG 11 2HD ARG 11 -2.007 -11.219 2.985 101 HD3 ARG 11 3HD ARG 11 -0.454 -11.218 2.150 102 HE ARG 11 HE ARG 11 0.049 -13.193 3.180 103 HH11 ARG 11 1HH1 ARG 11 -2.560 -11.659 4.901 104 HH12 ARG 11 2HH1 ARG 11 -2.836 -13.010 5.949 105 HH21 ARG 11 2HH2 ARG 11 -1.552 -14.898 5.752 106 HH22 ARG 11 1HH2 ARG 11 -0.305 -14.978 4.555 107 H ARG 12 H ARG 12 1.176 -6.542 5.049 108 HA ARG 12 HA ARG 12 2.597 -8.323 6.681 109 HB2 ARG 12 2HB ARG 12 3.877 -6.671 5.617 110 HB3 ARG 12 3HB ARG 12 2.822 -5.374 6.160 111 HG2 ARG 12 2HG ARG 12 3.799 -5.247 8.215 112 HG3 ARG 12 3HG ARG 12 4.269 -6.948 8.218 113 HD2 ARG 12 2HD ARG 12 6.324 -6.132 7.810 114 HD3 ARG 12 3HD ARG 12 5.744 -6.020 6.149 115 HE ARG 12 HE ARG 12 5.036 -3.655 7.409 116 HH11 ARG 12 1HH1 ARG 12 7.951 -5.367 6.580 117 HH12 ARG 12 2HH1 ARG 12 8.904 -3.930 6.416 118 HH21 ARG 12 2HH2 ARG 12 7.953 -1.876 6.769 119 HH22 ARG 12 1HH2 ARG 12 6.280 -1.755 7.197 120 H MET 13 H MET 13 0.038 -6.148 7.403 121 HA MET 13 HA MET 13 0.493 -6.552 10.286 122 HB2 MET 13 2HB MET 13 -1.162 -4.496 10.371 123 HB3 MET 13 3HB MET 13 0.565 -4.263 10.142 124 HG2 MET 13 2HG MET 13 0.230 -4.065 7.738 125 HG3 MET 13 3HG MET 13 -1.500 -4.323 7.954 126 HE1 MET 13 3HE MET 13 -3.137 -1.863 8.123 127 HE2 MET 13 1HE MET 13 -2.100 -0.845 7.122 128 HE3 MET 13 2HE MET 13 -2.234 -2.571 6.783 129 H LYS 14 H LYS 14 -1.605 -7.045 7.625 130 HA LYS 14 HA LYS 14 -3.982 -7.490 9.200 131 HB2 LYS 14 2HB LYS 14 -3.581 -6.842 6.591 132 HB3 LYS 14 3HB LYS 14 -3.867 -8.572 6.456 133 HG2 LYS 14 2HG LYS 14 -6.015 -7.936 6.326 134 HG3 LYS 14 3HG LYS 14 -5.896 -7.888 8.087 135 HD2 LYS 14 2HD LYS 14 -6.279 -5.696 8.100 136 HD3 LYS 14 3HD LYS 14 -4.950 -5.416 6.972 137 HE2 LYS 14 2HE LYS 14 -6.513 -6.063 5.121 138 HE3 LYS 14 3HE LYS 14 -7.815 -6.080 6.310 139 HZ1 LYS 14 3HZ LYS 14 -7.071 -3.928 4.876 140 HZ2 LYS 14 1HZ LYS 14 -6.235 -3.668 6.324 141 HZ3 LYS 14 2HZ LYS 14 -7.915 -3.862 6.340 142 H TRP 15 H TRP 15 -1.876 -9.038 10.147 143 HA TRP 15 HA TRP 15 -2.043 -11.706 9.095 144 HB2 TRP 15 2HB TRP 15 -0.218 -10.360 10.655 145 HB3 TRP 15 3HB TRP 15 -0.995 -11.430 11.818 146 HD1 TRP 15 HD1 TRP 15 -1.030 -14.142 10.990 147 HE1 TRP 15 HE1 TRP 15 0.881 -15.459 9.878 148 HE3 TRP 15 HE3 TRP 15 1.741 -10.223 9.231 149 HZ2 TRP 15 HZ2 TRP 15 3.251 -14.910 8.446 150 HZ3 TRP 15 HZ3 TRP 15 3.817 -10.704 8.001 151 HH2 TRP 15 HH2 TRP 15 4.555 -13.000 7.618 152 H LYS 16 H LYS 16 -3.778 -9.847 11.409 153 HA LYS 16 HA LYS 16 -4.719 -11.726 13.195 154 HB2 LYS 16 2HB LYS 16 -6.400 -9.529 11.984 155 HB3 LYS 16 3HB LYS 16 -6.606 -10.276 13.562 156 HG2 LYS 16 2HG LYS 16 -5.147 -8.896 14.512 157 HG3 LYS 16 3HG LYS 16 -3.960 -9.140 13.228 158 HD2 LYS 16 2HD LYS 16 -4.395 -6.947 12.843 159 HD3 LYS 16 3HD LYS 16 -5.723 -7.627 11.899 160 HE2 LYS 16 2HE LYS 16 -7.299 -6.958 13.387 161 HE3 LYS 16 3HE LYS 16 -6.236 -7.175 14.776 162 HZ1 LYS 16 3HZ LYS 16 -5.536 -5.065 14.671 163 HZ2 LYS 16 1HZ LYS 16 -6.942 -4.796 13.768 164 HZ3 LYS 16 2HZ LYS 16 -5.465 -5.044 12.981 165 H LYS 17 H LYS 17 -5.896 -11.004 9.938 166 HA LYS 17 HA LYS 17 -8.046 -12.898 10.079 167 HB2 LYS 17 2HB LYS 17 -6.812 -11.513 7.690 168 HB3 LYS 17 3HB LYS 17 -8.315 -12.427 7.674 169 HG2 LYS 17 2HG LYS 17 -9.125 -10.785 9.454 170 HG3 LYS 17 3HG LYS 17 -7.738 -9.797 8.990 171 HD2 LYS 17 2HD LYS 17 -9.033 -8.942 7.387 172 HD3 LYS 17 3HD LYS 17 -8.904 -10.504 6.575 173 HE2 LYS 17 2HE LYS 17 -10.953 -10.166 8.709 174 HE3 LYS 17 3HE LYS 17 -11.248 -9.431 7.134 175 HZ1 LYS 17 3HZ LYS 17 -12.090 -11.444 6.668 176 HZ2 LYS 17 1HZ LYS 17 -11.229 -12.227 7.896 177 HZ3 LYS 17 2HZ LYS 17 -10.475 -11.883 6.423 Start of MODEL 20 1 H1 ASP 1 H ASP 1 0.992 1.449 -6.524 2 HA ASP 1 HA ASP 1 2.889 2.887 -6.848 3 HB2 ASP 1 2HB ASP 1 0.835 3.537 -4.940 4 HB3 ASP 1 3HB ASP 1 2.349 4.304 -4.469 5 H ARG 2 H ARG 2 3.401 0.469 -4.898 6 HA ARG 2 HA ARG 2 5.751 1.688 -3.602 7 HB2 ARG 2 2HB ARG 2 4.128 0.950 -1.937 8 HB3 ARG 2 3HB ARG 2 4.088 -0.653 -2.659 9 HG2 ARG 2 2HG ARG 2 5.784 -1.296 -1.395 10 HG3 ARG 2 3HG ARG 2 6.789 0.007 -2.034 11 HD2 ARG 2 2HD ARG 2 5.291 1.422 -0.333 12 HD3 ARG 2 3HD ARG 2 5.230 -0.141 0.479 13 HE ARG 2 HE ARG 2 7.893 0.501 -0.222 14 HH11 ARG 2 1HH1 ARG 2 5.377 1.338 2.034 15 HH12 ARG 2 2HH1 ARG 2 6.477 1.839 3.275 16 HH21 ARG 2 2HH2 ARG 2 8.737 1.736 2.916 17 HH22 ARG 2 1HH2 ARG 2 9.351 1.157 1.405 18 H GLN 3 H GLN 3 4.744 -1.673 -4.174 19 HA GLN 3 HA GLN 3 7.260 -2.077 -5.654 20 HB2 GLN 3 2HB GLN 3 7.378 -3.182 -3.497 21 HB3 GLN 3 3HB GLN 3 5.838 -3.981 -3.786 22 HG2 GLN 3 2HG GLN 3 6.936 -5.694 -4.642 23 HG3 GLN 3 3HG GLN 3 7.473 -4.652 -5.959 24 HE21 GLN 3 2HE2 GLN 3 10.771 -4.490 -4.913 25 HE22 GLN 3 1HE2 GLN 3 9.558 -4.006 -6.044 26 H ILE 4 H ILE 4 4.421 -4.140 -5.111 27 HA ILE 4 HA ILE 4 4.076 -4.273 -8.036 28 HB ILE 4 HB ILE 4 2.869 -6.540 -7.224 29 HG12 ILE 4 2HG1 ILE 4 5.308 -6.501 -5.477 30 HG13 ILE 4 3HG1 ILE 4 3.773 -5.902 -4.857 31 HG21 ILE 4 1HG2 ILE 4 4.456 -6.462 -9.006 32 HG22 ILE 4 2HG2 ILE 4 5.776 -6.121 -7.888 33 HG23 ILE 4 3HG2 ILE 4 4.988 -7.699 -7.866 34 HD11 ILE 4 3HD1 ILE 4 4.586 -8.666 -5.574 35 HD12 ILE 4 1HD1 ILE 4 3.691 -8.074 -4.174 36 HD13 ILE 4 2HD1 ILE 4 2.892 -8.209 -5.741 37 H LYS 5 H LYS 5 2.059 -5.463 -5.375 38 HA LYS 5 HA LYS 5 -0.109 -3.716 -6.344 39 HB2 LYS 5 2HB LYS 5 -0.115 -6.603 -5.556 40 HB3 LYS 5 3HB LYS 5 -1.566 -5.642 -5.299 41 HG2 LYS 5 2HG LYS 5 -1.703 -6.804 -7.406 42 HG3 LYS 5 3HG LYS 5 -1.589 -5.065 -7.686 43 HD2 LYS 5 2HD LYS 5 0.608 -5.209 -8.447 44 HD3 LYS 5 3HD LYS 5 0.868 -6.782 -7.690 45 HE2 LYS 5 2HE LYS 5 0.109 -7.877 -9.483 46 HE3 LYS 5 3HE LYS 5 -1.292 -6.819 -9.636 47 HZ1 LYS 5 3HZ LYS 5 0.668 -6.898 -11.416 48 HZ2 LYS 5 1HZ LYS 5 1.269 -5.680 -10.408 49 HZ3 LYS 5 2HZ LYS 5 -0.253 -5.509 -11.126 50 H ILE 6 H ILE 6 0.344 -2.103 -4.821 51 HA ILE 6 HA ILE 6 0.791 -2.418 -2.108 52 HB ILE 6 HB ILE 6 -0.125 -0.131 -1.828 53 HG12 ILE 6 2HG1 ILE 6 -0.514 0.706 -4.463 54 HG13 ILE 6 3HG1 ILE 6 -1.397 -0.813 -4.349 55 HG21 ILE 6 1HG2 ILE 6 1.780 -0.679 -4.086 56 HG22 ILE 6 2HG2 ILE 6 1.446 0.951 -3.505 57 HG23 ILE 6 3HG2 ILE 6 2.151 -0.245 -2.418 58 HD11 ILE 6 3HD1 ILE 6 -2.867 0.008 -2.787 59 HD12 ILE 6 1HD1 ILE 6 -1.753 1.260 -2.239 60 HD13 ILE 6 2HD1 ILE 6 -2.575 1.428 -3.790 61 H TRP 7 H TRP 7 -2.217 -2.522 -3.898 62 HA TRP 7 HA TRP 7 -4.000 -2.288 -1.736 63 HB2 TRP 7 2HB TRP 7 -4.545 -2.169 -4.218 64 HB3 TRP 7 3HB TRP 7 -4.493 -3.929 -4.221 65 HD1 TRP 7 HD1 TRP 7 -6.743 -1.041 -3.418 66 HE1 TRP 7 HE1 TRP 7 -8.998 -1.913 -2.537 67 HE3 TRP 7 HE3 TRP 7 -5.502 -5.953 -2.735 68 HZ2 TRP 7 HZ2 TRP 7 -10.105 -4.360 -1.667 69 HZ3 TRP 7 HZ3 TRP 7 -7.217 -7.494 -1.874 70 HH2 TRP 7 HH2 TRP 7 -9.470 -6.712 -1.352 71 H PHE 8 H PHE 8 -2.732 -5.194 -3.364 72 HA PHE 8 HA PHE 8 -3.926 -6.972 -1.463 73 HB2 PHE 8 2HB PHE 8 -2.546 -7.192 -3.973 74 HB3 PHE 8 3HB PHE 8 -1.824 -8.300 -2.810 75 HD1 PHE 8 HD1 PHE 8 -5.057 -7.293 -4.320 76 HD2 PHE 8 HD2 PHE 8 -2.862 -10.320 -2.287 77 HE1 PHE 8 HE1 PHE 8 -6.903 -8.876 -4.693 78 HE2 PHE 8 HE2 PHE 8 -4.704 -11.909 -2.657 79 HZ PHE 8 HZ PHE 8 -6.727 -11.188 -3.862 80 H GLN 9 H GLN 9 -1.059 -5.125 -1.559 81 HA GLN 9 HA GLN 9 0.589 -6.778 0.065 82 HB2 GLN 9 2HB GLN 9 1.794 -5.195 -1.132 83 HB3 GLN 9 3HB GLN 9 0.648 -3.908 -0.782 84 HG2 GLN 9 2HG GLN 9 1.570 -3.443 1.250 85 HG3 GLN 9 3HG GLN 9 2.165 -5.086 1.480 86 HE21 GLN 9 2HE2 GLN 9 4.337 -2.533 -0.878 87 HE22 GLN 9 1HE2 GLN 9 2.614 -2.423 -0.828 88 H ASN 10 H ASN 10 -1.971 -4.544 0.717 89 HA ASN 10 HA ASN 10 -1.379 -3.845 3.363 90 HB2 ASN 10 2HB ASN 10 -3.560 -3.525 1.557 91 HB3 ASN 10 3HB ASN 10 -4.204 -4.129 3.081 92 HD21 ASN 10 2HD2 ASN 10 -3.803 -0.342 2.897 93 HD22 ASN 10 1HD2 ASN 10 -4.321 -1.478 1.703 94 H ARG 11 H ARG 11 -2.174 -6.852 2.046 95 HA ARG 11 HA ARG 11 -2.868 -7.892 4.716 96 HB2 ARG 11 2HB ARG 11 -4.146 -9.658 3.630 97 HB3 ARG 11 3HB ARG 11 -4.741 -8.081 3.131 98 HG2 ARG 11 2HG ARG 11 -3.965 -8.312 0.983 99 HG3 ARG 11 3HG ARG 11 -2.709 -9.462 1.448 100 HD2 ARG 11 2HD ARG 11 -4.526 -10.525 0.176 101 HD3 ARG 11 3HD ARG 11 -4.374 -11.184 1.804 102 HE ARG 11 HE ARG 11 -6.287 -9.069 1.667 103 HH11 ARG 11 1HH1 ARG 11 -5.796 -12.460 1.049 104 HH12 ARG 11 2HH1 ARG 11 -7.470 -12.869 1.228 105 HH21 ARG 11 2HH2 ARG 11 -9.004 -11.238 1.714 106 HH22 ARG 11 1HH2 ARG 11 -8.494 -9.595 1.905 107 H ARG 12 H ARG 12 -0.225 -7.505 3.437 108 HA ARG 12 HA ARG 12 0.667 -10.246 2.970 109 HB2 ARG 12 2HB ARG 12 1.599 -8.779 1.391 110 HB3 ARG 12 3HB ARG 12 1.930 -7.545 2.599 111 HG2 ARG 12 2HG ARG 12 3.915 -8.432 3.146 112 HG3 ARG 12 3HG ARG 12 3.322 -10.090 3.030 113 HD2 ARG 12 2HD ARG 12 3.361 -8.876 0.431 114 HD3 ARG 12 3HD ARG 12 4.939 -8.702 1.198 115 HE ARG 12 HE ARG 12 3.948 -11.353 1.459 116 HH11 ARG 12 1HH1 ARG 12 5.436 -9.153 -0.792 117 HH12 ARG 12 2HH1 ARG 12 6.179 -10.407 -1.728 118 HH21 ARG 12 2HH2 ARG 12 5.886 -12.602 -1.143 119 HH22 ARG 12 1HH2 ARG 12 4.922 -13.013 0.235 120 H MET 13 H MET 13 0.898 -7.671 5.323 121 HA MET 13 HA MET 13 2.505 -9.447 7.041 122 HB2 MET 13 2HB MET 13 3.005 -7.124 8.200 123 HB3 MET 13 3HB MET 13 3.938 -7.671 6.814 124 HG2 MET 13 2HG MET 13 2.562 -6.314 5.335 125 HG3 MET 13 3HG MET 13 1.600 -5.781 6.712 126 HE1 MET 13 3HE MET 13 2.722 -5.072 8.802 127 HE2 MET 13 1HE MET 13 4.475 -4.925 8.935 128 HE3 MET 13 2HE MET 13 3.486 -3.487 8.682 129 H LYS 14 H LYS 14 -0.388 -7.642 6.673 130 HA LYS 14 HA LYS 14 -1.042 -7.554 9.481 131 HB2 LYS 14 2HB LYS 14 -2.488 -6.832 6.950 132 HB3 LYS 14 3HB LYS 14 -3.355 -6.918 8.477 133 HG2 LYS 14 2HG LYS 14 -0.876 -5.263 8.199 134 HG3 LYS 14 3HG LYS 14 -2.454 -4.646 7.707 135 HD2 LYS 14 2HD LYS 14 -2.175 -5.875 10.407 136 HD3 LYS 14 3HD LYS 14 -1.535 -4.251 10.144 137 HE2 LYS 14 2HE LYS 14 -4.328 -4.988 9.333 138 HE3 LYS 14 3HE LYS 14 -3.953 -4.486 10.981 139 HZ1 LYS 14 3HZ LYS 14 -3.903 -2.920 8.505 140 HZ2 LYS 14 1HZ LYS 14 -2.811 -2.512 9.731 141 HZ3 LYS 14 2HZ LYS 14 -4.473 -2.493 10.039 142 H TRP 15 H TRP 15 -0.416 -10.145 8.757 143 HA TRP 15 HA TRP 15 -2.871 -11.607 8.291 144 HB2 TRP 15 2HB TRP 15 -0.069 -12.150 8.071 145 HB3 TRP 15 3HB TRP 15 -0.796 -13.354 9.132 146 HD1 TRP 15 HD1 TRP 15 -0.241 -12.640 5.563 147 HE1 TRP 15 HE1 TRP 15 -1.641 -14.218 4.089 148 HE3 TRP 15 HE3 TRP 15 -3.371 -14.525 9.138 149 HZ2 TRP 15 HZ2 TRP 15 -3.789 -16.023 4.400 150 HZ3 TRP 15 HZ3 TRP 15 -5.071 -16.172 8.467 151 HH2 TRP 15 HH2 TRP 15 -5.275 -16.904 6.146 152 H LYS 16 H LYS 16 -0.879 -10.656 10.974 153 HA LYS 16 HA LYS 16 -1.589 -12.491 12.917 154 HB2 LYS 16 2HB LYS 16 -1.222 -10.610 14.545 155 HB3 LYS 16 3HB LYS 16 0.091 -10.867 13.403 156 HG2 LYS 16 2HG LYS 16 -1.798 -8.972 12.351 157 HG3 LYS 16 3HG LYS 16 -1.243 -8.479 13.953 158 HD2 LYS 16 2HD LYS 16 0.829 -9.452 12.082 159 HD3 LYS 16 3HD LYS 16 0.081 -7.902 11.689 160 HE2 LYS 16 2HE LYS 16 0.616 -7.840 14.445 161 HE3 LYS 16 3HE LYS 16 2.052 -8.523 13.685 162 HZ1 LYS 16 3HZ LYS 16 0.994 -5.839 13.546 163 HZ2 LYS 16 1HZ LYS 16 1.491 -6.468 12.056 164 HZ3 LYS 16 2HZ LYS 16 2.581 -6.389 13.347 165 H LYS 17 H LYS 17 -3.459 -9.905 11.528 166 HA LYS 17 HA LYS 17 -5.618 -10.386 13.463 167 HB2 LYS 17 2HB LYS 17 -6.542 -8.271 12.807 168 HB3 LYS 17 3HB LYS 17 -4.829 -8.038 13.130 169 HG2 LYS 17 2HG LYS 17 -4.838 -6.947 11.180 170 HG3 LYS 17 3HG LYS 17 -4.792 -8.562 10.469 171 HD2 LYS 17 2HD LYS 17 -6.537 -7.384 9.373 172 HD3 LYS 17 3HD LYS 17 -7.313 -8.516 10.484 173 HE2 LYS 17 2HE LYS 17 -6.746 -5.909 11.673 174 HE3 LYS 17 3HE LYS 17 -7.844 -5.829 10.297 175 HZ1 LYS 17 3HZ LYS 17 -8.620 -7.981 11.903 176 HZ2 LYS 17 1HZ LYS 17 -9.462 -6.545 11.601 177 HZ3 LYS 17 2HZ LYS 17 -8.403 -6.644 12.916
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