NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
9688 | 1omq | 5542 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ARG 43 H ARG 43 1.884 0.000 0.829 2 HA ARG 43 HA ARG 43 1.462 0.578 -1.938 3 1HB ARG 43 2HB ARG 43 3.802 0.490 -0.052 4 2HB ARG 43 3HB ARG 43 4.162 0.203 -1.743 5 1HG ARG 43 2HG ARG 43 3.875 2.397 -2.272 6 2HG ARG 43 3HG ARG 43 2.321 2.462 -1.464 7 1HD ARG 43 2HD ARG 43 3.353 3.808 0.065 8 2HD ARG 43 3HD ARG 43 4.070 2.338 0.696 9 HE ARG 43 HE ARG 43 6.129 3.032 -0.151 10 1HH1 ARG 43 2HH2 ARG 43 3.574 4.707 -1.897 11 2HH1 ARG 43 1HH2 ARG 43 4.668 5.701 -2.800 12 1HH2 ARG 43 2HH1 ARG 43 7.573 4.344 -1.342 13 2HH2 ARG 43 1HH1 ARG 43 6.958 5.493 -2.482 14 H GLN 44 H GLN 44 3.426 -1.896 -0.109 15 HA GLN 44 HA GLN 44 2.583 -3.823 -2.119 16 1HB GLN 44 2HB GLN 44 5.343 -2.959 -1.433 17 2HB GLN 44 3HB GLN 44 5.124 -4.697 -1.483 18 1HG GLN 44 2HG GLN 44 4.447 -4.679 -3.765 19 2HG GLN 44 3HG GLN 44 4.032 -2.977 -3.731 20 1HE2 GLN 44 1HE2 GLN 44 6.159 -5.095 -4.912 21 2HE2 GLN 44 2HE2 GLN 44 7.590 -4.131 -5.067 22 H ILE 45 H ILE 45 1.729 -3.128 0.705 23 HA ILE 45 HA ILE 45 2.482 -5.658 1.992 24 HB ILE 45 HB ILE 45 1.844 -2.934 3.059 25 1HG1 ILE 45 2HG1 ILE 45 3.898 -4.666 4.291 26 2HG1 ILE 45 3HG1 ILE 45 4.202 -4.247 2.616 27 1HG2 ILE 45 1HG2 ILE 45 0.298 -4.518 4.174 28 2HG2 ILE 45 2HG2 ILE 45 1.702 -5.482 4.693 29 3HG2 ILE 45 3HG2 ILE 45 1.501 -3.813 5.279 30 1HD1 ILE 45 1HD1 ILE 45 3.245 -1.912 4.099 31 2HD1 ILE 45 2HD1 ILE 45 4.682 -2.623 4.871 32 3HD1 ILE 45 3HD1 ILE 45 4.747 -2.116 3.166 33 H LYS 46 H LYS 46 -0.021 -3.821 0.446 34 HA LYS 46 HA LYS 46 -2.104 -5.406 1.727 35 1HB LYS 46 2HB LYS 46 -2.783 -3.192 1.659 36 2HB LYS 46 3HB LYS 46 -2.038 -2.885 0.104 37 1HG LYS 46 2HG LYS 46 -3.743 -4.220 -1.050 38 2HG LYS 46 3HG LYS 46 -4.423 -4.753 0.474 39 1HD LYS 46 2HD LYS 46 -4.630 -2.093 0.891 40 2HD LYS 46 3HD LYS 46 -4.629 -2.060 -0.861 41 1HE LYS 46 2HE LYS 46 -6.443 -3.997 -0.614 42 2HE LYS 46 3HE LYS 46 -6.633 -3.354 1.005 43 1HZ LYS 46 1HZ LYS 46 -8.119 -2.231 -0.404 44 2HZ LYS 46 2HZ LYS 46 -6.938 -1.156 -0.061 45 3HZ LYS 46 3HZ LYS 46 -6.973 -1.894 -1.517 46 H ILE 47 H ILE 47 0.036 -5.490 -0.946 47 HA ILE 47 HA ILE 47 -1.838 -7.143 -2.476 48 HB ILE 47 HB ILE 47 0.032 -6.868 -4.234 49 1HG1 ILE 47 2HG1 ILE 47 1.363 -4.840 -4.055 50 2HG1 ILE 47 3HG1 ILE 47 0.676 -4.479 -2.483 51 1HG2 ILE 47 1HG2 ILE 47 -1.478 -5.556 -5.193 52 2HG2 ILE 47 2HG2 ILE 47 -2.320 -5.454 -3.627 53 3HG2 ILE 47 3HG2 ILE 47 -1.111 -4.225 -4.070 54 1HD1 ILE 47 1HD1 ILE 47 1.873 -6.164 -1.404 55 2HD1 ILE 47 2HD1 ILE 47 1.968 -7.176 -2.866 56 3HD1 ILE 47 3HD1 ILE 47 3.017 -5.746 -2.702 57 H TRP 48 H TRP 48 0.756 -7.252 -0.235 58 HA TRP 48 HA TRP 48 1.735 -9.801 -1.247 59 1HB TRP 48 2HB TRP 48 2.835 -7.636 0.271 60 2HB TRP 48 3HB TRP 48 2.924 -9.099 1.232 61 HD1 TRP 48 HD1 TRP 48 5.223 -7.375 -0.767 62 HE1 TRP 48 HE1 TRP 48 6.958 -8.836 -2.117 63 HE3 TRP 48 HE3 TRP 48 2.608 -11.724 -0.444 64 HZ2 TRP 48 HZ2 TRP 48 7.040 -11.584 -2.880 65 HZ3 TRP 48 HZ3 TRP 48 3.586 -13.750 -1.518 66 HH2 TRP 48 HH2 TRP 48 5.723 -13.728 -2.705 67 H PHE 49 H PHE 49 -0.294 -8.295 1.265 68 HA PHE 49 HA PHE 49 -0.411 -10.520 2.975 69 1HB PHE 49 2HB PHE 49 -2.018 -8.007 2.359 70 2HB PHE 49 3HB PHE 49 -2.734 -9.189 3.436 71 HD1 PHE 49 HD1 PHE 49 0.891 -8.642 3.363 72 HD2 PHE 49 HD2 PHE 49 -2.749 -7.677 5.318 73 HE1 PHE 49 HE1 PHE 49 2.181 -7.671 5.285 74 HE2 PHE 49 HE2 PHE 49 -1.460 -6.707 7.240 75 HZ PHE 49 HZ PHE 49 0.990 -6.715 7.201 76 H GLN 50 H GLN 50 -2.186 -9.571 0.023 77 HA GLN 50 HA GLN 50 -4.121 -11.642 0.449 78 1HB GLN 50 2HB GLN 50 -5.265 -10.744 -1.420 79 2HB GLN 50 3HB GLN 50 -4.557 -9.341 -0.643 80 1HG GLN 50 2HG GLN 50 -3.729 -8.863 -2.720 81 2HG GLN 50 3HG GLN 50 -2.506 -10.058 -2.336 82 1HE2 GLN 50 1HE2 GLN 50 -2.963 -9.648 -4.896 83 2HE2 GLN 50 2HE2 GLN 50 -3.846 -10.936 -5.643 84 H ASN 51 H ASN 51 -0.938 -11.406 -0.764 85 HA ASN 51 HA ASN 51 -1.311 -13.412 -2.780 86 1HB ASN 51 2HB ASN 51 0.789 -11.497 -1.982 87 2HB ASN 51 3HB ASN 51 1.463 -13.083 -2.300 88 1HD2 ASN 51 1HD2 ASN 51 0.566 -10.195 -3.626 89 2HD2 ASN 51 2HD2 ASN 51 0.431 -10.626 -5.299 90 H ARG 52 H ARG 52 0.116 -12.944 0.504 91 HA ARG 52 HA ARG 52 1.258 -15.490 0.635 92 1HB ARG 52 2HB ARG 52 1.305 -13.159 2.186 93 2HB ARG 52 3HB ARG 52 0.452 -14.283 3.225 94 1HG ARG 52 2HG ARG 52 2.506 -15.888 2.325 95 2HG ARG 52 3HG ARG 52 3.295 -14.323 2.318 96 1HD ARG 52 2HD ARG 52 1.983 -14.243 4.756 97 2HD ARG 52 3HD ARG 52 2.346 -15.953 4.626 98 HE ARG 52 HE ARG 52 4.285 -13.767 4.928 99 1HH1 ARG 52 2HH2 ARG 52 3.817 -17.116 3.953 100 2HH1 ARG 52 1HH2 ARG 52 5.478 -17.550 4.187 101 1HH2 ARG 52 2HH1 ARG 52 6.476 -14.339 5.237 102 2HH2 ARG 52 1HH1 ARG 52 7.000 -15.960 4.922 103 H ARG 53 H ARG 53 -1.992 -14.247 1.019 104 HA ARG 53 HA ARG 53 -2.983 -16.049 2.846 105 1HB ARG 53 2HB ARG 53 -4.006 -14.041 1.034 106 2HB ARG 53 3HB ARG 53 -5.001 -15.472 0.853 107 1HG ARG 53 2HG ARG 53 -5.923 -15.248 2.935 108 2HG ARG 53 3HG ARG 53 -4.383 -14.872 3.682 109 1HD ARG 53 2HD ARG 53 -4.533 -12.530 2.745 110 2HD ARG 53 3HD ARG 53 -6.109 -12.918 2.084 111 HE ARG 53 HE ARG 53 -5.460 -12.451 4.914 112 1HH1 ARG 53 2HH2 ARG 53 -7.792 -13.794 2.646 113 2HH1 ARG 53 1HH2 ARG 53 -9.115 -13.712 3.760 114 1HH2 ARG 53 2HH1 ARG 53 -7.206 -12.343 6.385 115 2HH2 ARG 53 1HH1 ARG 53 -8.780 -12.881 5.901 116 H MET 54 H MET 54 -1.867 -16.489 -0.412 117 HA MET 54 HA MET 54 -3.557 -18.721 -0.964 118 1HB MET 54 2HB MET 54 -2.707 -17.236 -2.778 119 2HB MET 54 3HB MET 54 -1.051 -17.588 -2.327 120 1HG MET 54 2HG MET 54 -1.048 -19.611 -3.416 121 2HG MET 54 3HG MET 54 -2.655 -20.028 -2.856 122 1HE MET 54 1HE MET 54 -4.224 -20.632 -5.026 123 2HE MET 54 2HE MET 54 -4.724 -19.466 -3.778 124 3HE MET 54 3HE MET 54 -5.012 -19.107 -5.497 125 H LYS 55 H LYS 55 -0.603 -18.144 0.763 126 HA LYS 55 HA LYS 55 0.720 -20.561 0.268 127 1HB LYS 55 2HB LYS 55 1.358 -18.266 1.529 128 2HB LYS 55 3HB LYS 55 0.990 -19.253 2.929 129 1HG LYS 55 2HG LYS 55 2.506 -20.988 1.343 130 2HG LYS 55 3HG LYS 55 3.266 -19.438 1.044 131 1HD LYS 55 2HD LYS 55 4.426 -20.063 2.958 132 2HD LYS 55 3HD LYS 55 3.100 -19.191 3.701 133 1HE LYS 55 2HE LYS 55 2.612 -22.099 3.151 134 2HE LYS 55 3HE LYS 55 3.793 -21.741 4.395 135 1HZ LYS 55 1HZ LYS 55 1.682 -21.837 5.394 136 2HZ LYS 55 2HZ LYS 55 2.097 -20.258 5.380 137 3HZ LYS 55 3HZ LYS 55 1.006 -20.825 4.305 138 H TRP 56 H TRP 56 -1.754 -19.570 2.700 139 HA TRP 56 HA TRP 56 -1.762 -21.736 4.326 140 1HB TRP 56 2HB TRP 56 -3.556 -19.615 3.637 141 2HB TRP 56 3HB TRP 56 -4.475 -21.100 3.780 142 HD1 TRP 56 HD1 TRP 56 -1.415 -20.256 6.025 143 HE1 TRP 56 HE1 TRP 56 -2.125 -20.120 8.563 144 HE3 TRP 56 HE3 TRP 56 -6.403 -20.795 5.202 145 HZ2 TRP 56 HZ2 TRP 56 -4.637 -20.250 9.911 146 HZ3 TRP 56 HZ3 TRP 56 -7.916 -20.780 7.183 147 HH2 TRP 56 HH2 TRP 56 -7.106 -20.519 9.475 148 H LYS 57 H LYS 57 -3.552 -21.353 1.181 149 HA LYS 57 HA LYS 57 -4.799 -23.719 1.007 150 1HB LYS 57 2HB LYS 57 -4.465 -21.686 -0.672 151 2HB LYS 57 3HB LYS 57 -3.309 -22.775 -1.413 152 1HG LYS 57 2HG LYS 57 -5.526 -24.429 -0.906 153 2HG LYS 57 3HG LYS 57 -6.256 -22.910 -1.387 154 1HD LYS 57 2HD LYS 57 -5.940 -24.003 -3.455 155 2HD LYS 57 3HD LYS 57 -4.550 -22.939 -3.371 156 1HE LYS 57 2HE LYS 57 -3.049 -24.694 -2.915 157 2HE LYS 57 3HE LYS 57 -4.287 -25.715 -2.209 158 1HZ LYS 57 1HZ LYS 57 -5.211 -25.564 -4.636 159 2HZ LYS 57 2HZ LYS 57 -3.639 -25.302 -4.995 160 3HZ LYS 57 3HZ LYS 57 -4.083 -26.670 -4.221 161 H LYS 58 H LYS 58 -4.087 -25.692 1.634 162 HA LYS 58 HA LYS 58 -1.472 -26.472 1.815 163 1HB LYS 58 2HB LYS 58 -4.002 -28.087 1.420 164 2HB LYS 58 3HB LYS 58 -2.444 -28.817 1.753 165 1HG LYS 58 2HG LYS 58 -2.397 -28.071 3.944 166 2HG LYS 58 3HG LYS 58 -3.211 -26.565 3.566 167 1HD LYS 58 2HD LYS 58 -4.716 -29.199 3.413 168 2HD LYS 58 3HD LYS 58 -4.490 -28.400 4.956 169 1HE LYS 58 2HE LYS 58 -6.483 -27.391 4.338 170 2HE LYS 58 3HE LYS 58 -5.378 -26.259 3.586 171 1HZ LYS 58 1HZ LYS 58 -5.739 -27.186 1.528 172 2HZ LYS 58 2HZ LYS 58 -6.304 -28.603 2.113 173 3HZ LYS 58 3HZ LYS 58 -7.229 -27.259 2.194 Start of MODEL 2 1 H ARG 43 H ARG 43 2.436 2.248 -1.490 2 HA ARG 43 HA ARG 43 1.804 0.436 -0.292 3 1HB ARG 43 2HB ARG 43 -0.025 1.344 -2.392 4 2HB ARG 43 3HB ARG 43 -0.366 -0.324 -1.979 5 1HG ARG 43 2HG ARG 43 -0.395 0.358 0.474 6 2HG ARG 43 3HG ARG 43 -0.229 2.027 -0.035 7 1HD ARG 43 2HD ARG 43 -2.452 0.341 -1.218 8 2HD ARG 43 3HD ARG 43 -2.643 0.994 0.397 9 HE ARG 43 HE ARG 43 -2.757 3.182 -0.495 10 1HH1 ARG 43 2HH2 ARG 43 -1.838 0.880 -2.994 11 2HH1 ARG 43 1HH2 ARG 43 -2.073 2.002 -4.293 12 1HH2 ARG 43 2HH1 ARG 43 -3.067 4.662 -2.208 13 2HH2 ARG 43 1HH1 ARG 43 -2.777 4.167 -3.843 14 H GLN 44 H GLN 44 2.644 -1.610 -0.033 15 HA GLN 44 HA GLN 44 2.231 -3.500 -2.154 16 1HB GLN 44 2HB GLN 44 4.888 -2.341 -1.502 17 2HB GLN 44 3HB GLN 44 4.863 -4.093 -1.550 18 1HG GLN 44 2HG GLN 44 3.558 -3.788 -3.817 19 2HG GLN 44 3HG GLN 44 4.156 -2.143 -3.768 20 1HE2 GLN 44 1HE2 GLN 44 5.244 -2.739 -5.735 21 2HE2 GLN 44 2HE2 GLN 44 6.783 -3.533 -5.688 22 H ILE 45 H ILE 45 1.336 -2.926 0.680 23 HA ILE 45 HA ILE 45 2.368 -5.376 1.930 24 HB ILE 45 HB ILE 45 1.557 -2.717 3.018 25 1HG1 ILE 45 2HG1 ILE 45 3.566 -3.733 4.574 26 2HG1 ILE 45 3HG1 ILE 45 3.919 -4.490 3.034 27 1HG2 ILE 45 1HG2 ILE 45 1.455 -5.288 4.619 28 2HG2 ILE 45 2HG2 ILE 45 1.259 -3.635 5.250 29 3HG2 ILE 45 3HG2 ILE 45 0.051 -4.310 4.130 30 1HD1 ILE 45 1HD1 ILE 45 3.415 -1.984 2.134 31 2HD1 ILE 45 2HD1 ILE 45 3.960 -1.589 3.782 32 3HD1 ILE 45 3HD1 ILE 45 5.029 -2.495 2.685 33 H LYS 46 H LYS 46 -0.294 -3.850 0.371 34 HA LYS 46 HA LYS 46 -2.204 -5.613 1.702 35 1HB LYS 46 2HB LYS 46 -3.917 -4.232 0.760 36 2HB LYS 46 3HB LYS 46 -2.720 -3.188 1.503 37 1HG LYS 46 2HG LYS 46 -1.818 -2.510 -0.596 38 2HG LYS 46 3HG LYS 46 -2.505 -3.881 -1.444 39 1HD LYS 46 2HD LYS 46 -4.635 -2.341 -0.177 40 2HD LYS 46 3HD LYS 46 -3.637 -1.279 -1.153 41 1HE LYS 46 2HE LYS 46 -4.314 -2.239 -3.129 42 2HE LYS 46 3HE LYS 46 -4.266 -3.865 -2.476 43 1HZ LYS 46 1HZ LYS 46 -6.310 -2.860 -1.149 44 2HZ LYS 46 2HZ LYS 46 -6.444 -1.996 -2.528 45 3HZ LYS 46 3HZ LYS 46 -6.468 -3.628 -2.581 46 H ILE 47 H ILE 47 -0.064 -5.545 -0.935 47 HA ILE 47 HA ILE 47 -1.812 -7.285 -2.516 48 HB ILE 47 HB ILE 47 0.119 -6.900 -4.211 49 1HG1 ILE 47 2HG1 ILE 47 1.267 -4.766 -3.993 50 2HG1 ILE 47 3HG1 ILE 47 0.488 -4.458 -2.453 51 1HG2 ILE 47 1HG2 ILE 47 -2.264 -5.340 -3.514 52 2HG2 ILE 47 2HG2 ILE 47 -1.074 -4.441 -4.485 53 3HG2 ILE 47 3HG2 ILE 47 -1.725 -5.986 -5.082 54 1HD1 ILE 47 1HD1 ILE 47 1.793 -6.004 -1.311 55 2HD1 ILE 47 2HD1 ILE 47 1.992 -7.048 -2.739 56 3HD1 ILE 47 3HD1 ILE 47 2.937 -5.547 -2.596 57 H TRP 48 H TRP 48 0.763 -7.260 -0.236 58 HA TRP 48 HA TRP 48 1.922 -9.726 -1.237 59 1HB TRP 48 2HB TRP 48 2.921 -7.552 0.158 60 2HB TRP 48 3HB TRP 48 2.790 -8.793 1.389 61 HD1 TRP 48 HD1 TRP 48 5.138 -7.655 -1.225 62 HE1 TRP 48 HE1 TRP 48 7.064 -9.382 -1.743 63 HE3 TRP 48 HE3 TRP 48 2.974 -11.585 1.167 64 HZ2 TRP 48 HZ2 TRP 48 7.458 -12.136 -1.107 65 HZ3 TRP 48 HZ3 TRP 48 4.195 -13.758 1.172 66 HH2 TRP 48 HH2 TRP 48 6.363 -14.068 0.087 67 H PHE 49 H PHE 49 -0.168 -8.416 1.380 68 HA PHE 49 HA PHE 49 -0.277 -10.713 2.940 69 1HB PHE 49 2HB PHE 49 -2.121 -8.349 2.316 70 2HB PHE 49 3HB PHE 49 -2.635 -9.575 3.458 71 HD1 PHE 49 HD1 PHE 49 -2.751 -7.462 4.940 72 HD2 PHE 49 HD2 PHE 49 0.888 -9.146 3.547 73 HE1 PHE 49 HE1 PHE 49 -1.503 -6.280 6.770 74 HE2 PHE 49 HE2 PHE 49 2.136 -7.964 5.377 75 HZ PHE 49 HZ PHE 49 0.925 -6.545 6.966 76 H GLN 50 H GLN 50 -2.011 -9.764 -0.041 77 HA GLN 50 HA GLN 50 -3.966 -11.773 0.209 78 1HB GLN 50 2HB GLN 50 -4.581 -9.953 -1.162 79 2HB GLN 50 3HB GLN 50 -3.043 -9.928 -2.001 80 1HG GLN 50 2HG GLN 50 -4.505 -12.492 -2.307 81 2HG GLN 50 3HG GLN 50 -5.379 -11.115 -2.948 82 1HE2 GLN 50 1HE2 GLN 50 -2.834 -13.317 -3.378 83 2HE2 GLN 50 2HE2 GLN 50 -2.141 -12.680 -4.832 84 H ASN 51 H ASN 51 -0.689 -11.569 -1.172 85 HA ASN 51 HA ASN 51 -0.884 -13.864 -2.743 86 1HB ASN 51 2HB ASN 51 1.387 -12.239 -1.556 87 2HB ASN 51 3HB ASN 51 1.761 -13.782 -2.298 88 1HD2 ASN 51 1HD2 ASN 51 1.866 -13.968 -4.436 89 2HD2 ASN 51 2HD2 ASN 51 1.498 -12.726 -5.586 90 H ARG 52 H ARG 52 0.469 -13.176 0.566 91 HA ARG 52 HA ARG 52 1.149 -15.851 1.031 92 1HB ARG 52 2HB ARG 52 1.753 -15.115 3.244 93 2HB ARG 52 3HB ARG 52 2.103 -13.761 2.187 94 1HG ARG 52 2HG ARG 52 0.767 -12.474 3.491 95 2HG ARG 52 3HG ARG 52 -0.606 -13.397 2.916 96 1HD ARG 52 2HD ARG 52 -0.845 -13.805 5.188 97 2HD ARG 52 3HD ARG 52 0.217 -15.142 4.795 98 HE ARG 52 HE ARG 52 1.638 -12.665 5.486 99 1HH1 ARG 52 2HH2 ARG 52 0.227 -15.644 6.718 100 2HH1 ARG 52 1HH2 ARG 52 1.186 -15.652 8.160 101 1HH2 ARG 52 2HH1 ARG 52 2.904 -12.676 7.389 102 2HH2 ARG 52 1HH1 ARG 52 2.719 -13.953 8.544 103 H ARG 53 H ARG 53 -1.854 -14.321 0.798 104 HA ARG 53 HA ARG 53 -3.113 -15.632 2.975 105 1HB ARG 53 2HB ARG 53 -3.755 -13.533 1.133 106 2HB ARG 53 3HB ARG 53 -4.973 -14.770 0.896 107 1HG ARG 53 2HG ARG 53 -5.539 -14.764 3.284 108 2HG ARG 53 3HG ARG 53 -4.201 -13.690 3.645 109 1HD ARG 53 2HD ARG 53 -5.233 -11.842 2.473 110 2HD ARG 53 3HD ARG 53 -6.415 -12.886 1.710 111 HE ARG 53 HE ARG 53 -6.543 -12.981 4.631 112 1HH1 ARG 53 2HH2 ARG 53 -7.617 -11.237 1.770 113 2HH1 ARG 53 1HH2 ARG 53 -9.019 -10.576 2.544 114 1HH2 ARG 53 2HH1 ARG 53 -8.391 -12.110 5.652 115 2HH2 ARG 53 1HH1 ARG 53 -9.463 -11.075 4.766 116 H MET 54 H MET 54 -2.202 -16.416 -0.299 117 HA MET 54 HA MET 54 -4.001 -18.715 -0.207 118 1HB MET 54 2HB MET 54 -3.145 -16.835 -2.392 119 2HB MET 54 3HB MET 54 -3.230 -18.524 -2.854 120 1HG MET 54 2HG MET 54 -5.600 -18.471 -1.672 121 2HG MET 54 3HG MET 54 -5.462 -16.733 -1.845 122 1HE MET 54 1HE MET 54 -7.685 -18.898 -4.427 123 2HE MET 54 2HE MET 54 -6.350 -20.062 -4.248 124 3HE MET 54 3HE MET 54 -7.067 -19.302 -2.808 125 H LYS 55 H LYS 55 -1.326 -18.456 1.058 126 HA LYS 55 HA LYS 55 0.035 -20.532 -0.509 127 1HB LYS 55 2HB LYS 55 1.002 -17.991 -0.208 128 2HB LYS 55 3HB LYS 55 1.738 -18.792 1.167 129 1HG LYS 55 2HG LYS 55 1.990 -20.625 -0.998 130 2HG LYS 55 3HG LYS 55 2.377 -19.055 -1.673 131 1HD LYS 55 2HD LYS 55 3.595 -19.513 0.993 132 2HD LYS 55 3HD LYS 55 4.126 -20.665 -0.217 133 1HE LYS 55 2HE LYS 55 4.045 -17.832 -1.151 134 2HE LYS 55 3HE LYS 55 5.209 -18.148 0.120 135 1HZ LYS 55 1HZ LYS 55 5.191 -19.075 -2.586 136 2HZ LYS 55 2HZ LYS 55 6.452 -18.823 -1.579 137 3HZ LYS 55 3HZ LYS 55 5.605 -20.217 -1.495 138 H TRP 56 H TRP 56 -0.593 -19.036 2.715 139 HA TRP 56 HA TRP 56 0.616 -20.906 4.305 140 1HB TRP 56 2HB TRP 56 -1.403 -18.846 4.580 141 2HB TRP 56 3HB TRP 56 -1.762 -20.218 5.609 142 HD1 TRP 56 HD1 TRP 56 1.913 -19.261 4.954 143 HE1 TRP 56 HE1 TRP 56 3.083 -18.392 7.154 144 HE3 TRP 56 HE3 TRP 56 -2.316 -19.119 7.772 145 HZ2 TRP 56 HZ2 TRP 56 2.130 -17.757 9.768 146 HZ3 TRP 56 HZ3 TRP 56 -2.109 -18.363 10.139 147 HH2 TRP 56 HH2 TRP 56 0.016 -17.696 11.143 148 H LYS 57 H LYS 57 -2.730 -20.903 2.896 149 HA LYS 57 HA LYS 57 -3.071 -23.644 3.799 150 1HB LYS 57 2HB LYS 57 -4.873 -21.985 4.151 151 2HB LYS 57 3HB LYS 57 -5.001 -21.753 2.420 152 1HG LYS 57 2HG LYS 57 -6.381 -23.542 2.275 153 2HG LYS 57 3HG LYS 57 -5.104 -24.583 2.872 154 1HD LYS 57 2HD LYS 57 -5.786 -24.296 5.163 155 2HD LYS 57 3HD LYS 57 -6.796 -22.917 4.775 156 1HE LYS 57 2HE LYS 57 -8.565 -24.231 4.150 157 2HE LYS 57 3HE LYS 57 -7.548 -25.339 3.250 158 1HZ LYS 57 1HZ LYS 57 -7.340 -26.665 5.014 159 2HZ LYS 57 2HZ LYS 57 -7.227 -25.449 6.099 160 3HZ LYS 57 3HZ LYS 57 -8.692 -25.928 5.559 161 H LYS 58 H LYS 58 -3.240 -21.730 0.716 162 HA LYS 58 HA LYS 58 -3.219 -22.452 -1.401 163 1HB LYS 58 2HB LYS 58 -1.077 -22.909 -2.048 164 2HB LYS 58 3HB LYS 58 -0.776 -22.364 -0.411 165 1HG LYS 58 2HG LYS 58 -0.877 -24.784 0.355 166 2HG LYS 58 3HG LYS 58 -1.027 -25.269 -1.322 167 1HD LYS 58 2HD LYS 58 1.164 -24.366 -1.872 168 2HD LYS 58 3HD LYS 58 1.288 -23.554 -0.325 169 1HE LYS 58 2HE LYS 58 0.972 -26.044 0.632 170 2HE LYS 58 3HE LYS 58 1.569 -26.495 -0.953 171 1HZ LYS 58 1HZ LYS 58 2.987 -24.449 0.555 172 2HZ LYS 58 2HZ LYS 58 3.205 -26.019 0.949 173 3HZ LYS 58 3HZ LYS 58 3.564 -25.498 -0.557 Start of MODEL 3 1 H ARG 43 H ARG 43 -0.318 0.780 -0.189 2 HA ARG 43 HA ARG 43 -0.415 0.248 -2.636 3 1HB ARG 43 2HB ARG 43 1.857 1.241 -1.002 4 2HB ARG 43 3HB ARG 43 2.354 0.662 -2.580 5 1HG ARG 43 2HG ARG 43 0.430 2.097 -3.556 6 2HG ARG 43 3HG ARG 43 0.297 2.826 -1.968 7 1HD ARG 43 2HD ARG 43 1.816 4.309 -2.908 8 2HD ARG 43 3HD ARG 43 2.953 3.142 -2.266 9 HE ARG 43 HE ARG 43 2.391 2.130 -4.778 10 1HH1 ARG 43 2HH2 ARG 43 3.458 5.274 -3.611 11 2HH1 ARG 43 1HH2 ARG 43 4.325 5.659 -5.060 12 1HH2 ARG 43 2HH1 ARG 43 3.534 2.638 -6.689 13 2HH2 ARG 43 1HH1 ARG 43 4.369 4.149 -6.823 14 H GLN 44 H GLN 44 2.227 -1.364 -0.704 15 HA GLN 44 HA GLN 44 2.026 -3.572 -2.597 16 1HB GLN 44 2HB GLN 44 4.173 -1.904 -2.556 17 2HB GLN 44 3HB GLN 44 4.682 -3.035 -1.317 18 1HG GLN 44 2HG GLN 44 4.668 -4.885 -2.809 19 2HG GLN 44 3HG GLN 44 3.602 -4.087 -3.948 20 1HE2 GLN 44 1HE2 GLN 44 4.528 -3.484 -5.736 21 2HE2 GLN 44 2HE2 GLN 44 6.161 -2.950 -5.955 22 H ILE 45 H ILE 45 1.113 -2.733 0.334 23 HA ILE 45 HA ILE 45 2.206 -5.108 1.667 24 HB ILE 45 HB ILE 45 1.292 -2.433 2.627 25 1HG1 ILE 45 2HG1 ILE 45 3.372 -3.342 4.199 26 2HG1 ILE 45 3HG1 ILE 45 3.738 -4.061 2.644 27 1HG2 ILE 45 1HG2 ILE 45 -0.104 -3.611 4.033 28 2HG2 ILE 45 2HG2 ILE 45 0.965 -5.033 4.088 29 3HG2 ILE 45 3HG2 ILE 45 1.400 -3.557 4.983 30 1HD1 ILE 45 1HD1 ILE 45 3.598 -1.867 1.537 31 2HD1 ILE 45 2HD1 ILE 45 3.095 -1.106 3.065 32 3HD1 ILE 45 3HD1 ILE 45 4.735 -1.779 2.905 33 H LYS 46 H LYS 46 -0.550 -3.736 0.099 34 HA LYS 46 HA LYS 46 -2.381 -5.480 1.543 35 1HB LYS 46 2HB LYS 46 -3.027 -3.497 -0.650 36 2HB LYS 46 3HB LYS 46 -4.138 -4.250 0.476 37 1HG LYS 46 2HG LYS 46 -1.948 -2.889 1.889 38 2HG LYS 46 3HG LYS 46 -2.797 -1.788 0.822 39 1HD LYS 46 2HD LYS 46 -4.969 -2.940 1.894 40 2HD LYS 46 3HD LYS 46 -3.859 -3.332 3.192 41 1HE LYS 46 2HE LYS 46 -4.826 -1.216 3.788 42 2HE LYS 46 3HE LYS 46 -3.201 -0.851 3.247 43 1HZ LYS 46 1HZ LYS 46 -4.454 -0.645 0.973 44 2HZ LYS 46 2HZ LYS 46 -5.718 -0.295 1.945 45 3HZ LYS 46 3HZ LYS 46 -4.360 0.610 2.015 46 H ILE 47 H ILE 47 -0.348 -5.408 -1.250 47 HA ILE 47 HA ILE 47 -1.987 -7.428 -2.582 48 HB ILE 47 HB ILE 47 -0.182 -7.064 -4.386 49 1HG1 ILE 47 2HG1 ILE 47 0.948 -4.933 -4.377 50 2HG1 ILE 47 3HG1 ILE 47 0.192 -4.471 -2.866 51 1HG2 ILE 47 1HG2 ILE 47 -1.763 -5.897 -5.440 52 2HG2 ILE 47 2HG2 ILE 47 -2.684 -5.990 -3.919 53 3HG2 ILE 47 3HG2 ILE 47 -1.682 -4.560 -4.268 54 1HD1 ILE 47 1HD1 ILE 47 2.640 -5.458 -2.850 55 2HD1 ILE 47 2HD1 ILE 47 1.489 -5.962 -1.590 56 3HD1 ILE 47 3HD1 ILE 47 1.809 -7.027 -2.980 57 H TRP 48 H TRP 48 0.506 -7.123 -0.299 58 HA TRP 48 HA TRP 48 1.858 -9.553 -1.174 59 1HB TRP 48 2HB TRP 48 2.709 -7.210 0.085 60 2HB TRP 48 3HB TRP 48 2.741 -8.423 1.348 61 HD1 TRP 48 HD1 TRP 48 4.877 -7.144 -1.371 62 HE1 TRP 48 HE1 TRP 48 6.923 -8.711 -1.944 63 HE3 TRP 48 HE3 TRP 48 3.145 -11.206 1.150 64 HZ2 TRP 48 HZ2 TRP 48 7.571 -11.413 -1.292 65 HZ3 TRP 48 HZ3 TRP 48 4.547 -13.268 1.132 66 HH2 TRP 48 HH2 TRP 48 6.689 -13.413 -0.035 67 H PHE 49 H PHE 49 -0.326 -8.191 1.323 68 HA PHE 49 HA PHE 49 -0.245 -10.377 3.065 69 1HB PHE 49 2HB PHE 49 -2.253 -8.175 2.342 70 2HB PHE 49 3HB PHE 49 -2.616 -9.324 3.614 71 HD1 PHE 49 HD1 PHE 49 -2.803 -7.120 4.931 72 HD2 PHE 49 HD2 PHE 49 0.868 -8.636 3.436 73 HE1 PHE 49 HE1 PHE 49 -1.546 -5.697 6.574 74 HE2 PHE 49 HE2 PHE 49 2.125 -7.214 5.079 75 HZ PHE 49 HZ PHE 49 0.903 -5.761 6.628 76 H GLN 50 H GLN 50 -2.066 -9.719 0.064 77 HA GLN 50 HA GLN 50 -3.792 -11.953 0.533 78 1HB GLN 50 2HB GLN 50 -4.905 -11.294 -1.487 79 2HB GLN 50 3HB GLN 50 -4.487 -9.810 -0.654 80 1HG GLN 50 2HG GLN 50 -3.492 -9.152 -2.591 81 2HG GLN 50 3HG GLN 50 -2.213 -10.287 -2.205 82 1HE2 GLN 50 1HE2 GLN 50 -1.895 -12.028 -3.424 83 2HE2 GLN 50 2HE2 GLN 50 -2.879 -12.531 -4.758 84 H ASN 51 H ASN 51 -0.589 -11.638 -0.353 85 HA ASN 51 HA ASN 51 -0.682 -13.652 -2.409 86 1HB ASN 51 2HB ASN 51 1.367 -11.751 -1.301 87 2HB ASN 51 3HB ASN 51 1.994 -13.267 -1.916 88 1HD2 ASN 51 1HD2 ASN 51 2.715 -13.064 -3.883 89 2HD2 ASN 51 2HD2 ASN 51 2.000 -12.168 -5.183 90 H ARG 52 H ARG 52 0.534 -13.055 0.951 91 HA ARG 52 HA ARG 52 1.637 -15.638 1.180 92 1HB ARG 52 2HB ARG 52 1.891 -15.007 3.608 93 2HB ARG 52 3HB ARG 52 2.531 -13.789 2.523 94 1HG ARG 52 2HG ARG 52 0.598 -12.364 2.816 95 2HG ARG 52 3HG ARG 52 -0.318 -13.641 3.591 96 1HD ARG 52 2HD ARG 52 2.271 -12.988 4.926 97 2HD ARG 52 3HD ARG 52 1.092 -11.691 4.948 98 HE ARG 52 HE ARG 52 0.984 -14.051 6.546 99 1HH1 ARG 52 2HH2 ARG 52 -1.149 -12.069 4.568 100 2HH1 ARG 52 1HH2 ARG 52 -2.572 -12.477 5.468 101 1HH2 ARG 52 2HH1 ARG 52 -0.893 -14.590 7.732 102 2HH2 ARG 52 1HH1 ARG 52 -2.425 -13.921 7.280 103 H ARG 53 H ARG 53 -1.555 -14.319 1.364 104 HA ARG 53 HA ARG 53 -2.459 -16.353 3.185 105 1HB ARG 53 2HB ARG 53 -3.271 -13.785 2.872 106 2HB ARG 53 3HB ARG 53 -4.373 -14.529 1.730 107 1HG ARG 53 2HG ARG 53 -5.488 -15.763 3.382 108 2HG ARG 53 3HG ARG 53 -4.093 -15.819 4.441 109 1HD ARG 53 2HD ARG 53 -5.193 -14.182 5.614 110 2HD ARG 53 3HD ARG 53 -4.553 -13.106 4.388 111 HE ARG 53 HE ARG 53 -6.878 -14.024 3.219 112 1HH1 ARG 53 2HH2 ARG 53 -6.164 -12.581 6.349 113 2HH1 ARG 53 1HH2 ARG 53 -7.728 -11.855 6.514 114 1HH2 ARG 53 2HH1 ARG 53 -8.942 -13.067 3.438 115 2HH2 ARG 53 1HH1 ARG 53 -9.319 -12.135 4.848 116 H MET 54 H MET 54 -1.370 -16.839 0.338 117 HA MET 54 HA MET 54 -3.781 -18.081 -0.742 118 1HB MET 54 2HB MET 54 -2.025 -16.284 -1.956 119 2HB MET 54 3HB MET 54 -1.357 -17.818 -2.479 120 1HG MET 54 2HG MET 54 -4.076 -18.233 -2.882 121 2HG MET 54 3HG MET 54 -3.926 -16.524 -3.235 122 1HE MET 54 1HE MET 54 -4.255 -19.602 -4.583 123 2HE MET 54 2HE MET 54 -4.726 -18.392 -5.800 124 3HE MET 54 3HE MET 54 -3.460 -19.585 -6.176 125 H LYS 55 H LYS 55 -0.568 -18.557 0.561 126 HA LYS 55 HA LYS 55 0.100 -20.975 -0.641 127 1HB LYS 55 2HB LYS 55 1.549 -19.430 0.763 128 2HB LYS 55 3HB LYS 55 0.795 -20.128 2.182 129 1HG LYS 55 2HG LYS 55 2.461 -21.687 2.050 130 2HG LYS 55 3HG LYS 55 1.470 -22.414 0.801 131 1HD LYS 55 2HD LYS 55 2.877 -20.385 -0.558 132 2HD LYS 55 3HD LYS 55 4.060 -21.033 0.558 133 1HE LYS 55 2HE LYS 55 4.366 -22.778 -0.859 134 2HE LYS 55 3HE LYS 55 2.740 -23.315 -0.488 135 1HZ LYS 55 1HZ LYS 55 1.916 -21.968 -2.264 136 2HZ LYS 55 2HZ LYS 55 3.397 -21.353 -2.574 137 3HZ LYS 55 3HZ LYS 55 3.096 -22.935 -2.845 138 H TRP 56 H TRP 56 -1.640 -20.310 2.477 139 HA TRP 56 HA TRP 56 -2.517 -23.108 2.425 140 1HB TRP 56 2HB TRP 56 -2.401 -21.090 4.672 141 2HB TRP 56 3HB TRP 56 -3.120 -22.682 4.808 142 HD1 TRP 56 HD1 TRP 56 -0.010 -21.107 5.700 143 HE1 TRP 56 HE1 TRP 56 2.056 -22.735 5.904 144 HE3 TRP 56 HE3 TRP 56 -2.146 -24.977 3.188 145 HZ2 TRP 56 HZ2 TRP 56 2.554 -25.399 5.011 146 HZ3 TRP 56 HZ3 TRP 56 -0.802 -27.056 2.898 147 HH2 TRP 56 HH2 TRP 56 1.471 -27.303 3.761 148 H LYS 57 H LYS 57 -3.969 -22.352 0.566 149 HA LYS 57 HA LYS 57 -5.905 -20.426 0.840 150 1HB LYS 57 2HB LYS 57 -7.171 -21.883 -0.836 151 2HB LYS 57 3HB LYS 57 -5.574 -21.323 -1.294 152 1HG LYS 57 2HG LYS 57 -4.807 -23.450 -1.483 153 2HG LYS 57 3HG LYS 57 -5.325 -23.838 0.147 154 1HD LYS 57 2HD LYS 57 -7.201 -24.915 -0.582 155 2HD LYS 57 3HD LYS 57 -7.610 -23.631 -1.703 156 1HE LYS 57 2HE LYS 57 -5.557 -24.594 -3.106 157 2HE LYS 57 3HE LYS 57 -5.828 -26.039 -2.151 158 1HZ LYS 57 1HZ LYS 57 -7.369 -25.005 -4.275 159 2HZ LYS 57 2HZ LYS 57 -7.411 -26.491 -3.599 160 3HZ LYS 57 3HZ LYS 57 -8.302 -25.278 -2.963 161 H LYS 58 H LYS 58 -5.632 -23.607 2.349 162 HA LYS 58 HA LYS 58 -6.855 -24.632 3.872 163 1HB LYS 58 2HB LYS 58 -7.685 -21.785 4.271 164 2HB LYS 58 3HB LYS 58 -8.597 -23.034 5.095 165 1HG LYS 58 2HG LYS 58 -6.234 -23.967 5.804 166 2HG LYS 58 3HG LYS 58 -5.644 -22.379 5.356 167 1HD LYS 58 2HD LYS 58 -8.043 -22.617 7.193 168 2HD LYS 58 3HD LYS 58 -6.433 -22.846 7.844 169 1HE LYS 58 2HE LYS 58 -6.911 -20.425 6.108 170 2HE LYS 58 3HE LYS 58 -7.580 -20.411 7.728 171 1HZ LYS 58 1HZ LYS 58 -4.761 -20.945 7.085 172 2HZ LYS 58 2HZ LYS 58 -5.346 -19.529 7.653 173 3HZ LYS 58 3HZ LYS 58 -5.397 -20.867 8.587 Start of MODEL 4 1 H ARG 43 H ARG 43 1.743 -0.556 -0.141 2 HA ARG 43 HA ARG 43 0.049 -0.510 -1.930 3 1HB ARG 43 2HB ARG 43 2.111 0.962 -3.196 4 2HB ARG 43 3HB ARG 43 2.099 -0.570 -4.045 5 1HG ARG 43 2HG ARG 43 -0.201 -0.335 -4.684 6 2HG ARG 43 3HG ARG 43 -0.492 0.925 -3.501 7 1HD ARG 43 2HD ARG 43 1.642 1.880 -5.144 8 2HD ARG 43 3HD ARG 43 0.470 1.181 -6.243 9 HE ARG 43 HE ARG 43 -1.079 2.856 -5.656 10 1HH1 ARG 43 2HH2 ARG 43 1.640 2.902 -3.422 11 2HH1 ARG 43 1HH2 ARG 43 1.175 4.399 -2.686 12 1HH2 ARG 43 2HH1 ARG 43 -1.692 4.832 -4.686 13 2HH2 ARG 43 1HH1 ARG 43 -0.733 5.505 -3.411 14 H GLN 44 H GLN 44 3.253 -1.766 -1.208 15 HA GLN 44 HA GLN 44 2.630 -4.267 -2.529 16 1HB GLN 44 2HB GLN 44 5.114 -2.901 -1.602 17 2HB GLN 44 3HB GLN 44 5.108 -4.643 -1.403 18 1HG GLN 44 2HG GLN 44 4.496 -4.919 -3.813 19 2HG GLN 44 3HG GLN 44 4.489 -3.177 -4.014 20 1HE2 GLN 44 1HE2 GLN 44 6.060 -4.487 -5.648 21 2HE2 GLN 44 2HE2 GLN 44 7.739 -4.348 -5.248 22 H ILE 45 H ILE 45 1.300 -3.152 0.002 23 HA ILE 45 HA ILE 45 2.060 -5.343 1.805 24 HB ILE 45 HB ILE 45 2.500 -3.474 3.033 25 1HG1 ILE 45 2HG1 ILE 45 0.594 -4.976 3.983 26 2HG1 ILE 45 3HG1 ILE 45 1.009 -3.476 4.786 27 1HG2 ILE 45 1HG2 ILE 45 0.805 -1.473 2.990 28 2HG2 ILE 45 2HG2 ILE 45 2.025 -1.657 1.707 29 3HG2 ILE 45 3HG2 ILE 45 0.343 -2.164 1.416 30 1HD1 ILE 45 1HD1 ILE 45 -0.970 -2.448 4.209 31 2HD1 ILE 45 2HD1 ILE 45 -1.040 -3.248 2.620 32 3HD1 ILE 45 3HD1 ILE 45 -1.538 -4.130 4.084 33 H LYS 46 H LYS 46 -0.293 -4.113 -0.384 34 HA LYS 46 HA LYS 46 -2.432 -5.600 0.937 35 1HB LYS 46 2HB LYS 46 -3.303 -3.542 0.402 36 2HB LYS 46 3HB LYS 46 -2.313 -3.356 -1.032 37 1HG LYS 46 2HG LYS 46 -3.662 -5.186 -2.149 38 2HG LYS 46 3HG LYS 46 -4.694 -5.248 -0.733 39 1HD LYS 46 2HD LYS 46 -5.861 -3.409 -1.386 40 2HD LYS 46 3HD LYS 46 -4.396 -2.487 -1.659 41 1HE LYS 46 2HE LYS 46 -4.915 -2.611 -3.877 42 2HE LYS 46 3HE LYS 46 -4.348 -4.268 -3.796 43 1HZ LYS 46 1HZ LYS 46 -6.443 -4.548 -4.566 44 2HZ LYS 46 2HZ LYS 46 -6.758 -4.667 -2.968 45 3HZ LYS 46 3HZ LYS 46 -7.072 -3.274 -3.761 46 H ILE 47 H ILE 47 0.053 -5.966 -1.375 47 HA ILE 47 HA ILE 47 -1.492 -7.992 -2.823 48 HB ILE 47 HB ILE 47 0.619 -7.870 -4.323 49 1HG1 ILE 47 2HG1 ILE 47 1.749 -5.714 -4.347 50 2HG1 ILE 47 3HG1 ILE 47 0.805 -5.159 -2.979 51 1HG2 ILE 47 1HG2 ILE 47 -1.276 -7.214 -5.404 52 2HG2 ILE 47 2HG2 ILE 47 -1.721 -6.029 -4.152 53 3HG2 ILE 47 3HG2 ILE 47 -0.438 -5.646 -5.324 54 1HD1 ILE 47 1HD1 ILE 47 1.960 -6.478 -1.452 55 2HD1 ILE 47 2HD1 ILE 47 2.317 -7.741 -2.655 56 3HD1 ILE 47 3HD1 ILE 47 3.246 -6.222 -2.656 57 H TRP 48 H TRP 48 0.784 -7.510 -0.291 58 HA TRP 48 HA TRP 48 2.022 -10.114 -0.691 59 1HB TRP 48 2HB TRP 48 2.778 -7.645 0.546 60 2HB TRP 48 3HB TRP 48 2.808 -8.911 1.758 61 HD1 TRP 48 HD1 TRP 48 5.284 -7.383 -0.171 62 HE1 TRP 48 HE1 TRP 48 7.263 -8.912 -1.011 63 HE3 TRP 48 HE3 TRP 48 2.856 -11.798 0.511 64 HZ2 TRP 48 HZ2 TRP 48 7.584 -11.735 -1.288 65 HZ3 TRP 48 HZ3 TRP 48 4.074 -13.895 -0.068 66 HH2 TRP 48 HH2 TRP 48 6.357 -13.910 -0.940 67 H PHE 49 H PHE 49 -0.411 -8.362 1.240 68 HA PHE 49 HA PHE 49 -0.653 -10.261 3.289 69 1HB PHE 49 2HB PHE 49 -2.345 -8.068 2.002 70 2HB PHE 49 3HB PHE 49 -3.071 -9.073 3.240 71 HD1 PHE 49 HD1 PHE 49 0.439 -8.575 3.716 72 HD2 PHE 49 HD2 PHE 49 -3.367 -6.827 4.399 73 HE1 PHE 49 HE1 PHE 49 1.433 -7.105 5.491 74 HE2 PHE 49 HE2 PHE 49 -2.373 -5.357 6.174 75 HZ PHE 49 HZ PHE 49 0.014 -5.514 6.700 76 H GLN 50 H GLN 50 -2.039 -9.990 0.007 77 HA GLN 50 HA GLN 50 -3.934 -12.057 0.528 78 1HB GLN 50 2HB GLN 50 -4.506 -10.272 -1.043 79 2HB GLN 50 3HB GLN 50 -3.099 -10.621 -2.028 80 1HG GLN 50 2HG GLN 50 -4.178 -13.075 -2.120 81 2HG GLN 50 3HG GLN 50 -5.653 -12.208 -1.736 82 1HE2 GLN 50 1HE2 GLN 50 -2.882 -12.272 -3.939 83 2HE2 GLN 50 2HE2 GLN 50 -3.684 -11.632 -5.334 84 H ASN 51 H ASN 51 -0.656 -11.722 -0.803 85 HA ASN 51 HA ASN 51 -0.642 -14.219 -2.085 86 1HB ASN 51 2HB ASN 51 1.422 -12.170 -1.256 87 2HB ASN 51 3HB ASN 51 1.998 -13.770 -1.678 88 1HD2 ASN 51 1HD2 ASN 51 2.162 -11.058 -2.962 89 2HD2 ASN 51 2HD2 ASN 51 1.654 -11.280 -4.603 90 H ARG 52 H ARG 52 0.083 -12.963 1.186 91 HA ARG 52 HA ARG 52 1.404 -15.314 2.023 92 1HB ARG 52 2HB ARG 52 0.939 -12.670 3.042 93 2HB ARG 52 3HB ARG 52 0.308 -13.780 4.242 94 1HG ARG 52 2HG ARG 52 2.466 -13.954 4.963 95 2HG ARG 52 3HG ARG 52 2.700 -15.009 3.583 96 1HD ARG 52 2HD ARG 52 4.321 -13.517 2.959 97 2HD ARG 52 3HD ARG 52 2.989 -12.527 2.395 98 HE ARG 52 HE ARG 52 3.179 -11.888 5.094 99 1HH1 ARG 52 2HH2 ARG 52 5.431 -11.869 2.390 100 2HH1 ARG 52 1HH2 ARG 52 6.382 -10.568 3.026 101 1HH2 ARG 52 2HH1 ARG 52 4.433 -10.173 5.934 102 2HH2 ARG 52 1HH1 ARG 52 5.810 -9.597 5.055 103 H ARG 53 H ARG 53 -1.911 -14.267 1.673 104 HA ARG 53 HA ARG 53 -2.745 -16.476 3.376 105 1HB ARG 53 2HB ARG 53 -3.842 -13.735 2.905 106 2HB ARG 53 3HB ARG 53 -5.049 -15.004 2.964 107 1HG ARG 53 2HG ARG 53 -4.407 -15.670 5.185 108 2HG ARG 53 3HG ARG 53 -2.895 -14.789 5.101 109 1HD ARG 53 2HD ARG 53 -4.071 -13.199 6.285 110 2HD ARG 53 3HD ARG 53 -4.616 -12.712 4.692 111 HE ARG 53 HE ARG 53 -6.386 -14.746 5.489 112 1HH1 ARG 53 2HH2 ARG 53 -5.430 -11.578 6.687 113 2HH1 ARG 53 1HH2 ARG 53 -6.959 -11.259 7.436 114 1HH2 ARG 53 2HH1 ARG 53 -8.403 -14.325 6.477 115 2HH2 ARG 53 1HH1 ARG 53 -8.661 -12.831 7.315 116 H MET 54 H MET 54 -2.143 -17.738 1.289 117 HA MET 54 HA MET 54 -4.257 -18.777 0.103 118 1HB MET 54 2HB MET 54 -3.733 -16.088 -1.001 119 2HB MET 54 3HB MET 54 -3.657 -17.305 -2.260 120 1HG MET 54 2HG MET 54 -5.931 -18.027 -0.740 121 2HG MET 54 3HG MET 54 -6.001 -16.278 -0.814 122 1HE MET 54 1HE MET 54 -5.168 -19.410 -2.776 123 2HE MET 54 2HE MET 54 -6.946 -19.491 -2.806 124 3HE MET 54 3HE MET 54 -6.043 -19.227 -4.316 125 H LYS 55 H LYS 55 -0.942 -17.612 -0.171 126 HA LYS 55 HA LYS 55 -0.200 -19.308 -2.324 127 1HB LYS 55 2HB LYS 55 0.993 -17.233 -1.803 128 2HB LYS 55 3HB LYS 55 1.462 -17.863 -0.238 129 1HG LYS 55 2HG LYS 55 3.006 -19.371 -1.140 130 2HG LYS 55 3HG LYS 55 2.129 -19.539 -2.649 131 1HD LYS 55 2HD LYS 55 3.650 -18.107 -3.548 132 2HD LYS 55 3HD LYS 55 2.835 -16.834 -2.661 133 1HE LYS 55 2HE LYS 55 4.708 -18.334 -0.948 134 2HE LYS 55 3HE LYS 55 5.515 -17.639 -2.339 135 1HZ LYS 55 1HZ LYS 55 5.519 -15.970 -0.777 136 2HZ LYS 55 2HZ LYS 55 4.247 -15.549 -1.711 137 3HZ LYS 55 3HZ LYS 55 3.997 -16.259 -0.261 138 H TRP 56 H TRP 56 -0.381 -19.592 1.230 139 HA TRP 56 HA TRP 56 0.602 -22.350 0.946 140 1HB TRP 56 2HB TRP 56 0.597 -20.749 3.497 141 2HB TRP 56 3HB TRP 56 1.422 -22.257 3.157 142 HD1 TRP 56 HD1 TRP 56 2.101 -18.621 3.263 143 HE1 TRP 56 HE1 TRP 56 4.414 -17.949 2.184 144 HE3 TRP 56 HE3 TRP 56 2.903 -23.068 0.933 145 HZ2 TRP 56 HZ2 TRP 56 6.277 -19.322 0.514 146 HZ3 TRP 56 HZ3 TRP 56 4.993 -23.320 -0.402 147 HH2 TRP 56 HH2 TRP 56 6.649 -21.538 -0.631 148 H LYS 57 H LYS 57 -1.790 -22.509 0.121 149 HA LYS 57 HA LYS 57 -3.322 -23.523 2.311 150 1HB LYS 57 2HB LYS 57 -3.981 -21.239 2.587 151 2HB LYS 57 3HB LYS 57 -4.239 -21.028 0.866 152 1HG LYS 57 2HG LYS 57 -6.276 -22.130 0.887 153 2HG LYS 57 3HG LYS 57 -5.777 -23.264 2.126 154 1HD LYS 57 2HD LYS 57 -6.090 -21.613 3.887 155 2HD LYS 57 3HD LYS 57 -6.294 -20.319 2.724 156 1HE LYS 57 2HE LYS 57 -8.301 -21.888 1.850 157 2HE LYS 57 3HE LYS 57 -8.224 -22.509 3.487 158 1HZ LYS 57 1HZ LYS 57 -9.683 -20.512 3.032 159 2HZ LYS 57 2HZ LYS 57 -8.721 -20.443 4.349 160 3HZ LYS 57 3HZ LYS 57 -8.309 -19.630 2.995 161 H LYS 58 H LYS 58 -3.264 -25.521 1.289 162 HA LYS 58 HA LYS 58 -3.621 -25.860 -1.460 163 1HB LYS 58 2HB LYS 58 -3.610 -27.607 0.958 164 2HB LYS 58 3HB LYS 58 -4.326 -28.263 -0.500 165 1HG LYS 58 2HG LYS 58 -1.800 -26.867 -1.074 166 2HG LYS 58 3HG LYS 58 -1.576 -28.139 0.110 167 1HD LYS 58 2HD LYS 58 -3.069 -29.564 -1.587 168 2HD LYS 58 3HD LYS 58 -2.547 -28.357 -2.747 169 1HE LYS 58 2HE LYS 58 -0.243 -28.928 -2.498 170 2HE LYS 58 3HE LYS 58 -0.508 -29.728 -0.962 171 1HZ LYS 58 1HZ LYS 58 -1.316 -31.566 -1.983 172 2HZ LYS 58 2HZ LYS 58 -1.877 -30.775 -3.296 173 3HZ LYS 58 3HZ LYS 58 -0.279 -31.074 -3.144 Start of MODEL 5 1 H ARG 43 H ARG 43 -1.411 0.578 1.773 2 HA ARG 43 HA ARG 43 0.715 1.769 0.293 3 1HB ARG 43 2HB ARG 43 0.051 1.688 2.977 4 2HB ARG 43 3HB ARG 43 1.311 0.471 2.919 5 1HG ARG 43 2HG ARG 43 2.971 2.001 2.351 6 2HG ARG 43 3HG ARG 43 1.870 3.037 1.463 7 1HD ARG 43 2HD ARG 43 0.812 3.650 3.743 8 2HD ARG 43 3HD ARG 43 2.169 2.832 4.493 9 HE ARG 43 HE ARG 43 2.957 4.817 2.475 10 1HH1 ARG 43 2HH2 ARG 43 2.204 4.271 5.869 11 2HH1 ARG 43 1HH2 ARG 43 3.076 5.664 6.418 12 1HH2 ARG 43 2HH1 ARG 43 4.108 6.653 3.199 13 2HH2 ARG 43 1HH1 ARG 43 4.166 7.028 4.890 14 H GLN 44 H GLN 44 0.065 -0.444 -1.144 15 HA GLN 44 HA GLN 44 0.602 -2.489 -1.764 16 1HB GLN 44 2HB GLN 44 3.296 -2.682 -1.774 17 2HB GLN 44 3HB GLN 44 2.419 -1.660 -2.896 18 1HG GLN 44 2HG GLN 44 2.679 0.268 -1.275 19 2HG GLN 44 3HG GLN 44 3.649 -0.766 -0.245 20 1HE2 GLN 44 1HE2 GLN 44 5.487 -1.908 -1.370 21 2HE2 GLN 44 2HE2 GLN 44 6.448 -0.986 -2.477 22 H ILE 45 H ILE 45 -0.155 -2.479 1.003 23 HA ILE 45 HA ILE 45 1.669 -4.528 2.057 24 HB ILE 45 HB ILE 45 1.878 -2.796 3.552 25 1HG1 ILE 45 2HG1 ILE 45 0.914 -5.042 4.490 26 2HG1 ILE 45 3HG1 ILE 45 1.109 -3.650 5.537 27 1HG2 ILE 45 1HG2 ILE 45 -0.029 -1.413 4.374 28 2HG2 ILE 45 2HG2 ILE 45 0.306 -1.235 2.635 29 3HG2 ILE 45 3HG2 ILE 45 -1.072 -2.221 3.179 30 1HD1 ILE 45 1HD1 ILE 45 -1.189 -4.990 5.481 31 2HD1 ILE 45 2HD1 ILE 45 -1.186 -3.217 5.641 32 3HD1 ILE 45 3HD1 ILE 45 -1.502 -3.968 4.058 33 H LYS 46 H LYS 46 -1.307 -3.923 0.577 34 HA LYS 46 HA LYS 46 -2.499 -6.259 1.902 35 1HB LYS 46 2HB LYS 46 -4.671 -5.369 1.247 36 2HB LYS 46 3HB LYS 46 -3.795 -4.215 2.232 37 1HG LYS 46 2HG LYS 46 -3.100 -3.758 -0.543 38 2HG LYS 46 3HG LYS 46 -4.846 -3.844 -0.419 39 1HD LYS 46 2HD LYS 46 -4.573 -2.235 1.637 40 2HD LYS 46 3HD LYS 46 -2.956 -1.950 1.024 41 1HE LYS 46 2HE LYS 46 -4.415 -0.235 0.100 42 2HE LYS 46 3HE LYS 46 -3.953 -1.305 -1.208 43 1HZ LYS 46 1HZ LYS 46 -6.382 -1.896 0.273 44 2HZ LYS 46 2HZ LYS 46 -6.412 -0.689 -0.827 45 3HZ LYS 46 3HZ LYS 46 -6.022 -2.206 -1.290 46 H ILE 47 H ILE 47 -0.513 -5.677 -0.537 47 HA ILE 47 HA ILE 47 -2.047 -7.278 -2.463 48 HB ILE 47 HB ILE 47 -0.033 -6.374 -3.945 49 1HG1 ILE 47 2HG1 ILE 47 0.416 -3.993 -3.374 50 2HG1 ILE 47 3HG1 ILE 47 -0.385 -4.226 -1.833 51 1HG2 ILE 47 1HG2 ILE 47 -2.669 -6.056 -3.970 52 2HG2 ILE 47 2HG2 ILE 47 -2.225 -4.400 -3.493 53 3HG2 ILE 47 3HG2 ILE 47 -1.591 -5.091 -5.005 54 1HD1 ILE 47 1HD1 ILE 47 2.310 -4.624 -2.271 55 2HD1 ILE 47 2HD1 ILE 47 1.390 -5.354 -0.934 56 3HD1 ILE 47 3HD1 ILE 47 1.675 -6.280 -2.427 57 H TRP 48 H TRP 48 0.738 -7.087 -0.326 58 HA TRP 48 HA TRP 48 2.042 -9.339 -1.584 59 1HB TRP 48 2HB TRP 48 2.889 -7.187 -0.049 60 2HB TRP 48 3HB TRP 48 3.004 -8.547 1.051 61 HD1 TRP 48 HD1 TRP 48 4.931 -6.906 -1.669 62 HE1 TRP 48 HE1 TRP 48 7.016 -8.312 -2.468 63 HE3 TRP 48 HE3 TRP 48 3.563 -11.225 0.639 64 HZ2 TRP 48 HZ2 TRP 48 7.841 -11.013 -2.056 65 HZ3 TRP 48 HZ3 TRP 48 5.064 -13.200 0.391 66 HH2 TRP 48 HH2 TRP 48 7.139 -13.142 -0.901 67 H PHE 49 H PHE 49 -0.148 -8.535 1.111 68 HA PHE 49 HA PHE 49 0.165 -10.913 2.551 69 1HB PHE 49 2HB PHE 49 -1.980 -8.770 2.156 70 2HB PHE 49 3HB PHE 49 -2.328 -10.146 3.184 71 HD1 PHE 49 HD1 PHE 49 -2.638 -8.614 5.080 72 HD2 PHE 49 HD2 PHE 49 1.088 -8.900 3.070 73 HE1 PHE 49 HE1 PHE 49 -1.512 -7.461 7.004 74 HE2 PHE 49 HE2 PHE 49 2.215 -7.747 4.995 75 HZ PHE 49 HZ PHE 49 0.901 -7.042 6.938 76 H GLN 50 H GLN 50 -1.692 -10.065 -0.363 77 HA GLN 50 HA GLN 50 -3.453 -12.235 -0.204 78 1HB GLN 50 2HB GLN 50 -3.969 -10.276 -1.571 79 2HB GLN 50 3HB GLN 50 -2.537 -10.522 -2.552 80 1HG GLN 50 2HG GLN 50 -3.757 -12.983 -2.810 81 2HG GLN 50 3HG GLN 50 -5.158 -11.946 -2.632 82 1HE2 GLN 50 1HE2 GLN 50 -2.065 -12.213 -4.353 83 2HE2 GLN 50 2HE2 GLN 50 -2.580 -11.515 -5.852 84 H ASN 51 H ASN 51 -0.173 -11.759 -1.540 85 HA ASN 51 HA ASN 51 -0.197 -14.191 -2.971 86 1HB ASN 51 2HB ASN 51 1.813 -12.067 -2.258 87 2HB ASN 51 3HB ASN 51 2.470 -13.644 -2.650 88 1HD2 ASN 51 1HD2 ASN 51 2.053 -10.814 -3.944 89 2HD2 ASN 51 2HD2 ASN 51 1.638 -11.174 -5.586 90 H ARG 52 H ARG 52 0.753 -13.033 0.284 91 HA ARG 52 HA ARG 52 1.909 -15.607 0.882 92 1HB ARG 52 2HB ARG 52 2.262 -12.882 1.846 93 2HB ARG 52 3HB ARG 52 1.865 -13.916 3.204 94 1HG ARG 52 2HG ARG 52 3.879 -15.005 1.267 95 2HG ARG 52 3HG ARG 52 4.398 -13.633 2.225 96 1HD ARG 52 2HD ARG 52 3.658 -14.870 4.313 97 2HD ARG 52 3HD ARG 52 3.275 -16.259 3.315 98 HE ARG 52 HE ARG 52 5.958 -15.313 4.045 99 1HH1 ARG 52 2HH2 ARG 52 4.086 -17.274 1.801 100 2HH1 ARG 52 1HH2 ARG 52 5.434 -18.259 1.339 101 1HH2 ARG 52 2HH1 ARG 52 7.735 -16.612 3.436 102 2HH2 ARG 52 1HH1 ARG 52 7.523 -17.881 2.275 103 H ARG 53 H ARG 53 -1.124 -14.726 0.535 104 HA ARG 53 HA ARG 53 -2.158 -15.184 3.136 105 1HB ARG 53 2HB ARG 53 -3.125 -13.943 0.872 106 2HB ARG 53 3HB ARG 53 -3.960 -15.481 0.763 107 1HG ARG 53 2HG ARG 53 -4.256 -14.839 3.463 108 2HG ARG 53 3HG ARG 53 -4.338 -13.265 2.696 109 1HD ARG 53 2HD ARG 53 -5.909 -15.048 1.082 110 2HD ARG 53 3HD ARG 53 -6.351 -15.357 2.749 111 HE ARG 53 HE ARG 53 -6.837 -12.890 1.241 112 1HH1 ARG 53 2HH2 ARG 53 -6.546 -14.302 4.451 113 2HH1 ARG 53 1HH2 ARG 53 -7.474 -13.059 5.222 114 1HH2 ARG 53 2HH1 ARG 53 -8.064 -11.251 2.258 115 2HH2 ARG 53 1HH1 ARG 53 -8.344 -11.313 3.965 116 H MET 54 H MET 54 -0.585 -17.339 2.803 117 HA MET 54 HA MET 54 -0.420 -19.503 2.410 118 1HB MET 54 2HB MET 54 -2.074 -19.034 4.456 119 2HB MET 54 3HB MET 54 -3.294 -19.717 3.399 120 1HG MET 54 2HG MET 54 -1.691 -21.734 3.090 121 2HG MET 54 3HG MET 54 -0.763 -21.075 4.423 122 1HE MET 54 1HE MET 54 -1.140 -23.435 4.941 123 2HE MET 54 2HE MET 54 -1.586 -23.151 6.640 124 3HE MET 54 3HE MET 54 -2.619 -24.168 5.606 125 H LYS 55 H LYS 55 -0.764 -18.690 -0.053 126 HA LYS 55 HA LYS 55 -1.657 -19.027 -2.058 127 1HB LYS 55 2HB LYS 55 -0.807 -21.379 -1.068 128 2HB LYS 55 3HB LYS 55 -2.488 -21.797 -1.332 129 1HG LYS 55 2HG LYS 55 -1.800 -22.234 -3.474 130 2HG LYS 55 3HG LYS 55 -1.961 -20.502 -3.689 131 1HD LYS 55 2HD LYS 55 0.572 -20.630 -2.622 132 2HD LYS 55 3HD LYS 55 0.511 -22.165 -3.466 133 1HE LYS 55 2HE LYS 55 -0.591 -19.948 -5.082 134 2HE LYS 55 3HE LYS 55 1.077 -19.673 -4.621 135 1HZ LYS 55 1HZ LYS 55 1.681 -21.744 -5.561 136 2HZ LYS 55 2HZ LYS 55 0.128 -22.174 -5.832 137 3HZ LYS 55 3HZ LYS 55 0.797 -20.949 -6.679 138 H TRP 56 H TRP 56 -3.401 -17.623 -0.389 139 HA TRP 56 HA TRP 56 -5.509 -16.952 -0.306 140 1HB TRP 56 2HB TRP 56 -5.678 -18.765 -2.693 141 2HB TRP 56 3HB TRP 56 -7.124 -18.021 -2.039 142 HD1 TRP 56 HD1 TRP 56 -3.582 -16.578 -2.926 143 HE1 TRP 56 HE1 TRP 56 -3.826 -14.327 -4.280 144 HE3 TRP 56 HE3 TRP 56 -8.667 -16.530 -2.947 145 HZ2 TRP 56 HZ2 TRP 56 -6.068 -12.812 -5.187 146 HZ3 TRP 56 HZ3 TRP 56 -9.805 -14.629 -4.088 147 HH2 TRP 56 HH2 TRP 56 -8.590 -12.812 -5.183 148 H LYS 57 H LYS 57 -4.472 -19.050 1.426 149 HA LYS 57 HA LYS 57 -5.093 -20.750 2.730 150 1HB LYS 57 2HB LYS 57 -6.852 -18.533 3.006 151 2HB LYS 57 3HB LYS 57 -7.821 -19.980 3.196 152 1HG LYS 57 2HG LYS 57 -7.056 -19.851 5.366 153 2HG LYS 57 3HG LYS 57 -5.696 -20.734 4.701 154 1HD LYS 57 2HD LYS 57 -4.345 -19.035 5.354 155 2HD LYS 57 3HD LYS 57 -5.112 -18.017 4.153 156 1HE LYS 57 2HE LYS 57 -6.952 -17.553 5.904 157 2HE LYS 57 3HE LYS 57 -5.917 -18.343 7.077 158 1HZ LYS 57 1HZ LYS 57 -4.780 -16.240 5.425 159 2HZ LYS 57 2HZ LYS 57 -5.750 -15.815 6.669 160 3HZ LYS 57 3HZ LYS 57 -4.395 -16.681 6.950 161 H LYS 58 H LYS 58 -4.900 -22.144 0.687 162 HA LYS 58 HA LYS 58 -7.139 -23.875 0.644 163 1HB LYS 58 2HB LYS 58 -7.076 -21.753 -1.341 164 2HB LYS 58 3HB LYS 58 -6.985 -23.326 -2.106 165 1HG LYS 58 2HG LYS 58 -9.096 -23.961 -1.395 166 2HG LYS 58 3HG LYS 58 -8.967 -23.095 0.124 167 1HD LYS 58 2HD LYS 58 -9.329 -20.936 -1.033 168 2HD LYS 58 3HD LYS 58 -9.345 -21.741 -2.589 169 1HE LYS 58 2HE LYS 58 -11.653 -21.420 -2.001 170 2HE LYS 58 3HE LYS 58 -11.334 -23.125 -1.747 171 1HZ LYS 58 1HZ LYS 58 -11.754 -22.888 0.391 172 2HZ LYS 58 2HZ LYS 58 -10.745 -21.615 0.563 173 3HZ LYS 58 3HZ LYS 58 -12.291 -21.375 0.092 Start of MODEL 6 1 H ARG 43 H ARG 43 2.881 0.611 0.041 2 HA ARG 43 HA ARG 43 0.572 0.516 -1.596 3 1HB ARG 43 2HB ARG 43 3.520 0.916 -1.969 4 2HB ARG 43 3HB ARG 43 2.672 0.259 -3.355 5 1HG ARG 43 2HG ARG 43 1.382 2.595 -1.971 6 2HG ARG 43 3HG ARG 43 2.852 2.928 -2.865 7 1HD ARG 43 2HD ARG 43 1.702 2.868 -4.820 8 2HD ARG 43 3HD ARG 43 1.224 1.212 -4.511 9 HE ARG 43 HE ARG 43 -0.478 2.728 -2.898 10 1HH1 ARG 43 2HH2 ARG 43 0.270 2.620 -6.335 11 2HH1 ARG 43 1HH2 ARG 43 -1.302 3.157 -6.824 12 1HH2 ARG 43 2HH1 ARG 43 -2.553 3.435 -3.543 13 2HH2 ARG 43 1HH1 ARG 43 -2.919 3.623 -5.225 14 H GLN 44 H GLN 44 3.559 -1.545 -1.242 15 HA GLN 44 HA GLN 44 2.080 -3.686 -2.531 16 1HB GLN 44 2HB GLN 44 4.925 -2.880 -2.401 17 2HB GLN 44 3HB GLN 44 4.685 -4.601 -2.178 18 1HG GLN 44 2HG GLN 44 3.072 -4.377 -4.274 19 2HG GLN 44 3HG GLN 44 3.939 -2.882 -4.560 20 1HE2 GLN 44 1HE2 GLN 44 6.238 -2.935 -4.795 21 2HE2 GLN 44 2HE2 GLN 44 7.040 -4.338 -5.421 22 H ILE 45 H ILE 45 1.411 -2.909 0.184 23 HA ILE 45 HA ILE 45 2.492 -5.197 1.674 24 HB ILE 45 HB ILE 45 1.618 -2.454 2.499 25 1HG1 ILE 45 2HG1 ILE 45 3.922 -3.859 3.729 26 2HG1 ILE 45 3HG1 ILE 45 4.075 -3.503 2.020 27 1HG2 ILE 45 1HG2 ILE 45 1.829 -4.825 4.372 28 2HG2 ILE 45 2HG2 ILE 45 1.512 -3.133 4.819 29 3HG2 ILE 45 3HG2 ILE 45 0.313 -4.042 3.867 30 1HD1 ILE 45 1HD1 ILE 45 3.418 -1.105 2.515 31 2HD1 ILE 45 2HD1 ILE 45 3.465 -1.510 4.247 32 3HD1 ILE 45 3HD1 ILE 45 4.950 -1.607 3.269 33 H LYS 46 H LYS 46 -0.311 -3.680 0.223 34 HA LYS 46 HA LYS 46 -2.130 -5.358 1.742 35 1HB LYS 46 2HB LYS 46 -3.877 -4.077 0.760 36 2HB LYS 46 3HB LYS 46 -2.629 -2.952 1.256 37 1HG LYS 46 2HG LYS 46 -1.759 -3.398 -1.269 38 2HG LYS 46 3HG LYS 46 -3.452 -3.777 -1.520 39 1HD LYS 46 2HD LYS 46 -4.001 -1.534 -0.374 40 2HD LYS 46 3HD LYS 46 -2.290 -1.164 -0.459 41 1HE LYS 46 2HE LYS 46 -2.372 -1.511 -2.961 42 2HE LYS 46 3HE LYS 46 -4.099 -1.790 -2.843 43 1HZ LYS 46 1HZ LYS 46 -4.390 0.376 -2.849 44 2HZ LYS 46 2HZ LYS 46 -3.490 0.565 -1.500 45 3HZ LYS 46 3HZ LYS 46 -2.783 0.634 -2.970 46 H ILE 47 H ILE 47 -0.269 -5.365 -1.198 47 HA ILE 47 HA ILE 47 -2.019 -7.362 -2.399 48 HB ILE 47 HB ILE 47 -0.252 -7.136 -4.261 49 1HG1 ILE 47 2HG1 ILE 47 1.016 -5.097 -4.330 50 2HG1 ILE 47 3HG1 ILE 47 0.310 -4.526 -2.832 51 1HG2 ILE 47 1HG2 ILE 47 -1.493 -5.394 -5.274 52 2HG2 ILE 47 2HG2 ILE 47 -2.627 -6.264 -4.214 53 3HG2 ILE 47 3HG2 ILE 47 -1.951 -4.700 -3.701 54 1HD1 ILE 47 1HD1 ILE 47 1.508 -6.074 -1.510 55 2HD1 ILE 47 2HD1 ILE 47 1.791 -7.170 -2.885 56 3HD1 ILE 47 3HD1 ILE 47 2.687 -5.636 -2.770 57 H TRP 48 H TRP 48 0.499 -7.177 -0.154 58 HA TRP 48 HA TRP 48 1.797 -9.619 -1.040 59 1HB TRP 48 2HB TRP 48 2.627 -7.352 0.361 60 2HB TRP 48 3HB TRP 48 2.571 -8.617 1.572 61 HD1 TRP 48 HD1 TRP 48 4.953 -7.228 -0.802 62 HE1 TRP 48 HE1 TRP 48 6.963 -8.830 -1.400 63 HE3 TRP 48 HE3 TRP 48 2.814 -11.459 1.035 64 HZ2 TRP 48 HZ2 TRP 48 7.422 -11.624 -1.047 65 HZ3 TRP 48 HZ3 TRP 48 4.111 -13.582 0.869 66 HH2 TRP 48 HH2 TRP 48 6.338 -13.708 -0.128 67 H PHE 49 H PHE 49 -0.226 -8.301 1.662 68 HA PHE 49 HA PHE 49 -0.347 -10.585 3.193 69 1HB PHE 49 2HB PHE 49 -2.438 -8.421 2.546 70 2HB PHE 49 3HB PHE 49 -2.564 -9.502 3.920 71 HD1 PHE 49 HD1 PHE 49 -2.368 -6.383 3.768 72 HD2 PHE 49 HD2 PHE 49 0.436 -9.453 4.619 73 HE1 PHE 49 HE1 PHE 49 -1.027 -4.776 5.155 74 HE2 PHE 49 HE2 PHE 49 1.775 -7.846 6.006 75 HZ PHE 49 HZ PHE 49 1.027 -5.527 6.257 76 H GLN 50 H GLN 50 -2.210 -9.646 0.269 77 HA GLN 50 HA GLN 50 -3.935 -11.903 0.565 78 1HB GLN 50 2HB GLN 50 -5.029 -11.086 -1.435 79 2HB GLN 50 3HB GLN 50 -4.674 -9.704 -0.418 80 1HG GLN 50 2HG GLN 50 -3.643 -8.782 -2.219 81 2HG GLN 50 3HG GLN 50 -2.354 -9.941 -1.967 82 1HE2 GLN 50 1HE2 GLN 50 -2.115 -11.678 -3.281 83 2HE2 GLN 50 2HE2 GLN 50 -3.028 -11.951 -4.728 84 H ASN 51 H ASN 51 -0.759 -11.373 -0.561 85 HA ASN 51 HA ASN 51 -0.902 -13.266 -2.694 86 1HB ASN 51 2HB ASN 51 1.168 -11.466 -1.478 87 2HB ASN 51 3HB ASN 51 1.791 -12.933 -2.206 88 1HD2 ASN 51 1HD2 ASN 51 2.625 -10.761 -3.349 89 2HD2 ASN 51 2HD2 ASN 51 1.847 -10.414 -4.856 90 H ARG 52 H ARG 52 0.172 -13.020 0.730 91 HA ARG 52 HA ARG 52 1.388 -15.575 0.708 92 1HB ARG 52 2HB ARG 52 1.635 -13.382 2.319 93 2HB ARG 52 3HB ARG 52 0.523 -14.316 3.299 94 1HG ARG 52 2HG ARG 52 2.883 -15.791 2.166 95 2HG ARG 52 3HG ARG 52 3.219 -14.628 3.433 96 1HD ARG 52 2HD ARG 52 1.815 -15.765 5.014 97 2HD ARG 52 3HD ARG 52 1.004 -16.687 3.764 98 HE ARG 52 HE ARG 52 2.734 -18.254 3.848 99 1HH1 ARG 52 2HH2 ARG 52 3.876 -15.227 5.233 100 2HH1 ARG 52 1HH2 ARG 52 5.395 -15.886 5.744 101 1HH2 ARG 52 2HH1 ARG 52 4.738 -19.123 4.521 102 2HH2 ARG 52 1HH1 ARG 52 5.888 -18.116 5.335 103 H ARG 53 H ARG 53 -1.841 -14.289 1.121 104 HA ARG 53 HA ARG 53 -2.869 -16.201 2.833 105 1HB ARG 53 2HB ARG 53 -3.913 -14.144 0.962 106 2HB ARG 53 3HB ARG 53 -5.002 -15.503 1.163 107 1HG ARG 53 2HG ARG 53 -4.810 -15.228 3.674 108 2HG ARG 53 3HG ARG 53 -3.821 -13.805 3.413 109 1HD ARG 53 2HD ARG 53 -5.742 -12.809 2.056 110 2HD ARG 53 3HD ARG 53 -6.722 -14.184 2.526 111 HE ARG 53 HE ARG 53 -5.949 -11.930 4.223 112 1HH1 ARG 53 2HH2 ARG 53 -6.969 -15.298 4.217 113 2HH1 ARG 53 1HH2 ARG 53 -7.601 -15.242 5.829 114 1HH2 ARG 53 2HH1 ARG 53 -6.783 -11.856 6.350 115 2HH2 ARG 53 1HH1 ARG 53 -7.494 -13.272 7.050 116 H MET 54 H MET 54 -1.874 -16.337 -0.514 117 HA MET 54 HA MET 54 -3.623 -18.389 -1.319 118 1HB MET 54 2HB MET 54 -2.298 -16.753 -2.802 119 2HB MET 54 3HB MET 54 -0.851 -17.664 -2.415 120 1HG MET 54 2HG MET 54 -2.418 -19.732 -3.223 121 2HG MET 54 3HG MET 54 -3.188 -18.451 -4.139 122 1HE MET 54 1HE MET 54 -0.753 -16.861 -6.222 123 2HE MET 54 2HE MET 54 -1.792 -18.113 -6.946 124 3HE MET 54 3HE MET 54 -2.412 -17.100 -5.621 125 H LYS 55 H LYS 55 -0.690 -18.278 0.588 126 HA LYS 55 HA LYS 55 0.008 -21.021 0.049 127 1HB LYS 55 2HB LYS 55 1.666 -19.165 0.486 128 2HB LYS 55 3HB LYS 55 1.127 -19.153 2.153 129 1HG LYS 55 2HG LYS 55 2.477 -20.911 2.619 130 2HG LYS 55 3HG LYS 55 1.616 -21.896 1.454 131 1HD LYS 55 2HD LYS 55 3.584 -21.953 0.302 132 2HD LYS 55 3HD LYS 55 3.178 -20.329 -0.214 133 1HE LYS 55 2HE LYS 55 4.899 -19.441 0.976 134 2HE LYS 55 3HE LYS 55 4.368 -20.235 2.446 135 1HZ LYS 55 1HZ LYS 55 5.913 -21.560 0.326 136 2HZ LYS 55 2HZ LYS 55 6.557 -20.951 1.698 137 3HZ LYS 55 3HZ LYS 55 5.509 -22.201 1.773 138 H TRP 56 H TRP 56 -1.823 -19.106 2.426 139 HA TRP 56 HA TRP 56 -1.922 -20.808 4.549 140 1HB TRP 56 2HB TRP 56 -3.445 -18.598 3.532 141 2HB TRP 56 3HB TRP 56 -4.542 -19.808 4.168 142 HD1 TRP 56 HD1 TRP 56 -1.136 -19.451 5.891 143 HE1 TRP 56 HE1 TRP 56 -1.376 -18.431 8.312 144 HE3 TRP 56 HE3 TRP 56 -6.057 -18.245 5.463 145 HZ2 TRP 56 HZ2 TRP 56 -3.549 -17.260 9.745 146 HZ3 TRP 56 HZ3 TRP 56 -7.162 -17.167 7.420 147 HH2 TRP 56 HH2 TRP 56 -5.990 -16.673 9.506 148 H LYS 57 H LYS 57 -4.154 -20.761 1.670 149 HA LYS 57 HA LYS 57 -5.358 -23.219 2.418 150 1HB LYS 57 2HB LYS 57 -6.555 -23.016 0.321 151 2HB LYS 57 3HB LYS 57 -6.534 -21.473 1.150 152 1HG LYS 57 2HG LYS 57 -4.309 -21.104 -0.316 153 2HG LYS 57 3HG LYS 57 -5.054 -22.311 -1.344 154 1HD LYS 57 2HD LYS 57 -6.772 -20.019 -0.394 155 2HD LYS 57 3HD LYS 57 -5.580 -19.687 -1.635 156 1HE LYS 57 2HE LYS 57 -6.649 -21.008 -3.227 157 2HE LYS 57 3HE LYS 57 -7.268 -22.137 -2.039 158 1HZ LYS 57 1HZ LYS 57 -8.534 -19.891 -1.379 159 2HZ LYS 57 2HZ LYS 57 -8.431 -19.712 -3.000 160 3HZ LYS 57 3HZ LYS 57 -9.152 -21.035 -2.368 161 H LYS 58 H LYS 58 -2.566 -22.236 0.449 162 HA LYS 58 HA LYS 58 -0.981 -23.399 -0.552 163 1HB LYS 58 2HB LYS 58 -1.551 -24.802 1.808 164 2HB LYS 58 3HB LYS 58 -1.460 -26.040 0.571 165 1HG LYS 58 2HG LYS 58 0.763 -25.345 -0.099 166 2HG LYS 58 3HG LYS 58 0.655 -23.860 0.823 167 1HD LYS 58 2HD LYS 58 1.854 -25.093 2.361 168 2HD LYS 58 3HD LYS 58 0.249 -25.593 2.858 169 1HE LYS 58 2HE LYS 58 1.756 -27.128 0.708 170 2HE LYS 58 3HE LYS 58 2.051 -27.444 2.406 171 1HZ LYS 58 1HZ LYS 58 -0.414 -27.720 2.589 172 2HZ LYS 58 2HZ LYS 58 -0.476 -27.734 0.957 173 3HZ LYS 58 3HZ LYS 58 0.366 -28.885 1.752 Start of MODEL 7 1 H ARG 43 H ARG 43 1.211 1.366 -1.835 2 HA ARG 43 HA ARG 43 2.237 0.859 0.729 3 1HB ARG 43 2HB ARG 43 -0.297 0.442 -0.750 4 2HB ARG 43 3HB ARG 43 0.029 -0.845 0.394 5 1HG ARG 43 2HG ARG 43 0.663 1.356 1.926 6 2HG ARG 43 3HG ARG 43 -0.587 2.033 0.899 7 1HD ARG 43 2HD ARG 43 -1.840 -0.280 1.539 8 2HD ARG 43 3HD ARG 43 -0.792 -0.176 2.940 9 HE ARG 43 HE ARG 43 -1.821 2.361 2.839 10 1HH1 ARG 43 2HH2 ARG 43 -3.351 -0.804 2.682 11 2HH1 ARG 43 1HH2 ARG 43 -4.834 -0.263 3.396 12 1HH2 ARG 43 2HH1 ARG 43 -3.777 3.074 3.781 13 2HH2 ARG 43 1HH1 ARG 43 -5.078 1.957 4.024 14 H GLN 44 H GLN 44 1.149 -1.380 -1.941 15 HA GLN 44 HA GLN 44 1.680 -3.434 -2.424 16 1HB GLN 44 2HB GLN 44 4.215 -2.013 -2.042 17 2HB GLN 44 3HB GLN 44 4.406 -3.733 -1.760 18 1HG GLN 44 2HG GLN 44 4.001 -4.283 -3.959 19 2HG GLN 44 3HG GLN 44 2.756 -3.063 -4.147 20 1HE2 GLN 44 1HE2 GLN 44 6.029 -3.900 -4.596 21 2HE2 GLN 44 2HE2 GLN 44 6.608 -2.422 -5.288 22 H ILE 45 H ILE 45 0.930 -2.721 0.469 23 HA ILE 45 HA ILE 45 2.123 -5.068 1.766 24 HB ILE 45 HB ILE 45 2.035 -2.469 2.621 25 1HG1 ILE 45 2HG1 ILE 45 2.796 -3.357 4.762 26 2HG1 ILE 45 3HG1 ILE 45 2.164 -4.944 4.367 27 1HG2 ILE 45 1HG2 ILE 45 -0.184 -3.950 4.057 28 2HG2 ILE 45 2HG2 ILE 45 0.474 -2.354 4.486 29 3HG2 ILE 45 3HG2 ILE 45 -0.395 -2.573 2.949 30 1HD1 ILE 45 1HD1 ILE 45 4.088 -5.454 3.295 31 2HD1 ILE 45 2HD1 ILE 45 3.828 -4.098 2.172 32 3HD1 ILE 45 3HD1 ILE 45 4.725 -3.839 3.687 33 H LYS 46 H LYS 46 -0.668 -3.834 0.201 34 HA LYS 46 HA LYS 46 -2.417 -5.639 1.694 35 1HB LYS 46 2HB LYS 46 -4.246 -4.450 0.537 36 2HB LYS 46 3HB LYS 46 -3.243 -3.382 1.498 37 1HG LYS 46 2HG LYS 46 -2.601 -2.181 -0.326 38 2HG LYS 46 3HG LYS 46 -2.187 -3.625 -1.227 39 1HD LYS 46 2HD LYS 46 -4.158 -3.606 -2.375 40 2HD LYS 46 3HD LYS 46 -5.100 -3.352 -0.920 41 1HE LYS 46 2HE LYS 46 -5.482 -1.245 -1.696 42 2HE LYS 46 3HE LYS 46 -3.829 -0.886 -1.236 43 1HZ LYS 46 1HZ LYS 46 -3.415 -0.584 -3.360 44 2HZ LYS 46 2HZ LYS 46 -3.711 -2.160 -3.668 45 3HZ LYS 46 3HZ LYS 46 -4.913 -1.063 -3.801 46 H ILE 47 H ILE 47 -0.450 -5.442 -1.120 47 HA ILE 47 HA ILE 47 -2.083 -7.451 -2.486 48 HB ILE 47 HB ILE 47 -0.342 -6.959 -4.331 49 1HG1 ILE 47 2HG1 ILE 47 0.667 -4.758 -4.282 50 2HG1 ILE 47 3HG1 ILE 47 -0.041 -4.412 -2.717 51 1HG2 ILE 47 1HG2 ILE 47 -2.211 -4.677 -3.732 52 2HG2 ILE 47 2HG2 ILE 47 -1.798 -5.421 -5.295 53 3HG2 ILE 47 3HG2 ILE 47 -2.829 -6.296 -4.137 54 1HD1 ILE 47 1HD1 ILE 47 1.410 -5.850 -1.575 55 2HD1 ILE 47 2HD1 ILE 47 1.670 -6.883 -3.001 56 3HD1 ILE 47 3HD1 ILE 47 2.461 -5.292 -2.898 57 H TRP 48 H TRP 48 0.556 -7.086 -0.339 58 HA TRP 48 HA TRP 48 1.934 -9.446 -1.328 59 1HB TRP 48 2HB TRP 48 2.756 -7.122 -0.047 60 2HB TRP 48 3HB TRP 48 2.840 -8.340 1.211 61 HD1 TRP 48 HD1 TRP 48 4.899 -6.998 -1.536 62 HE1 TRP 48 HE1 TRP 48 6.971 -8.513 -2.151 63 HE3 TRP 48 HE3 TRP 48 3.306 -11.113 0.990 64 HZ2 TRP 48 HZ2 TRP 48 7.694 -11.202 -1.527 65 HZ3 TRP 48 HZ3 TRP 48 4.753 -13.142 0.936 66 HH2 TRP 48 HH2 TRP 48 6.880 -13.229 -0.266 67 H PHE 49 H PHE 49 -0.131 -8.252 1.367 68 HA PHE 49 HA PHE 49 0.077 -10.487 3.002 69 1HB PHE 49 2HB PHE 49 -2.152 -8.455 2.405 70 2HB PHE 49 3HB PHE 49 -2.255 -9.581 3.743 71 HD1 PHE 49 HD1 PHE 49 -2.553 -7.063 4.693 72 HD2 PHE 49 HD2 PHE 49 1.109 -8.833 3.484 73 HE1 PHE 49 HE1 PHE 49 -1.294 -5.451 6.147 74 HE2 PHE 49 HE2 PHE 49 2.369 -7.221 4.938 75 HZ PHE 49 HZ PHE 49 1.153 -5.549 6.252 76 H GLN 50 H GLN 50 -1.913 -9.830 0.102 77 HA GLN 50 HA GLN 50 -3.607 -12.044 0.536 78 1HB GLN 50 2HB GLN 50 -4.545 -10.344 -0.802 79 2HB GLN 50 3HB GLN 50 -3.087 -10.139 -1.752 80 1HG GLN 50 2HG GLN 50 -4.323 -12.856 -1.899 81 2HG GLN 50 3HG GLN 50 -5.285 -11.564 -2.589 82 1HE2 GLN 50 1HE2 GLN 50 -3.526 -9.844 -3.628 83 2HE2 GLN 50 2HE2 GLN 50 -2.575 -10.558 -4.887 84 H ASN 51 H ASN 51 -0.506 -11.466 -1.131 85 HA ASN 51 HA ASN 51 -0.492 -13.713 -2.717 86 1HB ASN 51 2HB ASN 51 1.548 -11.847 -1.557 87 2HB ASN 51 3HB ASN 51 2.174 -13.406 -2.054 88 1HD2 ASN 51 1HD2 ASN 51 -0.055 -10.864 -3.174 89 2HD2 ASN 51 2HD2 ASN 51 0.419 -10.872 -4.839 90 H ARG 52 H ARG 52 0.375 -13.133 0.729 91 HA ARG 52 HA ARG 52 1.433 -15.752 1.038 92 1HB ARG 52 2HB ARG 52 0.716 -13.581 3.074 93 2HB ARG 52 3HB ARG 52 1.522 -15.079 3.494 94 1HG ARG 52 2HG ARG 52 2.819 -13.683 1.230 95 2HG ARG 52 3HG ARG 52 2.780 -12.712 2.688 96 1HD ARG 52 2HD ARG 52 4.674 -13.884 3.244 97 2HD ARG 52 3HD ARG 52 3.547 -15.126 3.752 98 HE ARG 52 HE ARG 52 4.120 -15.336 0.914 99 1HH1 ARG 52 2HH2 ARG 52 5.415 -16.074 4.101 100 2HH1 ARG 52 1HH2 ARG 52 6.392 -17.389 3.540 101 1HH2 ARG 52 2HH1 ARG 52 5.408 -17.071 0.173 102 2HH2 ARG 52 1HH1 ARG 52 6.389 -17.961 1.290 103 H ARG 53 H ARG 53 -1.692 -14.182 1.201 104 HA ARG 53 HA ARG 53 -2.843 -15.963 3.048 105 1HB ARG 53 2HB ARG 53 -3.582 -13.548 1.880 106 2HB ARG 53 3HB ARG 53 -4.654 -14.669 1.068 107 1HG ARG 53 2HG ARG 53 -5.789 -15.236 3.021 108 2HG ARG 53 3HG ARG 53 -4.383 -14.996 4.041 109 1HD ARG 53 2HD ARG 53 -5.021 -12.868 4.524 110 2HD ARG 53 3HD ARG 53 -5.110 -12.456 2.824 111 HE ARG 53 HE ARG 53 -7.433 -12.855 2.847 112 1HH1 ARG 53 2HH2 ARG 53 -5.977 -14.046 5.822 113 2HH1 ARG 53 1HH2 ARG 53 -7.496 -14.320 6.606 114 1HH2 ARG 53 2HH1 ARG 53 -9.437 -13.216 3.883 115 2HH2 ARG 53 1HH1 ARG 53 -9.478 -13.845 5.496 116 H MET 54 H MET 54 -1.915 -16.181 -0.274 117 HA MET 54 HA MET 54 -3.971 -18.037 -0.988 118 1HB MET 54 2HB MET 54 -2.042 -16.369 -2.320 119 2HB MET 54 3HB MET 54 -1.644 -18.017 -2.768 120 1HG MET 54 2HG MET 54 -3.233 -17.389 -4.410 121 2HG MET 54 3HG MET 54 -4.195 -18.304 -3.266 122 1HE MET 54 1HE MET 54 -6.046 -15.010 -4.804 123 2HE MET 54 2HE MET 54 -4.955 -16.248 -5.469 124 3HE MET 54 3HE MET 54 -6.398 -16.735 -4.550 125 H LYS 55 H LYS 55 -0.851 -18.110 0.556 126 HA LYS 55 HA LYS 55 0.022 -20.633 -0.296 127 1HB LYS 55 2HB LYS 55 0.714 -18.669 1.801 128 2HB LYS 55 3HB LYS 55 1.095 -20.330 2.206 129 1HG LYS 55 2HG LYS 55 1.818 -19.358 -0.556 130 2HG LYS 55 3HG LYS 55 2.790 -18.792 0.788 131 1HD LYS 55 2HD LYS 55 2.325 -21.661 1.049 132 2HD LYS 55 3HD LYS 55 2.968 -21.309 -0.544 133 1HE LYS 55 2HE LYS 55 5.019 -21.251 0.443 134 2HE LYS 55 3HE LYS 55 4.547 -19.697 1.103 135 1HZ LYS 55 1HZ LYS 55 3.725 -22.115 2.495 136 2HZ LYS 55 2HZ LYS 55 5.266 -21.598 2.655 137 3HZ LYS 55 3HZ LYS 55 4.030 -20.628 3.099 138 H TRP 56 H TRP 56 -2.029 -19.551 2.474 139 HA TRP 56 HA TRP 56 -2.274 -21.922 3.803 140 1HB TRP 56 2HB TRP 56 -3.946 -19.499 3.463 141 2HB TRP 56 3HB TRP 56 -4.765 -20.922 4.077 142 HD1 TRP 56 HD1 TRP 56 -1.106 -20.082 5.052 143 HE1 TRP 56 HE1 TRP 56 -0.904 -19.612 7.642 144 HE3 TRP 56 HE3 TRP 56 -6.098 -20.242 6.004 145 HZ2 TRP 56 HZ2 TRP 56 -2.812 -19.367 9.749 146 HZ3 TRP 56 HZ3 TRP 56 -6.846 -19.879 8.354 147 HH2 TRP 56 HH2 TRP 56 -5.293 -19.453 10.194 148 H LYS 57 H LYS 57 -4.203 -20.688 0.982 149 HA LYS 57 HA LYS 57 -4.910 -23.486 0.439 150 1HB LYS 57 2HB LYS 57 -7.112 -22.775 -0.287 151 2HB LYS 57 3HB LYS 57 -6.843 -22.300 1.378 152 1HG LYS 57 2HG LYS 57 -7.335 -20.163 0.806 153 2HG LYS 57 3HG LYS 57 -5.879 -20.121 -0.169 154 1HD LYS 57 2HD LYS 57 -7.246 -21.213 -2.056 155 2HD LYS 57 3HD LYS 57 -8.674 -20.938 -1.079 156 1HE LYS 57 2HE LYS 57 -8.536 -19.045 -2.544 157 2HE LYS 57 3HE LYS 57 -8.003 -18.459 -0.981 158 1HZ LYS 57 1HZ LYS 57 -5.715 -18.896 -1.739 159 2HZ LYS 57 2HZ LYS 57 -6.286 -19.252 -3.227 160 3HZ LYS 57 3HZ LYS 57 -6.478 -17.749 -2.616 161 H LYS 58 H LYS 58 -3.569 -24.016 -1.225 162 HA LYS 58 HA LYS 58 -2.862 -22.027 -3.173 163 1HB LYS 58 2HB LYS 58 -1.436 -23.756 -4.093 164 2HB LYS 58 3HB LYS 58 -1.229 -23.673 -2.355 165 1HG LYS 58 2HG LYS 58 -3.379 -25.539 -3.070 166 2HG LYS 58 3HG LYS 58 -1.883 -25.966 -3.876 167 1HD LYS 58 2HD LYS 58 -0.698 -25.808 -1.632 168 2HD LYS 58 3HD LYS 58 -2.256 -25.542 -0.874 169 1HE LYS 58 2HE LYS 58 -2.967 -27.767 -2.113 170 2HE LYS 58 3HE LYS 58 -1.244 -28.039 -2.272 171 1HZ LYS 58 1HZ LYS 58 -1.517 -27.324 0.301 172 2HZ LYS 58 2HZ LYS 58 -2.877 -28.192 0.048 173 3HZ LYS 58 3HZ LYS 58 -1.415 -28.861 -0.240 Start of MODEL 8 1 H ARG 43 H ARG 43 3.568 1.555 -0.568 2 HA ARG 43 HA ARG 43 1.246 -0.110 -0.311 3 1HB ARG 43 2HB ARG 43 1.402 -0.291 -2.789 4 2HB ARG 43 3HB ARG 43 1.470 1.385 -2.282 5 1HG ARG 43 2HG ARG 43 4.141 0.114 -2.392 6 2HG ARG 43 3HG ARG 43 3.321 0.102 -3.942 7 1HD ARG 43 2HD ARG 43 2.841 2.698 -2.910 8 2HD ARG 43 3HD ARG 43 4.511 2.363 -2.492 9 HE ARG 43 HE ARG 43 4.445 1.552 -5.101 10 1HH1 ARG 43 2HH2 ARG 43 3.296 4.490 -3.541 11 2HH1 ARG 43 1HH2 ARG 43 3.534 5.480 -4.942 12 1HH2 ARG 43 2HH1 ARG 43 4.759 2.857 -6.951 13 2HH2 ARG 43 1HH1 ARG 43 4.371 4.545 -6.895 14 H GLN 44 H GLN 44 1.730 -2.134 -2.209 15 HA GLN 44 HA GLN 44 2.616 -4.098 -2.476 16 1HB GLN 44 2HB GLN 44 4.827 -2.405 -2.427 17 2HB GLN 44 3HB GLN 44 5.269 -3.631 -1.255 18 1HG GLN 44 2HG GLN 44 5.205 -5.375 -2.839 19 2HG GLN 44 3HG GLN 44 4.095 -4.523 -3.894 20 1HE2 GLN 44 1HE2 GLN 44 6.041 -5.562 -5.191 21 2HE2 GLN 44 2HE2 GLN 44 7.286 -4.447 -5.647 22 H ILE 45 H ILE 45 1.654 -2.935 0.316 23 HA ILE 45 HA ILE 45 2.714 -5.137 1.938 24 HB ILE 45 HB ILE 45 1.733 -2.384 2.577 25 1HG1 ILE 45 2HG1 ILE 45 3.993 -3.703 3.989 26 2HG1 ILE 45 3HG1 ILE 45 4.227 -3.382 2.283 27 1HG2 ILE 45 1HG2 ILE 45 1.940 -3.318 5.050 28 2HG2 ILE 45 2HG2 ILE 45 0.404 -3.362 4.151 29 3HG2 ILE 45 3HG2 ILE 45 1.412 -4.825 4.262 30 1HD1 ILE 45 1HD1 ILE 45 4.196 -1.087 2.557 31 2HD1 ILE 45 2HD1 ILE 45 3.020 -1.159 3.892 32 3HD1 ILE 45 3HD1 ILE 45 4.735 -1.534 4.194 33 H LYS 46 H LYS 46 -0.042 -3.888 0.222 34 HA LYS 46 HA LYS 46 -1.831 -5.629 1.745 35 1HB LYS 46 2HB LYS 46 -2.565 -3.587 -0.367 36 2HB LYS 46 3HB LYS 46 -3.639 -4.393 0.758 37 1HG LYS 46 2HG LYS 46 -1.424 -3.046 2.153 38 2HG LYS 46 3HG LYS 46 -2.337 -1.926 1.162 39 1HD LYS 46 2HD LYS 46 -4.367 -3.411 2.349 40 2HD LYS 46 3HD LYS 46 -3.161 -3.376 3.621 41 1HE LYS 46 2HE LYS 46 -3.407 -1.115 3.979 42 2HE LYS 46 3HE LYS 46 -3.561 -0.754 2.270 43 1HZ LYS 46 1HZ LYS 46 -5.815 -1.679 2.392 44 2HZ LYS 46 2HZ LYS 46 -5.658 -1.852 4.008 45 3HZ LYS 46 3HZ LYS 46 -5.620 -0.363 3.339 46 H ILE 47 H ILE 47 0.029 -5.378 -1.190 47 HA ILE 47 HA ILE 47 -1.636 -7.268 -2.605 48 HB ILE 47 HB ILE 47 -0.577 -6.591 -4.442 49 1HG1 ILE 47 2HG1 ILE 47 1.452 -7.818 -4.028 50 2HG1 ILE 47 3HG1 ILE 47 1.862 -6.228 -4.638 51 1HG2 ILE 47 1HG2 ILE 47 0.017 -4.324 -4.422 52 2HG2 ILE 47 2HG2 ILE 47 -1.092 -4.511 -3.043 53 3HG2 ILE 47 3HG2 ILE 47 0.663 -4.411 -2.766 54 1HD1 ILE 47 1HD1 ILE 47 3.247 -6.064 -2.841 55 2HD1 ILE 47 2HD1 ILE 47 1.772 -5.809 -1.878 56 3HD1 ILE 47 3HD1 ILE 47 2.470 -7.440 -2.022 57 H TRP 48 H TRP 48 0.700 -7.364 -0.140 58 HA TRP 48 HA TRP 48 1.818 -9.901 -1.029 59 1HB TRP 48 2HB TRP 48 2.820 -7.740 0.425 60 2HB TRP 48 3HB TRP 48 2.590 -9.000 1.622 61 HD1 TRP 48 HD1 TRP 48 5.126 -7.874 -0.790 62 HE1 TRP 48 HE1 TRP 48 7.007 -9.660 -1.277 63 HE3 TRP 48 HE3 TRP 48 2.651 -11.814 1.261 64 HZ2 TRP 48 HZ2 TRP 48 7.244 -12.457 -0.761 65 HZ3 TRP 48 HZ3 TRP 48 3.777 -14.037 1.229 66 HH2 TRP 48 HH2 TRP 48 5.994 -14.393 0.263 67 H PHE 49 H PHE 49 -0.342 -8.402 1.428 68 HA PHE 49 HA PHE 49 -0.693 -10.664 3.010 69 1HB PHE 49 2HB PHE 49 -2.484 -8.283 2.247 70 2HB PHE 49 3HB PHE 49 -2.886 -9.381 3.552 71 HD1 PHE 49 HD1 PHE 49 -2.846 -6.802 4.454 72 HD2 PHE 49 HD2 PHE 49 0.545 -9.228 3.665 73 HE1 PHE 49 HE1 PHE 49 -1.484 -5.415 6.041 74 HE2 PHE 49 HE2 PHE 49 1.906 -7.841 5.254 75 HZ PHE 49 HZ PHE 49 0.876 -5.951 6.422 76 H GLN 50 H GLN 50 -2.061 -9.720 -0.129 77 HA GLN 50 HA GLN 50 -4.192 -11.594 0.063 78 1HB GLN 50 2HB GLN 50 -4.874 -10.780 -2.041 79 2HB GLN 50 3HB GLN 50 -4.104 -9.386 -1.307 80 1HG GLN 50 2HG GLN 50 -1.919 -10.457 -2.505 81 2HG GLN 50 3HG GLN 50 -3.142 -11.119 -3.571 82 1HE2 GLN 50 1HE2 GLN 50 -1.274 -9.359 -4.487 83 2HE2 GLN 50 2HE2 GLN 50 -1.998 -7.842 -4.907 84 H ASN 51 H ASN 51 -0.820 -11.610 -0.909 85 HA ASN 51 HA ASN 51 -1.109 -13.907 -2.568 86 1HB ASN 51 2HB ASN 51 1.131 -12.132 -1.626 87 2HB ASN 51 3HB ASN 51 1.583 -13.768 -2.060 88 1HD2 ASN 51 1HD2 ASN 51 2.118 -11.144 -3.314 89 2HD2 ASN 51 2HD2 ASN 51 1.605 -11.268 -4.965 90 H ARG 52 H ARG 52 -0.040 -13.037 0.765 91 HA ARG 52 HA ARG 52 0.921 -15.602 1.368 92 1HB ARG 52 2HB ARG 52 1.497 -13.379 2.541 93 2HB ARG 52 3HB ARG 52 -0.057 -13.486 3.345 94 1HG ARG 52 2HG ARG 52 0.653 -15.816 4.171 95 2HG ARG 52 3HG ARG 52 2.255 -15.465 3.553 96 1HD ARG 52 2HD ARG 52 2.739 -14.324 5.453 97 2HD ARG 52 3HD ARG 52 1.460 -13.181 5.096 98 HE ARG 52 HE ARG 52 0.541 -15.716 6.287 99 1HH1 ARG 52 2HH2 ARG 52 1.566 -12.402 6.883 100 2HH1 ARG 52 1HH2 ARG 52 0.805 -12.311 8.436 101 1HH2 ARG 52 2HH1 ARG 52 -0.464 -15.595 8.336 102 2HH2 ARG 52 1HH1 ARG 52 -0.357 -14.139 9.268 103 H ARG 53 H ARG 53 -2.226 -14.346 0.924 104 HA ARG 53 HA ARG 53 -3.411 -16.060 2.904 105 1HB ARG 53 2HB ARG 53 -4.152 -13.605 1.964 106 2HB ARG 53 3HB ARG 53 -5.103 -14.607 0.887 107 1HG ARG 53 2HG ARG 53 -5.621 -15.856 3.276 108 2HG ARG 53 3HG ARG 53 -5.360 -14.219 3.842 109 1HD ARG 53 2HD ARG 53 -7.064 -14.368 1.413 110 2HD ARG 53 3HD ARG 53 -7.751 -15.195 2.797 111 HE ARG 53 HE ARG 53 -7.983 -13.130 3.917 112 1HH1 ARG 53 2HH2 ARG 53 -6.033 -12.722 1.016 113 2HH1 ARG 53 1HH2 ARG 53 -6.070 -10.992 1.081 114 1HH2 ARG 53 2HH1 ARG 53 -8.033 -10.847 4.001 115 2HH2 ARG 53 1HH1 ARG 53 -7.215 -9.919 2.790 116 H MET 54 H MET 54 -2.160 -17.815 1.391 117 HA MET 54 HA MET 54 -3.913 -19.541 0.441 118 1HB MET 54 2HB MET 54 -3.571 -17.307 -1.478 119 2HB MET 54 3HB MET 54 -3.215 -18.856 -2.217 120 1HG MET 54 2HG MET 54 -5.402 -19.675 -1.900 121 2HG MET 54 3HG MET 54 -5.713 -18.626 -0.530 122 1HE MET 54 1HE MET 54 -4.670 -16.975 -4.503 123 2HE MET 54 2HE MET 54 -4.440 -18.650 -3.949 124 3HE MET 54 3HE MET 54 -5.902 -18.208 -4.863 125 H LYS 55 H LYS 55 -0.787 -17.949 0.090 126 HA LYS 55 HA LYS 55 0.450 -20.196 -1.197 127 1HB LYS 55 2HB LYS 55 1.025 -17.478 -0.907 128 2HB LYS 55 3HB LYS 55 2.246 -18.274 0.066 129 1HG LYS 55 2HG LYS 55 2.176 -19.888 -2.202 130 2HG LYS 55 3HG LYS 55 1.865 -18.302 -2.878 131 1HD LYS 55 2HD LYS 55 3.901 -17.563 -1.324 132 2HD LYS 55 3HD LYS 55 4.297 -19.269 -1.359 133 1HE LYS 55 2HE LYS 55 5.436 -18.683 -3.273 134 2HE LYS 55 3HE LYS 55 3.864 -18.890 -4.020 135 1HZ LYS 55 1HZ LYS 55 4.574 -16.803 -4.662 136 2HZ LYS 55 2HZ LYS 55 3.528 -16.470 -3.453 137 3HZ LYS 55 3HZ LYS 55 5.137 -16.395 -3.184 138 H TRP 56 H TRP 56 -0.220 -19.068 2.085 139 HA TRP 56 HA TRP 56 1.741 -20.368 3.503 140 1HB TRP 56 2HB TRP 56 -0.946 -19.317 4.017 141 2HB TRP 56 3HB TRP 56 -0.503 -20.644 5.072 142 HD1 TRP 56 HD1 TRP 56 1.793 -17.732 3.826 143 HE1 TRP 56 HE1 TRP 56 2.877 -16.471 5.876 144 HE3 TRP 56 HE3 TRP 56 -0.622 -20.401 7.417 145 HZ2 TRP 56 HZ2 TRP 56 2.607 -16.726 8.706 146 HZ3 TRP 56 HZ3 TRP 56 -0.155 -19.832 9.799 147 HH2 TRP 56 HH2 TRP 56 1.396 -18.065 10.467 148 H LYS 57 H LYS 57 -1.562 -21.592 2.571 149 HA LYS 57 HA LYS 57 -0.911 -24.239 3.396 150 1HB LYS 57 2HB LYS 57 -3.126 -24.787 2.454 151 2HB LYS 57 3HB LYS 57 -3.181 -23.440 3.572 152 1HG LYS 57 2HG LYS 57 -3.901 -21.996 1.963 153 2HG LYS 57 3HG LYS 57 -2.674 -22.521 0.827 154 1HD LYS 57 2HD LYS 57 -4.701 -24.607 1.214 155 2HD LYS 57 3HD LYS 57 -5.445 -23.098 0.724 156 1HE LYS 57 2HE LYS 57 -4.064 -22.959 -1.272 157 2HE LYS 57 3HE LYS 57 -3.026 -24.260 -0.724 158 1HZ LYS 57 1HZ LYS 57 -4.789 -24.852 -2.367 159 2HZ LYS 57 2HZ LYS 57 -4.730 -25.799 -1.039 160 3HZ LYS 57 3HZ LYS 57 -5.892 -24.661 -1.179 161 H LYS 58 H LYS 58 -0.077 -25.925 2.232 162 HA LYS 58 HA LYS 58 1.018 -26.940 0.603 163 1HB LYS 58 2HB LYS 58 -1.195 -25.659 -1.017 164 2HB LYS 58 3HB LYS 58 -0.059 -26.809 -1.695 165 1HG LYS 58 2HG LYS 58 -1.719 -28.285 -1.023 166 2HG LYS 58 3HG LYS 58 -0.755 -28.269 0.441 167 1HD LYS 58 2HD LYS 58 -2.319 -26.183 1.062 168 2HD LYS 58 3HD LYS 58 -3.402 -26.918 -0.104 169 1HE LYS 58 2HE LYS 58 -3.825 -28.762 1.232 170 2HE LYS 58 3HE LYS 58 -2.200 -28.801 1.886 171 1HZ LYS 58 1HZ LYS 58 -4.163 -26.738 2.598 172 2HZ LYS 58 2HZ LYS 58 -3.935 -28.102 3.466 173 3HZ LYS 58 3HZ LYS 58 -2.723 -27.017 3.316 Start of MODEL 9 1 H ARG 43 H ARG 43 2.241 0.495 0.609 2 HA ARG 43 HA ARG 43 0.516 0.417 -0.772 3 1HB ARG 43 2HB ARG 43 2.601 1.216 -2.758 4 2HB ARG 43 3HB ARG 43 1.278 0.285 -3.430 5 1HG ARG 43 2HG ARG 43 0.096 2.223 -3.503 6 2HG ARG 43 3HG ARG 43 -0.035 2.108 -1.759 7 1HD ARG 43 2HD ARG 43 1.472 3.803 -1.406 8 2HD ARG 43 3HD ARG 43 2.564 3.223 -2.649 9 HE ARG 43 HE ARG 43 0.118 4.364 -3.765 10 1HH1 ARG 43 2HH2 ARG 43 3.320 5.134 -2.526 11 2HH1 ARG 43 1HH2 ARG 43 3.439 6.626 -3.399 12 1HH2 ARG 43 2HH1 ARG 43 0.274 6.331 -4.916 13 2HH2 ARG 43 1HH1 ARG 43 1.695 7.311 -4.768 14 H GLN 44 H GLN 44 3.522 -1.390 -1.211 15 HA GLN 44 HA GLN 44 2.059 -3.621 -2.338 16 1HB GLN 44 2HB GLN 44 4.961 -2.845 -2.150 17 2HB GLN 44 3HB GLN 44 4.581 -4.552 -2.258 18 1HG GLN 44 2HG GLN 44 3.497 -4.304 -4.377 19 2HG GLN 44 3HG GLN 44 3.322 -2.571 -4.188 20 1HE2 GLN 44 1HE2 GLN 44 4.957 -4.886 -5.773 21 2HE2 GLN 44 2HE2 GLN 44 6.444 -4.080 -6.148 22 H ILE 45 H ILE 45 1.487 -2.809 0.396 23 HA ILE 45 HA ILE 45 2.735 -5.004 1.891 24 HB ILE 45 HB ILE 45 1.589 -2.355 2.739 25 1HG1 ILE 45 2HG1 ILE 45 3.874 -2.201 2.085 26 2HG1 ILE 45 3HG1 ILE 45 3.827 -2.156 3.836 27 1HG2 ILE 45 1HG2 ILE 45 2.409 -3.448 5.077 28 2HG2 ILE 45 2HG2 ILE 45 0.724 -3.448 4.507 29 3HG2 ILE 45 3HG2 ILE 45 1.745 -4.884 4.263 30 1HD1 ILE 45 1HD1 ILE 45 5.582 -3.679 3.353 31 2HD1 ILE 45 2HD1 ILE 45 4.201 -4.736 3.733 32 3HD1 ILE 45 3HD1 ILE 45 4.665 -4.454 2.038 33 H LYS 46 H LYS 46 -0.216 -3.702 0.507 34 HA LYS 46 HA LYS 46 -1.813 -5.603 2.044 35 1HB LYS 46 2HB LYS 46 -3.716 -4.363 1.354 36 2HB LYS 46 3HB LYS 46 -2.508 -3.198 1.858 37 1HG LYS 46 2HG LYS 46 -2.880 -2.193 -0.154 38 2HG LYS 46 3HG LYS 46 -1.902 -3.477 -0.833 39 1HD LYS 46 2HD LYS 46 -3.735 -3.962 -2.102 40 2HD LYS 46 3HD LYS 46 -4.364 -4.727 -0.656 41 1HE LYS 46 2HE LYS 46 -5.664 -2.800 -0.058 42 2HE LYS 46 3HE LYS 46 -4.770 -1.751 -1.140 43 1HZ LYS 46 1HZ LYS 46 -5.913 -3.900 -2.551 44 2HZ LYS 46 2HZ LYS 46 -7.063 -3.098 -1.713 45 3HZ LYS 46 3HZ LYS 46 -6.119 -2.296 -2.775 46 H ILE 47 H ILE 47 -0.265 -5.090 -1.054 47 HA ILE 47 HA ILE 47 -1.968 -6.999 -2.394 48 HB ILE 47 HB ILE 47 -1.144 -6.171 -4.289 49 1HG1 ILE 47 2HG1 ILE 47 0.973 -7.273 -4.204 50 2HG1 ILE 47 3HG1 ILE 47 1.255 -5.611 -4.677 51 1HG2 ILE 47 1HG2 ILE 47 0.133 -4.008 -2.617 52 2HG2 ILE 47 2HG2 ILE 47 -0.667 -3.873 -4.201 53 3HG2 ILE 47 3HG2 ILE 47 -1.632 -4.199 -2.740 54 1HD1 ILE 47 1HD1 ILE 47 2.801 -5.579 -3.006 55 2HD1 ILE 47 2HD1 ILE 47 1.410 -5.455 -1.903 56 3HD1 ILE 47 3HD1 ILE 47 2.131 -7.044 -2.248 57 H TRP 48 H TRP 48 0.532 -7.139 -0.140 58 HA TRP 48 HA TRP 48 1.712 -9.539 -1.305 59 1HB TRP 48 2HB TRP 48 2.729 -7.409 0.207 60 2HB TRP 48 3HB TRP 48 2.718 -8.780 1.299 61 HD1 TRP 48 HD1 TRP 48 4.898 -7.263 -1.235 62 HE1 TRP 48 HE1 TRP 48 6.818 -8.857 -2.093 63 HE3 TRP 48 HE3 TRP 48 2.900 -11.545 0.642 64 HZ2 TRP 48 HZ2 TRP 48 7.275 -11.667 -1.896 65 HZ3 TRP 48 HZ3 TRP 48 4.147 -13.671 0.265 66 HH2 TRP 48 HH2 TRP 48 6.261 -13.776 -0.955 67 H PHE 49 H PHE 49 -0.297 -8.299 1.403 68 HA PHE 49 HA PHE 49 -0.368 -10.666 2.880 69 1HB PHE 49 2HB PHE 49 -2.346 -8.347 2.455 70 2HB PHE 49 3HB PHE 49 -2.531 -9.528 3.736 71 HD1 PHE 49 HD1 PHE 49 -2.537 -7.081 4.859 72 HD2 PHE 49 HD2 PHE 49 0.890 -9.092 3.370 73 HE1 PHE 49 HE1 PHE 49 -1.074 -5.691 6.351 74 HE2 PHE 49 HE2 PHE 49 2.353 -7.703 4.863 75 HZ PHE 49 HZ PHE 49 1.354 -6.019 6.336 76 H GLN 50 H GLN 50 -2.103 -9.589 -0.030 77 HA GLN 50 HA GLN 50 -4.089 -11.616 0.249 78 1HB GLN 50 2HB GLN 50 -5.074 -10.688 -1.692 79 2HB GLN 50 3HB GLN 50 -4.354 -9.307 -0.888 80 1HG GLN 50 2HG GLN 50 -3.280 -8.874 -2.843 81 2HG GLN 50 3HG GLN 50 -2.255 -10.248 -2.480 82 1HE2 GLN 50 1HE2 GLN 50 -2.454 -12.125 -3.575 83 2HE2 GLN 50 2HE2 GLN 50 -3.510 -12.379 -4.925 84 H ASN 51 H ASN 51 -0.826 -11.495 -0.772 85 HA ASN 51 HA ASN 51 -1.124 -13.480 -2.807 86 1HB ASN 51 2HB ASN 51 1.158 -11.921 -1.580 87 2HB ASN 51 3HB ASN 51 1.554 -13.418 -2.399 88 1HD2 ASN 51 1HD2 ASN 51 2.107 -13.190 -4.415 89 2HD2 ASN 51 2HD2 ASN 51 1.523 -12.013 -5.546 90 H ARG 52 H ARG 52 0.194 -13.129 0.554 91 HA ARG 52 HA ARG 52 1.109 -15.740 0.752 92 1HB ARG 52 2HB ARG 52 0.468 -13.510 2.682 93 2HB ARG 52 3HB ARG 52 0.678 -15.115 3.355 94 1HG ARG 52 2HG ARG 52 2.901 -15.269 2.121 95 2HG ARG 52 3HG ARG 52 2.696 -13.596 1.639 96 1HD ARG 52 2HD ARG 52 3.426 -12.851 3.661 97 2HD ARG 52 3HD ARG 52 2.250 -13.835 4.509 98 HE ARG 52 HE ARG 52 3.869 -15.536 4.793 99 1HH1 ARG 52 2HH2 ARG 52 5.077 -13.032 2.636 100 2HH1 ARG 52 1HH2 ARG 52 6.708 -13.613 2.670 101 1HH2 ARG 52 2HH1 ARG 52 6.022 -16.302 4.838 102 2HH2 ARG 52 1HH1 ARG 52 7.250 -15.484 3.930 103 H ARG 53 H ARG 53 -2.084 -14.319 0.889 104 HA ARG 53 HA ARG 53 -3.357 -15.986 2.627 105 1HB ARG 53 2HB ARG 53 -4.079 -13.998 0.751 106 2HB ARG 53 3HB ARG 53 -4.977 -15.408 0.230 107 1HG ARG 53 2HG ARG 53 -6.461 -15.110 1.916 108 2HG ARG 53 3HG ARG 53 -5.178 -15.297 3.096 109 1HD ARG 53 2HD ARG 53 -4.605 -12.851 2.815 110 2HD ARG 53 3HD ARG 53 -5.951 -12.685 1.706 111 HE ARG 53 HE ARG 53 -7.464 -12.837 3.516 112 1HH1 ARG 53 2HH2 ARG 53 -4.202 -13.620 4.581 113 2HH1 ARG 53 1HH2 ARG 53 -4.603 -13.571 6.265 114 1HH2 ARG 53 2HH1 ARG 53 -7.993 -12.772 5.738 115 2HH2 ARG 53 1HH1 ARG 53 -6.774 -13.086 6.928 116 H MET 54 H MET 54 -1.905 -16.681 -0.458 117 HA MET 54 HA MET 54 -3.572 -18.986 -0.905 118 1HB MET 54 2HB MET 54 -2.591 -17.365 -2.712 119 2HB MET 54 3HB MET 54 -1.050 -18.147 -2.423 120 1HG MET 54 2HG MET 54 -2.874 -20.290 -2.747 121 2HG MET 54 3HG MET 54 -3.358 -19.117 -3.957 122 1HE MET 54 1HE MET 54 -1.791 -21.695 -5.763 123 2HE MET 54 2HE MET 54 -3.064 -20.459 -5.619 124 3HE MET 54 3HE MET 54 -1.645 -20.158 -6.650 125 H LYS 55 H LYS 55 -0.637 -18.136 0.736 126 HA LYS 55 HA LYS 55 0.819 -20.499 0.384 127 1HB LYS 55 2HB LYS 55 1.374 -18.117 1.454 128 2HB LYS 55 3HB LYS 55 0.991 -18.960 2.941 129 1HG LYS 55 2HG LYS 55 2.897 -20.219 2.861 130 2HG LYS 55 3HG LYS 55 2.699 -20.577 1.157 131 1HD LYS 55 2HD LYS 55 4.551 -19.231 0.938 132 2HD LYS 55 3HD LYS 55 3.361 -17.945 0.955 133 1HE LYS 55 2HE LYS 55 4.293 -17.102 2.841 134 2HE LYS 55 3HE LYS 55 3.908 -18.582 3.697 135 1HZ LYS 55 1HZ LYS 55 6.063 -19.224 2.193 136 2HZ LYS 55 2HZ LYS 55 6.401 -17.706 2.693 137 3HZ LYS 55 3HZ LYS 55 6.080 -18.874 3.789 138 H TRP 56 H TRP 56 -1.777 -19.534 2.676 139 HA TRP 56 HA TRP 56 -1.628 -21.585 4.468 140 1HB TRP 56 2HB TRP 56 -3.222 -20.156 5.121 141 2HB TRP 56 3HB TRP 56 -3.703 -19.755 3.485 142 HD1 TRP 56 HD1 TRP 56 -5.787 -21.121 2.470 143 HE1 TRP 56 HE1 TRP 56 -7.599 -22.789 3.417 144 HE3 TRP 56 HE3 TRP 56 -3.403 -22.039 6.865 145 HZ2 TRP 56 HZ2 TRP 56 -7.827 -24.273 5.844 146 HZ3 TRP 56 HZ3 TRP 56 -4.487 -23.610 8.468 147 HH2 TRP 56 HH2 TRP 56 -6.622 -24.711 8.016 148 H LYS 57 H LYS 57 -3.417 -21.494 1.301 149 HA LYS 57 HA LYS 57 -3.870 -24.345 1.496 150 1HB LYS 57 2HB LYS 57 -5.303 -24.063 -0.399 151 2HB LYS 57 3HB LYS 57 -5.645 -22.773 0.736 152 1HG LYS 57 2HG LYS 57 -4.002 -21.314 -0.614 153 2HG LYS 57 3HG LYS 57 -3.992 -22.584 -1.820 154 1HD LYS 57 2HD LYS 57 -6.704 -21.704 -0.918 155 2HD LYS 57 3HD LYS 57 -5.783 -20.501 -1.799 156 1HE LYS 57 2HE LYS 57 -5.316 -22.612 -3.432 157 2HE LYS 57 3HE LYS 57 -6.832 -23.160 -2.746 158 1HZ LYS 57 1HZ LYS 57 -7.945 -21.400 -3.633 159 2HZ LYS 57 2HZ LYS 57 -6.639 -20.422 -3.709 160 3HZ LYS 57 3HZ LYS 57 -6.820 -21.631 -4.793 161 H LYS 58 H LYS 58 -3.525 -25.521 -0.800 162 HA LYS 58 HA LYS 58 -0.705 -25.546 -1.130 163 1HB LYS 58 2HB LYS 58 -3.033 -27.065 -2.263 164 2HB LYS 58 3HB LYS 58 -1.474 -27.184 -3.052 165 1HG LYS 58 2HG LYS 58 -1.295 -28.919 -1.498 166 2HG LYS 58 3HG LYS 58 -0.562 -27.607 -0.595 167 1HD LYS 58 2HD LYS 58 -2.067 -28.239 1.025 168 2HD LYS 58 3HD LYS 58 -3.161 -27.211 0.120 169 1HE LYS 58 2HE LYS 58 -4.483 -28.989 -0.360 170 2HE LYS 58 3HE LYS 58 -3.149 -29.800 -1.154 171 1HZ LYS 58 1HZ LYS 58 -4.229 -30.255 1.419 172 2HZ LYS 58 2HZ LYS 58 -3.260 -31.214 0.519 173 3HZ LYS 58 3HZ LYS 58 -2.608 -30.065 1.480 Start of MODEL 10 1 H ARG 43 H ARG 43 -2.047 0.098 -1.544 2 HA ARG 43 HA ARG 43 0.220 1.195 -0.224 3 1HB ARG 43 2HB ARG 43 -1.930 -0.322 1.287 4 2HB ARG 43 3HB ARG 43 -0.258 -0.499 1.782 5 1HG ARG 43 2HG ARG 43 -0.035 1.839 2.279 6 2HG ARG 43 3HG ARG 43 -1.483 2.257 1.384 7 1HD ARG 43 2HD ARG 43 -2.788 0.808 3.091 8 2HD ARG 43 3HD ARG 43 -1.318 0.773 4.044 9 HE ARG 43 HE ARG 43 -1.963 3.491 3.298 10 1HH1 ARG 43 2HH2 ARG 43 -2.906 0.921 5.508 11 2HH1 ARG 43 1HH2 ARG 43 -3.529 2.006 6.705 12 1HH2 ARG 43 2HH1 ARG 43 -2.785 4.923 4.877 13 2HH2 ARG 43 1HH1 ARG 43 -3.460 4.298 6.345 14 H GLN 44 H GLN 44 1.970 -0.377 -0.090 15 HA GLN 44 HA GLN 44 1.492 -2.623 -1.836 16 1HB GLN 44 2HB GLN 44 3.939 -2.772 -1.976 17 2HB GLN 44 3HB GLN 44 3.422 -1.125 -2.276 18 1HG GLN 44 2HG GLN 44 4.066 -0.412 -0.054 19 2HG GLN 44 3HG GLN 44 4.256 -2.064 0.501 20 1HE2 GLN 44 1HE2 GLN 44 6.104 -3.157 0.156 21 2HE2 GLN 44 2HE2 GLN 44 7.520 -2.510 -0.603 22 H ILE 45 H ILE 45 1.067 -2.083 1.372 23 HA ILE 45 HA ILE 45 2.302 -4.593 2.221 24 HB ILE 45 HB ILE 45 2.314 -2.142 3.385 25 1HG1 ILE 45 2HG1 ILE 45 3.139 -3.287 5.385 26 2HG1 ILE 45 3HG1 ILE 45 2.451 -4.802 4.836 27 1HG2 ILE 45 1HG2 ILE 45 0.282 -3.658 5.017 28 2HG2 ILE 45 2HG2 ILE 45 0.799 -1.960 5.155 29 3HG2 ILE 45 3HG2 ILE 45 -0.203 -2.477 3.777 30 1HD1 ILE 45 1HD1 ILE 45 4.104 -5.154 3.278 31 2HD1 ILE 45 2HD1 ILE 45 4.226 -3.427 2.866 32 3HD1 ILE 45 3HD1 ILE 45 5.024 -4.051 4.329 33 H LYS 46 H LYS 46 -0.222 -4.073 0.468 34 HA LYS 46 HA LYS 46 -1.881 -5.927 1.993 35 1HB LYS 46 2HB LYS 46 -3.893 -4.692 1.600 36 2HB LYS 46 3HB LYS 46 -2.748 -3.628 2.391 37 1HG LYS 46 2HG LYS 46 -2.619 -2.222 0.592 38 2HG LYS 46 3HG LYS 46 -2.516 -3.543 -0.555 39 1HD LYS 46 2HD LYS 46 -4.916 -3.839 -0.588 40 2HD LYS 46 3HD LYS 46 -5.134 -2.827 0.826 41 1HE LYS 46 2HE LYS 46 -5.599 -1.189 -0.713 42 2HE LYS 46 3HE LYS 46 -3.855 -1.047 -0.819 43 1HZ LYS 46 1HZ LYS 46 -3.925 -1.806 -2.871 44 2HZ LYS 46 2HZ LYS 46 -4.783 -3.132 -2.460 45 3HZ LYS 46 3HZ LYS 46 -5.556 -1.742 -2.828 46 H ILE 47 H ILE 47 0.083 -5.698 -0.467 47 HA ILE 47 HA ILE 47 -1.786 -6.897 -2.390 48 HB ILE 47 HB ILE 47 -0.813 -5.791 -4.048 49 1HG1 ILE 47 2HG1 ILE 47 1.212 -7.208 -3.882 50 2HG1 ILE 47 3HG1 ILE 47 1.548 -5.581 -4.436 51 1HG2 ILE 47 1HG2 ILE 47 0.291 -3.644 -3.398 52 2HG2 ILE 47 2HG2 ILE 47 -1.256 -3.957 -2.577 53 3HG2 ILE 47 3HG2 ILE 47 0.278 -4.207 -1.710 54 1HD1 ILE 47 1HD1 ILE 47 2.978 -5.252 -2.714 55 2HD1 ILE 47 2HD1 ILE 47 1.686 -5.612 -1.543 56 3HD1 ILE 47 3HD1 ILE 47 2.689 -6.931 -2.193 57 H TRP 48 H TRP 48 1.226 -7.208 -0.521 58 HA TRP 48 HA TRP 48 1.921 -9.685 -1.819 59 1HB TRP 48 2HB TRP 48 3.327 -7.733 -0.476 60 2HB TRP 48 3HB TRP 48 3.254 -9.026 0.704 61 HD1 TRP 48 HD1 TRP 48 5.238 -7.976 -2.256 62 HE1 TRP 48 HE1 TRP 48 6.908 -9.832 -3.108 63 HE3 TRP 48 HE3 TRP 48 3.206 -11.782 0.436 64 HZ2 TRP 48 HZ2 TRP 48 7.187 -12.622 -2.573 65 HZ3 TRP 48 HZ3 TRP 48 4.237 -14.040 0.214 66 HH2 TRP 48 HH2 TRP 48 6.159 -14.491 -1.226 67 H PHE 49 H PHE 49 0.289 -8.468 1.126 68 HA PHE 49 HA PHE 49 0.252 -10.904 2.510 69 1HB PHE 49 2HB PHE 49 -1.338 -8.299 2.433 70 2HB PHE 49 3HB PHE 49 -1.910 -9.597 3.462 71 HD1 PHE 49 HD1 PHE 49 1.566 -8.448 2.746 72 HD2 PHE 49 HD2 PHE 49 -1.498 -8.931 5.641 73 HE1 PHE 49 HE1 PHE 49 3.153 -7.717 4.548 74 HE2 PHE 49 HE2 PHE 49 0.088 -8.202 7.443 75 HZ PHE 49 HZ PHE 49 2.395 -7.604 6.876 76 H GLN 50 H GLN 50 -1.716 -9.575 -0.132 77 HA GLN 50 HA GLN 50 -3.861 -11.367 0.290 78 1HB GLN 50 2HB GLN 50 -4.840 -10.370 -1.611 79 2HB GLN 50 3HB GLN 50 -3.865 -9.078 -0.938 80 1HG GLN 50 2HG GLN 50 -2.968 -8.904 -3.029 81 2HG GLN 50 3HG GLN 50 -2.030 -10.320 -2.598 82 1HE2 GLN 50 1HE2 GLN 50 -2.695 -9.679 -5.203 83 2HE2 GLN 50 2HE2 GLN 50 -3.771 -10.867 -5.860 84 H ASN 51 H ASN 51 -0.709 -11.545 -1.212 85 HA ASN 51 HA ASN 51 -1.423 -13.651 -2.983 86 1HB ASN 51 2HB ASN 51 1.086 -12.178 -2.203 87 2HB ASN 51 3HB ASN 51 1.306 -13.791 -2.853 88 1HD2 ASN 51 1HD2 ASN 51 1.405 -10.721 -3.688 89 2HD2 ASN 51 2HD2 ASN 51 0.853 -10.749 -5.330 90 H ARG 52 H ARG 52 0.328 -13.213 0.162 91 HA ARG 52 HA ARG 52 1.130 -15.827 0.456 92 1HB ARG 52 2HB ARG 52 1.760 -13.694 1.825 93 2HB ARG 52 3HB ARG 52 0.322 -14.016 2.773 94 1HG ARG 52 2HG ARG 52 1.241 -16.390 3.154 95 2HG ARG 52 3HG ARG 52 2.739 -15.844 2.426 96 1HD ARG 52 2HD ARG 52 1.773 -13.979 4.503 97 2HD ARG 52 3HD ARG 52 2.028 -15.593 5.134 98 HE ARG 52 HE ARG 52 4.232 -14.668 3.443 99 1HH1 ARG 52 2HH2 ARG 52 2.913 -14.665 6.704 100 2HH1 ARG 52 1HH2 ARG 52 4.445 -14.374 7.461 101 1HH2 ARG 52 2HH1 ARG 52 6.252 -14.284 4.438 102 2HH2 ARG 52 1HH1 ARG 52 6.356 -14.156 6.163 103 H ARG 53 H ARG 53 -2.019 -14.324 0.731 104 HA ARG 53 HA ARG 53 -3.228 -15.847 2.620 105 1HB ARG 53 2HB ARG 53 -4.018 -13.986 0.659 106 2HB ARG 53 3HB ARG 53 -4.938 -15.418 0.247 107 1HG ARG 53 2HG ARG 53 -5.853 -15.554 2.530 108 2HG ARG 53 3HG ARG 53 -4.827 -14.236 3.060 109 1HD ARG 53 2HD ARG 53 -6.287 -12.671 2.280 110 2HD ARG 53 3HD ARG 53 -6.369 -13.433 0.705 111 HE ARG 53 HE ARG 53 -8.273 -13.752 2.882 112 1HH1 ARG 53 2HH2 ARG 53 -6.892 -15.364 0.076 113 2HH1 ARG 53 1HH2 ARG 53 -8.262 -16.394 -0.167 114 1HH2 ARG 53 2HH1 ARG 53 -10.082 -15.112 2.562 115 2HH2 ARG 53 1HH1 ARG 53 -10.089 -16.250 1.256 116 H MET 54 H MET 54 -1.973 -16.783 -0.498 117 HA MET 54 HA MET 54 -3.693 -19.061 -0.737 118 1HB MET 54 2HB MET 54 -2.685 -17.681 -2.677 119 2HB MET 54 3HB MET 54 -1.128 -18.377 -2.274 120 1HG MET 54 2HG MET 54 -2.569 -20.677 -2.435 121 2HG MET 54 3HG MET 54 -3.534 -19.689 -3.515 122 1HE MET 54 1HE MET 54 -1.966 -20.292 -6.642 123 2HE MET 54 2HE MET 54 -3.369 -19.992 -5.588 124 3HE MET 54 3HE MET 54 -2.299 -18.646 -6.050 125 H LYS 55 H LYS 55 -0.688 -18.232 0.819 126 HA LYS 55 HA LYS 55 0.737 -20.574 0.675 127 1HB LYS 55 2HB LYS 55 1.636 -18.540 1.630 128 2HB LYS 55 3HB LYS 55 0.471 -18.575 2.937 129 1HG LYS 55 2HG LYS 55 1.530 -21.047 3.287 130 2HG LYS 55 3HG LYS 55 2.906 -20.287 2.514 131 1HD LYS 55 2HD LYS 55 2.703 -18.388 4.222 132 2HD LYS 55 3HD LYS 55 1.491 -19.346 5.050 133 1HE LYS 55 2HE LYS 55 3.555 -21.189 4.720 134 2HE LYS 55 3HE LYS 55 4.439 -19.697 4.964 135 1HZ LYS 55 1HZ LYS 55 4.054 -20.396 7.081 136 2HZ LYS 55 2HZ LYS 55 2.773 -19.402 6.884 137 3HZ LYS 55 3HZ LYS 55 2.578 -21.019 6.765 138 H TRP 56 H TRP 56 -1.929 -19.663 2.947 139 HA TRP 56 HA TRP 56 -1.901 -21.857 4.564 140 1HB TRP 56 2HB TRP 56 -3.910 -19.889 3.683 141 2HB TRP 56 3HB TRP 56 -4.573 -21.397 4.279 142 HD1 TRP 56 HD1 TRP 56 -3.619 -18.138 5.589 143 HE1 TRP 56 HE1 TRP 56 -3.193 -18.087 8.193 144 HE3 TRP 56 HE3 TRP 56 -3.266 -23.178 6.159 145 HZ2 TRP 56 HZ2 TRP 56 -2.766 -20.117 10.154 146 HZ3 TRP 56 HZ3 TRP 56 -2.844 -24.062 8.451 147 HH2 TRP 56 HH2 TRP 56 -2.596 -22.620 10.409 148 H LYS 57 H LYS 57 -3.508 -21.434 1.336 149 HA LYS 57 HA LYS 57 -4.762 -23.831 1.124 150 1HB LYS 57 2HB LYS 57 -4.030 -21.700 -0.587 151 2HB LYS 57 3HB LYS 57 -3.504 -23.165 -1.389 152 1HG LYS 57 2HG LYS 57 -6.238 -23.190 -0.127 153 2HG LYS 57 3HG LYS 57 -6.037 -22.244 -1.589 154 1HD LYS 57 2HD LYS 57 -6.592 -24.321 -2.503 155 2HD LYS 57 3HD LYS 57 -4.843 -24.424 -2.518 156 1HE LYS 57 2HE LYS 57 -5.134 -25.460 -0.097 157 2HE LYS 57 3HE LYS 57 -6.791 -25.734 -0.597 158 1HZ LYS 57 1HZ LYS 57 -5.082 -26.538 -2.645 159 2HZ LYS 57 2HZ LYS 57 -4.575 -27.227 -1.254 160 3HZ LYS 57 3HZ LYS 57 -6.110 -27.451 -1.763 161 H LYS 58 H LYS 58 -4.021 -25.821 1.630 162 HA LYS 58 HA LYS 58 -1.248 -26.423 0.888 163 1HB LYS 58 2HB LYS 58 -2.968 -27.132 3.197 164 2HB LYS 58 3HB LYS 58 -1.974 -28.433 2.573 165 1HG LYS 58 2HG LYS 58 -0.057 -27.495 3.373 166 2HG LYS 58 3HG LYS 58 -0.458 -25.920 2.718 167 1HD LYS 58 2HD LYS 58 -0.472 -25.513 5.039 168 2HD LYS 58 3HD LYS 58 -2.173 -25.757 4.695 169 1HE LYS 58 2HE LYS 58 -1.579 -28.320 5.212 170 2HE LYS 58 3HE LYS 58 -0.230 -27.615 6.080 171 1HZ LYS 58 1HZ LYS 58 -1.611 -27.123 7.699 172 2HZ LYS 58 2HZ LYS 58 -2.518 -26.183 6.721 173 3HZ LYS 58 3HZ LYS 58 -2.871 -27.769 6.885 Start of MODEL 11 1 H ARG 43 H ARG 43 -3.384 -1.468 -2.081 2 HA ARG 43 HA ARG 43 -1.841 -0.118 -3.179 3 1HB ARG 43 2HB ARG 43 -1.910 -0.162 -0.206 4 2HB ARG 43 3HB ARG 43 -0.524 0.691 -0.855 5 1HG ARG 43 2HG ARG 43 -3.052 1.342 -2.259 6 2HG ARG 43 3HG ARG 43 -3.085 1.754 -0.556 7 1HD ARG 43 2HD ARG 43 -0.521 2.535 -1.724 8 2HD ARG 43 3HD ARG 43 -1.838 3.217 -2.657 9 HE ARG 43 HE ARG 43 -1.151 3.851 0.134 10 1HH1 ARG 43 2HH2 ARG 43 -3.606 4.032 -2.380 11 2HH1 ARG 43 1HH2 ARG 43 -4.452 5.348 -1.637 12 1HH2 ARG 43 2HH1 ARG 43 -2.267 5.588 1.114 13 2HH2 ARG 43 1HH1 ARG 43 -3.686 6.239 0.364 14 H GLN 44 H GLN 44 -0.281 -2.388 -0.824 15 HA GLN 44 HA GLN 44 1.664 -3.223 -2.521 16 1HB GLN 44 2HB GLN 44 2.247 -0.583 -1.857 17 2HB GLN 44 3HB GLN 44 3.218 -1.478 -0.705 18 1HG GLN 44 2HG GLN 44 4.720 -1.989 -2.322 19 2HG GLN 44 3HG GLN 44 3.475 -2.794 -3.256 20 1HE2 GLN 44 1HE2 GLN 44 4.267 -2.100 -5.204 21 2HE2 GLN 44 2HE2 GLN 44 4.145 -0.469 -5.773 22 H ILE 45 H ILE 45 0.694 -2.332 0.792 23 HA ILE 45 HA ILE 45 2.254 -4.562 1.848 24 HB ILE 45 HB ILE 45 1.907 -2.032 2.764 25 1HG1 ILE 45 2HG1 ILE 45 2.740 -2.982 4.969 26 2HG1 ILE 45 3HG1 ILE 45 2.554 -4.578 4.270 27 1HG2 ILE 45 1HG2 ILE 45 -0.546 -2.823 3.243 28 2HG2 ILE 45 2HG2 ILE 45 0.196 -3.590 4.668 29 3HG2 ILE 45 3HG2 ILE 45 0.336 -1.831 4.430 30 1HD1 ILE 45 1HD1 ILE 45 4.870 -3.781 3.975 31 2HD1 ILE 45 2HD1 ILE 45 4.072 -3.933 2.391 32 3HD1 ILE 45 3HD1 ILE 45 4.279 -2.328 3.132 33 H LYS 46 H LYS 46 -0.723 -4.011 0.416 34 HA LYS 46 HA LYS 46 -1.982 -6.085 2.074 35 1HB LYS 46 2HB LYS 46 -3.399 -4.293 2.343 36 2HB LYS 46 3HB LYS 46 -3.055 -3.622 0.761 37 1HG LYS 46 2HG LYS 46 -4.333 -5.462 -0.322 38 2HG LYS 46 3HG LYS 46 -4.634 -6.195 1.241 39 1HD LYS 46 2HD LYS 46 -5.698 -3.888 1.891 40 2HD LYS 46 3HD LYS 46 -5.705 -3.558 0.170 41 1HE LYS 46 2HE LYS 46 -7.606 -4.773 -0.053 42 2HE LYS 46 3HE LYS 46 -6.755 -6.205 0.486 43 1HZ LYS 46 1HZ LYS 46 -7.288 -5.694 2.715 44 2HZ LYS 46 2HZ LYS 46 -7.888 -4.224 2.331 45 3HZ LYS 46 3HZ LYS 46 -8.675 -5.575 1.860 46 H ILE 47 H ILE 47 -0.459 -5.355 -0.894 47 HA ILE 47 HA ILE 47 -2.029 -7.266 -2.407 48 HB ILE 47 HB ILE 47 -1.249 -6.251 -4.220 49 1HG1 ILE 47 2HG1 ILE 47 0.934 -7.311 -4.086 50 2HG1 ILE 47 3HG1 ILE 47 1.089 -5.656 -4.637 51 1HG2 ILE 47 1HG2 ILE 47 -0.080 -4.163 -2.376 52 2HG2 ILE 47 2HG2 ILE 47 -0.829 -3.942 -3.975 53 3HG2 ILE 47 3HG2 ILE 47 -1.831 -4.402 -2.578 54 1HD1 ILE 47 1HD1 ILE 47 2.482 -6.811 -2.504 55 2HD1 ILE 47 2HD1 ILE 47 2.352 -5.069 -2.841 56 3HD1 ILE 47 3HD1 ILE 47 1.223 -5.841 -1.702 57 H TRP 48 H TRP 48 0.755 -7.141 -0.329 58 HA TRP 48 HA TRP 48 1.920 -9.528 -1.502 59 1HB TRP 48 2HB TRP 48 2.965 -7.325 -0.197 60 2HB TRP 48 3HB TRP 48 3.022 -8.576 1.030 61 HD1 TRP 48 HD1 TRP 48 4.971 -7.352 -1.886 62 HE1 TRP 48 HE1 TRP 48 6.927 -8.977 -2.591 63 HE3 TRP 48 HE3 TRP 48 3.378 -11.316 0.872 64 HZ2 TRP 48 HZ2 TRP 48 7.573 -11.678 -1.933 65 HZ3 TRP 48 HZ3 TRP 48 4.728 -13.410 0.785 66 HH2 TRP 48 HH2 TRP 48 6.761 -13.628 -0.555 67 H PHE 49 H PHE 49 -0.059 -8.381 1.243 68 HA PHE 49 HA PHE 49 0.158 -10.703 2.801 69 1HB PHE 49 2HB PHE 49 -1.798 -8.382 2.441 70 2HB PHE 49 3HB PHE 49 -2.207 -9.671 3.556 71 HD1 PHE 49 HD1 PHE 49 -2.014 -8.774 5.682 72 HD2 PHE 49 HD2 PHE 49 1.078 -8.040 2.870 73 HE1 PHE 49 HE1 PHE 49 -0.652 -7.658 7.470 74 HE2 PHE 49 HE2 PHE 49 2.440 -6.924 4.658 75 HZ PHE 49 HZ PHE 49 1.559 -6.747 6.937 76 H GLN 50 H GLN 50 -1.762 -9.861 -0.058 77 HA GLN 50 HA GLN 50 -3.658 -11.926 0.377 78 1HB GLN 50 2HB GLN 50 -4.284 -9.931 -0.889 79 2HB GLN 50 3HB GLN 50 -3.006 -10.209 -2.054 80 1HG GLN 50 2HG GLN 50 -4.319 -12.622 -2.187 81 2HG GLN 50 3HG GLN 50 -5.655 -11.563 -1.784 82 1HE2 GLN 50 1HE2 GLN 50 -3.043 -12.185 -4.046 83 2HE2 GLN 50 2HE2 GLN 50 -3.687 -11.324 -5.403 84 H ASN 51 H ASN 51 -0.565 -11.530 -1.367 85 HA ASN 51 HA ASN 51 -0.772 -13.770 -2.969 86 1HB ASN 51 2HB ASN 51 1.438 -12.028 -1.920 87 2HB ASN 51 3HB ASN 51 1.934 -13.611 -2.486 88 1HD2 ASN 51 1HD2 ASN 51 2.464 -13.745 -4.519 89 2HD2 ASN 51 2HD2 ASN 51 1.894 -12.761 -5.826 90 H ARG 52 H ARG 52 0.340 -13.226 0.416 91 HA ARG 52 HA ARG 52 1.327 -15.856 0.701 92 1HB ARG 52 2HB ARG 52 1.795 -13.560 2.051 93 2HB ARG 52 3HB ARG 52 0.530 -14.187 3.089 94 1HG ARG 52 2HG ARG 52 1.884 -15.811 3.955 95 2HG ARG 52 3HG ARG 52 2.505 -16.260 2.380 96 1HD ARG 52 2HD ARG 52 3.895 -14.051 2.493 97 2HD ARG 52 3HD ARG 52 3.475 -14.014 4.195 98 HE ARG 52 HE ARG 52 4.511 -16.617 3.424 99 1HH1 ARG 52 2HH2 ARG 52 5.477 -13.338 4.260 100 2HH1 ARG 52 1HH2 ARG 52 7.051 -13.807 4.814 101 1HH2 ARG 52 2HH1 ARG 52 6.586 -17.236 4.155 102 2HH2 ARG 52 1HH1 ARG 52 7.685 -16.039 4.753 103 H ARG 53 H ARG 53 -1.794 -14.283 0.918 104 HA ARG 53 HA ARG 53 -2.948 -16.017 2.781 105 1HB ARG 53 2HB ARG 53 -3.728 -13.728 1.244 106 2HB ARG 53 3HB ARG 53 -4.890 -14.983 0.864 107 1HG ARG 53 2HG ARG 53 -4.528 -15.171 3.669 108 2HG ARG 53 3HG ARG 53 -4.564 -13.450 3.344 109 1HD ARG 53 2HD ARG 53 -6.636 -14.944 1.840 110 2HD ARG 53 3HD ARG 53 -6.804 -15.111 3.576 111 HE ARG 53 HE ARG 53 -7.291 -12.806 3.755 112 1HH1 ARG 53 2HH2 ARG 53 -6.189 -13.573 0.502 113 2HH1 ARG 53 1HH2 ARG 53 -6.652 -12.039 -0.154 114 1HH2 ARG 53 2HH1 ARG 53 -7.902 -10.781 2.889 115 2HH2 ARG 53 1HH1 ARG 53 -7.632 -10.440 1.212 116 H MET 54 H MET 54 -2.086 -16.295 -0.592 117 HA MET 54 HA MET 54 -4.071 -18.177 -1.287 118 1HB MET 54 2HB MET 54 -1.662 -16.898 -2.477 119 2HB MET 54 3HB MET 54 -1.884 -18.550 -3.022 120 1HG MET 54 2HG MET 54 -3.752 -18.028 -4.251 121 2HG MET 54 3HG MET 54 -4.405 -16.987 -3.001 122 1HE MET 54 1HE MET 54 -4.101 -15.178 -6.458 123 2HE MET 54 2HE MET 54 -5.012 -16.371 -5.502 124 3HE MET 54 3HE MET 54 -4.978 -14.664 -4.997 125 H LYS 55 H LYS 55 -1.067 -18.311 0.487 126 HA LYS 55 HA LYS 55 -1.134 -21.242 0.285 127 1HB LYS 55 2HB LYS 55 1.130 -19.313 0.144 128 2HB LYS 55 3HB LYS 55 1.404 -20.778 1.061 129 1HG LYS 55 2HG LYS 55 1.401 -22.102 -0.808 130 2HG LYS 55 3HG LYS 55 0.016 -21.283 -1.503 131 1HD LYS 55 2HD LYS 55 2.233 -19.433 -1.523 132 2HD LYS 55 3HD LYS 55 2.804 -20.958 -2.169 133 1HE LYS 55 2HE LYS 55 0.727 -20.975 -3.685 134 2HE LYS 55 3HE LYS 55 0.412 -19.336 -3.149 135 1HZ LYS 55 1HZ LYS 55 2.916 -19.088 -3.836 136 2HZ LYS 55 2HZ LYS 55 2.535 -20.319 -4.838 137 3HZ LYS 55 3HZ LYS 55 1.706 -18.915 -4.919 138 H TRP 56 H TRP 56 -2.922 -20.367 2.004 139 HA TRP 56 HA TRP 56 -1.819 -21.119 4.525 140 1HB TRP 56 2HB TRP 56 -1.837 -18.349 3.925 141 2HB TRP 56 3HB TRP 56 -3.137 -18.631 5.065 142 HD1 TRP 56 HD1 TRP 56 0.060 -20.765 5.312 143 HE1 TRP 56 HE1 TRP 56 1.395 -20.238 7.527 144 HE3 TRP 56 HE3 TRP 56 -2.778 -16.779 6.697 145 HZ2 TRP 56 HZ2 TRP 56 1.120 -18.257 9.564 146 HZ3 TRP 56 HZ3 TRP 56 -2.177 -15.605 8.812 147 HH2 TRP 56 HH2 TRP 56 -0.303 -16.284 10.228 148 H LYS 57 H LYS 57 -4.513 -19.523 2.700 149 HA LYS 57 HA LYS 57 -6.579 -20.285 4.363 150 1HB LYS 57 2HB LYS 57 -6.443 -18.730 2.235 151 2HB LYS 57 3HB LYS 57 -6.944 -20.179 1.385 152 1HG LYS 57 2HG LYS 57 -8.515 -19.759 3.843 153 2HG LYS 57 3HG LYS 57 -8.624 -18.385 2.760 154 1HD LYS 57 2HD LYS 57 -8.878 -20.537 1.005 155 2HD LYS 57 3HD LYS 57 -9.696 -21.131 2.436 156 1HE LYS 57 2HE LYS 57 -10.527 -18.406 2.081 157 2HE LYS 57 3HE LYS 57 -10.617 -19.168 0.506 158 1HZ LYS 57 1HZ LYS 57 -12.092 -20.733 1.287 159 2HZ LYS 57 2HZ LYS 57 -11.701 -20.517 2.858 160 3HZ LYS 57 3HZ LYS 57 -12.580 -19.387 2.072 161 H LYS 58 H LYS 58 -8.257 -21.986 4.004 162 HA LYS 58 HA LYS 58 -6.923 -24.504 3.609 163 1HB LYS 58 2HB LYS 58 -8.854 -25.477 4.590 164 2HB LYS 58 3HB LYS 58 -8.503 -24.021 5.499 165 1HG LYS 58 2HG LYS 58 -10.188 -23.068 3.491 166 2HG LYS 58 3HG LYS 58 -10.847 -24.661 3.803 167 1HD LYS 58 2HD LYS 58 -10.224 -23.435 6.348 168 2HD LYS 58 3HD LYS 58 -11.130 -22.278 5.394 169 1HE LYS 58 2HE LYS 58 -12.774 -24.233 4.885 170 2HE LYS 58 3HE LYS 58 -11.963 -25.102 6.172 171 1HZ LYS 58 1HZ LYS 58 -13.947 -23.271 6.462 172 2HZ LYS 58 2HZ LYS 58 -13.031 -23.900 7.659 173 3HZ LYS 58 3HZ LYS 58 -12.613 -22.479 6.972 Start of MODEL 12 1 H ARG 43 H ARG 43 2.995 0.614 0.077 2 HA ARG 43 HA ARG 43 0.866 0.477 -0.753 3 1HB ARG 43 2HB ARG 43 1.696 2.354 -2.568 4 2HB ARG 43 3HB ARG 43 1.652 0.948 -3.613 5 1HG ARG 43 2HG ARG 43 -0.727 1.180 -1.855 6 2HG ARG 43 3HG ARG 43 -0.540 2.533 -2.953 7 1HD ARG 43 2HD ARG 43 -0.026 -0.020 -4.319 8 2HD ARG 43 3HD ARG 43 -1.614 -0.007 -3.578 9 HE ARG 43 HE ARG 43 -0.756 1.589 -5.855 10 1HH1 ARG 43 2HH2 ARG 43 -2.961 1.532 -3.113 11 2HH1 ARG 43 1HH2 ARG 43 -4.101 2.612 -3.845 12 1HH2 ARG 43 2HH1 ARG 43 -2.259 3.014 -6.820 13 2HH2 ARG 43 1HH1 ARG 43 -3.699 3.460 -5.966 14 H GLN 44 H GLN 44 2.626 -1.516 -0.168 15 HA GLN 44 HA GLN 44 2.029 -3.419 -2.241 16 1HB GLN 44 2HB GLN 44 4.804 -2.535 -1.523 17 2HB GLN 44 3HB GLN 44 4.565 -4.255 -1.757 18 1HG GLN 44 2HG GLN 44 3.178 -3.170 -3.920 19 2HG GLN 44 3HG GLN 44 4.521 -2.059 -3.749 20 1HE2 GLN 44 1HE2 GLN 44 6.663 -3.276 -3.175 21 2HE2 GLN 44 2HE2 GLN 44 7.071 -4.597 -4.219 22 H ILE 45 H ILE 45 1.348 -2.644 0.671 23 HA ILE 45 HA ILE 45 2.230 -5.101 1.992 24 HB ILE 45 HB ILE 45 2.251 -2.529 2.864 25 1HG1 ILE 45 2HG1 ILE 45 2.661 -3.470 5.085 26 2HG1 ILE 45 3HG1 ILE 45 1.951 -4.997 4.601 27 1HG2 ILE 45 1HG2 ILE 45 -0.350 -2.771 2.870 28 2HG2 ILE 45 2HG2 ILE 45 -0.072 -3.672 4.380 29 3HG2 ILE 45 3HG2 ILE 45 0.480 -1.986 4.236 30 1HD1 ILE 45 1HD1 ILE 45 3.920 -5.673 3.716 31 2HD1 ILE 45 2HD1 ILE 45 3.956 -4.251 2.645 32 3HD1 ILE 45 3HD1 ILE 45 4.660 -4.154 4.278 33 H LYS 46 H LYS 46 -0.388 -3.691 0.254 34 HA LYS 46 HA LYS 46 -2.295 -5.496 1.550 35 1HB LYS 46 2HB LYS 46 -4.028 -4.140 0.589 36 2HB LYS 46 3HB LYS 46 -2.890 -3.094 1.416 37 1HG LYS 46 2HG LYS 46 -1.772 -3.127 -1.092 38 2HG LYS 46 3HG LYS 46 -3.460 -3.345 -1.510 39 1HD LYS 46 2HD LYS 46 -3.283 -1.294 0.529 40 2HD LYS 46 3HD LYS 46 -2.126 -0.919 -0.732 41 1HE LYS 46 2HE LYS 46 -3.975 -1.241 -2.447 42 2HE LYS 46 3HE LYS 46 -5.108 -1.460 -1.129 43 1HZ LYS 46 1HZ LYS 46 -3.410 0.913 -1.223 44 2HZ LYS 46 2HZ LYS 46 -4.791 0.851 -2.094 45 3HZ LYS 46 3HZ LYS 46 -4.843 0.712 -0.468 46 H ILE 47 H ILE 47 -0.001 -5.618 -0.804 47 HA ILE 47 HA ILE 47 -1.716 -7.199 -2.589 48 HB ILE 47 HB ILE 47 -0.659 -6.360 -4.348 49 1HG1 ILE 47 2HG1 ILE 47 1.377 -7.671 -3.820 50 2HG1 ILE 47 3HG1 ILE 47 1.717 -6.151 -4.626 51 1HG2 ILE 47 1HG2 ILE 47 0.338 -4.102 -4.023 52 2HG2 ILE 47 2HG2 ILE 47 -1.231 -4.321 -3.212 53 3HG2 ILE 47 3HG2 ILE 47 0.276 -4.371 -2.265 54 1HD1 ILE 47 1HD1 ILE 47 3.037 -6.932 -2.402 55 2HD1 ILE 47 2HD1 ILE 47 2.727 -5.217 -2.765 56 3HD1 ILE 47 3HD1 ILE 47 1.675 -6.091 -1.625 57 H TRP 48 H TRP 48 0.865 -7.208 -0.248 58 HA TRP 48 HA TRP 48 1.854 -9.785 -1.156 59 1HB TRP 48 2HB TRP 48 2.902 -7.580 0.339 60 2HB TRP 48 3HB TRP 48 2.973 -9.018 1.337 61 HD1 TRP 48 HD1 TRP 48 5.352 -7.348 -0.571 62 HE1 TRP 48 HE1 TRP 48 7.115 -8.825 -1.865 63 HE3 TRP 48 HE3 TRP 48 2.665 -11.661 -0.380 64 HZ2 TRP 48 HZ2 TRP 48 7.187 -11.570 -2.645 65 HZ3 TRP 48 HZ3 TRP 48 3.653 -13.693 -1.432 66 HH2 TRP 48 HH2 TRP 48 5.834 -13.694 -2.536 67 H PHE 49 H PHE 49 -0.238 -8.236 1.281 68 HA PHE 49 HA PHE 49 -0.397 -10.481 2.987 69 1HB PHE 49 2HB PHE 49 -1.958 -7.917 2.420 70 2HB PHE 49 3HB PHE 49 -2.631 -9.083 3.542 71 HD1 PHE 49 HD1 PHE 49 0.990 -8.545 3.265 72 HD2 PHE 49 HD2 PHE 49 -2.535 -7.588 5.424 73 HE1 PHE 49 HE1 PHE 49 2.385 -7.574 5.111 74 HE2 PHE 49 HE2 PHE 49 -1.141 -6.617 7.272 75 HZ PHE 49 HZ PHE 49 1.304 -6.622 7.093 76 H GLN 50 H GLN 50 -1.833 -9.662 -0.098 77 HA GLN 50 HA GLN 50 -3.953 -11.588 0.348 78 1HB GLN 50 2HB GLN 50 -4.992 -10.683 -1.647 79 2HB GLN 50 3HB GLN 50 -4.492 -9.338 -0.641 80 1HG GLN 50 2HG GLN 50 -3.229 -8.523 -2.335 81 2HG GLN 50 3HG GLN 50 -2.262 -9.984 -2.332 82 1HE2 GLN 50 1HE2 GLN 50 -2.010 -10.001 -4.534 83 2HE2 GLN 50 2HE2 GLN 50 -3.274 -10.412 -5.646 84 H ASN 51 H ASN 51 -0.773 -11.697 -0.465 85 HA ASN 51 HA ASN 51 -1.211 -13.644 -2.585 86 1HB ASN 51 2HB ASN 51 1.115 -11.846 -1.829 87 2HB ASN 51 3HB ASN 51 1.455 -13.337 -2.685 88 1HD2 ASN 51 1HD2 ASN 51 2.075 -12.486 -4.587 89 2HD2 ASN 51 2HD2 ASN 51 1.049 -11.608 -5.670 90 H ARG 52 H ARG 52 0.328 -12.927 0.590 91 HA ARG 52 HA ARG 52 1.594 -15.428 0.789 92 1HB ARG 52 2HB ARG 52 1.770 -13.017 2.137 93 2HB ARG 52 3HB ARG 52 0.907 -13.986 3.315 94 1HG ARG 52 2HG ARG 52 3.304 -15.232 1.983 95 2HG ARG 52 3HG ARG 52 3.603 -13.974 3.166 96 1HD ARG 52 2HD ARG 52 2.591 -15.210 4.933 97 2HD ARG 52 3HD ARG 52 1.700 -16.244 3.832 98 HE ARG 52 HE ARG 52 4.630 -16.452 3.600 99 1HH1 ARG 52 2HH2 ARG 52 1.719 -17.717 5.118 100 2HH1 ARG 52 1HH2 ARG 52 2.432 -19.247 5.506 101 1HH2 ARG 52 2HH1 ARG 52 5.572 -18.470 4.113 102 2HH2 ARG 52 1HH1 ARG 52 4.639 -19.678 4.931 103 H ARG 53 H ARG 53 -1.653 -14.231 1.326 104 HA ARG 53 HA ARG 53 -2.294 -16.357 3.138 105 1HB ARG 53 2HB ARG 53 -3.750 -13.965 1.992 106 2HB ARG 53 3HB ARG 53 -4.709 -15.280 2.644 107 1HG ARG 53 2HG ARG 53 -3.655 -15.080 4.829 108 2HG ARG 53 3HG ARG 53 -2.435 -13.984 4.210 109 1HD ARG 53 2HD ARG 53 -3.785 -12.230 4.712 110 2HD ARG 53 3HD ARG 53 -4.951 -12.807 3.538 111 HE ARG 53 HE ARG 53 -5.233 -14.351 5.935 112 1HH1 ARG 53 2HH2 ARG 53 -5.816 -11.097 4.729 113 2HH1 ARG 53 1HH2 ARG 53 -7.119 -10.785 5.828 114 1HH2 ARG 53 2HH1 ARG 53 -6.952 -13.941 7.384 115 2HH2 ARG 53 1HH1 ARG 53 -7.770 -12.414 7.348 116 H MET 54 H MET 54 -1.376 -17.624 0.945 117 HA MET 54 HA MET 54 -3.807 -18.686 -0.202 118 1HB MET 54 2HB MET 54 -1.912 -16.998 -1.618 119 2HB MET 54 3HB MET 54 -1.779 -18.617 -2.276 120 1HG MET 54 2HG MET 54 -4.286 -18.663 -2.588 121 2HG MET 54 3HG MET 54 -4.369 -17.014 -2.001 122 1HE MET 54 1HE MET 54 -3.589 -19.065 -5.517 123 2HE MET 54 2HE MET 54 -5.037 -18.762 -4.526 124 3HE MET 54 3HE MET 54 -4.731 -17.780 -5.979 125 H LYS 55 H LYS 55 -0.214 -18.874 0.133 126 HA LYS 55 HA LYS 55 0.318 -21.348 -0.752 127 1HB LYS 55 2HB LYS 55 1.648 -19.462 0.717 128 2HB LYS 55 3HB LYS 55 1.516 -20.762 1.885 129 1HG LYS 55 2HG LYS 55 3.262 -21.776 0.854 130 2HG LYS 55 3HG LYS 55 2.214 -22.070 -0.519 131 1HD LYS 55 2HD LYS 55 2.822 -19.609 -1.229 132 2HD LYS 55 3HD LYS 55 4.147 -19.766 -0.092 133 1HE LYS 55 2HE LYS 55 5.044 -21.702 -1.292 134 2HE LYS 55 3HE LYS 55 3.629 -21.787 -2.322 135 1HZ LYS 55 1HZ LYS 55 5.003 -20.602 -3.629 136 2HZ LYS 55 2HZ LYS 55 4.353 -19.340 -2.822 137 3HZ LYS 55 3HZ LYS 55 5.824 -19.909 -2.398 138 H TRP 56 H TRP 56 -0.933 -20.580 2.572 139 HA TRP 56 HA TRP 56 -1.089 -23.069 3.599 140 1HB TRP 56 2HB TRP 56 -1.780 -21.597 5.138 141 2HB TRP 56 3HB TRP 56 -2.542 -20.544 3.962 142 HD1 TRP 56 HD1 TRP 56 -5.179 -20.703 3.796 143 HE1 TRP 56 HE1 TRP 56 -7.109 -22.136 4.884 144 HE3 TRP 56 HE3 TRP 56 -2.117 -24.107 6.007 145 HZ2 TRP 56 HZ2 TRP 56 -7.137 -24.481 6.510 146 HZ3 TRP 56 HZ3 TRP 56 -3.177 -25.936 7.328 147 HH2 TRP 56 HH2 TRP 56 -5.596 -26.156 7.597 148 H LYS 57 H LYS 57 -3.480 -21.445 1.403 149 HA LYS 57 HA LYS 57 -5.213 -22.252 0.273 150 1HB LYS 57 2HB LYS 57 -4.678 -23.939 -1.319 151 2HB LYS 57 3HB LYS 57 -3.219 -23.009 -1.039 152 1HG LYS 57 2HG LYS 57 -2.170 -24.739 0.158 153 2HG LYS 57 3HG LYS 57 -3.686 -25.458 0.664 154 1HD LYS 57 2HD LYS 57 -3.352 -26.969 -1.007 155 2HD LYS 57 3HD LYS 57 -3.848 -25.693 -2.101 156 1HE LYS 57 2HE LYS 57 -1.047 -25.319 -1.406 157 2HE LYS 57 3HE LYS 57 -1.289 -26.968 -1.948 158 1HZ LYS 57 1HZ LYS 57 -0.858 -25.253 -3.697 159 2HZ LYS 57 2HZ LYS 57 -2.148 -26.220 -3.962 160 3HZ LYS 57 3HZ LYS 57 -2.369 -24.688 -3.438 161 H LYS 58 H LYS 58 -6.108 -24.948 -0.218 162 HA LYS 58 HA LYS 58 -6.627 -25.948 2.475 163 1HB LYS 58 2HB LYS 58 -8.440 -24.293 1.344 164 2HB LYS 58 3HB LYS 58 -8.975 -25.812 0.657 165 1HG LYS 58 2HG LYS 58 -9.209 -26.821 2.871 166 2HG LYS 58 3HG LYS 58 -8.439 -25.445 3.638 167 1HD LYS 58 2HD LYS 58 -10.645 -24.844 3.997 168 2HD LYS 58 3HD LYS 58 -10.426 -24.094 2.428 169 1HE LYS 58 2HE LYS 58 -11.845 -25.563 1.386 170 2HE LYS 58 3HE LYS 58 -11.199 -26.948 2.241 171 1HZ LYS 58 1HZ LYS 58 -12.620 -25.219 3.968 172 2HZ LYS 58 2HZ LYS 58 -13.561 -25.732 2.737 173 3HZ LYS 58 3HZ LYS 58 -12.823 -26.817 3.709 Start of MODEL 13 1 H ARG 43 H ARG 43 -1.948 1.382 -3.274 2 HA ARG 43 HA ARG 43 -0.266 1.621 -1.048 3 1HB ARG 43 2HB ARG 43 -1.449 -0.099 0.396 4 2HB ARG 43 3HB ARG 43 -2.299 1.430 0.285 5 1HG ARG 43 2HG ARG 43 -3.455 0.191 -1.829 6 2HG ARG 43 3HG ARG 43 -3.017 -1.236 -0.911 7 1HD ARG 43 2HD ARG 43 -5.113 -0.798 0.015 8 2HD ARG 43 3HD ARG 43 -4.105 0.105 1.128 9 HE ARG 43 HE ARG 43 -5.006 1.644 -1.216 10 1HH1 ARG 43 2HH2 ARG 43 -5.682 0.725 2.113 11 2HH1 ARG 43 1HH2 ARG 43 -6.719 2.080 2.411 12 1HH2 ARG 43 2HH1 ARG 43 -6.375 3.431 -0.822 13 2HH2 ARG 43 1HH1 ARG 43 -7.116 3.630 0.730 14 H GLN 44 H GLN 44 0.713 -0.654 -0.501 15 HA GLN 44 HA GLN 44 0.266 -2.595 -2.566 16 1HB GLN 44 2HB GLN 44 2.346 -0.698 -2.875 17 2HB GLN 44 3HB GLN 44 3.148 -2.157 -2.331 18 1HG GLN 44 2HG GLN 44 2.097 -3.466 -4.143 19 2HG GLN 44 3HG GLN 44 1.154 -2.076 -4.644 20 1HE2 GLN 44 1HE2 GLN 44 2.405 -2.955 -6.631 21 2HE2 GLN 44 2HE2 GLN 44 3.876 -2.132 -7.025 22 H ILE 45 H ILE 45 0.073 -2.158 0.468 23 HA ILE 45 HA ILE 45 1.981 -4.198 1.337 24 HB ILE 45 HB ILE 45 2.205 -2.369 2.718 25 1HG1 ILE 45 2HG1 ILE 45 1.554 -4.632 3.849 26 2HG1 ILE 45 3HG1 ILE 45 1.715 -3.177 4.813 27 1HG2 ILE 45 1HG2 ILE 45 0.583 -0.843 2.132 28 2HG2 ILE 45 2HG2 ILE 45 -0.749 -2.002 2.351 29 3HG2 ILE 45 3HG2 ILE 45 0.062 -1.300 3.771 30 1HD1 ILE 45 1HD1 ILE 45 -0.545 -3.035 5.244 31 2HD1 ILE 45 2HD1 ILE 45 -0.996 -3.661 3.641 32 3HD1 ILE 45 3HD1 ILE 45 -0.473 -4.783 4.919 33 H LYS 46 H LYS 46 -0.998 -4.059 -0.058 34 HA LYS 46 HA LYS 46 -2.040 -6.220 1.636 35 1HB LYS 46 2HB LYS 46 -4.223 -5.568 1.090 36 2HB LYS 46 3HB LYS 46 -3.382 -4.064 1.411 37 1HG LYS 46 2HG LYS 46 -3.077 -3.657 -0.998 38 2HG LYS 46 3HG LYS 46 -3.744 -5.229 -1.389 39 1HD LYS 46 2HD LYS 46 -5.823 -4.281 0.067 40 2HD LYS 46 3HD LYS 46 -5.157 -2.744 -0.446 41 1HE LYS 46 2HE LYS 46 -5.149 -4.426 -2.762 42 2HE LYS 46 3HE LYS 46 -6.704 -4.665 -1.992 43 1HZ LYS 46 1HZ LYS 46 -6.426 -2.732 -3.587 44 2HZ LYS 46 2HZ LYS 46 -7.200 -2.439 -2.179 45 3HZ LYS 46 3HZ LYS 46 -5.648 -1.968 -2.371 46 H ILE 47 H ILE 47 -0.236 -5.663 -1.091 47 HA ILE 47 HA ILE 47 -1.584 -7.608 -2.762 48 HB ILE 47 HB ILE 47 -0.473 -6.700 -4.458 49 1HG1 ILE 47 2HG1 ILE 47 1.633 -7.814 -3.770 50 2HG1 ILE 47 3HG1 ILE 47 1.887 -6.273 -4.566 51 1HG2 ILE 47 1HG2 ILE 47 0.423 -4.547 -2.539 52 2HG2 ILE 47 2HG2 ILE 47 -0.052 -4.393 -4.248 53 3HG2 ILE 47 3HG2 ILE 47 -1.278 -4.766 -3.012 54 1HD1 ILE 47 1HD1 ILE 47 2.889 -7.053 -2.048 55 2HD1 ILE 47 2HD1 ILE 47 2.926 -5.415 -2.743 56 3HD1 ILE 47 3HD1 ILE 47 1.585 -5.900 -1.679 57 H TRP 48 H TRP 48 1.107 -7.329 -0.469 58 HA TRP 48 HA TRP 48 2.185 -9.895 -1.251 59 1HB TRP 48 2HB TRP 48 3.237 -7.614 -0.096 60 2HB TRP 48 3HB TRP 48 3.132 -8.726 1.254 61 HD1 TRP 48 HD1 TRP 48 5.404 -7.879 -1.537 62 HE1 TRP 48 HE1 TRP 48 7.309 -9.662 -1.929 63 HE3 TRP 48 HE3 TRP 48 3.306 -11.520 1.324 64 HZ2 TRP 48 HZ2 TRP 48 7.715 -12.335 -1.019 65 HZ3 TRP 48 HZ3 TRP 48 4.522 -13.688 1.521 66 HH2 TRP 48 HH2 TRP 48 6.652 -14.124 0.407 67 H PHE 49 H PHE 49 0.176 -8.361 1.304 68 HA PHE 49 HA PHE 49 0.118 -10.554 3.034 69 1HB PHE 49 2HB PHE 49 -1.616 -8.128 2.380 70 2HB PHE 49 3HB PHE 49 -2.212 -9.292 3.545 71 HD1 PHE 49 HD1 PHE 49 1.318 -8.244 3.096 72 HD2 PHE 49 HD2 PHE 49 -2.161 -8.016 5.515 73 HE1 PHE 49 HE1 PHE 49 2.648 -7.118 4.901 74 HE2 PHE 49 HE2 PHE 49 -0.830 -6.889 7.322 75 HZ PHE 49 HZ PHE 49 1.558 -6.454 6.993 76 H GLN 50 H GLN 50 -1.529 -9.876 -0.015 77 HA GLN 50 HA GLN 50 -3.620 -11.734 0.487 78 1HB GLN 50 2HB GLN 50 -4.227 -10.003 -0.994 79 2HB GLN 50 3HB GLN 50 -2.717 -10.084 -1.878 80 1HG GLN 50 2HG GLN 50 -4.268 -12.615 -1.955 81 2HG GLN 50 3HG GLN 50 -5.109 -11.258 -2.677 82 1HE2 GLN 50 1HE2 GLN 50 -2.814 -13.658 -3.098 83 2HE2 GLN 50 2HE2 GLN 50 -2.080 -13.132 -4.577 84 H ASN 51 H ASN 51 -0.386 -11.747 -1.003 85 HA ASN 51 HA ASN 51 -0.672 -14.095 -2.442 86 1HB ASN 51 2HB ASN 51 1.640 -12.513 -1.304 87 2HB ASN 51 3HB ASN 51 1.980 -14.137 -1.870 88 1HD2 ASN 51 1HD2 ASN 51 2.896 -14.011 -3.769 89 2HD2 ASN 51 2HD2 ASN 51 2.376 -13.065 -5.124 90 H ARG 52 H ARG 52 0.395 -13.341 0.934 91 HA ARG 52 HA ARG 52 1.096 -15.988 1.526 92 1HB ARG 52 2HB ARG 52 0.925 -13.392 2.932 93 2HB ARG 52 3HB ARG 52 0.494 -14.733 3.975 94 1HG ARG 52 2HG ARG 52 2.772 -15.643 2.560 95 2HG ARG 52 3HG ARG 52 3.129 -13.967 2.928 96 1HD ARG 52 2HD ARG 52 2.061 -14.821 5.338 97 2HD ARG 52 3HD ARG 52 2.838 -16.288 4.776 98 HE ARG 52 HE ARG 52 4.778 -14.373 4.333 99 1HH1 ARG 52 2HH2 ARG 52 2.853 -15.255 7.144 100 2HH1 ARG 52 1HH2 ARG 52 4.062 -14.770 8.284 101 1HH2 ARG 52 2HH1 ARG 52 6.375 -13.734 5.838 102 2HH2 ARG 52 1HH1 ARG 52 6.079 -13.899 7.537 103 H ARG 53 H ARG 53 -1.917 -14.208 1.372 104 HA ARG 53 HA ARG 53 -3.293 -15.808 3.242 105 1HB ARG 53 2HB ARG 53 -3.820 -13.385 2.223 106 2HB ARG 53 3HB ARG 53 -4.698 -14.306 1.019 107 1HG ARG 53 2HG ARG 53 -5.525 -15.496 3.408 108 2HG ARG 53 3HG ARG 53 -5.362 -13.811 3.863 109 1HD ARG 53 2HD ARG 53 -6.670 -14.050 1.249 110 2HD ARG 53 3HD ARG 53 -7.522 -14.997 2.452 111 HE ARG 53 HE ARG 53 -6.802 -12.301 3.368 112 1HH1 ARG 53 2HH2 ARG 53 -9.230 -14.255 1.734 113 2HH1 ARG 53 1HH2 ARG 53 -10.523 -13.151 2.062 114 1HH2 ARG 53 2HH1 ARG 53 -8.508 -10.844 3.801 115 2HH2 ARG 53 1HH1 ARG 53 -10.110 -11.198 3.246 116 H MET 54 H MET 54 -2.346 -16.100 -0.114 117 HA MET 54 HA MET 54 -4.117 -18.410 -0.341 118 1HB MET 54 2HB MET 54 -4.302 -16.150 -1.887 119 2HB MET 54 3HB MET 54 -3.101 -17.022 -2.819 120 1HG MET 54 2HG MET 54 -5.406 -18.699 -1.963 121 2HG MET 54 3HG MET 54 -5.846 -17.384 -3.034 122 1HE MET 54 1HE MET 54 -6.356 -19.961 -4.915 123 2HE MET 54 2HE MET 54 -5.096 -21.156 -4.525 124 3HE MET 54 3HE MET 54 -6.031 -20.389 -3.219 125 H LYS 55 H LYS 55 -1.803 -18.972 0.864 126 HA LYS 55 HA LYS 55 -0.427 -20.528 -1.109 127 1HB LYS 55 2HB LYS 55 0.707 -18.351 -1.360 128 2HB LYS 55 3HB LYS 55 1.090 -18.343 0.349 129 1HG LYS 55 2HG LYS 55 2.353 -20.503 0.052 130 2HG LYS 55 3HG LYS 55 2.009 -20.449 -1.666 131 1HD LYS 55 2HD LYS 55 3.488 -18.239 -0.162 132 2HD LYS 55 3HD LYS 55 4.293 -19.537 -1.020 133 1HE LYS 55 2HE LYS 55 2.381 -18.469 -2.852 134 2HE LYS 55 3HE LYS 55 3.131 -17.083 -2.087 135 1HZ LYS 55 1HZ LYS 55 4.198 -18.541 -4.079 136 2HZ LYS 55 2HZ LYS 55 5.021 -17.498 -3.130 137 3HZ LYS 55 3HZ LYS 55 5.012 -19.093 -2.777 138 H TRP 56 H TRP 56 -0.537 -19.225 2.260 139 HA TRP 56 HA TRP 56 0.887 -21.092 3.588 140 1HB TRP 56 2HB TRP 56 0.133 -19.576 5.050 141 2HB TRP 56 3HB TRP 56 -1.384 -19.339 4.205 142 HD1 TRP 56 HD1 TRP 56 -3.485 -20.824 5.039 143 HE1 TRP 56 HE1 TRP 56 -4.004 -22.323 7.147 144 HE3 TRP 56 HE3 TRP 56 1.332 -21.175 6.632 145 HZ2 TRP 56 HZ2 TRP 56 -2.379 -23.462 9.199 146 HZ3 TRP 56 HZ3 TRP 56 1.779 -22.498 8.695 147 HH2 TRP 56 HH2 TRP 56 0.017 -23.619 9.967 148 H LYS 57 H LYS 57 -2.613 -21.317 2.623 149 HA LYS 57 HA LYS 57 -3.245 -23.737 3.615 150 1HB LYS 57 2HB LYS 57 -4.732 -22.181 2.352 151 2HB LYS 57 3HB LYS 57 -4.003 -22.730 0.857 152 1HG LYS 57 2HG LYS 57 -4.770 -25.048 2.427 153 2HG LYS 57 3HG LYS 57 -6.138 -23.955 2.330 154 1HD LYS 57 2HD LYS 57 -4.518 -24.781 -0.119 155 2HD LYS 57 3HD LYS 57 -5.924 -25.672 0.426 156 1HE LYS 57 2HE LYS 57 -6.290 -22.711 0.141 157 2HE LYS 57 3HE LYS 57 -6.049 -23.596 -1.353 158 1HZ LYS 57 1HZ LYS 57 -7.832 -25.096 -0.606 159 2HZ LYS 57 2HZ LYS 57 -8.111 -24.118 0.671 160 3HZ LYS 57 3HZ LYS 57 -8.341 -23.564 -0.849 161 H LYS 58 H LYS 58 -2.707 -25.859 3.316 162 HA LYS 58 HA LYS 58 -0.534 -26.351 1.458 163 1HB LYS 58 2HB LYS 58 -0.244 -27.097 3.746 164 2HB LYS 58 3HB LYS 58 -1.741 -28.007 3.692 165 1HG LYS 58 2HG LYS 58 -0.246 -29.717 3.205 166 2HG LYS 58 3HG LYS 58 -0.594 -29.173 1.576 167 1HD LYS 58 2HD LYS 58 1.442 -27.844 1.489 168 2HD LYS 58 3HD LYS 58 1.729 -28.054 3.204 169 1HE LYS 58 2HE LYS 58 1.555 -30.486 1.397 170 2HE LYS 58 3HE LYS 58 3.041 -29.560 1.471 171 1HZ LYS 58 1HZ LYS 58 1.732 -31.059 3.595 172 2HZ LYS 58 2HZ LYS 58 3.299 -31.080 3.134 173 3HZ LYS 58 3HZ LYS 58 2.716 -29.815 3.986 Start of MODEL 14 1 H ARG 43 H ARG 43 -1.892 -0.437 -1.087 2 HA ARG 43 HA ARG 43 -0.559 0.525 -2.581 3 1HB ARG 43 2HB ARG 43 1.016 1.201 -0.132 4 2HB ARG 43 3HB ARG 43 1.978 1.008 -1.584 5 1HG ARG 43 2HG ARG 43 0.427 2.620 -2.772 6 2HG ARG 43 3HG ARG 43 -0.427 2.866 -1.262 7 1HD ARG 43 2HD ARG 43 2.518 3.194 -1.026 8 2HD ARG 43 3HD ARG 43 1.771 4.344 -2.115 9 HE ARG 43 HE ARG 43 0.094 4.401 0.085 10 1HH1 ARG 43 2HH2 ARG 43 3.567 4.789 -0.333 11 2HH1 ARG 43 1HH2 ARG 43 3.742 5.848 1.028 12 1HH2 ARG 43 2HH1 ARG 43 0.323 5.799 1.878 13 2HH2 ARG 43 1HH1 ARG 43 1.884 6.426 2.293 14 H GLN 44 H GLN 44 1.378 -1.350 -0.125 15 HA GLN 44 HA GLN 44 1.731 -3.408 -2.106 16 1HB GLN 44 2HB GLN 44 3.675 -1.671 -2.222 17 2HB GLN 44 3HB GLN 44 4.188 -2.333 -0.683 18 1HG GLN 44 2HG GLN 44 4.116 -4.658 -1.793 19 2HG GLN 44 3HG GLN 44 3.895 -3.833 -3.323 20 1HE2 GLN 44 1HE2 GLN 44 5.692 -3.801 -4.422 21 2HE2 GLN 44 2HE2 GLN 44 7.287 -3.475 -3.827 22 H ILE 45 H ILE 45 0.397 -2.831 0.615 23 HA ILE 45 HA ILE 45 1.682 -5.042 2.064 24 HB ILE 45 HB ILE 45 0.687 -2.397 2.949 25 1HG1 ILE 45 2HG1 ILE 45 2.508 -3.557 4.765 26 2HG1 ILE 45 3HG1 ILE 45 3.057 -4.044 3.174 27 1HG2 ILE 45 1HG2 ILE 45 0.184 -3.223 5.219 28 2HG2 ILE 45 2HG2 ILE 45 -0.971 -3.815 4.002 29 3HG2 ILE 45 3HG2 ILE 45 0.301 -4.895 4.620 30 1HD1 ILE 45 1HD1 ILE 45 3.758 -1.683 4.237 31 2HD1 ILE 45 2HD1 ILE 45 3.484 -1.865 2.488 32 3HD1 ILE 45 3HD1 ILE 45 2.207 -1.178 3.521 33 H LYS 46 H LYS 46 -0.919 -4.107 0.147 34 HA LYS 46 HA LYS 46 -2.692 -6.010 1.514 35 1HB LYS 46 2HB LYS 46 -4.561 -4.816 0.663 36 2HB LYS 46 3HB LYS 46 -3.486 -3.632 1.379 37 1HG LYS 46 2HG LYS 46 -3.360 -2.526 -0.593 38 2HG LYS 46 3HG LYS 46 -2.679 -3.946 -1.363 39 1HD LYS 46 2HD LYS 46 -5.212 -4.779 -1.402 40 2HD LYS 46 3HD LYS 46 -5.575 -3.074 -1.218 41 1HE LYS 46 2HE LYS 46 -3.550 -3.818 -3.317 42 2HE LYS 46 3HE LYS 46 -5.221 -4.230 -3.644 43 1HZ LYS 46 1HZ LYS 46 -4.845 -2.071 -4.439 44 2HZ LYS 46 2HZ LYS 46 -5.751 -1.888 -3.092 45 3HZ LYS 46 3HZ LYS 46 -4.151 -1.565 -3.049 46 H ILE 47 H ILE 47 -0.440 -5.771 -0.911 47 HA ILE 47 HA ILE 47 -1.968 -7.573 -2.655 48 HB ILE 47 HB ILE 47 -0.026 -6.890 -4.268 49 1HG1 ILE 47 2HG1 ILE 47 0.653 -4.522 -3.947 50 2HG1 ILE 47 3HG1 ILE 47 -0.086 -4.535 -2.359 51 1HG2 ILE 47 1HG2 ILE 47 -1.756 -4.596 -4.241 52 2HG2 ILE 47 2HG2 ILE 47 -1.734 -5.985 -5.353 53 3HG2 ILE 47 3HG2 ILE 47 -2.692 -6.060 -3.855 54 1HD1 ILE 47 1HD1 ILE 47 2.543 -5.249 -2.917 55 2HD1 ILE 47 2HD1 ILE 47 1.658 -5.668 -1.431 56 3HD1 ILE 47 3HD1 ILE 47 1.731 -6.826 -2.780 57 H TRP 48 H TRP 48 0.796 -7.136 -0.527 58 HA TRP 48 HA TRP 48 2.069 -9.558 -1.481 59 1HB TRP 48 2HB TRP 48 3.007 -7.228 -0.363 60 2HB TRP 48 3HB TRP 48 3.049 -8.332 0.998 61 HD1 TRP 48 HD1 TRP 48 5.034 -7.416 -2.029 62 HE1 TRP 48 HE1 TRP 48 7.078 -9.030 -2.452 63 HE3 TRP 48 HE3 TRP 48 3.552 -11.006 1.252 64 HZ2 TRP 48 HZ2 TRP 48 7.830 -11.570 -1.391 65 HZ3 TRP 48 HZ3 TRP 48 4.999 -13.022 1.499 66 HH2 TRP 48 HH2 TRP 48 7.072 -13.335 0.243 67 H PHE 49 H PHE 49 -0.104 -8.343 1.058 68 HA PHE 49 HA PHE 49 0.215 -10.505 2.829 69 1HB PHE 49 2HB PHE 49 -1.260 -9.149 4.006 70 2HB PHE 49 3HB PHE 49 -1.103 -8.024 2.672 71 HD1 PHE 49 HD1 PHE 49 -2.759 -8.256 0.727 72 HD2 PHE 49 HD2 PHE 49 -3.329 -10.128 4.492 73 HE1 PHE 49 HE1 PHE 49 -5.208 -8.494 0.238 74 HE2 PHE 49 HE2 PHE 49 -5.779 -10.366 4.003 75 HZ PHE 49 HZ PHE 49 -6.690 -9.546 1.881 76 H GLN 50 H GLN 50 -1.945 -9.872 0.023 77 HA GLN 50 HA GLN 50 -3.525 -12.155 0.533 78 1HB GLN 50 2HB GLN 50 -4.625 -11.620 -1.550 79 2HB GLN 50 3HB GLN 50 -4.279 -10.107 -0.738 80 1HG GLN 50 2HG GLN 50 -2.995 -9.398 -2.469 81 2HG GLN 50 3HG GLN 50 -1.996 -10.834 -2.379 82 1HE2 GLN 50 1HE2 GLN 50 -2.073 -12.252 -3.961 83 2HE2 GLN 50 2HE2 GLN 50 -3.268 -12.347 -5.213 84 H ASN 51 H ASN 51 -0.337 -11.774 -0.532 85 HA ASN 51 HA ASN 51 -0.439 -13.938 -2.416 86 1HB ASN 51 2HB ASN 51 1.689 -12.027 -1.405 87 2HB ASN 51 3HB ASN 51 2.203 -13.509 -2.188 88 1HD2 ASN 51 1HD2 ASN 51 2.457 -10.715 -3.010 89 2HD2 ASN 51 2HD2 ASN 51 1.729 -10.568 -4.575 90 H ARG 52 H ARG 52 0.786 -13.113 0.883 91 HA ARG 52 HA ARG 52 1.996 -15.640 1.236 92 1HB ARG 52 2HB ARG 52 2.322 -13.222 2.442 93 2HB ARG 52 3HB ARG 52 1.233 -13.948 3.607 94 1HG ARG 52 2HG ARG 52 2.791 -15.494 4.318 95 2HG ARG 52 3HG ARG 52 3.460 -15.721 2.714 96 1HD ARG 52 2HD ARG 52 5.125 -14.215 3.103 97 2HD ARG 52 3HD ARG 52 3.990 -12.999 3.655 98 HE ARG 52 HE ARG 52 4.068 -14.720 5.797 99 1HH1 ARG 52 2HH2 ARG 52 6.591 -13.143 3.919 100 2HH1 ARG 52 1HH2 ARG 52 7.709 -13.074 5.240 101 1HH2 ARG 52 2HH1 ARG 52 5.543 -14.630 7.540 102 2HH2 ARG 52 1HH1 ARG 52 7.109 -13.926 7.314 103 H ARG 53 H ARG 53 -1.221 -14.314 1.552 104 HA ARG 53 HA ARG 53 -1.980 -16.594 3.189 105 1HB ARG 53 2HB ARG 53 -3.018 -13.784 2.922 106 2HB ARG 53 3HB ARG 53 -4.220 -15.028 3.209 107 1HG ARG 53 2HG ARG 53 -2.606 -15.827 5.131 108 2HG ARG 53 3HG ARG 53 -1.866 -14.247 4.963 109 1HD ARG 53 2HD ARG 53 -4.102 -13.168 5.337 110 2HD ARG 53 3HD ARG 53 -4.831 -14.751 5.522 111 HE ARG 53 HE ARG 53 -3.892 -14.925 7.670 112 1HH1 ARG 53 2HH2 ARG 53 -2.393 -12.253 5.937 113 2HH1 ARG 53 1HH2 ARG 53 -1.558 -11.651 7.331 114 1HH2 ARG 53 2HH1 ARG 53 -2.791 -14.130 9.509 115 2HH2 ARG 53 1HH1 ARG 53 -1.786 -12.726 9.375 116 H MET 54 H MET 54 -1.425 -16.815 0.332 117 HA MET 54 HA MET 54 -4.139 -17.177 -0.680 118 1HB MET 54 2HB MET 54 -1.875 -15.829 -1.779 119 2HB MET 54 3HB MET 54 -1.985 -17.323 -2.688 120 1HG MET 54 2HG MET 54 -4.643 -16.134 -2.328 121 2HG MET 54 3HG MET 54 -3.545 -14.985 -3.067 122 1HE MET 54 1HE MET 54 -5.040 -18.916 -3.949 123 2HE MET 54 2HE MET 54 -5.834 -17.485 -3.250 124 3HE MET 54 3HE MET 54 -5.986 -17.827 -4.990 125 H LYS 55 H LYS 55 -1.132 -18.696 0.241 126 HA LYS 55 HA LYS 55 -2.043 -21.194 -1.008 127 1HB LYS 55 2HB LYS 55 0.420 -19.882 -1.263 128 2HB LYS 55 3HB LYS 55 0.735 -21.187 -0.138 129 1HG LYS 55 2HG LYS 55 -0.153 -22.848 -1.697 130 2HG LYS 55 3HG LYS 55 -0.746 -21.600 -2.774 131 1HD LYS 55 2HD LYS 55 1.936 -20.919 -2.572 132 2HD LYS 55 3HD LYS 55 2.013 -22.666 -2.453 133 1HE LYS 55 2HE LYS 55 2.165 -22.099 -4.806 134 2HE LYS 55 3HE LYS 55 0.589 -22.821 -4.549 135 1HZ LYS 55 1HZ LYS 55 0.624 -20.720 -5.846 136 2HZ LYS 55 2HZ LYS 55 -0.409 -20.718 -4.581 137 3HZ LYS 55 3HZ LYS 55 1.012 -19.921 -4.476 138 H TRP 56 H TRP 56 -3.367 -20.416 1.276 139 HA TRP 56 HA TRP 56 -2.222 -22.282 3.228 140 1HB TRP 56 2HB TRP 56 -2.416 -19.480 3.562 141 2HB TRP 56 3HB TRP 56 -3.679 -20.189 4.548 142 HD1 TRP 56 HD1 TRP 56 0.162 -20.770 4.035 143 HE1 TRP 56 HE1 TRP 56 1.311 -21.395 6.326 144 HE3 TRP 56 HE3 TRP 56 -4.118 -20.780 6.780 145 HZ2 TRP 56 HZ2 TRP 56 0.323 -21.813 8.971 146 HZ3 TRP 56 HZ3 TRP 56 -3.938 -21.307 9.210 147 HH2 TRP 56 HH2 TRP 56 -1.814 -21.812 10.309 148 H LYS 57 H LYS 57 -5.081 -20.345 2.110 149 HA LYS 57 HA LYS 57 -6.767 -22.592 2.968 150 1HB LYS 57 2HB LYS 57 -7.256 -20.518 4.152 151 2HB LYS 57 3HB LYS 57 -7.435 -19.652 2.638 152 1HG LYS 57 2HG LYS 57 -9.573 -20.381 2.370 153 2HG LYS 57 3HG LYS 57 -9.113 -22.049 2.640 154 1HD LYS 57 2HD LYS 57 -9.102 -20.334 5.084 155 2HD LYS 57 3HD LYS 57 -10.680 -20.576 4.360 156 1HE LYS 57 2HE LYS 57 -10.711 -22.533 5.540 157 2HE LYS 57 3HE LYS 57 -9.671 -23.147 4.272 158 1HZ LYS 57 1HZ LYS 57 -8.383 -21.689 6.404 159 2HZ LYS 57 2HZ LYS 57 -8.977 -23.161 6.784 160 3HZ LYS 57 3HZ LYS 57 -7.874 -23.010 5.590 161 H LYS 58 H LYS 58 -7.121 -23.945 1.285 162 HA LYS 58 HA LYS 58 -6.841 -23.166 -1.386 163 1HB LYS 58 2HB LYS 58 -7.822 -25.575 0.080 164 2HB LYS 58 3HB LYS 58 -8.261 -25.425 -1.609 165 1HG LYS 58 2HG LYS 58 -5.701 -24.853 -1.963 166 2HG LYS 58 3HG LYS 58 -5.490 -25.589 -0.387 167 1HD LYS 58 2HD LYS 58 -6.932 -27.566 -1.407 168 2HD LYS 58 3HD LYS 58 -6.485 -26.866 -2.950 169 1HE LYS 58 2HE LYS 58 -4.059 -26.923 -1.513 170 2HE LYS 58 3HE LYS 58 -4.844 -28.424 -1.065 171 1HZ LYS 58 1HZ LYS 58 -5.037 -27.842 -3.846 172 2HZ LYS 58 2HZ LYS 58 -3.495 -28.011 -3.338 173 3HZ LYS 58 3HZ LYS 58 -4.569 -29.218 -3.102 Start of MODEL 15 1 H ARG 43 H ARG 43 2.384 1.602 -2.886 2 HA ARG 43 HA ARG 43 2.153 0.658 -0.921 3 1HB ARG 43 2HB ARG 43 -0.611 -0.048 -1.959 4 2HB ARG 43 3HB ARG 43 -0.019 -0.827 -0.506 5 1HG ARG 43 2HG ARG 43 -0.206 1.083 0.755 6 2HG ARG 43 3HG ARG 43 0.413 2.109 -0.523 7 1HD ARG 43 2HD ARG 43 -1.794 2.017 -1.686 8 2HD ARG 43 3HD ARG 43 -2.418 0.953 -0.441 9 HE ARG 43 HE ARG 43 -1.317 3.488 0.574 10 1HH1 ARG 43 2HH2 ARG 43 -4.186 1.801 -0.569 11 2HH1 ARG 43 1HH2 ARG 43 -5.289 2.887 0.207 12 1HH2 ARG 43 2HH1 ARG 43 -2.773 4.922 1.597 13 2HH2 ARG 43 1HH1 ARG 43 -4.480 4.674 1.448 14 H GLN 44 H GLN 44 2.229 -1.679 0.021 15 HA GLN 44 HA GLN 44 2.279 -3.753 -1.931 16 1HB GLN 44 2HB GLN 44 4.762 -2.385 -1.108 17 2HB GLN 44 3HB GLN 44 4.824 -4.115 -0.838 18 1HG GLN 44 2HG GLN 44 4.744 -4.618 -3.093 19 2HG GLN 44 3HG GLN 44 3.662 -3.291 -3.464 20 1HE2 GLN 44 1HE2 GLN 44 5.185 -3.160 -5.302 21 2HE2 GLN 44 2HE2 GLN 44 6.593 -2.163 -5.152 22 H ILE 45 H ILE 45 0.882 -3.021 0.598 23 HA ILE 45 HA ILE 45 1.804 -5.273 2.244 24 HB ILE 45 HB ILE 45 0.965 -2.517 2.930 25 1HG1 ILE 45 2HG1 ILE 45 2.500 -3.662 4.965 26 2HG1 ILE 45 3HG1 ILE 45 3.132 -4.384 3.498 27 1HG2 ILE 45 1HG2 ILE 45 -0.898 -3.749 3.869 28 2HG2 ILE 45 2HG2 ILE 45 0.215 -4.903 4.642 29 3HG2 ILE 45 3HG2 ILE 45 0.187 -3.203 5.170 30 1HD1 ILE 45 1HD1 ILE 45 2.584 -1.430 3.425 31 2HD1 ILE 45 2HD1 ILE 45 3.977 -1.984 4.386 32 3HD1 ILE 45 3HD1 ILE 45 3.886 -2.363 2.649 33 H LYS 46 H LYS 46 -0.507 -4.179 0.050 34 HA LYS 46 HA LYS 46 -2.566 -5.871 1.287 35 1HB LYS 46 2HB LYS 46 -4.214 -4.568 0.065 36 2HB LYS 46 3HB LYS 46 -3.242 -3.527 1.085 37 1HG LYS 46 2HG LYS 46 -2.814 -2.270 -0.756 38 2HG LYS 46 3HG LYS 46 -1.811 -3.584 -1.335 39 1HD LYS 46 2HD LYS 46 -3.774 -4.613 -2.469 40 2HD LYS 46 3HD LYS 46 -4.812 -3.342 -1.853 41 1HE LYS 46 2HE LYS 46 -3.093 -1.711 -3.038 42 2HE LYS 46 3HE LYS 46 -2.617 -3.138 -3.936 43 1HZ LYS 46 1HZ LYS 46 -5.352 -3.119 -3.958 44 2HZ LYS 46 2HZ LYS 46 -4.920 -1.570 -4.240 45 3HZ LYS 46 3HZ LYS 46 -4.359 -2.762 -5.205 46 H ILE 47 H ILE 47 -0.084 -5.911 -0.917 47 HA ILE 47 HA ILE 47 -1.596 -7.639 -2.751 48 HB ILE 47 HB ILE 47 0.529 -7.178 -4.196 49 1HG1 ILE 47 2HG1 ILE 47 1.391 -4.868 -3.873 50 2HG1 ILE 47 3HG1 ILE 47 0.524 -4.770 -2.352 51 1HG2 ILE 47 1HG2 ILE 47 -2.023 -5.773 -3.858 52 2HG2 ILE 47 2HG2 ILE 47 -0.775 -4.811 -4.687 53 3HG2 ILE 47 3HG2 ILE 47 -1.238 -6.408 -5.325 54 1HD1 ILE 47 1HD1 ILE 47 2.077 -6.023 -1.255 55 2HD1 ILE 47 2HD1 ILE 47 2.152 -7.225 -2.566 56 3HD1 ILE 47 3HD1 ILE 47 3.116 -5.732 -2.671 57 H TRP 48 H TRP 48 0.993 -7.357 -0.387 58 HA TRP 48 HA TRP 48 2.138 -9.906 -1.151 59 1HB TRP 48 2HB TRP 48 3.000 -7.585 0.280 60 2HB TRP 48 3HB TRP 48 3.134 -8.973 1.341 61 HD1 TRP 48 HD1 TRP 48 5.501 -7.254 -0.477 62 HE1 TRP 48 HE1 TRP 48 7.375 -8.657 -1.697 63 HE3 TRP 48 HE3 TRP 48 2.978 -11.668 -0.404 64 HZ2 TRP 48 HZ2 TRP 48 7.586 -11.394 -2.477 65 HZ3 TRP 48 HZ3 TRP 48 4.090 -13.657 -1.417 66 HH2 TRP 48 HH2 TRP 48 6.313 -13.570 -2.427 67 H PHE 49 H PHE 49 -0.149 -8.434 1.143 68 HA PHE 49 HA PHE 49 -0.185 -10.549 2.992 69 1HB PHE 49 2HB PHE 49 -1.663 -9.049 3.973 70 2HB PHE 49 3HB PHE 49 -1.276 -7.984 2.638 71 HD1 PHE 49 HD1 PHE 49 -2.730 -8.162 0.526 72 HD2 PHE 49 HD2 PHE 49 -3.848 -9.827 4.266 73 HE1 PHE 49 HE1 PHE 49 -5.127 -8.220 -0.216 74 HE2 PHE 49 HE2 PHE 49 -6.245 -9.885 3.524 75 HZ PHE 49 HZ PHE 49 -6.856 -9.081 1.292 76 H GLN 50 H GLN 50 -1.991 -9.866 -0.042 77 HA GLN 50 HA GLN 50 -3.771 -12.027 0.383 78 1HB GLN 50 2HB GLN 50 -4.453 -11.539 -2.001 79 2HB GLN 50 3HB GLN 50 -4.539 -10.153 -0.932 80 1HG GLN 50 2HG GLN 50 -2.642 -9.122 -1.878 81 2HG GLN 50 3HG GLN 50 -1.973 -10.635 -2.454 82 1HE2 GLN 50 1HE2 GLN 50 -1.723 -10.120 -4.548 83 2HE2 GLN 50 2HE2 GLN 50 -3.010 -9.779 -5.656 84 H ASN 51 H ASN 51 -0.546 -11.616 -0.930 85 HA ASN 51 HA ASN 51 -0.661 -13.934 -2.559 86 1HB ASN 51 2HB ASN 51 1.465 -11.975 -1.672 87 2HB ASN 51 3HB ASN 51 2.003 -13.522 -2.294 88 1HD2 ASN 51 1HD2 ASN 51 2.221 -10.779 -3.354 89 2HD2 ASN 51 2HD2 ASN 51 1.553 -10.804 -4.952 90 H ARG 52 H ARG 52 0.182 -13.042 0.784 91 HA ARG 52 HA ARG 52 1.405 -15.611 1.226 92 1HB ARG 52 2HB ARG 52 2.296 -13.390 2.196 93 2HB ARG 52 3HB ARG 52 0.908 -13.390 3.265 94 1HG ARG 52 2HG ARG 52 2.223 -14.603 4.682 95 2HG ARG 52 3HG ARG 52 1.859 -15.960 3.636 96 1HD ARG 52 2HD ARG 52 4.029 -16.102 2.979 97 2HD ARG 52 3HD ARG 52 4.018 -14.435 2.441 98 HE ARG 52 HE ARG 52 4.229 -14.137 5.159 99 1HH1 ARG 52 2HH2 ARG 52 5.999 -16.124 2.857 100 2HH1 ARG 52 1HH2 ARG 52 7.467 -16.108 3.777 101 1HH2 ARG 52 2HH1 ARG 52 6.165 -14.114 6.373 102 2HH2 ARG 52 1HH1 ARG 52 7.561 -14.957 5.791 103 H ARG 53 H ARG 53 -1.692 -14.162 1.282 104 HA ARG 53 HA ARG 53 -2.587 -15.964 3.375 105 1HB ARG 53 2HB ARG 53 -3.157 -13.463 3.477 106 2HB ARG 53 3HB ARG 53 -4.149 -13.693 2.051 107 1HG ARG 53 2HG ARG 53 -5.072 -15.741 3.661 108 2HG ARG 53 3HG ARG 53 -4.653 -14.538 4.865 109 1HD ARG 53 2HD ARG 53 -6.112 -13.431 2.518 110 2HD ARG 53 3HD ARG 53 -7.037 -14.598 3.441 111 HE ARG 53 HE ARG 53 -5.737 -12.729 5.220 112 1HH1 ARG 53 2HH2 ARG 53 -8.444 -13.008 2.989 113 2HH1 ARG 53 1HH2 ARG 53 -9.387 -11.790 3.781 114 1HH2 ARG 53 2HH1 ARG 53 -6.981 -11.121 6.265 115 2HH2 ARG 53 1HH1 ARG 53 -8.549 -10.709 5.656 116 H MET 54 H MET 54 -2.124 -17.631 1.486 117 HA MET 54 HA MET 54 -4.403 -18.754 0.685 118 1HB MET 54 2HB MET 54 -3.862 -16.386 -0.922 119 2HB MET 54 3HB MET 54 -3.706 -17.793 -1.955 120 1HG MET 54 2HG MET 54 -6.001 -18.490 -0.682 121 2HG MET 54 3HG MET 54 -6.134 -16.749 -0.518 122 1HE MET 54 1HE MET 54 -6.882 -19.270 -4.149 123 2HE MET 54 2HE MET 54 -6.006 -19.792 -2.690 124 3HE MET 54 3HE MET 54 -7.700 -19.259 -2.568 125 H LYS 55 H LYS 55 -1.038 -17.924 -0.039 126 HA LYS 55 HA LYS 55 -0.519 -20.074 -1.783 127 1HB LYS 55 2HB LYS 55 0.806 -17.826 -1.093 128 2HB LYS 55 3HB LYS 55 1.662 -18.974 -0.083 129 1HG LYS 55 2HG LYS 55 1.221 -20.052 -2.782 130 2HG LYS 55 3HG LYS 55 2.072 -18.522 -2.841 131 1HD LYS 55 2HD LYS 55 2.954 -20.629 -0.852 132 2HD LYS 55 3HD LYS 55 3.421 -20.791 -2.533 133 1HE LYS 55 2HE LYS 55 3.898 -18.235 -0.935 134 2HE LYS 55 3HE LYS 55 5.075 -19.530 -1.017 135 1HZ LYS 55 1HZ LYS 55 5.399 -17.804 -2.691 136 2HZ LYS 55 2HZ LYS 55 5.177 -19.275 -3.366 137 3HZ LYS 55 3HZ LYS 55 3.965 -18.179 -3.377 138 H TRP 56 H TRP 56 -0.931 -19.787 1.695 139 HA TRP 56 HA TRP 56 -0.140 -22.609 1.922 140 1HB TRP 56 2HB TRP 56 0.749 -22.216 4.101 141 2HB TRP 56 3HB TRP 56 1.543 -21.148 2.960 142 HD1 TRP 56 HD1 TRP 56 0.190 -18.511 2.937 143 HE1 TRP 56 HE1 TRP 56 -0.430 -16.987 5.000 144 HE3 TRP 56 HE3 TRP 56 0.252 -22.248 6.385 145 HZ2 TRP 56 HZ2 TRP 56 -0.815 -17.504 7.780 146 HZ3 TRP 56 HZ3 TRP 56 -0.257 -21.652 8.751 147 HH2 TRP 56 HH2 TRP 56 -0.777 -19.375 9.469 148 H LYS 57 H LYS 57 -2.610 -22.438 1.169 149 HA LYS 57 HA LYS 57 -4.155 -23.284 3.293 150 1HB LYS 57 2HB LYS 57 -3.975 -20.421 3.194 151 2HB LYS 57 3HB LYS 57 -5.608 -20.891 2.769 152 1HG LYS 57 2HG LYS 57 -5.653 -22.393 4.816 153 2HG LYS 57 3HG LYS 57 -4.076 -21.769 5.261 154 1HD LYS 57 2HD LYS 57 -6.038 -19.633 4.651 155 2HD LYS 57 3HD LYS 57 -6.528 -20.653 5.990 156 1HE LYS 57 2HE LYS 57 -3.755 -20.160 6.404 157 2HE LYS 57 3HE LYS 57 -4.427 -18.621 5.899 158 1HZ LYS 57 1HZ LYS 57 -6.007 -20.063 7.810 159 2HZ LYS 57 2HZ LYS 57 -4.561 -19.551 8.369 160 3HZ LYS 57 3HZ LYS 57 -5.628 -18.476 7.756 161 H LYS 58 H LYS 58 -6.690 -23.034 2.524 162 HA LYS 58 HA LYS 58 -6.996 -22.937 -0.302 163 1HB LYS 58 2HB LYS 58 -5.920 -25.080 -0.279 164 2HB LYS 58 3HB LYS 58 -6.908 -25.642 1.055 165 1HG LYS 58 2HG LYS 58 -8.417 -24.668 -1.339 166 2HG LYS 58 3HG LYS 58 -7.483 -26.130 -1.584 167 1HD LYS 58 2HD LYS 58 -8.913 -27.384 -0.326 168 2HD LYS 58 3HD LYS 58 -8.942 -26.204 0.970 169 1HE LYS 58 2HE LYS 58 -10.362 -25.150 -1.353 170 2HE LYS 58 3HE LYS 58 -10.995 -26.732 -0.939 171 1HZ LYS 58 1HZ LYS 58 -11.865 -25.935 0.920 172 2HZ LYS 58 2HZ LYS 58 -10.536 -25.081 1.334 173 3HZ LYS 58 3HZ LYS 58 -11.627 -24.443 0.298 Start of MODEL 16 1 H ARG 43 H ARG 43 -0.560 0.802 -0.597 2 HA ARG 43 HA ARG 43 -2.160 -0.760 -2.191 3 1HB ARG 43 2HB ARG 43 0.395 0.812 -2.641 4 2HB ARG 43 3HB ARG 43 -0.238 -0.169 -3.950 5 1HG ARG 43 2HG ARG 43 -2.482 1.012 -3.642 6 2HG ARG 43 3HG ARG 43 -1.702 2.080 -2.492 7 1HD ARG 43 2HD ARG 43 0.051 2.222 -4.637 8 2HD ARG 43 3HD ARG 43 -1.481 2.012 -5.461 9 HE ARG 43 HE ARG 43 -0.624 4.365 -3.976 10 1HH1 ARG 43 2HH2 ARG 43 -3.451 2.523 -4.975 11 2HH1 ARG 43 1HH2 ARG 43 -4.525 3.879 -4.881 12 1HH2 ARG 43 2HH1 ARG 43 -2.041 6.153 -3.851 13 2HH2 ARG 43 1HH1 ARG 43 -3.718 5.957 -4.238 14 H GLN 44 H GLN 44 1.379 -1.090 -1.392 15 HA GLN 44 HA GLN 44 1.340 -3.719 -2.574 16 1HB GLN 44 2HB GLN 44 3.754 -3.649 -2.385 17 2HB GLN 44 3HB GLN 44 3.220 -2.104 -3.014 18 1HG GLN 44 2HG GLN 44 3.231 -1.262 -0.564 19 2HG GLN 44 3HG GLN 44 4.079 -2.742 -0.160 20 1HE2 GLN 44 1HE2 GLN 44 5.962 -3.259 -1.675 21 2HE2 GLN 44 2HE2 GLN 44 7.050 -1.961 -2.039 22 H ILE 45 H ILE 45 -0.028 -2.842 0.079 23 HA ILE 45 HA ILE 45 1.309 -4.828 1.783 24 HB ILE 45 HB ILE 45 0.836 -2.164 2.309 25 1HG1 ILE 45 2HG1 ILE 45 1.562 -2.705 4.568 26 2HG1 ILE 45 3HG1 ILE 45 1.162 -4.396 4.335 27 1HG2 ILE 45 1HG2 ILE 45 -0.887 -1.992 3.947 28 2HG2 ILE 45 2HG2 ILE 45 -1.605 -2.720 2.489 29 3HG2 ILE 45 3HG2 ILE 45 -1.205 -3.742 3.891 30 1HD1 ILE 45 1HD1 ILE 45 3.605 -3.047 3.663 31 2HD1 ILE 45 2HD1 ILE 45 3.203 -4.766 3.437 32 3HD1 ILE 45 3HD1 ILE 45 2.853 -3.593 2.145 33 H LYS 46 H LYS 46 -1.114 -4.539 -0.398 34 HA LYS 46 HA LYS 46 -2.863 -6.298 1.175 35 1HB LYS 46 2HB LYS 46 -4.784 -5.371 0.042 36 2HB LYS 46 3HB LYS 46 -3.895 -4.086 0.836 37 1HG LYS 46 2HG LYS 46 -2.889 -3.369 -1.264 38 2HG LYS 46 3HG LYS 46 -3.476 -4.791 -2.103 39 1HD LYS 46 2HD LYS 46 -5.817 -4.056 -1.806 40 2HD LYS 46 3HD LYS 46 -5.298 -2.691 -0.836 41 1HE LYS 46 2HE LYS 46 -5.401 -1.574 -2.847 42 2HE LYS 46 3HE LYS 46 -3.787 -2.225 -3.055 43 1HZ LYS 46 1HZ LYS 46 -5.946 -2.706 -4.637 44 2HZ LYS 46 2HZ LYS 46 -4.507 -3.476 -4.701 45 3HZ LYS 46 3HZ LYS 46 -5.733 -4.107 -3.825 46 H ILE 47 H ILE 47 -0.551 -6.163 -1.188 47 HA ILE 47 HA ILE 47 -1.891 -8.236 -2.780 48 HB ILE 47 HB ILE 47 0.067 -7.589 -4.393 49 1HG1 ILE 47 2HG1 ILE 47 0.559 -5.155 -4.311 50 2HG1 ILE 47 3HG1 ILE 47 -0.246 -5.055 -2.757 51 1HG2 ILE 47 1HG2 ILE 47 -2.536 -7.291 -4.524 52 2HG2 ILE 47 2HG2 ILE 47 -2.146 -5.572 -4.273 53 3HG2 ILE 47 3HG2 ILE 47 -1.466 -6.443 -5.668 54 1HD1 ILE 47 1HD1 ILE 47 1.750 -7.231 -2.861 55 2HD1 ILE 47 2HD1 ILE 47 2.450 -5.618 -3.140 56 3HD1 ILE 47 3HD1 ILE 47 1.534 -5.945 -1.648 57 H TRP 48 H TRP 48 0.755 -7.388 -0.628 58 HA TRP 48 HA TRP 48 2.239 -9.783 -1.287 59 1HB TRP 48 2HB TRP 48 2.947 -7.302 -0.349 60 2HB TRP 48 3HB TRP 48 2.994 -8.269 1.111 61 HD1 TRP 48 HD1 TRP 48 5.080 -7.470 -1.874 62 HE1 TRP 48 HE1 TRP 48 7.252 -8.961 -2.049 63 HE3 TRP 48 HE3 TRP 48 3.657 -10.881 1.620 64 HZ2 TRP 48 HZ2 TRP 48 8.110 -11.345 -0.737 65 HZ3 TRP 48 HZ3 TRP 48 5.221 -12.759 2.113 66 HH2 TRP 48 HH2 TRP 48 7.380 -13.022 0.999 67 H PHE 49 H PHE 49 -0.102 -8.501 1.078 68 HA PHE 49 HA PHE 49 0.269 -10.454 3.046 69 1HB PHE 49 2HB PHE 49 -1.414 -9.160 3.998 70 2HB PHE 49 3HB PHE 49 -1.237 -8.136 2.587 71 HD1 PHE 49 HD1 PHE 49 -2.702 -8.685 0.544 72 HD2 PHE 49 HD2 PHE 49 -3.440 -10.242 4.422 73 HE1 PHE 49 HE1 PHE 49 -5.080 -9.166 -0.102 74 HE2 PHE 49 HE2 PHE 49 -5.818 -10.724 3.776 75 HZ PHE 49 HZ PHE 49 -6.609 -10.180 1.522 76 H GLN 50 H GLN 50 -1.764 -10.315 0.081 77 HA GLN 50 HA GLN 50 -3.260 -12.583 0.705 78 1HB GLN 50 2HB GLN 50 -4.189 -11.195 -0.955 79 2HB GLN 50 3HB GLN 50 -2.671 -11.024 -1.815 80 1HG GLN 50 2HG GLN 50 -3.935 -13.767 -1.596 81 2HG GLN 50 3HG GLN 50 -4.580 -12.622 -2.757 82 1HE2 GLN 50 1HE2 GLN 50 -3.080 -11.621 -4.272 83 2HE2 GLN 50 2HE2 GLN 50 -1.732 -12.528 -4.874 84 H ASN 51 H ASN 51 -0.095 -12.066 -0.878 85 HA ASN 51 HA ASN 51 0.175 -14.529 -2.051 86 1HB ASN 51 2HB ASN 51 2.063 -12.427 -0.991 87 2HB ASN 51 3HB ASN 51 2.755 -13.993 -1.365 88 1HD2 ASN 51 1HD2 ASN 51 2.575 -14.845 -3.477 89 2HD2 ASN 51 2HD2 ASN 51 2.365 -13.822 -4.859 90 H ARG 52 H ARG 52 1.144 -13.324 1.244 91 HA ARG 52 HA ARG 52 2.169 -15.800 2.045 92 1HB ARG 52 2HB ARG 52 2.780 -13.574 3.065 93 2HB ARG 52 3HB ARG 52 1.173 -13.465 3.756 94 1HG ARG 52 2HG ARG 52 1.904 -14.637 5.552 95 2HG ARG 52 3HG ARG 52 2.133 -16.031 4.516 96 1HD ARG 52 2HD ARG 52 4.413 -15.775 4.459 97 2HD ARG 52 3HD ARG 52 4.313 -14.036 4.266 98 HE ARG 52 HE ARG 52 4.690 -13.849 6.553 99 1HH1 ARG 52 2HH2 ARG 52 3.144 -16.950 5.942 100 2HH1 ARG 52 1HH2 ARG 52 3.190 -17.444 7.601 101 1HH2 ARG 52 2HH1 ARG 52 4.751 -14.500 8.743 102 2HH2 ARG 52 1HH1 ARG 52 4.110 -16.041 9.205 103 H ARG 53 H ARG 53 -1.045 -14.453 1.794 104 HA ARG 53 HA ARG 53 -2.152 -16.087 3.836 105 1HB ARG 53 2HB ARG 53 -2.967 -13.779 2.559 106 2HB ARG 53 3HB ARG 53 -3.947 -14.964 1.720 107 1HG ARG 53 2HG ARG 53 -4.261 -15.796 4.334 108 2HG ARG 53 3HG ARG 53 -4.075 -14.069 4.562 109 1HD ARG 53 2HD ARG 53 -5.825 -13.964 2.514 110 2HD ARG 53 3HD ARG 53 -6.242 -15.567 3.090 111 HE ARG 53 HE ARG 53 -6.187 -14.025 5.407 112 1HH1 ARG 53 2HH2 ARG 53 -7.888 -13.818 2.333 113 2HH1 ARG 53 1HH2 ARG 53 -9.270 -13.017 3.006 114 1HH2 ARG 53 2HH1 ARG 53 -8.008 -12.968 6.295 115 2HH2 ARG 53 1HH1 ARG 53 -9.338 -12.531 5.275 116 H MET 54 H MET 54 -0.780 -17.884 2.372 117 HA MET 54 HA MET 54 -0.841 -19.638 1.074 118 1HB MET 54 2HB MET 54 -3.186 -19.611 2.726 119 2HB MET 54 3HB MET 54 -3.721 -20.201 1.165 120 1HG MET 54 2HG MET 54 -1.164 -21.432 1.925 121 2HG MET 54 3HG MET 54 -2.373 -21.685 3.169 122 1HE MET 54 1HE MET 54 -2.508 -24.837 2.034 123 2HE MET 54 2HE MET 54 -1.599 -24.531 0.534 124 3HE MET 54 3HE MET 54 -1.097 -23.752 2.053 125 H LYS 55 H LYS 55 -1.261 -17.079 -0.309 126 HA LYS 55 HA LYS 55 -1.832 -16.274 -2.284 127 1HB LYS 55 2HB LYS 55 -1.460 -19.182 -2.784 128 2HB LYS 55 3HB LYS 55 -2.264 -18.275 -4.050 129 1HG LYS 55 2HG LYS 55 -0.213 -17.592 -4.738 130 2HG LYS 55 3HG LYS 55 -0.139 -16.595 -3.299 131 1HD LYS 55 2HD LYS 55 1.628 -17.837 -2.608 132 2HD LYS 55 3HD LYS 55 0.531 -19.185 -2.384 133 1HE LYS 55 2HE LYS 55 1.101 -20.182 -4.424 134 2HE LYS 55 3HE LYS 55 1.516 -18.657 -5.182 135 1HZ LYS 55 1HZ LYS 55 3.580 -19.315 -4.755 136 2HZ LYS 55 2HZ LYS 55 3.314 -18.811 -3.225 137 3HZ LYS 55 3HZ LYS 55 3.148 -20.390 -3.605 138 H TRP 56 H TRP 56 -3.912 -16.715 -0.242 139 HA TRP 56 HA TRP 56 -6.106 -16.532 -0.029 140 1HB TRP 56 2HB TRP 56 -5.623 -14.816 -1.885 141 2HB TRP 56 3HB TRP 56 -6.340 -15.983 -2.978 142 HD1 TRP 56 HD1 TRP 56 -7.398 -14.114 0.292 143 HE1 TRP 56 HE1 TRP 56 -9.983 -13.584 0.256 144 HE3 TRP 56 HE3 TRP 56 -8.352 -16.474 -4.110 145 HZ2 TRP 56 HZ2 TRP 56 -12.089 -14.197 -1.570 146 HZ3 TRP 56 HZ3 TRP 56 -10.700 -16.461 -4.948 147 HH2 TRP 56 HH2 TRP 56 -12.534 -15.374 -3.755 148 H LYS 57 H LYS 57 -4.824 -19.125 -0.581 149 HA LYS 57 HA LYS 57 -5.457 -21.225 -0.849 150 1HB LYS 57 2HB LYS 57 -8.254 -20.163 -1.343 151 2HB LYS 57 3HB LYS 57 -7.825 -21.823 -0.985 152 1HG LYS 57 2HG LYS 57 -6.672 -19.988 0.996 153 2HG LYS 57 3HG LYS 57 -8.409 -19.781 0.885 154 1HD LYS 57 2HD LYS 57 -8.859 -21.885 1.722 155 2HD LYS 57 3HD LYS 57 -7.490 -22.620 0.913 156 1HE LYS 57 2HE LYS 57 -5.953 -21.925 2.607 157 2HE LYS 57 3HE LYS 57 -7.046 -20.703 3.228 158 1HZ LYS 57 1HZ LYS 57 -8.539 -22.634 3.784 159 2HZ LYS 57 2HZ LYS 57 -7.254 -23.606 3.520 160 3HZ LYS 57 3HZ LYS 57 -7.193 -22.471 4.692 161 H LYS 58 H LYS 58 -7.699 -19.671 -3.238 162 HA LYS 58 HA LYS 58 -6.036 -20.868 -5.340 163 1HB LYS 58 2HB LYS 58 -8.672 -21.625 -4.609 164 2HB LYS 58 3HB LYS 58 -8.804 -20.752 -6.122 165 1HG LYS 58 2HG LYS 58 -6.576 -22.314 -6.614 166 2HG LYS 58 3HG LYS 58 -7.490 -23.366 -5.553 167 1HD LYS 58 2HD LYS 58 -8.887 -21.990 -7.867 168 2HD LYS 58 3HD LYS 58 -7.930 -23.428 -8.163 169 1HE LYS 58 2HE LYS 58 -9.665 -23.813 -5.833 170 2HE LYS 58 3HE LYS 58 -10.608 -23.322 -7.227 171 1HZ LYS 58 1HZ LYS 58 -10.189 -25.238 -8.240 172 2HZ LYS 58 2HZ LYS 58 -8.615 -25.283 -7.808 173 3HZ LYS 58 3HZ LYS 58 -9.763 -25.804 -6.769 Start of MODEL 17 1 H ARG 43 H ARG 43 -0.012 -0.499 0.061 2 HA ARG 43 HA ARG 43 2.264 0.930 -0.831 3 1HB ARG 43 2HB ARG 43 1.573 0.799 2.086 4 2HB ARG 43 3HB ARG 43 3.240 0.435 1.689 5 1HG ARG 43 2HG ARG 43 1.894 2.892 0.518 6 2HG ARG 43 3HG ARG 43 2.547 2.935 2.145 7 1HD ARG 43 2HD ARG 43 4.651 1.783 0.759 8 2HD ARG 43 3HD ARG 43 3.980 2.838 -0.468 9 HE ARG 43 HE ARG 43 4.066 4.515 1.693 10 1HH1 ARG 43 2HH2 ARG 43 6.472 2.351 0.311 11 2HH1 ARG 43 1HH2 ARG 43 7.818 3.315 0.819 12 1HH2 ARG 43 2HH1 ARG 43 5.841 5.788 2.364 13 2HH2 ARG 43 1HH1 ARG 43 7.457 5.284 1.994 14 H GLN 44 H GLN 44 1.590 -1.327 -1.959 15 HA GLN 44 HA GLN 44 1.851 -3.499 -2.194 16 1HB GLN 44 2HB GLN 44 4.334 -4.194 -1.875 17 2HB GLN 44 3HB GLN 44 3.984 -2.896 -2.999 18 1HG GLN 44 2HG GLN 44 4.519 -1.209 -1.247 19 2HG GLN 44 3HG GLN 44 4.818 -2.489 -0.087 20 1HE2 GLN 44 1HE2 GLN 44 6.258 -4.323 -1.257 21 2HE2 GLN 44 2HE2 GLN 44 7.761 -3.732 -1.881 22 H ILE 45 H ILE 45 0.806 -2.736 0.476 23 HA ILE 45 HA ILE 45 1.890 -4.981 2.034 24 HB ILE 45 HB ILE 45 1.743 -2.305 2.721 25 1HG1 ILE 45 2HG1 ILE 45 2.302 -3.174 5.019 26 2HG1 ILE 45 3HG1 ILE 45 1.991 -4.794 4.429 27 1HG2 ILE 45 1HG2 ILE 45 0.089 -2.025 4.391 28 2HG2 ILE 45 2HG2 ILE 45 -0.750 -2.653 2.952 29 3HG2 ILE 45 3HG2 ILE 45 -0.388 -3.738 4.315 30 1HD1 ILE 45 1HD1 ILE 45 4.401 -4.274 4.290 31 2HD1 ILE 45 2HD1 ILE 45 3.723 -4.492 2.659 32 3HD1 ILE 45 3HD1 ILE 45 4.048 -2.855 3.276 33 H LYS 46 H LYS 46 -0.509 -4.222 -0.074 34 HA LYS 46 HA LYS 46 -2.448 -5.854 1.414 35 1HB LYS 46 2HB LYS 46 -4.249 -4.601 0.461 36 2HB LYS 46 3HB LYS 46 -3.146 -3.472 1.220 37 1HG LYS 46 2HG LYS 46 -2.256 -2.739 -0.877 38 2HG LYS 46 3HG LYS 46 -2.876 -4.137 -1.733 39 1HD LYS 46 2HD LYS 46 -4.993 -2.553 -0.386 40 2HD LYS 46 3HD LYS 46 -4.115 -1.643 -1.600 41 1HE LYS 46 2HE LYS 46 -5.186 -2.738 -3.276 42 2HE LYS 46 3HE LYS 46 -4.671 -4.292 -2.651 43 1HZ LYS 46 1HZ LYS 46 -6.540 -3.878 -0.959 44 2HZ LYS 46 2HZ LYS 46 -7.112 -2.822 -2.065 45 3HZ LYS 46 3HZ LYS 46 -6.925 -4.395 -2.459 46 H ILE 47 H ILE 47 -0.173 -5.846 -0.990 47 HA ILE 47 HA ILE 47 -1.796 -7.609 -2.689 48 HB ILE 47 HB ILE 47 0.207 -7.104 -4.299 49 1HG1 ILE 47 2HG1 ILE 47 1.011 -4.766 -4.058 50 2HG1 ILE 47 3HG1 ILE 47 0.249 -4.676 -2.483 51 1HG2 ILE 47 1HG2 ILE 47 -1.354 -4.723 -4.451 52 2HG2 ILE 47 2HG2 ILE 47 -1.478 -6.208 -5.424 53 3HG2 ILE 47 3HG2 ILE 47 -2.411 -6.053 -3.916 54 1HD1 ILE 47 1HD1 ILE 47 2.844 -5.551 -2.968 55 2HD1 ILE 47 2HD1 ILE 47 1.915 -5.865 -1.483 56 3HD1 ILE 47 3HD1 ILE 47 1.944 -7.077 -2.786 57 H TRP 48 H TRP 48 0.972 -7.266 -0.548 58 HA TRP 48 HA TRP 48 2.117 -9.781 -1.406 59 1HB TRP 48 2HB TRP 48 3.161 -7.483 -0.323 60 2HB TRP 48 3HB TRP 48 3.108 -8.550 1.067 61 HD1 TRP 48 HD1 TRP 48 5.225 -7.822 -1.913 62 HE1 TRP 48 HE1 TRP 48 7.179 -9.564 -2.247 63 HE3 TRP 48 HE3 TRP 48 3.433 -11.254 1.382 64 HZ2 TRP 48 HZ2 TRP 48 7.742 -12.125 -1.121 65 HZ3 TRP 48 HZ3 TRP 48 4.745 -13.348 1.707 66 HH2 TRP 48 HH2 TRP 48 6.832 -13.810 0.520 67 H PHE 49 H PHE 49 0.000 -8.375 1.093 68 HA PHE 49 HA PHE 49 0.147 -10.497 2.915 69 1HB PHE 49 2HB PHE 49 -1.320 -9.057 4.002 70 2HB PHE 49 3HB PHE 49 -1.046 -7.970 2.654 71 HD1 PHE 49 HD1 PHE 49 -2.623 -8.174 0.635 72 HD2 PHE 49 HD2 PHE 49 -3.459 -9.901 4.420 73 HE1 PHE 49 HE1 PHE 49 -5.058 -8.296 0.041 74 HE2 PHE 49 HE2 PHE 49 -5.895 -10.023 3.826 75 HZ PHE 49 HZ PHE 49 -6.665 -9.219 1.644 76 H GLN 50 H GLN 50 -1.906 -9.871 0.027 77 HA GLN 50 HA GLN 50 -3.666 -11.979 0.541 78 1HB GLN 50 2HB GLN 50 -4.463 -10.329 -0.947 79 2HB GLN 50 3HB GLN 50 -2.979 -10.301 -1.877 80 1HG GLN 50 2HG GLN 50 -4.297 -12.957 -1.864 81 2HG GLN 50 3HG GLN 50 -5.294 -11.697 -2.563 82 1HE2 GLN 50 1HE2 GLN 50 -2.526 -13.691 -2.894 83 2HE2 GLN 50 2HE2 GLN 50 -2.004 -13.182 -4.465 84 H ASN 51 H ASN 51 -0.489 -11.725 -1.049 85 HA ASN 51 HA ASN 51 -0.570 -14.071 -2.481 86 1HB ASN 51 2HB ASN 51 1.569 -12.300 -1.325 87 2HB ASN 51 3HB ASN 51 2.079 -13.916 -1.775 88 1HD2 ASN 51 1HD2 ASN 51 1.056 -10.815 -2.842 89 2HD2 ASN 51 2HD2 ASN 51 1.223 -11.045 -4.550 90 H ARG 52 H ARG 52 0.554 -13.321 0.893 91 HA ARG 52 HA ARG 52 1.275 -15.983 1.418 92 1HB ARG 52 2HB ARG 52 2.015 -13.728 2.585 93 2HB ARG 52 3HB ARG 52 0.578 -13.945 3.564 94 1HG ARG 52 2HG ARG 52 1.991 -15.167 4.900 95 2HG ARG 52 3HG ARG 52 1.619 -16.456 3.773 96 1HD ARG 52 2HD ARG 52 3.953 -16.528 3.716 97 2HD ARG 52 3HD ARG 52 3.651 -15.435 2.381 98 HE ARG 52 HE ARG 52 4.466 -13.626 3.671 99 1HH1 ARG 52 2HH2 ARG 52 4.144 -16.512 5.658 100 2HH1 ARG 52 1HH2 ARG 52 5.035 -15.851 6.988 101 1HH2 ARG 52 2HH1 ARG 52 5.642 -12.753 5.425 102 2HH2 ARG 52 1HH1 ARG 52 5.892 -13.698 6.855 103 H ARG 53 H ARG 53 -1.719 -14.171 1.439 104 HA ARG 53 HA ARG 53 -2.998 -15.816 3.359 105 1HB ARG 53 2HB ARG 53 -3.548 -13.357 1.992 106 2HB ARG 53 3HB ARG 53 -4.861 -14.443 1.582 107 1HG ARG 53 2HG ARG 53 -3.932 -13.672 4.385 108 2HG ARG 53 3HG ARG 53 -5.452 -13.241 3.627 109 1HD ARG 53 2HD ARG 53 -5.306 -16.084 3.466 110 2HD ARG 53 3HD ARG 53 -4.756 -15.678 5.080 111 HE ARG 53 HE ARG 53 -6.916 -14.935 5.618 112 1HH1 ARG 53 2HH2 ARG 53 -6.630 -15.276 2.128 113 2HH1 ARG 53 1HH2 ARG 53 -8.321 -15.030 1.837 114 1HH2 ARG 53 2HH1 ARG 53 -9.145 -14.610 5.235 115 2HH2 ARG 53 1HH1 ARG 53 -9.760 -14.647 3.617 116 H MET 54 H MET 54 -2.149 -16.093 0.023 117 HA MET 54 HA MET 54 -4.153 -18.194 -0.288 118 1HB MET 54 2HB MET 54 -3.149 -16.027 -2.127 119 2HB MET 54 3HB MET 54 -3.440 -17.586 -2.873 120 1HG MET 54 2HG MET 54 -5.771 -17.595 -2.006 121 2HG MET 54 3HG MET 54 -5.490 -16.075 -1.180 122 1HE MET 54 1HE MET 54 -7.725 -15.663 -2.425 123 2HE MET 54 2HE MET 54 -7.833 -15.068 -4.099 124 3HE MET 54 3HE MET 54 -7.754 -16.817 -3.778 125 H LYS 55 H LYS 55 -1.578 -18.547 0.986 126 HA LYS 55 HA LYS 55 -0.260 -20.194 -1.061 127 1HB LYS 55 2HB LYS 55 0.822 -18.009 0.363 128 2HB LYS 55 3HB LYS 55 1.511 -19.440 1.100 129 1HG LYS 55 2HG LYS 55 1.683 -20.099 -1.579 130 2HG LYS 55 3HG LYS 55 1.886 -18.359 -1.652 131 1HD LYS 55 2HD LYS 55 3.714 -18.502 0.053 132 2HD LYS 55 3HD LYS 55 3.511 -20.240 0.126 133 1HE LYS 55 2HE LYS 55 3.883 -20.123 -2.502 134 2HE LYS 55 3HE LYS 55 4.590 -18.559 -2.153 135 1HZ LYS 55 1HZ LYS 55 5.415 -21.092 -0.913 136 2HZ LYS 55 2HZ LYS 55 6.221 -20.312 -2.099 137 3HZ LYS 55 3HZ LYS 55 6.085 -19.633 -0.620 138 H TRP 56 H TRP 56 -1.047 -19.740 2.438 139 HA TRP 56 HA TRP 56 -0.155 -22.088 3.453 140 1HB TRP 56 2HB TRP 56 -2.313 -20.191 4.093 141 2HB TRP 56 3HB TRP 56 -2.550 -21.803 4.738 142 HD1 TRP 56 HD1 TRP 56 0.868 -19.933 4.504 143 HE1 TRP 56 HE1 TRP 56 1.960 -19.695 6.896 144 HE3 TRP 56 HE3 TRP 56 -3.039 -21.942 7.065 145 HZ2 TRP 56 HZ2 TRP 56 1.086 -20.360 9.529 146 HZ3 TRP 56 HZ3 TRP 56 -2.838 -22.111 9.544 147 HH2 TRP 56 HH2 TRP 56 -0.865 -21.360 10.776 148 H LYS 57 H LYS 57 -3.369 -21.469 1.863 149 HA LYS 57 HA LYS 57 -4.768 -22.809 0.807 150 1HB LYS 57 2HB LYS 57 -2.146 -23.879 0.165 151 2HB LYS 57 3HB LYS 57 -3.350 -25.151 0.178 152 1HG LYS 57 2HG LYS 57 -4.777 -23.897 -1.383 153 2HG LYS 57 3HG LYS 57 -3.721 -22.501 -1.294 154 1HD LYS 57 2HD LYS 57 -3.003 -23.523 -3.287 155 2HD LYS 57 3HD LYS 57 -1.841 -24.138 -2.128 156 1HE LYS 57 2HE LYS 57 -4.197 -25.860 -2.161 157 2HE LYS 57 3HE LYS 57 -3.595 -25.652 -3.794 158 1HZ LYS 57 1HZ LYS 57 -1.337 -26.058 -2.539 159 2HZ LYS 57 2HZ LYS 57 -2.313 -26.889 -1.527 160 3HZ LYS 57 3HZ LYS 57 -2.246 -27.289 -3.110 161 H LYS 58 H LYS 58 -6.435 -23.734 1.857 162 HA LYS 58 HA LYS 58 -5.815 -25.972 3.635 163 1HB LYS 58 2HB LYS 58 -6.110 -23.638 4.803 164 2HB LYS 58 3HB LYS 58 -7.815 -23.899 4.496 165 1HG LYS 58 2HG LYS 58 -7.453 -24.845 6.653 166 2HG LYS 58 3HG LYS 58 -7.514 -26.229 5.579 167 1HD LYS 58 2HD LYS 58 -5.440 -26.845 6.245 168 2HD LYS 58 3HD LYS 58 -4.787 -25.347 5.611 169 1HE LYS 58 2HE LYS 58 -4.757 -24.310 7.687 170 2HE LYS 58 3HE LYS 58 -6.196 -25.137 8.248 171 1HZ LYS 58 1HZ LYS 58 -4.859 -27.151 8.432 172 2HZ LYS 58 2HZ LYS 58 -3.521 -26.325 7.988 173 3HZ LYS 58 3HZ LYS 58 -4.285 -25.954 9.383 Start of MODEL 18 1 H ARG 43 H ARG 43 2.275 1.311 -1.099 2 HA ARG 43 HA ARG 43 0.851 -0.027 -0.167 3 1HB ARG 43 2HB ARG 43 -0.552 0.652 -2.670 4 2HB ARG 43 3HB ARG 43 -0.992 -0.948 -2.104 5 1HG ARG 43 2HG ARG 43 -1.515 0.002 0.157 6 2HG ARG 43 3HG ARG 43 -1.090 1.601 -0.421 7 1HD ARG 43 2HD ARG 43 -2.968 0.476 -2.300 8 2HD ARG 43 3HD ARG 43 -3.611 0.213 -0.691 9 HE ARG 43 HE ARG 43 -3.813 2.550 -0.385 10 1HH1 ARG 43 2HH2 ARG 43 -2.039 1.845 -3.341 11 2HH1 ARG 43 1HH2 ARG 43 -2.118 3.472 -3.929 12 1HH2 ARG 43 2HH1 ARG 43 -3.918 4.698 -1.159 13 2HH2 ARG 43 1HH1 ARG 43 -3.194 5.106 -2.679 14 H GLN 44 H GLN 44 2.437 -1.695 0.123 15 HA GLN 44 HA GLN 44 2.151 -3.868 -1.799 16 1HB GLN 44 2HB GLN 44 4.509 -4.387 -1.614 17 2HB GLN 44 3HB GLN 44 4.367 -2.686 -2.012 18 1HG GLN 44 2HG GLN 44 4.377 -2.420 0.669 19 2HG GLN 44 3HG GLN 44 5.196 -3.967 0.590 20 1HE2 GLN 44 1HE2 GLN 44 7.108 -4.162 -0.708 21 2HE2 GLN 44 2HE2 GLN 44 8.155 -2.805 -0.957 22 H ILE 45 H ILE 45 1.379 -2.830 1.220 23 HA ILE 45 HA ILE 45 2.062 -5.325 2.566 24 HB ILE 45 HB ILE 45 2.196 -2.761 3.410 25 1HG1 ILE 45 2HG1 ILE 45 2.390 -3.700 5.685 26 2HG1 ILE 45 3HG1 ILE 45 1.679 -5.203 5.133 27 1HG2 ILE 45 1HG2 ILE 45 -0.448 -3.821 4.446 28 2HG2 ILE 45 2HG2 ILE 45 0.396 -2.366 5.028 29 3HG2 ILE 45 3HG2 ILE 45 -0.218 -2.430 3.359 30 1HD1 ILE 45 1HD1 ILE 45 4.431 -4.320 4.927 31 2HD1 ILE 45 2HD1 ILE 45 3.738 -5.908 4.518 32 3HD1 ILE 45 3HD1 ILE 45 3.782 -4.614 3.296 33 H LYS 46 H LYS 46 -0.256 -4.251 0.463 34 HA LYS 46 HA LYS 46 -2.291 -5.919 1.767 35 1HB LYS 46 2HB LYS 46 -4.022 -4.474 0.982 36 2HB LYS 46 3HB LYS 46 -2.856 -3.489 1.842 37 1HG LYS 46 2HG LYS 46 -2.756 -2.172 -0.004 38 2HG LYS 46 3HG LYS 46 -1.883 -3.472 -0.791 39 1HD LYS 46 2HD LYS 46 -3.890 -4.375 -1.773 40 2HD LYS 46 3HD LYS 46 -4.926 -3.425 -0.726 41 1HE LYS 46 2HE LYS 46 -4.638 -1.472 -1.961 42 2HE LYS 46 3HE LYS 46 -3.010 -1.890 -2.457 43 1HZ LYS 46 1HZ LYS 46 -3.862 -3.410 -4.021 44 2HZ LYS 46 2HZ LYS 46 -5.388 -3.297 -3.447 45 3HZ LYS 46 3HZ LYS 46 -4.710 -2.027 -4.220 46 H ILE 47 H ILE 47 0.010 -5.836 -0.570 47 HA ILE 47 HA ILE 47 -1.702 -7.238 -2.503 48 HB ILE 47 HB ILE 47 -0.656 -6.231 -4.179 49 1HG1 ILE 47 2HG1 ILE 47 1.392 -7.565 -3.789 50 2HG1 ILE 47 3HG1 ILE 47 1.722 -5.968 -4.431 51 1HG2 ILE 47 1HG2 ILE 47 0.242 -4.441 -1.908 52 2HG2 ILE 47 2HG2 ILE 47 0.346 -4.007 -3.631 53 3HG2 ILE 47 3HG2 ILE 47 -1.241 -4.306 -2.883 54 1HD1 ILE 47 1HD1 ILE 47 3.031 -5.490 -2.650 55 2HD1 ILE 47 2HD1 ILE 47 1.671 -5.794 -1.543 56 3HD1 ILE 47 3HD1 ILE 47 2.741 -7.132 -2.028 57 H TRP 48 H TRP 48 1.192 -7.315 -0.435 58 HA TRP 48 HA TRP 48 2.030 -9.861 -1.495 59 1HB TRP 48 2HB TRP 48 3.185 -7.751 0.045 60 2HB TRP 48 3HB TRP 48 3.309 -9.236 0.968 61 HD1 TRP 48 HD1 TRP 48 5.677 -7.556 -0.826 62 HE1 TRP 48 HE1 TRP 48 7.310 -8.949 -2.362 63 HE3 TRP 48 HE3 TRP 48 2.735 -11.694 -1.096 64 HZ2 TRP 48 HZ2 TRP 48 7.189 -11.567 -3.491 65 HZ3 TRP 48 HZ3 TRP 48 3.566 -13.625 -2.436 66 HH2 TRP 48 HH2 TRP 48 5.711 -13.607 -3.609 67 H PHE 49 H PHE 49 -0.002 -8.503 1.067 68 HA PHE 49 HA PHE 49 0.002 -10.789 2.724 69 1HB PHE 49 2HB PHE 49 -1.172 -9.244 3.989 70 2HB PHE 49 3HB PHE 49 -0.981 -8.119 2.659 71 HD1 PHE 49 HD1 PHE 49 -2.787 -7.946 0.932 72 HD2 PHE 49 HD2 PHE 49 -3.286 -10.202 4.491 73 HE1 PHE 49 HE1 PHE 49 -5.275 -7.916 0.601 74 HE2 PHE 49 HE2 PHE 49 -5.774 -10.172 4.161 75 HZ PHE 49 HZ PHE 49 -6.739 -9.029 2.220 76 H GLN 50 H GLN 50 -2.031 -9.650 -0.018 77 HA GLN 50 HA GLN 50 -3.869 -11.793 0.353 78 1HB GLN 50 2HB GLN 50 -5.076 -10.843 -1.476 79 2HB GLN 50 3HB GLN 50 -4.424 -9.480 -0.590 80 1HG GLN 50 2HG GLN 50 -3.380 -8.768 -2.469 81 2HG GLN 50 3HG GLN 50 -2.407 -10.226 -2.471 82 1HE2 GLN 50 1HE2 GLN 50 -3.126 -12.076 -3.599 83 2HE2 GLN 50 2HE2 GLN 50 -4.227 -11.964 -4.931 84 H ASN 51 H ASN 51 -0.759 -11.419 -1.059 85 HA ASN 51 HA ASN 51 -1.198 -13.336 -3.131 86 1HB ASN 51 2HB ASN 51 1.055 -11.599 -2.177 87 2HB ASN 51 3HB ASN 51 1.542 -13.101 -2.934 88 1HD2 ASN 51 1HD2 ASN 51 1.437 -10.098 -3.640 89 2HD2 ASN 51 2HD2 ASN 51 0.830 -10.055 -5.261 90 H ARG 52 H ARG 52 0.002 -13.120 0.217 91 HA ARG 52 HA ARG 52 1.069 -15.789 0.074 92 1HB ARG 52 2HB ARG 52 2.145 -13.778 1.347 93 2HB ARG 52 3HB ARG 52 0.899 -14.022 2.555 94 1HG ARG 52 2HG ARG 52 2.138 -15.675 3.485 95 2HG ARG 52 3HG ARG 52 1.985 -16.610 2.011 96 1HD ARG 52 2HD ARG 52 4.346 -16.365 2.364 97 2HD ARG 52 3HD ARG 52 3.956 -15.250 1.069 98 HE ARG 52 HE ARG 52 3.665 -13.678 3.318 99 1HH1 ARG 52 2HH2 ARG 52 6.254 -15.756 2.150 100 2HH1 ARG 52 1HH2 ARG 52 7.511 -14.825 2.897 101 1HH2 ARG 52 2HH1 ARG 52 5.323 -12.451 4.304 102 2HH2 ARG 52 1HH1 ARG 52 6.977 -12.934 4.131 103 H ARG 53 H ARG 53 -1.856 -14.106 0.875 104 HA ARG 53 HA ARG 53 -2.806 -15.562 2.976 105 1HB ARG 53 2HB ARG 53 -3.773 -13.521 1.441 106 2HB ARG 53 3HB ARG 53 -4.748 -14.828 0.798 107 1HG ARG 53 2HG ARG 53 -4.669 -15.020 3.704 108 2HG ARG 53 3HG ARG 53 -5.143 -13.397 3.241 109 1HD ARG 53 2HD ARG 53 -7.240 -14.234 2.933 110 2HD ARG 53 3HD ARG 53 -6.623 -14.987 1.476 111 HE ARG 53 HE ARG 53 -6.607 -17.071 2.566 112 1HH1 ARG 53 2HH2 ARG 53 -7.039 -14.500 4.929 113 2HH1 ARG 53 1HH2 ARG 53 -7.406 -15.585 6.230 114 1HH2 ARG 53 2HH1 ARG 53 -7.091 -18.501 4.280 115 2HH2 ARG 53 1HH1 ARG 53 -7.435 -17.875 5.858 116 H MET 54 H MET 54 -2.235 -16.499 -0.343 117 HA MET 54 HA MET 54 -4.092 -18.696 -0.188 118 1HB MET 54 2HB MET 54 -3.057 -17.102 -2.259 119 2HB MET 54 3HB MET 54 -2.160 -18.595 -2.453 120 1HG MET 54 2HG MET 54 -4.832 -19.424 -1.986 121 2HG MET 54 3HG MET 54 -4.979 -18.040 -3.052 122 1HE MET 54 1HE MET 54 -5.533 -18.460 -4.931 123 2HE MET 54 2HE MET 54 -4.420 -18.982 -6.219 124 3HE MET 54 3HE MET 54 -5.615 -20.124 -5.559 125 H LYS 55 H LYS 55 -0.819 -17.991 0.631 126 HA LYS 55 HA LYS 55 0.320 -20.509 0.031 127 1HB LYS 55 2HB LYS 55 1.300 -18.065 0.699 128 2HB LYS 55 3HB LYS 55 1.456 -18.886 2.239 129 1HG LYS 55 2HG LYS 55 3.365 -19.814 1.433 130 2HG LYS 55 3HG LYS 55 2.353 -20.812 0.409 131 1HD LYS 55 2HD LYS 55 3.165 -19.775 -1.433 132 2HD LYS 55 3HD LYS 55 2.548 -18.239 -0.859 133 1HE LYS 55 2HE LYS 55 4.683 -18.172 0.660 134 2HE LYS 55 3HE LYS 55 5.295 -19.452 -0.370 135 1HZ LYS 55 1HZ LYS 55 4.961 -18.014 -2.263 136 2HZ LYS 55 2HZ LYS 55 4.378 -16.822 -1.310 137 3HZ LYS 55 3HZ LYS 55 5.936 -17.292 -1.169 138 H TRP 56 H TRP 56 -1.232 -19.053 2.946 139 HA TRP 56 HA TRP 56 -0.713 -21.013 4.769 140 1HB TRP 56 2HB TRP 56 -2.561 -18.839 4.460 141 2HB TRP 56 3HB TRP 56 -3.402 -20.216 5.145 142 HD1 TRP 56 HD1 TRP 56 0.119 -18.653 5.896 143 HE1 TRP 56 HE1 TRP 56 0.466 -18.390 8.499 144 HE3 TRP 56 HE3 TRP 56 -4.418 -20.526 7.220 145 HZ2 TRP 56 HZ2 TRP 56 -1.161 -18.981 10.769 146 HZ3 TRP 56 HZ3 TRP 56 -4.961 -20.649 9.650 147 HH2 TRP 56 HH2 TRP 56 -3.418 -19.915 11.397 148 H LYS 57 H LYS 57 -3.218 -20.887 2.169 149 HA LYS 57 HA LYS 57 -4.423 -22.466 1.209 150 1HB LYS 57 2HB LYS 57 -2.018 -23.905 2.093 151 2HB LYS 57 3HB LYS 57 -3.414 -24.945 1.888 152 1HG LYS 57 2HG LYS 57 -3.749 -24.164 -0.408 153 2HG LYS 57 3HG LYS 57 -2.530 -22.920 -0.217 154 1HD LYS 57 2HD LYS 57 -1.647 -25.730 0.348 155 2HD LYS 57 3HD LYS 57 -2.016 -25.360 -1.325 156 1HE LYS 57 2HE LYS 57 -0.339 -23.669 -1.458 157 2HE LYS 57 3HE LYS 57 -0.245 -23.490 0.282 158 1HZ LYS 57 1HZ LYS 57 1.491 -24.882 -1.029 159 2HZ LYS 57 2HZ LYS 57 1.029 -25.332 0.471 160 3HZ LYS 57 3HZ LYS 57 0.401 -26.084 -0.836 161 H LYS 58 H LYS 58 -5.880 -24.484 1.716 162 HA LYS 58 HA LYS 58 -6.945 -24.007 4.400 163 1HB LYS 58 2HB LYS 58 -8.198 -25.008 1.836 164 2HB LYS 58 3HB LYS 58 -9.000 -25.139 3.387 165 1HG LYS 58 2HG LYS 58 -9.357 -22.856 3.563 166 2HG LYS 58 3HG LYS 58 -7.858 -22.445 2.753 167 1HD LYS 58 2HD LYS 58 -10.184 -23.702 1.242 168 2HD LYS 58 3HD LYS 58 -10.089 -21.970 1.493 169 1HE LYS 58 2HE LYS 58 -8.265 -21.714 0.067 170 2HE LYS 58 3HE LYS 58 -7.609 -23.296 0.439 171 1HZ LYS 58 1HZ LYS 58 -9.071 -24.302 -1.004 172 2HZ LYS 58 2HZ LYS 58 -10.124 -23.055 -1.025 173 3HZ LYS 58 3HZ LYS 58 -8.696 -22.930 -1.807 Start of MODEL 19 1 H ARG 43 H ARG 43 -1.833 0.279 -5.918 2 HA ARG 43 HA ARG 43 -0.875 0.870 -3.487 3 1HB ARG 43 2HB ARG 43 -3.094 -0.906 -4.487 4 2HB ARG 43 3HB ARG 43 -2.702 -1.019 -2.782 5 1HG ARG 43 2HG ARG 43 -3.207 1.285 -2.385 6 2HG ARG 43 3HG ARG 43 -3.112 1.694 -4.087 7 1HD ARG 43 2HD ARG 43 -5.171 -0.354 -3.286 8 2HD ARG 43 3HD ARG 43 -5.477 1.309 -2.821 9 HE ARG 43 HE ARG 43 -5.463 0.228 -5.552 10 1HH1 ARG 43 2HH2 ARG 43 -5.240 3.135 -3.581 11 2HH1 ARG 43 1HH2 ARG 43 -5.734 4.194 -4.861 12 1HH2 ARG 43 2HH1 ARG 43 -6.114 1.624 -7.240 13 2HH2 ARG 43 1HH1 ARG 43 -6.234 3.329 -6.956 14 H GLN 44 H GLN 44 -0.417 -0.600 -1.552 15 HA GLN 44 HA GLN 44 0.602 -3.192 -2.278 16 1HB GLN 44 2HB GLN 44 2.398 -1.144 -2.347 17 2HB GLN 44 3HB GLN 44 2.500 -1.551 -0.645 18 1HG GLN 44 2HG GLN 44 3.492 -3.589 -1.047 19 2HG GLN 44 3HG GLN 44 2.507 -3.910 -2.461 20 1HE2 GLN 44 1HE2 GLN 44 4.723 -4.694 -3.098 21 2HE2 GLN 44 2HE2 GLN 44 5.757 -3.592 -3.943 22 H ILE 45 H ILE 45 2.162 -3.190 0.362 23 HA ILE 45 HA ILE 45 1.664 -4.105 2.343 24 HB ILE 45 HB ILE 45 1.802 -1.599 2.607 25 1HG1 ILE 45 2HG1 ILE 45 0.796 -1.731 4.985 26 2HG1 ILE 45 3HG1 ILE 45 0.406 -3.394 4.592 27 1HG2 ILE 45 1HG2 ILE 45 -1.181 -1.933 2.507 28 2HG2 ILE 45 2HG2 ILE 45 -0.452 -0.656 3.510 29 3HG2 ILE 45 3HG2 ILE 45 -0.147 -0.695 1.757 30 1HD1 ILE 45 1HD1 ILE 45 3.132 -2.091 4.810 31 2HD1 ILE 45 2HD1 ILE 45 2.542 -3.589 5.569 32 3HD1 ILE 45 3HD1 ILE 45 2.922 -3.563 3.830 33 H LYS 46 H LYS 46 -0.113 -4.975 0.165 34 HA LYS 46 HA LYS 46 -2.093 -6.187 1.797 35 1HB LYS 46 2HB LYS 46 -4.013 -5.115 1.224 36 2HB LYS 46 3HB LYS 46 -2.922 -3.748 1.137 37 1HG LYS 46 2HG LYS 46 -2.653 -4.092 -1.315 38 2HG LYS 46 3HG LYS 46 -3.697 -5.498 -1.245 39 1HD LYS 46 2HD LYS 46 -4.701 -2.832 -0.206 40 2HD LYS 46 3HD LYS 46 -4.703 -3.147 -1.929 41 1HE LYS 46 2HE LYS 46 -6.466 -4.601 -1.784 42 2HE LYS 46 3HE LYS 46 -5.804 -5.406 -0.376 43 1HZ LYS 46 1HZ LYS 46 -7.889 -4.119 -0.031 44 2HZ LYS 46 2HZ LYS 46 -6.685 -3.768 1.014 45 3HZ LYS 46 3HZ LYS 46 -7.023 -2.746 -0.213 46 H ILE 47 H ILE 47 -0.798 -5.348 -1.443 47 HA ILE 47 HA ILE 47 -1.964 -7.507 -2.792 48 HB ILE 47 HB ILE 47 -0.214 -7.052 -4.483 49 1HG1 ILE 47 2HG1 ILE 47 1.188 -4.957 -4.051 50 2HG1 ILE 47 3HG1 ILE 47 0.823 -5.175 -2.350 51 1HG2 ILE 47 1HG2 ILE 47 -1.511 -5.425 -5.274 52 2HG2 ILE 47 2HG2 ILE 47 -2.395 -5.515 -3.732 53 3HG2 ILE 47 3HG2 ILE 47 -1.087 -4.325 -3.940 54 1HD1 ILE 47 1HD1 ILE 47 1.652 -7.716 -3.518 55 2HD1 ILE 47 2HD1 ILE 47 2.868 -6.455 -3.833 56 3HD1 ILE 47 3HD1 ILE 47 2.372 -6.816 -2.162 57 H TRP 48 H TRP 48 0.906 -7.176 -0.718 58 HA TRP 48 HA TRP 48 1.936 -9.749 -1.485 59 1HB TRP 48 2HB TRP 48 2.886 -7.429 -0.121 60 2HB TRP 48 3HB TRP 48 3.069 -8.805 0.950 61 HD1 TRP 48 HD1 TRP 48 5.222 -7.084 -1.237 62 HE1 TRP 48 HE1 TRP 48 7.067 -8.528 -2.452 63 HE3 TRP 48 HE3 TRP 48 2.980 -11.576 -0.438 64 HZ2 TRP 48 HZ2 TRP 48 7.374 -11.325 -2.931 65 HZ3 TRP 48 HZ3 TRP 48 4.117 -13.614 -1.311 66 HH2 TRP 48 HH2 TRP 48 6.241 -13.539 -2.521 67 H PHE 49 H PHE 49 0.091 -8.223 1.217 68 HA PHE 49 HA PHE 49 0.075 -10.412 2.917 69 1HB PHE 49 2HB PHE 49 -1.839 -8.098 2.297 70 2HB PHE 49 3HB PHE 49 -2.178 -9.210 3.608 71 HD1 PHE 49 HD1 PHE 49 0.223 -6.680 2.394 72 HD2 PHE 49 HD2 PHE 49 -1.051 -9.029 5.691 73 HE1 PHE 49 HE1 PHE 49 1.669 -5.315 3.927 74 HE2 PHE 49 HE2 PHE 49 0.394 -7.664 7.223 75 HZ PHE 49 HZ PHE 49 1.737 -5.824 6.323 76 H GLN 50 H GLN 50 -1.831 -9.675 -0.002 77 HA GLN 50 HA GLN 50 -3.610 -11.866 0.589 78 1HB GLN 50 2HB GLN 50 -4.921 -11.089 -1.285 79 2HB GLN 50 3HB GLN 50 -4.447 -9.678 -0.359 80 1HG GLN 50 2HG GLN 50 -3.357 -8.799 -2.142 81 2HG GLN 50 3HG GLN 50 -2.377 -10.244 -2.313 82 1HE2 GLN 50 1HE2 GLN 50 -2.962 -11.865 -3.712 83 2HE2 GLN 50 2HE2 GLN 50 -4.178 -11.691 -4.933 84 H ASN 51 H ASN 51 -0.528 -11.793 -0.347 85 HA ASN 51 HA ASN 51 -0.914 -13.663 -2.544 86 1HB ASN 51 2HB ASN 51 1.357 -11.819 -1.729 87 2HB ASN 51 3HB ASN 51 1.726 -13.243 -2.681 88 1HD2 ASN 51 1HD2 ASN 51 2.097 -10.588 -3.514 89 2HD2 ASN 51 2HD2 ASN 51 1.078 -10.262 -4.877 90 H ARG 52 H ARG 52 0.580 -13.040 0.663 91 HA ARG 52 HA ARG 52 1.948 -15.510 0.717 92 1HB ARG 52 2HB ARG 52 2.684 -13.487 2.010 93 2HB ARG 52 3HB ARG 52 1.234 -13.586 2.989 94 1HG ARG 52 2HG ARG 52 2.935 -14.661 4.284 95 2HG ARG 52 3HG ARG 52 1.962 -15.966 3.634 96 1HD ARG 52 2HD ARG 52 3.800 -15.713 1.614 97 2HD ARG 52 3HD ARG 52 4.777 -15.183 2.970 98 HE ARG 52 HE ARG 52 3.517 -17.501 3.891 99 1HH1 ARG 52 2HH2 ARG 52 5.610 -16.696 1.179 100 2HH1 ARG 52 1HH2 ARG 52 6.312 -18.276 1.085 101 1HH2 ARG 52 2HH1 ARG 52 4.443 -19.587 3.768 102 2HH2 ARG 52 1HH1 ARG 52 5.644 -19.932 2.569 103 H ARG 53 H ARG 53 -1.300 -14.394 1.395 104 HA ARG 53 HA ARG 53 -1.884 -16.467 3.244 105 1HB ARG 53 2HB ARG 53 -3.049 -14.214 3.200 106 2HB ARG 53 3HB ARG 53 -3.790 -14.657 1.676 107 1HG ARG 53 2HG ARG 53 -5.483 -15.544 2.909 108 2HG ARG 53 3HG ARG 53 -4.386 -16.860 3.277 109 1HD ARG 53 2HD ARG 53 -4.307 -16.245 5.463 110 2HD ARG 53 3HD ARG 53 -3.763 -14.637 5.032 111 HE ARG 53 HE ARG 53 -5.985 -13.843 5.176 112 1HH1 ARG 53 2HH2 ARG 53 -5.923 -17.355 5.385 113 2HH1 ARG 53 1HH2 ARG 53 -7.575 -17.480 5.891 114 1HH2 ARG 53 2HH1 ARG 53 -8.164 -14.008 5.842 115 2HH2 ARG 53 1HH1 ARG 53 -8.859 -15.564 6.152 116 H MET 54 H MET 54 -1.710 -16.109 -0.216 117 HA MET 54 HA MET 54 -3.708 -17.697 -1.125 118 1HB MET 54 2HB MET 54 -1.379 -16.484 -2.135 119 2HB MET 54 3HB MET 54 -1.077 -18.184 -2.431 120 1HG MET 54 2HG MET 54 -2.342 -17.919 -4.314 121 2HG MET 54 3HG MET 54 -3.728 -17.934 -3.242 122 1HE MET 54 1HE MET 54 -3.697 -15.116 -1.664 123 2HE MET 54 2HE MET 54 -4.804 -14.365 -2.838 124 3HE MET 54 3HE MET 54 -4.981 -16.087 -2.422 125 H LYS 55 H LYS 55 -0.933 -18.599 0.805 126 HA LYS 55 HA LYS 55 -0.496 -21.196 0.025 127 1HB LYS 55 2HB LYS 55 0.551 -19.581 1.888 128 2HB LYS 55 3HB LYS 55 -0.462 -20.551 2.939 129 1HG LYS 55 2HG LYS 55 0.839 -22.417 2.682 130 2HG LYS 55 3HG LYS 55 1.009 -22.180 0.953 131 1HD LYS 55 2HD LYS 55 2.653 -20.273 1.492 132 2HD LYS 55 3HD LYS 55 2.604 -20.805 3.161 133 1HE LYS 55 2HE LYS 55 4.186 -22.356 2.677 134 2HE LYS 55 3HE LYS 55 3.037 -23.169 1.634 135 1HZ LYS 55 1HZ LYS 55 4.883 -22.610 0.336 136 2HZ LYS 55 2HZ LYS 55 3.722 -21.552 -0.106 137 3HZ LYS 55 3HZ LYS 55 4.936 -21.069 0.873 138 H TRP 56 H TRP 56 -2.916 -19.920 2.404 139 HA TRP 56 HA TRP 56 -4.008 -22.228 3.276 140 1HB TRP 56 2HB TRP 56 -4.700 -19.511 3.254 141 2HB TRP 56 3HB TRP 56 -6.100 -20.345 2.609 142 HD1 TRP 56 HD1 TRP 56 -3.738 -21.248 5.609 143 HE1 TRP 56 HE1 TRP 56 -5.163 -21.820 7.755 144 HE3 TRP 56 HE3 TRP 56 -8.272 -20.416 3.463 145 HZ2 TRP 56 HZ2 TRP 56 -7.963 -21.859 8.302 146 HZ3 TRP 56 HZ3 TRP 56 -10.302 -20.743 4.872 147 HH2 TRP 56 HH2 TRP 56 -10.199 -21.440 7.213 148 H LYS 57 H LYS 57 -4.910 -20.422 0.248 149 HA LYS 57 HA LYS 57 -5.715 -22.998 -0.883 150 1HB LYS 57 2HB LYS 57 -7.367 -20.464 -0.808 151 2HB LYS 57 3HB LYS 57 -7.653 -21.745 -1.969 152 1HG LYS 57 2HG LYS 57 -7.494 -23.200 0.373 153 2HG LYS 57 3HG LYS 57 -8.171 -21.697 0.968 154 1HD LYS 57 2HD LYS 57 -9.813 -21.923 -1.104 155 2HD LYS 57 3HD LYS 57 -9.324 -23.605 -1.085 156 1HE LYS 57 2HE LYS 57 -9.979 -22.636 1.619 157 2HE LYS 57 3HE LYS 57 -11.324 -22.427 0.515 158 1HZ LYS 57 1HZ LYS 57 -11.520 -24.569 1.330 159 2HZ LYS 57 2HZ LYS 57 -10.862 -24.799 -0.147 160 3HZ LYS 57 3HZ LYS 57 -9.928 -24.908 1.188 161 H LYS 58 H LYS 58 -3.683 -23.029 -1.982 162 HA LYS 58 HA LYS 58 -2.680 -20.879 -3.428 163 1HB LYS 58 2HB LYS 58 -2.295 -23.870 -3.626 164 2HB LYS 58 3HB LYS 58 -1.456 -22.757 -4.688 165 1HG LYS 58 2HG LYS 58 0.095 -22.479 -3.057 166 2HG LYS 58 3HG LYS 58 -1.120 -21.633 -2.120 167 1HD LYS 58 2HD LYS 58 -0.371 -23.378 -0.679 168 2HD LYS 58 3HD LYS 58 -1.909 -23.952 -1.293 169 1HE LYS 58 2HE LYS 58 -0.829 -25.830 -1.978 170 2HE LYS 58 3HE LYS 58 -0.063 -24.853 -3.216 171 1HZ LYS 58 1HZ LYS 58 1.264 -24.440 -0.807 172 2HZ LYS 58 2HZ LYS 58 1.130 -26.052 -1.039 173 3HZ LYS 58 3HZ LYS 58 1.839 -25.119 -2.176 Start of MODEL 20 1 H ARG 43 H ARG 43 -0.464 -0.679 1.820 2 HA ARG 43 HA ARG 43 -0.537 0.156 -0.939 3 1HB ARG 43 2HB ARG 43 0.530 1.761 1.315 4 2HB ARG 43 3HB ARG 43 1.707 1.522 0.039 5 1HG ARG 43 2HG ARG 43 0.674 3.328 -0.923 6 2HG ARG 43 3HG ARG 43 -0.485 2.137 -1.479 7 1HD ARG 43 2HD ARG 43 -1.947 2.581 0.458 8 2HD ARG 43 3HD ARG 43 -0.756 3.658 1.158 9 HE ARG 43 HE ARG 43 -1.612 4.395 -1.562 10 1HH1 ARG 43 2HH2 ARG 43 -2.161 4.810 1.889 11 2HH1 ARG 43 1HH2 ARG 43 -2.990 6.320 1.706 12 1HH2 ARG 43 2HH1 ARG 43 -2.704 6.387 -1.805 13 2HH2 ARG 43 1HH1 ARG 43 -3.301 7.223 -0.410 14 H GLN 44 H GLN 44 0.050 -2.111 -1.312 15 HA GLN 44 HA GLN 44 1.647 -3.489 -1.973 16 1HB GLN 44 2HB GLN 44 3.268 -1.433 -1.641 17 2HB GLN 44 3HB GLN 44 3.742 -2.256 -0.168 18 1HG GLN 44 2HG GLN 44 4.056 -4.370 -1.681 19 2HG GLN 44 3HG GLN 44 3.987 -3.255 -3.030 20 1HE2 GLN 44 1HE2 GLN 44 6.183 -4.247 -3.259 21 2HE2 GLN 44 2HE2 GLN 44 7.523 -3.443 -2.512 22 H ILE 45 H ILE 45 0.676 -2.721 1.223 23 HA ILE 45 HA ILE 45 1.805 -5.174 2.324 24 HB ILE 45 HB ILE 45 1.574 -2.687 3.367 25 1HG1 ILE 45 2HG1 ILE 45 1.911 -3.856 5.601 26 2HG1 ILE 45 3HG1 ILE 45 1.682 -5.373 4.756 27 1HG2 ILE 45 1HG2 ILE 45 -0.982 -3.151 3.382 28 2HG2 ILE 45 2HG2 ILE 45 -0.617 -4.161 4.801 29 3HG2 ILE 45 3HG2 ILE 45 -0.213 -2.428 4.815 30 1HD1 ILE 45 1HD1 ILE 45 3.523 -4.524 3.112 31 2HD1 ILE 45 2HD1 ILE 45 3.887 -3.323 4.375 32 3HD1 ILE 45 3HD1 ILE 45 4.034 -5.061 4.729 33 H LYS 46 H LYS 46 -0.797 -4.285 0.451 34 HA LYS 46 HA LYS 46 -2.533 -6.254 1.770 35 1HB LYS 46 2HB LYS 46 -3.502 -4.014 1.771 36 2HB LYS 46 3HB LYS 46 -3.271 -3.875 0.040 37 1HG LYS 46 2HG LYS 46 -5.266 -4.887 -0.307 38 2HG LYS 46 3HG LYS 46 -4.662 -6.340 0.464 39 1HD LYS 46 2HD LYS 46 -5.456 -5.656 2.631 40 2HD LYS 46 3HD LYS 46 -5.694 -4.000 2.112 41 1HE LYS 46 2HE LYS 46 -7.250 -6.350 0.938 42 2HE LYS 46 3HE LYS 46 -7.825 -5.407 2.299 43 1HZ LYS 46 1HZ LYS 46 -6.979 -3.848 0.052 44 2HZ LYS 46 2HZ LYS 46 -8.277 -4.794 -0.241 45 3HZ LYS 46 3HZ LYS 46 -8.319 -3.706 0.975 46 H ILE 47 H ILE 47 -0.559 -5.461 -0.969 47 HA ILE 47 HA ILE 47 -1.947 -7.360 -2.675 48 HB ILE 47 HB ILE 47 -1.056 -6.270 -4.390 49 1HG1 ILE 47 2HG1 ILE 47 1.150 -7.283 -4.039 50 2HG1 ILE 47 3HG1 ILE 47 1.273 -5.640 -4.636 51 1HG2 ILE 47 1HG2 ILE 47 -1.847 -4.477 -2.800 52 2HG2 ILE 47 2HG2 ILE 47 -0.138 -4.210 -2.375 53 3HG2 ILE 47 3HG2 ILE 47 -0.690 -3.951 -4.047 54 1HD1 ILE 47 1HD1 ILE 47 2.513 -5.054 -2.837 55 2HD1 ILE 47 2HD1 ILE 47 1.192 -5.542 -1.749 56 3HD1 ILE 47 3HD1 ILE 47 2.417 -6.732 -2.250 57 H TRP 48 H TRP 48 0.880 -7.041 -0.569 58 HA TRP 48 HA TRP 48 2.011 -9.513 -1.590 59 1HB TRP 48 2HB TRP 48 3.002 -7.183 -0.260 60 2HB TRP 48 3HB TRP 48 3.356 -8.583 0.733 61 HD1 TRP 48 HD1 TRP 48 5.291 -6.721 -1.463 62 HE1 TRP 48 HE1 TRP 48 7.013 -8.031 -2.973 63 HE3 TRP 48 HE3 TRP 48 3.091 -11.274 -0.937 64 HZ2 TRP 48 HZ2 TRP 48 7.258 -10.763 -3.759 65 HZ3 TRP 48 HZ3 TRP 48 4.135 -13.211 -2.108 66 HH2 TRP 48 HH2 TRP 48 6.148 -13.010 -3.481 67 H PHE 49 H PHE 49 -0.278 -8.347 0.735 68 HA PHE 49 HA PHE 49 0.161 -10.441 2.642 69 1HB PHE 49 2HB PHE 49 -0.955 -8.756 3.779 70 2HB PHE 49 3HB PHE 49 -1.355 -7.955 2.273 71 HD1 PHE 49 HD1 PHE 49 -2.458 -10.713 4.507 72 HD2 PHE 49 HD2 PHE 49 -3.561 -7.925 1.505 73 HE1 PHE 49 HE1 PHE 49 -4.869 -11.334 4.817 74 HE2 PHE 49 HE2 PHE 49 -5.973 -8.545 1.815 75 HZ PHE 49 HZ PHE 49 -6.599 -10.242 3.467 76 H GLN 50 H GLN 50 -1.978 -9.786 -0.155 77 HA GLN 50 HA GLN 50 -3.608 -12.047 0.452 78 1HB GLN 50 2HB GLN 50 -4.953 -11.358 -1.356 79 2HB GLN 50 3HB GLN 50 -4.308 -9.847 -0.747 80 1HG GLN 50 2HG GLN 50 -3.594 -9.448 -2.871 81 2HG GLN 50 3HG GLN 50 -2.343 -10.636 -2.564 82 1HE2 GLN 50 1HE2 GLN 50 -2.564 -10.794 -4.944 83 2HE2 GLN 50 2HE2 GLN 50 -3.687 -11.938 -5.602 84 H ASN 51 H ASN 51 -0.583 -11.454 -1.119 85 HA ASN 51 HA ASN 51 -0.820 -13.590 -2.976 86 1HB ASN 51 2HB ASN 51 1.426 -11.764 -2.041 87 2HB ASN 51 3HB ASN 51 1.809 -13.164 -3.022 88 1HD2 ASN 51 1HD2 ASN 51 2.021 -10.296 -3.580 89 2HD2 ASN 51 2HD2 ASN 51 1.121 -9.988 -5.028 90 H ARG 52 H ARG 52 0.443 -12.982 0.319 91 HA ARG 52 HA ARG 52 1.713 -15.549 0.397 92 1HB ARG 52 2HB ARG 52 2.725 -13.543 1.526 93 2HB ARG 52 3HB ARG 52 1.333 -13.440 2.585 94 1HG ARG 52 2HG ARG 52 2.694 -16.107 2.481 95 2HG ARG 52 3HG ARG 52 3.615 -14.810 3.219 96 1HD ARG 52 2HD ARG 52 0.738 -15.466 4.009 97 2HD ARG 52 3HD ARG 52 2.131 -16.151 4.821 98 HE ARG 52 HE ARG 52 2.264 -13.237 4.641 99 1HH1 ARG 52 2HH2 ARG 52 0.972 -15.930 6.501 100 2HH1 ARG 52 1HH2 ARG 52 0.825 -15.016 7.964 101 1HH2 ARG 52 2HH1 ARG 52 2.070 -12.030 6.572 102 2HH2 ARG 52 1HH1 ARG 52 1.454 -12.782 8.005 103 H ARG 53 H ARG 53 -1.358 -14.056 1.163 104 HA ARG 53 HA ARG 53 -2.080 -15.815 3.225 105 1HB ARG 53 2HB ARG 53 -3.189 -13.633 2.966 106 2HB ARG 53 3HB ARG 53 -3.737 -14.052 1.356 107 1HG ARG 53 2HG ARG 53 -5.544 -15.186 2.154 108 2HG ARG 53 3HG ARG 53 -4.573 -16.079 3.307 109 1HD ARG 53 2HD ARG 53 -4.696 -14.292 4.943 110 2HD ARG 53 3HD ARG 53 -5.344 -13.165 3.769 111 HE ARG 53 HE ARG 53 -6.834 -15.235 5.210 112 1HH1 ARG 53 2HH2 ARG 53 -6.795 -13.174 2.358 113 2HH1 ARG 53 1HH2 ARG 53 -8.510 -13.239 2.131 114 1HH2 ARG 53 2HH1 ARG 53 -9.098 -15.321 4.910 115 2HH2 ARG 53 1HH1 ARG 53 -9.829 -14.469 3.592 116 H MET 54 H MET 54 -1.954 -16.008 -0.269 117 HA MET 54 HA MET 54 -4.022 -17.784 -0.726 118 1HB MET 54 2HB MET 54 -2.486 -16.449 -2.376 119 2HB MET 54 3HB MET 54 -1.334 -17.757 -2.190 120 1HG MET 54 2HG MET 54 -2.458 -18.935 -3.771 121 2HG MET 54 3HG MET 54 -3.843 -19.016 -2.701 122 1HE MET 54 1HE MET 54 -2.697 -15.893 -5.699 123 2HE MET 54 2HE MET 54 -1.876 -17.399 -5.222 124 3HE MET 54 3HE MET 54 -3.142 -17.434 -6.472 125 H LYS 55 H LYS 55 -0.931 -18.210 0.849 126 HA LYS 55 HA LYS 55 -0.177 -20.733 0.313 127 1HB LYS 55 2HB LYS 55 0.909 -19.146 1.893 128 2HB LYS 55 3HB LYS 55 -0.332 -19.498 3.079 129 1HG LYS 55 2HG LYS 55 0.359 -22.029 2.643 130 2HG LYS 55 3HG LYS 55 1.833 -21.326 2.005 131 1HD LYS 55 2HD LYS 55 0.826 -20.377 4.694 132 2HD LYS 55 3HD LYS 55 1.611 -21.941 4.599 133 1HE LYS 55 2HE LYS 55 3.603 -20.855 4.709 134 2HE LYS 55 3HE LYS 55 3.296 -20.259 3.090 135 1HZ LYS 55 1HZ LYS 55 2.219 -18.357 4.020 136 2HZ LYS 55 2HZ LYS 55 2.375 -18.928 5.542 137 3HZ LYS 55 3HZ LYS 55 3.701 -18.497 4.692 138 H TRP 56 H TRP 56 -2.829 -19.755 2.581 139 HA TRP 56 HA TRP 56 -3.545 -22.171 3.559 140 1HB TRP 56 2HB TRP 56 -4.971 -19.653 2.938 141 2HB TRP 56 3HB TRP 56 -5.982 -21.066 3.168 142 HD1 TRP 56 HD1 TRP 56 -4.831 -18.351 5.188 143 HE1 TRP 56 HE1 TRP 56 -4.625 -18.861 7.770 144 HE3 TRP 56 HE3 TRP 56 -4.929 -23.415 4.732 145 HZ2 TRP 56 HZ2 TRP 56 -4.529 -21.269 9.296 146 HZ3 TRP 56 HZ3 TRP 56 -4.774 -24.771 6.817 147 HH2 TRP 56 HH2 TRP 56 -4.580 -23.778 9.041 148 H LYS 57 H LYS 57 -4.541 -20.691 0.395 149 HA LYS 57 HA LYS 57 -5.851 -23.131 -0.383 150 1HB LYS 57 2HB LYS 57 -5.373 -20.490 -1.788 151 2HB LYS 57 3HB LYS 57 -6.212 -21.841 -2.525 152 1HG LYS 57 2HG LYS 57 -8.118 -21.131 -1.523 153 2HG LYS 57 3HG LYS 57 -7.417 -21.571 0.022 154 1HD LYS 57 2HD LYS 57 -7.783 -19.331 0.457 155 2HD LYS 57 3HD LYS 57 -6.192 -19.185 -0.261 156 1HE LYS 57 2HE LYS 57 -7.480 -17.563 -1.424 157 2HE LYS 57 3HE LYS 57 -7.416 -18.913 -2.539 158 1HZ LYS 57 1HZ LYS 57 -9.656 -17.775 -1.828 159 2HZ LYS 57 2HZ LYS 57 -9.580 -19.358 -2.224 160 3HZ LYS 57 3HZ LYS 57 -9.600 -18.909 -0.654 161 H LYS 58 H LYS 58 -4.169 -24.702 -0.307 162 HA LYS 58 HA LYS 58 -2.561 -25.938 -1.177 163 1HB LYS 58 2HB LYS 58 -3.300 -24.275 -3.569 164 2HB LYS 58 3HB LYS 58 -1.922 -25.353 -3.658 165 1HG LYS 58 2HG LYS 58 -3.282 -27.151 -3.896 166 2HG LYS 58 3HG LYS 58 -4.102 -26.777 -2.393 167 1HD LYS 58 2HD LYS 58 -5.531 -25.099 -3.636 168 2HD LYS 58 3HD LYS 58 -4.756 -25.588 -5.130 169 1HE LYS 58 2HE LYS 58 -5.631 -27.852 -4.946 170 2HE LYS 58 3HE LYS 58 -6.173 -27.578 -3.303 171 1HZ LYS 58 1HZ LYS 58 -7.700 -25.918 -4.163 172 2HZ LYS 58 2HZ LYS 58 -7.215 -26.220 -5.692 173 3HZ LYS 58 3HZ LYS 58 -7.981 -27.380 -4.834
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