NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
9753 | 1ont | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 -27.195 -7.788 -7.788 2 2H GLY 1 3H GLY 1 -28.162 -7.194 -7.194 3 3H GLY 1 2H GLY 1 -28.888 -7.766 -7.766 4 1HA GLY 1 1HA GLY 1 -27.898 -6.025 -6.025 5 2HA GLY 1 2HA GLY 1 -28.891 -5.383 -5.383 6 H GLU 2 H GLU 2 -27.374 -5.639 -5.639 7 HA GLU 2 HA GLU 2 -25.562 -3.465 -3.465 8 1HB GLU 2 2HB GLU 2 -26.521 -4.125 -4.125 9 2HB GLU 2 1HB GLU 2 -25.938 -5.765 -5.765 10 1HG GLU 2 2HG GLU 2 -23.911 -3.507 -3.507 11 2HG GLU 2 1HG GLU 2 -24.673 -4.010 -4.010 12 1HN CGU 3 HN GLA 3 -24.980 -6.929 -6.929 13 HA CGU 3 HA GLA 3 -22.134 -6.889 -6.889 14 1HB CGU 3 1HB GLA 3 -22.415 -9.241 -9.241 15 2HB CGU 3 2HB GLA 3 -24.123 -8.925 -8.925 16 HG CGU 3 HG GLA 3 -23.918 -8.158 -8.158 17 1HN CGU 4 HN GLA 4 -24.574 -6.990 -6.990 18 HA CGU 4 HA GLA 4 -22.797 -7.123 -7.123 19 1HB CGU 4 1HB GLA 4 -25.062 -5.887 -5.887 20 2HB CGU 4 2HB GLA 4 -25.686 -6.543 -6.543 21 HG CGU 4 HG GLA 4 -24.397 -8.730 -8.730 22 H TYR 5 H TYR 5 -24.087 -4.494 -4.494 23 HA TYR 5 HA TYR 5 -23.206 -2.381 -2.381 24 1HB TYR 5 2HB TYR 5 -25.127 -2.231 -2.231 25 2HB TYR 5 1HB TYR 5 -23.929 -2.170 -2.170 26 HD1 TYR 5 HD2 TYR 5 -25.042 -0.444 -0.444 27 HD2 TYR 5 HD1 TYR 5 -22.824 -0.103 -0.103 28 HE1 TYR 5 HE2 TYR 5 -24.786 1.962 1.962 29 HE2 TYR 5 HE1 TYR 5 -22.573 2.303 2.303 30 HH TYR 5 HH TYR 5 -23.975 3.875 3.875 31 H GLN 6 H GLN 6 -21.964 -3.872 -3.872 32 HA GLN 6 HA GLN 6 -19.735 -2.102 -2.102 33 1HB GLN 6 2HB GLN 6 -20.678 -4.738 -4.738 34 2HB GLN 6 1HB GLN 6 -18.984 -4.370 -4.370 35 1HG GLN 6 2HG GLN 6 -21.159 -2.363 -2.363 36 2HG GLN 6 1HG GLN 6 -20.612 -3.592 -3.592 37 1HE2 GLN 6 2HE2 GLN 6 -17.449 -2.090 -2.090 38 2HE2 GLN 6 1HE2 GLN 6 -18.343 -3.529 -3.529 39 H LYS 7 H LYS 7 -19.916 -5.394 -5.394 40 HA LYS 7 HA LYS 7 -17.188 -5.613 -5.613 41 1HB LYS 7 2HB LYS 7 -19.711 -7.009 -7.009 42 2HB LYS 7 1HB LYS 7 -18.121 -7.439 -7.439 43 1HG LYS 7 2HG LYS 7 -17.625 -7.494 -7.494 44 2HG LYS 7 1HG LYS 7 -19.327 -7.894 -7.894 45 1HD LYS 7 2HD LYS 7 -18.333 -10.013 -10.013 46 2HD LYS 7 1HD LYS 7 -18.696 -9.642 -9.642 47 1HE LYS 7 2HE LYS 7 -16.414 -9.073 -9.073 48 2HE LYS 7 1HE LYS 7 -15.994 -8.938 -8.938 49 1HZ LYS 7 3HZ LYS 7 -16.912 -11.475 -11.475 50 2HZ LYS 7 2HZ LYS 7 -15.278 -11.010 -11.010 51 3HZ LYS 7 1HZ LYS 7 -16.114 -11.230 -11.230 52 H MET 8 H MET 8 -19.869 -4.052 -4.052 53 HA MET 8 HA MET 8 -18.575 -3.816 -3.816 54 1HB MET 8 2HB MET 8 -21.059 -3.971 -3.971 55 2HB MET 8 1HB MET 8 -21.076 -2.470 -2.470 56 1HG MET 8 2HG MET 8 -20.210 -1.267 -1.267 57 2HG MET 8 1HG MET 8 -20.004 -2.757 -2.757 58 1HE MET 8 3HE MET 8 -22.173 -0.492 -0.492 59 2HE MET 8 2HE MET 8 -23.005 0.195 0.195 60 3HE MET 8 1HE MET 8 -23.815 -0.989 -0.989 61 H LEU 9 H LEU 9 -19.110 -1.952 -1.952 62 HA LEU 9 HA LEU 9 -18.137 0.554 0.554 63 1HB LEU 9 2HB LEU 9 -19.055 -0.551 -0.551 64 2HB LEU 9 1HB LEU 9 -17.574 0.309 0.309 65 HG LEU 9 HG LEU 9 -19.990 1.435 1.435 66 1HD1 LEU 9 1HD1 LEU 9 -20.309 1.120 1.120 67 2HD1 LEU 9 3HD1 LEU 9 -18.859 2.065 2.065 68 3HD1 LEU 9 2HD1 LEU 9 -20.266 2.824 2.824 69 1HD2 LEU 9 1HD2 LEU 9 -17.215 2.558 2.558 70 2HD2 LEU 9 3HD2 LEU 9 -18.177 2.694 2.694 71 3HD2 LEU 9 2HD2 LEU 9 -18.583 3.657 3.657 72 1HN CGU 10 HN GLA 10 -16.534 -2.187 -2.187 73 HA CGU 10 HA GLA 10 -13.999 -0.986 -0.986 74 1HB CGU 10 1HB GLA 10 -15.017 -3.360 -3.360 75 2HB CGU 10 2HB GLA 10 -13.299 -3.131 -3.131 76 HG CGU 10 HG GLA 10 -14.919 -4.134 -4.134 77 H ASN 11 H ASN 11 -15.575 -2.096 -2.096 78 HA ASN 11 HA ASN 11 -13.152 -1.980 -1.980 79 1HB ASN 11 2HB ASN 11 -15.280 -3.709 -3.709 80 2HB ASN 11 1HB ASN 11 -15.835 -2.547 -2.547 81 1HD2 ASN 11 2HD2 ASN 11 -12.889 -5.121 -5.121 82 2HD2 ASN 11 1HD2 ASN 11 -13.708 -5.194 -5.194 83 H LEU 12 H LEU 12 -16.002 -0.162 -0.162 84 HA LEU 12 HA LEU 12 -15.978 1.519 1.519 85 1HB LEU 12 2HB LEU 12 -17.316 1.537 1.537 86 2HB LEU 12 1HB LEU 12 -17.370 3.021 3.021 87 HG LEU 12 HG LEU 12 -18.187 0.395 0.395 88 1HD1 LEU 12 3HD1 LEU 12 -19.985 2.286 2.286 89 2HD1 LEU 12 2HD1 LEU 12 -20.542 0.944 0.944 90 3HD1 LEU 12 1HD1 LEU 12 -19.590 0.637 0.637 91 1HD2 LEU 12 2HD2 LEU 12 -18.961 3.310 3.310 92 2HD2 LEU 12 1HD2 LEU 12 -17.821 2.394 2.394 93 3HD2 LEU 12 3HD2 LEU 12 -19.514 1.939 1.939 94 H ARG 13 H ARG 13 -14.997 2.099 2.099 95 HA ARG 13 HA ARG 13 -13.741 4.639 4.639 96 1HB ARG 13 2HB ARG 13 -14.393 3.086 3.086 97 2HB ARG 13 1HB ARG 13 -12.663 3.322 3.322 98 1HG ARG 13 2HG ARG 13 -13.594 5.216 5.216 99 2HG ARG 13 1HG ARG 13 -13.074 5.797 5.797 100 1HD ARG 13 2HD ARG 13 -15.845 4.874 4.874 101 2HD ARG 13 1HD ARG 13 -15.697 5.967 5.967 102 HE ARG 13 HE ARG 13 -14.923 7.704 7.704 103 1HH1 ARG 13 1HH2 ARG 13 -15.829 4.807 4.807 104 2HH1 ARG 13 2HH2 ARG 13 -15.963 5.632 5.632 105 1HH2 ARG 13 2HH1 ARG 13 -15.078 8.734 8.734 106 2HH2 ARG 13 1HH1 ARG 13 -15.531 7.908 7.908 107 1HN CGU 14 HN GLA 14 -12.852 1.474 1.474 108 HA CGU 14 HA GLA 14 -9.948 1.912 1.912 109 1HB CGU 14 1HB GLA 14 -11.928 -0.280 -0.280 110 2HB CGU 14 2HB GLA 14 -10.374 -0.249 -0.249 111 HG CGU 14 HG GLA 14 -11.001 -0.717 -0.717 112 H ALA 15 H ALA 15 -12.769 1.792 1.792 113 HA ALA 15 HA ALA 15 -11.592 1.455 1.455 114 1HB ALA 15 2HB ALA 15 -14.106 1.564 1.564 115 2HB ALA 15 1HB ALA 15 -13.945 3.311 3.311 116 3HB ALA 15 3HB ALA 15 -13.638 2.337 2.337 117 H GLU 16 H GLU 16 -11.686 4.166 4.166 118 HA GLU 16 HA GLU 16 -10.878 6.182 6.182 119 1HB GLU 16 2HB GLU 16 -12.061 6.395 6.395 120 2HB GLU 16 1HB GLU 16 -10.427 6.390 6.390 121 1HG GLU 16 2HG GLU 16 -10.866 8.697 8.697 122 2HG GLU 16 1HG GLU 16 -9.960 8.284 8.284 123 H VAL 17 H VAL 17 -9.293 4.080 4.080 124 HA VAL 17 HA VAL 17 -6.713 5.131 5.131 125 HB VAL 17 HB VAL 17 -7.536 2.200 2.200 126 1HG1 VAL 17 3HG1 VAL 17 -5.009 3.694 3.694 127 2HG1 VAL 17 2HG1 VAL 17 -5.477 2.185 2.185 128 3HG1 VAL 17 1HG1 VAL 17 -5.149 2.223 2.223 129 1HG2 VAL 17 1HG2 VAL 17 -8.741 3.835 3.835 130 2HG2 VAL 17 3HG2 VAL 17 -7.730 2.685 2.685 131 3HG2 VAL 17 2HG2 VAL 17 -7.174 4.333 4.333 132 H LYS 18 H LYS 18 -8.327 3.419 3.419 133 HA LYS 18 HA LYS 18 -6.352 2.035 2.035 134 1HB LYS 18 2HB LYS 18 -7.669 2.358 2.358 135 2HB LYS 18 1HB LYS 18 -8.758 2.189 2.189 136 1HG LYS 18 2HG LYS 18 -9.763 4.030 4.030 137 2HG LYS 18 1HG LYS 18 -8.577 4.903 4.903 138 1HD LYS 18 2HD LYS 18 -8.279 5.862 5.862 139 2HD LYS 18 1HD LYS 18 -7.067 4.602 4.602 140 1HE LYS 18 2HE LYS 18 -8.339 4.501 4.501 141 2HE LYS 18 1HE LYS 18 -8.797 3.095 3.095 142 1HZ LYS 18 1HZ LYS 18 -10.331 5.592 5.592 143 2HZ LYS 18 3HZ LYS 18 -10.601 4.535 4.535 144 3HZ LYS 18 2HZ LYS 18 -10.826 3.994 3.994 145 H LYS 19 H LYS 19 -6.829 5.507 5.507 146 HA LYS 19 HA LYS 19 -4.896 6.122 6.122 147 1HB LYS 19 2HB LYS 19 -6.799 7.628 7.628 148 2HB LYS 19 1HB LYS 19 -5.781 7.950 7.950 149 1HG LYS 19 2HG LYS 19 -3.952 8.640 8.640 150 2HG LYS 19 1HG LYS 19 -5.243 8.617 8.617 151 1HD LYS 19 2HD LYS 19 -6.530 10.231 10.231 152 2HD LYS 19 1HD LYS 19 -5.100 10.335 10.335 153 1HE LYS 19 2HE LYS 19 -3.797 11.034 11.034 154 2HE LYS 19 1HE LYS 19 -5.346 11.155 11.155 155 1HZ LYS 19 3HZ LYS 19 -4.665 12.601 12.601 156 2HZ LYS 19 2HZ LYS 19 -4.550 13.260 13.260 157 3HZ LYS 19 1HZ LYS 19 -6.063 12.794 12.794 158 H ASN 20 H ASN 20 -4.851 6.206 6.206 159 HA ASN 20 HA ASN 20 -2.038 6.843 6.843 160 1HB ASN 20 2HB ASN 20 -3.930 7.302 7.302 161 2HB ASN 20 1HB ASN 20 -3.789 5.612 5.612 162 1HD2 ASN 20 2HD2 ASN 20 -0.841 6.110 6.110 163 2HD2 ASN 20 1HD2 ASN 20 -2.021 5.016 5.016 164 H ALA 21 H ALA 21 -3.592 4.031 4.031 165 HA ALA 21 HA ALA 21 -1.832 2.102 2.102 166 1HB ALA 21 3HB ALA 21 -4.282 1.736 1.736 167 2HB ALA 21 2HB ALA 21 -3.559 1.521 1.521 168 3HB ALA 21 1HB ALA 21 -3.125 0.447 0.447 169 1HN NH2 22 1HT ALA 21 -2.019 3.624 3.624 170 2HN NH2 22 2HT ALA 21 -0.525 3.036 3.036 Start of MODEL 2 1 1H GLY 1 2H GLY 1 -28.117 -4.509 -4.509 2 2H GLY 1 1H GLY 1 -29.790 -4.308 -4.308 3 3H GLY 1 3H GLY 1 -28.925 -3.219 -3.219 4 1HA GLY 1 1HA GLY 1 -29.253 -2.096 -2.096 5 2HA GLY 1 2HA GLY 1 -28.807 -3.573 -3.573 6 H GLU 2 H GLU 2 -27.518 -1.566 -1.566 7 HA GLU 2 HA GLU 2 -25.148 -0.765 -0.765 8 1HB GLU 2 2HB GLU 2 -25.800 -0.761 -0.761 9 2HB GLU 2 1HB GLU 2 -24.389 0.011 0.011 10 1HG GLU 2 2HG GLU 2 -27.228 0.671 0.671 11 2HG GLU 2 1HG GLU 2 -26.411 1.547 1.547 12 1HN CGU 3 HN GLA 3 -25.959 -3.471 -3.471 13 HA CGU 3 HA GLA 3 -23.319 -4.412 -4.412 14 1HB CGU 3 1HB GLA 3 -24.402 -6.318 -6.318 15 2HB CGU 3 2HB GLA 3 -25.692 -6.289 -6.289 16 HG CGU 3 HG GLA 3 -26.376 -5.686 -5.686 17 1HN CGU 4 HN GLA 4 -25.483 -4.748 -4.748 18 HA CGU 4 HA GLA 4 -23.943 -6.826 -6.826 19 1HB CGU 4 1HB GLA 4 -25.668 -5.933 -5.933 20 2HB CGU 4 2HB GLA 4 -26.452 -5.235 -5.235 21 HG CGU 4 HG GLA 4 -26.285 -7.593 -7.593 22 H TYR 5 H TYR 5 -24.388 -3.406 -3.406 23 HA TYR 5 HA TYR 5 -23.032 -2.758 -2.758 24 1HB TYR 5 2HB TYR 5 -24.623 -1.308 -1.308 25 2HB TYR 5 1HB TYR 5 -23.167 -0.908 -0.908 26 HD1 TYR 5 HD1 TYR 5 -24.898 -0.577 -0.577 27 HD2 TYR 5 HD2 TYR 5 -21.420 0.487 0.487 28 HE1 TYR 5 HE1 TYR 5 -24.344 1.119 1.119 29 HE2 TYR 5 HE2 TYR 5 -20.867 2.176 2.176 30 HH TYR 5 HH TYR 5 -22.789 2.564 2.564 31 H GLN 6 H GLN 6 -21.781 -3.649 -3.649 32 HA GLN 6 HA GLN 6 -19.317 -2.278 -2.278 33 1HB GLN 6 2HB GLN 6 -18.658 -3.836 -3.836 34 2HB GLN 6 1HB GLN 6 -20.391 -3.675 -3.675 35 1HG GLN 6 2HG GLN 6 -20.149 -6.011 -6.011 36 2HG GLN 6 1HG GLN 6 -20.528 -5.780 -5.780 37 1HE2 GLN 6 2HE2 GLN 6 -16.527 -6.404 -6.404 38 2HE2 GLN 6 1HE2 GLN 6 -17.356 -5.263 -5.263 39 H LYS 7 H LYS 7 -20.246 -5.105 -5.105 40 HA LYS 7 HA LYS 7 -17.606 -5.960 -5.960 41 1HB LYS 7 2HB LYS 7 -19.694 -7.385 -7.385 42 2HB LYS 7 1HB LYS 7 -20.275 -6.429 -6.429 43 1HG LYS 7 2HG LYS 7 -18.194 -7.094 -7.094 44 2HG LYS 7 1HG LYS 7 -17.730 -8.115 -8.115 45 1HD LYS 7 2HD LYS 7 -19.598 -9.575 -9.575 46 2HD LYS 7 1HD LYS 7 -20.451 -8.433 -8.433 47 1HE LYS 7 2HE LYS 7 -17.794 -9.693 -9.693 48 2HE LYS 7 1HE LYS 7 -19.354 -10.374 -10.374 49 1HZ LYS 7 3HZ LYS 7 -19.710 -7.875 -7.875 50 2HZ LYS 7 2HZ LYS 7 -18.030 -7.995 -7.995 51 3HZ LYS 7 1HZ LYS 7 -19.062 -9.080 -9.080 52 H MET 8 H MET 8 -20.161 -4.317 -4.317 53 HA MET 8 HA MET 8 -18.443 -3.558 -3.558 54 1HB MET 8 2HB MET 8 -20.417 -2.280 -2.280 55 2HB MET 8 1HB MET 8 -20.861 -3.905 -3.905 56 1HG MET 8 2HG MET 8 -21.467 -2.919 -2.919 57 2HG MET 8 1HG MET 8 -21.317 -1.342 -1.342 58 1HE MET 8 2HE MET 8 -22.608 -0.402 -0.402 59 2HE MET 8 1HE MET 8 -22.914 -1.643 -1.643 60 3HE MET 8 3HE MET 8 -24.250 -0.813 -0.813 61 H LEU 9 H LEU 9 -18.637 -2.283 -2.283 62 HA LEU 9 HA LEU 9 -18.254 0.525 0.525 63 1HB LEU 9 2HB LEU 9 -19.232 0.473 0.473 64 2HB LEU 9 1HB LEU 9 -18.718 -1.154 -1.154 65 HG LEU 9 HG LEU 9 -16.641 -0.533 -0.533 66 1HD1 LEU 9 3HD1 LEU 9 -17.147 2.033 2.033 67 2HD1 LEU 9 2HD1 LEU 9 -16.562 2.322 2.322 68 3HD1 LEU 9 1HD1 LEU 9 -15.615 1.358 1.358 69 1HD2 LEU 9 2HD2 LEU 9 -18.774 1.301 1.301 70 2HD2 LEU 9 1HD2 LEU 9 -18.472 -0.367 -0.367 71 3HD2 LEU 9 3HD2 LEU 9 -17.281 0.870 0.870 72 1HN CGU 10 HN GLA 10 -16.563 -1.953 -1.953 73 HA CGU 10 HA GLA 10 -13.984 -0.968 -0.968 74 1HB CGU 10 1HB GLA 10 -13.865 -3.807 -3.807 75 2HB CGU 10 2HB GLA 10 -15.242 -3.513 -3.513 76 HG CGU 10 HG GLA 10 -13.657 -2.188 -2.188 77 H ASN 11 H ASN 11 -15.510 -2.193 -2.193 78 HA ASN 11 HA ASN 11 -13.025 -2.015 -2.015 79 1HB ASN 11 2HB ASN 11 -15.146 -3.774 -3.774 80 2HB ASN 11 1HB ASN 11 -15.626 -2.607 -2.607 81 1HD2 ASN 11 2HD2 ASN 11 -12.857 -3.337 -3.337 82 2HD2 ASN 11 1HD2 ASN 11 -13.955 -2.115 -2.115 83 H LEU 12 H LEU 12 -16.105 -0.384 -0.384 84 HA LEU 12 HA LEU 12 -16.005 1.313 1.313 85 1HB LEU 12 2HB LEU 12 -17.515 1.239 1.239 86 2HB LEU 12 1HB LEU 12 -17.327 2.851 2.851 87 HG LEU 12 HG LEU 12 -18.327 0.572 0.572 88 1HD1 LEU 12 1HD1 LEU 12 -19.930 0.946 0.946 89 2HD1 LEU 12 3HD1 LEU 12 -19.980 2.657 2.657 90 3HD1 LEU 12 2HD1 LEU 12 -20.601 1.468 1.468 91 1HD2 LEU 12 2HD2 LEU 12 -18.268 3.613 3.613 92 2HD2 LEU 12 1HD2 LEU 12 -17.485 2.436 2.436 93 3HD2 LEU 12 3HD2 LEU 12 -19.228 2.580 2.580 94 H ARG 13 H ARG 13 -14.911 1.979 1.979 95 HA ARG 13 HA ARG 13 -13.849 4.597 4.597 96 1HB ARG 13 2HB ARG 13 -12.912 2.882 2.882 97 2HB ARG 13 1HB ARG 13 -12.963 4.625 4.625 98 1HG ARG 13 2HG ARG 13 -15.499 2.932 2.932 99 2HG ARG 13 1HG ARG 13 -14.797 3.517 3.517 100 1HD ARG 13 2HD ARG 13 -15.178 5.806 5.806 101 2HD ARG 13 1HD ARG 13 -15.419 5.416 5.416 102 HE ARG 13 HE ARG 13 -17.294 4.669 4.669 103 1HH1 ARG 13 1HH2 ARG 13 -16.690 5.367 5.367 104 2HH1 ARG 13 2HH2 ARG 13 -18.366 5.286 5.286 105 1HH2 ARG 13 2HH1 ARG 13 -19.427 4.561 4.561 106 2HH2 ARG 13 1HH1 ARG 13 -19.917 4.828 4.828 107 1HN CGU 14 HN GLA 14 -12.597 1.358 1.358 108 HA CGU 14 HA GLA 14 -9.806 2.101 2.101 109 1HB CGU 14 1HB GLA 14 -10.218 -0.472 -0.472 110 2HB CGU 14 2HB GLA 14 -11.389 -0.374 -0.374 111 HG CGU 14 HG GLA 14 -9.503 0.387 0.387 112 H ALA 15 H ALA 15 -12.530 1.920 1.920 113 HA ALA 15 HA ALA 15 -10.975 1.961 1.961 114 1HB ALA 15 2HB ALA 15 -13.985 2.116 2.116 115 2HB ALA 15 1HB ALA 15 -13.228 1.979 1.979 116 3HB ALA 15 3HB ALA 15 -13.097 0.665 0.665 117 H GLU 16 H GLU 16 -12.823 4.035 4.035 118 HA GLU 16 HA GLU 16 -12.487 6.377 6.377 119 1HB GLU 16 2HB GLU 16 -14.225 5.673 5.673 120 2HB GLU 16 1HB GLU 16 -13.880 7.365 7.365 121 1HG GLU 16 2HG GLU 16 -16.005 6.478 6.478 122 2HG GLU 16 1HG GLU 16 -14.903 7.373 7.373 123 H VAL 17 H VAL 17 -10.589 4.883 4.883 124 HA VAL 17 HA VAL 17 -9.734 6.698 6.698 125 HB VAL 17 HB VAL 17 -9.040 4.250 4.250 126 1HG1 VAL 17 1HG1 VAL 17 -8.150 4.589 4.589 127 2HG1 VAL 17 3HG1 VAL 17 -6.790 5.467 5.467 128 3HG1 VAL 17 2HG1 VAL 17 -7.034 3.780 3.780 129 1HG2 VAL 17 3HG2 VAL 17 -6.913 6.264 6.264 130 2HG2 VAL 17 2HG2 VAL 17 -8.128 5.559 5.559 131 3HG2 VAL 17 1HG2 VAL 17 -6.866 4.548 4.548 132 H LYS 18 H LYS 18 -8.829 6.391 6.391 133 HA LYS 18 HA LYS 18 -6.748 8.333 8.333 134 1HB LYS 18 2HB LYS 18 -7.371 6.633 6.633 135 2HB LYS 18 1HB LYS 18 -8.759 7.622 7.622 136 1HG LYS 18 2HG LYS 18 -7.451 9.345 9.345 137 2HG LYS 18 1HG LYS 18 -6.045 8.946 8.946 138 1HD LYS 18 2HD LYS 18 -5.610 8.300 8.300 139 2HD LYS 18 1HD LYS 18 -5.721 6.852 6.852 140 1HE LYS 18 2HE LYS 18 -6.993 6.528 6.528 141 2HE LYS 18 1HE LYS 18 -8.132 6.592 6.592 142 1HZ LYS 18 1HZ LYS 18 -7.429 9.077 9.077 143 2HZ LYS 18 3HZ LYS 18 -8.500 7.991 7.991 144 3HZ LYS 18 2HZ LYS 18 -8.875 8.641 8.641 145 H LYS 19 H LYS 19 -10.192 8.629 8.629 146 HA LYS 19 HA LYS 19 -10.158 11.479 11.479 147 1HB LYS 19 2HB LYS 19 -11.886 10.139 10.139 148 2HB LYS 19 1HB LYS 19 -12.360 9.439 9.439 149 1HG LYS 19 2HG LYS 19 -12.535 12.442 12.442 150 2HG LYS 19 1HG LYS 19 -13.723 11.474 11.474 151 1HD LYS 19 2HD LYS 19 -14.760 10.740 10.740 152 2HD LYS 19 1HD LYS 19 -13.280 10.681 10.681 153 1HE LYS 19 2HE LYS 19 -13.428 13.372 13.372 154 2HE LYS 19 1HE LYS 19 -15.134 12.998 12.998 155 1HZ LYS 19 2HZ LYS 19 -13.501 11.922 11.922 156 2HZ LYS 19 1HZ LYS 19 -14.332 13.400 13.400 157 3HZ LYS 19 3HZ LYS 19 -15.193 11.956 11.956 158 H ASN 20 H ASN 20 -10.396 9.489 9.489 159 HA ASN 20 HA ASN 20 -11.552 11.460 11.460 160 1HB ASN 20 2HB ASN 20 -11.385 8.797 8.797 161 2HB ASN 20 1HB ASN 20 -9.850 9.150 9.150 162 1HD2 ASN 20 2HD2 ASN 20 -13.296 9.737 9.737 163 2HD2 ASN 20 1HD2 ASN 20 -13.256 9.043 9.043 164 H ALA 21 H ALA 21 -8.409 10.637 10.637 165 HA ALA 21 HA ALA 21 -6.910 12.084 12.084 166 1HB ALA 21 2HB ALA 21 -5.973 10.142 10.142 167 2HB ALA 21 1HB ALA 21 -6.045 11.075 11.075 168 3HB ALA 21 3HB ALA 21 -4.971 11.570 11.570 169 1HN NH2 22 1HT ALA 21 -8.869 13.242 13.242 170 2HN NH2 22 2HT ALA 21 -8.088 14.719 14.719 Start of MODEL 3 1 1H GLY 1 2H GLY 1 -27.092 -5.543 -5.543 2 2H GLY 1 1H GLY 1 -28.665 -6.015 -6.015 3 3H GLY 1 3H GLY 1 -28.202 -4.385 -4.385 4 1HA GLY 1 1HA GLY 1 -28.269 -5.374 -5.374 5 2HA GLY 1 2HA GLY 1 -27.108 -6.635 -6.635 6 H GLU 2 H GLU 2 -26.763 -4.791 -4.791 7 HA GLU 2 HA GLU 2 -25.087 -2.592 -2.592 8 1HB GLU 2 2HB GLU 2 -26.138 -3.274 -3.274 9 2HB GLU 2 1HB GLU 2 -24.704 -4.247 -4.247 10 1HG GLU 2 2HG GLU 2 -24.845 -1.221 -1.221 11 2HG GLU 2 1HG GLU 2 -24.313 -2.112 -2.112 12 1HN CGU 3 HN GLA 3 -24.226 -5.861 -5.861 13 HA CGU 3 HA GLA 3 -21.445 -5.706 -5.706 14 1HB CGU 3 1HB GLA 3 -21.821 -8.331 -8.331 15 2HB CGU 3 2HB GLA 3 -23.470 -7.945 -7.945 16 HG CGU 3 HG GLA 3 -22.579 -8.532 -8.532 17 1HN CGU 4 HN GLA 4 -24.080 -6.440 -6.440 18 HA CGU 4 HA GLA 4 -22.556 -7.352 -7.352 19 1HB CGU 4 1HB GLA 4 -24.879 -6.192 -6.192 20 2HB CGU 4 2HB GLA 4 -25.356 -6.531 -6.531 21 HG CGU 4 HG GLA 4 -24.484 -8.880 -8.880 22 H TYR 5 H TYR 5 -23.586 -4.242 -4.242 23 HA TYR 5 HA TYR 5 -22.771 -2.731 -2.731 24 1HB TYR 5 2HB TYR 5 -24.448 -1.980 -1.980 25 2HB TYR 5 1HB TYR 5 -23.046 -1.626 -1.626 26 HD1 TYR 5 HD2 TYR 5 -21.463 0.167 0.167 27 HD2 TYR 5 HD1 TYR 5 -24.922 -0.641 -0.641 28 HE1 TYR 5 HE2 TYR 5 -21.172 2.299 2.299 29 HE2 TYR 5 HE1 TYR 5 -24.624 1.492 1.492 30 HH TYR 5 HH TYR 5 -21.958 3.687 3.687 31 H GLN 6 H GLN 6 -21.324 -3.705 -3.705 32 HA GLN 6 HA GLN 6 -18.990 -2.109 -2.109 33 1HB GLN 6 2HB GLN 6 -20.061 -4.376 -4.376 34 2HB GLN 6 1HB GLN 6 -18.410 -4.781 -4.781 35 1HG GLN 6 2HG GLN 6 -17.613 -2.701 -2.701 36 2HG GLN 6 1HG GLN 6 -19.272 -2.218 -2.218 37 1HE2 GLN 6 2HE2 GLN 6 -19.735 -4.689 -4.689 38 2HE2 GLN 6 1HE2 GLN 6 -20.554 -3.892 -3.892 39 H LYS 7 H LYS 7 -19.699 -5.160 -5.160 40 HA LYS 7 HA LYS 7 -17.076 -5.691 -5.691 41 1HB LYS 7 2HB LYS 7 -19.881 -6.673 -6.673 42 2HB LYS 7 1HB LYS 7 -18.669 -7.045 -7.045 43 1HG LYS 7 2HG LYS 7 -17.398 -8.384 -8.384 44 2HG LYS 7 1HG LYS 7 -18.049 -7.624 -7.624 45 1HD LYS 7 2HD LYS 7 -19.032 -9.836 -9.836 46 2HD LYS 7 1HD LYS 7 -20.296 -8.669 -8.669 47 1HE LYS 7 2HE LYS 7 -20.099 -9.062 -9.062 48 2HE LYS 7 1HE LYS 7 -18.688 -10.083 -10.083 49 1HZ LYS 7 1HZ LYS 7 -20.649 -11.134 -11.134 50 2HZ LYS 7 3HZ LYS 7 -21.426 -10.753 -10.753 51 3HZ LYS 7 2HZ LYS 7 -20.065 -11.768 -11.768 52 H MET 8 H MET 8 -19.977 -4.262 -4.262 53 HA MET 8 HA MET 8 -18.818 -3.551 -3.551 54 1HB MET 8 2HB MET 8 -21.352 -3.888 -3.888 55 2HB MET 8 1HB MET 8 -21.266 -2.166 -2.166 56 1HG MET 8 2HG MET 8 -20.316 -3.220 -3.220 57 2HG MET 8 1HG MET 8 -22.024 -3.177 -3.177 58 1HE MET 8 2HE MET 8 -23.502 -1.344 -1.344 59 2HE MET 8 1HE MET 8 -23.076 -0.752 -0.752 60 3HE MET 8 3HE MET 8 -23.107 0.345 0.345 61 H LEU 9 H LEU 9 -18.534 -2.134 -2.134 62 HA LEU 9 HA LEU 9 -18.221 0.641 0.641 63 1HB LEU 9 2HB LEU 9 -18.798 0.748 0.748 64 2HB LEU 9 1HB LEU 9 -18.424 -0.911 -0.911 65 HG LEU 9 HG LEU 9 -16.152 -0.477 -0.477 66 1HD1 LEU 9 1HD1 LEU 9 -16.564 2.080 2.080 67 2HD1 LEU 9 3HD1 LEU 9 -15.917 2.406 2.406 68 3HD1 LEU 9 2HD1 LEU 9 -15.053 1.350 1.350 69 1HD2 LEU 9 1HD2 LEU 9 -17.783 -0.184 -0.184 70 2HD2 LEU 9 3HD2 LEU 9 -16.380 0.846 0.846 71 3HD2 LEU 9 2HD2 LEU 9 -17.888 1.535 1.535 72 1HN CGU 10 HN GLA 10 -16.319 -1.807 -1.807 73 HA CGU 10 HA GLA 10 -13.728 -0.813 -0.813 74 1HB CGU 10 1HB GLA 10 -13.359 -3.552 -3.552 75 2HB CGU 10 2HB GLA 10 -14.961 -3.505 -3.505 76 HG CGU 10 HG GLA 10 -13.765 -1.789 -1.789 77 H ASN 11 H ASN 11 -15.688 -2.019 -2.019 78 HA ASN 11 HA ASN 11 -13.424 -2.039 -2.039 79 1HB ASN 11 2HB ASN 11 -15.464 -3.786 -3.786 80 2HB ASN 11 1HB ASN 11 -16.286 -2.565 -2.565 81 1HD2 ASN 11 2HD2 ASN 11 -13.642 -4.983 -4.983 82 2HD2 ASN 11 1HD2 ASN 11 -14.281 -5.260 -5.260 83 H LEU 12 H LEU 12 -16.339 -0.300 -0.300 84 HA LEU 12 HA LEU 12 -16.416 1.418 1.418 85 1HB LEU 12 2HB LEU 12 -17.718 1.277 1.277 86 2HB LEU 12 1HB LEU 12 -17.481 2.923 2.923 87 HG LEU 12 HG LEU 12 -18.835 0.832 0.832 88 1HD1 LEU 12 2HD1 LEU 12 -20.052 2.988 2.988 89 2HD1 LEU 12 1HD1 LEU 12 -20.949 2.013 2.013 90 3HD1 LEU 12 3HD1 LEU 12 -20.194 1.256 1.256 91 1HD2 LEU 12 3HD2 LEU 12 -18.450 3.851 3.851 92 2HD2 LEU 12 2HD2 LEU 12 -17.976 2.625 2.625 93 3HD2 LEU 12 1HD2 LEU 12 -19.672 2.996 2.996 94 H ARG 13 H ARG 13 -15.448 2.179 2.179 95 HA ARG 13 HA ARG 13 -13.771 4.418 4.418 96 1HB ARG 13 2HB ARG 13 -14.829 3.341 3.341 97 2HB ARG 13 1HB ARG 13 -13.407 4.362 4.362 98 1HG ARG 13 2HG ARG 13 -14.668 6.037 6.037 99 2HG ARG 13 1HG ARG 13 -16.105 5.077 5.077 100 1HD ARG 13 2HD ARG 13 -15.106 5.428 5.428 101 2HD ARG 13 1HD ARG 13 -14.683 6.939 6.939 102 HE ARG 13 HE ARG 13 -16.970 7.453 7.453 103 1HH1 ARG 13 2HH1 ARG 13 -16.488 4.171 4.171 104 2HH1 ARG 13 1HH1 ARG 13 -18.148 3.880 3.880 105 1HH2 ARG 13 1HH2 ARG 13 -19.112 7.135 7.135 106 2HH2 ARG 13 2HH2 ARG 13 -19.667 5.600 5.600 107 1HN CGU 14 HN GLA 14 -13.029 1.455 1.455 108 HA CGU 14 HA GLA 14 -10.769 0.753 0.753 109 1HB CGU 14 1HB GLA 14 -12.061 -0.516 -0.516 110 2HB CGU 14 2HB GLA 14 -10.368 -0.863 -0.863 111 HG CGU 14 HG GLA 14 -11.411 1.204 1.204 112 H ALA 15 H ALA 15 -11.172 3.281 3.281 113 HA ALA 15 HA ALA 15 -8.322 3.674 3.674 114 1HB ALA 15 3HB ALA 15 -10.849 5.230 5.230 115 2HB ALA 15 2HB ALA 15 -9.251 5.713 5.713 116 3HB ALA 15 1HB ALA 15 -9.942 4.183 4.183 117 H GLU 16 H GLU 16 -10.814 5.165 5.165 118 HA GLU 16 HA GLU 16 -9.244 7.385 7.385 119 1HB GLU 16 2HB GLU 16 -11.828 6.041 6.041 120 2HB GLU 16 1HB GLU 16 -11.101 7.207 7.207 121 1HG GLU 16 2HG GLU 16 -12.490 8.587 8.587 122 2HG GLU 16 1HG GLU 16 -10.968 8.786 8.786 123 H VAL 17 H VAL 17 -9.725 4.120 4.120 124 HA VAL 17 HA VAL 17 -8.601 4.245 4.245 125 HB VAL 17 HB VAL 17 -8.700 1.991 1.991 126 1HG1 VAL 17 3HG1 VAL 17 -7.879 1.888 1.888 127 2HG1 VAL 17 2HG1 VAL 17 -8.377 0.469 0.469 128 3HG1 VAL 17 1HG1 VAL 17 -6.939 1.348 1.348 129 1HG2 VAL 17 2HG2 VAL 17 -10.861 3.040 3.040 130 2HG2 VAL 17 1HG2 VAL 17 -10.689 1.298 1.298 131 3HG2 VAL 17 3HG2 VAL 17 -10.348 2.296 2.296 132 H LYS 18 H LYS 18 -7.101 4.239 4.239 133 HA LYS 18 HA LYS 18 -4.487 3.359 3.359 134 1HB LYS 18 2HB LYS 18 -5.618 4.082 4.082 135 2HB LYS 18 1HB LYS 18 -5.111 5.710 5.710 136 1HG LYS 18 2HG LYS 18 -3.136 3.382 3.382 137 2HG LYS 18 1HG LYS 18 -3.563 4.247 4.247 138 1HD LYS 18 2HD LYS 18 -2.956 6.392 6.392 139 2HD LYS 18 1HD LYS 18 -1.966 5.185 5.185 140 1HE LYS 18 2HE LYS 18 -1.002 4.598 4.598 141 2HE LYS 18 1HE LYS 18 -1.844 6.011 6.011 142 1HZ LYS 18 1HZ LYS 18 -0.672 7.327 7.327 143 2HZ LYS 18 3HZ LYS 18 0.244 5.946 5.946 144 3HZ LYS 18 2HZ LYS 18 0.345 6.637 6.637 145 H LYS 19 H LYS 19 -5.690 6.698 6.698 146 HA LYS 19 HA LYS 19 -3.284 7.832 7.832 147 1HB LYS 19 2HB LYS 19 -5.027 9.202 9.202 148 2HB LYS 19 1HB LYS 19 -6.184 8.797 8.797 149 1HG LYS 19 2HG LYS 19 -5.358 11.017 11.017 150 2HG LYS 19 1HG LYS 19 -4.694 9.963 9.963 151 1HD LYS 19 2HD LYS 19 -2.790 9.956 9.956 152 2HD LYS 19 1HD LYS 19 -3.320 11.614 11.614 153 1HE LYS 19 2HE LYS 19 -2.810 11.489 11.489 154 2HE LYS 19 1HE LYS 19 -2.170 9.870 9.870 155 1HZ LYS 19 1HZ LYS 19 -0.770 11.064 11.064 156 2HZ LYS 19 3HZ LYS 19 -1.109 12.447 12.447 157 3HZ LYS 19 2HZ LYS 19 -0.308 11.126 11.126 158 H ASN 20 H ASN 20 -6.143 6.430 6.430 159 HA ASN 20 HA ASN 20 -5.769 7.180 7.180 160 1HB ASN 20 2HB ASN 20 -7.682 5.760 5.760 161 2HB ASN 20 1HB ASN 20 -6.950 4.469 4.469 162 1HD2 ASN 20 2HD2 ASN 20 -8.499 5.482 5.482 163 2HD2 ASN 20 1HD2 ASN 20 -7.586 4.309 4.309 164 H ALA 21 H ALA 21 -4.204 4.819 4.819 165 HA ALA 21 HA ALA 21 -3.109 3.205 3.205 166 1HB ALA 21 2HB ALA 21 -3.419 2.512 2.512 167 2HB ALA 21 1HB ALA 21 -1.978 3.460 3.460 168 3HB ALA 21 3HB ALA 21 -1.884 2.079 2.079 169 1HN NH2 22 1HT ALA 21 -1.985 6.058 6.058 170 2HN NH2 22 2HT ALA 21 -0.577 6.299 6.299 Start of MODEL 4 1 1H GLY 1 2H GLY 1 -25.524 -8.913 -8.913 2 2H GLY 1 1H GLY 1 -26.349 -8.872 -8.872 3 3H GLY 1 3H GLY 1 -27.007 -9.725 -9.725 4 1HA GLY 1 1HA GLY 1 -27.262 -7.702 -7.702 5 2HA GLY 1 2HA GLY 1 -28.120 -7.639 -7.639 6 H GLU 2 H GLU 2 -27.174 -6.515 -6.515 7 HA GLU 2 HA GLU 2 -25.968 -4.020 -4.020 8 1HB GLU 2 2HB GLU 2 -27.208 -4.062 -4.062 9 2HB GLU 2 1HB GLU 2 -26.495 -5.554 -5.554 10 1HG GLU 2 2HG GLU 2 -24.611 -3.204 -3.204 11 2HG GLU 2 1HG GLU 2 -25.816 -3.110 -3.110 12 1HN CGU 3 HN GLA 3 -24.713 -7.107 -7.107 13 HA CGU 3 HA GLA 3 -21.959 -6.311 -6.311 14 1HB CGU 3 1HB GLA 3 -21.479 -8.721 -8.721 15 2HB CGU 3 2HB GLA 3 -23.039 -9.059 -9.059 16 HG CGU 3 HG GLA 3 -22.763 -7.697 -7.697 17 1HN CGU 4 HN GLA 4 -23.840 -7.618 -7.618 18 HA CGU 4 HA GLA 4 -21.731 -7.854 -7.854 19 1HB CGU 4 1HB GLA 4 -24.275 -7.293 -7.293 20 2HB CGU 4 2HB GLA 4 -24.579 -8.283 -8.283 21 HG CGU 4 HG GLA 4 -22.842 -9.857 -9.857 22 H TYR 5 H TYR 5 -23.642 -5.160 -5.160 23 HA TYR 5 HA TYR 5 -23.192 -3.432 -3.432 24 1HB TYR 5 2HB TYR 5 -24.895 -2.829 -2.829 25 2HB TYR 5 1HB TYR 5 -23.679 -2.790 -2.790 26 HD1 TYR 5 HD1 TYR 5 -24.892 -1.060 -1.060 27 HD2 TYR 5 HD2 TYR 5 -22.167 -0.897 -0.897 28 HE1 TYR 5 HE1 TYR 5 -24.408 1.284 1.284 29 HE2 TYR 5 HE2 TYR 5 -21.685 1.444 1.444 30 HH TYR 5 HH TYR 5 -22.097 3.161 3.161 31 H GLN 6 H GLN 6 -21.433 -4.168 -4.168 32 HA GLN 6 HA GLN 6 -19.374 -2.216 -2.216 33 1HB GLN 6 2HB GLN 6 -19.918 -3.806 -3.806 34 2HB GLN 6 1HB GLN 6 -18.969 -5.008 -5.008 35 1HG GLN 6 2HG GLN 6 -17.140 -3.049 -3.049 36 2HG GLN 6 1HG GLN 6 -18.066 -2.395 -2.395 37 1HE2 GLN 6 2HE2 GLN 6 -16.185 -6.020 -6.020 38 2HE2 GLN 6 1HE2 GLN 6 -16.726 -5.592 -5.592 39 H LYS 7 H LYS 7 -19.672 -5.494 -5.494 40 HA LYS 7 HA LYS 7 -17.071 -5.755 -5.755 41 1HB LYS 7 2HB LYS 7 -18.589 -7.676 -7.676 42 2HB LYS 7 1HB LYS 7 -19.747 -6.897 -6.897 43 1HG LYS 7 2HG LYS 7 -18.537 -8.586 -8.586 44 2HG LYS 7 1HG LYS 7 -18.135 -7.010 -7.010 45 1HD LYS 7 2HD LYS 7 -16.050 -7.170 -7.170 46 2HD LYS 7 1HD LYS 7 -16.443 -8.877 -8.877 47 1HE LYS 7 2HE LYS 7 -14.791 -8.506 -8.506 48 2HE LYS 7 1HE LYS 7 -16.314 -8.873 -8.873 49 1HZ LYS 7 1HZ LYS 7 -15.624 -6.082 -6.082 50 2HZ LYS 7 3HZ LYS 7 -14.912 -6.863 -6.863 51 3HZ LYS 7 2HZ LYS 7 -16.602 -6.718 -6.718 52 H MET 8 H MET 8 -19.890 -4.099 -4.099 53 HA MET 8 HA MET 8 -18.721 -3.505 -3.505 54 1HB MET 8 2HB MET 8 -21.213 -3.878 -3.878 55 2HB MET 8 1HB MET 8 -21.230 -2.325 -2.325 56 1HG MET 8 2HG MET 8 -20.543 -1.188 -1.188 57 2HG MET 8 1HG MET 8 -20.277 -2.704 -2.704 58 1HE MET 8 1HE MET 8 -23.060 -0.770 -0.770 59 2HE MET 8 3HE MET 8 -22.570 0.216 0.216 60 3HE MET 8 2HE MET 8 -24.181 -0.478 -0.478 61 H LEU 9 H LEU 9 -18.965 -2.027 -2.027 62 HA LEU 9 HA LEU 9 -18.382 0.686 0.686 63 1HB LEU 9 2HB LEU 9 -19.234 0.840 0.840 64 2HB LEU 9 1HB LEU 9 -19.064 -0.846 -0.846 65 HG LEU 9 HG LEU 9 -16.837 -0.539 -0.539 66 1HD1 LEU 9 2HD1 LEU 9 -17.120 2.195 2.195 67 2HD1 LEU 9 1HD1 LEU 9 -16.428 2.224 2.224 68 3HD1 LEU 9 3HD1 LEU 9 -15.644 1.313 1.313 69 1HD2 LEU 9 1HD2 LEU 9 -18.772 -0.255 -0.255 70 2HD2 LEU 9 3HD2 LEU 9 -17.409 0.722 0.722 71 3HD2 LEU 9 2HD2 LEU 9 -18.763 1.476 1.476 72 1HN CGU 10 HN GLA 10 -16.588 -1.675 -1.675 73 HA CGU 10 HA GLA 10 -14.048 -0.542 -0.542 74 1HB CGU 10 1HB GLA 10 -14.847 -2.558 -2.558 75 2HB CGU 10 2HB GLA 10 -13.241 -2.716 -2.716 76 HG CGU 10 HG GLA 10 -15.665 -3.820 -3.820 77 H ASN 11 H ASN 11 -15.683 -1.865 -1.865 78 HA ASN 11 HA ASN 11 -13.203 -2.079 -2.079 79 1HB ASN 11 2HB ASN 11 -15.647 -3.538 -3.538 80 2HB ASN 11 1HB ASN 11 -15.767 -2.512 -2.512 81 1HD2 ASN 11 2HD2 ASN 11 -12.811 -3.948 -3.948 82 2HD2 ASN 11 1HD2 ASN 11 -13.546 -2.438 -2.438 83 H LEU 12 H LEU 12 -16.088 -0.266 -0.266 84 HA LEU 12 HA LEU 12 -15.962 1.403 1.403 85 1HB LEU 12 2HB LEU 12 -17.501 1.296 1.296 86 2HB LEU 12 1HB LEU 12 -17.275 2.922 2.922 87 HG LEU 12 HG LEU 12 -18.304 0.743 0.743 88 1HD1 LEU 12 3HD1 LEU 12 -19.835 0.949 0.949 89 2HD1 LEU 12 2HD1 LEU 12 -19.930 2.681 2.681 90 3HD1 LEU 12 1HD1 LEU 12 -20.584 1.574 1.574 91 1HD2 LEU 12 1HD2 LEU 12 -18.479 3.799 3.799 92 2HD2 LEU 12 3HD2 LEU 12 -17.448 2.827 2.827 93 3HD2 LEU 12 2HD2 LEU 12 -19.192 2.736 2.736 94 H ARG 13 H ARG 13 -15.007 2.013 2.013 95 HA ARG 13 HA ARG 13 -13.817 4.583 4.583 96 1HB ARG 13 2HB ARG 13 -13.737 2.491 2.491 97 2HB ARG 13 1HB ARG 13 -12.450 3.677 3.677 98 1HG ARG 13 2HG ARG 13 -14.248 4.496 4.496 99 2HG ARG 13 1HG ARG 13 -14.160 5.515 5.515 100 1HD ARG 13 2HD ARG 13 -16.003 3.134 3.134 101 2HD ARG 13 1HD ARG 13 -16.501 4.481 4.481 102 HE ARG 13 HE ARG 13 -15.632 5.494 5.494 103 1HH1 ARG 13 2HH1 ARG 13 -18.182 3.663 3.663 104 2HH1 ARG 13 1HH1 ARG 13 -19.362 4.157 4.157 105 1HH2 ARG 13 1HH2 ARG 13 -17.106 6.130 6.130 106 2HH2 ARG 13 2HH2 ARG 13 -18.746 5.575 5.575 107 1HN CGU 14 HN GLA 14 -12.604 1.271 1.271 108 HA CGU 14 HA GLA 14 -9.886 1.960 1.960 109 1HB CGU 14 1HB GLA 14 -10.083 -0.640 -0.640 110 2HB CGU 14 2HB GLA 14 -11.596 -0.471 -0.471 111 HG CGU 14 HG GLA 14 -10.249 -1.078 -1.078 112 H ALA 15 H ALA 15 -12.648 1.890 1.890 113 HA ALA 15 HA ALA 15 -11.517 1.084 1.084 114 1HB ALA 15 3HB ALA 15 -14.021 1.577 1.577 115 2HB ALA 15 2HB ALA 15 -13.629 3.264 3.264 116 3HB ALA 15 1HB ALA 15 -13.446 2.079 2.079 117 H GLU 16 H GLU 16 -11.591 4.098 4.098 118 HA GLU 16 HA GLU 16 -10.139 5.598 5.598 119 1HB GLU 16 2HB GLU 16 -11.925 6.716 6.716 120 2HB GLU 16 1HB GLU 16 -11.195 6.311 6.311 121 1HG GLU 16 2HG GLU 16 -9.668 7.954 7.954 122 2HG GLU 16 1HG GLU 16 -10.826 8.724 8.724 123 H VAL 17 H VAL 17 -9.657 4.718 4.718 124 HA VAL 17 HA VAL 17 -7.030 5.577 5.577 125 HB VAL 17 HB VAL 17 -8.488 3.284 3.284 126 1HG1 VAL 17 2HG1 VAL 17 -5.936 4.743 4.743 127 2HG1 VAL 17 1HG1 VAL 17 -6.900 3.859 3.859 128 3HG1 VAL 17 3HG1 VAL 17 -6.170 3.010 3.010 129 1HG2 VAL 17 2HG2 VAL 17 -9.607 5.552 5.552 130 2HG2 VAL 17 1HG2 VAL 17 -9.071 4.967 4.967 131 3HG2 VAL 17 3HG2 VAL 17 -8.139 6.191 6.191 132 H LYS 18 H LYS 18 -8.149 3.024 3.024 133 HA LYS 18 HA LYS 18 -6.209 1.010 1.010 134 1HB LYS 18 2HB LYS 18 -8.263 1.033 1.033 135 2HB LYS 18 1HB LYS 18 -7.375 2.081 2.081 136 1HG LYS 18 2HG LYS 18 -5.603 -0.102 -0.102 137 2HG LYS 18 1HG LYS 18 -7.185 -0.833 -0.833 138 1HD LYS 18 2HD LYS 18 -6.294 -0.838 -0.838 139 2HD LYS 18 1HD LYS 18 -7.532 0.400 0.400 140 1HE LYS 18 2HE LYS 18 -5.469 1.185 1.185 141 2HE LYS 18 1HE LYS 18 -5.782 2.161 2.161 142 1HZ LYS 18 3HZ LYS 18 -4.117 -0.174 -0.174 143 2HZ LYS 18 2HZ LYS 18 -3.445 1.055 1.055 144 3HZ LYS 18 1HZ LYS 18 -3.968 1.402 1.402 145 H LYS 19 H LYS 19 -6.120 3.974 3.974 146 HA LYS 19 HA LYS 19 -3.588 3.620 3.620 147 1HB LYS 19 2HB LYS 19 -3.713 6.014 6.014 148 2HB LYS 19 1HB LYS 19 -5.313 5.322 5.322 149 1HG LYS 19 2HG LYS 19 -5.558 6.073 6.073 150 2HG LYS 19 1HG LYS 19 -4.238 7.148 7.148 151 1HD LYS 19 2HD LYS 19 -6.726 7.027 7.027 152 2HD LYS 19 1HD LYS 19 -6.693 8.008 8.008 153 1HE LYS 19 2HE LYS 19 -4.572 8.259 8.259 154 2HE LYS 19 1HE LYS 19 -6.029 9.237 9.237 155 1HZ LYS 19 3HZ LYS 19 -4.707 9.203 9.203 156 2HZ LYS 19 2HZ LYS 19 -3.696 9.772 9.772 157 3HZ LYS 19 1HZ LYS 19 -5.195 10.518 10.518 158 H ASN 20 H ASN 20 -4.490 5.020 5.020 159 HA ASN 20 HA ASN 20 -1.851 5.935 5.935 160 1HB ASN 20 2HB ASN 20 -4.186 6.678 6.678 161 2HB ASN 20 1HB ASN 20 -4.075 5.261 5.261 162 1HD2 ASN 20 2HD2 ASN 20 -1.377 6.579 6.579 163 2HD2 ASN 20 1HD2 ASN 20 -2.067 5.129 5.129 164 H ALA 21 H ALA 21 -3.553 2.965 2.965 165 HA ALA 21 HA ALA 21 -1.724 1.686 1.686 166 1HB ALA 21 2HB ALA 21 -4.188 1.172 1.172 167 2HB ALA 21 1HB ALA 21 -3.979 0.475 0.475 168 3HB ALA 21 3HB ALA 21 -3.194 -0.260 -0.260 169 1HN NH2 22 1HT ALA 21 -1.890 2.138 2.138 170 2HN NH2 22 2HT ALA 21 -0.707 0.996 0.996 Start of MODEL 5 1 1H GLY 1 1H GLY 1 -29.790 -5.970 -5.970 2 2H GLY 1 3H GLY 1 -28.839 -7.337 -7.337 3 3H GLY 1 2H GLY 1 -30.439 -7.249 -7.249 4 1HA GLY 1 1HA GLY 1 -29.866 -5.402 -5.402 5 2HA GLY 1 2HA GLY 1 -28.848 -6.864 -6.864 6 H GLU 2 H GLU 2 -27.545 -5.136 -5.136 7 HA GLU 2 HA GLU 2 -26.050 -3.383 -3.383 8 1HB GLU 2 2HB GLU 2 -24.895 -2.675 -2.675 9 2HB GLU 2 1HB GLU 2 -26.629 -2.518 -2.518 10 1HG GLU 2 2HG GLU 2 -25.500 -5.152 -5.152 11 2HG GLU 2 1HG GLU 2 -25.133 -3.759 -3.759 12 1HN CGU 3 HN GLA 3 -25.912 -6.546 -6.546 13 HA CGU 3 HA GLA 3 -23.161 -7.134 -7.134 14 1HB CGU 3 1HB GLA 3 -23.731 -9.396 -9.396 15 2HB CGU 3 2HB GLA 3 -25.193 -8.767 -8.767 16 HG CGU 3 HG GLA 3 -25.890 -8.003 -8.003 17 1HN CGU 4 HN GLA 4 -25.014 -7.002 -7.002 18 HA CGU 4 HA GLA 4 -22.687 -7.296 -7.296 19 1HB CGU 4 1HB GLA 4 -24.311 -7.183 -7.183 20 2HB CGU 4 2HB GLA 4 -25.502 -6.448 -6.448 21 HG CGU 4 HG GLA 4 -25.750 -8.480 -8.480 22 H TYR 5 H TYR 5 -23.540 -4.792 -4.792 23 HA TYR 5 HA TYR 5 -23.059 -2.652 -2.652 24 1HB TYR 5 2HB TYR 5 -24.892 -2.276 -2.276 25 2HB TYR 5 1HB TYR 5 -23.771 -2.518 -2.518 26 HD1 TYR 5 HD2 TYR 5 -22.040 -0.821 -0.821 27 HD2 TYR 5 HD1 TYR 5 -24.830 -0.199 -0.199 28 HE1 TYR 5 HE2 TYR 5 -21.417 1.542 1.542 29 HE2 TYR 5 HE1 TYR 5 -24.202 2.165 2.165 30 HH TYR 5 HH TYR 5 -21.727 3.503 3.503 31 H GLN 6 H GLN 6 -21.704 -3.934 -3.934 32 HA GLN 6 HA GLN 6 -19.382 -2.192 -2.192 33 1HB GLN 6 2HB GLN 6 -20.507 -3.309 -3.309 34 2HB GLN 6 1HB GLN 6 -19.636 -4.761 -4.761 35 1HG GLN 6 2HG GLN 6 -17.870 -2.369 -2.369 36 2HG GLN 6 1HG GLN 6 -18.664 -2.625 -2.625 37 1HE2 GLN 6 2HE2 GLN 6 -17.037 -5.765 -5.765 38 2HE2 GLN 6 1HE2 GLN 6 -18.477 -4.916 -4.916 39 H LYS 7 H LYS 7 -20.113 -4.795 -4.795 40 HA LYS 7 HA LYS 7 -17.299 -5.793 -5.793 41 1HB LYS 7 2HB LYS 7 -18.219 -7.652 -7.652 42 2HB LYS 7 1HB LYS 7 -19.384 -7.378 -7.378 43 1HG LYS 7 2HG LYS 7 -20.854 -6.164 -6.164 44 2HG LYS 7 1HG LYS 7 -19.674 -6.278 -6.278 45 1HD LYS 7 2HD LYS 7 -19.810 -8.822 -8.822 46 2HD LYS 7 1HD LYS 7 -21.200 -8.583 -8.583 47 1HE LYS 7 2HE LYS 7 -22.083 -8.869 -8.869 48 2HE LYS 7 1HE LYS 7 -22.188 -7.144 -7.144 49 1HZ LYS 7 2HZ LYS 7 -19.964 -6.966 -6.966 50 2HZ LYS 7 1HZ LYS 7 -20.152 -8.579 -8.579 51 3HZ LYS 7 3HZ LYS 7 -21.251 -7.397 -7.397 52 H MET 8 H MET 8 -19.802 -4.168 -4.168 53 HA MET 8 HA MET 8 -18.152 -3.641 -3.641 54 1HB MET 8 2HB MET 8 -20.235 -2.608 -2.608 55 2HB MET 8 1HB MET 8 -20.575 -4.180 -4.180 56 1HG MET 8 2HG MET 8 -22.278 -2.944 -2.944 57 2HG MET 8 1HG MET 8 -21.137 -2.844 -2.844 58 1HE MET 8 2HE MET 8 -23.607 -1.192 -1.192 59 2HE MET 8 1HE MET 8 -23.798 -0.973 -0.973 60 3HE MET 8 3HE MET 8 -23.575 0.411 0.411 61 H LEU 9 H LEU 9 -18.603 -2.089 -2.089 62 HA LEU 9 HA LEU 9 -18.454 0.627 0.627 63 1HB LEU 9 2HB LEU 9 -18.713 0.834 0.834 64 2HB LEU 9 1HB LEU 9 -18.978 -0.848 -0.848 65 HG LEU 9 HG LEU 9 -17.754 -0.301 -0.301 66 1HD1 LEU 9 3HD1 LEU 9 -16.647 -2.205 -2.205 67 2HD1 LEU 9 2HD1 LEU 9 -15.244 -1.248 -1.248 68 3HD1 LEU 9 1HD1 LEU 9 -16.285 -1.906 -1.906 69 1HD2 LEU 9 3HD2 LEU 9 -16.751 1.926 1.926 70 2HD2 LEU 9 2HD2 LEU 9 -16.053 1.331 1.331 71 3HD2 LEU 9 1HD2 LEU 9 -15.308 0.937 0.937 72 1HN CGU 10 HN GLA 10 -16.317 -1.747 -1.747 73 HA CGU 10 HA GLA 10 -13.820 -0.302 -0.302 74 1HB CGU 10 1HB GLA 10 -14.776 -3.035 -3.035 75 2HB CGU 10 2HB GLA 10 -13.328 -2.287 -2.287 76 HG CGU 10 HG GLA 10 -13.716 -3.648 -3.648 77 H ASN 11 H ASN 11 -15.406 -2.501 -2.501 78 HA ASN 11 HA ASN 11 -13.496 -2.034 -2.034 79 1HB ASN 11 2HB ASN 11 -15.517 -3.861 -3.861 80 2HB ASN 11 1HB ASN 11 -16.332 -2.752 -2.752 81 1HD2 ASN 11 2HD2 ASN 11 -13.480 -5.196 -5.196 82 2HD2 ASN 11 1HD2 ASN 11 -14.065 -5.314 -5.314 83 H LEU 12 H LEU 12 -15.872 -0.046 -0.046 84 HA LEU 12 HA LEU 12 -16.257 1.505 1.505 85 1HB LEU 12 2HB LEU 12 -17.612 1.199 1.199 86 2HB LEU 12 1HB LEU 12 -17.520 2.864 2.864 87 HG LEU 12 HG LEU 12 -18.628 0.633 0.633 88 1HD1 LEU 12 3HD1 LEU 12 -19.915 1.361 1.361 89 2HD1 LEU 12 2HD1 LEU 12 -20.259 2.843 2.843 90 3HD1 LEU 12 1HD1 LEU 12 -20.820 1.303 1.303 91 1HD2 LEU 12 3HD2 LEU 12 -18.243 3.615 3.615 92 2HD2 LEU 12 2HD2 LEU 12 -17.988 2.308 2.308 93 3HD2 LEU 12 1HD2 LEU 12 -19.614 2.838 2.838 94 H ARG 13 H ARG 13 -15.036 1.839 1.839 95 HA ARG 13 HA ARG 13 -13.592 4.354 4.354 96 1HB ARG 13 2HB ARG 13 -13.774 2.868 2.868 97 2HB ARG 13 1HB ARG 13 -13.355 4.547 4.547 98 1HG ARG 13 2HG ARG 13 -16.010 3.984 3.984 99 2HG ARG 13 1HG ARG 13 -15.941 3.461 3.461 100 1HD ARG 13 2HD ARG 13 -15.982 5.553 5.553 101 2HD ARG 13 1HD ARG 13 -14.772 6.157 6.157 102 HE ARG 13 HE ARG 13 -16.475 7.070 7.070 103 1HH1 ARG 13 2HH1 ARG 13 -17.726 4.414 4.414 104 2HH1 ARG 13 1HH1 ARG 13 -19.375 4.690 4.690 105 1HH2 ARG 13 1HH2 ARG 13 -18.519 7.442 7.442 106 2HH2 ARG 13 2HH2 ARG 13 -19.825 6.445 6.445 107 1HN CGU 14 HN GLA 14 -12.858 1.390 1.390 108 HA CGU 14 HA GLA 14 -10.502 0.631 0.631 109 1HB CGU 14 1HB GLA 14 -11.873 -0.633 -0.633 110 2HB CGU 14 2HB GLA 14 -10.165 -0.901 -0.901 111 HG CGU 14 HG GLA 14 -11.347 1.233 1.233 112 H ALA 15 H ALA 15 -11.075 3.198 3.198 113 HA ALA 15 HA ALA 15 -8.260 3.689 3.689 114 1HB ALA 15 2HB ALA 15 -10.817 5.239 5.239 115 2HB ALA 15 1HB ALA 15 -9.256 5.610 5.610 116 3HB ALA 15 3HB ALA 15 -10.067 4.100 4.100 117 H GLU 16 H GLU 16 -10.824 5.072 5.072 118 HA GLU 16 HA GLU 16 -9.315 7.310 7.310 119 1HB GLU 16 2HB GLU 16 -11.968 6.712 6.712 120 2HB GLU 16 1HB GLU 16 -11.628 6.225 6.225 121 1HG GLU 16 2HG GLU 16 -11.293 8.380 8.380 122 2HG GLU 16 1HG GLU 16 -10.444 8.873 8.873 123 H VAL 17 H VAL 17 -9.404 4.014 4.014 124 HA VAL 17 HA VAL 17 -8.895 4.004 4.004 125 HB VAL 17 HB VAL 17 -7.916 2.236 2.236 126 1HG1 VAL 17 2HG1 VAL 17 -7.310 1.895 1.895 127 2HG1 VAL 17 1HG1 VAL 17 -7.287 0.552 0.552 128 3HG1 VAL 17 3HG1 VAL 17 -6.165 1.882 1.882 129 1HG2 VAL 17 1HG2 VAL 17 -10.383 2.401 2.401 130 2HG2 VAL 17 3HG2 VAL 17 -9.720 0.873 0.873 131 3HG2 VAL 17 2HG2 VAL 17 -9.672 1.295 1.295 132 H LYS 18 H LYS 18 -6.825 4.876 4.876 133 HA LYS 18 HA LYS 18 -4.260 4.819 4.819 134 1HB LYS 18 2HB LYS 18 -4.630 5.214 5.214 135 2HB LYS 18 1HB LYS 18 -5.486 6.702 6.702 136 1HG LYS 18 2HG LYS 18 -2.640 6.449 6.449 137 2HG LYS 18 1HG LYS 18 -2.887 6.663 6.663 138 1HD LYS 18 2HD LYS 18 -4.589 8.598 8.598 139 2HD LYS 18 1HD LYS 18 -3.063 8.653 8.653 140 1HE LYS 18 2HE LYS 18 -1.860 9.016 9.016 141 2HE LYS 18 1HE LYS 18 -3.368 8.872 8.872 142 1HZ LYS 18 1HZ LYS 18 -2.788 10.923 10.923 143 2HZ LYS 18 3HZ LYS 18 -2.760 11.169 11.169 144 3HZ LYS 18 2HZ LYS 18 -4.220 10.788 10.788 145 H LYS 19 H LYS 19 -6.463 7.564 7.564 146 HA LYS 19 HA LYS 19 -4.959 9.111 9.111 147 1HB LYS 19 2HB LYS 19 -6.011 10.018 10.018 148 2HB LYS 19 1HB LYS 19 -7.570 9.824 9.824 149 1HG LYS 19 2HG LYS 19 -6.035 11.261 11.261 150 2HG LYS 19 1HG LYS 19 -5.493 11.894 11.894 151 1HD LYS 19 2HD LYS 19 -7.335 13.261 13.261 152 2HD LYS 19 1HD LYS 19 -7.921 12.285 12.285 153 1HE LYS 19 2HE LYS 19 -8.847 10.648 10.648 154 2HE LYS 19 1HE LYS 19 -8.431 11.858 11.858 155 1HZ LYS 19 2HZ LYS 19 -9.804 13.444 13.444 156 2HZ LYS 19 1HZ LYS 19 -10.308 12.161 12.161 157 3HZ LYS 19 3HZ LYS 19 -10.681 12.151 12.151 158 H ASN 20 H ASN 20 -7.439 6.841 6.841 159 HA ASN 20 HA ASN 20 -8.861 7.958 7.958 160 1HB ASN 20 2HB ASN 20 -9.879 6.495 6.495 161 2HB ASN 20 1HB ASN 20 -9.189 5.136 5.136 162 1HD2 ASN 20 2HD2 ASN 20 -11.537 5.273 5.273 163 2HD2 ASN 20 1HD2 ASN 20 -10.064 4.620 4.620 164 H ALA 21 H ALA 21 -6.338 5.674 5.674 165 HA ALA 21 HA ALA 21 -6.390 4.518 4.518 166 1HB ALA 21 2HB ALA 21 -5.806 3.259 3.259 167 2HB ALA 21 1HB ALA 21 -4.264 4.102 4.102 168 3HB ALA 21 3HB ALA 21 -4.711 3.017 3.017 169 1HN NH2 22 1HT ALA 21 -5.982 7.328 7.328 170 2HN NH2 22 2HT ALA 21 -4.401 7.632 7.632 Start of MODEL 6 1 1H GLY 1 2H GLY 1 -27.314 -4.699 -4.699 2 2H GLY 1 1H GLY 1 -28.528 -3.784 -3.784 3 3H GLY 1 3H GLY 1 -28.875 -5.348 -5.348 4 1HA GLY 1 1HA GLY 1 -27.366 -6.300 -6.300 5 2HA GLY 1 2HA GLY 1 -28.633 -5.303 -5.303 6 H GLU 2 H GLU 2 -25.663 -4.605 -4.605 7 HA GLU 2 HA GLU 2 -24.873 -2.671 -2.671 8 1HB GLU 2 2HB GLU 2 -23.151 -1.989 -1.989 9 2HB GLU 2 1HB GLU 2 -24.760 -1.906 -1.906 10 1HG GLU 2 2HG GLU 2 -24.152 -3.343 -3.343 11 2HG GLU 2 1HG GLU 2 -23.701 -4.587 -4.587 12 1HN CGU 3 HN GLA 3 -24.103 -5.827 -5.827 13 HA CGU 3 HA GLA 3 -21.383 -6.063 -6.063 14 1HB CGU 3 1HB GLA 3 -21.853 -8.507 -8.507 15 2HB CGU 3 2HB GLA 3 -23.566 -8.174 -8.174 16 HG CGU 3 HG GLA 3 -23.036 -6.838 -6.838 17 1HN CGU 4 HN GLA 4 -24.355 -6.778 -6.778 18 HA CGU 4 HA GLA 4 -23.220 -7.630 -7.630 19 1HB CGU 4 1HB GLA 4 -25.527 -8.082 -8.082 20 2HB CGU 4 2HB GLA 4 -25.493 -7.113 -7.113 21 HG CGU 4 HG GLA 4 -25.513 -5.341 -5.341 22 H TYR 5 H TYR 5 -23.554 -4.532 -4.532 23 HA TYR 5 HA TYR 5 -23.157 -3.101 -3.101 24 1HB TYR 5 2HB TYR 5 -24.755 -2.337 -2.337 25 2HB TYR 5 1HB TYR 5 -23.279 -1.767 -1.767 26 HD1 TYR 5 HD2 TYR 5 -21.944 0.034 0.034 27 HD2 TYR 5 HD1 TYR 5 -25.572 -1.322 -1.322 28 HE1 TYR 5 HE2 TYR 5 -21.965 2.000 2.000 29 HE2 TYR 5 HE1 TYR 5 -25.590 0.648 0.648 30 HH TYR 5 HH TYR 5 -24.573 2.529 2.529 31 H GLN 6 H GLN 6 -21.534 -4.035 -4.035 32 HA GLN 6 HA GLN 6 -19.273 -2.330 -2.330 33 1HB GLN 6 2HB GLN 6 -20.208 -4.318 -4.318 34 2HB GLN 6 1HB GLN 6 -18.805 -5.102 -5.102 35 1HG GLN 6 2HG GLN 6 -17.517 -2.929 -2.929 36 2HG GLN 6 1HG GLN 6 -18.914 -2.489 -2.489 37 1HE2 GLN 6 2HE2 GLN 6 -16.210 -4.935 -4.935 38 2HE2 GLN 6 1HE2 GLN 6 -15.951 -3.942 -3.942 39 H LYS 7 H LYS 7 -19.847 -5.442 -5.442 40 HA LYS 7 HA LYS 7 -17.192 -5.907 -5.907 41 1HB LYS 7 2HB LYS 7 -18.431 -7.368 -7.368 42 2HB LYS 7 1HB LYS 7 -18.614 -7.789 -7.789 43 1HG LYS 7 2HG LYS 7 -20.842 -7.012 -7.012 44 2HG LYS 7 1HG LYS 7 -20.661 -5.937 -5.937 45 1HD LYS 7 2HD LYS 7 -22.018 -7.762 -7.762 46 2HD LYS 7 1HD LYS 7 -20.456 -7.938 -7.938 47 1HE LYS 7 2HE LYS 7 -21.156 -10.123 -10.123 48 2HE LYS 7 1HE LYS 7 -19.825 -9.607 -9.607 49 1HZ LYS 7 3HZ LYS 7 -22.698 -9.312 -9.312 50 2HZ LYS 7 2HZ LYS 7 -21.667 -10.521 -10.521 51 3HZ LYS 7 1HZ LYS 7 -21.391 -8.893 -8.893 52 H MET 8 H MET 8 -19.931 -4.271 -4.271 53 HA MET 8 HA MET 8 -18.430 -3.626 -3.626 54 1HB MET 8 2HB MET 8 -20.586 -2.536 -2.536 55 2HB MET 8 1HB MET 8 -20.770 -4.214 -4.214 56 1HG MET 8 2HG MET 8 -21.634 -3.597 -3.597 57 2HG MET 8 1HG MET 8 -21.306 -1.905 -1.905 58 1HE MET 8 1HE MET 8 -22.769 -0.278 -0.278 59 2HE MET 8 3HE MET 8 -22.569 -0.936 -0.936 60 3HE MET 8 2HE MET 8 -24.170 -0.585 -0.585 61 H LEU 9 H LEU 9 -18.702 -2.196 -2.196 62 HA LEU 9 HA LEU 9 -18.501 0.571 0.571 63 1HB LEU 9 2HB LEU 9 -19.526 0.531 0.531 64 2HB LEU 9 1HB LEU 9 -18.821 -0.987 -0.987 65 HG LEU 9 HG LEU 9 -16.806 -0.106 -0.106 66 1HD1 LEU 9 3HD1 LEU 9 -17.522 2.316 2.316 67 2HD1 LEU 9 2HD1 LEU 9 -17.010 2.767 2.767 68 3HD1 LEU 9 1HD1 LEU 9 -15.945 1.838 1.838 69 1HD2 LEU 9 3HD2 LEU 9 -18.647 0.008 0.008 70 2HD2 LEU 9 2HD2 LEU 9 -17.486 1.296 1.296 71 3HD2 LEU 9 1HD2 LEU 9 -19.008 1.655 1.655 72 1HN CGU 10 HN GLA 10 -16.721 -1.761 -1.761 73 HA CGU 10 HA GLA 10 -14.184 -0.670 -0.670 74 1HB CGU 10 1HB GLA 10 -13.773 -3.423 -3.423 75 2HB CGU 10 2HB GLA 10 -15.311 -3.369 -3.369 76 HG CGU 10 HG GLA 10 -13.956 -1.880 -1.880 77 H ASN 11 H ASN 11 -15.503 -2.303 -2.303 78 HA ASN 11 HA ASN 11 -13.202 -1.963 -1.963 79 1HB ASN 11 2HB ASN 11 -15.305 -3.660 -3.660 80 2HB ASN 11 1HB ASN 11 -15.900 -2.484 -2.484 81 1HD2 ASN 11 2HD2 ASN 11 -13.873 -3.812 -3.812 82 2HD2 ASN 11 1HD2 ASN 11 -15.305 -3.015 -3.015 83 H LEU 12 H LEU 12 -16.179 -0.173 -0.173 84 HA LEU 12 HA LEU 12 -16.172 1.532 1.532 85 1HB LEU 12 2HB LEU 12 -18.158 2.139 2.139 86 2HB LEU 12 1HB LEU 12 -17.687 1.192 1.192 87 HG LEU 12 HG LEU 12 -16.571 3.147 3.147 88 1HD1 LEU 12 2HD1 LEU 12 -17.097 4.386 4.386 89 2HD1 LEU 12 1HD1 LEU 12 -17.813 5.343 5.343 90 3HD1 LEU 12 3HD1 LEU 12 -16.102 4.991 4.991 91 1HD2 LEU 12 3HD2 LEU 12 -19.500 3.520 3.520 92 2HD2 LEU 12 2HD2 LEU 12 -18.881 2.611 2.611 93 3HD2 LEU 12 1HD2 LEU 12 -18.683 4.348 4.348 94 H ARG 13 H ARG 13 -14.845 2.038 2.038 95 HA ARG 13 HA ARG 13 -13.564 4.541 4.541 96 1HB ARG 13 2HB ARG 13 -14.235 3.518 3.518 97 2HB ARG 13 1HB ARG 13 -12.607 2.881 2.881 98 1HG ARG 13 2HG ARG 13 -12.431 5.024 5.024 99 2HG ARG 13 1HG ARG 13 -11.804 5.256 5.256 100 1HD ARG 13 2HD ARG 13 -13.286 7.112 7.112 101 2HD ARG 13 1HD ARG 13 -14.076 6.172 6.172 102 HE ARG 13 HE ARG 13 -14.768 5.401 5.401 103 1HH1 ARG 13 2HH1 ARG 13 -15.565 7.338 7.338 104 2HH1 ARG 13 1HH1 ARG 13 -17.204 7.561 7.561 105 1HH2 ARG 13 1HH2 ARG 13 -16.878 5.672 5.672 106 2HH2 ARG 13 2HH2 ARG 13 -17.953 6.612 6.612 107 1HN CGU 14 HN GLA 14 -12.608 1.193 1.193 108 HA CGU 14 HA GLA 14 -9.820 1.468 1.468 109 1HB CGU 14 1HB GLA 14 -10.461 -0.836 -0.836 110 2HB CGU 14 2HB GLA 14 -11.795 -0.665 -0.665 111 HG CGU 14 HG GLA 14 -10.114 -0.432 -0.432 112 H ALA 15 H ALA 15 -12.403 1.893 1.893 113 HA ALA 15 HA ALA 15 -11.148 1.548 1.548 114 1HB ALA 15 1HB ALA 15 -13.653 2.055 2.055 115 2HB ALA 15 3HB ALA 15 -13.185 3.745 3.745 116 3HB ALA 15 2HB ALA 15 -12.973 2.766 2.766 117 H GLU 16 H GLU 16 -11.217 4.304 4.304 118 HA GLU 16 HA GLU 16 -9.502 5.899 5.899 119 1HB GLU 16 2HB GLU 16 -11.616 6.662 6.662 120 2HB GLU 16 1HB GLU 16 -10.400 6.899 6.899 121 1HG GLU 16 2HG GLU 16 -9.084 8.240 8.240 122 2HG GLU 16 1HG GLU 16 -10.585 8.210 8.210 123 H VAL 17 H VAL 17 -9.185 3.918 3.918 124 HA VAL 17 HA VAL 17 -6.953 5.098 5.098 125 HB VAL 17 HB VAL 17 -7.975 2.234 2.234 126 1HG1 VAL 17 1HG1 VAL 17 -5.634 3.378 3.378 127 2HG1 VAL 17 3HG1 VAL 17 -6.541 2.008 2.008 128 3HG1 VAL 17 2HG1 VAL 17 -5.699 1.882 1.882 129 1HG2 VAL 17 3HG2 VAL 17 -9.232 4.279 4.279 130 2HG2 VAL 17 2HG2 VAL 17 -9.041 2.810 2.810 131 3HG2 VAL 17 1HG2 VAL 17 -7.970 4.171 4.171 132 H LYS 18 H LYS 18 -7.182 3.599 3.599 133 HA LYS 18 HA LYS 18 -4.867 2.155 2.155 134 1HB LYS 18 2HB LYS 18 -6.581 2.497 2.497 135 2HB LYS 18 1HB LYS 18 -6.219 4.207 4.207 136 1HG LYS 18 2HG LYS 18 -5.178 3.123 3.123 137 2HG LYS 18 1HG LYS 18 -3.902 3.659 3.659 138 1HD LYS 18 2HD LYS 18 -3.658 1.373 1.373 139 2HD LYS 18 1HD LYS 18 -5.027 0.822 0.822 140 1HE LYS 18 2HE LYS 18 -3.809 1.269 1.269 141 2HE LYS 18 1HE LYS 18 -2.473 1.985 1.985 142 1HZ LYS 18 3HZ LYS 18 -2.441 -0.275 -0.275 143 2HZ LYS 18 2HZ LYS 18 -3.292 -0.825 -0.825 144 3HZ LYS 18 1HZ LYS 18 -1.750 -0.134 -0.134 145 H LYS 19 H LYS 19 -5.200 5.625 5.625 146 HA LYS 19 HA LYS 19 -2.579 6.380 6.380 147 1HB LYS 19 2HB LYS 19 -4.343 8.061 8.061 148 2HB LYS 19 1HB LYS 19 -4.631 7.703 7.703 149 1HG LYS 19 2HG LYS 19 -3.381 9.765 9.765 150 2HG LYS 19 1HG LYS 19 -2.293 8.547 8.547 151 1HD LYS 19 2HD LYS 19 -2.011 8.477 8.477 152 2HD LYS 19 1HD LYS 19 -2.115 10.171 10.171 153 1HE LYS 19 2HE LYS 19 -0.172 8.182 8.182 154 2HE LYS 19 1HE LYS 19 0.237 9.376 9.376 155 1HZ LYS 19 3HZ LYS 19 -0.821 10.993 10.993 156 2HZ LYS 19 2HZ LYS 19 -0.428 9.760 9.760 157 3HZ LYS 19 1HZ LYS 19 0.791 10.482 10.482 158 H ASN 20 H ASN 20 -3.963 5.903 5.903 159 HA ASN 20 HA ASN 20 -1.423 6.105 6.105 160 1HB ASN 20 2HB ASN 20 -4.102 6.333 6.333 161 2HB ASN 20 1HB ASN 20 -3.675 4.788 4.788 162 1HD2 ASN 20 2HD2 ASN 20 -1.091 6.288 6.288 163 2HD2 ASN 20 1HD2 ASN 20 -1.300 4.937 4.937 164 H ALA 21 H ALA 21 -2.733 3.694 3.694 165 HA ALA 21 HA ALA 21 -1.771 1.391 1.391 166 1HB ALA 21 2HB ALA 21 -3.856 1.364 1.364 167 2HB ALA 21 1HB ALA 21 -2.793 1.453 1.453 168 3HB ALA 21 3HB ALA 21 -2.725 0.065 0.065 169 1HN NH2 22 1HT ALA 21 0.298 3.350 3.350 170 2HN NH2 22 2HT ALA 21 1.394 2.543 2.543 Start of MODEL 7 1 1H GLY 1 3H GLY 1 -24.074 -9.739 -9.739 2 2H GLY 1 2H GLY 1 -24.690 -9.326 -9.326 3 3H GLY 1 1H GLY 1 -25.441 -10.540 -10.540 4 1HA GLY 1 1HA GLY 1 -26.234 -9.064 -9.064 5 2HA GLY 1 2HA GLY 1 -26.561 -8.341 -8.341 6 H GLU 2 H GLU 2 -24.747 -6.984 -6.984 7 HA GLU 2 HA GLU 2 -24.367 -4.776 -4.776 8 1HB GLU 2 2HB GLU 2 -22.965 -5.495 -5.495 9 2HB GLU 2 1HB GLU 2 -22.811 -3.943 -3.943 10 1HG GLU 2 2HG GLU 2 -25.153 -3.440 -3.440 11 2HG GLU 2 1HG GLU 2 -25.534 -5.086 -5.086 12 1HN CGU 3 HN GLA 3 -22.529 -7.623 -7.623 13 HA CGU 3 HA GLA 3 -19.971 -6.580 -6.580 14 1HB CGU 3 1HB GLA 3 -19.291 -8.882 -8.882 15 2HB CGU 3 2HB GLA 3 -20.945 -9.449 -9.449 16 HG CGU 3 HG GLA 3 -20.214 -7.668 -7.668 17 1HN CGU 4 HN GLA 4 -22.855 -7.628 -7.628 18 HA CGU 4 HA GLA 4 -21.744 -8.124 -8.124 19 1HB CGU 4 1HB GLA 4 -24.251 -7.916 -7.916 20 2HB CGU 4 2HB GLA 4 -24.554 -7.674 -7.674 21 HG CGU 4 HG GLA 4 -24.899 -9.927 -9.927 22 H TYR 5 H TYR 5 -23.264 -5.480 -5.480 23 HA TYR 5 HA TYR 5 -23.295 -3.666 -3.666 24 1HB TYR 5 2HB TYR 5 -24.821 -3.562 -3.562 25 2HB TYR 5 1HB TYR 5 -23.439 -2.919 -2.919 26 HD1 TYR 5 HD2 TYR 5 -25.871 -2.268 -2.268 27 HD2 TYR 5 HD1 TYR 5 -22.589 -0.664 -0.664 28 HE1 TYR 5 HE2 TYR 5 -26.352 -0.044 -0.044 29 HE2 TYR 5 HE1 TYR 5 -23.073 1.558 1.558 30 HH TYR 5 HH TYR 5 -24.460 2.793 2.793 31 H GLN 6 H GLN 6 -21.199 -4.456 -4.456 32 HA GLN 6 HA GLN 6 -19.333 -2.271 -2.271 33 1HB GLN 6 2HB GLN 6 -19.404 -4.888 -4.888 34 2HB GLN 6 1HB GLN 6 -17.843 -4.142 -4.142 35 1HG GLN 6 2HG GLN 6 -18.798 -2.019 -2.019 36 2HG GLN 6 1HG GLN 6 -20.261 -2.923 -2.923 37 1HE2 GLN 6 2HE2 GLN 6 -16.838 -3.569 -3.569 38 2HE2 GLN 6 1HE2 GLN 6 -16.818 -2.603 -2.603 39 H LYS 7 H LYS 7 -19.743 -5.389 -5.389 40 HA LYS 7 HA LYS 7 -17.129 -5.776 -5.776 41 1HB LYS 7 2HB LYS 7 -18.826 -7.574 -7.574 42 2HB LYS 7 1HB LYS 7 -19.871 -6.683 -6.683 43 1HG LYS 7 2HG LYS 7 -18.831 -8.301 -8.301 44 2HG LYS 7 1HG LYS 7 -17.968 -6.825 -6.825 45 1HD LYS 7 2HD LYS 7 -16.121 -7.484 -7.484 46 2HD LYS 7 1HD LYS 7 -17.024 -8.888 -8.888 47 1HE LYS 7 2HE LYS 7 -16.986 -9.796 -9.796 48 2HE LYS 7 1HE LYS 7 -16.019 -8.415 -8.415 49 1HZ LYS 7 1HZ LYS 7 -14.365 -9.070 -9.070 50 2HZ LYS 7 3HZ LYS 7 -15.279 -10.463 -10.463 51 3HZ LYS 7 2HZ LYS 7 -14.596 -10.244 -10.244 52 H MET 8 H MET 8 -20.032 -4.390 -4.390 53 HA MET 8 HA MET 8 -18.742 -3.503 -3.503 54 1HB MET 8 2HB MET 8 -21.251 -3.987 -3.987 55 2HB MET 8 1HB MET 8 -21.317 -2.369 -2.369 56 1HG MET 8 2HG MET 8 -20.036 -2.530 -2.530 57 2HG MET 8 1HG MET 8 -21.690 -3.052 -3.052 58 1HE MET 8 2HE MET 8 -23.632 -1.699 -1.699 59 2HE MET 8 1HE MET 8 -23.542 -1.258 -1.258 60 3HE MET 8 3HE MET 8 -23.789 -0.027 -0.027 61 H LEU 9 H LEU 9 -18.880 -2.132 -2.132 62 HA LEU 9 HA LEU 9 -18.463 0.632 0.632 63 1HB LEU 9 2HB LEU 9 -19.434 0.669 0.669 64 2HB LEU 9 1HB LEU 9 -18.973 -0.953 -0.953 65 HG LEU 9 HG LEU 9 -16.834 -0.328 -0.328 66 1HD1 LEU 9 2HD1 LEU 9 -17.345 2.245 2.245 67 2HD1 LEU 9 1HD1 LEU 9 -16.824 2.535 2.535 68 3HD1 LEU 9 3HD1 LEU 9 -15.816 1.604 1.604 69 1HD2 LEU 9 3HD2 LEU 9 -18.683 -0.210 -0.210 70 2HD2 LEU 9 2HD2 LEU 9 -17.445 0.968 0.968 71 3HD2 LEU 9 1HD2 LEU 9 -18.933 1.491 1.491 72 1HN CGU 10 HN GLA 10 -16.705 -1.724 -1.724 73 HA CGU 10 HA GLA 10 -14.137 -0.625 -0.625 74 1HB CGU 10 1HB GLA 10 -13.588 -3.340 -3.340 75 2HB CGU 10 2HB GLA 10 -15.241 -3.380 -3.380 76 HG CGU 10 HG GLA 10 -14.275 -1.540 -1.540 77 H ASN 11 H ASN 11 -15.698 -1.959 -1.959 78 HA ASN 11 HA ASN 11 -13.168 -2.071 -2.071 79 1HB ASN 11 2HB ASN 11 -15.377 -3.710 -3.710 80 2HB ASN 11 1HB ASN 11 -15.795 -2.583 -2.583 81 1HD2 ASN 11 2HD2 ASN 11 -13.366 -3.834 -3.834 82 2HD2 ASN 11 1HD2 ASN 11 -14.584 -2.682 -2.682 83 H LEU 12 H LEU 12 -16.063 -0.250 -0.250 84 HA LEU 12 HA LEU 12 -15.926 1.388 1.388 85 1HB LEU 12 2HB LEU 12 -17.515 1.268 1.268 86 2HB LEU 12 1HB LEU 12 -17.217 2.921 2.921 87 HG LEU 12 HG LEU 12 -18.346 0.860 0.860 88 1HD1 LEU 12 1HD1 LEU 12 -19.865 1.266 1.266 89 2HD1 LEU 12 3HD1 LEU 12 -19.795 2.989 2.989 90 3HD1 LEU 12 2HD1 LEU 12 -20.543 1.906 1.906 91 1HD2 LEU 12 3HD2 LEU 12 -17.194 2.963 2.963 92 2HD2 LEU 12 2HD2 LEU 12 -18.882 2.786 2.786 93 3HD2 LEU 12 1HD2 LEU 12 -18.414 3.911 3.911 94 H ARG 13 H ARG 13 -15.061 2.079 2.079 95 HA ARG 13 HA ARG 13 -13.795 4.598 4.598 96 1HB ARG 13 2HB ARG 13 -13.868 2.602 2.602 97 2HB ARG 13 1HB ARG 13 -12.564 3.768 3.768 98 1HG ARG 13 2HG ARG 13 -15.427 4.670 4.670 99 2HG ARG 13 1HG ARG 13 -14.827 4.365 4.365 100 1HD ARG 13 2HD ARG 13 -13.079 6.020 6.020 101 2HD ARG 13 1HD ARG 13 -13.407 6.263 6.263 102 HE ARG 13 HE ARG 13 -14.927 7.348 7.348 103 1HH1 ARG 13 2HH1 ARG 13 -15.006 6.489 6.489 104 2HH1 ARG 13 1HH1 ARG 13 -16.325 7.559 7.559 105 1HH2 ARG 13 1HH2 ARG 13 -16.564 8.698 8.698 106 2HH2 ARG 13 2HH2 ARG 13 -17.211 8.839 8.839 107 1HN CGU 14 HN GLA 14 -12.672 1.293 1.293 108 HA CGU 14 HA GLA 14 -9.874 1.981 1.981 109 1HB CGU 14 1HB GLA 14 -10.079 -0.630 -0.630 110 2HB CGU 14 2HB GLA 14 -11.529 -0.480 -0.480 111 HG CGU 14 HG GLA 14 -10.034 0.510 0.510 112 H ALA 15 H ALA 15 -12.560 1.779 1.779 113 HA ALA 15 HA ALA 15 -11.291 1.062 1.062 114 1HB ALA 15 3HB ALA 15 -13.842 1.381 1.381 115 2HB ALA 15 2HB ALA 15 -13.559 3.078 3.078 116 3HB ALA 15 1HB ALA 15 -13.250 1.867 1.867 117 H GLU 16 H GLU 16 -11.839 4.150 4.150 118 HA GLU 16 HA GLU 16 -10.526 5.763 5.763 119 1HB GLU 16 2HB GLU 16 -11.515 6.167 6.167 120 2HB GLU 16 1HB GLU 16 -10.422 7.363 7.363 121 1HG GLU 16 2HG GLU 16 -12.582 6.705 6.705 122 2HG GLU 16 1HG GLU 16 -13.210 7.264 7.264 123 H VAL 17 H VAL 17 -9.603 4.643 4.643 124 HA VAL 17 HA VAL 17 -6.969 5.571 5.571 125 HB VAL 17 HB VAL 17 -8.204 3.183 3.183 126 1HG1 VAL 17 1HG1 VAL 17 -5.611 4.697 4.697 127 2HG1 VAL 17 3HG1 VAL 17 -6.413 3.806 3.806 128 3HG1 VAL 17 2HG1 VAL 17 -5.843 2.961 2.961 129 1HG2 VAL 17 3HG2 VAL 17 -9.274 5.559 5.559 130 2HG2 VAL 17 2HG2 VAL 17 -8.840 4.671 4.671 131 3HG2 VAL 17 1HG2 VAL 17 -7.803 5.961 5.961 132 H LYS 18 H LYS 18 -8.296 2.972 2.972 133 HA LYS 18 HA LYS 18 -6.164 1.111 1.111 134 1HB LYS 18 2HB LYS 18 -8.568 0.913 0.913 135 2HB LYS 18 1HB LYS 18 -7.982 1.823 1.823 136 1HG LYS 18 2HG LYS 18 -6.082 -0.303 -0.303 137 2HG LYS 18 1HG LYS 18 -7.671 -1.016 -1.016 138 1HD LYS 18 2HD LYS 18 -6.819 0.726 0.726 139 2HD LYS 18 1HD LYS 18 -6.692 -1.022 -1.022 140 1HE LYS 18 2HE LYS 18 -9.255 -0.984 -0.984 141 2HE LYS 18 1HE LYS 18 -9.204 0.673 0.673 142 1HZ LYS 18 1HZ LYS 18 -8.040 -1.438 -1.438 143 2HZ LYS 18 3HZ LYS 18 -9.730 -1.289 -1.289 144 3HZ LYS 18 2HZ LYS 18 -8.785 0.020 0.020 145 H LYS 19 H LYS 19 -6.867 3.921 3.921 146 HA LYS 19 HA LYS 19 -4.657 3.701 3.701 147 1HB LYS 19 2HB LYS 19 -6.291 6.083 6.083 148 2HB LYS 19 1HB LYS 19 -5.072 6.246 6.246 149 1HG LYS 19 2HG LYS 19 -7.060 4.031 4.031 150 2HG LYS 19 1HG LYS 19 -7.717 5.652 5.652 151 1HD LYS 19 2HD LYS 19 -6.005 6.299 6.299 152 2HD LYS 19 1HD LYS 19 -5.357 4.668 4.668 153 1HE LYS 19 2HE LYS 19 -7.718 3.858 3.858 154 2HE LYS 19 1HE LYS 19 -8.118 5.546 5.546 155 1HZ LYS 19 2HZ LYS 19 -5.665 4.841 4.841 156 2HZ LYS 19 1HZ LYS 19 -6.929 3.831 3.831 157 3HZ LYS 19 3HZ LYS 19 -7.070 5.515 5.515 158 H ASN 20 H ASN 20 -5.072 5.228 5.228 159 HA ASN 20 HA ASN 20 -2.437 6.420 6.420 160 1HB ASN 20 2HB ASN 20 -4.619 7.058 7.058 161 2HB ASN 20 1HB ASN 20 -4.204 5.747 5.747 162 1HD2 ASN 20 2HD2 ASN 20 -1.462 7.470 7.470 163 2HD2 ASN 20 1HD2 ASN 20 -2.192 5.951 5.951 164 H ALA 21 H ALA 21 -3.733 3.316 3.316 165 HA ALA 21 HA ALA 21 -1.628 2.364 2.364 166 1HB ALA 21 3HB ALA 21 -4.103 1.494 1.494 167 2HB ALA 21 2HB ALA 21 -3.478 0.561 0.561 168 3HB ALA 21 1HB ALA 21 -2.825 0.326 0.326 169 1HN NH2 22 1HT ALA 21 -1.998 2.687 2.687 170 2HN NH2 22 2HT ALA 21 -0.634 1.779 1.779 Start of MODEL 8 1 1H GLY 1 3H GLY 1 -28.443 -4.645 -4.645 2 2H GLY 1 2H GLY 1 -28.316 -5.986 -5.986 3 3H GLY 1 1H GLY 1 -29.824 -5.257 -5.257 4 1HA GLY 1 1HA GLY 1 -29.199 -3.319 -3.319 5 2HA GLY 1 2HA GLY 1 -28.779 -4.741 -4.741 6 H GLU 2 H GLU 2 -27.369 -3.230 -3.230 7 HA GLU 2 HA GLU 2 -25.225 -1.820 -1.820 8 1HB GLU 2 2HB GLU 2 -24.123 -2.163 -2.163 9 2HB GLU 2 1HB GLU 2 -25.767 -1.568 -1.568 10 1HG GLU 2 2HG GLU 2 -26.449 -4.099 -4.099 11 2HG GLU 2 1HG GLU 2 -24.757 -4.370 -4.370 12 1HN CGU 3 HN GLA 3 -25.211 -5.156 -5.156 13 HA CGU 3 HA GLA 3 -22.511 -5.800 -5.800 14 1HB CGU 3 1HB GLA 3 -23.725 -7.301 -7.301 15 2HB CGU 3 2HB GLA 3 -23.430 -8.198 -8.198 16 HG CGU 3 HG GLA 3 -25.955 -6.686 -6.686 17 1HN CGU 4 HN GLA 4 -25.437 -5.930 -5.930 18 HA CGU 4 HA GLA 4 -24.350 -7.171 -7.171 19 1HB CGU 4 1HB GLA 4 -26.545 -5.364 -5.364 20 2HB CGU 4 2HB GLA 4 -26.841 -6.089 -6.089 21 HG CGU 4 HG GLA 4 -26.275 -8.321 -8.321 22 H TYR 5 H TYR 5 -24.327 -3.911 -3.911 23 HA TYR 5 HA TYR 5 -23.288 -2.839 -2.839 24 1HB TYR 5 2HB TYR 5 -24.991 -1.747 -1.747 25 2HB TYR 5 1HB TYR 5 -23.462 -0.966 -0.966 26 HD1 TYR 5 HD1 TYR 5 -22.240 0.237 0.237 27 HD2 TYR 5 HD2 TYR 5 -26.248 -1.151 -1.151 28 HE1 TYR 5 HE1 TYR 5 -22.555 1.709 1.709 29 HE2 TYR 5 HE2 TYR 5 -26.559 0.326 0.326 30 HH TYR 5 HH TYR 5 -25.679 1.931 1.931 31 H GLN 6 H GLN 6 -21.991 -4.244 -4.244 32 HA GLN 6 HA GLN 6 -19.690 -2.531 -2.531 33 1HB GLN 6 2HB GLN 6 -20.743 -4.962 -4.962 34 2HB GLN 6 1HB GLN 6 -19.089 -5.285 -5.285 35 1HG GLN 6 2HG GLN 6 -19.370 -2.649 -2.649 36 2HG GLN 6 1HG GLN 6 -19.988 -3.958 -3.958 37 1HE2 GLN 6 2HE2 GLN 6 -16.722 -5.636 -5.636 38 2HE2 GLN 6 1HE2 GLN 6 -18.340 -6.045 -6.045 39 H LYS 7 H LYS 7 -19.994 -5.722 -5.722 40 HA LYS 7 HA LYS 7 -17.559 -6.204 -6.204 41 1HB LYS 7 2HB LYS 7 -20.358 -6.809 -6.809 42 2HB LYS 7 1HB LYS 7 -19.148 -7.067 -7.067 43 1HG LYS 7 2HG LYS 7 -17.960 -8.301 -8.301 44 2HG LYS 7 1HG LYS 7 -19.661 -8.544 -8.544 45 1HD LYS 7 2HD LYS 7 -19.045 -10.442 -10.442 46 2HD LYS 7 1HD LYS 7 -19.882 -9.400 -9.400 47 1HE LYS 7 2HE LYS 7 -17.874 -10.121 -10.121 48 2HE LYS 7 1HE LYS 7 -17.541 -8.468 -8.468 49 1HZ LYS 7 1HZ LYS 7 -16.869 -10.555 -10.555 50 2HZ LYS 7 3HZ LYS 7 -15.914 -10.459 -10.459 51 3HZ LYS 7 2HZ LYS 7 -16.056 -9.111 -9.111 52 H MET 8 H MET 8 -19.861 -3.988 -3.988 53 HA MET 8 HA MET 8 -18.087 -3.419 -3.419 54 1HB MET 8 2HB MET 8 -19.965 -1.599 -1.599 55 2HB MET 8 1HB MET 8 -20.347 -3.276 -3.276 56 1HG MET 8 2HG MET 8 -20.947 -2.473 -2.473 57 2HG MET 8 1HG MET 8 -21.700 -1.405 -1.405 58 1HE MET 8 1HE MET 8 -20.743 -5.054 -5.054 59 2HE MET 8 3HE MET 8 -21.368 -4.805 -4.805 60 3HE MET 8 2HE MET 8 -22.193 -5.877 -5.877 61 H LEU 9 H LEU 9 -19.175 -1.963 -1.963 62 HA LEU 9 HA LEU 9 -18.265 0.557 0.557 63 1HB LEU 9 2HB LEU 9 -19.165 -0.771 -0.771 64 2HB LEU 9 1HB LEU 9 -17.661 -0.009 -0.009 65 HG LEU 9 HG LEU 9 -20.038 1.336 1.336 66 1HD1 LEU 9 2HD1 LEU 9 -20.218 0.915 0.915 67 2HD1 LEU 9 1HD1 LEU 9 -18.684 1.742 1.742 68 3HD1 LEU 9 3HD1 LEU 9 -20.081 2.638 2.638 69 1HD2 LEU 9 3HD2 LEU 9 -17.176 2.304 2.304 70 2HD2 LEU 9 2HD2 LEU 9 -18.222 2.586 2.586 71 3HD2 LEU 9 1HD2 LEU 9 -18.477 3.473 3.473 72 1HN CGU 10 HN GLA 10 -16.521 -2.144 -2.144 73 HA CGU 10 HA GLA 10 -14.051 -0.869 -0.869 74 1HB CGU 10 1HB GLA 10 -13.209 -3.346 -3.346 75 2HB CGU 10 2HB GLA 10 -14.908 -3.720 -3.720 76 HG CGU 10 HG GLA 10 -14.017 -2.117 -2.117 77 H ASN 11 H ASN 11 -15.395 -2.286 -2.286 78 HA ASN 11 HA ASN 11 -12.973 -1.656 -1.656 79 1HB ASN 11 2HB ASN 11 -14.595 -3.843 -3.843 80 2HB ASN 11 1HB ASN 11 -15.397 -2.853 -2.853 81 1HD2 ASN 11 2HD2 ASN 11 -12.860 -3.242 -3.242 82 2HD2 ASN 11 1HD2 ASN 11 -14.375 -2.581 -2.581 83 H LEU 12 H LEU 12 -15.481 0.156 0.156 84 HA LEU 12 HA LEU 12 -16.171 1.393 1.393 85 1HB LEU 12 2HB LEU 12 -17.177 1.527 1.527 86 2HB LEU 12 1HB LEU 12 -17.199 3.078 3.078 87 HG LEU 12 HG LEU 12 -18.428 0.568 0.568 88 1HD1 LEU 12 2HD1 LEU 12 -19.722 2.733 2.733 89 2HD1 LEU 12 1HD1 LEU 12 -20.639 1.706 1.706 90 3HD1 LEU 12 3HD1 LEU 12 -19.770 0.996 0.996 91 1HD2 LEU 12 3HD2 LEU 12 -18.469 3.531 3.531 92 2HD2 LEU 12 2HD2 LEU 12 -18.001 2.183 2.183 93 3HD2 LEU 12 1HD2 LEU 12 -19.686 2.423 2.423 94 H ARG 13 H ARG 13 -14.574 2.318 2.318 95 HA ARG 13 HA ARG 13 -13.577 4.869 4.869 96 1HB ARG 13 2HB ARG 13 -13.980 4.202 4.202 97 2HB ARG 13 1HB ARG 13 -12.535 3.217 3.217 98 1HG ARG 13 2HG ARG 13 -11.244 5.289 5.289 99 2HG ARG 13 1HG ARG 13 -12.685 6.240 6.240 100 1HD ARG 13 2HD ARG 13 -11.140 4.606 4.606 101 2HD ARG 13 1HD ARG 13 -11.256 6.351 6.351 102 HE ARG 13 HE ARG 13 -13.452 6.282 6.282 103 1HH1 ARG 13 2HH1 ARG 13 -12.207 3.087 3.087 104 2HH1 ARG 13 1HH1 ARG 13 -13.449 2.328 2.328 105 1HH2 ARG 13 1HH2 ARG 13 -15.025 5.341 5.341 106 2HH2 ARG 13 2HH2 ARG 13 -15.069 3.622 3.622 107 1HN CGU 14 HN GLA 14 -12.333 1.655 1.655 108 HA CGU 14 HA GLA 14 -9.717 2.170 2.170 109 1HB CGU 14 1HB GLA 14 -9.826 -0.498 -0.498 110 2HB CGU 14 2HB GLA 14 -11.280 -0.281 -0.281 111 HG CGU 14 HG GLA 14 -9.701 1.302 1.302 112 H ALA 15 H ALA 15 -12.828 1.511 1.511 113 HA ALA 15 HA ALA 15 -12.128 0.160 0.160 114 1HB ALA 15 3HB ALA 15 -14.409 1.745 1.745 115 2HB ALA 15 2HB ALA 15 -13.983 2.225 2.225 116 3HB ALA 15 1HB ALA 15 -14.331 0.546 0.546 117 H GLU 16 H GLU 16 -11.705 3.477 3.477 118 HA GLU 16 HA GLU 16 -10.969 4.554 4.554 119 1HB GLU 16 2HB GLU 16 -11.566 6.020 6.020 120 2HB GLU 16 1HB GLU 16 -10.251 5.395 5.395 121 1HG GLU 16 2HG GLU 16 -9.680 7.636 7.636 122 2HG GLU 16 1HG GLU 16 -8.579 6.377 6.377 123 H VAL 17 H VAL 17 -8.840 3.767 3.767 124 HA VAL 17 HA VAL 17 -6.437 3.870 3.870 125 HB VAL 17 HB VAL 17 -7.100 2.322 2.322 126 1HG1 VAL 17 3HG1 VAL 17 -4.452 3.061 3.061 127 2HG1 VAL 17 2HG1 VAL 17 -4.562 2.815 2.815 128 3HG1 VAL 17 1HG1 VAL 17 -4.959 1.507 1.507 129 1HG2 VAL 17 2HG2 VAL 17 -6.053 5.159 5.159 130 2HG2 VAL 17 1HG2 VAL 17 -7.638 4.729 4.729 131 3HG2 VAL 17 3HG2 VAL 17 -6.205 4.376 4.376 132 H LYS 18 H LYS 18 -8.762 1.369 1.369 133 HA LYS 18 HA LYS 18 -7.147 -0.900 -0.900 134 1HB LYS 18 2HB LYS 18 -10.078 -0.232 -0.232 135 2HB LYS 18 1HB LYS 18 -9.552 -1.652 -1.652 136 1HG LYS 18 2HG LYS 18 -8.285 -1.765 -1.765 137 2HG LYS 18 1HG LYS 18 -9.932 -1.263 -1.263 138 1HD LYS 18 2HD LYS 18 -10.832 -3.264 -3.264 139 2HD LYS 18 1HD LYS 18 -9.732 -3.519 -3.519 140 1HE LYS 18 2HE LYS 18 -8.191 -4.649 -4.649 141 2HE LYS 18 1HE LYS 18 -8.490 -3.689 -3.689 142 1HZ LYS 18 1HZ LYS 18 -10.684 -5.367 -5.367 143 2HZ LYS 18 3HZ LYS 18 -9.308 -6.176 -6.176 144 3HZ LYS 18 2HZ LYS 18 -10.101 -5.044 -5.044 145 H LYS 19 H LYS 19 -8.751 1.481 1.481 146 HA LYS 19 HA LYS 19 -8.334 0.083 0.083 147 1HB LYS 19 2HB LYS 19 -8.835 2.176 2.176 148 2HB LYS 19 1HB LYS 19 -9.870 2.063 2.063 149 1HG LYS 19 2HG LYS 19 -9.146 4.095 4.095 150 2HG LYS 19 1HG LYS 19 -7.563 3.417 3.417 151 1HD LYS 19 2HD LYS 19 -7.002 5.094 5.094 152 2HD LYS 19 1HD LYS 19 -7.231 3.784 3.784 153 1HE LYS 19 2HE LYS 19 -9.508 5.672 5.672 154 2HE LYS 19 1HE LYS 19 -8.397 6.031 6.031 155 1HZ LYS 19 2HZ LYS 19 -10.009 3.557 3.557 156 2HZ LYS 19 1HZ LYS 19 -10.423 4.918 4.918 157 3HZ LYS 19 3HZ LYS 19 -9.022 4.030 4.030 158 H ASN 20 H ASN 20 -6.249 1.962 1.962 159 HA ASN 20 HA ASN 20 -4.176 2.469 2.469 160 1HB ASN 20 2HB ASN 20 -4.493 3.735 3.735 161 2HB ASN 20 1HB ASN 20 -3.865 2.314 2.314 162 1HD2 ASN 20 2HD2 ASN 20 -0.519 2.767 2.767 163 2HD2 ASN 20 1HD2 ASN 20 -1.632 1.586 1.586 164 H ALA 21 H ALA 21 -4.901 0.010 0.010 165 HA ALA 21 HA ALA 21 -2.469 -1.550 -1.550 166 1HB ALA 21 1HB ALA 21 -3.588 -1.479 -1.479 167 2HB ALA 21 3HB ALA 21 -4.995 -2.273 -2.273 168 3HB ALA 21 2HB ALA 21 -3.457 -3.119 -3.119 169 1HN NH2 22 1HT ALA 21 -5.411 -1.218 -1.218 170 2HN NH2 22 2HT ALA 21 -5.388 -2.698 -2.698 Start of MODEL 9 1 1H GLY 1 1H GLY 1 -28.231 -2.978 -2.978 2 2H GLY 1 3H GLY 1 -27.803 -3.926 -3.926 3 3H GLY 1 2H GLY 1 -29.069 -2.804 -2.804 4 1HA GLY 1 1HA GLY 1 -27.603 -0.996 -0.996 5 2HA GLY 1 2HA GLY 1 -27.031 -2.061 -2.061 6 H GLU 2 H GLU 2 -24.931 -1.213 -1.213 7 HA GLU 2 HA GLU 2 -23.572 -1.784 -1.784 8 1HB GLU 2 2HB GLU 2 -23.308 0.374 0.374 9 2HB GLU 2 1HB GLU 2 -22.240 -0.595 -0.595 10 1HG GLU 2 2HG GLU 2 -21.452 -1.129 -1.129 11 2HG GLU 2 1HG GLU 2 -21.780 0.591 0.591 12 1HN CGU 3 HN GLA 3 -24.433 -3.963 -3.963 13 HA CGU 3 HA GLA 3 -21.907 -5.169 -5.169 14 1HB CGU 3 1HB GLA 3 -23.359 -7.012 -7.012 15 2HB CGU 3 2HB GLA 3 -24.741 -6.327 -6.327 16 HG CGU 3 HG GLA 3 -23.187 -4.791 -4.791 17 1HN CGU 4 HN GLA 4 -24.276 -5.337 -5.337 18 HA CGU 4 HA GLA 4 -23.067 -7.567 -7.567 19 1HB CGU 4 1HB GLA 4 -25.440 -7.707 -7.707 20 2HB CGU 4 2HB GLA 4 -25.153 -7.234 -7.234 21 HG CGU 4 HG GLA 4 -25.286 -4.783 -4.783 22 H TYR 5 H TYR 5 -23.624 -4.143 -4.143 23 HA TYR 5 HA TYR 5 -22.690 -3.826 -3.826 24 1HB TYR 5 2HB TYR 5 -24.460 -2.384 -2.384 25 2HB TYR 5 1HB TYR 5 -23.494 -1.871 -1.871 26 HD1 TYR 5 HD1 TYR 5 -21.510 -0.357 -0.357 27 HD2 TYR 5 HD2 TYR 5 -24.195 -1.342 -1.342 28 HE1 TYR 5 HE1 TYR 5 -20.669 1.533 1.533 29 HE2 TYR 5 HE2 TYR 5 -23.349 0.556 0.556 30 HH TYR 5 HH TYR 5 -20.855 2.716 2.716 31 H GLN 6 H GLN 6 -21.115 -3.941 -3.941 32 HA GLN 6 HA GLN 6 -19.008 -2.121 -2.121 33 1HB GLN 6 2HB GLN 6 -18.073 -3.255 -3.255 34 2HB GLN 6 1HB GLN 6 -19.661 -3.964 -3.964 35 1HG GLN 6 2HG GLN 6 -17.283 -5.295 -5.295 36 2HG GLN 6 1HG GLN 6 -17.816 -5.636 -5.636 37 1HE2 GLN 6 2HE2 GLN 6 -19.413 -8.287 -8.287 38 2HE2 GLN 6 1HE2 GLN 6 -17.909 -7.872 -7.872 39 H LYS 7 H LYS 7 -19.415 -5.221 -5.221 40 HA LYS 7 HA LYS 7 -16.768 -5.526 -5.526 41 1HB LYS 7 2HB LYS 7 -19.363 -6.874 -6.874 42 2HB LYS 7 1HB LYS 7 -18.635 -6.748 -6.748 43 1HG LYS 7 2HG LYS 7 -16.453 -7.594 -7.594 44 2HG LYS 7 1HG LYS 7 -17.771 -8.327 -8.327 45 1HD LYS 7 2HD LYS 7 -17.288 -9.980 -9.980 46 2HD LYS 7 1HD LYS 7 -18.616 -9.133 -9.133 47 1HE LYS 7 2HE LYS 7 -16.802 -7.687 -7.687 48 2HE LYS 7 1HE LYS 7 -15.640 -8.868 -8.868 49 1HZ LYS 7 3HZ LYS 7 -18.033 -9.651 -9.651 50 2HZ LYS 7 2HZ LYS 7 -16.568 -9.227 -9.227 51 3HZ LYS 7 1HZ LYS 7 -16.631 -10.559 -10.559 52 H MET 8 H MET 8 -19.726 -4.178 -4.178 53 HA MET 8 HA MET 8 -18.573 -3.377 -3.377 54 1HB MET 8 2HB MET 8 -21.046 -3.730 -3.730 55 2HB MET 8 1HB MET 8 -21.048 -2.238 -2.238 56 1HG MET 8 2HG MET 8 -20.793 -0.916 -0.916 57 2HG MET 8 1HG MET 8 -19.855 -2.093 -2.093 58 1HE MET 8 3HE MET 8 -22.951 -0.227 -0.227 59 2HE MET 8 2HE MET 8 -24.262 -1.257 -1.257 60 3HE MET 8 1HE MET 8 -23.545 -1.547 -1.547 61 H LEU 9 H LEU 9 -18.789 -1.928 -1.928 62 HA LEU 9 HA LEU 9 -18.270 0.796 0.796 63 1HB LEU 9 2HB LEU 9 -18.573 0.985 0.985 64 2HB LEU 9 1HB LEU 9 -18.710 -0.726 -0.726 65 HG LEU 9 HG LEU 9 -16.349 -0.928 -0.928 66 1HD1 LEU 9 2HD1 LEU 9 -15.980 1.699 1.699 67 2HD1 LEU 9 1HD1 LEU 9 -15.546 1.817 1.817 68 3HD1 LEU 9 3HD1 LEU 9 -14.757 0.644 0.644 69 1HD2 LEU 9 3HD2 LEU 9 -17.738 1.257 1.257 70 2HD2 LEU 9 2HD2 LEU 9 -17.931 -0.475 -0.475 71 3HD2 LEU 9 1HD2 LEU 9 -16.395 0.290 0.290 72 1HN CGU 10 HN GLA 10 -16.360 -1.735 -1.735 73 HA CGU 10 HA GLA 10 -13.755 -0.699 -0.699 74 1HB CGU 10 1HB GLA 10 -13.196 -3.274 -3.274 75 2HB CGU 10 2HB GLA 10 -14.917 -3.503 -3.503 76 HG CGU 10 HG GLA 10 -14.574 -1.834 -1.834 77 H ASN 11 H ASN 11 -15.846 -2.077 -2.077 78 HA ASN 11 HA ASN 11 -13.749 -1.993 -1.993 79 1HB ASN 11 2HB ASN 11 -15.334 -4.010 -4.010 80 2HB ASN 11 1HB ASN 11 -16.657 -2.964 -2.964 81 1HD2 ASN 11 2HD2 ASN 11 -14.100 -4.404 -4.404 82 2HD2 ASN 11 1HD2 ASN 11 -13.733 -4.581 -4.581 83 H LEU 12 H LEU 12 -16.017 0.119 0.119 84 HA LEU 12 HA LEU 12 -16.599 1.422 1.422 85 1HB LEU 12 2HB LEU 12 -18.540 1.563 1.563 86 2HB LEU 12 1HB LEU 12 -17.595 1.401 1.401 87 HG LEU 12 HG LEU 12 -16.939 3.617 3.617 88 1HD1 LEU 12 1HD1 LEU 12 -18.087 3.748 3.748 89 2HD1 LEU 12 3HD1 LEU 12 -18.271 5.192 5.192 90 3HD1 LEU 12 2HD1 LEU 12 -16.673 4.568 4.568 91 1HD2 LEU 12 3HD2 LEU 12 -19.917 3.359 3.359 92 2HD2 LEU 12 2HD2 LEU 12 -19.099 3.109 3.109 93 3HD2 LEU 12 1HD2 LEU 12 -19.188 4.717 4.717 94 H ARG 13 H ARG 13 -15.429 2.297 2.297 95 HA ARG 13 HA ARG 13 -13.571 4.302 4.302 96 1HB ARG 13 2HB ARG 13 -13.408 4.977 4.977 97 2HB ARG 13 1HB ARG 13 -14.979 5.158 5.158 98 1HG ARG 13 2HG ARG 13 -15.748 3.062 3.062 99 2HG ARG 13 1HG ARG 13 -14.166 2.810 2.810 100 1HD ARG 13 2HD ARG 13 -15.568 3.851 3.851 101 2HD ARG 13 1HD ARG 13 -14.511 5.116 5.116 102 HE ARG 13 HE ARG 13 -16.362 6.192 6.192 103 1HH1 ARG 13 2HH1 ARG 13 -17.193 2.936 2.936 104 2HH1 ARG 13 1HH1 ARG 13 -18.877 3.168 3.168 105 1HH2 ARG 13 1HH2 ARG 13 -18.494 6.492 6.492 106 2HH2 ARG 13 2HH2 ARG 13 -19.623 5.200 5.200 107 1HN CGU 14 HN GLA 14 -12.910 1.504 1.504 108 HA CGU 14 HA GLA 14 -11.094 0.455 0.455 109 1HB CGU 14 1HB GLA 14 -12.098 -0.606 -0.606 110 2HB CGU 14 2HB GLA 14 -10.418 -0.968 -0.968 111 HG CGU 14 HG GLA 14 -11.045 -0.490 -0.490 112 H ALA 15 H ALA 15 -10.827 3.245 3.245 113 HA ALA 15 HA ALA 15 -7.862 3.356 3.356 114 1HB ALA 15 1HB ALA 15 -10.015 5.325 5.325 115 2HB ALA 15 3HB ALA 15 -8.292 5.568 5.568 116 3HB ALA 15 2HB ALA 15 -9.114 4.251 4.251 117 H GLU 16 H GLU 16 -10.586 4.921 4.921 118 HA GLU 16 HA GLU 16 -9.239 6.901 6.901 119 1HB GLU 16 2HB GLU 16 -11.795 6.511 6.511 120 2HB GLU 16 1HB GLU 16 -11.692 5.368 5.368 121 1HG GLU 16 2HG GLU 16 -10.828 7.157 7.157 122 2HG GLU 16 1HG GLU 16 -10.980 8.324 8.324 123 H VAL 17 H VAL 17 -10.353 3.699 3.699 124 HA VAL 17 HA VAL 17 -9.179 3.525 3.525 125 HB VAL 17 HB VAL 17 -9.849 1.289 1.289 126 1HG1 VAL 17 2HG1 VAL 17 -9.394 1.268 1.268 127 2HG1 VAL 17 1HG1 VAL 17 -10.155 -0.054 -0.054 128 3HG1 VAL 17 3HG1 VAL 17 -8.499 0.370 0.370 129 1HG2 VAL 17 2HG2 VAL 17 -11.769 2.861 2.861 130 2HG2 VAL 17 1HG2 VAL 17 -12.052 1.234 1.234 131 3HG2 VAL 17 3HG2 VAL 17 -11.576 2.483 2.483 132 H LYS 18 H LYS 18 -7.927 2.977 2.977 133 HA LYS 18 HA LYS 18 -5.597 1.471 1.471 134 1HB LYS 18 2HB LYS 18 -6.742 2.290 2.290 135 2HB LYS 18 1HB LYS 18 -5.470 3.481 3.481 136 1HG LYS 18 2HG LYS 18 -3.772 1.695 1.695 137 2HG LYS 18 1HG LYS 18 -5.029 0.474 0.474 138 1HD LYS 18 2HD LYS 18 -4.361 0.458 0.458 139 2HD LYS 18 1HD LYS 18 -5.800 1.455 1.455 140 1HE LYS 18 2HE LYS 18 -4.133 2.633 2.633 141 2HE LYS 18 1HE LYS 18 -4.226 3.498 3.498 142 1HZ LYS 18 3HZ LYS 18 -2.329 2.139 2.139 143 2HZ LYS 18 2HZ LYS 18 -2.197 1.499 1.499 144 3HZ LYS 18 1HZ LYS 18 -1.964 3.160 3.160 145 H LYS 19 H LYS 19 -6.076 4.971 4.971 146 HA LYS 19 HA LYS 19 -3.344 5.694 5.694 147 1HB LYS 19 2HB LYS 19 -4.138 7.878 7.878 148 2HB LYS 19 1HB LYS 19 -5.518 7.085 7.085 149 1HG LYS 19 2HG LYS 19 -6.410 6.956 6.956 150 2HG LYS 19 1HG LYS 19 -5.212 8.199 8.199 151 1HD LYS 19 2HD LYS 19 -6.225 9.661 9.661 152 2HD LYS 19 1HD LYS 19 -7.338 8.396 8.396 153 1HE LYS 19 2HE LYS 19 -7.256 9.536 9.536 154 2HE LYS 19 1HE LYS 19 -8.362 10.093 10.093 155 1HZ LYS 19 1HZ LYS 19 -8.959 7.630 7.630 156 2HZ LYS 19 3HZ LYS 19 -8.249 7.476 7.476 157 3HZ LYS 19 2HZ LYS 19 -9.574 8.516 8.516 158 H ASN 20 H ASN 20 -5.964 4.840 4.840 159 HA ASN 20 HA ASN 20 -4.636 5.620 5.620 160 1HB ASN 20 2HB ASN 20 -7.181 5.516 5.516 161 2HB ASN 20 1HB ASN 20 -7.040 3.765 3.765 162 1HD2 ASN 20 1HD2 ASN 20 -6.366 2.749 2.749 163 2HD2 ASN 20 2HD2 ASN 20 -6.488 3.584 3.584 164 H ALA 21 H ALA 21 -4.890 2.857 2.857 165 HA ALA 21 HA ALA 21 -3.677 0.993 0.993 166 1HB ALA 21 2HB ALA 21 -5.521 0.237 0.237 167 2HB ALA 21 1HB ALA 21 -4.522 0.583 0.583 168 3HB ALA 21 3HB ALA 21 -4.055 -0.687 -0.687 169 1HN NH2 22 1HT ALA 21 -2.481 3.302 3.302 170 2HN NH2 22 2HT ALA 21 -0.953 2.620 2.620 Start of MODEL 10 1 1H GLY 1 1H GLY 1 -27.818 -6.803 -6.803 2 2H GLY 1 3H GLY 1 -29.385 -6.776 -6.776 3 3H GLY 1 2H GLY 1 -28.237 -5.618 -5.618 4 1HA GLY 1 1HA GLY 1 -29.758 -4.631 -4.631 5 2HA GLY 1 2HA GLY 1 -29.384 -5.935 -5.935 6 H GLU 2 H GLU 2 -29.081 -3.509 -3.509 7 HA GLU 2 HA GLU 2 -26.568 -2.228 -2.228 8 1HB GLU 2 2HB GLU 2 -28.615 -1.293 -1.293 9 2HB GLU 2 1HB GLU 2 -28.069 -2.220 -2.220 10 1HG GLU 2 2HG GLU 2 -25.783 -1.012 -1.012 11 2HG GLU 2 1HG GLU 2 -26.601 0.046 0.046 12 1HN CGU 3 HN GLA 3 -27.605 -4.647 -4.647 13 HA CGU 3 HA GLA 3 -25.257 -4.950 -4.950 14 1HB CGU 3 1HB GLA 3 -27.333 -5.947 -5.947 15 2HB CGU 3 2HB GLA 3 -26.203 -7.250 -7.250 16 HG CGU 3 HG GLA 3 -27.429 -6.861 -6.861 17 1HN CGU 4 HN GLA 4 -26.109 -6.170 -6.170 18 HA CGU 4 HA GLA 4 -23.844 -8.003 -8.003 19 1HB CGU 4 1HB GLA 4 -24.630 -7.882 -7.882 20 2HB CGU 4 2HB GLA 4 -25.960 -6.939 -6.939 21 HG CGU 4 HG GLA 4 -25.881 -9.093 -9.093 22 H TYR 5 H TYR 5 -24.773 -4.788 -4.788 23 HA TYR 5 HA TYR 5 -22.468 -4.169 -4.169 24 1HB TYR 5 2HB TYR 5 -24.864 -3.028 -3.028 25 2HB TYR 5 1HB TYR 5 -24.151 -2.057 -2.057 26 HD1 TYR 5 HD2 TYR 5 -23.399 -3.240 -3.240 27 HD2 TYR 5 HD1 TYR 5 -22.969 -0.123 -0.123 28 HE1 TYR 5 HE2 TYR 5 -22.312 -1.840 -1.840 29 HE2 TYR 5 HE1 TYR 5 -21.879 1.278 1.278 30 HH TYR 5 HH TYR 5 -21.162 1.431 1.431 31 H GLN 6 H GLN 6 -22.771 -4.626 -4.626 32 HA GLN 6 HA GLN 6 -21.088 -2.567 -2.567 33 1HB GLN 6 2HB GLN 6 -22.625 -4.292 -4.292 34 2HB GLN 6 1HB GLN 6 -21.297 -5.424 -5.424 35 1HG GLN 6 2HG GLN 6 -19.807 -3.642 -3.642 36 2HG GLN 6 1HG GLN 6 -21.292 -2.772 -2.772 37 1HE2 GLN 6 2HE2 GLN 6 -20.345 -6.153 -6.153 38 2HE2 GLN 6 1HE2 GLN 6 -19.422 -5.671 -5.671 39 H LYS 7 H LYS 7 -20.549 -5.565 -5.565 40 HA LYS 7 HA LYS 7 -17.727 -5.858 -5.858 41 1HB LYS 7 2HB LYS 7 -19.275 -7.705 -7.705 42 2HB LYS 7 1HB LYS 7 -19.350 -6.884 -6.884 43 1HG LYS 7 2HG LYS 7 -16.847 -7.082 -7.082 44 2HG LYS 7 1HG LYS 7 -16.836 -7.974 -7.974 45 1HD LYS 7 2HD LYS 7 -18.113 -9.791 -9.791 46 2HD LYS 7 1HD LYS 7 -18.455 -8.868 -8.868 47 1HE LYS 7 2HE LYS 7 -16.614 -10.522 -10.522 48 2HE LYS 7 1HE LYS 7 -16.055 -8.874 -8.874 49 1HZ LYS 7 1HZ LYS 7 -15.781 -10.297 -10.297 50 2HZ LYS 7 3HZ LYS 7 -14.590 -10.335 -10.335 51 3HZ LYS 7 2HZ LYS 7 -15.019 -8.860 -8.860 52 H MET 8 H MET 8 -19.691 -4.474 -4.474 53 HA MET 8 HA MET 8 -17.581 -3.558 -3.558 54 1HB MET 8 2HB MET 8 -20.514 -3.284 -3.284 55 2HB MET 8 1HB MET 8 -19.783 -1.782 -1.782 56 1HG MET 8 2HG MET 8 -19.337 -4.502 -4.502 57 2HG MET 8 1HG MET 8 -20.340 -3.244 -3.244 58 1HE MET 8 2HE MET 8 -19.706 -1.505 -1.505 59 2HE MET 8 1HE MET 8 -18.935 -0.606 -0.606 60 3HE MET 8 3HE MET 8 -18.100 -0.836 -0.836 61 H LEU 9 H LEU 9 -19.130 -2.246 -2.246 62 HA LEU 9 HA LEU 9 -18.170 0.423 0.423 63 1HB LEU 9 2HB LEU 9 -19.469 -1.364 -1.364 64 2HB LEU 9 1HB LEU 9 -18.531 -0.123 -0.123 65 HG LEU 9 HG LEU 9 -21.112 0.115 0.115 66 1HD1 LEU 9 1HD1 LEU 9 -18.997 2.320 2.320 67 2HD1 LEU 9 3HD1 LEU 9 -20.719 2.657 2.657 68 3HD1 LEU 9 2HD1 LEU 9 -19.959 1.775 1.775 69 1HD2 LEU 9 1HD2 LEU 9 -20.468 -0.018 -0.018 70 2HD2 LEU 9 3HD2 LEU 9 -21.531 1.290 1.290 71 3HD2 LEU 9 2HD2 LEU 9 -19.838 1.612 1.612 72 1HN CGU 10 HN GLA 10 -16.633 -2.500 -2.500 73 HA CGU 10 HA GLA 10 -14.465 -1.199 -1.199 74 1HB CGU 10 1HB GLA 10 -15.422 -3.787 -3.787 75 2HB CGU 10 2HB GLA 10 -13.870 -3.375 -3.375 76 HG CGU 10 HG GLA 10 -14.242 -4.082 -4.082 77 H ASN 11 H ASN 11 -15.187 -2.288 -2.288 78 HA ASN 11 HA ASN 11 -12.612 -1.373 -1.373 79 1HB ASN 11 2HB ASN 11 -14.235 -3.572 -3.572 80 2HB ASN 11 1HB ASN 11 -14.690 -2.493 -2.493 81 1HD2 ASN 11 2HD2 ASN 11 -11.682 -2.976 -2.976 82 2HD2 ASN 11 1HD2 ASN 11 -13.227 -2.273 -2.273 83 H LEU 12 H LEU 12 -15.199 0.251 0.251 84 HA LEU 12 HA LEU 12 -16.110 1.604 1.604 85 1HB LEU 12 2HB LEU 12 -17.540 2.575 2.575 86 2HB LEU 12 1HB LEU 12 -16.765 1.598 1.598 87 HG LEU 12 HG LEU 12 -15.111 3.576 3.576 88 1HD1 LEU 12 3HD1 LEU 12 -16.297 4.687 4.687 89 2HD1 LEU 12 2HD1 LEU 12 -17.293 5.389 5.389 90 3HD1 LEU 12 1HD1 LEU 12 -15.558 5.640 5.640 91 1HD2 LEU 12 2HD2 LEU 12 -18.050 3.808 3.808 92 2HD2 LEU 12 1HD2 LEU 12 -16.815 2.960 2.960 93 3HD2 LEU 12 3HD2 LEU 12 -16.753 4.707 4.707 94 H ARG 13 H ARG 13 -13.610 2.264 2.264 95 HA ARG 13 HA ARG 13 -12.682 4.753 4.753 96 1HB ARG 13 2HB ARG 13 -11.962 3.030 3.030 97 2HB ARG 13 1HB ARG 13 -10.572 2.895 2.895 98 1HG ARG 13 2HG ARG 13 -9.997 5.161 5.161 99 2HG ARG 13 1HG ARG 13 -11.623 5.663 5.663 100 1HD ARG 13 2HD ARG 13 -10.156 3.820 3.820 101 2HD ARG 13 1HD ARG 13 -9.741 5.520 5.520 102 HE ARG 13 HE ARG 13 -11.943 6.101 6.101 103 1HH1 ARG 13 1HH2 ARG 13 -11.493 2.656 2.656 104 2HH1 ARG 13 2HH2 ARG 13 -12.902 2.309 2.309 105 1HH2 ARG 13 2HH1 ARG 13 -13.712 5.651 5.651 106 2HH2 ARG 13 1HH1 ARG 13 -14.169 4.010 4.010 107 1HN CGU 14 HN GLA 14 -11.927 1.441 1.441 108 HA CGU 14 HA GLA 14 -9.939 1.879 1.879 109 1HB CGU 14 1HB GLA 14 -11.448 -0.600 -0.600 110 2HB CGU 14 2HB GLA 14 -11.226 -0.331 -0.331 111 HG CGU 14 HG GLA 14 -8.856 0.000 0.000 112 H ALA 15 H ALA 15 -13.420 1.859 1.859 113 HA ALA 15 HA ALA 15 -13.794 1.472 1.472 114 1HB ALA 15 3HB ALA 15 -15.558 1.546 1.546 115 2HB ALA 15 2HB ALA 15 -15.571 3.281 3.281 116 3HB ALA 15 1HB ALA 15 -16.026 2.196 2.196 117 H GLU 16 H GLU 16 -13.070 4.302 4.302 118 HA GLU 16 HA GLU 16 -13.368 6.240 6.240 119 1HB GLU 16 2HB GLU 16 -11.957 6.279 6.279 120 2HB GLU 16 1HB GLU 16 -11.799 7.620 7.620 121 1HG GLU 16 2HG GLU 16 -13.638 8.249 8.249 122 2HG GLU 16 1HG GLU 16 -14.391 7.653 7.653 123 H VAL 17 H VAL 17 -10.707 4.322 4.322 124 HA VAL 17 HA VAL 17 -8.606 5.494 5.494 125 HB VAL 17 HB VAL 17 -8.920 2.576 2.576 126 1HG1 VAL 17 3HG1 VAL 17 -6.474 4.170 4.170 127 2HG1 VAL 17 2HG1 VAL 17 -6.358 2.675 2.675 128 3HG1 VAL 17 1HG1 VAL 17 -7.068 2.665 2.665 129 1HG2 VAL 17 2HG2 VAL 17 -9.133 4.234 4.234 130 2HG2 VAL 17 1HG2 VAL 17 -7.684 3.262 3.262 131 3HG2 VAL 17 3HG2 VAL 17 -7.577 4.911 4.911 132 H LYS 18 H LYS 18 -10.927 3.052 3.052 133 HA LYS 18 HA LYS 18 -9.732 2.160 2.160 134 1HB LYS 18 2HB LYS 18 -11.694 1.106 1.106 135 2HB LYS 18 1HB LYS 18 -12.723 2.346 2.346 136 1HG LYS 18 2HG LYS 18 -12.026 1.601 1.601 137 2HG LYS 18 1HG LYS 18 -11.037 0.351 0.351 138 1HD LYS 18 2HD LYS 18 -13.010 -0.821 -0.821 139 2HD LYS 18 1HD LYS 18 -13.254 -0.411 -0.411 140 1HE LYS 18 2HE LYS 18 -14.621 1.566 1.566 141 2HE LYS 18 1HE LYS 18 -14.352 1.168 1.168 142 1HZ LYS 18 1HZ LYS 18 -15.370 -1.032 -1.032 143 2HZ LYS 18 3HZ LYS 18 -15.821 -0.412 -0.412 144 3HZ LYS 18 2HZ LYS 18 -16.426 0.295 0.295 145 H LYS 19 H LYS 19 -12.407 4.466 4.466 146 HA LYS 19 HA LYS 19 -12.388 5.383 5.383 147 1HB LYS 19 2HB LYS 19 -13.806 7.264 7.264 148 2HB LYS 19 1HB LYS 19 -14.364 5.683 5.683 149 1HG LYS 19 2HG LYS 19 -13.303 5.962 5.962 150 2HG LYS 19 1HG LYS 19 -12.620 7.501 7.501 151 1HD LYS 19 2HD LYS 19 -14.515 8.193 8.193 152 2HD LYS 19 1HD LYS 19 -15.108 8.201 8.201 153 1HE LYS 19 2HE LYS 19 -16.047 5.888 5.888 154 2HE LYS 19 1HE LYS 19 -15.500 5.964 5.964 155 1HZ LYS 19 3HZ LYS 19 -17.315 7.955 7.955 156 2HZ LYS 19 2HZ LYS 19 -17.850 6.591 6.591 157 3HZ LYS 19 1HZ LYS 19 -16.923 7.779 7.779 158 H ASN 20 H ASN 20 -10.514 6.264 6.264 159 HA ASN 20 HA ASN 20 -9.604 8.845 8.845 160 1HB ASN 20 2HB ASN 20 -9.477 8.136 8.136 161 2HB ASN 20 1HB ASN 20 -8.292 6.910 6.910 162 1HD2 ASN 20 2HD2 ASN 20 -5.630 9.238 9.238 163 2HD2 ASN 20 1HD2 ASN 20 -6.163 7.671 7.671 164 H ALA 21 H ALA 21 -8.540 5.544 5.544 165 HA ALA 21 HA ALA 21 -6.078 6.181 6.181 166 1HB ALA 21 1HB ALA 21 -6.194 4.220 4.220 167 2HB ALA 21 3HB ALA 21 -7.471 3.522 3.522 168 3HB ALA 21 2HB ALA 21 -5.852 3.707 3.707 169 1HN NH2 22 1HT ALA 21 -9.403 5.710 5.710 170 2HN NH2 22 2HT ALA 21 -9.192 5.526 5.526 Start of MODEL 11 1 1H GLY 1 3H GLY 1 -27.496 -6.423 -6.423 2 2H GLY 1 2H GLY 1 -28.268 -5.448 -5.448 3 3H GLY 1 1H GLY 1 -28.906 -6.977 -6.977 4 1HA GLY 1 1HA GLY 1 -26.992 -8.053 -8.053 5 2HA GLY 1 2HA GLY 1 -27.780 -6.956 -6.956 6 H GLU 2 H GLU 2 -25.802 -6.104 -6.104 7 HA GLU 2 HA GLU 2 -24.260 -4.201 -4.201 8 1HB GLU 2 2HB GLU 2 -24.604 -4.745 -4.745 9 2HB GLU 2 1HB GLU 2 -23.147 -5.693 -5.693 10 1HG GLU 2 2HG GLU 2 -22.427 -3.506 -3.506 11 2HG GLU 2 1HG GLU 2 -22.047 -3.574 -3.574 12 1HN CGU 3 HN GLA 3 -23.827 -7.615 -7.615 13 HA CGU 3 HA GLA 3 -20.978 -7.599 -7.599 14 1HB CGU 3 1HB GLA 3 -21.209 -9.937 -9.937 15 2HB CGU 3 2HB GLA 3 -22.904 -9.789 -9.789 16 HG CGU 3 HG GLA 3 -23.399 -9.159 -9.159 17 1HN CGU 4 HN GLA 4 -23.945 -7.796 -7.796 18 HA CGU 4 HA GLA 4 -22.673 -7.958 -7.958 19 1HB CGU 4 1HB GLA 4 -24.914 -7.615 -7.615 20 2HB CGU 4 2HB GLA 4 -25.446 -6.902 -6.902 21 HG CGU 4 HG GLA 4 -26.048 -9.312 -9.312 22 H TYR 5 H TYR 5 -23.646 -5.390 -5.390 23 HA TYR 5 HA TYR 5 -23.419 -3.240 -3.240 24 1HB TYR 5 2HB TYR 5 -24.867 -3.033 -3.033 25 2HB TYR 5 1HB TYR 5 -23.485 -3.221 -3.221 26 HD1 TYR 5 HD2 TYR 5 -24.765 -1.043 -1.043 27 HD2 TYR 5 HD1 TYR 5 -22.280 -1.296 -1.296 28 HE1 TYR 5 HE2 TYR 5 -24.356 1.370 1.370 29 HE2 TYR 5 HE1 TYR 5 -21.882 1.113 1.113 30 HH TYR 5 HH TYR 5 -22.349 3.018 3.018 31 H GLN 6 H GLN 6 -21.429 -4.132 -4.132 32 HA GLN 6 HA GLN 6 -19.333 -2.303 -2.303 33 1HB GLN 6 2HB GLN 6 -18.189 -3.451 -3.451 34 2HB GLN 6 1HB GLN 6 -19.879 -3.744 -3.744 35 1HG GLN 6 2HG GLN 6 -19.779 -5.987 -5.987 36 2HG GLN 6 1HG GLN 6 -18.123 -5.762 -5.762 37 1HE2 GLN 6 2HE2 GLN 6 -16.789 -5.919 -5.919 38 2HE2 GLN 6 1HE2 GLN 6 -16.579 -5.049 -5.049 39 H LYS 7 H LYS 7 -20.048 -5.297 -5.297 40 HA LYS 7 HA LYS 7 -17.498 -6.020 -6.020 41 1HB LYS 7 2HB LYS 7 -19.267 -7.624 -7.624 42 2HB LYS 7 1HB LYS 7 -20.366 -6.504 -6.504 43 1HG LYS 7 2HG LYS 7 -19.096 -6.607 -6.607 44 2HG LYS 7 1HG LYS 7 -17.840 -7.559 -7.559 45 1HD LYS 7 2HD LYS 7 -19.156 -9.155 -9.155 46 2HD LYS 7 1HD LYS 7 -19.681 -9.314 -9.314 47 1HE LYS 7 2HE LYS 7 -21.344 -7.280 -7.280 48 2HE LYS 7 1HE LYS 7 -21.247 -8.615 -8.615 49 1HZ LYS 7 2HZ LYS 7 -21.725 -9.235 -9.235 50 2HZ LYS 7 1HZ LYS 7 -22.999 -8.583 -8.583 51 3HZ LYS 7 3HZ LYS 7 -22.260 -10.031 -10.031 52 H MET 8 H MET 8 -20.140 -4.334 -4.334 53 HA MET 8 HA MET 8 -18.566 -3.529 -3.529 54 1HB MET 8 2HB MET 8 -21.025 -3.606 -3.606 55 2HB MET 8 1HB MET 8 -21.169 -2.415 -2.415 56 1HG MET 8 2HG MET 8 -19.535 -1.532 -1.532 57 2HG MET 8 1HG MET 8 -21.182 -1.881 -1.881 58 1HE MET 8 1HE MET 8 -23.006 -0.773 -0.773 59 2HE MET 8 3HE MET 8 -23.342 -0.056 -0.056 60 3HE MET 8 2HE MET 8 -23.039 0.963 0.963 61 H LEU 9 H LEU 9 -19.393 -1.856 -1.856 62 HA LEU 9 HA LEU 9 -18.229 0.645 0.645 63 1HB LEU 9 2HB LEU 9 -19.019 -0.900 -0.900 64 2HB LEU 9 1HB LEU 9 -17.941 0.443 0.443 65 HG LEU 9 HG LEU 9 -20.512 0.792 0.792 66 1HD1 LEU 9 3HD1 LEU 9 -18.494 2.585 2.585 67 2HD1 LEU 9 2HD1 LEU 9 -20.107 3.168 3.168 68 3HD1 LEU 9 1HD1 LEU 9 -19.011 2.698 2.698 69 1HD2 LEU 9 3HD2 LEU 9 -20.910 -0.240 -0.240 70 2HD2 LEU 9 2HD2 LEU 9 -21.669 1.315 1.315 71 3HD2 LEU 9 1HD2 LEU 9 -20.217 1.215 1.215 72 1HN CGU 10 HN GLA 10 -16.803 -2.244 -2.244 73 HA CGU 10 HA GLA 10 -14.270 -1.189 -1.189 74 1HB CGU 10 1HB GLA 10 -13.751 -3.812 -3.812 75 2HB CGU 10 2HB GLA 10 -15.444 -3.874 -3.874 76 HG CGU 10 HG GLA 10 -14.426 -2.512 -2.512 77 H ASN 11 H ASN 11 -15.606 -2.293 -2.293 78 HA ASN 11 HA ASN 11 -13.116 -1.737 -1.737 79 1HB ASN 11 2HB ASN 11 -15.069 -3.750 -3.750 80 2HB ASN 11 1HB ASN 11 -15.489 -2.712 -2.712 81 1HD2 ASN 11 2HD2 ASN 11 -12.436 -5.205 -5.205 82 2HD2 ASN 11 1HD2 ASN 11 -13.663 -5.357 -5.357 83 H LEU 12 H LEU 12 -15.831 0.128 0.128 84 HA LEU 12 HA LEU 12 -16.000 1.433 1.433 85 1HB LEU 12 2HB LEU 12 -18.065 1.743 1.743 86 2HB LEU 12 1HB LEU 12 -17.479 1.326 1.326 87 HG LEU 12 HG LEU 12 -16.742 3.586 3.586 88 1HD1 LEU 12 2HD1 LEU 12 -17.229 3.925 3.925 89 2HD1 LEU 12 1HD1 LEU 12 -18.035 5.177 5.177 90 3HD1 LEU 12 3HD1 LEU 12 -16.308 4.956 4.956 91 1HD2 LEU 12 3HD2 LEU 12 -19.631 3.408 3.408 92 2HD2 LEU 12 2HD2 LEU 12 -19.034 2.978 2.978 93 3HD2 LEU 12 1HD2 LEU 12 -19.013 4.652 4.652 94 H ARG 13 H ARG 13 -14.937 2.457 2.457 95 HA ARG 13 HA ARG 13 -13.730 4.897 4.897 96 1HB ARG 13 2HB ARG 13 -14.347 4.673 4.673 97 2HB ARG 13 1HB ARG 13 -13.304 3.283 3.283 98 1HG ARG 13 2HG ARG 13 -12.278 5.346 5.346 99 2HG ARG 13 1HG ARG 13 -11.287 4.662 4.662 100 1HD ARG 13 2HD ARG 13 -11.583 7.212 7.212 101 2HD ARG 13 1HD ARG 13 -11.901 6.383 6.383 102 HE ARG 13 HE ARG 13 -14.244 6.827 6.827 103 1HH1 ARG 13 2HH1 ARG 13 -12.316 7.948 7.948 104 2HH1 ARG 13 1HH1 ARG 13 -13.595 8.930 8.930 105 1HH2 ARG 13 1HH2 ARG 13 -15.839 8.054 8.054 106 2HH2 ARG 13 2HH2 ARG 13 -15.640 8.999 8.999 107 1HN CGU 14 HN GLA 14 -12.532 1.620 1.620 108 HA CGU 14 HA GLA 14 -9.794 2.297 2.297 109 1HB CGU 14 1HB GLA 14 -10.302 -0.551 -0.551 110 2HB CGU 14 2HB GLA 14 -11.250 0.086 0.086 111 HG CGU 14 HG GLA 14 -9.321 1.156 1.156 112 H ALA 15 H ALA 15 -12.547 1.491 1.491 113 HA ALA 15 HA ALA 15 -11.245 0.203 0.203 114 1HB ALA 15 2HB ALA 15 -13.736 1.807 1.807 115 2HB ALA 15 1HB ALA 15 -13.075 1.813 1.813 116 3HB ALA 15 3HB ALA 15 -13.478 0.293 0.293 117 H GLU 16 H GLU 16 -11.533 3.574 3.574 118 HA GLU 16 HA GLU 16 -10.198 4.636 4.636 119 1HB GLU 16 2HB GLU 16 -11.862 5.816 5.816 120 2HB GLU 16 1HB GLU 16 -10.622 5.913 5.913 121 1HG GLU 16 2HG GLU 16 -9.262 7.385 7.385 122 2HG GLU 16 1HG GLU 16 -10.175 7.053 7.053 123 H VAL 17 H VAL 17 -9.215 4.365 4.365 124 HA VAL 17 HA VAL 17 -6.567 5.205 5.205 125 HB VAL 17 HB VAL 17 -7.803 3.399 3.399 126 1HG1 VAL 17 3HG1 VAL 17 -5.354 5.231 5.231 127 2HG1 VAL 17 2HG1 VAL 17 -6.038 4.326 4.326 128 3HG1 VAL 17 1HG1 VAL 17 -5.292 3.473 3.473 129 1HG2 VAL 17 3HG2 VAL 17 -7.659 6.429 6.429 130 2HG2 VAL 17 2HG2 VAL 17 -9.106 5.440 5.440 131 3HG2 VAL 17 1HG2 VAL 17 -8.080 5.612 5.612 132 H LYS 18 H LYS 18 -7.954 2.129 2.129 133 HA LYS 18 HA LYS 18 -5.885 0.298 0.298 134 1HB LYS 18 2HB LYS 18 -8.256 -0.184 -0.184 135 2HB LYS 18 1HB LYS 18 -7.784 0.326 0.326 136 1HG LYS 18 2HG LYS 18 -7.192 -1.841 -1.841 137 2HG LYS 18 1HG LYS 18 -5.794 -1.544 -1.544 138 1HD LYS 18 2HD LYS 18 -6.812 -3.476 -3.476 139 2HD LYS 18 1HD LYS 18 -7.238 -2.174 -2.174 140 1HE LYS 18 2HE LYS 18 -9.224 -3.565 -3.565 141 2HE LYS 18 1HE LYS 18 -9.478 -1.985 -1.985 142 1HZ LYS 18 3HZ LYS 18 -8.362 -4.257 -4.257 143 2HZ LYS 18 2HZ LYS 18 -10.031 -3.961 -3.961 144 3HZ LYS 18 1HZ LYS 18 -9.012 -2.806 -2.806 145 H LYS 19 H LYS 19 -6.385 2.438 2.438 146 HA LYS 19 HA LYS 19 -4.307 1.421 1.421 147 1HB LYS 19 2HB LYS 19 -6.264 3.141 3.141 148 2HB LYS 19 1HB LYS 19 -5.103 4.350 4.350 149 1HG LYS 19 2HG LYS 19 -4.840 4.173 4.173 150 2HG LYS 19 1HG LYS 19 -3.467 3.316 3.316 151 1HD LYS 19 2HD LYS 19 -4.339 1.191 1.191 152 2HD LYS 19 1HD LYS 19 -5.995 1.758 1.758 153 1HE LYS 19 2HE LYS 19 -5.839 2.386 2.386 154 2HE LYS 19 1HE LYS 19 -4.223 3.052 3.052 155 1HZ LYS 19 3HZ LYS 19 -4.573 0.151 0.151 156 2HZ LYS 19 2HZ LYS 19 -4.630 0.912 0.912 157 3HZ LYS 19 1HZ LYS 19 -3.246 1.060 1.060 158 H ASN 20 H ASN 20 -4.305 4.066 4.066 159 HA ASN 20 HA ASN 20 -1.390 4.422 4.422 160 1HB ASN 20 2HB ASN 20 -1.902 6.441 6.441 161 2HB ASN 20 1HB ASN 20 -2.707 6.439 6.439 162 1HD2 ASN 20 2HD2 ASN 20 -5.956 6.253 6.253 163 2HD2 ASN 20 1HD2 ASN 20 -5.026 6.220 6.220 164 H ALA 21 H ALA 21 -3.005 2.236 2.236 165 HA ALA 21 HA ALA 21 -2.115 2.642 2.642 166 1HB ALA 21 1HB ALA 21 -3.333 0.276 0.276 167 2HB ALA 21 3HB ALA 21 -2.906 0.211 0.211 168 3HB ALA 21 2HB ALA 21 -4.121 1.345 1.345 169 1HN NH2 22 1HT ALA 21 -0.229 2.073 2.073 170 2HN NH2 22 2HT ALA 21 0.958 1.075 1.075 Start of MODEL 12 1 1H GLY 1 3H GLY 1 -26.916 -10.069 -10.069 2 2H GLY 1 2H GLY 1 -28.153 -9.835 -9.835 3 3H GLY 1 1H GLY 1 -28.528 -10.424 -10.424 4 1HA GLY 1 1HA GLY 1 -27.888 -8.376 -8.376 5 2HA GLY 1 2HA GLY 1 -29.107 -8.121 -8.121 6 H GLU 2 H GLU 2 -27.096 -8.707 -8.707 7 HA GLU 2 HA GLU 2 -26.034 -5.983 -5.983 8 1HB GLU 2 2HB GLU 2 -25.424 -6.753 -6.753 9 2HB GLU 2 1HB GLU 2 -27.119 -6.843 -6.843 10 1HG GLU 2 2HG GLU 2 -27.031 -9.003 -9.003 11 2HG GLU 2 1HG GLU 2 -26.254 -9.410 -9.410 12 1HN CGU 3 HN GLA 3 -24.694 -9.261 -9.261 13 HA CGU 3 HA GLA 3 -22.008 -8.680 -8.680 14 1HB CGU 3 1HB GLA 3 -23.514 -10.925 -10.925 15 2HB CGU 3 2HB GLA 3 -21.811 -10.937 -10.937 16 HG CGU 3 HG GLA 3 -22.840 -10.476 -10.476 17 1HN CGU 4 HN GLA 4 -23.741 -8.501 -8.501 18 HA CGU 4 HA GLA 4 -21.487 -7.856 -7.856 19 1HB CGU 4 1HB GLA 4 -23.277 -8.817 -8.817 20 2HB CGU 4 2HB GLA 4 -23.407 -7.134 -7.134 21 HG CGU 4 HG GLA 4 -24.912 -7.432 -7.432 22 H TYR 5 H TYR 5 -24.036 -5.974 -5.974 23 HA TYR 5 HA TYR 5 -23.327 -3.442 -3.442 24 1HB TYR 5 2HB TYR 5 -25.398 -4.344 -4.344 25 2HB TYR 5 1HB TYR 5 -24.459 -3.533 -3.533 26 HD1 TYR 5 HD2 TYR 5 -25.825 -2.996 -2.996 27 HD2 TYR 5 HD1 TYR 5 -24.677 -1.176 -1.176 28 HE1 TYR 5 HE2 TYR 5 -26.688 -0.850 -0.850 29 HE2 TYR 5 HE1 TYR 5 -25.543 0.969 0.969 30 HH TYR 5 HH TYR 5 -26.411 2.093 2.093 31 H GLN 6 H GLN 6 -22.080 -5.217 -5.217 32 HA GLN 6 HA GLN 6 -20.492 -2.979 -2.979 33 1HB GLN 6 2HB GLN 6 -21.430 -5.129 -5.129 34 2HB GLN 6 1HB GLN 6 -19.982 -5.906 -5.906 35 1HG GLN 6 2HG GLN 6 -18.750 -3.768 -3.768 36 2HG GLN 6 1HG GLN 6 -20.241 -3.596 -3.596 37 1HE2 GLN 6 2HE2 GLN 6 -19.440 -6.195 -6.195 38 2HE2 GLN 6 1HE2 GLN 6 -20.495 -4.928 -4.928 39 H LYS 7 H LYS 7 -20.028 -5.854 -5.854 40 HA LYS 7 HA LYS 7 -17.243 -5.913 -5.913 41 1HB LYS 7 2HB LYS 7 -19.017 -7.581 -7.581 42 2HB LYS 7 1HB LYS 7 -19.235 -6.538 -6.538 43 1HG LYS 7 2HG LYS 7 -16.453 -7.496 -7.496 44 2HG LYS 7 1HG LYS 7 -17.553 -8.572 -8.572 45 1HD LYS 7 2HD LYS 7 -17.839 -6.419 -6.419 46 2HD LYS 7 1HD LYS 7 -16.239 -6.055 -6.055 47 1HE LYS 7 2HE LYS 7 -17.067 -8.654 -8.654 48 2HE LYS 7 1HE LYS 7 -16.065 -7.390 -7.390 49 1HZ LYS 7 1HZ LYS 7 -14.675 -7.829 -7.829 50 2HZ LYS 7 3HZ LYS 7 -15.412 -9.355 -9.355 51 3HZ LYS 7 2HZ LYS 7 -14.474 -8.769 -8.769 52 H MET 8 H MET 8 -19.544 -4.442 -4.442 53 HA MET 8 HA MET 8 -17.618 -3.112 -3.112 54 1HB MET 8 2HB MET 8 -19.683 -1.548 -1.548 55 2HB MET 8 1HB MET 8 -19.720 -3.217 -3.217 56 1HG MET 8 2HG MET 8 -21.539 -3.607 -3.607 57 2HG MET 8 1HG MET 8 -20.791 -2.941 -2.941 58 1HE MET 8 2HE MET 8 -23.105 -2.463 -2.463 59 2HE MET 8 1HE MET 8 -23.521 -0.758 -0.758 60 3HE MET 8 3HE MET 8 -21.902 -1.228 -1.228 61 H LEU 9 H LEU 9 -19.207 -2.143 -2.143 62 HA LEU 9 HA LEU 9 -18.406 0.617 0.617 63 1HB LEU 9 2HB LEU 9 -19.573 -1.327 -1.327 64 2HB LEU 9 1HB LEU 9 -18.878 0.104 0.104 65 HG LEU 9 HG LEU 9 -21.414 -0.023 -0.023 66 1HD1 LEU 9 1HD1 LEU 9 -19.513 2.332 2.332 67 2HD1 LEU 9 3HD1 LEU 9 -21.246 2.553 2.553 68 3HD1 LEU 9 2HD1 LEU 9 -20.570 1.996 1.996 69 1HD2 LEU 9 3HD2 LEU 9 -20.744 -0.544 -0.544 70 2HD2 LEU 9 2HD2 LEU 9 -22.026 0.617 0.617 71 3HD2 LEU 9 1HD2 LEU 9 -20.414 1.166 1.166 72 1HN CGU 10 HN GLA 10 -16.901 -2.298 -2.298 73 HA CGU 10 HA GLA 10 -14.817 -1.009 -1.009 74 1HB CGU 10 1HB GLA 10 -13.726 -3.407 -3.407 75 2HB CGU 10 2HB GLA 10 -15.298 -3.781 -3.781 76 HG CGU 10 HG GLA 10 -16.251 -2.901 -2.901 77 H ASN 11 H ASN 11 -15.224 -2.295 -2.295 78 HA ASN 11 HA ASN 11 -12.608 -1.277 -1.277 79 1HB ASN 11 2HB ASN 11 -14.265 -3.551 -3.551 80 2HB ASN 11 1HB ASN 11 -14.215 -2.601 -2.601 81 1HD2 ASN 11 2HD2 ASN 11 -10.809 -4.360 -4.360 82 2HD2 ASN 11 1HD2 ASN 11 -12.146 -4.159 -4.159 83 H LEU 12 H LEU 12 -15.353 0.312 0.312 84 HA LEU 12 HA LEU 12 -16.109 1.338 1.338 85 1HB LEU 12 2HB LEU 12 -16.820 1.735 1.735 86 2HB LEU 12 1HB LEU 12 -16.449 3.320 3.320 87 HG LEU 12 HG LEU 12 -18.466 1.359 1.359 88 1HD1 LEU 12 3HD1 LEU 12 -18.985 2.990 2.990 89 2HD1 LEU 12 2HD1 LEU 12 -18.809 4.298 4.298 90 3HD1 LEU 12 1HD1 LEU 12 -20.084 3.108 3.108 91 1HD2 LEU 12 1HD2 LEU 12 -17.272 3.774 3.774 92 2HD2 LEU 12 3HD2 LEU 12 -17.756 2.234 2.234 93 3HD2 LEU 12 2HD2 LEU 12 -18.970 3.415 3.415 94 H ARG 13 H ARG 13 -13.827 2.363 2.363 95 HA ARG 13 HA ARG 13 -12.922 4.785 4.785 96 1HB ARG 13 2HB ARG 13 -12.561 3.896 3.896 97 2HB ARG 13 1HB ARG 13 -11.277 2.913 2.913 98 1HG ARG 13 2HG ARG 13 -10.013 4.766 4.766 99 2HG ARG 13 1HG ARG 13 -10.455 5.276 5.276 100 1HD ARG 13 2HD ARG 13 -12.203 5.972 5.972 101 2HD ARG 13 1HD ARG 13 -10.804 6.961 6.961 102 HE ARG 13 HE ARG 13 -12.195 6.648 6.648 103 1HH1 ARG 13 2HH1 ARG 13 -12.954 7.806 7.806 104 2HH1 ARG 13 1HH1 ARG 13 -14.159 8.910 8.910 105 1HH2 ARG 13 1HH2 ARG 13 -13.717 8.045 8.045 106 2HH2 ARG 13 2HH2 ARG 13 -14.598 9.044 9.044 107 1HN CGU 14 HN GLA 14 -12.432 1.502 1.502 108 HA CGU 14 HA GLA 14 -10.088 1.765 1.765 109 1HB CGU 14 1HB GLA 14 -10.871 -0.925 -0.925 110 2HB CGU 14 2HB GLA 14 -11.452 -0.345 -0.345 111 HG CGU 14 HG GLA 14 -9.007 0.787 0.787 112 H ALA 15 H ALA 15 -13.524 1.511 1.511 113 HA ALA 15 HA ALA 15 -13.793 0.315 0.315 114 1HB ALA 15 1HB ALA 15 -15.632 0.823 0.823 115 2HB ALA 15 3HB ALA 15 -15.661 2.448 2.448 116 3HB ALA 15 2HB ALA 15 -16.060 1.065 1.065 117 H GLU 16 H GLU 16 -13.200 3.529 3.529 118 HA GLU 16 HA GLU 16 -13.563 5.014 5.014 119 1HB GLU 16 2HB GLU 16 -12.288 5.396 5.396 120 2HB GLU 16 1HB GLU 16 -11.387 6.230 6.230 121 1HG GLU 16 2HG GLU 16 -14.341 6.565 6.565 122 2HG GLU 16 1HG GLU 16 -13.071 7.750 7.750 123 H VAL 17 H VAL 17 -10.752 3.385 3.385 124 HA VAL 17 HA VAL 17 -8.968 4.003 4.003 125 HB VAL 17 HB VAL 17 -8.882 1.653 1.653 126 1HG1 VAL 17 2HG1 VAL 17 -6.770 2.961 2.961 127 2HG1 VAL 17 1HG1 VAL 17 -6.346 1.948 1.948 128 3HG1 VAL 17 3HG1 VAL 17 -7.250 1.271 1.271 129 1HG2 VAL 17 1HG2 VAL 17 -7.876 4.518 4.518 130 2HG2 VAL 17 3HG2 VAL 17 -9.033 3.695 3.695 131 3HG2 VAL 17 2HG2 VAL 17 -7.348 3.212 3.212 132 H LYS 18 H LYS 18 -11.148 1.351 1.351 133 HA LYS 18 HA LYS 18 -10.347 -0.492 -0.492 134 1HB LYS 18 2HB LYS 18 -12.148 -0.686 -0.686 135 2HB LYS 18 1HB LYS 18 -13.258 -0.036 -0.036 136 1HG LYS 18 2HG LYS 18 -11.897 -2.081 -2.081 137 2HG LYS 18 1HG LYS 18 -12.084 -2.742 -2.742 138 1HD LYS 18 2HD LYS 18 -14.362 -1.545 -1.545 139 2HD LYS 18 1HD LYS 18 -13.999 -3.254 -3.254 140 1HE LYS 18 2HE LYS 18 -15.236 -3.437 -3.437 141 2HE LYS 18 1HE LYS 18 -14.157 -2.334 -2.334 142 1HZ LYS 18 1HZ LYS 18 -16.290 -1.363 -1.363 143 2HZ LYS 18 3HZ LYS 18 -16.568 -1.697 -1.697 144 3HZ LYS 18 2HZ LYS 18 -15.439 -0.509 -0.509 145 H LYS 19 H LYS 19 -12.427 2.315 2.315 146 HA LYS 19 HA LYS 19 -13.418 1.918 1.918 147 1HB LYS 19 2HB LYS 19 -12.934 4.437 4.437 148 2HB LYS 19 1HB LYS 19 -13.741 4.459 4.459 149 1HG LYS 19 2HG LYS 19 -15.335 2.651 2.651 150 2HG LYS 19 1HG LYS 19 -14.687 3.183 3.183 151 1HD LYS 19 2HD LYS 19 -15.884 5.124 5.124 152 2HD LYS 19 1HD LYS 19 -16.846 4.331 4.331 153 1HE LYS 19 2HE LYS 19 -16.299 6.347 6.347 154 2HE LYS 19 1HE LYS 19 -15.054 5.283 5.283 155 1HZ LYS 19 1HZ LYS 19 -14.771 7.124 7.124 156 2HZ LYS 19 3HZ LYS 19 -14.146 7.374 7.374 157 3HZ LYS 19 2HZ LYS 19 -13.554 6.108 6.108 158 H ASN 20 H ASN 20 -10.584 3.561 3.561 159 HA ASN 20 HA ASN 20 -9.570 4.587 4.587 160 1HB ASN 20 2HB ASN 20 -8.757 5.357 5.357 161 2HB ASN 20 1HB ASN 20 -8.044 3.780 3.780 162 1HD2 ASN 20 2HD2 ASN 20 -5.198 4.364 4.364 163 2HD2 ASN 20 1HD2 ASN 20 -6.085 3.230 3.230 164 H ALA 21 H ALA 21 -9.404 1.492 1.492 165 HA ALA 21 HA ALA 21 -7.353 0.370 0.370 166 1HB ALA 21 3HB ALA 21 -7.938 -0.370 -0.370 167 2HB ALA 21 2HB ALA 21 -9.304 -1.215 -1.215 168 3HB ALA 21 1HB ALA 21 -7.666 -1.645 -1.645 169 1HN NH2 22 1HT ALA 21 -10.867 0.613 0.613 170 2HN NH2 22 2HT ALA 21 -11.100 -0.267 -0.267 Start of MODEL 13 1 1H GLY 1 2H GLY 1 -25.841 -8.903 -8.903 2 2H GLY 1 1H GLY 1 -26.535 -8.435 -8.435 3 3H GLY 1 3H GLY 1 -27.475 -9.247 -9.247 4 1HA GLY 1 1HA GLY 1 -27.315 -7.443 -7.443 5 2HA GLY 1 2HA GLY 1 -27.950 -6.904 -6.904 6 H GLU 2 H GLU 2 -25.429 -7.049 -7.049 7 HA GLU 2 HA GLU 2 -24.364 -4.439 -4.439 8 1HB GLU 2 2HB GLU 2 -23.777 -6.198 -6.198 9 2HB GLU 2 1HB GLU 2 -23.019 -4.641 -4.641 10 1HG GLU 2 2HG GLU 2 -25.256 -3.539 -3.539 11 2HG GLU 2 1HG GLU 2 -26.031 -5.093 -5.093 12 1HN CGU 3 HN GLA 3 -23.341 -7.774 -7.774 13 HA CGU 3 HA GLA 3 -20.546 -7.367 -7.367 14 1HB CGU 3 1HB GLA 3 -22.328 -9.530 -9.530 15 2HB CGU 3 2HB GLA 3 -20.595 -9.627 -9.627 16 HG CGU 3 HG GLA 3 -22.341 -9.786 -9.786 17 1HN CGU 4 HN GLA 4 -23.164 -7.915 -7.915 18 HA CGU 4 HA GLA 4 -21.643 -7.786 -7.786 19 1HB CGU 4 1HB GLA 4 -23.731 -8.851 -8.851 20 2HB CGU 4 2HB GLA 4 -23.991 -7.332 -7.332 21 HG CGU 4 HG GLA 4 -24.572 -6.889 -6.889 22 H TYR 5 H TYR 5 -23.475 -5.386 -5.386 23 HA TYR 5 HA TYR 5 -23.264 -3.251 -3.251 24 1HB TYR 5 2HB TYR 5 -24.687 -3.543 -3.543 25 2HB TYR 5 1HB TYR 5 -23.312 -2.760 -2.760 26 HD1 TYR 5 HD1 TYR 5 -22.631 -0.462 -0.462 27 HD2 TYR 5 HD2 TYR 5 -26.206 -2.307 -2.307 28 HE1 TYR 5 HE1 TYR 5 -23.459 1.714 1.714 29 HE2 TYR 5 HE2 TYR 5 -27.031 -0.130 -0.130 30 HH TYR 5 HH TYR 5 -25.072 2.812 2.812 31 H GLN 6 H GLN 6 -21.318 -4.149 -4.149 32 HA GLN 6 HA GLN 6 -19.396 -2.032 -2.032 33 1HB GLN 6 2HB GLN 6 -19.917 -3.567 -3.567 34 2HB GLN 6 1HB GLN 6 -18.856 -4.734 -4.734 35 1HG GLN 6 2HG GLN 6 -17.192 -2.597 -2.597 36 2HG GLN 6 1HG GLN 6 -18.207 -2.039 -2.039 37 1HE2 GLN 6 2HE2 GLN 6 -17.279 -4.999 -4.999 38 2HE2 GLN 6 1HE2 GLN 6 -18.724 -4.298 -4.298 39 H LYS 7 H LYS 7 -19.585 -5.266 -5.266 40 HA LYS 7 HA LYS 7 -16.893 -5.475 -5.475 41 1HB LYS 7 2HB LYS 7 -18.799 -7.295 -7.295 42 2HB LYS 7 1HB LYS 7 -19.237 -6.782 -6.782 43 1HG LYS 7 2HG LYS 7 -17.723 -8.505 -8.505 44 2HG LYS 7 1HG LYS 7 -16.667 -7.113 -7.113 45 1HD LYS 7 2HD LYS 7 -15.561 -8.832 -8.832 46 2HD LYS 7 1HD LYS 7 -16.019 -7.544 -7.544 47 1HE LYS 7 2HE LYS 7 -17.830 -8.798 -8.798 48 2HE LYS 7 1HE LYS 7 -17.856 -9.924 -9.924 49 1HZ LYS 7 3HZ LYS 7 -15.544 -9.697 -9.697 50 2HZ LYS 7 2HZ LYS 7 -16.860 -10.724 -10.724 51 3HZ LYS 7 1HZ LYS 7 -15.923 -10.953 -10.953 52 H MET 8 H MET 8 -19.870 -4.431 -4.431 53 HA MET 8 HA MET 8 -18.688 -3.846 -3.846 54 1HB MET 8 2HB MET 8 -21.283 -3.997 -3.997 55 2HB MET 8 1HB MET 8 -21.104 -2.260 -2.260 56 1HG MET 8 2HG MET 8 -20.163 -3.757 -3.757 57 2HG MET 8 1HG MET 8 -21.853 -3.918 -3.918 58 1HE MET 8 2HE MET 8 -23.558 -2.576 -2.576 59 2HE MET 8 1HE MET 8 -23.295 -1.299 -1.299 60 3HE MET 8 3HE MET 8 -23.517 -0.900 -0.900 61 H LEU 9 H LEU 9 -19.326 -1.952 -1.952 62 HA LEU 9 HA LEU 9 -18.402 0.539 0.539 63 1HB LEU 9 2HB LEU 9 -19.421 -0.409 -0.409 64 2HB LEU 9 1HB LEU 9 -18.024 0.602 0.602 65 HG LEU 9 HG LEU 9 -20.367 1.399 1.399 66 1HD1 LEU 9 3HD1 LEU 9 -21.002 1.165 1.165 67 2HD1 LEU 9 2HD1 LEU 9 -19.721 2.287 2.287 68 3HD1 LEU 9 1HD1 LEU 9 -21.075 2.832 2.832 69 1HD2 LEU 9 2HD2 LEU 9 -17.873 2.864 2.864 70 2HD2 LEU 9 1HD2 LEU 9 -18.404 2.659 2.659 71 3HD2 LEU 9 3HD2 LEU 9 -19.281 3.731 3.731 72 1HN CGU 10 HN GLA 10 -16.943 -2.177 -2.177 73 HA CGU 10 HA GLA 10 -14.416 -1.050 -1.050 74 1HB CGU 10 1HB GLA 10 -14.034 -3.796 -3.796 75 2HB CGU 10 2HB GLA 10 -15.626 -3.699 -3.699 76 HG CGU 10 HG GLA 10 -14.559 -2.401 -2.401 77 H ASN 11 H ASN 11 -15.801 -2.094 -2.094 78 HA ASN 11 HA ASN 11 -13.249 -1.995 -1.995 79 1HB ASN 11 2HB ASN 11 -15.251 -3.725 -3.725 80 2HB ASN 11 1HB ASN 11 -15.959 -2.452 -2.452 81 1HD2 ASN 11 2HD2 ASN 11 -12.675 -4.470 -4.470 82 2HD2 ASN 11 1HD2 ASN 11 -13.227 -4.678 -4.678 83 H LEU 12 H LEU 12 -16.117 -0.152 -0.152 84 HA LEU 12 HA LEU 12 -15.892 1.637 1.637 85 1HB LEU 12 2HB LEU 12 -17.407 1.573 1.573 86 2HB LEU 12 1HB LEU 12 -17.401 3.074 3.074 87 HG LEU 12 HG LEU 12 -18.085 0.492 0.492 88 1HD1 LEU 12 1HD1 LEU 12 -19.999 2.163 2.163 89 2HD1 LEU 12 3HD1 LEU 12 -20.518 1.009 1.009 90 3HD1 LEU 12 2HD1 LEU 12 -19.644 0.454 0.454 91 1HD2 LEU 12 3HD2 LEU 12 -17.709 2.609 2.609 92 2HD2 LEU 12 2HD2 LEU 12 -19.368 2.057 2.057 93 3HD2 LEU 12 1HD2 LEU 12 -18.974 3.391 3.391 94 H ARG 13 H ARG 13 -14.940 1.881 1.881 95 HA ARG 13 HA ARG 13 -13.736 4.513 4.513 96 1HB ARG 13 2HB ARG 13 -14.390 2.746 2.746 97 2HB ARG 13 1HB ARG 13 -12.647 2.848 2.848 98 1HG ARG 13 2HG ARG 13 -13.263 4.658 4.658 99 2HG ARG 13 1HG ARG 13 -13.019 5.451 5.451 100 1HD ARG 13 2HD ARG 13 -15.756 4.465 4.465 101 2HD ARG 13 1HD ARG 13 -15.195 6.116 6.116 102 HE ARG 13 HE ARG 13 -16.159 4.901 4.901 103 1HH1 ARG 13 1HH2 ARG 13 -14.090 7.333 7.333 104 2HH1 ARG 13 2HH2 ARG 13 -14.156 8.336 8.336 105 1HH2 ARG 13 2HH1 ARG 13 -16.239 6.160 6.160 106 2HH2 ARG 13 1HH1 ARG 13 -15.384 7.667 7.667 107 1HN CGU 14 HN GLA 14 -12.616 1.203 1.203 108 HA CGU 14 HA GLA 14 -9.833 1.927 1.927 109 1HB CGU 14 1HB GLA 14 -10.150 -0.666 -0.666 110 2HB CGU 14 2HB GLA 14 -11.458 -0.536 -0.536 111 HG CGU 14 HG GLA 14 -9.357 0.617 0.617 112 H ALA 15 H ALA 15 -12.537 1.986 1.986 113 HA ALA 15 HA ALA 15 -11.401 1.259 1.259 114 1HB ALA 15 1HB ALA 15 -13.862 1.933 1.933 115 2HB ALA 15 3HB ALA 15 -13.323 3.593 3.593 116 3HB ALA 15 2HB ALA 15 -13.207 2.469 2.469 117 H GLU 16 H GLU 16 -10.950 3.963 3.963 118 HA GLU 16 HA GLU 16 -9.485 5.568 5.568 119 1HB GLU 16 2HB GLU 16 -11.192 6.585 6.585 120 2HB GLU 16 1HB GLU 16 -10.136 6.193 6.193 121 1HG GLU 16 2HG GLU 16 -8.304 7.572 7.572 122 2HG GLU 16 1HG GLU 16 -9.459 8.035 8.035 123 H VAL 17 H VAL 17 -8.945 4.400 4.400 124 HA VAL 17 HA VAL 17 -6.237 4.983 4.983 125 HB VAL 17 HB VAL 17 -7.778 2.694 2.694 126 1HG1 VAL 17 3HG1 VAL 17 -5.118 4.020 4.020 127 2HG1 VAL 17 2HG1 VAL 17 -6.046 3.173 3.173 128 3HG1 VAL 17 1HG1 VAL 17 -5.455 2.306 2.306 129 1HG2 VAL 17 1HG2 VAL 17 -8.837 4.947 4.947 130 2HG2 VAL 17 3HG2 VAL 17 -8.187 4.308 4.308 131 3HG2 VAL 17 2HG2 VAL 17 -7.313 5.555 5.555 132 H LYS 18 H LYS 18 -7.766 2.383 2.383 133 HA LYS 18 HA LYS 18 -5.503 0.598 0.598 134 1HB LYS 18 2HB LYS 18 -7.925 -0.063 -0.063 135 2HB LYS 18 1HB LYS 18 -7.913 0.818 0.818 136 1HG LYS 18 2HG LYS 18 -7.415 -1.274 -1.274 137 2HG LYS 18 1HG LYS 18 -5.771 -0.810 -0.810 138 1HD LYS 18 2HD LYS 18 -7.530 -2.230 -2.230 139 2HD LYS 18 1HD LYS 18 -6.621 -3.119 -3.119 140 1HE LYS 18 2HE LYS 18 -4.981 -3.101 -3.101 141 2HE LYS 18 1HE LYS 18 -4.617 -1.509 -1.509 142 1HZ LYS 18 3HZ LYS 18 -6.534 -1.995 -1.995 143 2HZ LYS 18 2HZ LYS 18 -4.895 -1.635 -1.635 144 3HZ LYS 18 1HZ LYS 18 -5.914 -0.503 -0.503 145 H LYS 19 H LYS 19 -6.695 3.194 3.194 146 HA LYS 19 HA LYS 19 -4.889 2.765 2.765 147 1HB LYS 19 2HB LYS 19 -6.249 5.303 5.303 148 2HB LYS 19 1HB LYS 19 -5.361 5.239 5.239 149 1HG LYS 19 2HG LYS 19 -7.658 3.334 3.334 150 2HG LYS 19 1HG LYS 19 -7.917 4.892 4.892 151 1HD LYS 19 2HD LYS 19 -7.042 4.245 4.245 152 2HD LYS 19 1HD LYS 19 -5.765 3.288 3.288 153 1HE LYS 19 2HE LYS 19 -7.352 1.829 1.829 154 2HE LYS 19 1HE LYS 19 -7.411 1.486 1.486 155 1HZ LYS 19 3HZ LYS 19 -9.342 2.957 2.957 156 2HZ LYS 19 2HZ LYS 19 -9.302 3.180 3.180 157 3HZ LYS 19 1HZ LYS 19 -9.613 1.640 1.640 158 H ASN 20 H ASN 20 -4.701 4.545 4.545 159 HA ASN 20 HA ASN 20 -2.117 5.737 5.737 160 1HB ASN 20 2HB ASN 20 -3.831 5.245 5.245 161 2HB ASN 20 1HB ASN 20 -2.269 6.036 6.036 162 1HD2 ASN 20 2HD2 ASN 20 -3.392 9.065 9.065 163 2HD2 ASN 20 1HD2 ASN 20 -2.035 8.151 8.151 164 H ALA 21 H ALA 21 -3.297 2.733 2.733 165 HA ALA 21 HA ALA 21 -0.730 1.823 1.823 166 1HB ALA 21 1HB ALA 21 -2.886 1.116 1.116 167 2HB ALA 21 3HB ALA 21 -3.337 0.326 0.326 168 3HB ALA 21 2HB ALA 21 -1.978 -0.277 -0.277 169 1HN NH2 22 1HT ALA 21 -2.124 1.924 1.924 170 2HN NH2 22 2HT ALA 21 -1.129 0.761 0.761 Start of MODEL 14 1 1H GLY 1 3H GLY 1 -28.401 -9.389 -9.389 2 2H GLY 1 2H GLY 1 -28.318 -10.894 -10.894 3 3H GLY 1 1H GLY 1 -27.029 -10.371 -10.371 4 1HA GLY 1 1HA GLY 1 -26.457 -10.153 -10.153 5 2HA GLY 1 2HA GLY 1 -27.933 -9.130 -9.130 6 H GLU 2 H GLU 2 -25.856 -9.115 -9.115 7 HA GLU 2 HA GLU 2 -25.385 -6.227 -6.227 8 1HB GLU 2 2HB GLU 2 -24.870 -8.234 -8.234 9 2HB GLU 2 1HB GLU 2 -24.260 -6.592 -6.592 10 1HG GLU 2 2HG GLU 2 -27.199 -7.281 -7.281 11 2HG GLU 2 1HG GLU 2 -26.499 -6.936 -6.936 12 1HN CGU 3 HN GLA 3 -23.683 -9.210 -9.210 13 HA CGU 3 HA GLA 3 -21.008 -8.209 -8.209 14 1HB CGU 3 1HB GLA 3 -20.543 -10.340 -10.340 15 2HB CGU 3 2HB GLA 3 -22.254 -10.651 -10.651 16 HG CGU 3 HG GLA 3 -20.860 -9.958 -9.958 17 1HN CGU 4 HN GLA 4 -23.032 -8.982 -8.982 18 HA CGU 4 HA GLA 4 -21.289 -8.066 -8.066 19 1HB CGU 4 1HB GLA 4 -23.214 -9.435 -9.435 20 2HB CGU 4 2HB GLA 4 -23.328 -7.968 -7.968 21 HG CGU 4 HG GLA 4 -24.597 -7.854 -7.854 22 H TYR 5 H TYR 5 -23.241 -6.292 -6.292 23 HA TYR 5 HA TYR 5 -23.410 -3.832 -3.832 24 1HB TYR 5 2HB TYR 5 -24.784 -4.751 -4.751 25 2HB TYR 5 1HB TYR 5 -23.554 -3.876 -3.876 26 HD1 TYR 5 HD2 TYR 5 -25.589 -3.257 -3.257 27 HD2 TYR 5 HD1 TYR 5 -24.218 -1.714 -1.714 28 HE1 TYR 5 HE2 TYR 5 -26.787 -1.173 -1.173 29 HE2 TYR 5 HE1 TYR 5 -25.425 0.371 0.371 30 HH TYR 5 HH TYR 5 -26.241 1.637 1.637 31 H GLN 6 H GLN 6 -21.491 -4.744 -4.744 32 HA GLN 6 HA GLN 6 -19.756 -2.424 -2.424 33 1HB GLN 6 2HB GLN 6 -20.276 -4.468 -4.468 34 2HB GLN 6 1HB GLN 6 -18.553 -4.374 -4.374 35 1HG GLN 6 2HG GLN 6 -19.052 -2.741 -2.741 36 2HG GLN 6 1HG GLN 6 -18.757 -1.819 -1.819 37 1HE2 GLN 6 2HE2 GLN 6 -22.660 -2.195 -2.195 38 2HE2 GLN 6 1HE2 GLN 6 -21.565 -3.455 -3.455 39 H LYS 7 H LYS 7 -19.859 -5.446 -5.446 40 HA LYS 7 HA LYS 7 -17.041 -5.933 -5.933 41 1HB LYS 7 2HB LYS 7 -18.666 -7.740 -7.740 42 2HB LYS 7 1HB LYS 7 -19.499 -6.917 -6.917 43 1HG LYS 7 2HG LYS 7 -18.003 -7.615 -7.615 44 2HG LYS 7 1HG LYS 7 -16.613 -7.357 -7.357 45 1HD LYS 7 2HD LYS 7 -16.976 -9.456 -9.456 46 2HD LYS 7 1HD LYS 7 -18.531 -9.690 -9.690 47 1HE LYS 7 2HE LYS 7 -16.720 -11.064 -11.064 48 2HE LYS 7 1HE LYS 7 -17.437 -9.933 -9.933 49 1HZ LYS 7 3HZ LYS 7 -15.188 -8.897 -8.897 50 2HZ LYS 7 2HZ LYS 7 -14.820 -10.189 -10.189 51 3HZ LYS 7 1HZ LYS 7 -15.556 -8.785 -8.785 52 H MET 8 H MET 8 -19.617 -4.528 -4.528 53 HA MET 8 HA MET 8 -17.854 -3.770 -3.770 54 1HB MET 8 2HB MET 8 -20.289 -4.402 -4.402 55 2HB MET 8 1HB MET 8 -20.721 -2.921 -2.921 56 1HG MET 8 2HG MET 8 -19.382 -1.676 -1.676 57 2HG MET 8 1HG MET 8 -19.256 -3.199 -3.199 58 1HE MET 8 2HE MET 8 -21.174 -0.286 -0.286 59 2HE MET 8 1HE MET 8 -22.714 -0.329 -0.329 60 3HE MET 8 3HE MET 8 -22.479 -1.314 -1.314 61 H LEU 9 H LEU 9 -19.286 -2.245 -2.245 62 HA LEU 9 HA LEU 9 -18.561 0.435 0.435 63 1HB LEU 9 2HB LEU 9 -19.577 -0.975 -0.975 64 2HB LEU 9 1HB LEU 9 -19.010 0.667 0.667 65 HG LEU 9 HG LEU 9 -21.533 0.231 0.231 66 1HD1 LEU 9 1HD1 LEU 9 -20.229 2.477 2.477 67 2HD1 LEU 9 3HD1 LEU 9 -19.969 2.191 2.191 68 3HD1 LEU 9 2HD1 LEU 9 -21.595 2.414 2.414 69 1HD2 LEU 9 1HD2 LEU 9 -21.085 -1.260 -1.260 70 2HD2 LEU 9 3HD2 LEU 9 -22.108 0.113 0.113 71 3HD2 LEU 9 2HD2 LEU 9 -20.432 0.132 0.132 72 1HN CGU 10 HN GLA 10 -16.829 -2.090 -2.090 73 HA CGU 10 HA GLA 10 -14.824 -0.282 -0.282 74 1HB CGU 10 1HB GLA 10 -15.336 -2.735 -2.735 75 2HB CGU 10 2HB GLA 10 -13.677 -2.251 -2.251 76 HG CGU 10 HG GLA 10 -14.776 -3.417 -3.417 77 H ASN 11 H ASN 11 -15.685 -1.700 -1.700 78 HA ASN 11 HA ASN 11 -13.216 -1.148 -1.148 79 1HB ASN 11 2HB ASN 11 -15.576 -2.886 -2.886 80 2HB ASN 11 1HB ASN 11 -15.171 -2.095 -2.095 81 1HD2 ASN 11 2HD2 ASN 11 -13.129 -5.299 -5.299 82 2HD2 ASN 11 1HD2 ASN 11 -14.751 -4.966 -4.966 83 H LEU 12 H LEU 12 -16.102 0.532 0.532 84 HA LEU 12 HA LEU 12 -16.465 1.950 1.950 85 1HB LEU 12 2HB LEU 12 -17.966 3.288 3.288 86 2HB LEU 12 1HB LEU 12 -17.824 1.937 1.937 87 HG LEU 12 HG LEU 12 -15.857 3.239 3.239 88 1HD1 LEU 12 3HD1 LEU 12 -16.948 5.268 5.268 89 2HD1 LEU 12 2HD1 LEU 12 -16.787 5.846 5.846 90 3HD1 LEU 12 1HD1 LEU 12 -15.392 5.222 5.222 91 1HD2 LEU 12 2HD2 LEU 12 -18.031 2.773 2.773 92 2HD2 LEU 12 1HD2 LEU 12 -17.442 4.364 4.364 93 3HD2 LEU 12 3HD2 LEU 12 -18.722 4.197 4.197 94 H ARG 13 H ARG 13 -14.265 2.216 2.216 95 HA ARG 13 HA ARG 13 -12.942 4.593 4.593 96 1HB ARG 13 2HB ARG 13 -11.868 4.829 4.829 97 2HB ARG 13 1HB ARG 13 -13.500 4.407 4.407 98 1HG ARG 13 2HG ARG 13 -12.990 2.538 2.538 99 2HG ARG 13 1HG ARG 13 -11.907 1.926 1.926 100 1HD ARG 13 2HD ARG 13 -11.260 3.634 3.634 101 2HD ARG 13 1HD ARG 13 -10.340 2.299 2.299 102 HE ARG 13 HE ARG 13 -10.004 5.078 5.078 103 1HH1 ARG 13 2HH1 ARG 13 -10.031 1.885 1.885 104 2HH1 ARG 13 1HH1 ARG 13 -9.004 2.214 2.214 105 1HH2 ARG 13 1HH2 ARG 13 -8.688 5.596 5.596 106 2HH2 ARG 13 2HH2 ARG 13 -8.212 4.372 4.372 107 1HN CGU 14 HN GLA 14 -12.510 1.169 1.169 108 HA CGU 14 HA GLA 14 -9.752 1.144 1.144 109 1HB CGU 14 1HB GLA 14 -10.676 -1.525 -1.525 110 2HB CGU 14 2HB GLA 14 -11.540 -0.660 -0.660 111 HG CGU 14 HG GLA 14 -9.481 0.183 0.183 112 H ALA 15 H ALA 15 -12.701 -0.543 -0.543 113 HA ALA 15 HA ALA 15 -11.536 -1.460 -1.460 114 1HB ALA 15 1HB ALA 15 -14.438 -0.878 -0.878 115 2HB ALA 15 3HB ALA 15 -13.938 -1.641 -1.641 116 3HB ALA 15 2HB ALA 15 -13.618 -2.433 -2.433 117 H GLU 16 H GLU 16 -12.255 1.676 1.676 118 HA GLU 16 HA GLU 16 -12.873 2.711 2.711 119 1HB GLU 16 2HB GLU 16 -13.110 3.693 3.693 120 2HB GLU 16 1HB GLU 16 -11.913 4.725 4.725 121 1HG GLU 16 2HG GLU 16 -13.983 5.794 5.794 122 2HG GLU 16 1HG GLU 16 -13.543 4.985 4.985 123 H VAL 17 H VAL 17 -10.237 3.049 3.049 124 HA VAL 17 HA VAL 17 -8.404 4.144 4.144 125 HB VAL 17 HB VAL 17 -7.881 2.893 2.893 126 1HG1 VAL 17 2HG1 VAL 17 -6.200 4.517 4.517 127 2HG1 VAL 17 1HG1 VAL 17 -6.040 4.884 4.884 128 3HG1 VAL 17 3HG1 VAL 17 -5.713 3.262 3.262 129 1HG2 VAL 17 3HG2 VAL 17 -8.588 5.765 5.765 130 2HG2 VAL 17 2HG2 VAL 17 -9.599 4.671 4.671 131 3HG2 VAL 17 1HG2 VAL 17 -8.100 5.261 5.261 132 H LYS 18 H LYS 18 -9.526 1.053 1.053 133 HA LYS 18 HA LYS 18 -7.277 -0.631 -0.631 134 1HB LYS 18 2HB LYS 18 -8.755 -2.291 -2.291 135 2HB LYS 18 1HB LYS 18 -9.734 -1.291 -1.291 136 1HG LYS 18 2HG LYS 18 -11.115 -1.443 -1.443 137 2HG LYS 18 1HG LYS 18 -10.287 0.058 0.058 138 1HD LYS 18 2HD LYS 18 -9.362 -0.804 -0.804 139 2HD LYS 18 1HD LYS 18 -8.747 -2.211 -2.211 140 1HE LYS 18 2HE LYS 18 -10.528 -3.529 -3.529 141 2HE LYS 18 1HE LYS 18 -11.697 -2.222 -2.222 142 1HZ LYS 18 3HZ LYS 18 -10.777 -1.314 -1.314 143 2HZ LYS 18 2HZ LYS 18 -9.705 -2.626 -2.626 144 3HZ LYS 18 1HZ LYS 18 -11.380 -2.888 -2.888 145 H LYS 19 H LYS 19 -8.625 1.516 1.516 146 HA LYS 19 HA LYS 19 -7.457 0.490 0.490 147 1HB LYS 19 2HB LYS 19 -8.728 3.042 3.042 148 2HB LYS 19 1HB LYS 19 -7.552 3.262 3.262 149 1HG LYS 19 2HG LYS 19 -9.034 1.037 1.037 150 2HG LYS 19 1HG LYS 19 -10.238 2.020 2.020 151 1HD LYS 19 2HD LYS 19 -8.327 3.455 3.455 152 2HD LYS 19 1HD LYS 19 -9.454 2.354 2.354 153 1HE LYS 19 2HE LYS 19 -10.918 3.970 3.970 154 2HE LYS 19 1HE LYS 19 -9.960 5.023 5.023 155 1HZ LYS 19 1HZ LYS 19 -10.864 3.619 3.619 156 2HZ LYS 19 3HZ LYS 19 -12.027 3.085 3.085 157 3HZ LYS 19 2HZ LYS 19 -11.909 4.737 4.737 158 H ASN 20 H ASN 20 -6.356 2.904 2.904 159 HA ASN 20 HA ASN 20 -3.816 3.343 3.343 160 1HB ASN 20 2HB ASN 20 -5.282 4.750 4.750 161 2HB ASN 20 1HB ASN 20 -4.087 4.016 4.016 162 1HD2 ASN 20 2HD2 ASN 20 -1.827 6.564 6.564 163 2HD2 ASN 20 1HD2 ASN 20 -2.555 5.627 5.627 164 H ALA 21 H ALA 21 -4.988 1.026 1.026 165 HA ALA 21 HA ALA 21 -2.429 0.281 0.281 166 1HB ALA 21 2HB ALA 21 -5.218 -0.814 -0.814 167 2HB ALA 21 1HB ALA 21 -3.926 -1.908 -1.908 168 3HB ALA 21 3HB ALA 21 -4.165 -0.420 -0.420 169 1HN NH2 22 1HT ALA 21 -4.499 -1.307 -1.307 170 2HN NH2 22 2HT ALA 21 -3.225 -2.175 -2.175 Start of MODEL 15 1 1H GLY 1 2H GLY 1 -28.538 -3.670 -3.670 2 2H GLY 1 1H GLY 1 -29.508 -3.007 -3.007 3 3H GLY 1 3H GLY 1 -29.961 -4.460 -4.460 4 1HA GLY 1 1HA GLY 1 -28.087 -5.570 -5.570 5 2HA GLY 1 2HA GLY 1 -29.011 -4.764 -4.764 6 H GLU 2 H GLU 2 -26.826 -3.514 -3.514 7 HA GLU 2 HA GLU 2 -25.321 -2.024 -2.024 8 1HB GLU 2 2HB GLU 2 -24.214 -0.984 -0.984 9 2HB GLU 2 1HB GLU 2 -25.954 -0.844 -0.844 10 1HG GLU 2 2HG GLU 2 -25.899 -1.745 -1.745 11 2HG GLU 2 1HG GLU 2 -25.451 -3.285 -3.285 12 1HN CGU 3 HN GLA 3 -24.926 -4.841 -4.841 13 HA CGU 3 HA GLA 3 -22.087 -5.067 -5.067 14 1HB CGU 3 1HB GLA 3 -22.574 -7.503 -7.503 15 2HB CGU 3 2HB GLA 3 -24.243 -7.212 -7.212 16 HG CGU 3 HG GLA 3 -23.823 -5.206 -5.206 17 1HN CGU 4 HN GLA 4 -24.444 -6.559 -6.559 18 HA CGU 4 HA GLA 4 -22.643 -7.804 -7.804 19 1HB CGU 4 1HB GLA 4 -24.903 -8.566 -8.566 20 2HB CGU 4 2HB GLA 4 -24.696 -7.812 -7.812 21 HG CGU 4 HG GLA 4 -25.510 -5.758 -5.758 22 H TYR 5 H TYR 5 -24.079 -4.632 -4.632 23 HA TYR 5 HA TYR 5 -23.250 -3.806 -3.806 24 1HB TYR 5 2HB TYR 5 -25.067 -2.809 -2.809 25 2HB TYR 5 1HB TYR 5 -23.720 -1.799 -1.799 26 HD1 TYR 5 HD2 TYR 5 -25.418 -3.022 -3.022 27 HD2 TYR 5 HD1 TYR 5 -23.343 0.185 0.185 28 HE1 TYR 5 HE2 TYR 5 -25.791 -1.615 -1.615 29 HE2 TYR 5 HE1 TYR 5 -23.720 1.589 1.589 30 HH TYR 5 HH TYR 5 -25.724 1.462 1.462 31 H GLN 6 H GLN 6 -21.737 -3.915 -3.915 32 HA GLN 6 HA GLN 6 -19.685 -1.980 -1.980 33 1HB GLN 6 2HB GLN 6 -20.386 -3.484 -3.484 34 2HB GLN 6 1HB GLN 6 -19.202 -4.604 -4.604 35 1HG GLN 6 2HG GLN 6 -17.576 -2.532 -2.532 36 2HG GLN 6 1HG GLN 6 -18.759 -1.791 -1.791 37 1HE2 GLN 6 2HE2 GLN 6 -16.555 -4.987 -4.987 38 2HE2 GLN 6 1HE2 GLN 6 -16.688 -4.690 -4.690 39 H LYS 7 H LYS 7 -20.022 -5.212 -5.212 40 HA LYS 7 HA LYS 7 -17.336 -5.739 -5.739 41 1HB LYS 7 2HB LYS 7 -19.501 -7.272 -7.272 42 2HB LYS 7 1HB LYS 7 -19.733 -6.794 -6.794 43 1HG LYS 7 2HG LYS 7 -17.602 -7.736 -7.736 44 2HG LYS 7 1HG LYS 7 -17.092 -7.927 -7.927 45 1HD LYS 7 2HD LYS 7 -17.757 -10.107 -10.107 46 2HD LYS 7 1HD LYS 7 -19.244 -9.474 -9.474 47 1HE LYS 7 2HE LYS 7 -18.804 -9.238 -9.238 48 2HE LYS 7 1HE LYS 7 -19.246 -10.798 -10.798 49 1HZ LYS 7 2HZ LYS 7 -21.063 -9.457 -9.457 50 2HZ LYS 7 1HZ LYS 7 -20.771 -8.295 -8.295 51 3HZ LYS 7 3HZ LYS 7 -21.260 -9.863 -9.863 52 H MET 8 H MET 8 -20.073 -4.378 -4.378 53 HA MET 8 HA MET 8 -18.640 -3.918 -3.918 54 1HB MET 8 2HB MET 8 -21.237 -4.018 -4.018 55 2HB MET 8 1HB MET 8 -21.080 -2.333 -2.333 56 1HG MET 8 2HG MET 8 -19.933 -3.262 -3.262 57 2HG MET 8 1HG MET 8 -21.647 -3.052 -3.052 58 1HE MET 8 2HE MET 8 -22.875 -1.219 -1.219 59 2HE MET 8 1HE MET 8 -22.512 -0.303 -0.303 60 3HE MET 8 3HE MET 8 -22.379 0.450 0.450 61 H LEU 9 H LEU 9 -19.330 -1.999 -1.999 62 HA LEU 9 HA LEU 9 -18.379 0.484 0.484 63 1HB LEU 9 2HB LEU 9 -19.292 -0.632 -0.632 64 2HB LEU 9 1HB LEU 9 -17.726 0.058 0.058 65 HG LEU 9 HG LEU 9 -20.084 1.424 1.424 66 1HD1 LEU 9 3HD1 LEU 9 -20.155 1.130 1.130 67 2HD1 LEU 9 2HD1 LEU 9 -18.623 1.980 1.980 68 3HD1 LEU 9 1HD1 LEU 9 -20.054 2.828 2.828 69 1HD2 LEU 9 2HD2 LEU 9 -17.177 2.300 2.300 70 2HD2 LEU 9 1HD2 LEU 9 -18.296 2.589 2.589 71 3HD2 LEU 9 3HD2 LEU 9 -18.412 3.534 3.534 72 1HN CGU 10 HN GLA 10 -16.741 -2.183 -2.183 73 HA CGU 10 HA GLA 10 -14.195 -1.112 -1.112 74 1HB CGU 10 1HB GLA 10 -13.769 -3.799 -3.799 75 2HB CGU 10 2HB GLA 10 -15.414 -3.774 -3.774 76 HG CGU 10 HG GLA 10 -14.367 -2.429 -2.429 77 H ASN 11 H ASN 11 -15.637 -2.282 -2.282 78 HA ASN 11 HA ASN 11 -13.181 -2.043 -2.043 79 1HB ASN 11 2HB ASN 11 -15.217 -3.754 -3.754 80 2HB ASN 11 1HB ASN 11 -15.967 -2.433 -2.433 81 1HD2 ASN 11 2HD2 ASN 11 -14.255 -3.356 -3.356 82 2HD2 ASN 11 1HD2 ASN 11 -15.707 -2.865 -2.865 83 H LEU 12 H LEU 12 -16.070 -0.238 -0.238 84 HA LEU 12 HA LEU 12 -15.876 1.617 1.617 85 1HB LEU 12 2HB LEU 12 -17.430 1.317 1.317 86 2HB LEU 12 1HB LEU 12 -17.087 3.002 3.002 87 HG LEU 12 HG LEU 12 -18.291 1.153 1.153 88 1HD1 LEU 12 1HD1 LEU 12 -19.660 3.146 3.146 89 2HD1 LEU 12 3HD1 LEU 12 -20.447 2.260 2.260 90 3HD1 LEU 12 2HD1 LEU 12 -19.810 1.398 1.398 91 1HD2 LEU 12 3HD2 LEU 12 -17.814 4.166 4.166 92 2HD2 LEU 12 2HD2 LEU 12 -17.272 3.063 3.063 93 3HD2 LEU 12 1HD2 LEU 12 -18.970 3.475 3.475 94 H ARG 13 H ARG 13 -14.903 2.026 2.026 95 HA ARG 13 HA ARG 13 -13.676 4.575 4.575 96 1HB ARG 13 2HB ARG 13 -12.334 3.944 3.944 97 2HB ARG 13 1HB ARG 13 -14.068 3.979 3.979 98 1HG ARG 13 2HG ARG 13 -14.263 1.753 1.753 99 2HG ARG 13 1HG ARG 13 -12.996 1.293 1.293 100 1HD ARG 13 2HD ARG 13 -12.510 2.515 2.515 101 2HD ARG 13 1HD ARG 13 -12.391 0.811 0.811 102 HE ARG 13 HE ARG 13 -10.467 2.902 2.902 103 1HH1 ARG 13 1HH2 ARG 13 -11.651 -0.306 -0.306 104 2HH1 ARG 13 2HH2 ARG 13 -10.169 -0.854 -0.854 105 1HH2 ARG 13 2HH1 ARG 13 -8.601 2.252 2.252 106 2HH2 ARG 13 1HH1 ARG 13 -8.396 0.627 0.627 107 1HN CGU 14 HN GLA 14 -12.506 1.258 1.258 108 HA CGU 14 HA GLA 14 -9.759 1.859 1.859 109 1HB CGU 14 1HB GLA 14 -10.599 -0.439 -0.439 110 2HB CGU 14 2HB GLA 14 -11.464 -0.466 -0.466 111 HG CGU 14 HG GLA 14 -9.312 -0.154 -0.154 112 H ALA 15 H ALA 15 -12.539 1.899 1.899 113 HA ALA 15 HA ALA 15 -11.094 2.160 2.160 114 1HB ALA 15 1HB ALA 15 -13.514 1.364 1.364 115 2HB ALA 15 3HB ALA 15 -13.958 3.033 3.033 116 3HB ALA 15 2HB ALA 15 -13.266 2.589 2.589 117 H GLU 16 H GLU 16 -12.248 4.343 4.343 118 HA GLU 16 HA GLU 16 -11.945 6.745 6.745 119 1HB GLU 16 2HB GLU 16 -13.451 6.449 6.449 120 2HB GLU 16 1HB GLU 16 -12.002 6.606 6.606 121 1HG GLU 16 2HG GLU 16 -11.584 8.852 8.852 122 2HG GLU 16 1HG GLU 16 -12.749 8.681 8.681 123 H VAL 17 H VAL 17 -9.903 4.957 4.957 124 HA VAL 17 HA VAL 17 -7.917 6.823 6.823 125 HB VAL 17 HB VAL 17 -7.687 3.809 3.809 126 1HG1 VAL 17 2HG1 VAL 17 -5.700 5.771 5.771 127 2HG1 VAL 17 1HG1 VAL 17 -5.618 4.036 4.036 128 3HG1 VAL 17 3HG1 VAL 17 -5.426 4.676 4.676 129 1HG2 VAL 17 3HG2 VAL 17 -9.052 5.225 5.225 130 2HG2 VAL 17 2HG2 VAL 17 -8.508 3.564 3.564 131 3HG2 VAL 17 1HG2 VAL 17 -7.514 4.856 4.856 132 H LYS 18 H LYS 18 -8.427 4.872 4.872 133 HA LYS 18 HA LYS 18 -5.946 5.306 5.306 134 1HB LYS 18 2HB LYS 18 -8.704 4.415 4.415 135 2HB LYS 18 1HB LYS 18 -7.723 5.006 5.006 136 1HG LYS 18 2HG LYS 18 -6.182 3.161 3.161 137 2HG LYS 18 1HG LYS 18 -7.668 2.424 2.424 138 1HD LYS 18 2HD LYS 18 -6.914 3.430 3.430 139 2HD LYS 18 1HD LYS 18 -5.330 3.434 3.434 140 1HE LYS 18 2HE LYS 18 -6.848 0.878 0.878 141 2HE LYS 18 1HE LYS 18 -6.426 1.279 1.279 142 1HZ LYS 18 3HZ LYS 18 -4.135 1.541 1.541 143 2HZ LYS 18 2HZ LYS 18 -4.537 1.158 1.158 144 3HZ LYS 18 1HZ LYS 18 -4.712 -0.009 -0.009 145 H LYS 19 H LYS 19 -9.068 6.889 6.889 146 HA LYS 19 HA LYS 19 -7.931 8.966 8.966 147 1HB LYS 19 2HB LYS 19 -10.194 10.012 10.012 148 2HB LYS 19 1HB LYS 19 -10.271 8.321 8.321 149 1HG LYS 19 2HG LYS 19 -11.061 7.639 7.639 150 2HG LYS 19 1HG LYS 19 -10.456 9.067 9.067 151 1HD LYS 19 2HD LYS 19 -12.573 9.442 9.442 152 2HD LYS 19 1HD LYS 19 -13.052 8.804 8.804 153 1HE LYS 19 2HE LYS 19 -11.845 10.784 10.784 154 2HE LYS 19 1HE LYS 19 -11.653 11.455 11.455 155 1HZ LYS 19 3HZ LYS 19 -14.260 10.692 10.692 156 2HZ LYS 19 2HZ LYS 19 -13.616 12.263 12.263 157 3HZ LYS 19 1HZ LYS 19 -13.991 11.537 11.537 158 H ASN 20 H ASN 20 -8.040 8.568 8.568 159 HA ASN 20 HA ASN 20 -8.061 11.392 11.392 160 1HB ASN 20 2HB ASN 20 -8.806 9.442 9.442 161 2HB ASN 20 1HB ASN 20 -7.102 9.065 9.065 162 1HD2 ASN 20 2HD2 ASN 20 -8.605 12.556 12.556 163 2HD2 ASN 20 1HD2 ASN 20 -9.368 11.855 11.855 164 H ALA 21 H ALA 21 -5.811 9.522 9.522 165 HA ALA 21 HA ALA 21 -3.386 10.483 10.483 166 1HB ALA 21 1HB ALA 21 -3.632 8.254 8.254 167 2HB ALA 21 3HB ALA 21 -3.669 9.143 9.143 168 3HB ALA 21 2HB ALA 21 -2.232 9.191 9.191 169 1HN NH2 22 1HT ALA 21 -5.269 12.578 12.578 170 2HN NH2 22 2HT ALA 21 -4.333 13.482 13.482 Start of MODEL 16 1 1H GLY 1 2H GLY 1 -30.147 -5.512 -5.512 2 2H GLY 1 1H GLY 1 -29.420 -6.999 -6.999 3 3H GLY 1 3H GLY 1 -30.744 -6.964 -6.964 4 1HA GLY 1 1HA GLY 1 -29.524 -5.959 -5.959 5 2HA GLY 1 2HA GLY 1 -28.556 -7.341 -7.341 6 H GLU 2 H GLU 2 -27.404 -5.235 -5.235 7 HA GLU 2 HA GLU 2 -26.312 -3.286 -3.286 8 1HB GLU 2 2HB GLU 2 -25.401 -3.784 -3.784 9 2HB GLU 2 1HB GLU 2 -25.176 -2.339 -2.339 10 1HG GLU 2 2HG GLU 2 -27.149 -1.497 -1.497 11 2HG GLU 2 1HG GLU 2 -28.024 -2.834 -2.834 12 1HN CGU 3 HN GLA 3 -25.231 -6.377 -6.377 13 HA CGU 3 HA GLA 3 -22.434 -6.020 -6.020 14 1HB CGU 3 1HB GLA 3 -23.729 -7.992 -7.992 15 2HB CGU 3 2HB GLA 3 -22.301 -8.390 -8.390 16 HG CGU 3 HG GLA 3 -24.409 -9.780 -9.780 17 1HN CGU 4 HN GLA 4 -24.799 -6.020 -6.020 18 HA CGU 4 HA GLA 4 -22.980 -6.887 -6.887 19 1HB CGU 4 1HB GLA 4 -25.189 -5.677 -5.677 20 2HB CGU 4 2HB GLA 4 -25.857 -6.183 -6.183 21 HG CGU 4 HG GLA 4 -25.114 -8.513 -8.513 22 H TYR 5 H TYR 5 -24.272 -3.914 -3.914 23 HA TYR 5 HA TYR 5 -23.163 -2.194 -2.194 24 1HB TYR 5 2HB TYR 5 -25.099 -1.585 -1.585 25 2HB TYR 5 1HB TYR 5 -23.896 -1.365 -1.365 26 HD1 TYR 5 HD2 TYR 5 -24.237 -0.405 -0.405 27 HD2 TYR 5 HD1 TYR 5 -23.240 0.904 0.904 28 HE1 TYR 5 HE2 TYR 5 -23.768 1.834 1.834 29 HE2 TYR 5 HE1 TYR 5 -22.775 3.145 3.145 30 HH TYR 5 HH TYR 5 -23.816 4.372 4.372 31 H GLN 6 H GLN 6 -21.723 -3.847 -3.847 32 HA GLN 6 HA GLN 6 -19.557 -1.893 -1.893 33 1HB GLN 6 2HB GLN 6 -20.740 -3.802 -3.802 34 2HB GLN 6 1HB GLN 6 -19.265 -4.625 -4.625 35 1HG GLN 6 2HG GLN 6 -17.912 -2.714 -2.714 36 2HG GLN 6 1HG GLN 6 -19.373 -1.808 -1.808 37 1HE2 GLN 6 2HE2 GLN 6 -20.207 -4.057 -4.057 38 2HE2 GLN 6 1HE2 GLN 6 -20.977 -3.295 -3.295 39 H LYS 7 H LYS 7 -19.916 -5.155 -5.155 40 HA LYS 7 HA LYS 7 -17.175 -5.489 -5.489 41 1HB LYS 7 2HB LYS 7 -19.562 -7.063 -7.063 42 2HB LYS 7 1HB LYS 7 -19.075 -6.911 -6.911 43 1HG LYS 7 2HG LYS 7 -16.664 -7.532 -7.532 44 2HG LYS 7 1HG LYS 7 -17.603 -8.182 -8.182 45 1HD LYS 7 2HD LYS 7 -18.140 -10.034 -10.034 46 2HD LYS 7 1HD LYS 7 -18.830 -9.085 -9.085 47 1HE LYS 7 2HE LYS 7 -15.977 -8.853 -8.853 48 2HE LYS 7 1HE LYS 7 -16.304 -10.537 -10.537 49 1HZ LYS 7 1HZ LYS 7 -18.209 -9.627 -9.627 50 2HZ LYS 7 3HZ LYS 7 -16.667 -9.171 -9.171 51 3HZ LYS 7 2HZ LYS 7 -17.000 -10.800 -10.800 52 H MET 8 H MET 8 -20.021 -4.419 -4.419 53 HA MET 8 HA MET 8 -18.659 -3.964 -3.964 54 1HB MET 8 2HB MET 8 -20.687 -2.689 -2.689 55 2HB MET 8 1HB MET 8 -21.149 -4.131 -4.131 56 1HG MET 8 2HG MET 8 -22.465 -2.572 -2.572 57 2HG MET 8 1HG MET 8 -21.082 -2.561 -2.561 58 1HE MET 8 1HE MET 8 -22.396 -0.955 -0.955 59 2HE MET 8 3HE MET 8 -23.540 -0.426 -0.426 60 3HE MET 8 2HE MET 8 -22.488 0.730 0.730 61 H LEU 9 H LEU 9 -18.977 -2.077 -2.077 62 HA LEU 9 HA LEU 9 -18.094 0.421 0.421 63 1HB LEU 9 2HB LEU 9 -18.807 -0.646 -0.646 64 2HB LEU 9 1HB LEU 9 -17.286 0.175 0.175 65 HG LEU 9 HG LEU 9 -19.868 1.301 1.301 66 1HD1 LEU 9 1HD1 LEU 9 -19.462 1.142 1.142 67 2HD1 LEU 9 3HD1 LEU 9 -18.042 2.154 2.154 68 3HD1 LEU 9 2HD1 LEU 9 -19.643 2.807 2.807 69 1HD2 LEU 9 3HD2 LEU 9 -17.015 2.319 2.319 70 2HD2 LEU 9 2HD2 LEU 9 -18.362 2.531 2.531 71 3HD2 LEU 9 1HD2 LEU 9 -18.241 3.521 3.521 72 1HN CGU 10 HN GLA 10 -16.422 -2.312 -2.312 73 HA CGU 10 HA GLA 10 -13.844 -1.156 -1.156 74 1HB CGU 10 1HB GLA 10 -13.429 -3.878 -3.878 75 2HB CGU 10 2HB GLA 10 -15.010 -3.873 -3.873 76 HG CGU 10 HG GLA 10 -14.110 -2.745 -2.745 77 H ASN 11 H ASN 11 -15.681 -2.136 -2.136 78 HA ASN 11 HA ASN 11 -13.429 -2.040 -2.040 79 1HB ASN 11 2HB ASN 11 -15.479 -3.749 -3.749 80 2HB ASN 11 1HB ASN 11 -16.309 -2.465 -2.465 81 1HD2 ASN 11 2HD2 ASN 11 -14.524 -2.919 -2.919 82 2HD2 ASN 11 1HD2 ASN 11 -15.646 -1.977 -1.977 83 H LEU 12 H LEU 12 -16.254 -0.194 -0.194 84 HA LEU 12 HA LEU 12 -16.216 1.635 1.635 85 1HB LEU 12 2HB LEU 12 -17.738 1.206 1.206 86 2HB LEU 12 1HB LEU 12 -17.383 2.910 2.910 87 HG LEU 12 HG LEU 12 -18.595 1.268 1.268 88 1HD1 LEU 12 3HD1 LEU 12 -20.114 1.336 1.336 89 2HD1 LEU 12 2HD1 LEU 12 -20.009 3.088 3.088 90 3HD1 LEU 12 1HD1 LEU 12 -20.773 2.253 2.253 91 1HD2 LEU 12 3HD2 LEU 12 -18.239 4.257 4.257 92 2HD2 LEU 12 2HD2 LEU 12 -17.576 3.335 3.335 93 3HD2 LEU 12 1HD2 LEU 12 -19.301 3.638 3.638 94 H ARG 13 H ARG 13 -15.273 2.117 2.117 95 HA ARG 13 HA ARG 13 -13.804 4.548 4.548 96 1HB ARG 13 2HB ARG 13 -14.777 3.841 3.841 97 2HB ARG 13 1HB ARG 13 -13.414 2.751 2.751 98 1HG ARG 13 2HG ARG 13 -11.847 4.470 4.470 99 2HG ARG 13 1HG ARG 13 -12.813 5.680 5.680 100 1HD ARG 13 2HD ARG 13 -14.039 4.512 4.512 101 2HD ARG 13 1HD ARG 13 -12.497 5.197 5.197 102 HE ARG 13 HE ARG 13 -13.182 6.810 6.810 103 1HH1 ARG 13 1HH2 ARG 13 -14.550 6.150 6.150 104 2HH1 ARG 13 2HH2 ARG 13 -16.251 6.124 6.124 105 1HH2 ARG 13 2HH1 ARG 13 -16.011 6.826 6.826 106 2HH2 ARG 13 1HH1 ARG 13 -17.088 6.529 6.529 107 1HN CGU 14 HN GLA 14 -13.000 1.322 1.322 108 HA CGU 14 HA GLA 14 -10.274 1.160 1.160 109 1HB CGU 14 1HB GLA 14 -12.067 -0.402 -0.402 110 2HB CGU 14 2HB GLA 14 -10.365 -0.745 -0.745 111 HG CGU 14 HG GLA 14 -11.638 0.795 0.795 112 H ALA 15 H ALA 15 -11.875 3.075 3.075 113 HA ALA 15 HA ALA 15 -9.570 3.697 3.697 114 1HB ALA 15 1HB ALA 15 -12.067 3.921 3.921 115 2HB ALA 15 3HB ALA 15 -12.041 5.438 5.438 116 3HB ALA 15 2HB ALA 15 -11.019 5.225 5.225 117 H GLU 16 H GLU 16 -11.091 5.241 5.241 118 HA GLU 16 HA GLU 16 -9.403 7.582 7.582 119 1HB GLU 16 2HB GLU 16 -11.763 6.971 6.971 120 2HB GLU 16 1HB GLU 16 -10.711 6.717 6.717 121 1HG GLU 16 2HG GLU 16 -9.753 9.023 9.023 122 2HG GLU 16 1HG GLU 16 -10.887 9.252 9.252 123 H VAL 17 H VAL 17 -9.257 4.510 4.510 124 HA VAL 17 HA VAL 17 -7.311 5.011 5.011 125 HB VAL 17 HB VAL 17 -7.778 2.486 2.486 126 1HG1 VAL 17 2HG1 VAL 17 -5.567 2.389 2.389 127 2HG1 VAL 17 1HG1 VAL 17 -6.391 2.803 2.803 128 3HG1 VAL 17 3HG1 VAL 17 -6.728 1.276 1.276 129 1HG2 VAL 17 1HG2 VAL 17 -9.731 3.514 3.514 130 2HG2 VAL 17 3HG2 VAL 17 -9.332 1.835 1.835 131 3HG2 VAL 17 2HG2 VAL 17 -8.777 3.081 3.081 132 H LYS 18 H LYS 18 -7.002 4.601 4.601 133 HA LYS 18 HA LYS 18 -4.346 3.932 3.932 134 1HB LYS 18 2HB LYS 18 -6.311 4.409 4.409 135 2HB LYS 18 1HB LYS 18 -5.776 6.073 6.073 136 1HG LYS 18 2HG LYS 18 -3.956 5.658 5.658 137 2HG LYS 18 1HG LYS 18 -3.548 4.173 4.173 138 1HD LYS 18 2HD LYS 18 -5.999 3.682 3.682 139 2HD LYS 18 1HD LYS 18 -4.933 4.566 4.566 140 1HE LYS 18 2HE LYS 18 -4.126 2.460 2.460 141 2HE LYS 18 1HE LYS 18 -3.145 2.735 2.735 142 1HZ LYS 18 2HZ LYS 18 -5.842 1.584 1.584 143 2HZ LYS 18 1HZ LYS 18 -4.520 0.609 0.609 144 3HZ LYS 18 3HZ LYS 18 -4.514 1.446 1.446 145 H LYS 19 H LYS 19 -5.625 7.184 7.184 146 HA LYS 19 HA LYS 19 -2.996 8.441 8.441 147 1HB LYS 19 2HB LYS 19 -5.807 9.290 9.290 148 2HB LYS 19 1HB LYS 19 -4.857 10.227 10.227 149 1HG LYS 19 2HG LYS 19 -3.380 11.019 11.019 150 2HG LYS 19 1HG LYS 19 -3.897 9.799 9.799 151 1HD LYS 19 2HD LYS 19 -6.158 11.472 11.472 152 2HD LYS 19 1HD LYS 19 -4.889 12.433 12.433 153 1HE LYS 19 2HE LYS 19 -5.007 11.222 11.222 154 2HE LYS 19 1HE LYS 19 -5.979 9.941 9.941 155 1HZ LYS 19 3HZ LYS 19 -7.523 12.031 12.031 156 2HZ LYS 19 2HZ LYS 19 -6.764 12.568 12.568 157 3HZ LYS 19 1HZ LYS 19 -7.622 11.104 11.104 158 H ASN 20 H ASN 20 -5.186 7.270 7.270 159 HA ASN 20 HA ASN 20 -4.026 8.423 8.423 160 1HB ASN 20 2HB ASN 20 -5.969 6.345 6.345 161 2HB ASN 20 1HB ASN 20 -4.984 5.801 5.801 162 1HD2 ASN 20 2HD2 ASN 20 -7.592 8.895 8.895 163 2HD2 ASN 20 1HD2 ASN 20 -7.273 8.267 8.267 164 H ALA 21 H ALA 21 -3.020 5.882 5.882 165 HA ALA 21 HA ALA 21 -1.135 4.615 4.615 166 1HB ALA 21 2HB ALA 21 -2.193 4.097 4.097 167 2HB ALA 21 1HB ALA 21 -0.455 4.205 4.205 168 3HB ALA 21 3HB ALA 21 -1.149 3.062 3.062 169 1HN NH2 22 1HT ALA 21 -0.840 6.988 6.988 170 2HN NH2 22 2HT ALA 21 0.711 7.533 7.533 Start of MODEL 17 1 1H GLY 1 3H GLY 1 -28.438 -3.673 -3.673 2 2H GLY 1 2H GLY 1 -29.149 -5.059 -5.059 3 3H GLY 1 1H GLY 1 -30.122 -3.891 -3.891 4 1HA GLY 1 1HA GLY 1 -30.156 -2.540 -2.540 5 2HA GLY 1 2HA GLY 1 -29.803 -4.055 -4.055 6 H GLU 2 H GLU 2 -29.124 -2.216 -2.216 7 HA GLU 2 HA GLU 2 -26.631 -0.858 -0.858 8 1HB GLU 2 2HB GLU 2 -28.673 -0.279 -0.279 9 2HB GLU 2 1HB GLU 2 -27.762 -1.212 -1.212 10 1HG GLU 2 2HG GLU 2 -25.744 0.372 0.372 11 2HG GLU 2 1HG GLU 2 -27.032 1.404 1.404 12 1HN CGU 3 HN GLA 3 -27.450 -3.790 -3.790 13 HA CGU 3 HA GLA 3 -24.949 -4.151 -4.151 14 1HB CGU 3 1HB GLA 3 -27.487 -5.395 -5.395 15 2HB CGU 3 2HB GLA 3 -26.183 -5.776 -5.776 16 HG CGU 3 HG GLA 3 -26.462 -7.112 -7.112 17 1HN CGU 4 HN GLA 4 -26.177 -5.539 -5.539 18 HA CGU 4 HA GLA 4 -23.913 -7.121 -7.121 19 1HB CGU 4 1HB GLA 4 -25.988 -7.794 -7.794 20 2HB CGU 4 2HB GLA 4 -25.154 -7.136 -7.136 21 HG CGU 4 HG GLA 4 -26.455 -4.925 -4.925 22 H TYR 5 H TYR 5 -24.802 -3.828 -3.828 23 HA TYR 5 HA TYR 5 -23.038 -3.381 -3.381 24 1HB TYR 5 2HB TYR 5 -24.822 -1.786 -1.786 25 2HB TYR 5 1HB TYR 5 -24.070 -1.446 -1.446 26 HD1 TYR 5 HD1 TYR 5 -23.514 -1.205 -1.205 27 HD2 TYR 5 HD2 TYR 5 -22.334 0.192 0.192 28 HE1 TYR 5 HE1 TYR 5 -22.148 0.537 0.537 29 HE2 TYR 5 HE2 TYR 5 -20.973 1.928 1.928 30 HH TYR 5 HH TYR 5 -20.851 3.144 3.144 31 H GLN 6 H GLN 6 -22.381 -3.893 -3.893 32 HA GLN 6 HA GLN 6 -19.975 -2.413 -2.413 33 1HB GLN 6 2HB GLN 6 -21.568 -3.831 -3.831 34 2HB GLN 6 1HB GLN 6 -20.377 -5.077 -5.077 35 1HG GLN 6 2HG GLN 6 -19.596 -3.897 -3.897 36 2HG GLN 6 1HG GLN 6 -18.599 -3.278 -3.278 37 1HE2 GLN 6 2HE2 GLN 6 -21.647 -0.858 -0.858 38 2HE2 GLN 6 1HE2 GLN 6 -21.874 -2.538 -2.538 39 H LYS 7 H LYS 7 -20.519 -4.802 -4.802 40 HA LYS 7 HA LYS 7 -17.780 -5.990 -5.990 41 1HB LYS 7 2HB LYS 7 -19.894 -7.416 -7.416 42 2HB LYS 7 1HB LYS 7 -20.172 -6.561 -6.561 43 1HG LYS 7 2HG LYS 7 -17.460 -7.841 -7.841 44 2HG LYS 7 1HG LYS 7 -18.828 -8.896 -8.896 45 1HD LYS 7 2HD LYS 7 -19.356 -7.279 -7.279 46 2HD LYS 7 1HD LYS 7 -17.690 -6.772 -6.772 47 1HE LYS 7 2HE LYS 7 -18.383 -9.722 -9.722 48 2HE LYS 7 1HE LYS 7 -18.187 -8.737 -8.737 49 1HZ LYS 7 1HZ LYS 7 -16.151 -8.812 -8.812 50 2HZ LYS 7 3HZ LYS 7 -16.160 -9.922 -9.922 51 3HZ LYS 7 2HZ LYS 7 -15.987 -8.261 -8.261 52 H MET 8 H MET 8 -20.011 -4.219 -4.219 53 HA MET 8 HA MET 8 -18.087 -3.571 -3.571 54 1HB MET 8 2HB MET 8 -20.897 -3.603 -3.603 55 2HB MET 8 1HB MET 8 -20.527 -1.902 -1.902 56 1HG MET 8 2HG MET 8 -19.285 -2.361 -2.361 57 2HG MET 8 1HG MET 8 -19.496 -4.074 -4.074 58 1HE MET 8 3HE MET 8 -21.370 -0.774 -0.774 59 2HE MET 8 2HE MET 8 -20.853 -1.000 -1.000 60 3HE MET 8 1HE MET 8 -22.560 -1.048 -1.048 61 H LEU 9 H LEU 9 -18.833 -2.095 -2.095 62 HA LEU 9 HA LEU 9 -18.284 0.599 0.599 63 1HB LEU 9 2HB LEU 9 -19.069 0.648 0.648 64 2HB LEU 9 1HB LEU 9 -19.230 -1.050 -1.050 65 HG LEU 9 HG LEU 9 -18.397 -0.349 -0.349 66 1HD1 LEU 9 3HD1 LEU 9 -17.193 -2.381 -2.381 67 2HD1 LEU 9 2HD1 LEU 9 -15.818 -1.537 -1.537 68 3HD1 LEU 9 1HD1 LEU 9 -17.130 -2.058 -2.058 69 1HD2 LEU 9 2HD2 LEU 9 -17.170 1.787 1.787 70 2HD2 LEU 9 1HD2 LEU 9 -16.425 1.033 1.033 71 3HD2 LEU 9 3HD2 LEU 9 -15.768 0.750 0.750 72 1HN CGU 10 HN GLA 10 -16.557 -1.973 -1.973 73 HA CGU 10 HA GLA 10 -13.973 -0.905 -0.905 74 1HB CGU 10 1HB GLA 10 -15.200 -3.445 -3.445 75 2HB CGU 10 2HB GLA 10 -13.604 -3.014 -3.014 76 HG CGU 10 HG GLA 10 -14.226 -4.085 -4.085 77 H ASN 11 H ASN 11 -15.382 -2.436 -2.436 78 HA ASN 11 HA ASN 11 -13.037 -1.941 -1.941 79 1HB ASN 11 2HB ASN 11 -14.938 -3.874 -3.874 80 2HB ASN 11 1HB ASN 11 -15.701 -2.750 -2.750 81 1HD2 ASN 11 2HD2 ASN 11 -13.250 -3.173 -3.173 82 2HD2 ASN 11 1HD2 ASN 11 -14.496 -2.171 -2.171 83 H LEU 12 H LEU 12 -15.818 -0.141 -0.141 84 HA LEU 12 HA LEU 12 -15.935 1.404 1.404 85 1HB LEU 12 2HB LEU 12 -17.238 1.414 1.414 86 2HB LEU 12 1HB LEU 12 -17.203 2.962 2.962 87 HG LEU 12 HG LEU 12 -19.086 0.907 0.907 88 1HD1 LEU 12 1HD1 LEU 12 -18.567 3.397 3.397 89 2HD1 LEU 12 3HD1 LEU 12 -20.058 2.474 2.474 90 3HD1 LEU 12 2HD1 LEU 12 -19.596 3.299 3.299 91 1HD2 LEU 12 1HD2 LEU 12 -17.575 -0.246 -0.246 92 2HD2 LEU 12 3HD2 LEU 12 -19.120 0.262 0.262 93 3HD2 LEU 12 2HD2 LEU 12 -17.681 1.194 1.194 94 H ARG 13 H ARG 13 -14.611 2.052 2.052 95 HA ARG 13 HA ARG 13 -13.598 4.668 4.668 96 1HB ARG 13 2HB ARG 13 -12.796 2.598 2.598 97 2HB ARG 13 1HB ARG 13 -12.098 4.209 4.209 98 1HG ARG 13 2HG ARG 13 -14.175 5.277 5.277 99 2HG ARG 13 1HG ARG 13 -15.111 3.856 3.856 100 1HD ARG 13 2HD ARG 13 -14.513 4.613 4.613 101 2HD ARG 13 1HD ARG 13 -14.863 2.957 2.957 102 HE ARG 13 HE ARG 13 -12.210 4.078 4.078 103 1HH1 ARG 13 1HH2 ARG 13 -14.052 1.369 1.369 104 2HH1 ARG 13 2HH2 ARG 13 -12.780 0.257 0.257 105 1HH2 ARG 13 2HH1 ARG 13 -10.607 2.629 2.629 106 2HH2 ARG 13 1HH1 ARG 13 -10.845 0.950 0.950 107 1HN CGU 14 HN GLA 14 -12.273 1.415 1.415 108 HA CGU 14 HA GLA 14 -9.619 2.129 2.129 109 1HB CGU 14 1HB GLA 14 -10.222 -0.498 -0.498 110 2HB CGU 14 2HB GLA 14 -11.214 -0.295 -0.295 111 HG CGU 14 HG GLA 14 -9.036 0.645 0.645 112 H ALA 15 H ALA 15 -12.521 1.258 1.258 113 HA ALA 15 HA ALA 15 -11.288 1.222 1.222 114 1HB ALA 15 1HB ALA 15 -14.188 1.601 1.601 115 2HB ALA 15 3HB ALA 15 -13.697 1.466 1.466 116 3HB ALA 15 2HB ALA 15 -13.432 0.122 0.122 117 H GLU 16 H GLU 16 -12.554 3.676 3.676 118 HA GLU 16 HA GLU 16 -12.870 5.763 5.763 119 1HB GLU 16 2HB GLU 16 -13.245 5.455 5.455 120 2HB GLU 16 1HB GLU 16 -12.120 6.781 6.781 121 1HG GLU 16 2HG GLU 16 -13.651 7.968 7.968 122 2HG GLU 16 1HG GLU 16 -14.749 6.597 6.597 123 H VAL 17 H VAL 17 -10.150 4.658 4.658 124 HA VAL 17 HA VAL 17 -8.377 6.769 6.769 125 HB VAL 17 HB VAL 17 -7.806 3.753 3.753 126 1HG1 VAL 17 3HG1 VAL 17 -5.915 6.121 6.121 127 2HG1 VAL 17 2HG1 VAL 17 -5.529 4.479 4.479 128 3HG1 VAL 17 1HG1 VAL 17 -5.785 4.857 4.857 129 1HG2 VAL 17 1HG2 VAL 17 -9.056 4.786 4.786 130 2HG2 VAL 17 3HG2 VAL 17 -7.504 4.094 4.094 131 3HG2 VAL 17 2HG2 VAL 17 -7.676 5.834 5.834 132 H LYS 18 H LYS 18 -9.072 4.056 4.056 133 HA LYS 18 HA LYS 18 -7.084 4.461 4.461 134 1HB LYS 18 2HB LYS 18 -9.878 3.264 3.264 135 2HB LYS 18 1HB LYS 18 -8.777 3.264 3.264 136 1HG LYS 18 2HG LYS 18 -7.078 2.057 2.057 137 2HG LYS 18 1HG LYS 18 -8.271 1.964 1.964 138 1HD LYS 18 2HD LYS 18 -9.821 0.758 0.758 139 2HD LYS 18 1HD LYS 18 -8.588 0.824 0.824 140 1HE LYS 18 2HE LYS 18 -7.914 -1.202 -1.202 141 2HE LYS 18 1HE LYS 18 -7.184 -0.311 -0.311 142 1HZ LYS 18 1HZ LYS 18 -9.554 -0.457 -0.457 143 2HZ LYS 18 3HZ LYS 18 -9.734 -1.753 -1.753 144 3HZ LYS 18 2HZ LYS 18 -8.513 -1.795 -1.795 145 H LYS 19 H LYS 19 -10.508 5.458 5.458 146 HA LYS 19 HA LYS 19 -10.102 7.108 7.108 147 1HB LYS 19 2HB LYS 19 -12.399 7.826 7.826 148 2HB LYS 19 1HB LYS 19 -12.296 6.109 6.109 149 1HG LYS 19 2HG LYS 19 -12.831 6.266 6.266 150 2HG LYS 19 1HG LYS 19 -11.918 7.733 7.733 151 1HD LYS 19 2HD LYS 19 -13.791 8.941 8.941 152 2HD LYS 19 1HD LYS 19 -14.048 8.550 8.550 153 1HE LYS 19 2HE LYS 19 -14.905 6.419 6.419 154 2HE LYS 19 1HE LYS 19 -15.813 7.917 7.917 155 1HZ LYS 19 3HZ LYS 19 -15.938 7.711 7.711 156 2HZ LYS 19 2HZ LYS 19 -15.409 6.110 6.110 157 3HZ LYS 19 1HZ LYS 19 -16.868 6.621 6.621 158 H ASN 20 H ASN 20 -9.467 7.679 7.679 159 HA ASN 20 HA ASN 20 -9.631 10.620 10.620 160 1HB ASN 20 2HB ASN 20 -10.200 9.167 9.167 161 2HB ASN 20 1HB ASN 20 -8.461 9.167 9.167 162 1HD2 ASN 20 2HD2 ASN 20 -10.664 12.536 12.536 163 2HD2 ASN 20 1HD2 ASN 20 -11.369 11.148 11.148 164 H ALA 21 H ALA 21 -7.551 8.412 8.412 165 HA ALA 21 HA ALA 21 -4.991 9.563 9.563 166 1HB ALA 21 3HB ALA 21 -5.459 7.098 7.098 167 2HB ALA 21 2HB ALA 21 -5.483 7.627 7.627 168 3HB ALA 21 1HB ALA 21 -4.024 7.811 7.811 169 1HN NH2 22 1HT ALA 21 -6.847 11.456 11.456 170 2HN NH2 22 2HT ALA 21 -6.033 11.981 11.981
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