NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
8349 | 1m36 | 5464 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 16.678 -19.197 0.212 2 2H GLY 1 2H GLY 1 17.961 -19.462 -0.861 3 3H GLY 1 3H GLY 1 16.359 -19.570 -1.411 4 1HA GLY 1 2HA GLY 1 17.916 -17.398 -1.668 5 2HA GLY 1 1HA GLY 1 16.159 -17.378 -1.700 6 H SER 2 H SER 2 15.633 -15.547 -0.636 7 HA SER 2 HA SER 2 17.001 -14.921 1.873 8 1HB SER 2 2HB SER 2 15.069 -12.975 1.511 9 2HB SER 2 1HB SER 2 16.750 -12.854 0.996 10 HG SER 2 HG SER 2 14.477 -13.594 -0.522 11 H ARG 3 H ARG 3 14.272 -16.543 0.760 12 HA ARG 3 HA ARG 3 12.437 -17.453 1.723 13 1HB ARG 3 2HB ARG 3 14.473 -17.667 3.618 14 2HB ARG 3 1HB ARG 3 13.105 -17.030 4.520 15 1HG ARG 3 2HG ARG 3 11.738 -18.905 3.538 16 2HG ARG 3 1HG ARG 3 13.255 -19.588 2.954 17 1HD ARG 3 2HD ARG 3 13.696 -20.450 4.954 18 2HD ARG 3 1HD ARG 3 13.502 -18.873 5.720 19 HE ARG 3 HE ARG 3 11.278 -20.753 5.205 20 1HH1 ARG 3 2HH1 ARG 3 12.869 -18.324 7.181 21 2HH1 ARG 3 1HH1 ARG 3 11.605 -18.294 8.371 22 1HH2 ARG 3 2HH2 ARG 3 9.621 -20.719 6.781 23 2HH2 ARG 3 1HH2 ARG 3 9.767 -19.661 8.160 24 H LEU 4 H LEU 4 12.374 -14.699 1.094 25 HA LEU 4 HA LEU 4 10.721 -13.547 3.234 26 1HB LEU 4 2HB LEU 4 12.136 -11.839 2.739 27 2HB LEU 4 1HB LEU 4 12.458 -12.430 1.122 28 HG LEU 4 HG LEU 4 9.837 -11.559 0.956 29 1HD1 LEU 4 1HD1 LEU 4 10.757 -9.087 1.921 30 2HD1 LEU 4 2HD1 LEU 4 9.433 -10.070 2.547 31 3HD1 LEU 4 3HD1 LEU 4 11.061 -10.266 3.198 32 1HD2 LEU 4 1HD2 LEU 4 12.253 -9.881 0.333 33 2HD2 LEU 4 2HD2 LEU 4 11.784 -11.287 -0.622 34 3HD2 LEU 4 3HD2 LEU 4 10.698 -9.903 -0.499 35 HA PRO 5 HA PRO 5 7.337 -14.849 0.600 36 1HB PRO 5 2HB PRO 5 5.362 -14.173 2.326 37 2HB PRO 5 1HB PRO 5 6.316 -15.651 2.495 38 1HG PRO 5 2HG PRO 5 6.587 -13.042 3.930 39 2HG PRO 5 1HG PRO 5 6.722 -14.691 4.569 40 1HD PRO 5 2HD PRO 5 8.881 -13.144 3.984 41 2HD PRO 5 1HD PRO 5 8.905 -14.915 3.875 42 H LYS 6 H LYS 6 6.697 -13.658 -1.029 43 HA LYS 6 HA LYS 6 6.542 -10.793 -0.868 44 1HB LYS 6 2HB LYS 6 6.544 -12.818 -2.964 45 2HB LYS 6 1HB LYS 6 5.358 -11.556 -3.270 46 1HG LYS 6 2HG LYS 6 8.231 -10.971 -2.612 47 2HG LYS 6 1HG LYS 6 7.640 -11.188 -4.260 48 1HD LYS 6 2HD LYS 6 5.867 -9.383 -3.068 49 2HD LYS 6 1HD LYS 6 7.476 -8.874 -2.546 50 1HE LYS 6 2HE LYS 6 7.176 -9.586 -5.396 51 2HE LYS 6 1HE LYS 6 6.363 -8.115 -4.869 52 1HZ LYS 6 1HZ LYS 6 8.420 -7.327 -5.438 53 2HZ LYS 6 2HZ LYS 6 9.233 -8.727 -4.940 54 3HZ LYS 6 3HZ LYS 6 8.661 -7.622 -3.787 55 H LEU 7 H LEU 7 4.879 -9.825 0.056 56 HA LEU 7 HA LEU 7 2.281 -11.142 0.112 57 1HB LEU 7 2HB LEU 7 3.682 -9.152 1.751 58 2HB LEU 7 1HB LEU 7 1.983 -8.804 1.505 59 HG LEU 7 HG LEU 7 2.028 -10.001 3.502 60 1HD1 LEU 7 1HD1 LEU 7 0.431 -10.906 1.783 61 2HD1 LEU 7 2HD1 LEU 7 1.592 -12.201 1.491 62 3HD1 LEU 7 3HD1 LEU 7 0.855 -12.020 3.083 63 1HD2 LEU 7 1HD2 LEU 7 4.472 -10.902 2.700 64 2HD2 LEU 7 2HD2 LEU 7 3.605 -11.452 4.135 65 3HD2 LEU 7 3HD2 LEU 7 3.501 -12.375 2.635 66 H TYR 8 H TYR 8 0.456 -9.221 0.167 67 HA TYR 8 HA TYR 8 0.432 -8.342 -2.556 68 1HB TYR 8 2HB TYR 8 -1.561 -8.343 -0.292 69 2HB TYR 8 1HB TYR 8 -1.909 -7.703 -1.887 70 HD1 TYR 8 1HD TYR 8 -2.159 -9.182 -3.810 71 HD2 TYR 8 2HD TYR 8 -1.274 -10.722 0.054 72 HE1 TYR 8 1HE TYR 8 -2.696 -11.448 -4.597 73 HE2 TYR 8 2HE TYR 8 -1.810 -12.991 -0.719 74 HH TYR 8 HH TYR 8 -2.096 -13.803 -3.969 75 H LEU 9 H LEU 9 1.771 -6.615 -2.771 76 HA LEU 9 HA LEU 9 1.885 -4.511 -0.851 77 1HB LEU 9 2HB LEU 9 3.782 -5.304 -2.287 78 2HB LEU 9 1HB LEU 9 2.994 -4.548 -3.658 79 HG LEU 9 HG LEU 9 3.213 -2.350 -2.557 80 1HD1 LEU 9 1HD1 LEU 9 3.219 -3.158 -0.229 81 2HD1 LEU 9 2HD1 LEU 9 4.825 -3.836 -0.491 82 3HD1 LEU 9 3HD1 LEU 9 4.580 -2.093 -0.580 83 1HD2 LEU 9 1HD2 LEU 9 5.774 -3.912 -2.841 84 2HD2 LEU 9 2HD2 LEU 9 4.913 -3.063 -4.124 85 3HD2 LEU 9 3HD2 LEU 9 5.652 -2.153 -2.805 86 H CYS 10 H CYS 10 0.819 -2.646 -0.786 87 HA CYS 10 HA CYS 10 -1.214 -2.005 -2.693 88 1HB CYS 10 2HB CYS 10 -1.877 -1.343 -0.558 89 2HB CYS 10 1HB CYS 10 -0.256 -0.849 -0.097 90 H GLU 11 H GLU 11 -1.123 -0.394 -4.110 91 HA GLU 11 HA GLU 11 1.550 0.476 -4.883 92 1HB GLU 11 2HB GLU 11 -1.059 0.412 -6.405 93 2HB GLU 11 1HB GLU 11 0.445 1.046 -7.061 94 1HG GLU 11 2HG GLU 11 1.475 -1.075 -7.018 95 2HG GLU 11 1HG GLU 11 0.188 -1.760 -6.027 96 H PHE 12 H PHE 12 -0.734 1.701 -2.982 97 HA PHE 12 HA PHE 12 -0.494 4.443 -4.033 98 1HB PHE 12 2HB PHE 12 -2.409 3.491 -1.904 99 2HB PHE 12 1HB PHE 12 -2.455 5.011 -2.790 100 HD1 PHE 12 1HD PHE 12 -3.258 1.462 -2.864 101 HD2 PHE 12 2HD PHE 12 -3.204 5.074 -5.118 102 HE1 PHE 12 1HE PHE 12 -4.761 0.442 -4.523 103 HE2 PHE 12 2HE PHE 12 -4.710 4.060 -6.781 104 HZ PHE 12 HZ PHE 12 -5.492 1.745 -6.482 105 H CYS 13 H CYS 13 -0.260 2.561 -1.006 106 HA CYS 13 HA CYS 13 1.525 4.685 -0.011 107 1HB CYS 13 2HB CYS 13 0.819 4.294 2.251 108 2HB CYS 13 1HB CYS 13 -0.619 4.560 1.272 109 H LEU 14 H LEU 14 1.256 1.552 -1.016 110 HA LEU 14 HA LEU 14 2.655 -0.204 -1.129 111 1HB LEU 14 2HB LEU 14 4.694 1.784 -0.140 112 2HB LEU 14 1HB LEU 14 5.061 0.213 -0.825 113 HG LEU 14 HG LEU 14 3.415 2.000 -2.514 114 1HD1 LEU 14 1HD1 LEU 14 5.251 3.357 -3.234 115 2HD1 LEU 14 2HD1 LEU 14 5.083 3.533 -1.488 116 3HD1 LEU 14 3HD1 LEU 14 6.363 2.517 -2.149 117 1HD2 LEU 14 1HD2 LEU 14 4.346 0.822 -4.218 118 2HD2 LEU 14 2HD2 LEU 14 5.900 0.647 -3.403 119 3HD2 LEU 14 3HD2 LEU 14 4.537 -0.367 -2.931 120 H LYS 15 H LYS 15 1.307 -1.024 0.634 121 HA LYS 15 HA LYS 15 3.023 -1.742 2.912 122 1HB LYS 15 2HB LYS 15 0.007 -1.525 3.001 123 2HB LYS 15 1HB LYS 15 1.054 -2.009 4.325 124 1HG LYS 15 2HG LYS 15 0.899 0.713 3.051 125 2HG LYS 15 1HG LYS 15 0.318 0.252 4.652 126 1HD LYS 15 2HD LYS 15 2.410 0.226 5.556 127 2HD LYS 15 1HD LYS 15 3.177 -0.250 4.039 128 1HE LYS 15 2HE LYS 15 3.493 2.175 5.011 129 2HE LYS 15 1HE LYS 15 3.321 1.909 3.276 130 1HZ LYS 15 1HZ LYS 15 1.101 2.642 5.107 131 2HZ LYS 15 2HZ LYS 15 1.000 2.482 3.418 132 3HZ LYS 15 3HZ LYS 15 1.925 3.732 4.100 133 H TYR 16 H TYR 16 2.683 -3.973 3.652 134 HA TYR 16 HA TYR 16 1.925 -5.654 1.392 135 1HB TYR 16 2HB TYR 16 3.600 -6.102 3.842 136 2HB TYR 16 1HB TYR 16 3.034 -7.453 2.859 137 HD1 TYR 16 1HD TYR 16 3.464 -7.142 0.252 138 HD2 TYR 16 2HD TYR 16 5.648 -5.192 3.333 139 HE1 TYR 16 1HE TYR 16 5.326 -6.778 -1.311 140 HE2 TYR 16 2HE TYR 16 7.524 -4.833 1.783 141 HH TYR 16 HH TYR 16 7.933 -4.675 -0.592 142 H MET 17 H MET 17 -0.124 -6.180 1.351 143 HA MET 17 HA MET 17 -1.614 -6.676 3.803 144 1HB MET 17 2HB MET 17 -2.640 -7.023 0.985 145 2HB MET 17 1HB MET 17 -3.566 -6.729 2.446 146 1HG MET 17 2HG MET 17 -1.832 -4.797 0.938 147 2HG MET 17 1HG MET 17 -3.574 -4.721 1.204 148 1HE MET 17 1HE MET 17 -4.352 -5.168 3.674 149 2HE MET 17 2HE MET 17 -3.754 -4.216 5.032 150 3HE MET 17 3HE MET 17 -4.588 -3.421 3.694 151 H LYS 18 H LYS 18 -2.579 -8.674 4.314 152 HA LYS 18 HA LYS 18 -0.916 -10.898 3.587 153 1HB LYS 18 2HB LYS 18 -3.400 -10.947 5.306 154 2HB LYS 18 1HB LYS 18 -2.108 -12.138 5.275 155 1HG LYS 18 2HG LYS 18 -1.447 -9.319 5.967 156 2HG LYS 18 1HG LYS 18 -2.243 -10.334 7.170 157 1HD LYS 18 2HD LYS 18 -0.292 -11.273 7.666 158 2HD LYS 18 1HD LYS 18 -0.134 -11.835 6.001 159 1HE LYS 18 2HE LYS 18 1.118 -9.987 5.361 160 2HE LYS 18 1HE LYS 18 0.548 -9.010 6.714 161 1HZ LYS 18 1HZ LYS 18 1.974 -10.068 8.184 162 2HZ LYS 18 2HZ LYS 18 2.921 -9.928 6.782 163 3HZ LYS 18 3HZ LYS 18 2.199 -11.413 7.176 164 H SER 19 H SER 19 -4.246 -9.946 2.950 165 HA SER 19 HA SER 19 -4.463 -12.250 1.131 166 1HB SER 19 2HB SER 19 -6.998 -11.050 1.964 167 2HB SER 19 1HB SER 19 -6.504 -12.741 1.956 168 HG SER 19 HG SER 19 -5.734 -12.558 3.963 169 H ARG 20 H ARG 20 -5.536 -11.942 -0.848 170 HA ARG 20 HA ARG 20 -5.111 -9.437 -2.119 171 1HB ARG 20 2HB ARG 20 -5.207 -11.832 -3.117 172 2HB ARG 20 1HB ARG 20 -6.947 -11.578 -3.155 173 1HG ARG 20 2HG ARG 20 -6.179 -9.330 -4.358 174 2HG ARG 20 1HG ARG 20 -4.811 -10.363 -4.783 175 1HD ARG 20 2HD ARG 20 -6.029 -11.582 -6.214 176 2HD ARG 20 1HD ARG 20 -7.401 -11.665 -5.109 177 HE ARG 20 HE ARG 20 -6.882 -9.549 -7.081 178 1HH1 ARG 20 2HH1 ARG 20 -9.002 -11.076 -4.746 179 2HH1 ARG 20 1HH1 ARG 20 -10.405 -10.167 -5.234 180 1HH2 ARG 20 2HH2 ARG 20 -8.722 -8.350 -7.726 181 2HH2 ARG 20 1HH2 ARG 20 -10.241 -8.595 -6.913 182 H THR 21 H THR 21 -7.895 -11.078 -0.740 183 HA THR 21 HA THR 21 -9.937 -9.361 -1.588 184 HB THR 21 HB THR 21 -10.732 -10.174 0.921 185 HG1 THR 21 1HG THR 21 -9.834 -12.282 1.165 186 1HG2 THR 21 1HG2 THR 21 -11.893 -10.533 -1.245 187 2HG2 THR 21 2HG2 THR 21 -11.886 -11.976 -0.226 188 3HG2 THR 21 3HG2 THR 21 -10.773 -11.851 -1.590 189 H ILE 22 H ILE 22 -7.949 -9.318 1.353 190 HA ILE 22 HA ILE 22 -9.092 -6.987 2.462 191 HB ILE 22 HB ILE 22 -6.646 -8.601 2.992 192 1HG1 ILE 22 2HG1 ILE 22 -8.539 -7.529 5.043 193 1HG2 ILE 22 1HG2 ILE 22 -5.997 -6.980 4.789 194 2HG2 ILE 22 2HG2 ILE 22 -5.675 -6.439 3.143 195 3HG2 ILE 22 3HG2 ILE 22 -7.065 -5.805 4.022 196 1HD1 ILE 22 1HD1 ILE 22 -7.748 -10.370 4.879 197 2HD1 ILE 22 2HD1 ILE 22 -6.514 -9.199 5.344 198 3HD1 ILE 22 3HD1 ILE 22 -7.998 -9.334 6.285 199 H LEU 23 H LEU 23 -6.413 -7.550 0.254 200 HA LEU 23 HA LEU 23 -5.354 -4.932 0.253 201 1HB LEU 23 2HB LEU 23 -4.023 -6.659 -0.675 202 2HB LEU 23 1HB LEU 23 -5.301 -7.169 -1.759 203 HG LEU 23 HG LEU 23 -5.038 -4.931 -2.928 204 1HD1 LEU 23 1HD1 LEU 23 -3.828 -3.823 -1.078 205 2HD1 LEU 23 2HD1 LEU 23 -2.442 -4.864 -1.401 206 3HD1 LEU 23 3HD1 LEU 23 -2.986 -3.715 -2.624 207 1HD2 LEU 23 1HD2 LEU 23 -2.444 -6.272 -3.235 208 2HD2 LEU 23 2HD2 LEU 23 -3.859 -7.323 -3.352 209 3HD2 LEU 23 3HD2 LEU 23 -3.704 -5.930 -4.426 210 H GLN 24 H GLN 24 -7.915 -6.493 -1.607 211 HA GLN 24 HA GLN 24 -8.451 -4.367 -3.381 212 1HB GLN 24 2HB GLN 24 -10.231 -6.559 -2.304 213 2HB GLN 24 1HB GLN 24 -10.733 -5.428 -3.553 214 1HG GLN 24 2HG GLN 24 -8.577 -7.509 -3.701 215 2HG GLN 24 1HG GLN 24 -10.056 -7.401 -4.651 216 1HE2 GLN 24 1HE2 GLN 24 -10.129 -4.931 -5.587 217 2HE2 GLN 24 2HE2 GLN 24 -8.728 -4.558 -6.541 218 H GLN 25 H GLN 25 -9.734 -5.166 -0.180 219 HA GLN 25 HA GLN 25 -11.572 -3.021 0.006 220 1HB GLN 25 2HB GLN 25 -10.146 -4.713 2.056 221 2HB GLN 25 1HB GLN 25 -11.239 -3.418 2.526 222 1HG GLN 25 2HG GLN 25 -13.052 -4.616 2.048 223 2HG GLN 25 1HG GLN 25 -12.366 -5.241 0.550 224 1HE2 GLN 25 1HE2 GLN 25 -12.991 -7.316 0.837 225 2HE2 GLN 25 2HE2 GLN 25 -12.363 -8.354 2.080 226 H HIS 26 H HIS 26 -8.183 -3.386 0.888 227 HA HIS 26 HA HIS 26 -7.835 -0.866 2.117 228 1HB HIS 26 2HB HIS 26 -6.227 -2.657 2.460 229 2HB HIS 26 1HB HIS 26 -5.846 -2.695 0.743 230 HD1 HIS 26 1HD HIS 26 -4.812 -1.116 3.909 231 HD2 HIS 26 2HD HIS 26 -4.486 -0.304 -0.177 232 HE1 HIS 26 1HE HIS 26 -3.014 0.672 3.658 233 H MET 27 H MET 27 -7.642 -1.963 -1.212 234 HA MET 27 HA MET 27 -6.431 0.348 -2.280 235 1HB MET 27 2HB MET 27 -7.968 -1.943 -3.437 236 2HB MET 27 1HB MET 27 -7.583 -0.555 -4.448 237 1HG MET 27 2HG MET 27 -5.177 -0.887 -3.695 238 2HG MET 27 1HG MET 27 -5.707 -2.458 -3.097 239 1HE MET 27 1HE MET 27 -3.952 -3.957 -5.717 240 2HE MET 27 2HE MET 27 -3.406 -2.315 -6.055 241 3HE MET 27 3HE MET 27 -3.650 -2.838 -4.389 242 H LYS 28 H LYS 28 -9.614 -0.259 -1.218 243 HA LYS 28 HA LYS 28 -10.844 1.866 -2.745 244 1HB LYS 28 2HB LYS 28 -11.705 -0.088 -0.700 245 2HB LYS 28 1HB LYS 28 -12.526 1.467 -0.643 246 1HG LYS 28 2HG LYS 28 -13.909 0.436 -2.093 247 2HG LYS 28 1HG LYS 28 -12.712 0.985 -3.266 248 1HD LYS 28 2HD LYS 28 -11.553 -1.283 -2.752 249 2HD LYS 28 1HD LYS 28 -13.134 -1.749 -2.124 250 1HE LYS 28 2HE LYS 28 -12.746 -0.590 -4.872 251 2HE LYS 28 1HE LYS 28 -12.668 -2.321 -4.548 252 1HZ LYS 28 1HZ LYS 28 -14.996 -0.524 -4.143 253 2HZ LYS 28 2HZ LYS 28 -14.940 -2.125 -3.587 254 3HZ LYS 28 3HZ LYS 28 -14.861 -1.801 -5.253 255 H LYS 29 H LYS 29 -9.601 1.328 0.500 256 HA LYS 29 HA LYS 29 -10.174 3.872 1.566 257 1HB LYS 29 2HB LYS 29 -9.702 2.148 3.111 258 2HB LYS 29 1HB LYS 29 -8.216 1.704 2.284 259 1HG LYS 29 2HG LYS 29 -8.224 4.447 3.296 260 2HG LYS 29 1HG LYS 29 -8.382 3.214 4.548 261 1HD LYS 29 2HD LYS 29 -6.307 2.333 4.138 262 2HD LYS 29 1HD LYS 29 -6.312 2.827 2.442 263 1HE LYS 29 2HE LYS 29 -6.413 5.157 4.081 264 2HE LYS 29 1HE LYS 29 -5.105 4.124 4.656 265 1HZ LYS 29 1HZ LYS 29 -3.875 4.657 2.906 266 2HZ LYS 29 2HZ LYS 29 -5.030 5.838 2.508 267 3HZ LYS 29 3HZ LYS 29 -5.116 4.294 1.813 268 H CYS 30 H CYS 30 -7.318 2.532 0.001 269 HA CYS 30 HA CYS 30 -5.854 4.997 0.193 270 1HB CYS 30 2HB CYS 30 -5.274 2.263 -0.221 271 2HB CYS 30 1HB CYS 30 -4.724 3.113 -1.654 272 H GLY 31 H GLY 31 -8.321 4.007 -1.710 273 1HA GLY 31 1HA GLY 31 -7.370 5.489 -4.069 274 2HA GLY 31 2HA GLY 31 -8.679 4.305 -4.079 275 H TRP 32 H TRP 32 -8.742 6.290 -1.357 276 HA TRP 32 HA TRP 32 -11.090 7.673 -2.353 277 1HB TRP 32 2HB TRP 32 -9.808 7.379 0.352 278 2HB TRP 32 1HB TRP 32 -11.032 8.612 0.072 279 HD1 TRP 32 HD TRP 32 -11.067 5.646 1.782 280 HE1 TRP 32 1HE TRP 32 -13.205 4.238 1.487 281 HE3 TRP 32 3HE TRP 32 -12.890 7.819 -2.475 282 HZ2 TRP 32 2HZ TRP 32 -15.369 4.079 -0.296 283 HZ3 TRP 32 3HZ TRP 32 -15.010 6.985 -3.402 284 HH2 TRP 32 HH TRP 32 -16.222 5.153 -2.335 285 H PHE 33 H PHE 33 -9.378 8.662 -3.915 286 HA PHE 33 HA PHE 33 -8.763 11.313 -2.860 287 1HB PHE 33 2HB PHE 33 -6.542 11.346 -3.802 288 2HB PHE 33 1HB PHE 33 -6.678 9.949 -2.734 289 HD1 PHE 33 1HD PHE 33 -7.017 7.673 -3.766 290 HD2 PHE 33 2HD PHE 33 -5.943 11.099 -6.047 291 HE1 PHE 33 1HE PHE 33 -6.213 6.213 -5.575 292 HE2 PHE 33 2HE PHE 33 -5.146 9.645 -7.862 293 HZ PHE 33 HZ PHE 33 -5.280 7.198 -7.631 Start of MODEL 2 1 1H GLY 1 1H GLY 1 16.085 -9.568 4.063 2 2H GLY 1 2H GLY 1 17.183 -10.844 4.269 3 3H GLY 1 3H GLY 1 15.530 -11.171 4.105 4 1HA GLY 1 2HA GLY 1 17.445 -11.065 2.105 5 2HA GLY 1 1HA GLY 1 15.712 -11.304 1.925 6 H SER 2 H SER 2 14.496 -9.707 1.057 7 HA SER 2 HA SER 2 15.835 -7.498 -0.172 8 1HB SER 2 2HB SER 2 13.033 -7.114 -0.295 9 2HB SER 2 1HB SER 2 14.086 -7.763 -1.553 10 HG SER 2 HG SER 2 13.150 -9.614 -1.246 11 H ARG 3 H ARG 3 13.158 -7.679 2.154 12 HA ARG 3 HA ARG 3 14.260 -5.802 3.945 13 1HB ARG 3 2HB ARG 3 13.318 -4.451 1.836 14 2HB ARG 3 1HB ARG 3 11.807 -4.642 2.712 15 1HG ARG 3 2HG ARG 3 12.629 -2.578 3.406 16 2HG ARG 3 1HG ARG 3 13.050 -3.679 4.721 17 1HD ARG 3 2HD ARG 3 14.886 -2.127 4.085 18 2HD ARG 3 1HD ARG 3 15.312 -3.833 3.958 19 HE ARG 3 HE ARG 3 14.828 -3.544 1.499 20 1HH1 ARG 3 2HH1 ARG 3 15.994 -0.939 3.526 21 2HH1 ARG 3 1HH1 ARG 3 16.676 -0.040 2.200 22 1HH2 ARG 3 2HH2 ARG 3 15.754 -2.410 -0.240 23 2HH2 ARG 3 1HH2 ARG 3 16.538 -0.878 0.050 24 H LEU 4 H LEU 4 10.903 -6.031 2.911 25 HA LEU 4 HA LEU 4 10.284 -7.651 5.295 26 1HB LEU 4 2HB LEU 4 9.283 -5.134 4.644 27 2HB LEU 4 1HB LEU 4 8.032 -6.230 4.093 28 HG LEU 4 HG LEU 4 8.721 -7.110 6.667 29 1HD1 LEU 4 1HD1 LEU 4 8.168 -4.971 7.932 30 2HD1 LEU 4 2HD1 LEU 4 9.803 -5.130 7.293 31 3HD1 LEU 4 3HD1 LEU 4 8.626 -4.117 6.459 32 1HD2 LEU 4 1HD2 LEU 4 6.387 -5.577 5.546 33 2HD2 LEU 4 2HD2 LEU 4 6.524 -7.314 5.819 34 3HD2 LEU 4 3HD2 LEU 4 6.422 -6.211 7.190 35 HA PRO 5 HA PRO 5 8.851 -10.826 2.562 36 1HB PRO 5 2HB PRO 5 6.347 -11.385 3.626 37 2HB PRO 5 1HB PRO 5 7.870 -12.076 4.191 38 1HG PRO 5 2HG PRO 5 6.306 -9.778 5.285 39 2HG PRO 5 1HG PRO 5 7.193 -11.047 6.150 40 1HD PRO 5 2HD PRO 5 8.209 -8.587 5.891 41 2HD PRO 5 1HD PRO 5 9.251 -10.021 5.799 42 H LYS 6 H LYS 6 8.016 -10.703 0.590 43 HA LYS 6 HA LYS 6 6.495 -8.392 -0.133 44 1HB LYS 6 2HB LYS 6 7.932 -10.549 -1.539 45 2HB LYS 6 1HB LYS 6 6.561 -9.870 -2.407 46 1HG LYS 6 2HG LYS 6 7.510 -7.646 -2.216 47 2HG LYS 6 1HG LYS 6 8.862 -8.288 -1.278 48 1HD LYS 6 2HD LYS 6 9.834 -9.280 -3.109 49 2HD LYS 6 1HD LYS 6 8.298 -9.460 -3.958 50 1HE LYS 6 2HE LYS 6 8.239 -7.106 -4.450 51 2HE LYS 6 1HE LYS 6 9.684 -6.829 -3.478 52 1HZ LYS 6 1HZ LYS 6 9.459 -8.200 -6.089 53 2HZ LYS 6 2HZ LYS 6 10.809 -8.431 -5.088 54 3HZ LYS 6 3HZ LYS 6 10.436 -6.879 -5.664 55 H LEU 7 H LEU 7 4.571 -8.701 0.991 56 HA LEU 7 HA LEU 7 2.830 -10.922 0.374 57 1HB LEU 7 2HB LEU 7 2.691 -8.485 2.090 58 2HB LEU 7 1HB LEU 7 1.192 -9.236 1.614 59 HG LEU 7 HG LEU 7 1.996 -9.892 3.863 60 1HD1 LEU 7 1HD1 LEU 7 0.545 -11.311 2.294 61 2HD1 LEU 7 2HD1 LEU 7 1.991 -12.296 2.068 62 3HD1 LEU 7 3HD1 LEU 7 1.294 -12.108 3.677 63 1HD2 LEU 7 1HD2 LEU 7 3.900 -11.862 3.034 64 2HD2 LEU 7 2HD2 LEU 7 4.441 -10.258 2.539 65 3HD2 LEU 7 3HD2 LEU 7 4.066 -10.579 4.232 66 H TYR 8 H TYR 8 0.479 -9.044 0.447 67 HA TYR 8 HA TYR 8 0.403 -8.420 -2.405 68 1HB TYR 8 2HB TYR 8 -1.796 -8.271 -0.320 69 2HB TYR 8 1HB TYR 8 -2.001 -8.067 -2.062 70 HD1 TYR 8 1HD TYR 8 -2.389 -9.923 -3.439 71 HD2 TYR 8 2HD TYR 8 -0.951 -10.530 0.516 72 HE1 TYR 8 1HE TYR 8 -2.716 -12.347 -3.693 73 HE2 TYR 8 2HE TYR 8 -1.269 -12.946 0.275 74 HH TYR 8 HH TYR 8 -2.568 -14.514 -1.046 75 H LEU 9 H LEU 9 1.810 -6.668 -2.398 76 HA LEU 9 HA LEU 9 1.349 -4.403 -0.681 77 1HB LEU 9 2HB LEU 9 3.609 -5.060 -1.273 78 2HB LEU 9 1HB LEU 9 3.249 -4.867 -2.977 79 HG LEU 9 HG LEU 9 2.687 -2.367 -2.045 80 1HD1 LEU 9 1HD1 LEU 9 5.090 -2.201 -0.732 81 2HD1 LEU 9 2HD1 LEU 9 3.499 -2.184 0.032 82 3HD1 LEU 9 3HD1 LEU 9 4.403 -3.694 -0.091 83 1HD2 LEU 9 1HD2 LEU 9 5.272 -3.541 -3.056 84 2HD2 LEU 9 2HD2 LEU 9 3.992 -2.769 -3.996 85 3HD2 LEU 9 3HD2 LEU 9 4.982 -1.806 -2.898 86 H CYS 10 H CYS 10 0.320 -2.514 -1.195 87 HA CYS 10 HA CYS 10 -1.320 -2.424 -3.479 88 1HB CYS 10 2HB CYS 10 -1.150 0.129 -2.322 89 2HB CYS 10 1HB CYS 10 -2.391 -1.086 -2.069 90 H GLU 11 H GLU 11 -1.152 0.353 -3.949 91 HA GLU 11 HA GLU 11 1.418 0.694 -5.316 92 1HB GLU 11 2HB GLU 11 -1.309 0.952 -6.591 93 2HB GLU 11 1HB GLU 11 0.182 1.523 -7.329 94 1HG GLU 11 2HG GLU 11 -0.002 -1.322 -6.471 95 2HG GLU 11 1HG GLU 11 -0.828 -0.814 -7.944 96 H PHE 12 H PHE 12 -0.772 1.917 -3.214 97 HA PHE 12 HA PHE 12 -0.224 4.695 -4.001 98 1HB PHE 12 2HB PHE 12 -2.453 3.903 -2.145 99 2HB PHE 12 1HB PHE 12 -2.285 5.368 -3.107 100 HD1 PHE 12 1HD PHE 12 -2.648 5.271 -5.564 101 HD2 PHE 12 2HD PHE 12 -3.474 1.956 -3.029 102 HE1 PHE 12 1HE PHE 12 -4.027 4.263 -7.334 103 HE2 PHE 12 2HE PHE 12 -4.852 0.938 -4.795 104 HZ PHE 12 HZ PHE 12 -5.129 2.094 -6.952 105 H CYS 13 H CYS 13 -1.003 2.919 -0.979 106 HA CYS 13 HA CYS 13 0.853 4.675 0.444 107 1HB CYS 13 2HB CYS 13 -0.246 4.151 2.383 108 2HB CYS 13 1HB CYS 13 -1.546 3.817 1.249 109 H LEU 14 H LEU 14 0.660 1.682 -1.029 110 HA LEU 14 HA LEU 14 2.027 -0.061 -1.303 111 1HB LEU 14 2HB LEU 14 4.174 1.808 -0.306 112 2HB LEU 14 1HB LEU 14 4.414 0.356 -1.258 113 HG LEU 14 HG LEU 14 2.681 2.479 -2.411 114 1HD1 LEU 14 1HD1 LEU 14 4.228 4.059 -2.534 115 2HD1 LEU 14 2HD1 LEU 14 5.216 3.115 -1.421 116 3HD1 LEU 14 3HD1 LEU 14 5.412 2.914 -3.160 117 1HD2 LEU 14 1HD2 LEU 14 2.852 1.017 -4.079 118 2HD2 LEU 14 2HD2 LEU 14 4.526 1.542 -4.255 119 3HD2 LEU 14 3HD2 LEU 14 4.143 0.135 -3.265 120 H LYS 15 H LYS 15 0.843 -1.027 0.472 121 HA LYS 15 HA LYS 15 2.691 -1.685 2.685 122 1HB LYS 15 2HB LYS 15 0.277 -0.310 2.965 123 2HB LYS 15 1HB LYS 15 -0.102 -1.961 3.430 124 1HG LYS 15 2HG LYS 15 0.551 -0.513 5.324 125 2HG LYS 15 1HG LYS 15 1.578 -1.935 5.135 126 1HD LYS 15 2HD LYS 15 3.052 -0.152 5.575 127 2HD LYS 15 1HD LYS 15 3.165 -0.430 3.838 128 1HE LYS 15 2HE LYS 15 1.263 1.393 3.767 129 2HE LYS 15 1HE LYS 15 1.949 1.844 5.328 130 1HZ LYS 15 1HZ LYS 15 3.101 2.056 2.655 131 2HZ LYS 15 2HZ LYS 15 4.164 1.673 3.919 132 3HZ LYS 15 3HZ LYS 15 3.250 3.098 3.984 133 H TYR 16 H TYR 16 2.732 -3.834 3.322 134 HA TYR 16 HA TYR 16 1.843 -5.687 1.320 135 1HB TYR 16 2HB TYR 16 3.376 -6.003 3.903 136 2HB TYR 16 1HB TYR 16 2.976 -7.359 2.853 137 HD1 TYR 16 1HD TYR 16 3.517 -6.623 0.221 138 HD2 TYR 16 2HD TYR 16 5.569 -5.356 3.720 139 HE1 TYR 16 1HE TYR 16 5.529 -6.179 -1.130 140 HE2 TYR 16 2HE TYR 16 7.589 -4.917 2.388 141 HH TYR 16 HH TYR 16 7.574 -5.184 -1.136 142 H MET 17 H MET 17 -0.214 -6.305 1.294 143 HA MET 17 HA MET 17 -1.690 -6.621 3.795 144 1HB MET 17 2HB MET 17 -2.567 -6.847 0.909 145 2HB MET 17 1HB MET 17 -3.632 -7.090 2.285 146 1HG MET 17 2HG MET 17 -2.140 -4.547 1.689 147 2HG MET 17 1HG MET 17 -3.832 -4.852 1.294 148 1HE MET 17 1HE MET 17 -1.260 -3.756 3.663 149 2HE MET 17 2HE MET 17 -2.397 -2.428 3.431 150 3HE MET 17 3HE MET 17 -2.181 -3.135 5.032 151 H LYS 18 H LYS 18 -2.673 -8.558 4.424 152 HA LYS 18 HA LYS 18 -1.022 -10.830 3.899 153 1HB LYS 18 2HB LYS 18 -2.880 -9.999 5.908 154 2HB LYS 18 1HB LYS 18 -3.310 -11.619 5.376 155 1HG LYS 18 2HG LYS 18 -1.813 -11.758 7.249 156 2HG LYS 18 1HG LYS 18 -0.994 -12.346 5.799 157 1HD LYS 18 2HD LYS 18 -0.132 -9.910 5.601 158 2HD LYS 18 1HD LYS 18 -0.580 -9.789 7.304 159 1HE LYS 18 2HE LYS 18 0.781 -12.018 7.498 160 2HE LYS 18 1HE LYS 18 1.527 -11.452 6.003 161 1HZ LYS 18 1HZ LYS 18 2.467 -10.803 8.360 162 2HZ LYS 18 2HZ LYS 18 1.328 -9.553 8.222 163 3HZ LYS 18 3HZ LYS 18 2.540 -9.729 7.048 164 H SER 19 H SER 19 -4.112 -9.776 2.739 165 HA SER 19 HA SER 19 -4.303 -12.239 1.158 166 1HB SER 19 2HB SER 19 -6.770 -10.949 2.298 167 2HB SER 19 1HB SER 19 -6.576 -12.580 1.650 168 HG SER 19 HG SER 19 -5.321 -13.095 3.468 169 H ARG 20 H ARG 20 -5.422 -12.046 -0.819 170 HA ARG 20 HA ARG 20 -5.071 -9.595 -2.197 171 1HB ARG 20 2HB ARG 20 -5.517 -12.205 -2.930 172 2HB ARG 20 1HB ARG 20 -7.053 -11.447 -3.325 173 1HG ARG 20 2HG ARG 20 -6.109 -10.051 -4.909 174 2HG ARG 20 1HG ARG 20 -4.485 -10.211 -4.232 175 1HD ARG 20 2HD ARG 20 -4.831 -12.739 -4.879 176 2HD ARG 20 1HD ARG 20 -6.004 -12.060 -6.010 177 HE ARG 20 HE ARG 20 -3.114 -11.444 -5.964 178 1HH1 ARG 20 2HH1 ARG 20 -6.189 -11.636 -7.652 179 2HH1 ARG 20 1HH1 ARG 20 -5.512 -11.169 -9.187 180 1HH2 ARG 20 2HH2 ARG 20 -2.230 -10.838 -7.971 181 2HH2 ARG 20 1HH2 ARG 20 -3.254 -10.728 -9.371 182 H THR 21 H THR 21 -7.873 -11.200 -0.780 183 HA THR 21 HA THR 21 -9.874 -9.410 -1.580 184 HB THR 21 HB THR 21 -10.717 -10.310 0.869 185 HG1 THR 21 1HG THR 21 -9.741 -12.218 1.316 186 1HG2 THR 21 1HG2 THR 21 -10.770 -11.626 -1.840 187 2HG2 THR 21 2HG2 THR 21 -12.018 -10.628 -1.095 188 3HG2 THR 21 3HG2 THR 21 -11.681 -12.239 -0.461 189 H ILE 22 H ILE 22 -7.651 -9.378 1.164 190 HA ILE 22 HA ILE 22 -8.788 -7.177 2.535 191 HB ILE 22 HB ILE 22 -6.004 -8.346 2.545 192 1HG1 ILE 22 2HG1 ILE 22 -8.174 -8.342 4.654 193 1HG2 ILE 22 1HG2 ILE 22 -5.232 -6.521 3.532 194 2HG2 ILE 22 2HG2 ILE 22 -6.821 -5.766 3.437 195 3HG2 ILE 22 3HG2 ILE 22 -6.395 -6.752 4.836 196 1HD1 ILE 22 1HD1 ILE 22 -5.511 -8.777 5.037 197 2HD1 ILE 22 2HD1 ILE 22 -6.813 -9.418 6.041 198 3HD1 ILE 22 3HD1 ILE 22 -6.126 -10.405 4.751 199 H LEU 23 H LEU 23 -6.078 -7.467 0.241 200 HA LEU 23 HA LEU 23 -5.454 -4.738 0.099 201 1HB LEU 23 2HB LEU 23 -4.004 -6.531 -0.755 202 2HB LEU 23 1HB LEU 23 -5.150 -6.842 -2.045 203 HG LEU 23 HG LEU 23 -4.745 -4.515 -2.884 204 1HD1 LEU 23 1HD1 LEU 23 -2.204 -4.192 -1.538 205 2HD1 LEU 23 2HD1 LEU 23 -3.517 -3.038 -1.766 206 3HD1 LEU 23 3HD1 LEU 23 -3.556 -4.159 -0.407 207 1HD2 LEU 23 1HD2 LEU 23 -2.918 -5.129 -4.132 208 2HD2 LEU 23 2HD2 LEU 23 -2.101 -5.891 -2.765 209 3HD2 LEU 23 3HD2 LEU 23 -3.464 -6.700 -3.543 210 H GLN 24 H GLN 24 -7.833 -6.670 -1.632 211 HA GLN 24 HA GLN 24 -8.537 -4.831 -3.614 212 1HB GLN 24 2HB GLN 24 -9.477 -7.332 -2.665 213 2HB GLN 24 1HB GLN 24 -10.864 -6.254 -2.743 214 1HG GLN 24 2HG GLN 24 -9.102 -6.179 -5.086 215 2HG GLN 24 1HG GLN 24 -9.929 -7.710 -4.815 216 1HE2 GLN 24 1HE2 GLN 24 -12.132 -7.823 -5.021 217 2HE2 GLN 24 2HE2 GLN 24 -13.076 -6.546 -5.719 218 H GLN 25 H GLN 25 -9.778 -5.241 -0.324 219 HA GLN 25 HA GLN 25 -11.657 -3.078 -0.576 220 1HB GLN 25 2HB GLN 25 -10.693 -4.719 1.768 221 2HB GLN 25 1HB GLN 25 -11.848 -3.405 1.942 222 1HG GLN 25 2HG GLN 25 -13.519 -4.550 0.860 223 2HG GLN 25 1HG GLN 25 -12.389 -5.585 -0.015 224 1HE2 GLN 25 1HE2 GLN 25 -11.253 -7.207 1.223 225 2HE2 GLN 25 2HE2 GLN 25 -12.031 -7.927 2.593 226 H HIS 26 H HIS 26 -8.528 -3.592 0.983 227 HA HIS 26 HA HIS 26 -8.293 -1.148 2.283 228 1HB HIS 26 2HB HIS 26 -6.731 -2.794 2.901 229 2HB HIS 26 1HB HIS 26 -6.277 -3.123 1.236 230 HD1 HIS 26 1HD HIS 26 -5.461 -0.875 4.128 231 HD2 HIS 26 2HD HIS 26 -4.415 -1.356 0.115 232 HE1 HIS 26 1HE HIS 26 -3.403 0.572 3.729 233 H MET 27 H MET 27 -7.516 -2.029 -1.048 234 HA MET 27 HA MET 27 -6.059 0.234 -1.758 235 1HB MET 27 2HB MET 27 -7.595 -1.821 -3.251 236 2HB MET 27 1HB MET 27 -7.179 -0.347 -4.115 237 1HG MET 27 2HG MET 27 -4.805 -0.717 -3.430 238 2HG MET 27 1HG MET 27 -5.300 -2.290 -2.806 239 1HE MET 27 1HE MET 27 -3.036 -2.644 -4.719 240 2HE MET 27 2HE MET 27 -3.310 -2.360 -6.437 241 3HE MET 27 3HE MET 27 -3.301 -1.003 -5.307 242 H LYS 28 H LYS 28 -9.417 -0.033 -1.135 243 HA LYS 28 HA LYS 28 -10.249 2.236 -2.684 244 1HB LYS 28 2HB LYS 28 -11.468 0.408 -0.719 245 2HB LYS 28 1HB LYS 28 -12.115 2.043 -0.709 246 1HG LYS 28 2HG LYS 28 -13.487 0.861 -2.183 247 2HG LYS 28 1HG LYS 28 -12.392 1.774 -3.223 248 1HD LYS 28 2HD LYS 28 -10.970 -0.481 -2.954 249 2HD LYS 28 1HD LYS 28 -12.594 -1.139 -2.772 250 1HE LYS 28 2HE LYS 28 -13.142 0.217 -4.897 251 2HE LYS 28 1HE LYS 28 -11.394 0.303 -5.109 252 1HZ LYS 28 1HZ LYS 28 -11.249 -2.037 -5.251 253 2HZ LYS 28 2HZ LYS 28 -12.516 -1.574 -6.276 254 3HZ LYS 28 3HZ LYS 28 -12.859 -2.252 -4.756 255 H LYS 29 H LYS 29 -9.072 1.666 0.562 256 HA LYS 29 HA LYS 29 -9.418 4.451 1.330 257 1HB LYS 29 2HB LYS 29 -8.004 2.274 2.871 258 2HB LYS 29 1HB LYS 29 -8.618 3.798 3.496 259 1HG LYS 29 2HG LYS 29 -10.540 2.827 3.993 260 2HG LYS 29 1HG LYS 29 -10.781 2.413 2.294 261 1HD LYS 29 2HD LYS 29 -10.719 0.290 3.031 262 2HD LYS 29 1HD LYS 29 -8.972 0.530 3.058 263 1HE LYS 29 2HE LYS 29 -9.342 -0.273 5.178 264 2HE LYS 29 1HE LYS 29 -9.427 1.467 5.450 265 1HZ LYS 29 1HZ LYS 29 -11.307 -0.320 6.205 266 2HZ LYS 29 2HZ LYS 29 -11.952 0.275 4.755 267 3HZ LYS 29 3HZ LYS 29 -11.568 1.345 6.010 268 H CYS 30 H CYS 30 -6.987 2.239 0.250 269 HA CYS 30 HA CYS 30 -4.660 3.696 0.802 270 1HB CYS 30 2HB CYS 30 -4.951 1.278 -0.063 271 2HB CYS 30 1HB CYS 30 -5.048 2.001 -1.663 272 H GLY 31 H GLY 31 -6.760 3.659 -2.071 273 1HA GLY 31 1HA GLY 31 -5.312 5.809 -3.344 274 2HA GLY 31 2HA GLY 31 -6.810 5.074 -3.906 275 H TRP 32 H TRP 32 -7.504 5.739 -0.834 276 HA TRP 32 HA TRP 32 -8.922 8.170 -1.520 277 1HB TRP 32 2HB TRP 32 -9.321 6.042 0.297 278 2HB TRP 32 1HB TRP 32 -9.154 7.516 1.252 279 HD1 TRP 32 HD TRP 32 -11.070 6.490 -1.964 280 HE1 TRP 32 1HE TRP 32 -13.398 7.578 -1.873 281 HE3 TRP 32 3HE TRP 32 -10.618 8.989 2.476 282 HZ2 TRP 32 2HZ TRP 32 -14.823 9.280 -0.165 283 HZ3 TRP 32 3HZ TRP 32 -12.526 10.331 3.265 284 HH2 TRP 32 HH TRP 32 -14.588 10.471 1.968 285 H PHE 33 H PHE 33 -6.298 7.166 0.607 286 HA PHE 33 HA PHE 33 -5.683 10.008 1.061 287 1HB PHE 33 2HB PHE 33 -5.493 7.709 3.019 288 2HB PHE 33 1HB PHE 33 -4.747 9.284 3.293 289 HD1 PHE 33 1HD PHE 33 -7.633 7.323 3.772 290 HD2 PHE 33 2HD PHE 33 -6.350 11.330 3.144 291 HE1 PHE 33 1HE PHE 33 -9.743 8.143 4.733 292 HE2 PHE 33 2HE PHE 33 -8.456 12.159 4.105 293 HZ PHE 33 HZ PHE 33 -10.155 10.565 4.904 Start of MODEL 3 1 1H GLY 1 1H GLY 1 9.390 -15.645 8.407 2 2H GLY 1 2H GLY 1 9.896 -17.128 9.046 3 3H GLY 1 3H GLY 1 8.257 -16.692 9.112 4 1HA GLY 1 2HA GLY 1 8.108 -18.009 7.307 5 2HA GLY 1 1HA GLY 1 8.614 -16.527 6.501 6 H SER 2 H SER 2 9.058 -19.456 5.926 7 HA SER 2 HA SER 2 11.809 -20.012 6.365 8 1HB SER 2 2HB SER 2 10.319 -21.235 4.078 9 2HB SER 2 1HB SER 2 11.421 -21.990 5.228 10 HG SER 2 HG SER 2 9.753 -21.670 6.831 11 H ARG 3 H ARG 3 10.003 -18.507 3.740 12 HA ARG 3 HA ARG 3 12.570 -17.605 2.622 13 1HB ARG 3 2HB ARG 3 10.201 -18.688 1.090 14 2HB ARG 3 1HB ARG 3 11.458 -17.721 0.333 15 1HG ARG 3 2HG ARG 3 12.019 -20.278 1.810 16 2HG ARG 3 1HG ARG 3 11.686 -20.205 0.080 17 1HD ARG 3 2HD ARG 3 13.961 -20.098 0.029 18 2HD ARG 3 1HD ARG 3 13.592 -18.377 0.148 19 HE ARG 3 HE ARG 3 13.817 -19.184 2.744 20 1HH1 ARG 3 2HH1 ARG 3 15.897 -19.419 -0.065 21 2HH1 ARG 3 1HH1 ARG 3 17.365 -19.373 0.861 22 1HH2 ARG 3 2HH2 ARG 3 15.743 -19.098 3.965 23 2HH2 ARG 3 1HH2 ARG 3 17.278 -19.178 3.148 24 H LEU 4 H LEU 4 11.850 -15.822 0.813 25 HA LEU 4 HA LEU 4 10.641 -13.721 2.337 26 1HB LEU 4 2HB LEU 4 12.394 -13.114 0.838 27 2HB LEU 4 1HB LEU 4 11.610 -13.914 -0.511 28 HG LEU 4 HG LEU 4 9.771 -11.989 0.354 29 1HD1 LEU 4 1HD1 LEU 4 10.825 -10.056 0.849 30 2HD1 LEU 4 2HD1 LEU 4 12.060 -11.152 1.466 31 3HD1 LEU 4 3HD1 LEU 4 12.235 -10.441 -0.138 32 1HD2 LEU 4 1HD2 LEU 4 11.725 -11.850 -1.941 33 2HD2 LEU 4 2HD2 LEU 4 10.200 -12.736 -1.950 34 3HD2 LEU 4 3HD2 LEU 4 10.197 -10.978 -1.806 35 HA PRO 5 HA PRO 5 6.536 -14.845 1.056 36 1HB PRO 5 2HB PRO 5 5.207 -12.937 2.433 37 2HB PRO 5 1HB PRO 5 5.924 -14.347 3.219 38 1HG PRO 5 2HG PRO 5 6.960 -11.549 3.035 39 2HG PRO 5 1HG PRO 5 6.984 -12.665 4.413 40 1HD PRO 5 2HD PRO 5 9.136 -12.205 2.789 41 2HD PRO 5 1HD PRO 5 8.876 -13.719 3.675 42 H LYS 6 H LYS 6 5.289 -14.299 -0.614 43 HA LYS 6 HA LYS 6 5.746 -11.683 -1.881 44 1HB LYS 6 2HB LYS 6 4.340 -14.049 -3.124 45 2HB LYS 6 1HB LYS 6 5.002 -12.638 -3.937 46 1HG LYS 6 2HG LYS 6 6.757 -13.932 -4.384 47 2HG LYS 6 1HG LYS 6 7.203 -13.693 -2.694 48 1HD LYS 6 2HD LYS 6 6.652 -15.797 -2.119 49 2HD LYS 6 1HD LYS 6 5.238 -15.821 -3.171 50 1HE LYS 6 2HE LYS 6 6.492 -16.442 -5.039 51 2HE LYS 6 1HE LYS 6 8.008 -15.931 -4.299 52 1HZ LYS 6 1HZ LYS 6 7.527 -17.780 -2.614 53 2HZ LYS 6 2HZ LYS 6 8.064 -18.235 -4.161 54 3HZ LYS 6 3HZ LYS 6 6.420 -18.362 -3.760 55 H LEU 7 H LEU 7 4.364 -10.421 -0.676 56 HA LEU 7 HA LEU 7 1.632 -11.306 -0.253 57 1HB LEU 7 2HB LEU 7 3.265 -9.004 0.730 58 2HB LEU 7 1HB LEU 7 1.525 -8.945 0.853 59 HG LEU 7 HG LEU 7 2.022 -9.766 2.918 60 1HD1 LEU 7 1HD1 LEU 7 1.247 -11.791 1.049 61 2HD1 LEU 7 2HD1 LEU 7 2.255 -12.504 2.308 62 3HD1 LEU 7 3HD1 LEU 7 0.801 -11.609 2.748 63 1HD2 LEU 7 1HD2 LEU 7 4.265 -9.899 3.141 64 2HD2 LEU 7 2HD2 LEU 7 3.937 -11.628 3.011 65 3HD2 LEU 7 3HD2 LEU 7 4.484 -10.725 1.598 66 H TYR 8 H TYR 8 0.287 -8.939 -0.232 67 HA TYR 8 HA TYR 8 0.242 -8.187 -3.081 68 1HB TYR 8 2HB TYR 8 -2.102 -7.968 -1.186 69 2HB TYR 8 1HB TYR 8 -2.119 -7.959 -2.951 70 HD1 TYR 8 1HD TYR 8 -2.402 -9.965 -4.157 71 HD2 TYR 8 2HD TYR 8 -1.474 -10.134 -0.007 72 HE1 TYR 8 1HE TYR 8 -2.777 -12.395 -4.171 73 HE2 TYR 8 2HE TYR 8 -1.837 -12.556 -0.012 74 HH TYR 8 HH TYR 8 -2.109 -14.382 -1.322 75 H LEU 9 H LEU 9 1.740 -6.551 -2.755 76 HA LEU 9 HA LEU 9 1.491 -4.666 -0.660 77 1HB LEU 9 2HB LEU 9 3.646 -5.207 -1.565 78 2HB LEU 9 1HB LEU 9 3.154 -4.699 -3.168 79 HG LEU 9 HG LEU 9 2.849 -2.357 -2.092 80 1HD1 LEU 9 1HD1 LEU 9 3.051 -2.902 0.213 81 2HD1 LEU 9 2HD1 LEU 9 4.565 -3.763 -0.063 82 3HD1 LEU 9 3HD1 LEU 9 4.505 -2.009 -0.241 83 1HD2 LEU 9 1HD2 LEU 9 5.607 -2.425 -2.078 84 2HD2 LEU 9 2HD2 LEU 9 5.157 -3.761 -3.136 85 3HD2 LEU 9 3HD2 LEU 9 4.576 -2.132 -3.480 86 H CYS 10 H CYS 10 0.433 -2.804 -0.561 87 HA CYS 10 HA CYS 10 -1.078 -1.813 -2.804 88 1HB CYS 10 2HB CYS 10 -2.195 -1.401 -0.782 89 2HB CYS 10 1HB CYS 10 -0.714 -0.961 0.060 90 H GLU 11 H GLU 11 0.035 -0.831 -4.342 91 HA GLU 11 HA GLU 11 2.543 0.437 -3.786 92 1HB GLU 11 2HB GLU 11 1.047 -0.392 -6.172 93 2HB GLU 11 1HB GLU 11 1.988 1.081 -6.387 94 1HG GLU 11 2HG GLU 11 3.976 0.015 -6.113 95 2HG GLU 11 1HG GLU 11 3.294 -1.241 -5.084 96 H PHE 12 H PHE 12 -0.154 1.535 -2.797 97 HA PHE 12 HA PHE 12 0.072 4.225 -3.964 98 1HB PHE 12 2HB PHE 12 -2.167 3.247 -2.196 99 2HB PHE 12 1HB PHE 12 -2.160 4.643 -3.272 100 HD1 PHE 12 1HD PHE 12 -1.452 3.873 -5.814 101 HD2 PHE 12 2HD PHE 12 -3.479 1.518 -2.904 102 HE1 PHE 12 1HE PHE 12 -2.411 2.490 -7.609 103 HE2 PHE 12 2HE PHE 12 -4.432 0.124 -4.690 104 HZ PHE 12 HZ PHE 12 -3.900 0.611 -7.046 105 H CYS 13 H CYS 13 -0.165 2.542 -0.824 106 HA CYS 13 HA CYS 13 1.202 4.876 0.348 107 1HB CYS 13 2HB CYS 13 0.291 4.328 2.521 108 2HB CYS 13 1HB CYS 13 -1.026 4.489 1.369 109 H LEU 14 H LEU 14 1.504 1.759 -0.663 110 HA LEU 14 HA LEU 14 3.200 0.288 -0.687 111 1HB LEU 14 2HB LEU 14 4.627 2.553 0.680 112 2HB LEU 14 1HB LEU 14 5.421 1.031 0.318 113 HG LEU 14 HG LEU 14 4.018 2.425 -1.905 114 1HD1 LEU 14 1HD1 LEU 14 5.113 4.320 -1.210 115 2HD1 LEU 14 2HD1 LEU 14 6.468 3.420 -0.530 116 3HD1 LEU 14 3HD1 LEU 14 6.311 3.588 -2.278 117 1HD2 LEU 14 1HD2 LEU 14 6.391 1.586 -2.853 118 2HD2 LEU 14 2HD2 LEU 14 6.174 0.454 -1.519 119 3HD2 LEU 14 3HD2 LEU 14 4.951 0.569 -2.783 120 H LYS 15 H LYS 15 1.580 -0.758 0.755 121 HA LYS 15 HA LYS 15 3.027 -1.704 3.111 122 1HB LYS 15 2HB LYS 15 0.841 -0.068 3.398 123 2HB LYS 15 1HB LYS 15 0.116 -1.667 3.480 124 1HG LYS 15 2HG LYS 15 2.543 -1.285 5.100 125 2HG LYS 15 1HG LYS 15 1.125 -0.364 5.607 126 1HD LYS 15 2HD LYS 15 -0.161 -2.320 5.916 127 2HD LYS 15 1HD LYS 15 0.994 -3.312 5.023 128 1HE LYS 15 2HE LYS 15 1.509 -3.886 7.185 129 2HE LYS 15 1HE LYS 15 2.642 -2.561 6.912 130 1HZ LYS 15 1HZ LYS 15 0.113 -1.639 7.893 131 2HZ LYS 15 2HZ LYS 15 1.678 -1.357 8.493 132 3HZ LYS 15 3HZ LYS 15 0.836 -2.751 8.954 133 H TYR 16 H TYR 16 3.229 -3.841 3.038 134 HA TYR 16 HA TYR 16 2.026 -5.371 0.965 135 1HB TYR 16 2HB TYR 16 3.871 -5.940 3.251 136 2HB TYR 16 1HB TYR 16 3.095 -7.294 2.438 137 HD1 TYR 16 1HD TYR 16 3.370 -7.402 -0.144 138 HD2 TYR 16 2HD TYR 16 5.843 -5.051 2.397 139 HE1 TYR 16 1HE TYR 16 5.094 -7.337 -1.891 140 HE2 TYR 16 2HE TYR 16 7.576 -4.981 0.650 141 HH TYR 16 HH TYR 16 7.538 -5.220 -2.010 142 H MET 17 H MET 17 0.002 -6.152 0.977 143 HA MET 17 HA MET 17 -1.361 -6.615 3.519 144 1HB MET 17 2HB MET 17 -2.322 -6.669 0.656 145 2HB MET 17 1HB MET 17 -3.346 -7.045 2.034 146 1HG MET 17 2HG MET 17 -1.972 -4.430 1.481 147 2HG MET 17 1HG MET 17 -3.691 -4.771 1.313 148 1HE MET 17 1HE MET 17 -1.757 -2.837 4.639 149 2HE MET 17 2HE MET 17 -1.367 -2.997 2.927 150 3HE MET 17 3HE MET 17 -2.843 -2.170 3.421 151 H LYS 18 H LYS 18 -2.058 -8.615 4.215 152 HA LYS 18 HA LYS 18 -0.537 -10.829 3.139 153 1HB LYS 18 2HB LYS 18 -2.433 -11.062 5.451 154 2HB LYS 18 1HB LYS 18 -0.931 -11.927 5.159 155 1HG LYS 18 2HG LYS 18 -0.994 -8.979 5.715 156 2HG LYS 18 1HG LYS 18 -0.929 -10.185 7.003 157 1HD LYS 18 2HD LYS 18 1.079 -11.118 5.592 158 2HD LYS 18 1HD LYS 18 1.121 -9.471 4.958 159 1HE LYS 18 2HE LYS 18 2.282 -8.879 6.758 160 2HE LYS 18 1HE LYS 18 0.843 -9.201 7.726 161 1HZ LYS 18 1HZ LYS 18 1.588 -11.521 7.935 162 2HZ LYS 18 2HZ LYS 18 2.701 -10.423 8.597 163 3HZ LYS 18 3HZ LYS 18 3.007 -11.137 7.090 164 H SER 19 H SER 19 -3.462 -9.610 2.326 165 HA SER 19 HA SER 19 -4.282 -12.140 1.187 166 1HB SER 19 2HB SER 19 -5.987 -10.654 3.190 167 2HB SER 19 1HB SER 19 -6.654 -11.822 2.049 168 HG SER 19 HG SER 19 -4.441 -12.629 3.541 169 H ARG 20 H ARG 20 -5.526 -11.940 -0.646 170 HA ARG 20 HA ARG 20 -5.341 -9.503 -2.056 171 1HB ARG 20 2HB ARG 20 -5.563 -11.987 -2.882 172 2HB ARG 20 1HB ARG 20 -7.287 -11.631 -2.851 173 1HG ARG 20 2HG ARG 20 -7.107 -9.995 -4.489 174 2HG ARG 20 1HG ARG 20 -5.365 -9.832 -4.262 175 1HD ARG 20 2HD ARG 20 -5.812 -12.513 -4.959 176 2HD ARG 20 1HD ARG 20 -6.812 -11.550 -6.047 177 HE ARG 20 HE ARG 20 -4.678 -10.248 -6.478 178 1HH1 ARG 20 2HH1 ARG 20 -4.755 -13.671 -5.726 179 2HH1 ARG 20 1HH1 ARG 20 -3.191 -13.992 -6.419 180 1HH2 ARG 20 2HH2 ARG 20 -2.638 -10.662 -7.412 181 2HH2 ARG 20 1HH2 ARG 20 -1.982 -12.277 -7.381 182 H THR 21 H THR 21 -8.032 -11.091 -0.383 183 HA THR 21 HA THR 21 -9.987 -9.196 -1.196 184 HB THR 21 HB THR 21 -10.079 -11.635 0.045 185 HG1 THR 21 1HG THR 21 -11.710 -10.227 -1.186 186 1HG2 THR 21 1HG2 THR 21 -9.633 -10.899 2.253 187 2HG2 THR 21 2HG2 THR 21 -11.372 -11.191 2.168 188 3HG2 THR 21 3HG2 THR 21 -10.750 -9.543 2.101 189 H ILE 22 H ILE 22 -7.599 -9.238 1.311 190 HA ILE 22 HA ILE 22 -8.735 -7.068 2.825 191 HB ILE 22 HB ILE 22 -6.197 -8.633 2.929 192 1HG1 ILE 22 2HG1 ILE 22 -7.835 -7.695 5.255 193 1HG2 ILE 22 1HG2 ILE 22 -4.972 -6.796 3.325 194 2HG2 ILE 22 2HG2 ILE 22 -6.393 -5.792 3.615 195 3HG2 ILE 22 3HG2 ILE 22 -5.759 -6.815 4.904 196 1HD1 ILE 22 1HD1 ILE 22 -6.398 -10.267 4.663 197 2HD1 ILE 22 2HD1 ILE 22 -5.910 -9.016 5.808 198 3HD1 ILE 22 3HD1 ILE 22 -7.374 -9.955 6.098 199 H LEU 23 H LEU 23 -6.315 -7.505 0.297 200 HA LEU 23 HA LEU 23 -5.462 -4.803 0.169 201 1HB LEU 23 2HB LEU 23 -4.526 -7.060 -0.889 202 2HB LEU 23 1HB LEU 23 -5.474 -6.529 -2.260 203 HG LEU 23 HG LEU 23 -2.854 -5.706 -1.440 204 1HD1 LEU 23 1HD1 LEU 23 -3.463 -6.343 -3.683 205 2HD1 LEU 23 2HD1 LEU 23 -4.592 -4.992 -3.794 206 3HD1 LEU 23 3HD1 LEU 23 -2.859 -4.687 -3.672 207 1HD2 LEU 23 1HD2 LEU 23 -3.928 -3.860 -0.268 208 2HD2 LEU 23 2HD2 LEU 23 -3.082 -3.283 -1.705 209 3HD2 LEU 23 3HD2 LEU 23 -4.838 -3.449 -1.723 210 H GLN 24 H GLN 24 -8.026 -6.646 -1.387 211 HA GLN 24 HA GLN 24 -8.839 -4.725 -3.252 212 1HB GLN 24 2HB GLN 24 -9.906 -7.200 -2.125 213 2HB GLN 24 1HB GLN 24 -11.160 -6.052 -2.580 214 1HG GLN 24 2HG GLN 24 -8.978 -7.111 -4.362 215 2HG GLN 24 1HG GLN 24 -10.681 -7.569 -4.399 216 1HE2 GLN 24 1HE2 GLN 24 -8.355 -5.561 -5.680 217 2HE2 GLN 24 2HE2 GLN 24 -9.397 -4.418 -6.470 218 H GLN 25 H GLN 25 -9.877 -5.248 0.105 219 HA GLN 25 HA GLN 25 -11.784 -3.104 0.016 220 1HB GLN 25 2HB GLN 25 -12.225 -3.572 2.285 221 2HB GLN 25 1HB GLN 25 -11.861 -5.133 1.568 222 1HG GLN 25 2HG GLN 25 -9.474 -4.743 2.404 223 2HG GLN 25 1HG GLN 25 -10.180 -3.472 3.397 224 1HE2 GLN 25 1HE2 GLN 25 -11.002 -6.820 2.521 225 2HE2 GLN 25 2HE2 GLN 25 -11.309 -7.339 4.145 226 H HIS 26 H HIS 26 -8.419 -3.433 0.704 227 HA HIS 26 HA HIS 26 -8.068 -0.945 2.067 228 1HB HIS 26 2HB HIS 26 -6.456 -2.762 2.343 229 2HB HIS 26 1HB HIS 26 -6.098 -2.737 0.621 230 HD1 HIS 26 1HD HIS 26 -5.084 -1.222 3.825 231 HD2 HIS 26 2HD HIS 26 -4.704 -0.378 -0.245 232 HE1 HIS 26 1HE HIS 26 -3.336 0.613 3.618 233 H MET 27 H MET 27 -7.778 -2.048 -1.278 234 HA MET 27 HA MET 27 -6.605 0.262 -2.345 235 1HB MET 27 2HB MET 27 -8.235 -1.963 -3.520 236 2HB MET 27 1HB MET 27 -7.709 -0.612 -4.517 237 1HG MET 27 2HG MET 27 -5.385 -1.095 -3.959 238 2HG MET 27 1HG MET 27 -5.908 -2.436 -2.943 239 1HE MET 27 1HE MET 27 -5.905 -2.288 -7.531 240 2HE MET 27 2HE MET 27 -6.507 -0.979 -6.511 241 3HE MET 27 3HE MET 27 -4.796 -1.399 -6.486 242 H LYS 28 H LYS 28 -9.817 -0.328 -1.328 243 HA LYS 28 HA LYS 28 -11.102 1.685 -2.899 244 1HB LYS 28 2HB LYS 28 -11.834 -0.136 -0.716 245 2HB LYS 28 1HB LYS 28 -12.634 1.427 -0.624 246 1HG LYS 28 2HG LYS 28 -14.054 -0.039 -1.832 247 2HG LYS 28 1HG LYS 28 -13.371 1.103 -2.990 248 1HD LYS 28 2HD LYS 28 -11.565 -1.014 -2.935 249 2HD LYS 28 1HD LYS 28 -13.156 -1.781 -2.890 250 1HE LYS 28 2HE LYS 28 -12.948 0.428 -4.798 251 2HE LYS 28 1HE LYS 28 -11.865 -0.920 -5.145 252 1HZ LYS 28 1HZ LYS 28 -14.460 -1.857 -4.471 253 2HZ LYS 28 2HZ LYS 28 -13.558 -2.117 -5.884 254 3HZ LYS 28 3HZ LYS 28 -14.546 -0.745 -5.751 255 H LYS 29 H LYS 29 -9.682 1.518 0.324 256 HA LYS 29 HA LYS 29 -10.272 4.217 1.042 257 1HB LYS 29 2HB LYS 29 -9.913 2.775 2.866 258 2HB LYS 29 1HB LYS 29 -8.467 2.085 2.147 259 1HG LYS 29 2HG LYS 29 -8.260 4.946 2.674 260 2HG LYS 29 1HG LYS 29 -8.520 3.968 4.119 261 1HD LYS 29 2HD LYS 29 -6.524 2.852 3.891 262 2HD LYS 29 1HD LYS 29 -6.485 3.065 2.139 263 1HE LYS 29 2HE LYS 29 -6.306 5.507 3.806 264 2HE LYS 29 1HE LYS 29 -4.904 4.437 3.800 265 1HZ LYS 29 1HZ LYS 29 -4.603 6.022 2.084 266 2HZ LYS 29 2HZ LYS 29 -6.161 5.774 1.468 267 3HZ LYS 29 3HZ LYS 29 -4.987 4.558 1.319 268 H CYS 30 H CYS 30 -7.509 2.538 -0.318 269 HA CYS 30 HA CYS 30 -5.953 4.964 -0.444 270 1HB CYS 30 2HB CYS 30 -5.487 2.139 -0.403 271 2HB CYS 30 1HB CYS 30 -4.695 2.838 -1.802 272 H GLY 31 H GLY 31 -8.417 4.688 -2.083 273 1HA GLY 31 1HA GLY 31 -7.440 5.835 -4.474 274 2HA GLY 31 2HA GLY 31 -7.872 4.154 -4.765 275 H TRP 32 H TRP 32 -9.288 6.822 -2.887 276 HA TRP 32 HA TRP 32 -11.948 6.018 -3.478 277 1HB TRP 32 2HB TRP 32 -10.694 8.400 -2.164 278 2HB TRP 32 1HB TRP 32 -12.398 8.452 -2.599 279 HD1 TRP 32 HD TRP 32 -10.467 7.864 0.313 280 HE1 TRP 32 1HE TRP 32 -11.634 6.285 1.987 281 HE3 TRP 32 3HE TRP 32 -13.985 5.850 -2.800 282 HZ2 TRP 32 2HZ TRP 32 -13.755 4.423 1.970 283 HZ3 TRP 32 3HZ TRP 32 -15.543 4.178 -1.895 284 HH2 TRP 32 HH TRP 32 -15.431 3.480 0.441 285 H PHE 33 H PHE 33 -9.682 8.246 -4.913 286 HA PHE 33 HA PHE 33 -11.605 8.685 -7.085 287 1HB PHE 33 2HB PHE 33 -11.095 10.715 -5.480 288 2HB PHE 33 1HB PHE 33 -9.608 10.815 -6.425 289 HD1 PHE 33 1HD PHE 33 -9.593 11.769 -8.567 290 HD2 PHE 33 2HD PHE 33 -13.297 10.876 -6.667 291 HE1 PHE 33 1HE PHE 33 -10.791 13.006 -10.324 292 HE2 PHE 33 2HE PHE 33 -14.499 12.113 -8.420 293 HZ PHE 33 HZ PHE 33 -13.246 13.180 -10.251 Start of MODEL 4 1 1H GLY 1 1H GLY 1 11.421 -15.214 -6.731 2 2H GLY 1 2H GLY 1 12.962 -14.843 -6.131 3 3H GLY 1 3H GLY 1 12.166 -13.747 -7.149 4 1HA GLY 1 2HA GLY 1 10.868 -12.926 -5.529 5 2HA GLY 1 1HA GLY 1 10.743 -14.491 -4.736 6 H SER 2 H SER 2 11.160 -12.119 -3.343 7 HA SER 2 HA SER 2 14.003 -12.081 -2.661 8 1HB SER 2 2HB SER 2 12.336 -10.304 -1.090 9 2HB SER 2 1HB SER 2 13.645 -9.906 -2.206 10 HG SER 2 HG SER 2 12.020 -10.265 -3.913 11 H ARG 3 H ARG 3 14.002 -11.431 -0.010 12 HA ARG 3 HA ARG 3 13.559 -13.925 1.285 13 1HB ARG 3 2HB ARG 3 15.096 -11.768 1.848 14 2HB ARG 3 1HB ARG 3 13.756 -11.478 2.948 15 1HG ARG 3 2HG ARG 3 14.734 -14.223 3.001 16 2HG ARG 3 1HG ARG 3 15.944 -13.026 3.467 17 1HD ARG 3 2HD ARG 3 15.011 -13.168 5.502 18 2HD ARG 3 1HD ARG 3 13.744 -12.149 4.818 19 HE ARG 3 HE ARG 3 13.089 -14.791 4.224 20 1HH1 ARG 3 2HH1 ARG 3 13.464 -12.772 7.076 21 2HH1 ARG 3 1HH1 ARG 3 12.307 -13.667 8.011 22 1HH2 ARG 3 2HH2 ARG 3 11.536 -15.937 5.457 23 2HH2 ARG 3 1HH2 ARG 3 11.216 -15.462 7.100 24 H LEU 4 H LEU 4 11.780 -10.937 1.037 25 HA LEU 4 HA LEU 4 9.660 -11.848 2.801 26 1HB LEU 4 2HB LEU 4 10.558 -9.365 2.182 27 2HB LEU 4 1HB LEU 4 9.239 -9.507 1.037 28 HG LEU 4 HG LEU 4 8.329 -10.344 3.626 29 1HD1 LEU 4 1HD1 LEU 4 10.283 -8.284 3.740 30 2HD1 LEU 4 2HD1 LEU 4 8.704 -7.575 4.077 31 3HD1 LEU 4 3HD1 LEU 4 9.284 -8.934 5.040 32 1HD2 LEU 4 1HD2 LEU 4 7.672 -8.125 1.705 33 2HD2 LEU 4 2HD2 LEU 4 6.790 -9.623 1.991 34 3HD2 LEU 4 3HD2 LEU 4 6.802 -8.358 3.219 35 HA PRO 5 HA PRO 5 7.538 -13.973 -0.464 36 1HB PRO 5 2HB PRO 5 5.079 -13.491 1.096 37 2HB PRO 5 1HB PRO 5 5.836 -15.020 0.642 38 1HG PRO 5 2HG PRO 5 5.883 -14.126 3.170 39 2HG PRO 5 1HG PRO 5 7.250 -15.016 2.470 40 1HD PRO 5 2HD PRO 5 6.930 -12.068 2.912 41 2HD PRO 5 1HD PRO 5 8.357 -13.096 3.163 42 H LYS 6 H LYS 6 6.037 -13.567 -2.139 43 HA LYS 6 HA LYS 6 5.662 -10.764 -2.686 44 1HB LYS 6 2HB LYS 6 5.864 -13.136 -4.232 45 2HB LYS 6 1HB LYS 6 4.300 -12.413 -4.584 46 1HG LYS 6 2HG LYS 6 6.854 -10.840 -4.657 47 2HG LYS 6 1HG LYS 6 6.237 -11.720 -6.056 48 1HD LYS 6 2HD LYS 6 4.857 -10.042 -6.527 49 2HD LYS 6 1HD LYS 6 4.119 -10.174 -4.930 50 1HE LYS 6 2HE LYS 6 5.164 -8.349 -4.191 51 2HE LYS 6 1HE LYS 6 6.715 -8.888 -4.831 52 1HZ LYS 6 1HZ LYS 6 6.453 -7.144 -6.192 53 2HZ LYS 6 2HZ LYS 6 4.774 -7.070 -5.976 54 3HZ LYS 6 3HZ LYS 6 5.436 -8.181 -7.073 55 H LEU 7 H LEU 7 4.204 -10.140 -1.083 56 HA LEU 7 HA LEU 7 1.590 -11.381 -0.931 57 1HB LEU 7 2HB LEU 7 2.999 -9.186 0.511 58 2HB LEU 7 1HB LEU 7 1.253 -9.193 0.538 59 HG LEU 7 HG LEU 7 1.805 -10.280 2.498 60 1HD1 LEU 7 1HD1 LEU 7 1.807 -12.847 1.111 61 2HD1 LEU 7 2HD1 LEU 7 0.640 -12.169 2.244 62 3HD1 LEU 7 3HD1 LEU 7 0.563 -11.739 0.535 63 1HD2 LEU 7 1HD2 LEU 7 4.181 -10.438 2.182 64 2HD2 LEU 7 2HD2 LEU 7 3.558 -12.015 2.663 65 3HD2 LEU 7 3HD2 LEU 7 3.980 -11.710 0.978 66 H TYR 8 H TYR 8 0.195 -8.884 -0.440 67 HA TYR 8 HA TYR 8 -0.134 -7.988 -3.224 68 1HB TYR 8 2HB TYR 8 -2.150 -7.759 -0.977 69 2HB TYR 8 1HB TYR 8 -2.433 -7.535 -2.708 70 HD1 TYR 8 1HD TYR 8 -1.797 -10.016 -0.062 71 HD2 TYR 8 2HD TYR 8 -2.751 -9.404 -4.158 72 HE1 TYR 8 1HE TYR 8 -2.325 -12.399 -0.285 73 HE2 TYR 8 2HE TYR 8 -3.302 -11.783 -4.390 74 HH TYR 8 HH TYR 8 -2.980 -13.850 -3.400 75 H LEU 9 H LEU 9 0.700 -6.072 -3.622 76 HA LEU 9 HA LEU 9 1.393 -4.356 -1.384 77 1HB LEU 9 2HB LEU 9 2.932 -5.134 -3.292 78 2HB LEU 9 1HB LEU 9 2.125 -3.918 -4.263 79 HG LEU 9 HG LEU 9 2.923 -2.155 -2.803 80 1HD1 LEU 9 1HD1 LEU 9 3.328 -4.341 -0.982 81 2HD1 LEU 9 2HD1 LEU 9 4.813 -3.409 -1.175 82 3HD1 LEU 9 3HD1 LEU 9 3.326 -2.606 -0.670 83 1HD2 LEU 9 1HD2 LEU 9 5.325 -3.875 -3.234 84 2HD2 LEU 9 2HD2 LEU 9 4.387 -3.309 -4.617 85 3HD2 LEU 9 3HD2 LEU 9 5.119 -2.144 -3.512 86 H CYS 10 H CYS 10 0.647 -2.357 -1.009 87 HA CYS 10 HA CYS 10 -1.425 -1.253 -2.712 88 1HB CYS 10 2HB CYS 10 -1.976 -0.994 -0.395 89 2HB CYS 10 1HB CYS 10 -0.351 -0.451 0.003 90 H GLU 11 H GLU 11 -1.099 0.698 -3.703 91 HA GLU 11 HA GLU 11 1.681 1.244 -4.378 92 1HB GLU 11 2HB GLU 11 -0.917 2.030 -5.691 93 2HB GLU 11 1HB GLU 11 0.653 2.598 -6.240 94 1HG GLU 11 2HG GLU 11 1.287 0.130 -6.411 95 2HG GLU 11 1HG GLU 11 -0.442 -0.189 -6.270 96 H PHE 12 H PHE 12 -0.635 2.434 -2.316 97 HA PHE 12 HA PHE 12 0.446 5.170 -2.437 98 1HB PHE 12 2HB PHE 12 -1.997 4.369 -0.876 99 2HB PHE 12 1HB PHE 12 -1.551 5.961 -1.481 100 HD1 PHE 12 1HD PHE 12 -1.663 6.386 -3.963 101 HD2 PHE 12 2HD PHE 12 -3.332 2.919 -2.148 102 HE1 PHE 12 1HE PHE 12 -3.056 6.015 -5.956 103 HE2 PHE 12 2HE PHE 12 -4.731 2.545 -4.136 104 HZ PHE 12 HZ PHE 12 -4.595 4.096 -6.043 105 H CYS 13 H CYS 13 0.102 2.335 -0.468 106 HA CYS 13 HA CYS 13 1.431 3.687 1.783 107 1HB CYS 13 2HB CYS 13 0.156 0.946 1.644 108 2HB CYS 13 1HB CYS 13 0.881 1.665 3.078 109 H LEU 14 H LEU 14 1.683 1.160 -0.588 110 HA LEU 14 HA LEU 14 3.341 -0.170 -1.303 111 1HB LEU 14 2HB LEU 14 4.918 2.018 -0.024 112 2HB LEU 14 1HB LEU 14 5.746 0.536 -0.470 113 HG LEU 14 HG LEU 14 4.041 1.895 -2.510 114 1HD1 LEU 14 1HD1 LEU 14 5.618 3.556 -1.329 115 2HD1 LEU 14 2HD1 LEU 14 6.905 2.679 -2.156 116 3HD1 LEU 14 3HD1 LEU 14 5.638 3.471 -3.090 117 1HD2 LEU 14 1HD2 LEU 14 4.971 -0.268 -3.042 118 2HD2 LEU 14 2HD2 LEU 14 5.767 0.972 -4.011 119 3HD2 LEU 14 3HD2 LEU 14 6.588 0.286 -2.609 120 H LYS 15 H LYS 15 1.868 -0.702 1.005 121 HA LYS 15 HA LYS 15 3.762 -2.228 2.658 122 1HB LYS 15 2HB LYS 15 1.722 -0.516 3.437 123 2HB LYS 15 1HB LYS 15 1.000 -2.110 3.605 124 1HG LYS 15 2HG LYS 15 3.546 -2.321 4.738 125 2HG LYS 15 1HG LYS 15 2.894 -0.779 5.297 126 1HD LYS 15 2HD LYS 15 0.942 -2.941 5.379 127 2HD LYS 15 1HD LYS 15 2.357 -3.246 6.388 128 1HE LYS 15 2HE LYS 15 1.438 -1.942 7.932 129 2HE LYS 15 1HE LYS 15 1.714 -0.580 6.849 130 1HZ LYS 15 1HZ LYS 15 -0.725 -2.266 6.748 131 2HZ LYS 15 2HZ LYS 15 -0.462 -0.778 5.973 132 3HZ LYS 15 3HZ LYS 15 -0.614 -0.841 7.659 133 H TYR 16 H TYR 16 3.419 -4.450 2.920 134 HA TYR 16 HA TYR 16 1.883 -5.631 0.766 135 1HB TYR 16 2HB TYR 16 3.985 -6.609 2.658 136 2HB TYR 16 1HB TYR 16 2.979 -7.773 1.802 137 HD1 TYR 16 1HD TYR 16 2.836 -7.427 -0.797 138 HD2 TYR 16 2HD TYR 16 5.931 -5.849 1.658 139 HE1 TYR 16 1HE TYR 16 4.284 -7.212 -2.771 140 HE2 TYR 16 2HE TYR 16 7.390 -5.637 -0.311 141 HH TYR 16 HH TYR 16 7.260 -5.471 -2.682 142 H MET 17 H MET 17 -0.111 -6.239 1.014 143 HA MET 17 HA MET 17 -1.292 -6.581 3.631 144 1HB MET 17 2HB MET 17 -2.414 -6.795 0.832 145 2HB MET 17 1HB MET 17 -3.380 -6.984 2.281 146 1HG MET 17 2HG MET 17 -1.992 -4.525 1.277 147 2HG MET 17 1HG MET 17 -3.715 -4.781 1.540 148 1HE MET 17 1HE MET 17 -1.103 -2.913 2.335 149 2HE MET 17 2HE MET 17 -2.424 -2.000 3.062 150 3HE MET 17 3HE MET 17 -1.071 -2.537 4.057 151 H LYS 18 H LYS 18 -1.888 -8.475 4.552 152 HA LYS 18 HA LYS 18 -0.521 -10.799 3.614 153 1HB LYS 18 2HB LYS 18 -2.459 -10.676 5.924 154 2HB LYS 18 1HB LYS 18 -1.142 -11.815 5.684 155 1HG LYS 18 2HG LYS 18 -0.719 -8.865 6.069 156 2HG LYS 18 1HG LYS 18 -0.730 -10.032 7.392 157 1HD LYS 18 2HD LYS 18 1.376 -10.615 6.967 158 2HD LYS 18 1HD LYS 18 0.992 -10.942 5.276 159 1HE LYS 18 2HE LYS 18 2.762 -9.206 5.646 160 2HE LYS 18 1HE LYS 18 1.399 -8.683 4.662 161 1HZ LYS 18 1HZ LYS 18 1.555 -8.146 7.570 162 2HZ LYS 18 2HZ LYS 18 0.528 -7.426 6.427 163 3HZ LYS 18 3HZ LYS 18 2.191 -7.080 6.414 164 H SER 19 H SER 19 -3.655 -9.621 3.067 165 HA SER 19 HA SER 19 -4.445 -12.244 2.020 166 1HB SER 19 2HB SER 19 -6.495 -10.463 3.303 167 2HB SER 19 1HB SER 19 -6.556 -12.205 3.012 168 HG SER 19 HG SER 19 -4.669 -12.192 4.574 169 H ARG 20 H ARG 20 -5.909 -12.207 0.282 170 HA ARG 20 HA ARG 20 -5.516 -10.105 -1.576 171 1HB ARG 20 2HB ARG 20 -6.228 -12.693 -1.791 172 2HB ARG 20 1HB ARG 20 -7.814 -11.947 -1.924 173 1HG ARG 20 2HG ARG 20 -7.347 -10.979 -3.928 174 2HG ARG 20 1HG ARG 20 -5.619 -10.861 -3.592 175 1HD ARG 20 2HD ARG 20 -5.365 -13.250 -3.919 176 2HD ARG 20 1HD ARG 20 -7.101 -13.422 -4.172 177 HE ARG 20 HE ARG 20 -5.416 -11.811 -5.984 178 1HH1 ARG 20 2HH1 ARG 20 -7.866 -14.236 -5.416 179 2HH1 ARG 20 1HH1 ARG 20 -8.154 -14.539 -7.102 180 1HH2 ARG 20 2HH2 ARG 20 -5.770 -12.202 -8.217 181 2HH2 ARG 20 1HH2 ARG 20 -6.927 -13.415 -8.695 182 H THR 21 H THR 21 -8.255 -11.126 0.406 183 HA THR 21 HA THR 21 -10.161 -9.286 -0.460 184 HB THR 21 HB THR 21 -10.733 -9.656 2.204 185 HG1 THR 21 1HG THR 21 -9.837 -11.518 2.864 186 1HG2 THR 21 1HG2 THR 21 -11.270 -11.591 -0.051 187 2HG2 THR 21 2HG2 THR 21 -12.199 -10.128 0.273 188 3HG2 THR 21 3HG2 THR 21 -12.196 -11.449 1.443 189 H ILE 22 H ILE 22 -7.661 -9.028 2.020 190 HA ILE 22 HA ILE 22 -8.460 -6.595 3.151 191 HB ILE 22 HB ILE 22 -5.759 -7.920 2.953 192 1HG1 ILE 22 2HG1 ILE 22 -7.679 -7.555 5.263 193 1HG2 ILE 22 1HG2 ILE 22 -5.893 -5.991 5.055 194 2HG2 ILE 22 2HG2 ILE 22 -4.742 -6.115 3.725 195 3HG2 ILE 22 3HG2 ILE 22 -6.242 -5.214 3.511 196 1HD1 ILE 22 1HD1 ILE 22 -5.392 -7.719 6.053 197 2HD1 ILE 22 2HD1 ILE 22 -6.306 -9.177 6.441 198 3HD1 ILE 22 3HD1 ILE 22 -5.160 -9.188 5.102 199 H LEU 23 H LEU 23 -5.958 -7.240 0.680 200 HA LEU 23 HA LEU 23 -5.379 -4.531 0.181 201 1HB LEU 23 2HB LEU 23 -4.171 -6.788 -0.488 202 2HB LEU 23 1HB LEU 23 -5.073 -6.571 -1.971 203 HG LEU 23 HG LEU 23 -2.574 -5.486 -1.330 204 1HD1 LEU 23 1HD1 LEU 23 -4.543 -5.017 -3.538 205 2HD1 LEU 23 2HD1 LEU 23 -2.933 -4.300 -3.536 206 3HD1 LEU 23 3HD1 LEU 23 -3.116 -6.054 -3.530 207 1HD2 LEU 23 1HD2 LEU 23 -3.246 -3.004 -1.829 208 2HD2 LEU 23 2HD2 LEU 23 -4.750 -3.469 -1.032 209 3HD2 LEU 23 3HD2 LEU 23 -3.216 -3.611 -0.173 210 H GLN 24 H GLN 24 -7.762 -6.719 -1.196 211 HA GLN 24 HA GLN 24 -8.489 -5.219 -3.442 212 1HB GLN 24 2HB GLN 24 -9.619 -7.433 -1.913 213 2HB GLN 24 1HB GLN 24 -10.840 -6.412 -2.659 214 1HG GLN 24 2HG GLN 24 -8.610 -7.902 -4.011 215 2HG GLN 24 1HG GLN 24 -10.347 -8.164 -4.178 216 1HE2 GLN 24 1HE2 GLN 24 -11.583 -6.328 -5.072 217 2HE2 GLN 24 2HE2 GLN 24 -10.845 -5.390 -6.336 218 H GLN 25 H GLN 25 -9.892 -5.182 -0.160 219 HA GLN 25 HA GLN 25 -11.585 -2.949 -0.857 220 1HB GLN 25 2HB GLN 25 -12.325 -2.998 1.459 221 2HB GLN 25 1HB GLN 25 -12.349 -4.616 0.775 222 1HG GLN 25 2HG GLN 25 -10.015 -4.848 1.871 223 2HG GLN 25 1HG GLN 25 -10.523 -3.461 2.838 224 1HE2 GLN 25 1HE2 GLN 25 -11.333 -6.746 1.928 225 2HE2 GLN 25 2HE2 GLN 25 -12.266 -7.112 3.342 226 H HIS 26 H HIS 26 -8.436 -3.426 0.468 227 HA HIS 26 HA HIS 26 -8.120 -0.961 1.788 228 1HB HIS 26 2HB HIS 26 -6.534 -2.785 2.149 229 2HB HIS 26 1HB HIS 26 -6.030 -2.710 0.462 230 HD1 HIS 26 1HD HIS 26 -5.290 -1.274 3.779 231 HD2 HIS 26 2HD HIS 26 -4.667 -0.240 -0.218 232 HE1 HIS 26 1HE HIS 26 -3.687 0.701 3.767 233 H MET 27 H MET 27 -7.132 -1.956 -1.496 234 HA MET 27 HA MET 27 -6.146 0.608 -2.174 235 1HB MET 27 2HB MET 27 -6.633 -1.936 -3.620 236 2HB MET 27 1HB MET 27 -6.490 -0.478 -4.596 237 1HG MET 27 2HG MET 27 -4.341 -0.053 -3.245 238 2HG MET 27 1HG MET 27 -4.460 -1.757 -2.812 239 1HE MET 27 1HE MET 27 -4.217 0.701 -6.072 240 2HE MET 27 2HE MET 27 -2.928 0.671 -4.868 241 3HE MET 27 3HE MET 27 -2.650 -0.003 -6.474 242 H LYS 28 H LYS 28 -9.280 -0.557 -1.944 243 HA LYS 28 HA LYS 28 -10.452 1.177 -3.935 244 1HB LYS 28 2HB LYS 28 -11.386 -0.908 -2.111 245 2HB LYS 28 1HB LYS 28 -12.481 0.466 -2.187 246 1HG LYS 28 2HG LYS 28 -13.133 -1.204 -3.797 247 2HG LYS 28 1HG LYS 28 -12.565 0.243 -4.633 248 1HD LYS 28 2HD LYS 28 -10.259 -1.175 -4.424 249 2HD LYS 28 1HD LYS 28 -11.442 -2.477 -4.576 250 1HE LYS 28 2HE LYS 28 -12.046 -1.872 -6.697 251 2HE LYS 28 1HE LYS 28 -11.667 -0.170 -6.435 252 1HZ LYS 28 1HZ LYS 28 -10.157 -1.495 -7.967 253 2HZ LYS 28 2HZ LYS 28 -9.540 -2.221 -6.565 254 3HZ LYS 28 3HZ LYS 28 -9.409 -0.544 -6.781 255 H LYS 29 H LYS 29 -9.845 1.176 -0.479 256 HA LYS 29 HA LYS 29 -11.183 3.712 -0.079 257 1HB LYS 29 2HB LYS 29 -10.727 1.652 1.591 258 2HB LYS 29 1HB LYS 29 -9.340 2.660 1.981 259 1HG LYS 29 2HG LYS 29 -11.939 4.043 1.883 260 2HG LYS 29 1HG LYS 29 -11.733 2.867 3.185 261 1HD LYS 29 2HD LYS 29 -9.372 4.486 2.923 262 2HD LYS 29 1HD LYS 29 -10.800 5.513 3.090 263 1HE LYS 29 2HE LYS 29 -10.061 3.242 4.932 264 2HE LYS 29 1HE LYS 29 -9.781 4.952 5.261 265 1HZ LYS 29 1HZ LYS 29 -12.188 3.415 5.521 266 2HZ LYS 29 2HZ LYS 29 -12.424 4.845 4.639 267 3HZ LYS 29 3HZ LYS 29 -11.781 4.913 6.207 268 H CYS 30 H CYS 30 -7.919 2.451 -0.268 269 HA CYS 30 HA CYS 30 -6.578 4.892 0.263 270 1HB CYS 30 2HB CYS 30 -5.844 2.256 0.009 271 2HB CYS 30 1HB CYS 30 -5.171 2.970 -1.451 272 H GLY 31 H GLY 31 -8.087 3.556 -2.536 273 1HA GLY 31 1HA GLY 31 -6.711 5.084 -4.512 274 2HA GLY 31 2HA GLY 31 -8.258 4.270 -4.717 275 H TRP 32 H TRP 32 -8.998 5.942 -2.162 276 HA TRP 32 HA TRP 32 -10.157 8.137 -3.652 277 1HB TRP 32 2HB TRP 32 -10.390 7.219 -0.785 278 2HB TRP 32 1HB TRP 32 -11.106 8.727 -1.348 279 HD1 TRP 32 HD TRP 32 -12.113 5.345 -0.714 280 HE1 TRP 32 1HE TRP 32 -14.164 4.647 -2.107 281 HE3 TRP 32 3HE TRP 32 -12.075 9.122 -4.156 282 HZ2 TRP 32 2HZ TRP 32 -15.578 5.588 -4.351 283 HZ3 TRP 32 3HZ TRP 32 -13.813 9.148 -5.894 284 HH2 TRP 32 HH TRP 32 -15.529 7.414 -5.988 285 H PHE 33 H PHE 33 -7.894 8.870 -4.141 286 HA PHE 33 HA PHE 33 -6.450 10.153 -2.002 287 1HB PHE 33 2HB PHE 33 -5.774 9.174 -4.522 288 2HB PHE 33 1HB PHE 33 -5.634 10.924 -4.689 289 HD1 PHE 33 1HD PHE 33 -3.836 12.092 -3.743 290 HD2 PHE 33 2HD PHE 33 -4.477 8.013 -2.727 291 HE1 PHE 33 1HE PHE 33 -1.640 12.030 -2.637 292 HE2 PHE 33 2HE PHE 33 -2.287 7.943 -1.608 293 HZ PHE 33 HZ PHE 33 -0.864 9.953 -1.565 Start of MODEL 5 1 1H GLY 1 1H GLY 1 8.916 -0.419 0.989 2 2H GLY 1 2H GLY 1 9.105 -2.031 0.486 3 3H GLY 1 3H GLY 1 10.108 -0.823 -0.147 4 1HA GLY 1 2HA GLY 1 11.564 -1.088 1.476 5 2HA GLY 1 1HA GLY 1 10.300 -0.763 2.654 6 H SER 2 H SER 2 11.875 -2.385 3.734 7 HA SER 2 HA SER 2 10.930 -5.119 3.146 8 1HB SER 2 2HB SER 2 13.395 -4.816 4.754 9 2HB SER 2 1HB SER 2 13.026 -5.948 3.452 10 HG SER 2 HG SER 2 13.249 -4.040 2.023 11 H ARG 3 H ARG 3 9.282 -3.616 4.661 12 HA ARG 3 HA ARG 3 9.845 -4.228 7.466 13 1HB ARG 3 2HB ARG 3 8.840 -2.006 6.663 14 2HB ARG 3 1HB ARG 3 7.352 -2.908 6.409 15 1HG ARG 3 2HG ARG 3 6.911 -2.258 8.509 16 2HG ARG 3 1HG ARG 3 7.917 -3.639 8.936 17 1HD ARG 3 2HD ARG 3 8.414 -0.766 9.249 18 2HD ARG 3 1HD ARG 3 9.044 -2.129 10.168 19 HE ARG 3 HE ARG 3 10.272 -0.814 7.902 20 1HH1 ARG 3 2HH1 ARG 3 10.239 -3.654 9.964 21 2HH1 ARG 3 1HH1 ARG 3 11.846 -4.151 9.517 22 1HH2 ARG 3 2HH2 ARG 3 12.412 -1.431 7.375 23 2HH2 ARG 3 1HH2 ARG 3 13.084 -2.881 8.069 24 H LEU 4 H LEU 4 7.926 -5.224 4.772 25 HA LEU 4 HA LEU 4 7.008 -7.541 6.314 26 1HB LEU 4 2HB LEU 4 5.344 -5.511 4.982 27 2HB LEU 4 1HB LEU 4 4.951 -7.161 4.539 28 HG LEU 4 HG LEU 4 5.042 -7.421 7.225 29 1HD1 LEU 4 1HD1 LEU 4 5.515 -5.019 7.530 30 2HD1 LEU 4 2HD1 LEU 4 3.982 -4.640 6.745 31 3HD1 LEU 4 3HD1 LEU 4 3.994 -5.516 8.275 32 1HD2 LEU 4 1HD2 LEU 4 2.449 -6.608 6.823 33 2HD2 LEU 4 2HD2 LEU 4 2.981 -7.057 5.203 34 3HD2 LEU 4 3HD2 LEU 4 3.085 -8.225 6.522 35 HA PRO 5 HA PRO 5 8.536 -9.840 2.907 36 1HB PRO 5 2HB PRO 5 6.198 -11.633 3.013 37 2HB PRO 5 1HB PRO 5 7.898 -11.986 3.331 38 1HG PRO 5 2HG PRO 5 6.101 -11.890 5.314 39 2HG PRO 5 1HG PRO 5 7.762 -11.314 5.539 40 1HD PRO 5 2HD PRO 5 5.261 -9.740 5.046 41 2HD PRO 5 1HD PRO 5 6.589 -9.417 6.182 42 H LYS 6 H LYS 6 7.687 -11.069 0.812 43 HA LYS 6 HA LYS 6 6.457 -9.033 -0.785 44 1HB LYS 6 2HB LYS 6 8.156 -11.216 -1.247 45 2HB LYS 6 1HB LYS 6 6.681 -11.573 -2.136 46 1HG LYS 6 2HG LYS 6 6.998 -9.043 -2.897 47 2HG LYS 6 1HG LYS 6 8.685 -9.434 -2.550 48 1HD LYS 6 2HD LYS 6 7.434 -11.569 -4.025 49 2HD LYS 6 1HD LYS 6 7.239 -10.031 -4.871 50 1HE LYS 6 2HE LYS 6 9.285 -10.481 -5.680 51 2HE LYS 6 1HE LYS 6 9.837 -9.879 -4.117 52 1HZ LYS 6 1HZ LYS 6 10.908 -11.916 -4.402 53 2HZ LYS 6 2HZ LYS 6 9.514 -12.688 -4.993 54 3HZ LYS 6 3HZ LYS 6 9.624 -12.277 -3.352 55 H LEU 7 H LEU 7 4.424 -8.917 0.243 56 HA LEU 7 HA LEU 7 2.579 -11.124 -0.341 57 1HB LEU 7 2HB LEU 7 1.937 -8.682 1.284 58 2HB LEU 7 1HB LEU 7 1.131 -10.230 1.294 59 HG LEU 7 HG LEU 7 3.883 -9.696 2.407 60 1HD1 LEU 7 1HD1 LEU 7 2.952 -9.679 4.536 61 2HD1 LEU 7 2HD1 LEU 7 1.808 -8.730 3.587 62 3HD1 LEU 7 3HD1 LEU 7 1.444 -10.409 3.985 63 1HD2 LEU 7 1HD2 LEU 7 4.151 -11.898 2.229 64 2HD2 LEU 7 2HD2 LEU 7 2.892 -12.054 3.454 65 3HD2 LEU 7 3HD2 LEU 7 2.471 -12.133 1.743 66 H TYR 8 H TYR 8 0.389 -9.063 -0.058 67 HA TYR 8 HA TYR 8 0.314 -8.211 -2.843 68 1HB TYR 8 2HB TYR 8 -1.703 -7.978 -0.593 69 2HB TYR 8 1HB TYR 8 -1.973 -7.385 -2.231 70 HD1 TYR 8 1HD TYR 8 -1.413 -10.447 -0.221 71 HD2 TYR 8 2HD TYR 8 -2.661 -8.830 -3.950 72 HE1 TYR 8 1HE TYR 8 -2.264 -12.653 -0.885 73 HE2 TYR 8 2HE TYR 8 -3.512 -11.028 -4.626 74 HH TYR 8 HH TYR 8 -3.201 -13.861 -2.486 75 H LEU 9 H LEU 9 1.601 -6.489 -3.171 76 HA LEU 9 HA LEU 9 1.888 -4.466 -1.132 77 1HB LEU 9 2HB LEU 9 3.801 -5.204 -2.492 78 2HB LEU 9 1HB LEU 9 3.011 -4.585 -3.930 79 HG LEU 9 HG LEU 9 3.171 -2.298 -3.053 80 1HD1 LEU 9 1HD1 LEU 9 4.288 -1.769 -1.026 81 2HD1 LEU 9 2HD1 LEU 9 3.070 -2.985 -0.643 82 3HD1 LEU 9 3HD1 LEU 9 4.766 -3.449 -0.777 83 1HD2 LEU 9 1HD2 LEU 9 5.759 -2.254 -2.927 84 2HD2 LEU 9 2HD2 LEU 9 5.632 -3.977 -3.285 85 3HD2 LEU 9 3HD2 LEU 9 4.974 -2.792 -4.413 86 H CYS 10 H CYS 10 0.695 -2.727 -0.939 87 HA CYS 10 HA CYS 10 -1.171 -1.918 -2.992 88 1HB CYS 10 2HB CYS 10 -2.024 -1.722 -0.778 89 2HB CYS 10 1HB CYS 10 -0.555 -0.947 -0.200 90 H GLU 11 H GLU 11 -0.366 -0.789 -4.618 91 HA GLU 11 HA GLU 11 2.091 0.618 -4.460 92 1HB GLU 11 2HB GLU 11 0.048 0.093 -6.533 93 2HB GLU 11 1HB GLU 11 1.042 1.525 -6.770 94 1HG GLU 11 2HG GLU 11 2.557 0.198 -7.676 95 2HG GLU 11 1HG GLU 11 2.853 -0.447 -6.065 96 H PHE 12 H PHE 12 -0.587 1.491 -2.975 97 HA PHE 12 HA PHE 12 -0.507 4.304 -3.786 98 1HB PHE 12 2HB PHE 12 -2.455 2.872 -1.972 99 2HB PHE 12 1HB PHE 12 -2.556 4.564 -2.446 100 HD1 PHE 12 1HD PHE 12 -1.811 4.282 -5.333 101 HD2 PHE 12 2HD PHE 12 -4.433 2.015 -2.869 102 HE1 PHE 12 1HE PHE 12 -3.127 3.657 -7.314 103 HE2 PHE 12 2HE PHE 12 -5.757 1.386 -4.846 104 HZ PHE 12 HZ PHE 12 -5.103 2.206 -7.074 105 H CYS 13 H CYS 13 -0.101 2.238 -0.913 106 HA CYS 13 HA CYS 13 1.276 4.518 0.355 107 1HB CYS 13 2HB CYS 13 0.569 3.694 2.546 108 2HB CYS 13 1HB CYS 13 -0.827 4.034 1.530 109 H LEU 14 H LEU 14 1.586 1.506 -0.935 110 HA LEU 14 HA LEU 14 3.212 -0.029 -1.054 111 1HB LEU 14 2HB LEU 14 4.791 2.167 0.256 112 2HB LEU 14 1HB LEU 14 5.507 0.657 -0.278 113 HG LEU 14 HG LEU 14 3.909 2.233 -2.237 114 1HD1 LEU 14 1HD1 LEU 14 5.429 3.829 -1.047 115 2HD1 LEU 14 2HD1 LEU 14 6.784 2.870 -1.645 116 3HD1 LEU 14 3HD1 LEU 14 5.702 3.672 -2.782 117 1HD2 LEU 14 1HD2 LEU 14 5.937 1.372 -3.631 118 2HD2 LEU 14 2HD2 LEU 14 6.148 0.266 -2.273 119 3HD2 LEU 14 3HD2 LEU 14 4.635 0.271 -3.179 120 H LYS 15 H LYS 15 1.428 -0.490 0.865 121 HA LYS 15 HA LYS 15 3.058 -1.692 3.003 122 1HB LYS 15 2HB LYS 15 0.985 -0.041 3.455 123 2HB LYS 15 1HB LYS 15 0.104 -1.556 3.305 124 1HG LYS 15 2HG LYS 15 0.614 -1.109 5.621 125 2HG LYS 15 1HG LYS 15 1.499 -2.531 5.070 126 1HD LYS 15 2HD LYS 15 3.366 -1.579 5.814 127 2HD LYS 15 1HD LYS 15 3.181 -0.355 4.556 128 1HE LYS 15 2HE LYS 15 1.511 0.098 6.914 129 2HE LYS 15 1HE LYS 15 3.243 0.134 7.247 130 1HZ LYS 15 1HZ LYS 15 1.646 1.891 5.507 131 2HZ LYS 15 2HZ LYS 15 3.292 1.657 5.168 132 3HZ LYS 15 3HZ LYS 15 2.820 2.298 6.662 133 H TYR 16 H TYR 16 2.600 -3.909 3.502 134 HA TYR 16 HA TYR 16 1.612 -5.332 1.151 135 1HB TYR 16 2HB TYR 16 3.441 -6.049 3.419 136 2HB TYR 16 1HB TYR 16 2.727 -7.305 2.411 137 HD1 TYR 16 1HD TYR 16 5.343 -4.873 2.698 138 HD2 TYR 16 2HD TYR 16 3.137 -7.205 -0.095 139 HE1 TYR 16 1HE TYR 16 7.116 -4.541 1.032 140 HE2 TYR 16 2HE TYR 16 4.908 -6.871 -1.773 141 HH TYR 16 HH TYR 16 6.751 -5.682 -2.294 142 H MET 17 H MET 17 -0.205 -6.424 1.120 143 HA MET 17 HA MET 17 -1.670 -6.844 3.632 144 1HB MET 17 2HB MET 17 -2.909 -7.390 0.981 145 2HB MET 17 1HB MET 17 -3.637 -6.739 2.443 146 1HG MET 17 2HG MET 17 -1.621 -5.074 1.053 147 2HG MET 17 1HG MET 17 -3.199 -5.265 0.285 148 1HE MET 17 1HE MET 17 -2.288 -1.982 2.887 149 2HE MET 17 2HE MET 17 -1.137 -3.319 2.847 150 3HE MET 17 3HE MET 17 -1.718 -2.608 1.342 151 H LYS 18 H LYS 18 -2.254 -8.869 4.306 152 HA LYS 18 HA LYS 18 -0.677 -11.016 3.259 153 1HB LYS 18 2HB LYS 18 -1.279 -10.575 5.707 154 2HB LYS 18 1HB LYS 18 -2.839 -11.294 5.333 155 1HG LYS 18 2HG LYS 18 -1.916 -13.241 5.873 156 2HG LYS 18 1HG LYS 18 -1.048 -13.134 4.340 157 1HD LYS 18 2HD LYS 18 0.276 -11.576 6.373 158 2HD LYS 18 1HD LYS 18 0.049 -13.241 6.908 159 1HE LYS 18 2HE LYS 18 1.392 -12.326 4.365 160 2HE LYS 18 1HE LYS 18 2.176 -13.027 5.779 161 1HZ LYS 18 1HZ LYS 18 1.060 -15.098 5.380 162 2HZ LYS 18 2HZ LYS 18 1.861 -14.626 3.960 163 3HZ LYS 18 3HZ LYS 18 0.183 -14.438 4.086 164 H SER 19 H SER 19 -4.045 -10.098 3.015 165 HA SER 19 HA SER 19 -4.483 -12.465 1.325 166 1HB SER 19 2HB SER 19 -6.780 -11.167 2.734 167 2HB SER 19 1HB SER 19 -6.575 -12.846 2.232 168 HG SER 19 HG SER 19 -5.273 -13.219 3.964 169 H ARG 20 H ARG 20 -5.854 -12.240 -0.461 170 HA ARG 20 HA ARG 20 -5.550 -9.880 -1.940 171 1HB ARG 20 2HB ARG 20 -6.126 -12.378 -2.625 172 2HB ARG 20 1HB ARG 20 -7.774 -11.769 -2.571 173 1HG ARG 20 2HG ARG 20 -7.392 -10.243 -4.296 174 2HG ARG 20 1HG ARG 20 -5.640 -10.382 -4.142 175 1HD ARG 20 2HD ARG 20 -7.294 -12.764 -4.876 176 2HD ARG 20 1HD ARG 20 -6.840 -11.579 -6.100 177 HE ARG 20 HE ARG 20 -4.806 -12.925 -4.438 178 1HH1 ARG 20 2HH1 ARG 20 -6.105 -12.040 -7.574 179 2HH1 ARG 20 1HH1 ARG 20 -4.734 -12.652 -8.458 180 1HH2 ARG 20 2HH2 ARG 20 -2.991 -13.702 -5.587 181 2HH2 ARG 20 1HH2 ARG 20 -2.936 -13.550 -7.318 182 H THR 21 H THR 21 -8.310 -11.147 -0.117 183 HA THR 21 HA THR 21 -10.169 -9.182 -0.854 184 HB THR 21 HB THR 21 -10.738 -11.327 0.299 185 HG1 THR 21 1HG THR 21 -12.049 -9.218 0.275 186 1HG2 THR 21 1HG2 THR 21 -9.175 -10.084 2.439 187 2HG2 THR 21 2HG2 THR 21 -9.576 -11.779 2.166 188 3HG2 THR 21 3HG2 THR 21 -10.732 -10.720 2.972 189 H ILE 22 H ILE 22 -7.547 -9.098 1.414 190 HA ILE 22 HA ILE 22 -8.411 -6.750 2.809 191 HB ILE 22 HB ILE 22 -5.697 -8.061 2.588 192 1HG1 ILE 22 2HG1 ILE 22 -7.621 -7.975 4.916 193 1HG2 ILE 22 1HG2 ILE 22 -6.064 -5.468 3.194 194 2HG2 ILE 22 2HG2 ILE 22 -6.250 -6.196 4.790 195 3HG2 ILE 22 3HG2 ILE 22 -4.771 -6.461 3.868 196 1HD1 ILE 22 1HD1 ILE 22 -6.156 -9.132 6.118 197 2HD1 ILE 22 2HD1 ILE 22 -5.747 -10.184 4.764 198 3HD1 ILE 22 3HD1 ILE 22 -4.954 -8.617 4.935 199 H LEU 23 H LEU 23 -5.979 -7.452 0.321 200 HA LEU 23 HA LEU 23 -5.145 -4.844 -0.210 201 1HB LEU 23 2HB LEU 23 -4.274 -7.152 -1.046 202 2HB LEU 23 1HB LEU 23 -5.413 -6.930 -2.355 203 HG LEU 23 HG LEU 23 -2.805 -6.147 -2.398 204 1HD1 LEU 23 1HD1 LEU 23 -3.718 -4.556 -4.271 205 2HD1 LEU 23 2HD1 LEU 23 -3.810 -6.310 -4.429 206 3HD1 LEU 23 3HD1 LEU 23 -5.231 -5.395 -3.926 207 1HD2 LEU 23 1HD2 LEU 23 -2.918 -4.355 -0.896 208 2HD2 LEU 23 2HD2 LEU 23 -2.970 -3.616 -2.495 209 3HD2 LEU 23 3HD2 LEU 23 -4.452 -3.787 -1.554 210 H GLN 24 H GLN 24 -7.763 -6.732 -1.639 211 HA GLN 24 HA GLN 24 -8.536 -4.923 -3.621 212 1HB GLN 24 2HB GLN 24 -9.911 -7.151 -2.173 213 2HB GLN 24 1HB GLN 24 -10.839 -6.123 -3.255 214 1HG GLN 24 2HG GLN 24 -8.300 -7.297 -4.254 215 2HG GLN 24 1HG GLN 24 -9.708 -8.345 -4.089 216 1HE2 GLN 24 1HE2 GLN 24 -8.182 -5.922 -5.932 217 2HE2 GLN 24 2HE2 GLN 24 -9.419 -5.745 -7.138 218 H GLN 25 H GLN 25 -9.810 -5.314 -0.319 219 HA GLN 25 HA GLN 25 -11.666 -3.165 -0.623 220 1HB GLN 25 2HB GLN 25 -10.745 -4.849 1.684 221 2HB GLN 25 1HB GLN 25 -11.771 -3.446 1.957 222 1HG GLN 25 2HG GLN 25 -13.540 -4.369 0.697 223 2HG GLN 25 1HG GLN 25 -12.503 -5.627 0.027 224 1HE2 GLN 25 1HE2 GLN 25 -11.438 -7.000 1.811 225 2HE2 GLN 25 2HE2 GLN 25 -12.516 -7.563 3.044 226 H HIS 26 H HIS 26 -8.455 -3.494 0.764 227 HA HIS 26 HA HIS 26 -8.334 -1.010 2.072 228 1HB HIS 26 2HB HIS 26 -6.708 -2.638 2.652 229 2HB HIS 26 1HB HIS 26 -6.218 -2.860 0.979 230 HD1 HIS 26 1HD HIS 26 -5.327 -1.021 4.028 231 HD2 HIS 26 2HD HIS 26 -4.763 -0.567 -0.080 232 HE1 HIS 26 1HE HIS 26 -3.454 0.681 3.725 233 H MET 27 H MET 27 -7.556 -1.960 -1.242 234 HA MET 27 HA MET 27 -6.274 0.411 -2.005 235 1HB MET 27 2HB MET 27 -7.585 -1.834 -3.462 236 2HB MET 27 1HB MET 27 -7.199 -0.374 -4.363 237 1HG MET 27 2HG MET 27 -4.847 -0.628 -3.373 238 2HG MET 27 1HG MET 27 -5.347 -2.269 -2.976 239 1HE MET 27 1HE MET 27 -2.774 -2.298 -5.040 240 2HE MET 27 2HE MET 27 -3.125 -1.304 -6.454 241 3HE MET 27 3HE MET 27 -3.221 -0.603 -4.839 242 H LYS 28 H LYS 28 -9.556 -0.144 -1.349 243 HA LYS 28 HA LYS 28 -10.562 1.965 -3.060 244 1HB LYS 28 2HB LYS 28 -12.052 0.656 -0.793 245 2HB LYS 28 1HB LYS 28 -12.717 1.442 -2.217 246 1HG LYS 28 2HG LYS 28 -11.343 -1.221 -2.041 247 2HG LYS 28 1HG LYS 28 -13.000 -0.871 -2.542 248 1HD LYS 28 2HD LYS 28 -11.707 0.590 -4.354 249 2HD LYS 28 1HD LYS 28 -10.457 -0.617 -4.041 250 1HE LYS 28 2HE LYS 28 -12.246 -2.362 -4.412 251 2HE LYS 28 1HE LYS 28 -13.268 -1.061 -5.017 252 1HZ LYS 28 1HZ LYS 28 -11.372 -0.563 -6.591 253 2HZ LYS 28 2HZ LYS 28 -12.244 -1.984 -6.896 254 3HZ LYS 28 3HZ LYS 28 -10.727 -2.070 -6.150 255 H LYS 29 H LYS 29 -9.422 1.588 0.187 256 HA LYS 29 HA LYS 29 -10.464 4.187 0.977 257 1HB LYS 29 2HB LYS 29 -9.936 3.672 3.172 258 2HB LYS 29 1HB LYS 29 -10.363 2.106 2.501 259 1HG LYS 29 2HG LYS 29 -8.383 1.287 3.022 260 2HG LYS 29 1HG LYS 29 -7.561 2.581 2.152 261 1HD LYS 29 2HD LYS 29 -6.771 2.978 4.256 262 2HD LYS 29 1HD LYS 29 -8.232 3.966 4.297 263 1HE LYS 29 2HE LYS 29 -9.421 2.010 5.309 264 2HE LYS 29 1HE LYS 29 -7.862 1.192 5.417 265 1HZ LYS 29 1HZ LYS 29 -7.101 3.186 6.729 266 2HZ LYS 29 2HZ LYS 29 -8.231 2.181 7.499 267 3HZ LYS 29 3HZ LYS 29 -8.730 3.653 6.818 268 H CYS 30 H CYS 30 -7.524 2.712 -0.074 269 HA CYS 30 HA CYS 30 -5.847 4.940 0.646 270 1HB CYS 30 2HB CYS 30 -5.435 2.290 -0.107 271 2HB CYS 30 1HB CYS 30 -4.835 3.221 -1.469 272 H GLY 31 H GLY 31 -7.027 3.552 -2.410 273 1HA GLY 31 1HA GLY 31 -6.662 6.156 -3.729 274 2HA GLY 31 2HA GLY 31 -7.003 4.626 -4.541 275 H TRP 32 H TRP 32 -8.428 6.772 -2.108 276 HA TRP 32 HA TRP 32 -11.045 5.825 -2.365 277 1HB TRP 32 2HB TRP 32 -9.702 7.823 -0.853 278 2HB TRP 32 1HB TRP 32 -11.106 8.578 -1.599 279 HD1 TRP 32 HD TRP 32 -10.134 6.572 1.325 280 HE1 TRP 32 1HE TRP 32 -12.209 5.713 2.574 281 HE3 TRP 32 3HE TRP 32 -13.677 7.584 -2.213 282 HZ2 TRP 32 2HZ TRP 32 -14.980 5.487 2.120 283 HZ3 TRP 32 3HZ TRP 32 -16.022 7.015 -1.726 284 HH2 TRP 32 HH TRP 32 -16.657 5.987 0.398 285 H PHE 33 H PHE 33 -9.397 8.501 -3.970 286 HA PHE 33 HA PHE 33 -11.690 8.678 -5.808 287 1HB PHE 33 2HB PHE 33 -10.613 10.742 -4.154 288 2HB PHE 33 1HB PHE 33 -10.249 11.138 -5.837 289 HD1 PHE 33 1HD PHE 33 -11.938 11.869 -7.308 290 HD2 PHE 33 2HD PHE 33 -12.975 10.367 -3.465 291 HE1 PHE 33 1HE PHE 33 -14.237 12.690 -7.613 292 HE2 PHE 33 2HE PHE 33 -15.280 11.176 -3.766 293 HZ PHE 33 HZ PHE 33 -15.910 12.339 -5.842 Start of MODEL 6 1 1H GLY 1 1H GLY 1 10.262 -20.089 6.481 2 2H GLY 1 2H GLY 1 9.912 -18.437 6.626 3 3H GLY 1 3H GLY 1 9.584 -19.487 7.915 4 1HA GLY 1 2HA GLY 1 11.730 -19.613 8.585 5 2HA GLY 1 1HA GLY 1 12.337 -19.351 6.955 6 H SER 2 H SER 2 13.810 -17.832 8.002 7 HA SER 2 HA SER 2 12.639 -15.378 9.033 8 1HB SER 2 2HB SER 2 15.512 -15.313 8.627 9 2HB SER 2 1HB SER 2 14.594 -15.199 10.129 10 HG SER 2 HG SER 2 14.515 -17.444 10.227 11 H ARG 3 H ARG 3 11.909 -15.758 6.394 12 HA ARG 3 HA ARG 3 13.301 -13.529 5.102 13 1HB ARG 3 2HB ARG 3 12.911 -16.285 3.978 14 2HB ARG 3 1HB ARG 3 12.977 -14.894 2.904 15 1HG ARG 3 2HG ARG 3 15.165 -14.644 4.644 16 2HG ARG 3 1HG ARG 3 15.119 -16.335 4.141 17 1HD ARG 3 2HD ARG 3 15.160 -13.914 2.343 18 2HD ARG 3 1HD ARG 3 16.478 -15.057 2.603 19 HE ARG 3 HE ARG 3 14.664 -16.712 1.679 20 1HH1 ARG 3 2HH1 ARG 3 15.453 -13.489 0.553 21 2HH1 ARG 3 1HH1 ARG 3 14.878 -13.783 -1.061 22 1HH2 ARG 3 2HH2 ARG 3 13.931 -17.103 -0.422 23 2HH2 ARG 3 1HH2 ARG 3 14.028 -15.847 -1.622 24 H LEU 4 H LEU 4 12.031 -12.443 3.496 25 HA LEU 4 HA LEU 4 9.147 -13.030 3.706 26 1HB LEU 4 2HB LEU 4 10.385 -10.734 4.556 27 2HB LEU 4 1HB LEU 4 9.882 -10.293 2.935 28 HG LEU 4 HG LEU 4 7.842 -11.580 4.664 29 1HD1 LEU 4 1HD1 LEU 4 9.023 -8.876 5.166 30 2HD1 LEU 4 2HD1 LEU 4 7.335 -9.221 5.541 31 3HD1 LEU 4 3HD1 LEU 4 8.618 -10.144 6.322 32 1HD2 LEU 4 1HD2 LEU 4 6.458 -10.717 3.149 33 2HD2 LEU 4 2HD2 LEU 4 7.179 -9.116 3.297 34 3HD2 LEU 4 3HD2 LEU 4 7.891 -10.304 2.205 35 HA PRO 5 HA PRO 5 10.039 -13.826 -0.633 36 1HB PRO 5 2HB PRO 5 7.593 -14.940 -1.169 37 2HB PRO 5 1HB PRO 5 8.947 -15.821 -0.455 38 1HG PRO 5 2HG PRO 5 6.573 -14.592 0.885 39 2HG PRO 5 1HG PRO 5 7.353 -16.153 1.199 40 1HD PRO 5 2HD PRO 5 7.780 -14.003 2.765 41 2HD PRO 5 1HD PRO 5 9.054 -15.195 2.437 42 H LYS 6 H LYS 6 6.579 -13.158 -0.248 43 HA LYS 6 HA LYS 6 6.760 -10.529 -1.364 44 1HB LYS 6 2HB LYS 6 5.707 -10.899 -3.455 45 2HB LYS 6 1HB LYS 6 6.986 -12.102 -3.360 46 1HG LYS 6 2HG LYS 6 5.440 -13.599 -3.915 47 2HG LYS 6 1HG LYS 6 4.798 -13.401 -2.283 48 1HD LYS 6 2HD LYS 6 2.910 -12.594 -3.132 49 2HD LYS 6 1HD LYS 6 3.810 -11.261 -3.858 50 1HE LYS 6 2HE LYS 6 4.038 -13.785 -5.317 51 2HE LYS 6 1HE LYS 6 2.392 -13.157 -5.231 52 1HZ LYS 6 1HZ LYS 6 3.012 -11.929 -6.972 53 2HZ LYS 6 2HZ LYS 6 4.668 -12.157 -6.688 54 3HZ LYS 6 3HZ LYS 6 3.823 -10.958 -5.842 55 H LEU 7 H LEU 7 4.581 -9.554 -1.589 56 HA LEU 7 HA LEU 7 2.378 -10.989 -0.377 57 1HB LEU 7 2HB LEU 7 3.970 -9.148 1.159 58 2HB LEU 7 1HB LEU 7 2.352 -8.508 0.960 59 HG LEU 7 HG LEU 7 1.890 -9.683 2.812 60 1HD1 LEU 7 1HD1 LEU 7 0.664 -11.476 2.281 61 2HD1 LEU 7 2HD1 LEU 7 1.168 -11.145 0.624 62 3HD1 LEU 7 3HD1 LEU 7 2.043 -12.332 1.590 63 1HD2 LEU 7 1HD2 LEU 7 3.362 -11.900 3.191 64 2HD2 LEU 7 2HD2 LEU 7 4.479 -10.947 2.215 65 3HD2 LEU 7 3HD2 LEU 7 3.853 -10.293 3.728 66 H TYR 8 H TYR 8 0.484 -9.206 -0.133 67 HA TYR 8 HA TYR 8 0.114 -8.244 -2.796 68 1HB TYR 8 2HB TYR 8 -1.624 -8.230 -0.322 69 2HB TYR 8 1HB TYR 8 -2.147 -7.776 -1.932 70 HD1 TYR 8 1HD TYR 8 -2.244 -9.495 -3.738 71 HD2 TYR 8 2HD TYR 8 -1.458 -10.502 0.317 72 HE1 TYR 8 1HE TYR 8 -2.760 -11.845 -4.231 73 HE2 TYR 8 2HE TYR 8 -1.969 -12.856 -0.163 74 HH TYR 8 HH TYR 8 -1.901 -14.241 -2.866 75 H LEU 9 H LEU 9 1.701 -6.573 -2.819 76 HA LEU 9 HA LEU 9 1.707 -4.461 -0.925 77 1HB LEU 9 2HB LEU 9 3.645 -5.221 -2.329 78 2HB LEU 9 1HB LEU 9 2.873 -4.465 -3.708 79 HG LEU 9 HG LEU 9 2.981 -2.283 -2.452 80 1HD1 LEU 9 1HD1 LEU 9 4.982 -3.700 -0.717 81 2HD1 LEU 9 2HD1 LEU 9 4.355 -2.057 -0.555 82 3HD1 LEU 9 3HD1 LEU 9 3.308 -3.438 -0.221 83 1HD2 LEU 9 1HD2 LEU 9 5.271 -1.876 -3.035 84 2HD2 LEU 9 2HD2 LEU 9 5.630 -3.604 -2.989 85 3HD2 LEU 9 3HD2 LEU 9 4.562 -2.956 -4.235 86 H CYS 10 H CYS 10 0.450 -2.711 -0.811 87 HA CYS 10 HA CYS 10 -1.664 -2.205 -2.575 88 1HB CYS 10 2HB CYS 10 -2.246 -1.065 -0.736 89 2HB CYS 10 1HB CYS 10 -0.607 -1.135 -0.120 90 H GLU 11 H GLU 11 1.575 -0.896 -2.321 91 HA GLU 11 HA GLU 11 2.953 0.086 -3.813 92 1HB GLU 11 2HB GLU 11 0.684 -0.286 -5.766 93 2HB GLU 11 1HB GLU 11 2.294 0.275 -6.199 94 1HG GLU 11 2HG GLU 11 2.969 -1.971 -4.937 95 2HG GLU 11 1HG GLU 11 1.353 -2.429 -5.471 96 H PHE 12 H PHE 12 0.077 1.460 -2.809 97 HA PHE 12 HA PHE 12 0.828 4.090 -3.921 98 1HB PHE 12 2HB PHE 12 -1.742 3.321 -2.518 99 2HB PHE 12 1HB PHE 12 -1.408 4.840 -3.343 100 HD1 PHE 12 1HD PHE 12 -0.566 4.445 -5.875 101 HD2 PHE 12 2HD PHE 12 -3.074 1.831 -3.637 102 HE1 PHE 12 1HE PHE 12 -1.450 3.509 -7.969 103 HE2 PHE 12 2HE PHE 12 -3.961 0.888 -5.728 104 HZ PHE 12 HZ PHE 12 -3.147 1.728 -7.897 105 H CYS 13 H CYS 13 -0.119 2.449 -0.960 106 HA CYS 13 HA CYS 13 1.231 4.470 0.693 107 1HB CYS 13 2HB CYS 13 -0.053 1.934 1.703 108 2HB CYS 13 1HB CYS 13 0.286 3.414 2.593 109 H LEU 14 H LEU 14 1.586 1.578 -0.970 110 HA LEU 14 HA LEU 14 3.219 0.048 -1.227 111 1HB LEU 14 2HB LEU 14 4.862 2.120 0.216 112 2HB LEU 14 1HB LEU 14 5.531 0.676 -0.518 113 HG LEU 14 HG LEU 14 3.881 2.472 -2.226 114 1HD1 LEU 14 1HD1 LEU 14 6.546 3.150 -1.080 115 2HD1 LEU 14 2HD1 LEU 14 6.157 3.632 -2.731 116 3HD1 LEU 14 3HD1 LEU 14 5.155 4.188 -1.392 117 1HD2 LEU 14 1HD2 LEU 14 6.203 0.611 -2.573 118 2HD2 LEU 14 2HD2 LEU 14 4.608 0.558 -3.329 119 3HD2 LEU 14 3HD2 LEU 14 5.775 1.788 -3.817 120 H LYS 15 H LYS 15 1.473 -0.465 0.743 121 HA LYS 15 HA LYS 15 3.122 -1.622 2.887 122 1HB LYS 15 2HB LYS 15 0.151 -1.046 2.882 123 2HB LYS 15 1HB LYS 15 1.054 -1.754 4.215 124 1HG LYS 15 2HG LYS 15 1.969 0.866 3.175 125 2HG LYS 15 1HG LYS 15 0.470 0.825 4.107 126 1HD LYS 15 2HD LYS 15 2.344 -0.771 5.489 127 2HD LYS 15 1HD LYS 15 3.175 0.717 5.032 128 1HE LYS 15 2HE LYS 15 0.728 0.370 6.727 129 2HE LYS 15 1HE LYS 15 2.231 1.203 7.115 130 1HZ LYS 15 1HZ LYS 15 0.035 2.104 5.349 131 2HZ LYS 15 2HZ LYS 15 1.583 2.792 5.261 132 3HZ LYS 15 3HZ LYS 15 0.692 2.891 6.702 133 H TYR 16 H TYR 16 2.882 -3.785 3.389 134 HA TYR 16 HA TYR 16 1.965 -5.423 1.176 135 1HB TYR 16 2HB TYR 16 3.463 -6.024 3.725 136 2HB TYR 16 1HB TYR 16 2.933 -7.286 2.619 137 HD1 TYR 16 1HD TYR 16 5.649 -5.431 3.551 138 HD2 TYR 16 2HD TYR 16 3.587 -6.650 0.043 139 HE1 TYR 16 1HE TYR 16 7.719 -5.153 2.253 140 HE2 TYR 16 2HE TYR 16 5.649 -6.372 -1.277 141 HH TYR 16 HH TYR 16 7.913 -4.780 -0.846 142 H MET 17 H MET 17 -0.101 -6.007 1.097 143 HA MET 17 HA MET 17 -1.606 -6.408 3.572 144 1HB MET 17 2HB MET 17 -2.548 -6.701 0.712 145 2HB MET 17 1HB MET 17 -3.556 -6.669 2.149 146 1HG MET 17 2HG MET 17 -1.789 -4.350 1.530 147 2HG MET 17 1HG MET 17 -3.314 -4.557 0.674 148 1HE MET 17 1HE MET 17 -1.455 -3.775 3.834 149 2HE MET 17 2HE MET 17 -2.083 -2.259 3.189 150 3HE MET 17 3HE MET 17 -2.631 -2.845 4.759 151 H LYS 18 H LYS 18 -2.445 -8.385 4.182 152 HA LYS 18 HA LYS 18 -0.770 -10.581 3.375 153 1HB LYS 18 2HB LYS 18 -2.538 -9.942 5.628 154 2HB LYS 18 1HB LYS 18 -2.535 -11.642 5.183 155 1HG LYS 18 2HG LYS 18 -0.854 -11.545 6.748 156 2HG LYS 18 1HG LYS 18 0.046 -11.391 5.238 157 1HD LYS 18 2HD LYS 18 -0.741 -8.792 6.021 158 2HD LYS 18 1HD LYS 18 -0.078 -9.592 7.448 159 1HE LYS 18 2HE LYS 18 1.747 -10.318 5.603 160 2HE LYS 18 1HE LYS 18 1.248 -8.759 4.946 161 1HZ LYS 18 1HZ LYS 18 1.916 -7.655 6.881 162 2HZ LYS 18 2HZ LYS 18 3.168 -8.760 6.578 163 3HZ LYS 18 3HZ LYS 18 2.023 -9.087 7.785 164 H SER 19 H SER 19 -4.102 -9.669 2.885 165 HA SER 19 HA SER 19 -4.528 -12.198 1.441 166 1HB SER 19 2HB SER 19 -6.694 -10.581 2.778 167 2HB SER 19 1HB SER 19 -6.792 -12.238 2.177 168 HG SER 19 HG SER 19 -5.298 -12.838 3.816 169 H ARG 20 H ARG 20 -5.954 -12.145 -0.367 170 HA ARG 20 HA ARG 20 -5.567 -9.975 -2.142 171 1HB ARG 20 2HB ARG 20 -6.910 -12.569 -2.141 172 2HB ARG 20 1HB ARG 20 -7.769 -11.364 -3.085 173 1HG ARG 20 2HG ARG 20 -6.163 -11.265 -4.675 174 2HG ARG 20 1HG ARG 20 -4.856 -11.565 -3.527 175 1HD ARG 20 2HD ARG 20 -6.826 -13.650 -4.456 176 2HD ARG 20 1HD ARG 20 -5.220 -13.419 -5.146 177 HE ARG 20 HE ARG 20 -4.320 -13.982 -2.925 178 1HH1 ARG 20 2HH1 ARG 20 -7.605 -14.949 -3.710 179 2HH1 ARG 20 1HH1 ARG 20 -7.628 -16.239 -2.543 180 1HH2 ARG 20 2HH2 ARG 20 -4.365 -15.672 -1.389 181 2HH2 ARG 20 1HH2 ARG 20 -5.798 -16.649 -1.227 182 H THR 21 H THR 21 -8.339 -11.066 -0.242 183 HA THR 21 HA THR 21 -10.200 -9.129 -1.014 184 HB THR 21 HB THR 21 -10.820 -9.685 1.615 185 HG1 THR 21 1HG THR 21 -9.663 -11.348 2.226 186 1HG2 THR 21 1HG2 THR 21 -12.240 -9.986 -0.414 187 2HG2 THR 21 2HG2 THR 21 -12.346 -11.326 0.729 188 3HG2 THR 21 3HG2 THR 21 -11.381 -11.493 -0.738 189 H ILE 22 H ILE 22 -7.849 -9.196 1.624 190 HA ILE 22 HA ILE 22 -8.546 -6.761 2.821 191 HB ILE 22 HB ILE 22 -6.142 -8.532 2.901 192 1HG1 ILE 22 2HG1 ILE 22 -7.808 -7.389 5.145 193 1HG2 ILE 22 1HG2 ILE 22 -6.163 -5.975 4.457 194 2HG2 ILE 22 2HG2 ILE 22 -4.824 -7.081 4.154 195 3HG2 ILE 22 3HG2 ILE 22 -5.439 -6.064 2.852 196 1HD1 ILE 22 1HD1 ILE 22 -5.656 -8.528 5.718 197 2HD1 ILE 22 2HD1 ILE 22 -7.102 -9.253 6.425 198 3HD1 ILE 22 3HD1 ILE 22 -6.334 -10.001 5.024 199 H LEU 23 H LEU 23 -6.248 -7.532 0.241 200 HA LEU 23 HA LEU 23 -5.139 -4.935 0.009 201 1HB LEU 23 2HB LEU 23 -4.463 -7.309 -0.991 202 2HB LEU 23 1HB LEU 23 -5.374 -6.720 -2.365 203 HG LEU 23 HG LEU 23 -2.687 -6.011 -1.442 204 1HD1 LEU 23 1HD1 LEU 23 -3.456 -5.145 -4.079 205 2HD1 LEU 23 2HD1 LEU 23 -2.267 -6.350 -3.583 206 3HD1 LEU 23 3HD1 LEU 23 -3.958 -6.807 -3.774 207 1HD2 LEU 23 1HD2 LEU 23 -4.488 -3.939 -1.190 208 2HD2 LEU 23 2HD2 LEU 23 -2.745 -3.784 -1.404 209 3HD2 LEU 23 3HD2 LEU 23 -3.815 -3.705 -2.804 210 H GLN 24 H GLN 24 -7.734 -6.609 -1.750 211 HA GLN 24 HA GLN 24 -8.312 -4.504 -3.517 212 1HB GLN 24 2HB GLN 24 -9.835 -6.912 -2.592 213 2HB GLN 24 1HB GLN 24 -10.623 -5.714 -3.609 214 1HG GLN 24 2HG GLN 24 -8.497 -7.659 -4.259 215 2HG GLN 24 1HG GLN 24 -9.867 -7.113 -5.220 216 1HE2 GLN 24 1HE2 GLN 24 -6.596 -7.059 -4.974 217 2HE2 GLN 24 2HE2 GLN 24 -6.261 -5.650 -5.923 218 H GLN 25 H GLN 25 -9.700 -5.333 -0.357 219 HA GLN 25 HA GLN 25 -11.599 -3.202 -0.415 220 1HB GLN 25 2HB GLN 25 -12.213 -3.830 1.754 221 2HB GLN 25 1HB GLN 25 -11.713 -5.336 1.001 222 1HG GLN 25 2HG GLN 25 -9.440 -4.912 2.086 223 2HG GLN 25 1HG GLN 25 -10.275 -3.700 3.057 224 1HE2 GLN 25 1HE2 GLN 25 -11.758 -6.669 1.965 225 2HE2 GLN 25 2HE2 GLN 25 -11.898 -7.403 3.528 226 H HIS 26 H HIS 26 -8.250 -3.453 0.432 227 HA HIS 26 HA HIS 26 -8.078 -1.060 1.975 228 1HB HIS 26 2HB HIS 26 -6.225 -2.564 2.155 229 2HB HIS 26 1HB HIS 26 -6.014 -2.622 0.407 230 HD1 HIS 26 1HD HIS 26 -5.187 -0.537 3.419 231 HD2 HIS 26 2HD HIS 26 -4.683 -0.409 -0.723 232 HE1 HIS 26 1HE HIS 26 -3.577 1.370 2.938 233 H MET 27 H MET 27 -7.690 -1.845 -1.453 234 HA MET 27 HA MET 27 -6.876 0.683 -2.329 235 1HB MET 27 2HB MET 27 -8.039 -1.725 -3.616 236 2HB MET 27 1HB MET 27 -8.089 -0.225 -4.531 237 1HG MET 27 2HG MET 27 -5.629 -0.013 -4.125 238 2HG MET 27 1HG MET 27 -5.668 -1.643 -3.459 239 1HE MET 27 1HE MET 27 -5.236 -3.907 -5.917 240 2HE MET 27 2HE MET 27 -3.891 -2.771 -6.012 241 3HE MET 27 3HE MET 27 -4.667 -3.095 -4.461 242 H LYS 28 H LYS 28 -9.909 -0.324 -1.195 243 HA LYS 28 HA LYS 28 -11.470 1.652 -2.608 244 1HB LYS 28 2HB LYS 28 -11.982 -0.452 -0.596 245 2HB LYS 28 1HB LYS 28 -13.016 0.965 -0.480 246 1HG LYS 28 2HG LYS 28 -13.876 -0.953 -1.877 247 2HG LYS 28 1HG LYS 28 -13.894 0.639 -2.633 248 1HD LYS 28 2HD LYS 28 -12.372 0.058 -4.194 249 2HD LYS 28 1HD LYS 28 -11.435 -0.917 -3.062 250 1HE LYS 28 2HE LYS 28 -12.294 -2.744 -3.984 251 2HE LYS 28 1HE LYS 28 -13.888 -2.246 -3.417 252 1HZ LYS 28 1HZ LYS 28 -14.395 -2.219 -5.580 253 2HZ LYS 28 2HZ LYS 28 -12.774 -2.168 -6.076 254 3HZ LYS 28 3HZ LYS 28 -13.566 -0.738 -5.626 255 H LYS 29 H LYS 29 -9.700 1.394 0.375 256 HA LYS 29 HA LYS 29 -10.653 3.984 1.328 257 1HB LYS 29 2HB LYS 29 -10.389 2.386 3.077 258 2HB LYS 29 1HB LYS 29 -8.808 1.897 2.487 259 1HG LYS 29 2HG LYS 29 -8.861 4.711 3.139 260 2HG LYS 29 1HG LYS 29 -9.355 3.713 4.508 261 1HD LYS 29 2HD LYS 29 -7.319 2.375 4.271 262 2HD LYS 29 1HD LYS 29 -6.824 3.366 2.897 263 1HE LYS 29 2HE LYS 29 -7.486 4.891 5.306 264 2HE LYS 29 1HE LYS 29 -6.113 3.800 5.495 265 1HZ LYS 29 1HZ LYS 29 -6.403 5.867 3.375 266 2HZ LYS 29 2HZ LYS 29 -5.082 4.818 3.558 267 3HZ LYS 29 3HZ LYS 29 -5.409 5.982 4.745 268 H CYS 30 H CYS 30 -7.905 2.424 -0.096 269 HA CYS 30 HA CYS 30 -5.967 4.429 0.140 270 1HB CYS 30 2HB CYS 30 -5.799 1.976 -0.713 271 2HB CYS 30 1HB CYS 30 -6.220 2.655 -2.281 272 H GLY 31 H GLY 31 -8.501 3.878 -2.272 273 1HA GLY 31 1HA GLY 31 -7.751 6.180 -3.851 274 2HA GLY 31 2HA GLY 31 -9.178 5.173 -4.079 275 H TRP 32 H TRP 32 -9.394 5.792 -0.960 276 HA TRP 32 HA TRP 32 -11.191 8.053 -1.365 277 1HB TRP 32 2HB TRP 32 -11.060 5.806 0.462 278 2HB TRP 32 1HB TRP 32 -11.273 7.329 1.327 279 HD1 TRP 32 HD TRP 32 -12.877 5.568 -1.739 280 HE1 TRP 32 1HE TRP 32 -15.398 6.088 -1.722 281 HE3 TRP 32 3HE TRP 32 -13.040 8.589 2.380 282 HZ2 TRP 32 2HZ TRP 32 -17.193 7.592 -0.173 283 HZ3 TRP 32 3HZ TRP 32 -15.208 9.530 3.065 284 HH2 TRP 32 HH TRP 32 -17.244 9.037 1.812 285 H PHE 33 H PHE 33 -9.344 9.485 -1.755 286 HA PHE 33 HA PHE 33 -7.828 10.212 0.637 287 1HB PHE 33 2HB PHE 33 -6.522 11.667 -0.919 288 2HB PHE 33 1HB PHE 33 -6.470 9.959 -1.348 289 HD1 PHE 33 1HD PHE 33 -7.426 9.165 -3.385 290 HD2 PHE 33 2HD PHE 33 -7.813 13.255 -2.275 291 HE1 PHE 33 1HE PHE 33 -8.184 9.709 -5.661 292 HE2 PHE 33 2HE PHE 33 -8.570 13.805 -4.549 293 HZ PHE 33 HZ PHE 33 -8.761 12.030 -6.245 Start of MODEL 7 1 1H GLY 1 1H GLY 1 15.852 -9.103 9.700 2 2H GLY 1 2H GLY 1 14.671 -8.499 8.643 3 3H GLY 1 3H GLY 1 16.302 -8.500 8.182 4 1HA GLY 1 2HA GLY 1 16.210 -11.012 8.457 5 2HA GLY 1 1HA GLY 1 14.464 -10.795 8.448 6 H SER 2 H SER 2 17.149 -11.354 6.555 7 HA SER 2 HA SER 2 16.498 -9.943 4.203 8 1HB SER 2 2HB SER 2 17.872 -12.389 3.603 9 2HB SER 2 1HB SER 2 18.505 -10.743 3.613 10 HG SER 2 HG SER 2 19.628 -11.441 5.251 11 H ARG 3 H ARG 3 15.650 -13.172 5.365 12 HA ARG 3 HA ARG 3 14.117 -13.696 2.936 13 1HB ARG 3 2HB ARG 3 15.610 -15.424 4.100 14 2HB ARG 3 1HB ARG 3 14.370 -15.499 5.343 15 1HG ARG 3 2HG ARG 3 13.955 -17.297 3.884 16 2HG ARG 3 1HG ARG 3 12.735 -16.075 3.514 17 1HD ARG 3 2HD ARG 3 14.291 -15.278 1.682 18 2HD ARG 3 1HD ARG 3 15.215 -16.755 1.954 19 HE ARG 3 HE ARG 3 12.561 -17.503 1.595 20 1HH1 ARG 3 2HH1 ARG 3 15.088 -15.937 -0.250 21 2HH1 ARG 3 1HH1 ARG 3 14.548 -16.562 -1.782 22 1HH2 ARG 3 2HH2 ARG 3 11.808 -18.302 -0.413 23 2HH2 ARG 3 1HH2 ARG 3 12.664 -17.899 -1.874 24 H LEU 4 H LEU 4 12.714 -11.822 3.559 25 HA LEU 4 HA LEU 4 10.808 -12.449 5.696 26 1HB LEU 4 2HB LEU 4 11.975 -10.066 4.806 27 2HB LEU 4 1HB LEU 4 10.311 -9.981 4.262 28 HG LEU 4 HG LEU 4 9.527 -10.324 6.562 29 1HD1 LEU 4 1HD1 LEU 4 12.471 -10.407 7.191 30 2HD1 LEU 4 2HD1 LEU 4 11.212 -10.161 8.399 31 3HD1 LEU 4 3HD1 LEU 4 11.269 -11.665 7.480 32 1HD2 LEU 4 1HD2 LEU 4 10.177 -8.045 5.556 33 2HD2 LEU 4 2HD2 LEU 4 9.924 -8.153 7.297 34 3HD2 LEU 4 3HD2 LEU 4 11.563 -8.127 6.643 35 HA PRO 5 HA PRO 5 7.717 -13.958 2.939 36 1HB PRO 5 2HB PRO 5 5.472 -12.877 4.135 37 2HB PRO 5 1HB PRO 5 6.269 -14.367 4.646 38 1HG PRO 5 2HG PRO 5 6.499 -11.611 5.770 39 2HG PRO 5 1HG PRO 5 6.446 -13.170 6.615 40 1HD PRO 5 2HD PRO 5 8.752 -11.833 6.259 41 2HD PRO 5 1HD PRO 5 8.683 -13.607 6.209 42 H LYS 6 H LYS 6 6.854 -13.294 1.063 43 HA LYS 6 HA LYS 6 6.732 -10.398 0.596 44 1HB LYS 6 2HB LYS 6 7.357 -12.754 -1.092 45 2HB LYS 6 1HB LYS 6 6.497 -11.434 -1.874 46 1HG LYS 6 2HG LYS 6 8.400 -10.013 -0.679 47 2HG LYS 6 1HG LYS 6 9.262 -11.546 -0.829 48 1HD LYS 6 2HD LYS 6 9.801 -10.749 -2.865 49 2HD LYS 6 1HD LYS 6 8.196 -11.333 -3.302 50 1HE LYS 6 2HE LYS 6 7.691 -8.835 -2.269 51 2HE LYS 6 1HE LYS 6 9.214 -8.611 -3.126 52 1HZ LYS 6 1HZ LYS 6 8.055 -9.792 -5.041 53 2HZ LYS 6 2HZ LYS 6 7.578 -8.198 -4.706 54 3HZ LYS 6 3HZ LYS 6 6.608 -9.494 -4.203 55 H LEU 7 H LEU 7 4.779 -9.718 1.120 56 HA LEU 7 HA LEU 7 2.417 -11.302 0.590 57 1HB LEU 7 2HB LEU 7 2.973 -8.707 1.979 58 2HB LEU 7 1HB LEU 7 1.338 -9.112 1.526 59 HG LEU 7 HG LEU 7 1.557 -9.732 3.783 60 1HD1 LEU 7 1HD1 LEU 7 1.956 -12.254 2.177 61 2HD1 LEU 7 2HD1 LEU 7 1.207 -12.129 3.768 62 3HD1 LEU 7 3HD1 LEU 7 0.427 -11.396 2.365 63 1HD2 LEU 7 1HD2 LEU 7 4.268 -10.451 2.990 64 2HD2 LEU 7 2HD2 LEU 7 3.638 -9.948 4.557 65 3HD2 LEU 7 3HD2 LEU 7 3.515 -11.635 4.058 66 H TYR 8 H TYR 8 0.729 -8.961 0.177 67 HA TYR 8 HA TYR 8 1.263 -8.521 -2.676 68 1HB TYR 8 2HB TYR 8 -1.292 -7.875 -1.191 69 2HB TYR 8 1HB TYR 8 -1.063 -8.033 -2.932 70 HD1 TYR 8 1HD TYR 8 -1.362 -10.113 -4.000 71 HD2 TYR 8 2HD TYR 8 -1.103 -9.958 0.242 72 HE1 TYR 8 1HE TYR 8 -2.043 -12.472 -3.874 73 HE2 TYR 8 2HE TYR 8 -1.771 -12.316 0.379 74 HH TYR 8 HH TYR 8 -2.941 -14.061 -2.385 75 H LEU 9 H LEU 9 1.541 -6.450 -3.460 76 HA LEU 9 HA LEU 9 1.981 -4.424 -1.381 77 1HB LEU 9 2HB LEU 9 3.652 -5.355 -3.315 78 2HB LEU 9 1HB LEU 9 2.999 -3.937 -4.098 79 HG LEU 9 HG LEU 9 4.297 -3.878 -1.382 80 1HD1 LEU 9 1HD1 LEU 9 5.835 -2.585 -3.401 81 2HD1 LEU 9 2HD1 LEU 9 6.292 -3.926 -2.347 82 3HD1 LEU 9 3HD1 LEU 9 5.522 -4.249 -3.901 83 1HD2 LEU 9 1HD2 LEU 9 4.521 -1.425 -2.624 84 2HD2 LEU 9 2HD2 LEU 9 2.883 -1.958 -3.002 85 3HD2 LEU 9 3HD2 LEU 9 3.409 -1.854 -1.323 86 H CYS 10 H CYS 10 0.571 -2.825 -1.185 87 HA CYS 10 HA CYS 10 -1.525 -2.300 -2.981 88 1HB CYS 10 2HB CYS 10 -2.243 -1.219 -1.160 89 2HB CYS 10 1HB CYS 10 -0.699 -1.495 -0.391 90 H GLU 11 H GLU 11 1.615 -0.872 -2.474 91 HA GLU 11 HA GLU 11 3.032 0.275 -3.783 92 1HB GLU 11 2HB GLU 11 0.970 -0.321 -5.885 93 2HB GLU 11 1HB GLU 11 2.451 0.564 -6.232 94 1HG GLU 11 2HG GLU 11 3.742 -1.368 -5.359 95 2HG GLU 11 1HG GLU 11 2.226 -2.250 -5.187 96 H PHE 12 H PHE 12 0.063 1.419 -2.909 97 HA PHE 12 HA PHE 12 0.646 4.121 -3.929 98 1HB PHE 12 2HB PHE 12 -1.808 3.033 -2.525 99 2HB PHE 12 1HB PHE 12 -1.602 4.707 -3.028 100 HD1 PHE 12 1HD PHE 12 -3.390 1.982 -3.836 101 HD2 PHE 12 2HD PHE 12 -0.583 4.620 -5.665 102 HE1 PHE 12 1HE PHE 12 -4.312 1.439 -6.047 103 HE2 PHE 12 2HE PHE 12 -1.509 4.073 -7.874 104 HZ PHE 12 HZ PHE 12 -3.374 2.481 -8.068 105 H CYS 13 H CYS 13 -0.063 2.319 -0.994 106 HA CYS 13 HA CYS 13 1.295 4.329 0.667 107 1HB CYS 13 2HB CYS 13 0.179 1.713 1.659 108 2HB CYS 13 1HB CYS 13 0.480 3.188 2.566 109 H LEU 14 H LEU 14 1.619 1.442 -1.051 110 HA LEU 14 HA LEU 14 3.293 -0.029 -1.407 111 1HB LEU 14 2HB LEU 14 4.901 2.029 0.095 112 2HB LEU 14 1HB LEU 14 5.604 0.548 -0.525 113 HG LEU 14 HG LEU 14 4.096 2.162 -2.483 114 1HD1 LEU 14 1HD1 LEU 14 6.740 3.220 -2.365 115 2HD1 LEU 14 2HD1 LEU 14 5.199 4.069 -2.262 116 3HD1 LEU 14 3HD1 LEU 14 5.960 3.447 -0.799 117 1HD2 LEU 14 1HD2 LEU 14 5.325 0.065 -2.998 118 2HD2 LEU 14 2HD2 LEU 14 5.843 1.454 -3.952 119 3HD2 LEU 14 3HD2 LEU 14 6.827 0.899 -2.597 120 H LYS 15 H LYS 15 1.468 -0.463 0.564 121 HA LYS 15 HA LYS 15 2.988 -1.640 2.780 122 1HB LYS 15 2HB LYS 15 0.515 -0.202 2.641 123 2HB LYS 15 1HB LYS 15 0.188 -1.825 3.232 124 1HG LYS 15 2HG LYS 15 0.605 -0.187 5.029 125 2HG LYS 15 1HG LYS 15 1.738 -1.540 5.042 126 1HD LYS 15 2HD LYS 15 3.256 0.119 5.253 127 2HD LYS 15 1HD LYS 15 3.104 0.170 3.497 128 1HE LYS 15 2HE LYS 15 1.443 1.954 3.692 129 2HE LYS 15 1HE LYS 15 1.580 1.894 5.448 130 1HZ LYS 15 1HZ LYS 15 3.138 3.366 3.648 131 2HZ LYS 15 2HZ LYS 15 4.149 2.211 4.367 132 3HZ LYS 15 3HZ LYS 15 3.276 3.290 5.338 133 H TYR 16 H TYR 16 2.584 -3.770 3.416 134 HA TYR 16 HA TYR 16 1.771 -5.489 1.216 135 1HB TYR 16 2HB TYR 16 3.527 -5.762 3.588 136 2HB TYR 16 1HB TYR 16 2.707 -7.222 3.042 137 HD1 TYR 16 1HD TYR 16 3.334 -4.880 0.435 138 HD2 TYR 16 2HD TYR 16 5.099 -8.030 2.670 139 HE1 TYR 16 1HE TYR 16 5.002 -5.197 -1.350 140 HE2 TYR 16 2HE TYR 16 6.783 -8.354 0.905 141 HH TYR 16 HH TYR 16 7.399 -6.134 -1.472 142 H MET 17 H MET 17 -0.291 -5.958 1.156 143 HA MET 17 HA MET 17 -1.927 -6.291 3.508 144 1HB MET 17 2HB MET 17 -2.431 -6.817 0.571 145 2HB MET 17 1HB MET 17 -3.637 -7.066 1.821 146 1HG MET 17 2HG MET 17 -4.165 -4.986 0.998 147 2HG MET 17 1HG MET 17 -3.214 -4.609 2.427 148 1HE MET 17 1HE MET 17 -0.862 -5.503 -1.026 149 2HE MET 17 2HE MET 17 -2.572 -5.927 -0.935 150 3HE MET 17 3HE MET 17 -2.058 -4.543 -1.899 151 H LYS 18 H LYS 18 -2.756 -8.258 4.282 152 HA LYS 18 HA LYS 18 -0.974 -10.475 3.939 153 1HB LYS 18 2HB LYS 18 -2.842 -9.624 5.881 154 2HB LYS 18 1HB LYS 18 -3.366 -11.215 5.344 155 1HG LYS 18 2HG LYS 18 -1.946 -11.935 6.919 156 2HG LYS 18 1HG LYS 18 -0.726 -11.659 5.674 157 1HD LYS 18 2HD LYS 18 -1.292 -9.214 7.077 158 2HD LYS 18 1HD LYS 18 -0.867 -10.491 8.220 159 1HE LYS 18 2HE LYS 18 0.964 -10.804 6.177 160 2HE LYS 18 1HE LYS 18 0.797 -9.053 6.323 161 1HZ LYS 18 1HZ LYS 18 1.491 -10.947 8.500 162 2HZ LYS 18 2HZ LYS 18 1.233 -9.283 8.716 163 3HZ LYS 18 3HZ LYS 18 2.532 -9.826 7.767 164 H SER 19 H SER 19 -3.963 -9.538 2.538 165 HA SER 19 HA SER 19 -3.947 -11.971 0.938 166 1HB SER 19 2HB SER 19 -6.549 -10.962 2.074 167 2HB SER 19 1HB SER 19 -6.216 -12.517 1.311 168 HG SER 19 HG SER 19 -4.950 -13.071 3.127 169 H ARG 20 H ARG 20 -5.196 -11.755 -1.050 170 HA ARG 20 HA ARG 20 -4.982 -9.122 -2.194 171 1HB ARG 20 2HB ARG 20 -4.956 -11.654 -3.232 172 2HB ARG 20 1HB ARG 20 -6.579 -11.122 -3.646 173 1HG ARG 20 2HG ARG 20 -5.491 -9.044 -4.611 174 2HG ARG 20 1HG ARG 20 -3.959 -9.907 -4.458 175 1HD ARG 20 2HD ARG 20 -4.398 -10.741 -6.483 176 2HD ARG 20 1HD ARG 20 -5.593 -11.754 -5.675 177 HE ARG 20 HE ARG 20 -7.204 -9.889 -6.167 178 1HH1 ARG 20 2HH1 ARG 20 -4.414 -10.547 -8.188 179 2HH1 ARG 20 1HH1 ARG 20 -5.102 -9.796 -9.601 180 1HH2 ARG 20 2HH2 ARG 20 -8.115 -8.926 -8.025 181 2HH2 ARG 20 1HH2 ARG 20 -7.202 -8.859 -9.501 182 H THR 21 H THR 21 -7.455 -11.137 -0.823 183 HA THR 21 HA THR 21 -9.748 -9.671 -1.575 184 HB THR 21 HB THR 21 -10.356 -10.740 0.872 185 HG1 THR 21 1HG THR 21 -9.091 -12.517 1.206 186 1HG2 THR 21 1HG2 THR 21 -10.183 -12.467 -1.580 187 2HG2 THR 21 2HG2 THR 21 -11.332 -11.134 -1.478 188 3HG2 THR 21 3HG2 THR 21 -11.417 -12.463 -0.319 189 H ILE 22 H ILE 22 -7.375 -9.344 0.984 190 HA ILE 22 HA ILE 22 -8.741 -7.350 2.489 191 HB ILE 22 HB ILE 22 -5.927 -8.378 2.397 192 1HG1 ILE 22 2HG1 ILE 22 -7.801 -8.045 4.739 193 1HG2 ILE 22 1HG2 ILE 22 -4.977 -6.627 3.395 194 2HG2 ILE 22 2HG2 ILE 22 -6.378 -5.705 2.848 195 3HG2 ILE 22 3HG2 ILE 22 -6.351 -6.389 4.475 196 1HD1 ILE 22 1HD1 ILE 22 -5.399 -9.778 4.262 197 2HD1 ILE 22 2HD1 ILE 22 -5.621 -8.550 5.507 198 3HD1 ILE 22 3HD1 ILE 22 -6.550 -10.047 5.570 199 H LEU 23 H LEU 23 -6.361 -7.313 -0.126 200 HA LEU 23 HA LEU 23 -5.886 -4.549 -0.192 201 1HB LEU 23 2HB LEU 23 -4.433 -6.040 -1.373 202 2HB LEU 23 1HB LEU 23 -5.758 -6.649 -2.347 203 HG LEU 23 HG LEU 23 -5.939 -4.493 -3.488 204 1HD1 LEU 23 1HD1 LEU 23 -3.970 -3.677 -1.417 205 2HD1 LEU 23 2HD1 LEU 23 -3.815 -2.974 -3.028 206 3HD1 LEU 23 3HD1 LEU 23 -5.316 -2.781 -2.124 207 1HD2 LEU 23 1HD2 LEU 23 -4.533 -5.494 -4.887 208 2HD2 LEU 23 2HD2 LEU 23 -3.229 -4.611 -4.098 209 3HD2 LEU 23 3HD2 LEU 23 -3.638 -6.242 -3.564 210 H GLN 24 H GLN 24 -8.449 -6.513 -1.545 211 HA GLN 24 HA GLN 24 -9.582 -4.658 -3.303 212 1HB GLN 24 2HB GLN 24 -10.835 -6.863 -1.666 213 2HB GLN 24 1HB GLN 24 -11.735 -5.916 -2.844 214 1HG GLN 24 2HG GLN 24 -9.541 -7.893 -3.292 215 2HG GLN 24 1HG GLN 24 -11.148 -7.824 -4.015 216 1HE2 GLN 24 1HE2 GLN 24 -8.074 -7.586 -4.781 217 2HE2 GLN 24 2HE2 GLN 24 -8.124 -6.410 -6.058 218 H GLN 25 H GLN 25 -9.975 -5.100 0.172 219 HA GLN 25 HA GLN 25 -11.926 -2.983 0.404 220 1HB GLN 25 2HB GLN 25 -10.394 -4.046 2.748 221 2HB GLN 25 1HB GLN 25 -12.064 -3.509 2.664 222 1HG GLN 25 2HG GLN 25 -10.932 -6.096 1.631 223 2HG GLN 25 1HG GLN 25 -12.029 -5.872 2.993 224 1HE2 GLN 25 1HE2 GLN 25 -12.245 -7.424 0.474 225 2HE2 GLN 25 2HE2 GLN 25 -13.738 -6.906 -0.243 226 H HIS 26 H HIS 26 -8.482 -3.439 0.911 227 HA HIS 26 HA HIS 26 -7.870 -1.053 2.211 228 1HB HIS 26 2HB HIS 26 -6.218 -2.821 2.018 229 2HB HIS 26 1HB HIS 26 -6.204 -2.673 0.263 230 HD1 HIS 26 1HD HIS 26 -4.752 -1.185 3.364 231 HD2 HIS 26 2HD HIS 26 -4.865 -0.376 -0.733 232 HE1 HIS 26 1HE HIS 26 -3.046 0.652 2.930 233 H MET 27 H MET 27 -8.097 -1.762 -1.250 234 HA MET 27 HA MET 27 -7.165 0.781 -2.081 235 1HB MET 27 2HB MET 27 -8.385 -1.574 -3.386 236 2HB MET 27 1HB MET 27 -8.447 -0.056 -4.268 237 1HG MET 27 2HG MET 27 -5.843 -0.158 -3.397 238 2HG MET 27 1HG MET 27 -6.204 -1.844 -3.762 239 1HE MET 27 1HE MET 27 -4.581 -1.470 -7.097 240 2HE MET 27 2HE MET 27 -3.917 -0.915 -5.559 241 3HE MET 27 3HE MET 27 -4.851 -2.410 -5.629 242 H LYS 28 H LYS 28 -10.044 -0.059 -0.680 243 HA LYS 28 HA LYS 28 -11.722 1.880 -2.008 244 1HB LYS 28 2HB LYS 28 -11.977 0.027 0.259 245 2HB LYS 28 1HB LYS 28 -12.811 1.559 0.491 246 1HG LYS 28 2HG LYS 28 -14.450 0.291 -0.485 247 2HG LYS 28 1HG LYS 28 -13.748 1.086 -1.896 248 1HD LYS 28 2HD LYS 28 -12.297 -1.312 -1.329 249 2HD LYS 28 1HD LYS 28 -14.022 -1.675 -1.418 250 1HE LYS 28 2HE LYS 28 -14.096 -0.458 -3.592 251 2HE LYS 28 1HE LYS 28 -12.343 -0.305 -3.508 252 1HZ LYS 28 1HZ LYS 28 -12.924 -2.978 -3.078 253 2HZ LYS 28 2HZ LYS 28 -12.203 -2.288 -4.451 254 3HZ LYS 28 3HZ LYS 28 -13.886 -2.497 -4.387 255 H LYS 29 H LYS 29 -9.804 1.682 0.945 256 HA LYS 29 HA LYS 29 -10.144 4.461 1.622 257 1HB LYS 29 2HB LYS 29 -9.699 2.677 3.319 258 2HB LYS 29 1HB LYS 29 -8.090 2.488 2.636 259 1HG LYS 29 2HG LYS 29 -8.238 5.185 3.131 260 2HG LYS 29 1HG LYS 29 -9.114 4.476 4.489 261 1HD LYS 29 2HD LYS 29 -7.256 3.501 5.344 262 2HD LYS 29 1HD LYS 29 -6.580 3.158 3.749 263 1HE LYS 29 2HE LYS 29 -5.280 4.816 5.085 264 2HE LYS 29 1HE LYS 29 -5.814 5.406 3.512 265 1HZ LYS 29 1HZ LYS 29 -6.112 6.804 5.713 266 2HZ LYS 29 2HZ LYS 29 -7.558 5.920 5.803 267 3HZ LYS 29 3HZ LYS 29 -7.231 6.885 4.442 268 H CYS 30 H CYS 30 -7.916 2.450 -0.096 269 HA CYS 30 HA CYS 30 -6.040 4.599 -0.656 270 1HB CYS 30 2HB CYS 30 -5.693 1.927 -0.434 271 2HB CYS 30 1HB CYS 30 -5.939 2.043 -2.173 272 H GLY 31 H GLY 31 -8.733 5.020 -1.385 273 1HA GLY 31 1HA GLY 31 -8.464 5.853 -4.097 274 2HA GLY 31 2HA GLY 31 -9.509 4.437 -3.958 275 H TRP 32 H TRP 32 -8.989 7.464 -2.191 276 HA TRP 32 HA TRP 32 -11.731 7.612 -1.390 277 1HB TRP 32 2HB TRP 32 -9.251 8.872 -0.704 278 2HB TRP 32 1HB TRP 32 -10.468 10.111 -1.002 279 HD1 TRP 32 HD TRP 32 -9.710 7.165 1.325 280 HE1 TRP 32 1HE TRP 32 -11.206 7.360 3.413 281 HE3 TRP 32 3HE TRP 32 -12.634 11.088 -0.156 282 HZ2 TRP 32 2HZ TRP 32 -13.342 8.969 4.296 283 HZ3 TRP 32 3HZ TRP 32 -14.383 11.897 1.376 284 HH2 TRP 32 HH TRP 32 -14.729 10.857 3.556 285 H PHE 33 H PHE 33 -9.747 9.134 -3.845 286 HA PHE 33 HA PHE 33 -12.175 10.339 -4.974 287 1HB PHE 33 2HB PHE 33 -9.455 11.627 -4.664 288 2HB PHE 33 1HB PHE 33 -10.702 12.250 -5.747 289 HD1 PHE 33 1HD PHE 33 -9.489 12.111 -2.368 290 HD2 PHE 33 2HD PHE 33 -12.891 12.996 -4.769 291 HE1 PHE 33 1HE PHE 33 -10.474 13.374 -0.500 292 HE2 PHE 33 2HE PHE 33 -13.883 14.259 -2.906 293 HZ PHE 33 HZ PHE 33 -12.676 14.448 -0.765 Start of MODEL 8 1 1H GLY 1 1H GLY 1 12.682 -21.660 0.891 2 2H GLY 1 2H GLY 1 12.147 -20.065 1.109 3 3H GLY 1 3H GLY 1 11.047 -21.349 1.218 4 1HA GLY 1 2HA GLY 1 12.236 -22.195 3.169 5 2HA GLY 1 1HA GLY 1 13.283 -20.785 3.081 6 H SER 2 H SER 2 12.285 -20.764 5.379 7 HA SER 2 HA SER 2 9.615 -19.649 5.491 8 1HB SER 2 2HB SER 2 11.568 -19.847 7.781 9 2HB SER 2 1HB SER 2 9.804 -19.818 7.845 10 HG SER 2 HG SER 2 9.795 -21.857 6.824 11 H ARG 3 H ARG 3 10.864 -18.001 3.919 12 HA ARG 3 HA ARG 3 11.462 -15.655 5.593 13 1HB ARG 3 2HB ARG 3 13.039 -16.771 3.533 14 2HB ARG 3 1HB ARG 3 12.329 -15.307 2.865 15 1HG ARG 3 2HG ARG 3 13.142 -14.329 5.203 16 2HG ARG 3 1HG ARG 3 14.303 -15.646 5.042 17 1HD ARG 3 2HD ARG 3 14.462 -13.111 3.893 18 2HD ARG 3 1HD ARG 3 15.485 -14.503 3.546 19 HE ARG 3 HE ARG 3 13.015 -13.906 2.037 20 1HH1 ARG 3 2HH1 ARG 3 16.389 -14.848 2.156 21 2HH1 ARG 3 1HH1 ARG 3 16.484 -15.170 0.446 22 1HH2 ARG 3 2HH2 ARG 3 13.142 -14.318 -0.189 23 2HH2 ARG 3 1HH2 ARG 3 14.654 -14.809 -0.901 24 H LEU 4 H LEU 4 10.320 -13.796 5.127 25 HA LEU 4 HA LEU 4 7.812 -14.176 3.833 26 1HB LEU 4 2HB LEU 4 8.983 -12.297 5.617 27 2HB LEU 4 1HB LEU 4 8.338 -11.409 4.251 28 HG LEU 4 HG LEU 4 6.427 -13.368 5.176 29 1HD1 LEU 4 1HD1 LEU 4 7.527 -13.101 7.330 30 2HD1 LEU 4 2HD1 LEU 4 7.384 -11.348 7.201 31 3HD1 LEU 4 3HD1 LEU 4 5.934 -12.343 7.342 32 1HD2 LEU 4 1HD2 LEU 4 6.556 -10.676 4.201 33 2HD2 LEU 4 2HD2 LEU 4 5.182 -11.781 4.254 34 3HD2 LEU 4 3HD2 LEU 4 5.537 -10.746 5.638 35 HA PRO 5 HA PRO 5 9.360 -12.885 -0.149 36 1HB PRO 5 2HB PRO 5 6.994 -13.861 -1.372 37 2HB PRO 5 1HB PRO 5 8.532 -14.707 -1.216 38 1HG PRO 5 2HG PRO 5 6.139 -15.426 0.030 39 2HG PRO 5 1HG PRO 5 7.754 -16.006 0.471 40 1HD PRO 5 2HD PRO 5 6.100 -13.856 1.719 41 2HD PRO 5 1HD PRO 5 7.211 -15.017 2.479 42 H LYS 6 H LYS 6 7.370 -12.273 -2.134 43 HA LYS 6 HA LYS 6 6.657 -9.590 -1.307 44 1HB LYS 6 2HB LYS 6 5.997 -9.224 -3.589 45 2HB LYS 6 1HB LYS 6 7.531 -10.077 -3.598 46 1HG LYS 6 2HG LYS 6 6.642 -11.569 -4.965 47 2HG LYS 6 1HG LYS 6 5.550 -12.059 -3.667 48 1HD LYS 6 2HD LYS 6 3.805 -10.827 -4.484 49 2HD LYS 6 1HD LYS 6 4.861 -9.634 -5.243 50 1HE LYS 6 2HE LYS 6 4.783 -10.702 -7.187 51 2HE LYS 6 1HE LYS 6 5.245 -12.226 -6.427 52 1HZ LYS 6 1HZ LYS 6 3.183 -12.953 -6.647 53 2HZ LYS 6 2HZ LYS 6 2.769 -11.526 -7.470 54 3HZ LYS 6 3HZ LYS 6 2.569 -11.627 -5.787 55 H LEU 7 H LEU 7 4.452 -8.799 -1.473 56 HA LEU 7 HA LEU 7 2.433 -10.894 -1.050 57 1HB LEU 7 2HB LEU 7 3.340 -8.776 0.753 58 2HB LEU 7 1HB LEU 7 1.607 -8.798 0.537 59 HG LEU 7 HG LEU 7 1.924 -10.105 2.422 60 1HD1 LEU 7 1HD1 LEU 7 1.139 -11.404 0.049 61 2HD1 LEU 7 2HD1 LEU 7 2.112 -12.555 0.964 62 3HD1 LEU 7 3HD1 LEU 7 0.697 -11.808 1.707 63 1HD2 LEU 7 1HD2 LEU 7 3.741 -12.090 2.048 64 2HD2 LEU 7 2HD2 LEU 7 4.481 -10.764 1.151 65 3HD2 LEU 7 3HD2 LEU 7 4.075 -10.557 2.855 66 H TYR 8 H TYR 8 0.290 -9.278 -0.596 67 HA TYR 8 HA TYR 8 -0.169 -8.049 -3.193 68 1HB TYR 8 2HB TYR 8 -2.168 -8.136 -0.940 69 2HB TYR 8 1HB TYR 8 -2.464 -8.126 -2.681 70 HD1 TYR 8 1HD TYR 8 -2.502 -10.165 -3.935 71 HD2 TYR 8 2HD TYR 8 -1.391 -10.209 0.169 72 HE1 TYR 8 1HE TYR 8 -2.647 -12.620 -3.925 73 HE2 TYR 8 2HE TYR 8 -1.520 -12.656 0.188 74 HH TYR 8 HH TYR 8 -2.984 -14.446 -2.301 75 H LEU 9 H LEU 9 1.019 -6.243 -3.170 76 HA LEU 9 HA LEU 9 1.101 -4.591 -0.814 77 1HB LEU 9 2HB LEU 9 3.187 -4.988 -1.731 78 2HB LEU 9 1HB LEU 9 2.617 -4.809 -3.375 79 HG LEU 9 HG LEU 9 2.321 -2.283 -2.126 80 1HD1 LEU 9 1HD1 LEU 9 3.967 -3.245 -0.481 81 2HD1 LEU 9 2HD1 LEU 9 5.112 -3.359 -1.816 82 3HD1 LEU 9 3HD1 LEU 9 4.494 -1.784 -1.317 83 1HD2 LEU 9 1HD2 LEU 9 2.734 -2.734 -4.504 84 2HD2 LEU 9 2HD2 LEU 9 3.913 -1.605 -3.835 85 3HD2 LEU 9 3HD2 LEU 9 4.361 -3.290 -4.104 86 H CYS 10 H CYS 10 0.291 -2.577 -0.557 87 HA CYS 10 HA CYS 10 -1.490 -1.482 -2.537 88 1HB CYS 10 2HB CYS 10 -2.153 -1.049 -0.255 89 2HB CYS 10 1HB CYS 10 -0.554 -0.440 0.155 90 H GLU 11 H GLU 11 -0.776 -0.287 -4.120 91 HA GLU 11 HA GLU 11 1.978 0.385 -4.342 92 1HB GLU 11 2HB GLU 11 -0.420 0.605 -6.065 93 2HB GLU 11 1HB GLU 11 0.909 1.702 -6.418 94 1HG GLU 11 2HG GLU 11 2.293 0.038 -7.095 95 2HG GLU 11 1HG GLU 11 1.563 -1.157 -6.022 96 H PHE 12 H PHE 12 -0.462 1.880 -2.692 97 HA PHE 12 HA PHE 12 0.617 4.574 -3.168 98 1HB PHE 12 2HB PHE 12 -1.821 4.081 -1.504 99 2HB PHE 12 1HB PHE 12 -1.413 5.476 -2.497 100 HD1 PHE 12 1HD PHE 12 -3.656 2.924 -2.237 101 HD2 PHE 12 2HD PHE 12 -1.049 4.661 -5.118 102 HE1 PHE 12 1HE PHE 12 -5.059 2.028 -4.045 103 HE2 PHE 12 2HE PHE 12 -2.453 3.766 -6.930 104 HZ PHE 12 HZ PHE 12 -4.460 2.446 -6.394 105 H CYS 13 H CYS 13 0.122 2.120 -0.726 106 HA CYS 13 HA CYS 13 1.351 3.825 1.324 107 1HB CYS 13 2HB CYS 13 0.046 1.102 1.463 108 2HB CYS 13 1HB CYS 13 0.830 1.880 2.831 109 H LEU 14 H LEU 14 1.877 1.119 -0.724 110 HA LEU 14 HA LEU 14 3.565 -0.276 -1.128 111 1HB LEU 14 2HB LEU 14 5.070 2.008 0.085 112 2HB LEU 14 1HB LEU 14 5.900 0.500 -0.262 113 HG LEU 14 HG LEU 14 4.270 1.690 -2.441 114 1HD1 LEU 14 1HD1 LEU 14 5.279 3.676 -2.205 115 2HD1 LEU 14 2HD1 LEU 14 6.559 3.024 -1.179 116 3HD1 LEU 14 3HD1 LEU 14 6.660 2.850 -2.931 117 1HD2 LEU 14 1HD2 LEU 14 5.414 0.241 -3.675 118 2HD2 LEU 14 2HD2 LEU 14 6.957 0.813 -3.042 119 3HD2 LEU 14 3HD2 LEU 14 6.046 -0.420 -2.169 120 H LYS 15 H LYS 15 1.947 -0.963 0.819 121 HA LYS 15 HA LYS 15 3.692 -2.150 2.873 122 1HB LYS 15 2HB LYS 15 1.554 -0.450 3.304 123 2HB LYS 15 1HB LYS 15 0.842 -2.040 3.528 124 1HG LYS 15 2HG LYS 15 1.567 -1.280 5.649 125 2HG LYS 15 1HG LYS 15 2.687 -2.545 5.141 126 1HD LYS 15 2HD LYS 15 4.422 -1.090 4.880 127 2HD LYS 15 1HD LYS 15 3.369 0.256 4.438 128 1HE LYS 15 2HE LYS 15 2.939 -0.646 7.166 129 2HE LYS 15 1HE LYS 15 4.601 -0.128 6.881 130 1HZ LYS 15 1HZ LYS 15 2.151 1.469 6.340 131 2HZ LYS 15 2HZ LYS 15 3.733 1.966 5.995 132 3HZ LYS 15 3HZ LYS 15 3.255 1.722 7.603 133 H TYR 16 H TYR 16 3.568 -4.323 3.152 134 HA TYR 16 HA TYR 16 2.281 -5.832 1.073 135 1HB TYR 16 2HB TYR 16 4.171 -6.445 3.310 136 2HB TYR 16 1HB TYR 16 3.328 -7.766 2.514 137 HD1 TYR 16 1HD TYR 16 6.007 -8.154 2.277 138 HD2 TYR 16 2HD TYR 16 3.684 -5.358 0.081 139 HE1 TYR 16 1HE TYR 16 7.703 -8.158 0.495 140 HE2 TYR 16 2HE TYR 16 5.366 -5.353 -1.717 141 HH TYR 16 HH TYR 16 8.210 -6.027 -1.555 142 H MET 17 H MET 17 0.141 -6.114 1.258 143 HA MET 17 HA MET 17 -1.080 -6.749 3.822 144 1HB MET 17 2HB MET 17 -2.342 -6.623 1.090 145 2HB MET 17 1HB MET 17 -3.196 -6.737 2.615 146 1HG MET 17 2HG MET 17 -1.674 -4.531 3.023 147 2HG MET 17 1HG MET 17 -1.988 -4.426 1.294 148 1HE MET 17 1HE MET 17 -4.364 -2.551 4.274 149 2HE MET 17 2HE MET 17 -3.894 -4.110 4.951 150 3HE MET 17 3HE MET 17 -2.678 -3.062 4.225 151 H LYS 18 H LYS 18 -2.005 -8.725 4.325 152 HA LYS 18 HA LYS 18 -0.539 -10.913 3.160 153 1HB LYS 18 2HB LYS 18 -1.855 -10.348 5.673 154 2HB LYS 18 1HB LYS 18 -2.258 -11.960 5.097 155 1HG LYS 18 2HG LYS 18 -0.289 -11.905 6.589 156 2HG LYS 18 1HG LYS 18 0.059 -12.570 4.992 157 1HD LYS 18 2HD LYS 18 1.855 -11.101 5.625 158 2HD LYS 18 1HD LYS 18 0.940 -10.342 4.321 159 1HE LYS 18 2HE LYS 18 1.369 -8.646 5.914 160 2HE LYS 18 1HE LYS 18 -0.329 -9.081 6.088 161 1HZ LYS 18 1HZ LYS 18 0.325 -10.518 7.968 162 2HZ LYS 18 2HZ LYS 18 0.643 -8.876 8.240 163 3HZ LYS 18 3HZ LYS 18 1.909 -9.930 7.841 164 H SER 19 H SER 19 -3.835 -9.812 3.055 165 HA SER 19 HA SER 19 -4.495 -12.158 1.400 166 1HB SER 19 2HB SER 19 -6.596 -10.731 3.003 167 2HB SER 19 1HB SER 19 -6.590 -12.391 2.404 168 HG SER 19 HG SER 19 -5.133 -12.954 3.989 169 H ARG 20 H ARG 20 -5.579 -11.758 -0.509 170 HA ARG 20 HA ARG 20 -5.309 -9.131 -1.530 171 1HB ARG 20 2HB ARG 20 -5.457 -11.571 -2.699 172 2HB ARG 20 1HB ARG 20 -7.063 -10.941 -3.050 173 1HG ARG 20 2HG ARG 20 -5.891 -8.846 -3.883 174 2HG ARG 20 1HG ARG 20 -4.402 -9.784 -3.818 175 1HD ARG 20 2HD ARG 20 -5.194 -11.315 -5.447 176 2HD ARG 20 1HD ARG 20 -6.838 -10.685 -5.335 177 HE ARG 20 HE ARG 20 -4.645 -8.978 -6.319 178 1HH1 ARG 20 2HH1 ARG 20 -7.716 -10.582 -6.835 179 2HH1 ARG 20 1HH1 ARG 20 -8.095 -9.671 -8.270 180 1HH2 ARG 20 2HH2 ARG 20 -5.121 -7.809 -8.229 181 2HH2 ARG 20 1HH2 ARG 20 -6.610 -8.113 -9.070 182 H THR 21 H THR 21 -7.961 -10.793 -0.021 183 HA THR 21 HA THR 21 -10.055 -9.079 -0.916 184 HB THR 21 HB THR 21 -10.937 -9.811 1.518 185 HG1 THR 21 1HG THR 21 -10.026 -11.981 1.859 186 1HG2 THR 21 1HG2 THR 21 -12.101 -11.551 0.460 187 2HG2 THR 21 2HG2 THR 21 -10.772 -11.885 -0.651 188 3HG2 THR 21 3HG2 THR 21 -11.740 -10.425 -0.849 189 H ILE 22 H ILE 22 -7.836 -9.065 1.803 190 HA ILE 22 HA ILE 22 -8.772 -6.751 3.120 191 HB ILE 22 HB ILE 22 -6.201 -8.296 3.112 192 1HG1 ILE 22 2HG1 ILE 22 -7.982 -7.567 5.430 193 1HG2 ILE 22 1HG2 ILE 22 -5.074 -6.408 3.556 194 2HG2 ILE 22 2HG2 ILE 22 -6.534 -5.513 3.985 195 3HG2 ILE 22 3HG2 ILE 22 -5.780 -6.590 5.164 196 1HD1 ILE 22 1HD1 ILE 22 -6.745 -8.929 6.654 197 2HD1 ILE 22 2HD1 ILE 22 -6.806 -10.195 5.429 198 3HD1 ILE 22 3HD1 ILE 22 -5.580 -8.933 5.330 199 H LEU 23 H LEU 23 -6.284 -7.299 0.663 200 HA LEU 23 HA LEU 23 -5.427 -4.616 0.462 201 1HB LEU 23 2HB LEU 23 -4.421 -6.909 -0.390 202 2HB LEU 23 1HB LEU 23 -5.272 -6.480 -1.857 203 HG LEU 23 HG LEU 23 -2.710 -5.616 -0.967 204 1HD1 LEU 23 1HD1 LEU 23 -4.346 -5.683 -3.356 205 2HD1 LEU 23 2HD1 LEU 23 -3.286 -4.275 -3.295 206 3HD1 LEU 23 3HD1 LEU 23 -2.607 -5.898 -3.160 207 1HD2 LEU 23 1HD2 LEU 23 -3.057 -3.150 -1.484 208 2HD2 LEU 23 2HD2 LEU 23 -4.762 -3.430 -1.138 209 3HD2 LEU 23 3HD2 LEU 23 -3.551 -3.708 0.111 210 H GLN 24 H GLN 24 -7.890 -6.495 -1.250 211 HA GLN 24 HA GLN 24 -8.494 -4.593 -3.234 212 1HB GLN 24 2HB GLN 24 -9.535 -7.109 -2.349 213 2HB GLN 24 1HB GLN 24 -10.873 -5.985 -2.548 214 1HG GLN 24 2HG GLN 24 -10.801 -6.730 -4.665 215 2HG GLN 24 1HG GLN 24 -9.554 -5.496 -4.823 216 1HE2 GLN 24 1HE2 GLN 24 -10.278 -8.842 -4.835 217 2HE2 GLN 24 2HE2 GLN 24 -8.685 -9.409 -5.211 218 H GLN 25 H GLN 25 -9.975 -5.227 -0.077 219 HA GLN 25 HA GLN 25 -11.864 -3.144 -0.139 220 1HB GLN 25 2HB GLN 25 -10.541 -4.695 2.067 221 2HB GLN 25 1HB GLN 25 -11.605 -3.347 2.441 222 1HG GLN 25 2HG GLN 25 -13.479 -4.422 1.606 223 2HG GLN 25 1HG GLN 25 -12.527 -5.542 0.632 224 1HE2 GLN 25 1HE2 GLN 25 -12.639 -7.531 1.361 225 2HE2 GLN 25 2HE2 GLN 25 -12.726 -8.014 3.030 226 H HIS 26 H HIS 26 -8.500 -3.278 0.861 227 HA HIS 26 HA HIS 26 -8.373 -0.695 2.005 228 1HB HIS 26 2HB HIS 26 -6.712 -2.364 2.570 229 2HB HIS 26 1HB HIS 26 -6.206 -2.488 0.889 230 HD1 HIS 26 1HD HIS 26 -5.539 -0.611 4.000 231 HD2 HIS 26 2HD HIS 26 -4.851 -0.127 -0.085 232 HE1 HIS 26 1HE HIS 26 -3.820 1.256 3.763 233 H MET 27 H MET 27 -7.318 -1.910 -1.187 234 HA MET 27 HA MET 27 -6.339 0.557 -2.096 235 1HB MET 27 2HB MET 27 -7.036 -2.040 -3.353 236 2HB MET 27 1HB MET 27 -6.882 -0.652 -4.421 237 1HG MET 27 2HG MET 27 -4.624 -0.255 -3.356 238 2HG MET 27 1HG MET 27 -4.799 -1.851 -2.619 239 1HE MET 27 1HE MET 27 -2.764 -0.927 -6.261 240 2HE MET 27 2HE MET 27 -2.994 -0.143 -4.697 241 3HE MET 27 3HE MET 27 -2.106 -1.663 -4.798 242 H LYS 28 H LYS 28 -9.534 -0.695 -1.947 243 HA LYS 28 HA LYS 28 -10.640 1.147 -3.869 244 1HB LYS 28 2HB LYS 28 -11.640 -1.041 -2.152 245 2HB LYS 28 1HB LYS 28 -12.793 0.244 -2.487 246 1HG LYS 28 2HG LYS 28 -12.743 -1.792 -4.039 247 2HG LYS 28 1HG LYS 28 -12.809 -0.187 -4.766 248 1HD LYS 28 2HD LYS 28 -10.071 -0.900 -4.388 249 2HD LYS 28 1HD LYS 28 -10.896 -2.235 -5.195 250 1HE LYS 28 2HE LYS 28 -11.683 -0.785 -6.937 251 2HE LYS 28 1HE LYS 28 -11.072 0.635 -6.092 252 1HZ LYS 28 1HZ LYS 28 -9.751 -0.730 -8.019 253 2HZ LYS 28 2HZ LYS 28 -9.056 -1.356 -6.604 254 3HZ LYS 28 3HZ LYS 28 -9.030 0.313 -6.894 255 H LYS 29 H LYS 29 -9.589 1.359 -0.720 256 HA LYS 29 HA LYS 29 -11.325 3.654 -0.134 257 1HB LYS 29 2HB LYS 29 -10.931 1.627 1.511 258 2HB LYS 29 1HB LYS 29 -9.452 2.500 1.889 259 1HG LYS 29 2HG LYS 29 -11.848 4.171 1.887 260 2HG LYS 29 1HG LYS 29 -11.869 2.881 3.091 261 1HD LYS 29 2HD LYS 29 -9.581 4.808 2.729 262 2HD LYS 29 1HD LYS 29 -10.894 5.047 3.886 263 1HE LYS 29 2HE LYS 29 -10.243 3.217 5.180 264 2HE LYS 29 1HE LYS 29 -9.292 2.516 3.871 265 1HZ LYS 29 1HZ LYS 29 -7.653 3.391 5.171 266 2HZ LYS 29 2HZ LYS 29 -8.599 4.694 5.709 267 3HZ LYS 29 3HZ LYS 29 -7.938 4.712 4.147 268 H CYS 30 H CYS 30 -8.023 2.534 -0.332 269 HA CYS 30 HA CYS 30 -6.722 4.963 0.278 270 1HB CYS 30 2HB CYS 30 -5.893 2.412 -0.097 271 2HB CYS 30 1HB CYS 30 -5.429 3.112 -1.641 272 H GLY 31 H GLY 31 -7.514 3.405 -2.826 273 1HA GLY 31 1HA GLY 31 -6.745 5.791 -4.295 274 2HA GLY 31 2HA GLY 31 -7.314 4.275 -4.986 275 H TRP 32 H TRP 32 -8.722 6.562 -2.657 276 HA TRP 32 HA TRP 32 -11.332 6.363 -3.812 277 1HB TRP 32 2HB TRP 32 -10.411 7.123 -1.380 278 2HB TRP 32 1HB TRP 32 -10.720 8.699 -2.112 279 HD1 TRP 32 HD TRP 32 -12.530 5.513 -0.993 280 HE1 TRP 32 1HE TRP 32 -15.055 6.002 -0.897 281 HE3 TRP 32 3HE TRP 32 -12.520 10.211 -3.013 282 HZ2 TRP 32 2HZ TRP 32 -16.793 8.096 -1.582 283 HZ3 TRP 32 3HZ TRP 32 -14.668 11.395 -3.253 284 HH2 TRP 32 HH TRP 32 -16.764 10.358 -2.547 285 H PHE 33 H PHE 33 -8.755 8.787 -3.888 286 HA PHE 33 HA PHE 33 -9.863 9.849 -6.366 287 1HB PHE 33 2HB PHE 33 -10.397 11.158 -3.999 288 2HB PHE 33 1HB PHE 33 -8.947 11.982 -4.573 289 HD1 PHE 33 1HD PHE 33 -11.934 10.585 -6.327 290 HD2 PHE 33 2HD PHE 33 -9.522 13.994 -5.504 291 HE1 PHE 33 1HE PHE 33 -13.308 11.923 -7.867 292 HE2 PHE 33 2HE PHE 33 -10.893 15.338 -7.041 293 HZ PHE 33 HZ PHE 33 -12.787 14.303 -8.228 Start of MODEL 9 1 1H GLY 1 1H GLY 1 17.856 -15.636 7.494 2 2H GLY 1 2H GLY 1 19.510 -15.960 7.299 3 3H GLY 1 3H GLY 1 18.386 -17.227 7.236 4 1HA GLY 1 2HA GLY 1 19.397 -15.895 5.092 5 2HA GLY 1 1HA GLY 1 17.961 -16.915 5.094 6 H SER 2 H SER 2 18.185 -14.844 3.302 7 HA SER 2 HA SER 2 16.461 -12.733 4.410 8 1HB SER 2 2HB SER 2 17.713 -12.515 1.705 9 2HB SER 2 1HB SER 2 17.379 -11.255 2.894 10 HG SER 2 HG SER 2 19.087 -12.213 4.182 11 H ARG 3 H ARG 3 14.435 -13.566 4.253 12 HA ARG 3 HA ARG 3 13.536 -14.325 1.550 13 1HB ARG 3 2HB ARG 3 13.550 -16.132 3.392 14 2HB ARG 3 1HB ARG 3 12.197 -15.247 4.084 15 1HG ARG 3 2HG ARG 3 11.055 -16.748 2.821 16 2HG ARG 3 1HG ARG 3 11.257 -15.468 1.623 17 1HD ARG 3 2HD ARG 3 11.782 -17.756 0.784 18 2HD ARG 3 1HD ARG 3 13.104 -16.600 0.620 19 HE ARG 3 HE ARG 3 12.993 -18.544 2.846 20 1HH1 ARG 3 2HH1 ARG 3 14.675 -17.013 0.180 21 2HH1 ARG 3 1HH1 ARG 3 16.189 -17.802 0.517 22 1HH2 ARG 3 2HH2 ARG 3 14.969 -19.598 3.289 23 2HH2 ARG 3 1HH2 ARG 3 16.364 -19.248 2.311 24 H LEU 4 H LEU 4 12.057 -13.054 0.692 25 HA LEU 4 HA LEU 4 10.333 -11.471 2.469 26 1HB LEU 4 2HB LEU 4 12.398 -10.382 1.016 27 2HB LEU 4 1HB LEU 4 11.030 -10.157 -0.056 28 HG LEU 4 HG LEU 4 11.602 -8.248 1.540 29 1HD1 LEU 4 1HD1 LEU 4 9.559 -8.193 0.343 30 2HD1 LEU 4 2HD1 LEU 4 8.842 -9.427 1.381 31 3HD1 LEU 4 3HD1 LEU 4 9.180 -7.819 2.025 32 1HD2 LEU 4 1HD2 LEU 4 11.482 -10.242 3.439 33 2HD2 LEU 4 2HD2 LEU 4 11.480 -8.504 3.750 34 3HD2 LEU 4 3HD2 LEU 4 9.954 -9.383 3.645 35 HA PRO 5 HA PRO 5 7.531 -13.715 -0.278 36 1HB PRO 5 2HB PRO 5 5.515 -12.629 1.570 37 2HB PRO 5 1HB PRO 5 5.855 -14.306 1.141 38 1HG PRO 5 2HG PRO 5 6.480 -13.308 3.555 39 2HG PRO 5 1HG PRO 5 7.489 -14.528 2.755 40 1HD PRO 5 2HD PRO 5 7.913 -11.574 2.992 41 2HD PRO 5 1HD PRO 5 9.096 -12.896 3.102 42 H LYS 6 H LYS 6 6.206 -13.040 -1.894 43 HA LYS 6 HA LYS 6 5.973 -10.155 -2.279 44 1HB LYS 6 2HB LYS 6 5.145 -12.302 -4.229 45 2HB LYS 6 1HB LYS 6 5.521 -10.619 -4.567 46 1HG LYS 6 2HG LYS 6 7.665 -12.294 -3.393 47 2HG LYS 6 1HG LYS 6 7.220 -12.576 -5.078 48 1HD LYS 6 2HD LYS 6 8.310 -10.751 -5.733 49 2HD LYS 6 1HD LYS 6 7.445 -9.756 -4.561 50 1HE LYS 6 2HE LYS 6 9.163 -11.029 -2.927 51 2HE LYS 6 1HE LYS 6 10.121 -10.986 -4.407 52 1HZ LYS 6 1HZ LYS 6 9.684 -8.563 -4.495 53 2HZ LYS 6 2HZ LYS 6 10.585 -9.038 -3.138 54 3HZ LYS 6 3HZ LYS 6 8.936 -8.674 -2.975 55 H LEU 7 H LEU 7 4.379 -9.795 -0.704 56 HA LEU 7 HA LEU 7 1.891 -11.195 -0.751 57 1HB LEU 7 2HB LEU 7 3.111 -9.022 0.825 58 2HB LEU 7 1HB LEU 7 1.368 -8.955 0.696 59 HG LEU 7 HG LEU 7 1.724 -10.118 2.674 60 1HD1 LEU 7 1HD1 LEU 7 0.125 -11.458 1.771 61 2HD1 LEU 7 2HD1 LEU 7 1.106 -11.863 0.362 62 3HD1 LEU 7 3HD1 LEU 7 1.420 -12.650 1.909 63 1HD2 LEU 7 1HD2 LEU 7 4.098 -11.165 1.274 64 2HD2 LEU 7 2HD2 LEU 7 3.897 -10.651 2.948 65 3HD2 LEU 7 3HD2 LEU 7 3.333 -12.242 2.441 66 H TYR 8 H TYR 8 0.329 -8.736 -0.222 67 HA TYR 8 HA TYR 8 -0.129 -7.962 -3.021 68 1HB TYR 8 2HB TYR 8 -2.133 -7.793 -0.764 69 2HB TYR 8 1HB TYR 8 -2.445 -7.722 -2.501 70 HD1 TYR 8 1HD TYR 8 -1.841 -9.896 0.358 71 HD2 TYR 8 2HD TYR 8 -2.348 -9.764 -3.860 72 HE1 TYR 8 1HE TYR 8 -2.163 -12.329 0.330 73 HE2 TYR 8 2HE TYR 8 -2.689 -12.194 -3.899 74 HH TYR 8 HH TYR 8 -2.154 -14.171 -1.061 75 H LEU 9 H LEU 9 0.736 -6.095 -3.426 76 HA LEU 9 HA LEU 9 1.351 -4.254 -1.312 77 1HB LEU 9 2HB LEU 9 2.717 -5.017 -3.427 78 2HB LEU 9 1HB LEU 9 1.870 -3.686 -4.193 79 HG LEU 9 HG LEU 9 2.837 -2.105 -2.640 80 1HD1 LEU 9 1HD1 LEU 9 4.799 -3.516 -1.275 81 2HD1 LEU 9 2HD1 LEU 9 3.329 -2.819 -0.590 82 3HD1 LEU 9 3HD1 LEU 9 3.349 -4.505 -1.109 83 1HD2 LEU 9 1HD2 LEU 9 4.139 -2.691 -4.622 84 2HD2 LEU 9 2HD2 LEU 9 5.195 -2.330 -3.259 85 3HD2 LEU 9 3HD2 LEU 9 4.913 -4.003 -3.734 86 H CYS 10 H CYS 10 0.574 -2.243 -0.965 87 HA CYS 10 HA CYS 10 -1.693 -1.294 -2.503 88 1HB CYS 10 2HB CYS 10 -2.015 -0.858 -0.176 89 2HB CYS 10 1HB CYS 10 -0.356 -0.303 0.025 90 H GLU 11 H GLU 11 -1.456 0.189 -4.000 91 HA GLU 11 HA GLU 11 1.142 0.833 -4.960 92 1HB GLU 11 2HB GLU 11 -1.652 1.289 -5.850 93 2HB GLU 11 1HB GLU 11 -0.434 2.393 -6.477 94 1HG GLU 11 2HG GLU 11 0.397 0.862 -7.853 95 2HG GLU 11 1HG GLU 11 0.387 -0.389 -6.615 96 H PHE 12 H PHE 12 -0.574 2.188 -2.487 97 HA PHE 12 HA PHE 12 0.612 4.847 -2.968 98 1HB PHE 12 2HB PHE 12 -1.823 4.308 -1.268 99 2HB PHE 12 1HB PHE 12 -1.233 5.864 -1.845 100 HD1 PHE 12 1HD PHE 12 -3.425 3.143 -2.472 101 HD2 PHE 12 2HD PHE 12 -1.226 6.244 -4.383 102 HE1 PHE 12 1HE PHE 12 -4.865 2.937 -4.455 103 HE2 PHE 12 2HE PHE 12 -2.664 6.044 -6.370 104 HZ PHE 12 HZ PHE 12 -4.489 4.389 -6.406 105 H CYS 13 H CYS 13 -0.044 2.340 -0.568 106 HA CYS 13 HA CYS 13 1.586 3.756 1.423 107 1HB CYS 13 2HB CYS 13 0.135 1.106 1.587 108 2HB CYS 13 1HB CYS 13 0.998 1.876 2.912 109 H LEU 14 H LEU 14 1.525 1.040 -0.704 110 HA LEU 14 HA LEU 14 2.984 -0.501 -1.358 111 1HB LEU 14 2HB LEU 14 5.019 1.481 -0.356 112 2HB LEU 14 1HB LEU 14 5.407 0.052 -1.300 113 HG LEU 14 HG LEU 14 3.398 1.938 -2.421 114 1HD1 LEU 14 1HD1 LEU 14 5.005 3.533 -1.741 115 2HD1 LEU 14 2HD1 LEU 14 6.342 2.510 -2.268 116 3HD1 LEU 14 3HD1 LEU 14 5.266 3.241 -3.461 117 1HD2 LEU 14 1HD2 LEU 14 3.843 -0.040 -3.661 118 2HD2 LEU 14 2HD2 LEU 14 4.611 1.300 -4.515 119 3HD2 LEU 14 3HD2 LEU 14 5.586 0.202 -3.535 120 H LYS 15 H LYS 15 1.757 -0.737 1.087 121 HA LYS 15 HA LYS 15 3.730 -2.128 2.759 122 1HB LYS 15 2HB LYS 15 0.831 -1.535 3.398 123 2HB LYS 15 1HB LYS 15 2.044 -2.172 4.500 124 1HG LYS 15 2HG LYS 15 2.321 0.520 3.204 125 2HG LYS 15 1HG LYS 15 1.441 0.284 4.715 126 1HD LYS 15 2HD LYS 15 3.331 -0.093 5.914 127 2HD LYS 15 1HD LYS 15 4.145 -0.902 4.573 128 1HE LYS 15 2HE LYS 15 5.356 1.061 4.816 129 2HE LYS 15 1HE LYS 15 4.242 1.433 3.502 130 1HZ LYS 15 1HZ LYS 15 3.446 2.077 6.253 131 2HZ LYS 15 2HZ LYS 15 3.028 2.843 4.801 132 3HZ LYS 15 3HZ LYS 15 4.566 3.080 5.469 133 H TYR 16 H TYR 16 3.275 -4.311 3.386 134 HA TYR 16 HA TYR 16 2.056 -5.749 1.190 135 1HB TYR 16 2HB TYR 16 3.764 -6.604 3.521 136 2HB TYR 16 1HB TYR 16 3.063 -7.750 2.379 137 HD1 TYR 16 1HD TYR 16 5.954 -6.028 3.121 138 HD2 TYR 16 2HD TYR 16 3.442 -6.937 -0.185 139 HE1 TYR 16 1HE TYR 16 7.841 -5.645 1.591 140 HE2 TYR 16 2HE TYR 16 5.314 -6.542 -1.727 141 HH TYR 16 HH TYR 16 7.839 -4.918 -1.191 142 H MET 17 H MET 17 -0.029 -6.087 1.263 143 HA MET 17 HA MET 17 -1.463 -6.480 3.748 144 1HB MET 17 2HB MET 17 -2.318 -6.562 0.866 145 2HB MET 17 1HB MET 17 -3.421 -6.826 2.201 146 1HG MET 17 2HG MET 17 -1.818 -4.327 1.724 147 2HG MET 17 1HG MET 17 -3.520 -4.538 1.329 148 1HE MET 17 1HE MET 17 -1.588 -2.946 4.817 149 2HE MET 17 2HE MET 17 -1.367 -2.868 3.069 150 3HE MET 17 3HE MET 17 -2.681 -1.974 3.836 151 H LYS 18 H LYS 18 -2.230 -8.386 4.527 152 HA LYS 18 HA LYS 18 -0.715 -10.660 3.729 153 1HB LYS 18 2HB LYS 18 -2.152 -9.824 6.036 154 2HB LYS 18 1HB LYS 18 -2.734 -11.422 5.588 155 1HG LYS 18 2HG LYS 18 -1.004 -12.031 6.918 156 2HG LYS 18 1HG LYS 18 -0.137 -11.902 5.386 157 1HD LYS 18 2HD LYS 18 -0.341 -9.398 6.906 158 2HD LYS 18 1HD LYS 18 0.607 -10.662 7.690 159 1HE LYS 18 2HE LYS 18 1.447 -10.725 5.053 160 2HE LYS 18 1HE LYS 18 1.244 -9.007 5.393 161 1HZ LYS 18 1HZ LYS 18 2.624 -9.359 7.412 162 2HZ LYS 18 2HZ LYS 18 3.457 -9.613 5.955 163 3HZ LYS 18 3HZ LYS 18 2.939 -10.938 6.877 164 H SER 19 H SER 19 -4.076 -9.744 3.323 165 HA SER 19 HA SER 19 -4.467 -12.232 1.803 166 1HB SER 19 2HB SER 19 -6.758 -10.771 3.069 167 2HB SER 19 1HB SER 19 -6.635 -12.472 2.622 168 HG SER 19 HG SER 19 -4.931 -12.537 4.317 169 H ARG 20 H ARG 20 -5.576 -12.126 -0.121 170 HA ARG 20 HA ARG 20 -5.197 -9.835 -1.681 171 1HB ARG 20 2HB ARG 20 -5.592 -12.360 -2.296 172 2HB ARG 20 1HB ARG 20 -7.276 -11.863 -2.402 173 1HG ARG 20 2HG ARG 20 -6.638 -10.141 -4.043 174 2HG ARG 20 1HG ARG 20 -4.972 -10.717 -3.964 175 1HD ARG 20 2HD ARG 20 -6.255 -11.606 -5.899 176 2HD ARG 20 1HD ARG 20 -5.606 -12.855 -4.839 177 HE ARG 20 HE ARG 20 -7.824 -13.184 -3.955 178 1HH1 ARG 20 2HH1 ARG 20 -7.590 -11.242 -6.865 179 2HH1 ARG 20 1HH1 ARG 20 -9.271 -11.445 -7.289 180 1HH2 ARG 20 2HH2 ARG 20 -10.034 -13.472 -4.508 181 2HH2 ARG 20 1HH2 ARG 20 -10.648 -12.756 -5.974 182 H THR 21 H THR 21 -8.140 -11.128 -0.167 183 HA THR 21 HA THR 21 -9.863 -9.132 -1.180 184 HB THR 21 HB THR 21 -10.230 -11.479 0.171 185 HG1 THR 21 1HG THR 21 -11.666 -10.227 -1.274 186 1HG2 THR 21 1HG2 THR 21 -11.289 -11.118 2.257 187 2HG2 THR 21 2HG2 THR 21 -11.282 -9.366 2.042 188 3HG2 THR 21 3HG2 THR 21 -9.769 -10.228 2.324 189 H ILE 22 H ILE 22 -7.600 -9.152 1.422 190 HA ILE 22 HA ILE 22 -8.704 -6.894 2.819 191 HB ILE 22 HB ILE 22 -6.276 -8.574 3.061 192 1HG1 ILE 22 2HG1 ILE 22 -7.873 -7.267 5.247 193 1HG2 ILE 22 1HG2 ILE 22 -5.554 -6.084 2.894 194 2HG2 ILE 22 2HG2 ILE 22 -6.237 -5.969 4.517 195 3HG2 ILE 22 3HG2 ILE 22 -4.919 -7.095 4.191 196 1HD1 ILE 22 1HD1 ILE 22 -7.464 -9.550 6.285 197 2HD1 ILE 22 2HD1 ILE 22 -6.256 -9.772 5.020 198 3HD1 ILE 22 3HD1 ILE 22 -6.090 -8.445 6.173 199 H LEU 23 H LEU 23 -6.222 -7.457 0.371 200 HA LEU 23 HA LEU 23 -5.268 -4.799 0.267 201 1HB LEU 23 2HB LEU 23 -4.291 -7.024 -0.710 202 2HB LEU 23 1HB LEU 23 -5.229 -6.593 -2.125 203 HG LEU 23 HG LEU 23 -2.630 -5.772 -1.486 204 1HD1 LEU 23 1HD1 LEU 23 -3.043 -4.318 -3.564 205 2HD1 LEU 23 2HD1 LEU 23 -3.193 -6.068 -3.704 206 3HD1 LEU 23 3HD1 LEU 23 -4.639 -5.067 -3.578 207 1HD2 LEU 23 1HD2 LEU 23 -4.630 -3.617 -0.978 208 2HD2 LEU 23 2HD2 LEU 23 -3.118 -3.967 -0.140 209 3HD2 LEU 23 3HD2 LEU 23 -3.089 -3.219 -1.736 210 H GLN 24 H GLN 24 -7.668 -6.529 -1.753 211 HA GLN 24 HA GLN 24 -8.216 -4.289 -3.387 212 1HB GLN 24 2HB GLN 24 -10.297 -5.514 -4.024 213 2HB GLN 24 1HB GLN 24 -8.822 -6.450 -4.203 214 1HG GLN 24 2HG GLN 24 -9.839 -8.057 -3.076 215 2HG GLN 24 1HG GLN 24 -9.679 -7.040 -1.644 216 1HE2 GLN 24 1HE2 GLN 24 -11.485 -6.857 -0.567 217 2HE2 GLN 24 2HE2 GLN 24 -13.087 -6.801 -1.233 218 H GLN 25 H GLN 25 -9.291 -5.182 -0.233 219 HA GLN 25 HA GLN 25 -11.512 -3.348 -0.145 220 1HB GLN 25 2HB GLN 25 -10.116 -5.137 1.766 221 2HB GLN 25 1HB GLN 25 -10.889 -3.719 2.460 222 1HG GLN 25 2HG GLN 25 -12.968 -4.461 1.159 223 2HG GLN 25 1HG GLN 25 -12.133 -6.004 0.982 224 1HE2 GLN 25 1HE2 GLN 25 -13.253 -7.318 2.288 225 2HE2 GLN 25 2HE2 GLN 25 -13.514 -7.040 3.980 226 H HIS 26 H HIS 26 -8.142 -3.393 0.854 227 HA HIS 26 HA HIS 26 -8.136 -0.858 2.091 228 1HB HIS 26 2HB HIS 26 -6.425 -2.467 2.646 229 2HB HIS 26 1HB HIS 26 -5.890 -2.548 0.971 230 HD1 HIS 26 1HD HIS 26 -5.263 -0.754 4.124 231 HD2 HIS 26 2HD HIS 26 -4.654 -0.088 0.053 232 HE1 HIS 26 1HE HIS 26 -3.615 1.179 3.938 233 H MET 27 H MET 27 -6.969 -1.903 -1.108 234 HA MET 27 HA MET 27 -6.028 0.647 -1.806 235 1HB MET 27 2HB MET 27 -6.414 -1.923 -3.227 236 2HB MET 27 1HB MET 27 -6.241 -0.480 -4.217 237 1HG MET 27 2HG MET 27 -4.232 -0.299 -2.290 238 2HG MET 27 1HG MET 27 -4.242 -1.986 -2.809 239 1HE MET 27 1HE MET 27 -3.801 -2.881 -4.798 240 2HE MET 27 2HE MET 27 -4.560 -2.045 -6.150 241 3HE MET 27 3HE MET 27 -2.803 -2.179 -6.072 242 H LYS 28 H LYS 28 -9.194 -0.582 -1.832 243 HA LYS 28 HA LYS 28 -10.137 1.306 -3.832 244 1HB LYS 28 2HB LYS 28 -11.284 -0.952 -2.335 245 2HB LYS 28 1HB LYS 28 -12.385 0.403 -2.558 246 1HG LYS 28 2HG LYS 28 -12.577 -1.294 -4.326 247 2HG LYS 28 1HG LYS 28 -12.112 0.290 -4.949 248 1HD LYS 28 2HD LYS 28 -10.154 -0.470 -5.718 249 2HD LYS 28 1HD LYS 28 -9.826 -1.378 -4.237 250 1HE LYS 28 2HE LYS 28 -11.059 -3.235 -4.990 251 2HE LYS 28 1HE LYS 28 -11.814 -2.314 -6.287 252 1HZ LYS 28 1HZ LYS 28 -9.734 -2.200 -7.440 253 2HZ LYS 28 2HZ LYS 28 -10.045 -3.823 -7.055 254 3HZ LYS 28 3HZ LYS 28 -8.914 -2.939 -6.151 255 H LYS 29 H LYS 29 -9.404 1.201 -0.553 256 HA LYS 29 HA LYS 29 -11.093 3.472 0.151 257 1HB LYS 29 2HB LYS 29 -10.834 1.586 1.752 258 2HB LYS 29 1HB LYS 29 -9.111 1.919 1.829 259 1HG LYS 29 2HG LYS 29 -10.664 4.284 2.404 260 2HG LYS 29 1HG LYS 29 -11.090 2.948 3.475 261 1HD LYS 29 2HD LYS 29 -8.279 2.947 3.235 262 2HD LYS 29 1HD LYS 29 -8.771 4.618 3.518 263 1HE LYS 29 2HE LYS 29 -10.012 3.950 5.486 264 2HE LYS 29 1HE LYS 29 -9.620 2.256 5.189 265 1HZ LYS 29 1HZ LYS 29 -7.272 3.858 5.268 266 2HZ LYS 29 2HZ LYS 29 -7.675 2.502 6.204 267 3HZ LYS 29 3HZ LYS 29 -8.174 4.049 6.691 268 H CYS 30 H CYS 30 -7.741 2.519 -0.215 269 HA CYS 30 HA CYS 30 -6.573 5.045 0.342 270 1HB CYS 30 2HB CYS 30 -5.669 2.458 -0.121 271 2HB CYS 30 1HB CYS 30 -5.098 3.354 -1.519 272 H GLY 31 H GLY 31 -7.281 3.313 -2.684 273 1HA GLY 31 1HA GLY 31 -6.780 5.720 -4.244 274 2HA GLY 31 2HA GLY 31 -7.173 4.123 -4.877 275 H TRP 32 H TRP 32 -8.703 6.536 -2.751 276 HA TRP 32 HA TRP 32 -11.326 5.858 -3.769 277 1HB TRP 32 2HB TRP 32 -10.449 6.834 -1.378 278 2HB TRP 32 1HB TRP 32 -11.059 8.296 -2.149 279 HD1 TRP 32 HD TRP 32 -12.232 4.834 -0.971 280 HE1 TRP 32 1HE TRP 32 -14.799 4.870 -0.748 281 HE3 TRP 32 3HE TRP 32 -13.139 9.484 -2.889 282 HZ2 TRP 32 2HZ TRP 32 -16.902 6.643 -1.300 283 HZ3 TRP 32 3HZ TRP 32 -15.464 10.278 -2.998 284 HH2 TRP 32 HH TRP 32 -17.312 8.882 -2.217 285 H PHE 33 H PHE 33 -9.791 9.049 -3.405 286 HA PHE 33 HA PHE 33 -9.775 9.712 -6.124 287 1HB PHE 33 2HB PHE 33 -12.354 9.930 -4.951 288 2HB PHE 33 1HB PHE 33 -11.748 11.568 -5.189 289 HD1 PHE 33 1HD PHE 33 -10.711 12.039 -7.549 290 HD2 PHE 33 2HD PHE 33 -13.421 8.873 -6.696 291 HE1 PHE 33 1HE PHE 33 -11.307 11.909 -9.931 292 HE2 PHE 33 2HE PHE 33 -14.027 8.742 -9.077 293 HZ PHE 33 HZ PHE 33 -12.965 10.262 -10.699 Start of MODEL 10 1 1H GLY 1 1H GLY 1 10.498 -8.733 -0.328 2 2H GLY 1 2H GLY 1 11.670 -7.537 -0.593 3 3H GLY 1 3H GLY 1 11.410 -8.140 0.970 4 1HA GLY 1 2HA GLY 1 11.978 -10.329 -0.658 5 2HA GLY 1 1HA GLY 1 13.173 -9.087 -1.008 6 H SER 2 H SER 2 14.789 -8.721 0.413 7 HA SER 2 HA SER 2 15.277 -10.513 2.562 8 1HB SER 2 2HB SER 2 16.749 -8.081 2.887 9 2HB SER 2 1HB SER 2 17.331 -9.640 2.304 10 HG SER 2 HG SER 2 17.426 -8.810 0.385 11 H ARG 3 H ARG 3 14.019 -7.251 2.294 12 HA ARG 3 HA ARG 3 13.185 -7.358 5.117 13 1HB ARG 3 2HB ARG 3 13.519 -4.980 3.275 14 2HB ARG 3 1HB ARG 3 12.820 -4.895 4.885 15 1HG ARG 3 2HG ARG 3 15.370 -6.206 4.992 16 2HG ARG 3 1HG ARG 3 15.511 -4.647 4.178 17 1HD ARG 3 2HD ARG 3 14.227 -5.105 6.867 18 2HD ARG 3 1HD ARG 3 15.851 -4.471 6.608 19 HE ARG 3 HE ARG 3 14.296 -2.772 5.188 20 1HH1 ARG 3 2HH1 ARG 3 14.203 -3.917 8.495 21 2HH1 ARG 3 1HH1 ARG 3 13.462 -2.469 9.112 22 1HH2 ARG 3 2HH2 ARG 3 13.337 -0.862 5.988 23 2HH2 ARG 3 1HH2 ARG 3 12.950 -0.738 7.681 24 H LEU 4 H LEU 4 11.132 -7.762 5.442 25 HA LEU 4 HA LEU 4 8.886 -7.948 5.197 26 1HB LEU 4 2HB LEU 4 9.413 -5.932 3.051 27 2HB LEU 4 1HB LEU 4 7.834 -6.688 3.165 28 HG LEU 4 HG LEU 4 8.942 -5.507 5.655 29 1HD1 LEU 4 1HD1 LEU 4 8.688 -3.310 5.092 30 2HD1 LEU 4 2HD1 LEU 4 9.287 -3.944 3.559 31 3HD1 LEU 4 3HD1 LEU 4 7.561 -3.662 3.782 32 1HD2 LEU 4 1HD2 LEU 4 6.701 -6.689 5.344 33 2HD2 LEU 4 2HD2 LEU 4 6.691 -5.129 6.166 34 3HD2 LEU 4 3HD2 LEU 4 6.199 -5.238 4.475 35 HA PRO 5 HA PRO 5 8.820 -11.439 2.506 36 1HB PRO 5 2HB PRO 5 6.007 -11.778 3.174 37 2HB PRO 5 1HB PRO 5 7.390 -12.765 3.654 38 1HG PRO 5 2HG PRO 5 6.001 -11.207 5.396 39 2HG PRO 5 1HG PRO 5 7.722 -11.583 5.591 40 1HD PRO 5 2HD PRO 5 6.431 -9.102 4.528 41 2HD PRO 5 1HD PRO 5 7.844 -9.269 5.595 42 H LYS 6 H LYS 6 7.107 -12.432 0.893 43 HA LYS 6 HA LYS 6 6.476 -10.281 -0.972 44 1HB LYS 6 2HB LYS 6 7.450 -12.877 -1.301 45 2HB LYS 6 1HB LYS 6 5.790 -12.955 -1.876 46 1HG LYS 6 2HG LYS 6 6.389 -10.849 -3.228 47 2HG LYS 6 1HG LYS 6 8.063 -11.307 -2.907 48 1HD LYS 6 2HD LYS 6 7.964 -12.734 -4.606 49 2HD LYS 6 1HD LYS 6 6.727 -13.644 -3.738 50 1HE LYS 6 2HE LYS 6 5.553 -11.317 -4.922 51 2HE LYS 6 1HE LYS 6 6.456 -12.210 -6.145 52 1HZ LYS 6 1HZ LYS 6 4.323 -13.300 -4.385 53 2HZ LYS 6 2HZ LYS 6 5.236 -14.219 -5.480 54 3HZ LYS 6 3HZ LYS 6 4.202 -13.002 -6.053 55 H LEU 7 H LEU 7 4.617 -9.328 -0.425 56 HA LEU 7 HA LEU 7 2.257 -11.052 -0.057 57 1HB LEU 7 2HB LEU 7 3.163 -8.629 1.409 58 2HB LEU 7 1HB LEU 7 1.446 -8.813 1.148 59 HG LEU 7 HG LEU 7 1.733 -9.730 3.245 60 1HD1 LEU 7 1HD1 LEU 7 0.546 -11.489 2.566 61 2HD1 LEU 7 2HD1 LEU 7 1.493 -11.668 1.089 62 3HD1 LEU 7 3HD1 LEU 7 2.071 -12.375 2.598 63 1HD2 LEU 7 1HD2 LEU 7 3.966 -9.768 3.714 64 2HD2 LEU 7 2HD2 LEU 7 3.666 -11.496 3.541 65 3HD2 LEU 7 3HD2 LEU 7 4.385 -10.588 2.210 66 H TYR 8 H TYR 8 0.597 -8.635 0.046 67 HA TYR 8 HA TYR 8 0.459 -8.113 -2.837 68 1HB TYR 8 2HB TYR 8 -1.656 -7.707 -0.703 69 2HB TYR 8 1HB TYR 8 -1.876 -7.498 -2.439 70 HD1 TYR 8 1HD TYR 8 -2.834 -9.222 -3.617 71 HD2 TYR 8 2HD TYR 8 -0.774 -10.124 -0.012 72 HE1 TYR 8 1HE TYR 8 -3.503 -11.572 -3.830 73 HE2 TYR 8 2HE TYR 8 -1.425 -12.473 -0.211 74 HH TYR 8 HH TYR 8 -2.137 -13.994 -2.547 75 H LEU 9 H LEU 9 1.741 -6.381 -3.180 76 HA LEU 9 HA LEU 9 1.919 -4.220 -1.307 77 1HB LEU 9 2HB LEU 9 3.787 -5.022 -2.755 78 2HB LEU 9 1HB LEU 9 2.942 -4.358 -4.139 79 HG LEU 9 HG LEU 9 3.169 -2.103 -3.228 80 1HD1 LEU 9 1HD1 LEU 9 3.150 -2.160 -0.954 81 2HD1 LEU 9 2HD1 LEU 9 4.181 -3.589 -0.868 82 3HD1 LEU 9 3HD1 LEU 9 4.887 -2.015 -1.232 83 1HD2 LEU 9 1HD2 LEU 9 5.734 -3.682 -3.308 84 2HD2 LEU 9 2HD2 LEU 9 4.934 -2.887 -4.664 85 3HD2 LEU 9 3HD2 LEU 9 5.634 -1.921 -3.363 86 H CYS 10 H CYS 10 0.499 -2.627 -1.124 87 HA CYS 10 HA CYS 10 -1.582 -2.136 -2.917 88 1HB CYS 10 2HB CYS 10 -2.299 -1.005 -1.137 89 2HB CYS 10 1HB CYS 10 -0.782 -1.363 -0.348 90 H GLU 11 H GLU 11 1.622 -0.852 -2.612 91 HA GLU 11 HA GLU 11 2.982 0.272 -4.015 92 1HB GLU 11 2HB GLU 11 0.757 -0.443 -5.885 93 2HB GLU 11 1HB GLU 11 2.068 0.596 -6.426 94 1HG GLU 11 2HG GLU 11 3.684 -1.135 -5.810 95 2HG GLU 11 1HG GLU 11 2.355 -2.182 -5.314 96 H PHE 12 H PHE 12 0.255 1.571 -2.826 97 HA PHE 12 HA PHE 12 0.851 4.212 -4.011 98 1HB PHE 12 2HB PHE 12 -1.704 3.260 -2.696 99 2HB PHE 12 1HB PHE 12 -1.414 4.894 -3.280 100 HD1 PHE 12 1HD PHE 12 -0.546 4.947 -5.820 101 HD2 PHE 12 2HD PHE 12 -2.918 1.876 -4.063 102 HE1 PHE 12 1HE PHE 12 -1.349 4.297 -8.054 103 HE2 PHE 12 2HE PHE 12 -3.723 1.223 -6.290 104 HZ PHE 12 HZ PHE 12 -2.941 2.430 -8.290 105 H CYS 13 H CYS 13 -0.166 2.609 -1.034 106 HA CYS 13 HA CYS 13 1.206 4.644 0.583 107 1HB CYS 13 2HB CYS 13 -0.137 2.232 1.759 108 2HB CYS 13 1HB CYS 13 0.075 3.833 2.457 109 H LEU 14 H LEU 14 1.460 1.631 -0.903 110 HA LEU 14 HA LEU 14 3.100 0.103 -1.114 111 1HB LEU 14 2HB LEU 14 4.746 2.098 0.431 112 2HB LEU 14 1HB LEU 14 5.388 0.674 -0.367 113 HG LEU 14 HG LEU 14 3.807 2.539 -2.045 114 1HD1 LEU 14 1HD1 LEU 14 5.792 3.584 -0.392 115 2HD1 LEU 14 2HD1 LEU 14 6.547 3.400 -1.976 116 3HD1 LEU 14 3HD1 LEU 14 5.066 4.342 -1.807 117 1HD2 LEU 14 1HD2 LEU 14 4.631 0.931 -3.393 118 2HD2 LEU 14 2HD2 LEU 14 6.055 1.973 -3.397 119 3HD2 LEU 14 3HD2 LEU 14 5.989 0.575 -2.324 120 H LYS 15 H LYS 15 1.243 -0.149 0.930 121 HA LYS 15 HA LYS 15 2.756 -1.493 3.059 122 1HB LYS 15 2HB LYS 15 0.239 -0.114 2.989 123 2HB LYS 15 1HB LYS 15 -0.042 -1.789 3.443 124 1HG LYS 15 2HG LYS 15 0.347 -0.137 5.323 125 2HG LYS 15 1HG LYS 15 1.316 -1.612 5.351 126 1HD LYS 15 2HD LYS 15 3.263 -0.503 4.823 127 2HD LYS 15 1HD LYS 15 2.417 0.801 3.986 128 1HE LYS 15 2HE LYS 15 3.035 1.912 5.875 129 2HE LYS 15 1HE LYS 15 1.485 1.270 6.416 130 1HZ LYS 15 1HZ LYS 15 2.681 -0.591 7.434 131 2HZ LYS 15 2HZ LYS 15 3.172 0.900 8.074 132 3HZ LYS 15 3HZ LYS 15 4.160 0.094 6.956 133 H TYR 16 H TYR 16 2.174 -3.725 3.550 134 HA TYR 16 HA TYR 16 1.457 -5.175 1.096 135 1HB TYR 16 2HB TYR 16 3.181 -5.868 3.462 136 2HB TYR 16 1HB TYR 16 2.583 -7.112 2.370 137 HD1 TYR 16 1HD TYR 16 5.134 -4.703 2.963 138 HD2 TYR 16 2HD TYR 16 3.138 -6.835 -0.129 139 HE1 TYR 16 1HE TYR 16 7.041 -4.303 1.464 140 HE2 TYR 16 2HE TYR 16 5.035 -6.430 -1.641 141 HH TYR 16 HH TYR 16 7.778 -4.415 -0.648 142 H MET 17 H MET 17 -0.411 -6.210 1.014 143 HA MET 17 HA MET 17 -1.944 -6.597 3.472 144 1HB MET 17 2HB MET 17 -2.800 -7.311 0.665 145 2HB MET 17 1HB MET 17 -3.820 -7.099 2.079 146 1HG MET 17 2HG MET 17 -2.513 -5.046 0.361 147 2HG MET 17 1HG MET 17 -4.184 -5.168 0.904 148 1HE MET 17 1HE MET 17 -2.128 -2.978 0.604 149 2HE MET 17 2HE MET 17 -2.523 -1.876 1.923 150 3HE MET 17 3HE MET 17 -0.992 -2.749 1.934 151 H LYS 18 H LYS 18 -2.695 -8.629 4.154 152 HA LYS 18 HA LYS 18 -0.847 -10.762 3.617 153 1HB LYS 18 2HB LYS 18 -3.351 -10.725 5.315 154 2HB LYS 18 1HB LYS 18 -2.150 -12.008 5.301 155 1HG LYS 18 2HG LYS 18 -1.708 -9.163 6.183 156 2HG LYS 18 1HG LYS 18 -1.847 -10.578 7.229 157 1HD LYS 18 2HD LYS 18 0.332 -10.966 7.017 158 2HD LYS 18 1HD LYS 18 0.156 -11.087 5.266 159 1HE LYS 18 2HE LYS 18 0.865 -8.960 4.909 160 2HE LYS 18 1HE LYS 18 0.156 -8.362 6.409 161 1HZ LYS 18 1HZ LYS 18 2.602 -8.329 6.401 162 2HZ LYS 18 2HZ LYS 18 2.617 -10.021 6.259 163 3HZ LYS 18 3HZ LYS 18 1.968 -9.293 7.646 164 H SER 19 H SER 19 -4.239 -10.109 2.898 165 HA SER 19 HA SER 19 -4.194 -12.385 1.037 166 1HB SER 19 2HB SER 19 -6.728 -11.537 2.392 167 2HB SER 19 1HB SER 19 -6.299 -13.105 1.709 168 HG SER 19 HG SER 19 -4.848 -13.400 3.448 169 H ARG 20 H ARG 20 -5.721 -12.215 -0.736 170 HA ARG 20 HA ARG 20 -5.582 -9.748 -2.077 171 1HB ARG 20 2HB ARG 20 -6.114 -12.298 -2.829 172 2HB ARG 20 1HB ARG 20 -7.732 -11.612 -2.883 173 1HG ARG 20 2HG ARG 20 -7.259 -10.274 -4.648 174 2HG ARG 20 1HG ARG 20 -5.571 -10.067 -4.176 175 1HD ARG 20 2HD ARG 20 -5.738 -12.754 -4.744 176 2HD ARG 20 1HD ARG 20 -6.791 -12.026 -5.957 177 HE ARG 20 HE ARG 20 -4.793 -10.535 -6.440 178 1HH1 ARG 20 2HH1 ARG 20 -4.485 -13.818 -5.235 179 2HH1 ARG 20 1HH1 ARG 20 -2.911 -14.061 -5.943 180 1HH2 ARG 20 2HH2 ARG 20 -2.732 -10.851 -7.367 181 2HH2 ARG 20 1HH2 ARG 20 -1.906 -12.367 -7.127 182 H THR 21 H THR 21 -8.077 -11.243 -0.130 183 HA THR 21 HA THR 21 -10.239 -9.577 -0.649 184 HB THR 21 HB THR 21 -10.443 -10.152 2.042 185 HG1 THR 21 1HG THR 21 -9.591 -12.554 1.635 186 1HG2 THR 21 1HG2 THR 21 -11.873 -11.944 1.363 187 2HG2 THR 21 2HG2 THR 21 -11.044 -12.094 -0.185 188 3HG2 THR 21 3HG2 THR 21 -12.025 -10.669 0.155 189 H ILE 22 H ILE 22 -7.622 -9.250 1.706 190 HA ILE 22 HA ILE 22 -8.525 -6.824 2.840 191 HB ILE 22 HB ILE 22 -5.820 -8.162 2.801 192 1HG1 ILE 22 2HG1 ILE 22 -7.319 -7.715 5.312 193 1HG2 ILE 22 1HG2 ILE 22 -4.842 -6.365 3.653 194 2HG2 ILE 22 2HG2 ILE 22 -6.303 -5.457 3.270 195 3HG2 ILE 22 3HG2 ILE 22 -6.110 -6.184 4.865 196 1HD1 ILE 22 1HD1 ILE 22 -6.404 -9.677 6.004 197 2HD1 ILE 22 2HD1 ILE 22 -6.382 -10.370 4.383 198 3HD1 ILE 22 3HD1 ILE 22 -5.184 -9.159 4.840 199 H LEU 23 H LEU 23 -6.276 -7.622 0.242 200 HA LEU 23 HA LEU 23 -5.260 -5.046 -0.192 201 1HB LEU 23 2HB LEU 23 -4.664 -7.470 -1.156 202 2HB LEU 23 1HB LEU 23 -5.623 -6.890 -2.499 203 HG LEU 23 HG LEU 23 -2.881 -6.281 -1.785 204 1HD1 LEU 23 1HD1 LEU 23 -4.354 -6.881 -4.027 205 2HD1 LEU 23 2HD1 LEU 23 -3.892 -5.193 -4.263 206 3HD1 LEU 23 3HD1 LEU 23 -2.653 -6.413 -3.975 207 1HD2 LEU 23 1HD2 LEU 23 -3.184 -3.863 -2.694 208 2HD2 LEU 23 2HD2 LEU 23 -4.801 -4.019 -2.006 209 3HD2 LEU 23 3HD2 LEU 23 -3.383 -4.201 -0.974 210 H GLN 24 H GLN 24 -8.019 -6.734 -1.601 211 HA GLN 24 HA GLN 24 -8.702 -4.694 -3.443 212 1HB GLN 24 2HB GLN 24 -10.381 -6.899 -2.242 213 2HB GLN 24 1HB GLN 24 -10.895 -5.871 -3.574 214 1HG GLN 24 2HG GLN 24 -8.307 -7.130 -4.026 215 2HG GLN 24 1HG GLN 24 -9.616 -8.283 -3.792 216 1HE2 GLN 24 1HE2 GLN 24 -7.933 -6.854 -6.095 217 2HE2 GLN 24 2HE2 GLN 24 -9.133 -6.701 -7.341 218 H GLN 25 H GLN 25 -9.621 -5.310 -0.097 219 HA GLN 25 HA GLN 25 -11.612 -3.237 -0.077 220 1HB GLN 25 2HB GLN 25 -12.124 -3.913 2.048 221 2HB GLN 25 1HB GLN 25 -11.331 -5.371 1.474 222 1HG GLN 25 2HG GLN 25 -9.197 -4.270 2.484 223 2HG GLN 25 1HG GLN 25 -10.361 -3.322 3.406 224 1HE2 GLN 25 1HE2 GLN 25 -10.711 -6.657 2.359 225 2HE2 GLN 25 2HE2 GLN 25 -10.724 -7.352 3.946 226 H HIS 26 H HIS 26 -8.200 -3.479 0.695 227 HA HIS 26 HA HIS 26 -7.983 -1.020 2.082 228 1HB HIS 26 2HB HIS 26 -6.163 -2.538 2.356 229 2HB HIS 26 1HB HIS 26 -5.948 -2.715 0.618 230 HD1 HIS 26 1HD HIS 26 -4.865 -0.635 3.512 231 HD2 HIS 26 2HD HIS 26 -4.738 -0.445 -0.656 232 HE1 HIS 26 1HE HIS 26 -3.249 1.237 2.914 233 H MET 27 H MET 27 -7.578 -1.919 -1.330 234 HA MET 27 HA MET 27 -6.586 0.558 -2.169 235 1HB MET 27 2HB MET 27 -7.726 -1.813 -3.526 236 2HB MET 27 1HB MET 27 -7.668 -0.321 -4.454 237 1HG MET 27 2HG MET 27 -5.256 -0.154 -3.972 238 2HG MET 27 1HG MET 27 -5.344 -1.702 -3.133 239 1HE MET 27 1HE MET 27 -3.824 -3.304 -4.479 240 2HE MET 27 2HE MET 27 -3.493 -3.021 -6.187 241 3HE MET 27 3HE MET 27 -3.191 -1.745 -5.007 242 H LYS 28 H LYS 28 -9.714 -0.253 -1.216 243 HA LYS 28 HA LYS 28 -11.147 1.722 -2.722 244 1HB LYS 28 2HB LYS 28 -11.728 -0.162 -0.551 245 2HB LYS 28 1HB LYS 28 -12.584 1.367 -0.406 246 1HG LYS 28 2HG LYS 28 -14.018 -0.041 -1.599 247 2HG LYS 28 1HG LYS 28 -13.308 1.032 -2.808 248 1HD LYS 28 2HD LYS 28 -11.559 -1.138 -2.645 249 2HD LYS 28 1HD LYS 28 -13.177 -1.847 -2.591 250 1HE LYS 28 2HE LYS 28 -13.773 -0.573 -4.616 251 2HE LYS 28 1HE LYS 28 -12.128 0.061 -4.678 252 1HZ LYS 28 1HZ LYS 28 -12.649 -1.922 -6.130 253 2HZ LYS 28 2HZ LYS 28 -12.685 -2.846 -4.704 254 3HZ LYS 28 3HZ LYS 28 -11.265 -2.037 -5.157 255 H LYS 29 H LYS 29 -9.998 1.550 0.651 256 HA LYS 29 HA LYS 29 -10.421 4.374 1.056 257 1HB LYS 29 2HB LYS 29 -9.557 4.006 3.288 258 2HB LYS 29 1HB LYS 29 -10.721 2.750 2.892 259 1HG LYS 29 2HG LYS 29 -8.106 1.874 2.146 260 2HG LYS 29 1HG LYS 29 -8.083 2.451 3.814 261 1HD LYS 29 2HD LYS 29 -10.419 0.824 3.197 262 2HD LYS 29 1HD LYS 29 -8.896 -0.042 2.984 263 1HE LYS 29 2HE LYS 29 -8.536 -0.148 5.185 264 2HE LYS 29 1HE LYS 29 -8.957 1.548 5.419 265 1HZ LYS 29 1HZ LYS 29 -11.362 0.512 4.978 266 2HZ LYS 29 2HZ LYS 29 -10.679 0.646 6.523 267 3HZ LYS 29 3HZ LYS 29 -10.605 -0.832 5.692 268 H CYS 30 H CYS 30 -8.026 2.504 -0.345 269 HA CYS 30 HA CYS 30 -5.683 3.916 0.342 270 1HB CYS 30 2HB CYS 30 -5.792 1.686 -0.814 271 2HB CYS 30 1HB CYS 30 -6.328 2.518 -2.265 272 H GLY 31 H GLY 31 -7.928 4.199 -2.387 273 1HA GLY 31 1HA GLY 31 -6.760 6.772 -3.141 274 2HA GLY 31 2HA GLY 31 -7.981 5.879 -4.043 275 H TRP 32 H TRP 32 -8.477 6.182 -0.671 276 HA TRP 32 HA TRP 32 -10.837 7.813 -1.071 277 1HB TRP 32 2HB TRP 32 -9.886 5.990 0.915 278 2HB TRP 32 1HB TRP 32 -10.284 7.528 1.684 279 HD1 TRP 32 HD TRP 32 -12.146 6.132 -1.364 280 HE1 TRP 32 1HE TRP 32 -14.601 5.744 -0.704 281 HE3 TRP 32 3HE TRP 32 -11.801 7.117 3.641 282 HZ2 TRP 32 2HZ TRP 32 -16.155 5.860 1.602 283 HZ3 TRP 32 3HZ TRP 32 -13.841 6.949 5.012 284 HH2 TRP 32 HH TRP 32 -15.981 6.329 4.013 285 H PHE 33 H PHE 33 -7.572 8.367 -0.562 286 HA PHE 33 HA PHE 33 -8.109 11.088 0.422 287 1HB PHE 33 2HB PHE 33 -5.448 9.786 0.887 288 2HB PHE 33 1HB PHE 33 -6.233 11.075 1.799 289 HD1 PHE 33 1HD PHE 33 -8.489 10.307 2.984 290 HD2 PHE 33 2HD PHE 33 -5.307 7.723 1.852 291 HE1 PHE 33 1HE PHE 33 -9.244 8.661 4.645 292 HE2 PHE 33 2HE PHE 33 -6.052 6.071 3.514 293 HZ PHE 33 HZ PHE 33 -8.026 6.536 4.913 Start of MODEL 11 1 1H GLY 1 1H GLY 1 6.920 -8.516 13.657 2 2H GLY 1 2H GLY 1 8.564 -8.165 13.865 3 3H GLY 1 3H GLY 1 7.782 -9.228 14.935 4 1HA GLY 1 2HA GLY 1 9.271 -10.092 12.960 5 2HA GLY 1 1HA GLY 1 7.853 -10.969 13.519 6 H SER 2 H SER 2 9.383 -9.832 10.843 7 HA SER 2 HA SER 2 6.875 -9.811 9.300 8 1HB SER 2 2HB SER 2 8.909 -8.207 8.031 9 2HB SER 2 1HB SER 2 7.281 -7.746 8.528 10 HG SER 2 HG SER 2 9.707 -7.576 9.968 11 H ARG 3 H ARG 3 7.832 -12.174 9.367 12 HA ARG 3 HA ARG 3 9.895 -12.594 7.358 13 1HB ARG 3 2HB ARG 3 9.256 -13.994 9.586 14 2HB ARG 3 1HB ARG 3 8.350 -14.902 8.383 15 1HG ARG 3 2HG ARG 3 11.178 -14.255 7.773 16 2HG ARG 3 1HG ARG 3 10.855 -15.483 8.998 17 1HD ARG 3 2HD ARG 3 10.804 -16.867 7.218 18 2HD ARG 3 1HD ARG 3 9.150 -16.276 7.066 19 HE ARG 3 HE ARG 3 10.918 -14.567 5.668 20 1HH1 ARG 3 2HH1 ARG 3 9.382 -17.712 5.468 21 2HH1 ARG 3 1HH1 ARG 3 9.494 -17.802 3.732 22 1HH2 ARG 3 2HH2 ARG 3 11.049 -14.662 3.389 23 2HH2 ARG 3 1HH2 ARG 3 10.484 -16.082 2.553 24 H LEU 4 H LEU 4 8.472 -11.443 5.789 25 HA LEU 4 HA LEU 4 6.582 -13.323 4.536 26 1HB LEU 4 2HB LEU 4 6.136 -10.595 3.724 27 2HB LEU 4 1HB LEU 4 5.010 -11.746 4.418 28 HG LEU 4 HG LEU 4 6.873 -10.493 6.335 29 1HD1 LEU 4 1HD1 LEU 4 6.562 -8.444 5.410 30 2HD1 LEU 4 2HD1 LEU 4 5.065 -8.911 4.602 31 3HD1 LEU 4 3HD1 LEU 4 5.058 -8.537 6.325 32 1HD2 LEU 4 1HD2 LEU 4 5.150 -10.800 7.799 33 2HD2 LEU 4 2HD2 LEU 4 3.909 -10.536 6.574 34 3HD2 LEU 4 3HD2 LEU 4 4.782 -12.069 6.631 35 HA PRO 5 HA PRO 5 9.441 -13.070 1.150 36 1HB PRO 5 2HB PRO 5 7.359 -14.348 -0.453 37 2HB PRO 5 1HB PRO 5 8.932 -14.977 0.037 38 1HG PRO 5 2HG PRO 5 6.599 -15.922 1.036 39 2HG PRO 5 1HG PRO 5 8.107 -15.903 1.966 40 1HD PRO 5 2HD PRO 5 5.766 -14.046 2.108 41 2HD PRO 5 1HD PRO 5 6.773 -14.701 3.417 42 H LYS 6 H LYS 6 6.230 -12.979 -0.360 43 HA LYS 6 HA LYS 6 6.440 -10.147 -0.867 44 1HB LYS 6 2HB LYS 6 6.082 -10.484 -3.359 45 2HB LYS 6 1HB LYS 6 7.700 -10.798 -2.755 46 1HG LYS 6 2HG LYS 6 7.494 -13.097 -3.025 47 2HG LYS 6 1HG LYS 6 5.731 -13.026 -3.083 48 1HD LYS 6 2HD LYS 6 7.298 -11.600 -5.178 49 2HD LYS 6 1HD LYS 6 7.144 -13.354 -5.276 50 1HE LYS 6 2HE LYS 6 5.078 -13.181 -6.065 51 2HE LYS 6 1HE LYS 6 4.593 -12.185 -4.693 52 1HZ LYS 6 1HZ LYS 6 5.719 -10.299 -5.960 53 2HZ LYS 6 2HZ LYS 6 4.223 -10.846 -6.545 54 3HZ LYS 6 3HZ LYS 6 5.659 -11.322 -7.309 55 H LEU 7 H LEU 7 4.553 -9.756 0.107 56 HA LEU 7 HA LEU 7 2.227 -11.396 -0.398 57 1HB LEU 7 2HB LEU 7 2.343 -8.808 1.144 58 2HB LEU 7 1HB LEU 7 1.126 -10.064 1.257 59 HG LEU 7 HG LEU 7 3.984 -10.241 2.210 60 1HD1 LEU 7 1HD1 LEU 7 2.321 -8.905 3.546 61 2HD1 LEU 7 2HD1 LEU 7 1.443 -10.413 3.800 62 3HD1 LEU 7 3HD1 LEU 7 3.096 -10.246 4.393 63 1HD2 LEU 7 1HD2 LEU 7 2.169 -12.370 3.007 64 2HD2 LEU 7 2HD2 LEU 7 2.455 -12.333 1.267 65 3HD2 LEU 7 3HD2 LEU 7 3.815 -12.460 2.383 66 H TYR 8 H TYR 8 0.398 -9.065 -0.086 67 HA TYR 8 HA TYR 8 0.316 -8.259 -2.910 68 1HB TYR 8 2HB TYR 8 -1.831 -7.858 -0.819 69 2HB TYR 8 1HB TYR 8 -2.004 -7.751 -2.569 70 HD1 TYR 8 1HD TYR 8 -2.332 -9.714 -3.899 71 HD2 TYR 8 2HD TYR 8 -1.569 -10.061 0.271 72 HE1 TYR 8 1HE TYR 8 -3.008 -12.077 -3.974 73 HE2 TYR 8 2HE TYR 8 -2.221 -12.428 0.201 74 HH TYR 8 HH TYR 8 -2.694 -14.131 -2.740 75 H LEU 9 H LEU 9 0.792 -6.237 -3.491 76 HA LEU 9 HA LEU 9 1.572 -4.415 -1.357 77 1HB LEU 9 2HB LEU 9 2.982 -5.211 -3.399 78 2HB LEU 9 1HB LEU 9 2.093 -3.980 -4.272 79 HG LEU 9 HG LEU 9 3.030 -2.235 -2.957 80 1HD1 LEU 9 1HD1 LEU 9 4.880 -3.373 -1.244 81 2HD1 LEU 9 2HD1 LEU 9 3.355 -2.609 -0.792 82 3HD1 LEU 9 3HD1 LEU 9 3.430 -4.355 -1.029 83 1HD2 LEU 9 1HD2 LEU 9 5.380 -4.046 -3.290 84 2HD2 LEU 9 2HD2 LEU 9 4.452 -3.536 -4.702 85 3HD2 LEU 9 3HD2 LEU 9 5.218 -2.330 -3.668 86 H CYS 10 H CYS 10 0.741 -2.419 -1.017 87 HA CYS 10 HA CYS 10 -1.459 -1.487 -2.671 88 1HB CYS 10 2HB CYS 10 -1.963 -1.144 -0.363 89 2HB CYS 10 1HB CYS 10 -0.342 -0.559 -0.014 90 H GLU 11 H GLU 11 -1.192 0.198 -3.988 91 HA GLU 11 HA GLU 11 1.518 0.922 -4.684 92 1HB GLU 11 2HB GLU 11 -0.792 2.225 -6.028 93 2HB GLU 11 1HB GLU 11 0.695 1.590 -6.716 94 1HG GLU 11 2HG GLU 11 -0.457 -0.699 -5.900 95 2HG GLU 11 1HG GLU 11 -1.890 0.274 -6.235 96 H PHE 12 H PHE 12 -0.718 2.101 -2.549 97 HA PHE 12 HA PHE 12 0.205 4.878 -2.850 98 1HB PHE 12 2HB PHE 12 -2.150 3.997 -1.192 99 2HB PHE 12 1HB PHE 12 -1.809 5.592 -1.855 100 HD1 PHE 12 1HD PHE 12 -2.197 6.056 -4.231 101 HD2 PHE 12 2HD PHE 12 -3.188 2.286 -2.517 102 HE1 PHE 12 1HE PHE 12 -3.587 5.531 -6.194 103 HE2 PHE 12 2HE PHE 12 -4.579 1.755 -4.475 104 HZ PHE 12 HZ PHE 12 -4.783 3.379 -6.319 105 H CYS 13 H CYS 13 0.081 2.154 -0.683 106 HA CYS 13 HA CYS 13 1.393 3.709 1.451 107 1HB CYS 13 2HB CYS 13 0.277 0.894 1.434 108 2HB CYS 13 1HB CYS 13 1.100 1.629 2.803 109 H LEU 14 H LEU 14 1.718 1.070 -0.761 110 HA LEU 14 HA LEU 14 3.408 -0.222 -1.463 111 1HB LEU 14 2HB LEU 14 5.145 1.873 -0.165 112 2HB LEU 14 1HB LEU 14 5.760 0.535 -1.122 113 HG LEU 14 HG LEU 14 3.692 2.194 -2.422 114 1HD1 LEU 14 1HD1 LEU 14 6.450 3.311 -2.411 115 2HD1 LEU 14 2HD1 LEU 14 4.911 4.092 -2.778 116 3HD1 LEU 14 3HD1 LEU 14 5.338 3.727 -1.107 117 1HD2 LEU 14 1HD2 LEU 14 4.496 0.690 -3.905 118 2HD2 LEU 14 2HD2 LEU 14 5.665 1.978 -4.190 119 3HD2 LEU 14 3HD2 LEU 14 6.087 0.619 -3.148 120 H LYS 15 H LYS 15 1.999 -0.666 0.857 121 HA LYS 15 HA LYS 15 3.929 -2.124 2.528 122 1HB LYS 15 2HB LYS 15 1.758 -0.399 3.245 123 2HB LYS 15 1HB LYS 15 1.369 -2.033 3.767 124 1HG LYS 15 2HG LYS 15 2.525 -0.670 5.483 125 2HG LYS 15 1HG LYS 15 3.365 -2.165 5.070 126 1HD LYS 15 2HD LYS 15 5.128 -0.713 5.016 127 2HD LYS 15 1HD LYS 15 4.587 -0.587 3.340 128 1HE LYS 15 2HE LYS 15 4.623 1.630 3.774 129 2HE LYS 15 1HE LYS 15 3.046 1.305 4.490 130 1HZ LYS 15 1HZ LYS 15 5.409 0.987 6.184 131 2HZ LYS 15 2HZ LYS 15 3.845 1.501 6.592 132 3HZ LYS 15 3HZ LYS 15 4.913 2.566 5.811 133 H TYR 16 H TYR 16 3.406 -4.279 3.066 134 HA TYR 16 HA TYR 16 1.862 -5.551 0.963 135 1HB TYR 16 2HB TYR 16 3.907 -6.483 2.946 136 2HB TYR 16 1HB TYR 16 2.899 -7.650 2.096 137 HD1 TYR 16 1HD TYR 16 2.799 -7.294 -0.525 138 HD2 TYR 16 2HD TYR 16 5.919 -5.882 1.990 139 HE1 TYR 16 1HE TYR 16 4.305 -7.197 -2.463 140 HE2 TYR 16 2HE TYR 16 7.440 -5.787 0.059 141 HH TYR 16 HH TYR 16 7.245 -5.573 -2.434 142 H MET 17 H MET 17 0.000 -6.549 1.183 143 HA MET 17 HA MET 17 -1.259 -6.655 3.834 144 1HB MET 17 2HB MET 17 -2.685 -7.251 1.277 145 2HB MET 17 1HB MET 17 -3.335 -6.610 2.775 146 1HG MET 17 2HG MET 17 -1.372 -4.979 1.253 147 2HG MET 17 1HG MET 17 -3.024 -5.103 0.656 148 1HE MET 17 1HE MET 17 -1.529 -2.071 3.312 149 2HE MET 17 2HE MET 17 -0.750 -3.115 2.122 150 3HE MET 17 3HE MET 17 -2.014 -1.993 1.619 151 H LYS 18 H LYS 18 -2.383 -8.579 4.497 152 HA LYS 18 HA LYS 18 -0.824 -10.893 3.898 153 1HB LYS 18 2HB LYS 18 -2.847 -10.129 5.886 154 2HB LYS 18 1HB LYS 18 -2.850 -11.836 5.468 155 1HG LYS 18 2HG LYS 18 -0.416 -10.308 6.363 156 2HG LYS 18 1HG LYS 18 -1.429 -11.293 7.418 157 1HD LYS 18 2HD LYS 18 -0.538 -13.213 6.674 158 2HD LYS 18 1HD LYS 18 -0.543 -12.673 4.995 159 1HE LYS 18 2HE LYS 18 1.592 -11.979 5.080 160 2HE LYS 18 1HE LYS 18 1.402 -11.294 6.696 161 1HZ LYS 18 1HZ LYS 18 2.772 -13.563 6.071 162 2HZ LYS 18 2HZ LYS 18 1.315 -14.160 6.699 163 3HZ LYS 18 3HZ LYS 18 2.268 -13.102 7.624 164 H SER 19 H SER 19 -4.069 -9.855 3.015 165 HA SER 19 HA SER 19 -4.221 -12.222 1.291 166 1HB SER 19 2HB SER 19 -6.283 -12.869 2.019 167 2HB SER 19 1HB SER 19 -5.737 -12.089 3.501 168 HG SER 19 HG SER 19 -7.823 -11.398 2.904 169 H ARG 20 H ARG 20 -5.625 -11.981 -0.555 170 HA ARG 20 HA ARG 20 -5.190 -9.532 -1.890 171 1HB ARG 20 2HB ARG 20 -5.546 -11.966 -2.801 172 2HB ARG 20 1HB ARG 20 -7.244 -11.507 -2.802 173 1HG ARG 20 2HG ARG 20 -6.856 -9.745 -4.337 174 2HG ARG 20 1HG ARG 20 -5.109 -9.899 -4.167 175 1HD ARG 20 2HD ARG 20 -6.340 -10.916 -6.239 176 2HD ARG 20 1HD ARG 20 -5.010 -11.781 -5.472 177 HE ARG 20 HE ARG 20 -7.846 -12.369 -4.874 178 1HH1 ARG 20 2HH1 ARG 20 -4.590 -13.410 -5.691 179 2HH1 ARG 20 1HH1 ARG 20 -4.974 -15.104 -5.545 180 1HH2 ARG 20 2HH2 ARG 20 -8.318 -14.596 -4.653 181 2HH2 ARG 20 1HH2 ARG 20 -7.068 -15.769 -4.943 182 H THR 21 H THR 21 -8.006 -10.954 -0.289 183 HA THR 21 HA THR 21 -9.806 -8.940 -1.175 184 HB THR 21 HB THR 21 -10.100 -11.384 0.032 185 HG1 THR 21 1HG THR 21 -11.526 -9.880 -1.326 186 1HG2 THR 21 1HG2 THR 21 -9.729 -10.504 2.262 187 2HG2 THR 21 2HG2 THR 21 -11.417 -10.983 2.074 188 3HG2 THR 21 3HG2 THR 21 -10.972 -9.279 2.009 189 H ILE 22 H ILE 22 -7.537 -9.159 1.431 190 HA ILE 22 HA ILE 22 -8.568 -7.026 3.019 191 HB ILE 22 HB ILE 22 -5.921 -8.422 2.824 192 1HG1 ILE 22 2HG1 ILE 22 -7.618 -7.861 5.247 193 1HG2 ILE 22 1HG2 ILE 22 -4.759 -6.918 4.098 194 2HG2 ILE 22 2HG2 ILE 22 -5.755 -5.816 3.147 195 3HG2 ILE 22 3HG2 ILE 22 -6.218 -6.218 4.800 196 1HD1 ILE 22 1HD1 ILE 22 -5.611 -10.009 4.609 197 2HD1 ILE 22 2HD1 ILE 22 -5.481 -8.742 5.830 198 3HD1 ILE 22 3HD1 ILE 22 -6.678 -10.023 6.015 199 H LEU 23 H LEU 23 -6.222 -7.280 0.375 200 HA LEU 23 HA LEU 23 -5.644 -4.487 0.298 201 1HB LEU 23 2HB LEU 23 -4.068 -6.154 -0.570 202 2HB LEU 23 1HB LEU 23 -5.223 -6.600 -1.811 203 HG LEU 23 HG LEU 23 -5.062 -4.303 -2.742 204 1HD1 LEU 23 1HD1 LEU 23 -3.005 -4.000 -0.572 205 2HD1 LEU 23 2HD1 LEU 23 -3.069 -2.956 -1.991 206 3HD1 LEU 23 3HD1 LEU 23 -4.430 -3.007 -0.872 207 1HD2 LEU 23 1HD2 LEU 23 -2.327 -5.516 -2.530 208 2HD2 LEU 23 2HD2 LEU 23 -3.623 -6.279 -3.453 209 3HD2 LEU 23 3HD2 LEU 23 -3.054 -4.668 -3.896 210 H GLN 24 H GLN 24 -7.972 -6.605 -1.230 211 HA GLN 24 HA GLN 24 -8.868 -4.986 -3.306 212 1HB GLN 24 2HB GLN 24 -10.011 -7.201 -1.710 213 2HB GLN 24 1HB GLN 24 -11.179 -6.175 -2.532 214 1HG GLN 24 2HG GLN 24 -10.534 -6.860 -4.601 215 2HG GLN 24 1HG GLN 24 -8.871 -7.172 -4.105 216 1HE2 GLN 24 1HE2 GLN 24 -8.867 -9.193 -5.085 217 2HE2 GLN 24 2HE2 GLN 24 -9.715 -10.545 -4.404 218 H GLN 25 H GLN 25 -10.053 -5.174 0.039 219 HA GLN 25 HA GLN 25 -11.847 -2.965 -0.250 220 1HB GLN 25 2HB GLN 25 -10.701 -4.034 2.329 221 2HB GLN 25 1HB GLN 25 -12.205 -3.152 2.109 222 1HG GLN 25 2HG GLN 25 -13.287 -4.981 1.165 223 2HG GLN 25 1HG GLN 25 -11.772 -5.803 0.790 224 1HE2 GLN 25 1HE2 GLN 25 -13.396 -7.413 1.921 225 2HE2 GLN 25 2HE2 GLN 25 -13.108 -7.625 3.622 226 H HIS 26 H HIS 26 -8.524 -3.373 0.781 227 HA HIS 26 HA HIS 26 -8.160 -0.867 1.984 228 1HB HIS 26 2HB HIS 26 -6.566 -2.701 2.297 229 2HB HIS 26 1HB HIS 26 -6.123 -2.626 0.594 230 HD1 HIS 26 1HD HIS 26 -5.361 -1.099 3.885 231 HD2 HIS 26 2HD HIS 26 -4.682 -0.263 -0.144 232 HE1 HIS 26 1HE HIS 26 -3.663 0.794 3.803 233 H MET 27 H MET 27 -7.372 -1.926 -1.333 234 HA MET 27 HA MET 27 -6.338 0.545 -2.161 235 1HB MET 27 2HB MET 27 -7.254 -1.927 -3.518 236 2HB MET 27 1HB MET 27 -7.131 -0.477 -4.506 237 1HG MET 27 2HG MET 27 -4.766 -0.469 -3.117 238 2HG MET 27 1HG MET 27 -5.046 -2.184 -3.411 239 1HE MET 27 1HE MET 27 -2.852 -2.487 -5.405 240 2HE MET 27 2HE MET 27 -4.379 -3.318 -5.107 241 3HE MET 27 3HE MET 27 -3.946 -2.825 -6.744 242 H LYS 28 H LYS 28 -9.586 -0.626 -1.946 243 HA LYS 28 HA LYS 28 -10.759 1.383 -3.611 244 1HB LYS 28 2HB LYS 28 -11.698 -0.830 -1.918 245 2HB LYS 28 1HB LYS 28 -12.790 0.547 -1.981 246 1HG LYS 28 2HG LYS 28 -13.362 -1.093 -3.672 247 2HG LYS 28 1HG LYS 28 -12.831 0.417 -4.416 248 1HD LYS 28 2HD LYS 28 -10.491 -1.018 -4.169 249 2HD LYS 28 1HD LYS 28 -11.682 -2.258 -4.574 250 1HE LYS 28 2HE LYS 28 -12.018 0.130 -6.183 251 2HE LYS 28 1HE LYS 28 -10.397 -0.545 -6.343 252 1HZ LYS 28 1HZ LYS 28 -12.413 -1.373 -7.805 253 2HZ LYS 28 2HZ LYS 28 -12.640 -2.410 -6.481 254 3HZ LYS 28 3HZ LYS 28 -11.168 -2.418 -7.324 255 H LYS 29 H LYS 29 -9.377 1.462 -0.564 256 HA LYS 29 HA LYS 29 -10.947 3.822 0.198 257 1HB LYS 29 2HB LYS 29 -10.646 1.828 1.815 258 2HB LYS 29 1HB LYS 29 -9.005 2.429 2.014 259 1HG LYS 29 2HG LYS 29 -10.763 4.628 2.310 260 2HG LYS 29 1HG LYS 29 -11.389 3.301 3.291 261 1HD LYS 29 2HD LYS 29 -9.824 3.674 4.822 262 2HD LYS 29 1HD LYS 29 -8.564 3.412 3.616 263 1HE LYS 29 2HE LYS 29 -8.304 5.594 4.649 264 2HE LYS 29 1HE LYS 29 -8.728 5.767 2.946 265 1HZ LYS 29 1HZ LYS 29 -11.068 5.716 4.543 266 2HZ LYS 29 2HZ LYS 29 -10.509 6.938 3.506 267 3HZ LYS 29 3HZ LYS 29 -10.004 6.901 5.124 268 H CYS 30 H CYS 30 -7.714 2.572 -0.299 269 HA CYS 30 HA CYS 30 -6.359 4.989 0.310 270 1HB CYS 30 2HB CYS 30 -5.652 2.349 -0.169 271 2HB CYS 30 1HB CYS 30 -4.969 3.217 -1.536 272 H GLY 31 H GLY 31 -7.550 3.524 -2.679 273 1HA GLY 31 1HA GLY 31 -6.500 5.715 -4.281 274 2HA GLY 31 2HA GLY 31 -7.406 4.324 -4.870 275 H TRP 32 H TRP 32 -8.412 6.451 -2.249 276 HA TRP 32 HA TRP 32 -10.899 6.983 -3.625 277 1HB TRP 32 2HB TRP 32 -10.002 6.974 -0.902 278 2HB TRP 32 1HB TRP 32 -10.700 8.549 -1.267 279 HD1 TRP 32 HD TRP 32 -11.787 5.607 0.294 280 HE1 TRP 32 1HE TRP 32 -14.286 5.111 -0.060 281 HE3 TRP 32 3HE TRP 32 -12.673 8.689 -3.686 282 HZ2 TRP 32 2HZ TRP 32 -16.358 5.926 -1.785 283 HZ3 TRP 32 3HZ TRP 32 -14.946 8.773 -4.626 284 HH2 TRP 32 HH TRP 32 -16.749 7.420 -3.692 285 H PHE 33 H PHE 33 -9.386 8.058 -5.308 286 HA PHE 33 HA PHE 33 -9.843 10.872 -5.130 287 1HB PHE 33 2HB PHE 33 -7.461 10.180 -4.035 288 2HB PHE 33 1HB PHE 33 -6.985 10.340 -5.724 289 HD1 PHE 33 1HD PHE 33 -8.075 12.556 -6.852 290 HD2 PHE 33 2HD PHE 33 -7.145 12.023 -2.737 291 HE1 PHE 33 1HE PHE 33 -7.917 14.995 -6.575 292 HE2 PHE 33 2HE PHE 33 -6.983 14.459 -2.450 293 HZ PHE 33 HZ PHE 33 -7.370 15.949 -4.371 Start of MODEL 12 1 1H GLY 1 1H GLY 1 12.249 -5.597 12.093 2 2H GLY 1 2H GLY 1 12.511 -3.933 12.282 3 3H GLY 1 3H GLY 1 13.286 -4.781 11.032 4 1HA GLY 1 2HA GLY 1 10.525 -3.850 11.221 5 2HA GLY 1 1HA GLY 1 11.619 -3.833 9.845 6 H SER 2 H SER 2 9.148 -4.635 9.324 7 HA SER 2 HA SER 2 8.669 -7.411 9.698 8 1HB SER 2 2HB SER 2 7.317 -6.447 7.377 9 2HB SER 2 1HB SER 2 6.651 -6.754 8.982 10 HG SER 2 HG SER 2 6.878 -4.680 9.509 11 H ARG 3 H ARG 3 8.922 -9.125 8.279 12 HA ARG 3 HA ARG 3 10.710 -8.629 5.986 13 1HB ARG 3 2HB ARG 3 11.245 -10.133 8.319 14 2HB ARG 3 1HB ARG 3 11.005 -11.294 7.020 15 1HG ARG 3 2HG ARG 3 12.621 -9.419 5.846 16 2HG ARG 3 1HG ARG 3 13.214 -9.462 7.507 17 1HD ARG 3 2HD ARG 3 13.980 -11.586 7.322 18 2HD ARG 3 1HD ARG 3 12.680 -12.075 6.238 19 HE ARG 3 HE ARG 3 14.620 -10.259 5.082 20 1HH1 ARG 3 2HH1 ARG 3 13.671 -13.601 5.596 21 2HH1 ARG 3 1HH1 ARG 3 14.645 -14.212 4.287 22 1HH2 ARG 3 2HH2 ARG 3 15.904 -11.062 3.358 23 2HH2 ARG 3 1HH2 ARG 3 15.942 -12.775 3.046 24 H LEU 4 H LEU 4 8.314 -8.484 5.199 25 HA LEU 4 HA LEU 4 7.022 -11.019 4.743 26 1HB LEU 4 2HB LEU 4 6.396 -8.397 3.401 27 2HB LEU 4 1HB LEU 4 5.332 -9.775 3.613 28 HG LEU 4 HG LEU 4 6.168 -8.904 6.197 29 1HD1 LEU 4 1HD1 LEU 4 5.039 -6.634 6.079 30 2HD1 LEU 4 2HD1 LEU 4 6.671 -6.744 5.418 31 3HD1 LEU 4 3HD1 LEU 4 5.281 -6.721 4.334 32 1HD2 LEU 4 1HD2 LEU 4 3.826 -9.682 4.794 33 2HD2 LEU 4 2HD2 LEU 4 4.080 -9.561 6.535 34 3HD2 LEU 4 3HD2 LEU 4 3.489 -8.167 5.631 35 HA PRO 5 HA PRO 5 9.415 -11.852 1.102 36 1HB PRO 5 2HB PRO 5 8.121 -14.121 0.350 37 2HB PRO 5 1HB PRO 5 9.289 -14.060 1.669 38 1HG PRO 5 2HG PRO 5 6.318 -14.140 1.763 39 2HG PRO 5 1HG PRO 5 7.498 -14.867 2.864 40 1HD PRO 5 2HD PRO 5 6.095 -12.550 3.364 41 2HD PRO 5 1HD PRO 5 7.628 -12.989 4.138 42 H LYS 6 H LYS 6 6.455 -13.324 -0.029 43 HA LYS 6 HA LYS 6 6.113 -11.086 -1.904 44 1HB LYS 6 2HB LYS 6 5.124 -12.777 -3.488 45 2HB LYS 6 1HB LYS 6 6.851 -12.935 -3.210 46 1HG LYS 6 2HG LYS 6 6.563 -15.051 -2.658 47 2HG LYS 6 1HG LYS 6 5.533 -14.562 -1.311 48 1HD LYS 6 2HD LYS 6 3.821 -15.534 -2.343 49 2HD LYS 6 1HD LYS 6 3.955 -14.317 -3.615 50 1HE LYS 6 2HE LYS 6 5.838 -15.906 -4.508 51 2HE LYS 6 1HE LYS 6 4.999 -17.113 -3.531 52 1HZ LYS 6 1HZ LYS 6 4.168 -17.138 -5.777 53 2HZ LYS 6 2HZ LYS 6 3.812 -15.483 -5.712 54 3HZ LYS 6 3HZ LYS 6 2.953 -16.573 -4.740 55 H LEU 7 H LEU 7 4.363 -9.981 -1.506 56 HA LEU 7 HA LEU 7 1.930 -11.377 -0.632 57 1HB LEU 7 2HB LEU 7 3.420 -9.262 0.805 58 2HB LEU 7 1HB LEU 7 1.690 -9.039 0.712 59 HG LEU 7 HG LEU 7 1.865 -10.149 2.708 60 1HD1 LEU 7 1HD1 LEU 7 0.497 -11.456 0.985 61 2HD1 LEU 7 2HD1 LEU 7 1.841 -12.598 0.973 62 3HD1 LEU 7 3HD1 LEU 7 0.960 -12.286 2.469 63 1HD2 LEU 7 1HD2 LEU 7 4.291 -11.362 1.505 64 2HD2 LEU 7 2HD2 LEU 7 4.065 -10.605 3.082 65 3HD2 LEU 7 3HD2 LEU 7 3.477 -12.244 2.797 66 H TYR 8 H TYR 8 0.509 -8.895 -0.270 67 HA TYR 8 HA TYR 8 0.444 -7.894 -3.041 68 1HB TYR 8 2HB TYR 8 -2.057 -7.993 -1.400 69 2HB TYR 8 1HB TYR 8 -1.857 -8.127 -3.151 70 HD1 TYR 8 1HD TYR 8 -2.081 -9.922 -0.020 71 HD2 TYR 8 2HD TYR 8 -1.021 -10.273 -4.122 72 HE1 TYR 8 1HE TYR 8 -2.130 -12.370 0.184 73 HE2 TYR 8 2HE TYR 8 -1.071 -12.720 -3.933 74 HH TYR 8 HH TYR 8 -0.776 -14.351 -1.354 75 H LEU 9 H LEU 9 1.242 -5.899 -2.912 76 HA LEU 9 HA LEU 9 0.827 -4.358 -0.479 77 1HB LEU 9 2HB LEU 9 2.616 -2.961 -1.231 78 2HB LEU 9 1HB LEU 9 3.094 -4.628 -1.415 79 HG LEU 9 HG LEU 9 1.882 -3.558 -3.821 80 1HD1 LEU 9 1HD1 LEU 9 4.391 -2.274 -2.753 81 2HD1 LEU 9 2HD1 LEU 9 3.819 -2.146 -4.416 82 3HD1 LEU 9 3HD1 LEU 9 2.860 -1.471 -3.099 83 1HD2 LEU 9 1HD2 LEU 9 3.879 -5.376 -2.902 84 2HD2 LEU 9 2HD2 LEU 9 3.088 -5.296 -4.478 85 3HD2 LEU 9 3HD2 LEU 9 4.542 -4.345 -4.171 86 H CYS 10 H CYS 10 0.330 -2.114 -0.589 87 HA CYS 10 HA CYS 10 -1.757 -1.475 -2.457 88 1HB CYS 10 2HB CYS 10 -2.249 -0.845 -0.218 89 2HB CYS 10 1HB CYS 10 -0.640 -0.182 0.035 90 H GLU 11 H GLU 11 -1.563 0.107 -3.943 91 HA GLU 11 HA GLU 11 1.061 0.655 -4.937 92 1HB GLU 11 2HB GLU 11 -1.642 1.675 -5.829 93 2HB GLU 11 1HB GLU 11 -0.137 1.964 -6.692 94 1HG GLU 11 2HG GLU 11 -1.310 -0.752 -6.135 95 2HG GLU 11 1HG GLU 11 -1.475 0.134 -7.649 96 H PHE 12 H PHE 12 -0.879 2.143 -2.631 97 HA PHE 12 HA PHE 12 0.476 4.727 -3.034 98 1HB PHE 12 2HB PHE 12 -1.948 4.360 -1.297 99 2HB PHE 12 1HB PHE 12 -1.366 5.823 -2.087 100 HD1 PHE 12 1HD PHE 12 -1.560 5.995 -4.593 101 HD2 PHE 12 2HD PHE 12 -3.517 2.973 -2.335 102 HE1 PHE 12 1HE PHE 12 -3.096 5.592 -6.472 103 HE2 PHE 12 2HE PHE 12 -5.058 2.556 -4.208 104 HZ PHE 12 HZ PHE 12 -4.847 3.871 -6.280 105 H CYS 13 H CYS 13 -0.041 2.103 -0.808 106 HA CYS 13 HA CYS 13 1.444 3.533 1.298 107 1HB CYS 13 2HB CYS 13 -0.144 0.956 1.412 108 2HB CYS 13 1HB CYS 13 0.736 1.653 2.767 109 H LEU 14 H LEU 14 1.430 0.757 -0.787 110 HA LEU 14 HA LEU 14 2.957 -0.749 -1.407 111 1HB LEU 14 2HB LEU 14 4.966 1.190 -0.264 112 2HB LEU 14 1HB LEU 14 5.319 -0.132 -1.364 113 HG LEU 14 HG LEU 14 3.268 1.547 -2.482 114 1HD1 LEU 14 1HD1 LEU 14 5.678 3.161 -2.521 115 2HD1 LEU 14 2HD1 LEU 14 3.997 3.630 -2.262 116 3HD1 LEU 14 3HD1 LEU 14 4.963 3.037 -0.912 117 1HD2 LEU 14 1HD2 LEU 14 4.819 1.654 -4.353 118 2HD2 LEU 14 2HD2 LEU 14 6.094 0.961 -3.348 119 3HD2 LEU 14 3HD2 LEU 14 4.665 0.006 -3.746 120 H LYS 15 H LYS 15 1.723 -0.833 1.185 121 HA LYS 15 HA LYS 15 3.695 -2.289 2.788 122 1HB LYS 15 2HB LYS 15 2.390 -0.580 3.964 123 2HB LYS 15 1HB LYS 15 0.896 -1.353 3.455 124 1HG LYS 15 2HG LYS 15 1.149 -2.076 5.637 125 2HG LYS 15 1HG LYS 15 1.800 -3.421 4.696 126 1HD LYS 15 2HD LYS 15 3.473 -3.194 6.231 127 2HD LYS 15 1HD LYS 15 4.054 -2.064 5.007 128 1HE LYS 15 2HE LYS 15 2.254 -0.676 6.714 129 2HE LYS 15 1HE LYS 15 3.400 -1.557 7.725 130 1HZ LYS 15 1HZ LYS 15 4.159 0.689 7.131 131 2HZ LYS 15 2HZ LYS 15 4.165 0.250 5.493 132 3HZ LYS 15 3HZ LYS 15 5.215 -0.520 6.581 133 H TYR 16 H TYR 16 3.754 -4.415 2.617 134 HA TYR 16 HA TYR 16 2.073 -5.885 0.961 135 1HB TYR 16 2HB TYR 16 4.021 -6.704 3.107 136 2HB TYR 16 1HB TYR 16 3.142 -7.890 2.146 137 HD1 TYR 16 1HD TYR 16 3.481 -5.361 -0.080 138 HD2 TYR 16 2HD TYR 16 5.915 -8.169 1.978 139 HE1 TYR 16 1HE TYR 16 5.173 -5.166 -1.841 140 HE2 TYR 16 2HE TYR 16 7.626 -7.984 0.221 141 HH TYR 16 HH TYR 16 7.267 -5.684 -2.464 142 H MET 17 H MET 17 0.068 -6.495 1.223 143 HA MET 17 HA MET 17 -1.047 -6.848 3.910 144 1HB MET 17 2HB MET 17 -2.353 -6.735 1.183 145 2HB MET 17 1HB MET 17 -3.224 -7.069 2.667 146 1HG MET 17 2HG MET 17 -1.656 -4.560 2.147 147 2HG MET 17 1HG MET 17 -3.391 -4.725 1.901 148 1HE MET 17 1HE MET 17 -2.552 -2.540 3.169 149 2HE MET 17 2HE MET 17 -3.359 -2.397 4.732 150 3HE MET 17 3HE MET 17 -1.618 -2.662 4.661 151 H LYS 18 H LYS 18 -1.972 -8.832 4.530 152 HA LYS 18 HA LYS 18 -0.492 -11.036 3.463 153 1HB LYS 18 2HB LYS 18 -2.628 -11.066 5.595 154 2HB LYS 18 1HB LYS 18 -1.424 -12.312 5.297 155 1HG LYS 18 2HG LYS 18 -0.870 -9.503 6.233 156 2HG LYS 18 1HG LYS 18 -0.831 -10.963 7.225 157 1HD LYS 18 2HD LYS 18 0.881 -10.667 4.776 158 2HD LYS 18 1HD LYS 18 1.401 -10.059 6.348 159 1HE LYS 18 2HE LYS 18 0.498 -12.648 6.837 160 2HE LYS 18 1HE LYS 18 1.389 -12.760 5.320 161 1HZ LYS 18 1HZ LYS 18 2.613 -11.271 7.525 162 2HZ LYS 18 2HZ LYS 18 3.341 -12.205 6.311 163 3HZ LYS 18 3HZ LYS 18 2.591 -12.963 7.627 164 H SER 19 H SER 19 -3.708 -9.852 3.024 165 HA SER 19 HA SER 19 -4.283 -12.217 1.374 166 1HB SER 19 2HB SER 19 -6.537 -10.804 2.730 167 2HB SER 19 1HB SER 19 -6.404 -12.493 2.235 168 HG SER 19 HG SER 19 -4.886 -12.768 3.970 169 H ARG 20 H ARG 20 -5.290 -11.851 -0.558 170 HA ARG 20 HA ARG 20 -5.042 -9.320 -1.784 171 1HB ARG 20 2HB ARG 20 -5.902 -11.988 -2.511 172 2HB ARG 20 1HB ARG 20 -6.952 -10.777 -3.232 173 1HG ARG 20 2HG ARG 20 -5.010 -9.677 -4.223 174 2HG ARG 20 1HG ARG 20 -3.954 -10.893 -3.497 175 1HD ARG 20 2HD ARG 20 -5.772 -11.092 -5.824 176 2HD ARG 20 1HD ARG 20 -4.199 -11.836 -5.547 177 HE ARG 20 HE ARG 20 -5.285 -13.532 -4.239 178 1HH1 ARG 20 2HH1 ARG 20 -7.429 -11.413 -6.016 179 2HH1 ARG 20 1HH1 ARG 20 -8.773 -12.516 -5.985 180 1HH2 ARG 20 2HH2 ARG 20 -7.055 -14.992 -4.170 181 2HH2 ARG 20 1HH2 ARG 20 -8.557 -14.551 -4.931 182 H THR 21 H THR 21 -7.731 -11.000 -0.279 183 HA THR 21 HA THR 21 -9.847 -9.338 -0.997 184 HB THR 21 HB THR 21 -10.500 -10.114 1.544 185 HG1 THR 21 1HG THR 21 -9.370 -11.862 2.116 186 1HG2 THR 21 1HG2 THR 21 -10.572 -12.058 -0.751 187 2HG2 THR 21 2HG2 THR 21 -11.587 -10.616 -0.720 188 3HG2 THR 21 3HG2 THR 21 -11.751 -11.836 0.541 189 H ILE 22 H ILE 22 -7.574 -9.123 1.696 190 HA ILE 22 HA ILE 22 -8.730 -6.863 2.955 191 HB ILE 22 HB ILE 22 -6.100 -8.280 3.139 192 1HG1 ILE 22 2HG1 ILE 22 -7.910 -7.526 5.404 193 1HG2 ILE 22 1HG2 ILE 22 -4.960 -6.561 3.945 194 2HG2 ILE 22 2HG2 ILE 22 -6.310 -5.503 3.526 195 3HG2 ILE 22 3HG2 ILE 22 -6.227 -6.235 5.129 196 1HD1 ILE 22 1HD1 ILE 22 -6.336 -8.712 6.440 197 2HD1 ILE 22 2HD1 ILE 22 -7.185 -10.104 5.761 198 3HD1 ILE 22 3HD1 ILE 22 -5.767 -9.452 4.943 199 H LEU 23 H LEU 23 -6.014 -7.263 0.706 200 HA LEU 23 HA LEU 23 -5.239 -4.570 0.621 201 1HB LEU 23 2HB LEU 23 -4.165 -6.814 -0.294 202 2HB LEU 23 1HB LEU 23 -4.940 -6.308 -1.779 203 HG LEU 23 HG LEU 23 -2.436 -5.503 -0.745 204 1HD1 LEU 23 1HD1 LEU 23 -4.056 -4.643 -3.125 205 2HD1 LEU 23 2HD1 LEU 23 -2.349 -4.263 -2.884 206 3HD1 LEU 23 3HD1 LEU 23 -2.864 -5.942 -3.048 207 1HD2 LEU 23 1HD2 LEU 23 -2.781 -2.992 -1.025 208 2HD2 LEU 23 2HD2 LEU 23 -4.492 -3.311 -0.741 209 3HD2 LEU 23 3HD2 LEU 23 -3.301 -3.710 0.499 210 H GLN 24 H GLN 24 -7.538 -6.398 -1.349 211 HA GLN 24 HA GLN 24 -8.029 -4.405 -3.256 212 1HB GLN 24 2HB GLN 24 -9.190 -6.953 -2.499 213 2HB GLN 24 1HB GLN 24 -10.424 -5.801 -2.996 214 1HG GLN 24 2HG GLN 24 -8.025 -6.687 -4.581 215 2HG GLN 24 1HG GLN 24 -9.716 -7.072 -4.901 216 1HE2 GLN 24 1HE2 GLN 24 -7.189 -4.782 -5.254 217 2HE2 GLN 24 2HE2 GLN 24 -8.073 -3.603 -6.168 218 H GLN 25 H GLN 25 -9.822 -5.195 -0.272 219 HA GLN 25 HA GLN 25 -11.669 -3.059 -0.529 220 1HB GLN 25 2HB GLN 25 -12.492 -3.672 1.557 221 2HB GLN 25 1HB GLN 25 -11.813 -5.177 0.956 222 1HG GLN 25 2HG GLN 25 -9.691 -4.419 2.258 223 2HG GLN 25 1HG GLN 25 -10.828 -3.380 3.116 224 1HE2 GLN 25 1HE2 GLN 25 -10.813 -6.726 1.928 225 2HE2 GLN 25 2HE2 GLN 25 -11.371 -7.429 3.409 226 H HIS 26 H HIS 26 -8.412 -3.211 0.553 227 HA HIS 26 HA HIS 26 -8.460 -0.780 2.078 228 1HB HIS 26 2HB HIS 26 -6.730 -2.332 2.642 229 2HB HIS 26 1HB HIS 26 -6.210 -2.473 0.966 230 HD1 HIS 26 1HD HIS 26 -5.666 -0.486 4.050 231 HD2 HIS 26 2HD HIS 26 -4.826 -0.164 -0.026 232 HE1 HIS 26 1HE HIS 26 -4.034 1.449 3.785 233 H MET 27 H MET 27 -7.165 -1.690 -1.118 234 HA MET 27 HA MET 27 -6.316 0.890 -1.796 235 1HB MET 27 2HB MET 27 -6.742 -1.649 -3.268 236 2HB MET 27 1HB MET 27 -6.632 -0.179 -4.228 237 1HG MET 27 2HG MET 27 -4.470 0.326 -3.146 238 2HG MET 27 1HG MET 27 -4.574 -1.208 -2.285 239 1HE MET 27 1HE MET 27 -3.874 -0.632 -6.794 240 2HE MET 27 2HE MET 27 -5.502 -0.421 -6.147 241 3HE MET 27 3HE MET 27 -4.195 0.630 -5.604 242 H LYS 28 H LYS 28 -9.444 -0.473 -1.816 243 HA LYS 28 HA LYS 28 -10.614 1.211 -3.788 244 1HB LYS 28 2HB LYS 28 -11.540 -0.754 -1.834 245 2HB LYS 28 1HB LYS 28 -12.663 0.583 -2.051 246 1HG LYS 28 2HG LYS 28 -13.204 -1.248 -3.540 247 2HG LYS 28 1HG LYS 28 -12.694 0.170 -4.457 248 1HD LYS 28 2HD LYS 28 -10.359 -1.296 -3.948 249 2HD LYS 28 1HD LYS 28 -11.581 -2.477 -4.426 250 1HE LYS 28 2HE LYS 28 -12.082 -0.736 -6.317 251 2HE LYS 28 1HE LYS 28 -10.441 -0.195 -5.969 252 1HZ LYS 28 1HZ LYS 28 -10.715 -3.051 -6.253 253 2HZ LYS 28 2HZ LYS 28 -9.561 -2.001 -6.912 254 3HZ LYS 28 3HZ LYS 28 -11.072 -2.182 -7.665 255 H LYS 29 H LYS 29 -9.760 1.626 -0.453 256 HA LYS 29 HA LYS 29 -11.251 4.141 -0.335 257 1HB LYS 29 2HB LYS 29 -11.120 4.074 1.972 258 2HB LYS 29 1HB LYS 29 -11.242 2.371 1.559 259 1HG LYS 29 2HG LYS 29 -9.288 1.922 2.493 260 2HG LYS 29 1HG LYS 29 -8.492 3.237 1.626 261 1HD LYS 29 2HD LYS 29 -8.338 4.344 3.543 262 2HD LYS 29 1HD LYS 29 -10.099 4.448 3.583 263 1HE LYS 29 2HE LYS 29 -10.255 2.949 5.229 264 2HE LYS 29 1HE LYS 29 -9.113 1.855 4.449 265 1HZ LYS 29 1HZ LYS 29 -8.172 2.517 6.495 266 2HZ LYS 29 2HZ LYS 29 -8.489 4.160 6.208 267 3HZ LYS 29 3HZ LYS 29 -7.315 3.350 5.291 268 H CYS 30 H CYS 30 -8.056 2.834 -0.508 269 HA CYS 30 HA CYS 30 -6.673 5.237 0.129 270 1HB CYS 30 2HB CYS 30 -5.965 2.606 -0.127 271 2HB CYS 30 1HB CYS 30 -5.291 3.297 -1.597 272 H GLY 31 H GLY 31 -7.877 3.774 -2.814 273 1HA GLY 31 1HA GLY 31 -6.478 5.559 -4.577 274 2HA GLY 31 2HA GLY 31 -7.738 4.416 -5.026 275 H TRP 32 H TRP 32 -7.667 7.223 -2.853 276 HA TRP 32 HA TRP 32 -10.008 8.287 -4.273 277 1HB TRP 32 2HB TRP 32 -9.163 8.269 -1.446 278 2HB TRP 32 1HB TRP 32 -9.816 9.803 -2.017 279 HD1 TRP 32 HD TRP 32 -10.819 6.123 -1.547 280 HE1 TRP 32 1HE TRP 32 -13.388 5.967 -1.531 281 HE3 TRP 32 3HE TRP 32 -11.919 10.974 -2.717 282 HZ2 TRP 32 2HZ TRP 32 -15.584 7.687 -1.957 283 HZ3 TRP 32 3HZ TRP 32 -14.282 11.639 -2.894 284 HH2 TRP 32 HH TRP 32 -16.076 10.028 -2.517 285 H PHE 33 H PHE 33 -9.645 10.912 -3.120 286 HA PHE 33 HA PHE 33 -7.099 11.885 -4.062 287 1HB PHE 33 2HB PHE 33 -9.427 11.976 -5.768 288 2HB PHE 33 1HB PHE 33 -8.920 13.614 -5.348 289 HD1 PHE 33 1HD PHE 33 -8.346 10.821 -7.458 290 HD2 PHE 33 2HD PHE 33 -6.435 14.185 -5.684 291 HE1 PHE 33 1HE PHE 33 -6.569 10.701 -9.154 292 HE2 PHE 33 2HE PHE 33 -4.651 14.068 -7.376 293 HZ PHE 33 HZ PHE 33 -4.720 12.327 -9.114 Start of MODEL 13 1 1H GLY 1 1H GLY 1 18.750 -5.362 0.884 2 2H GLY 1 2H GLY 1 17.314 -5.528 1.774 3 3H GLY 1 3H GLY 1 17.465 -4.287 0.628 4 1HA GLY 1 2HA GLY 1 17.075 -5.627 -1.128 5 2HA GLY 1 1HA GLY 1 17.855 -6.998 -0.353 6 H SER 2 H SER 2 16.387 -8.580 -0.363 7 HA SER 2 HA SER 2 13.628 -7.925 0.392 8 1HB SER 2 2HB SER 2 14.657 -10.512 -0.793 9 2HB SER 2 1HB SER 2 12.978 -9.988 -0.661 10 HG SER 2 HG SER 2 14.998 -8.702 -2.215 11 H ARG 3 H ARG 3 13.749 -7.850 2.620 12 HA ARG 3 HA ARG 3 14.781 -10.175 4.058 13 1HB ARG 3 2HB ARG 3 15.143 -7.839 4.920 14 2HB ARG 3 1HB ARG 3 13.406 -7.725 5.179 15 1HG ARG 3 2HG ARG 3 13.671 -8.630 7.176 16 2HG ARG 3 1HG ARG 3 14.269 -10.106 6.417 17 1HD ARG 3 2HD ARG 3 16.196 -7.883 6.627 18 2HD ARG 3 1HD ARG 3 15.695 -8.612 8.152 19 HE ARG 3 HE ARG 3 17.191 -9.903 5.992 20 1HH1 ARG 3 2HH1 ARG 3 15.692 -10.120 9.160 21 2HH1 ARG 3 1HH1 ARG 3 16.493 -11.604 9.580 22 1HH2 ARG 3 2HH2 ARG 3 18.246 -11.849 6.542 23 2HH2 ARG 3 1HH2 ARG 3 17.946 -12.594 8.084 24 H LEU 4 H LEU 4 11.837 -8.584 3.142 25 HA LEU 4 HA LEU 4 10.199 -10.710 4.333 26 1HB LEU 4 2HB LEU 4 9.408 -8.425 4.702 27 2HB LEU 4 1HB LEU 4 9.443 -8.109 2.979 28 HG LEU 4 HG LEU 4 7.761 -10.382 3.535 29 1HD1 LEU 4 1HD1 LEU 4 6.019 -8.653 4.601 30 2HD1 LEU 4 2HD1 LEU 4 7.032 -9.724 5.570 31 3HD1 LEU 4 3HD1 LEU 4 7.510 -8.045 5.320 32 1HD2 LEU 4 1HD2 LEU 4 6.294 -9.299 2.100 33 2HD2 LEU 4 2HD2 LEU 4 6.850 -7.696 2.580 34 3HD2 LEU 4 3HD2 LEU 4 7.870 -8.714 1.563 35 HA PRO 5 HA PRO 5 10.240 -12.852 0.461 36 1HB PRO 5 2HB PRO 5 7.808 -14.136 0.672 37 2HB PRO 5 1HB PRO 5 9.302 -14.688 1.435 38 1HG PRO 5 2HG PRO 5 7.028 -13.146 2.609 39 2HG PRO 5 1HG PRO 5 7.987 -14.454 3.327 40 1HD PRO 5 2HD PRO 5 8.390 -11.871 3.967 41 2HD PRO 5 1HD PRO 5 9.727 -13.037 3.884 42 H LYS 6 H LYS 6 6.769 -12.565 0.716 43 HA LYS 6 HA LYS 6 6.522 -10.223 -0.854 44 1HB LYS 6 2HB LYS 6 5.484 -11.237 -2.854 45 2HB LYS 6 1HB LYS 6 7.183 -11.648 -2.702 46 1HG LYS 6 2HG LYS 6 6.509 -13.735 -3.119 47 2HG LYS 6 1HG LYS 6 5.997 -13.746 -1.432 48 1HD LYS 6 2HD LYS 6 4.303 -14.517 -3.185 49 2HD LYS 6 1HD LYS 6 3.757 -13.351 -1.981 50 1HE LYS 6 2HE LYS 6 2.994 -12.178 -3.725 51 2HE LYS 6 1HE LYS 6 4.678 -11.728 -3.986 52 1HZ LYS 6 1HZ LYS 6 4.883 -13.640 -5.490 53 2HZ LYS 6 2HZ LYS 6 3.715 -12.529 -6.018 54 3HZ LYS 6 3HZ LYS 6 3.232 -13.980 -5.286 55 H LEU 7 H LEU 7 4.377 -9.550 -1.073 56 HA LEU 7 HA LEU 7 2.300 -11.236 0.108 57 1HB LEU 7 2HB LEU 7 3.331 -8.725 1.273 58 2HB LEU 7 1HB LEU 7 1.595 -8.830 1.154 59 HG LEU 7 HG LEU 7 1.876 -9.652 3.255 60 1HD1 LEU 7 1HD1 LEU 7 2.504 -12.262 1.940 61 2HD1 LEU 7 2HD1 LEU 7 1.409 -11.916 3.278 62 3HD1 LEU 7 3HD1 LEU 7 0.968 -11.452 1.635 63 1HD2 LEU 7 1HD2 LEU 7 4.586 -10.073 2.365 64 2HD2 LEU 7 2HD2 LEU 7 3.963 -9.778 3.989 65 3HD2 LEU 7 3HD2 LEU 7 4.018 -11.421 3.350 66 H TYR 8 H TYR 8 0.829 -8.521 0.176 67 HA TYR 8 HA TYR 8 0.367 -8.287 -2.720 68 1HB TYR 8 2HB TYR 8 -1.698 -8.086 -0.509 69 2HB TYR 8 1HB TYR 8 -2.006 -7.839 -2.230 70 HD1 TYR 8 1HD TYR 8 -2.460 -9.664 -3.642 71 HD2 TYR 8 2HD TYR 8 -0.900 -10.360 0.249 72 HE1 TYR 8 1HE TYR 8 -2.827 -12.072 -3.929 73 HE2 TYR 8 2HE TYR 8 -1.256 -12.762 -0.023 74 HH TYR 8 HH TYR 8 -2.261 -14.353 -1.285 75 H LEU 9 H LEU 9 1.673 -6.562 -2.979 76 HA LEU 9 HA LEU 9 1.795 -4.402 -1.161 77 1HB LEU 9 2HB LEU 9 3.605 -5.176 -2.726 78 2HB LEU 9 1HB LEU 9 2.704 -4.434 -4.033 79 HG LEU 9 HG LEU 9 3.033 -2.244 -3.123 80 1HD1 LEU 9 1HD1 LEU 9 2.805 -2.854 -0.745 81 2HD1 LEU 9 2HD1 LEU 9 4.424 -3.553 -0.791 82 3HD1 LEU 9 3HD1 LEU 9 4.204 -1.824 -1.051 83 1HD2 LEU 9 1HD2 LEU 9 4.852 -2.976 -4.464 84 2HD2 LEU 9 2HD2 LEU 9 5.543 -2.161 -3.061 85 3HD2 LEU 9 3HD2 LEU 9 5.529 -3.922 -3.138 86 H CYS 10 H CYS 10 0.501 -2.745 -0.930 87 HA CYS 10 HA CYS 10 -1.755 -2.237 -2.492 88 1HB CYS 10 2HB CYS 10 -2.133 -1.207 -0.538 89 2HB CYS 10 1HB CYS 10 -0.419 -1.111 -0.175 90 H GLU 11 H GLU 11 1.383 -0.670 -2.396 91 HA GLU 11 HA GLU 11 2.657 0.341 -3.946 92 1HB GLU 11 2HB GLU 11 2.327 -0.062 -6.123 93 2HB GLU 11 1HB GLU 11 1.016 -1.092 -5.563 94 1HG GLU 11 2HG GLU 11 -0.597 0.409 -6.150 95 2HG GLU 11 1HG GLU 11 0.500 1.780 -6.044 96 H PHE 12 H PHE 12 -0.471 1.438 -3.085 97 HA PHE 12 HA PHE 12 -0.088 4.123 -4.106 98 1HB PHE 12 2HB PHE 12 -2.144 3.084 -2.142 99 2HB PHE 12 1HB PHE 12 -2.171 4.652 -2.941 100 HD1 PHE 12 1HD PHE 12 -1.363 3.762 -5.698 101 HD2 PHE 12 2HD PHE 12 -4.140 2.155 -2.903 102 HE1 PHE 12 1HE PHE 12 -2.666 2.799 -7.550 103 HE2 PHE 12 2HE PHE 12 -5.447 1.188 -4.748 104 HZ PHE 12 HZ PHE 12 -4.710 1.508 -7.074 105 H CYS 13 H CYS 13 -0.174 2.547 -0.933 106 HA CYS 13 HA CYS 13 1.558 4.713 0.051 107 1HB CYS 13 2HB CYS 13 0.757 4.357 2.302 108 2HB CYS 13 1HB CYS 13 -0.625 4.641 1.252 109 H LEU 14 H LEU 14 1.465 1.687 -1.068 110 HA LEU 14 HA LEU 14 2.900 -0.053 -1.124 111 1HB LEU 14 2HB LEU 14 4.744 1.848 0.320 112 2HB LEU 14 1HB LEU 14 5.229 0.315 -0.379 113 HG LEU 14 HG LEU 14 3.879 2.070 -2.289 114 1HD1 LEU 14 1HD1 LEU 14 6.626 2.949 -1.530 115 2HD1 LEU 14 2HD1 LEU 14 5.364 3.816 -2.407 116 3HD1 LEU 14 3HD1 LEU 14 5.232 3.593 -0.662 117 1HD2 LEU 14 1HD2 LEU 14 5.990 1.498 -3.568 118 2HD2 LEU 14 2HD2 LEU 14 6.431 0.485 -2.194 119 3HD2 LEU 14 3HD2 LEU 14 4.961 0.141 -3.105 120 H LYS 15 H LYS 15 1.060 -0.499 0.598 121 HA LYS 15 HA LYS 15 2.364 -1.431 3.066 122 1HB LYS 15 2HB LYS 15 0.148 -0.003 3.019 123 2HB LYS 15 1HB LYS 15 -0.601 -1.542 2.623 124 1HG LYS 15 2HG LYS 15 -0.770 -1.227 4.971 125 2HG LYS 15 1HG LYS 15 0.431 -2.490 4.689 126 1HD LYS 15 2HD LYS 15 1.875 -1.318 5.906 127 2HD LYS 15 1HD LYS 15 1.831 -0.056 4.674 128 1HE LYS 15 2HE LYS 15 -0.437 0.504 6.017 129 2HE LYS 15 1HE LYS 15 0.538 -0.173 7.321 130 1HZ LYS 15 1HZ LYS 15 0.712 2.299 6.967 131 2HZ LYS 15 2HZ LYS 15 1.542 1.960 5.527 132 3HZ LYS 15 3HZ LYS 15 2.182 1.457 7.015 133 H TYR 16 H TYR 16 2.302 -3.640 3.570 134 HA TYR 16 HA TYR 16 1.705 -5.344 1.268 135 1HB TYR 16 2HB TYR 16 3.422 -5.693 3.712 136 2HB TYR 16 1HB TYR 16 2.965 -7.068 2.711 137 HD1 TYR 16 1HD TYR 16 3.446 -6.796 0.152 138 HD2 TYR 16 2HD TYR 16 5.344 -4.527 3.204 139 HE1 TYR 16 1HE TYR 16 5.311 -6.312 -1.376 140 HE2 TYR 16 2HE TYR 16 7.215 -4.032 1.685 141 HH TYR 16 HH TYR 16 8.249 -4.869 -0.294 142 H MET 17 H MET 17 -0.231 -6.209 1.224 143 HA MET 17 HA MET 17 -1.655 -6.730 3.719 144 1HB MET 17 2HB MET 17 -2.853 -7.379 1.063 145 2HB MET 17 1HB MET 17 -3.624 -6.767 2.515 146 1HG MET 17 2HG MET 17 -2.065 -5.259 0.447 147 2HG MET 17 1HG MET 17 -3.744 -5.046 0.935 148 1HE MET 17 1HE MET 17 -3.755 -3.119 4.081 149 2HE MET 17 2HE MET 17 -4.459 -4.474 3.197 150 3HE MET 17 3HE MET 17 -3.271 -4.771 4.466 151 H LYS 18 H LYS 18 -2.506 -8.767 4.250 152 HA LYS 18 HA LYS 18 -0.678 -10.877 3.621 153 1HB LYS 18 2HB LYS 18 -3.212 -11.004 5.262 154 2HB LYS 18 1HB LYS 18 -1.895 -12.169 5.278 155 1HG LYS 18 2HG LYS 18 -0.944 -9.500 5.843 156 2HG LYS 18 1HG LYS 18 -2.218 -9.991 6.960 157 1HD LYS 18 2HD LYS 18 -0.521 -10.956 8.080 158 2HD LYS 18 1HD LYS 18 -0.722 -12.241 6.887 159 1HE LYS 18 2HE LYS 18 1.372 -11.911 6.228 160 2HE LYS 18 1HE LYS 18 0.921 -10.291 5.699 161 1HZ LYS 18 1HZ LYS 18 1.263 -9.714 8.185 162 2HZ LYS 18 2HZ LYS 18 2.612 -9.867 7.171 163 3HZ LYS 18 3HZ LYS 18 2.190 -11.132 8.217 164 H SER 19 H SER 19 -3.935 -10.060 2.672 165 HA SER 19 HA SER 19 -3.853 -12.256 0.744 166 1HB SER 19 2HB SER 19 -6.457 -11.694 2.117 167 2HB SER 19 1HB SER 19 -5.902 -13.173 1.331 168 HG SER 19 HG SER 19 -4.696 -13.683 3.089 169 H ARG 20 H ARG 20 -5.205 -11.923 -1.112 170 HA ARG 20 HA ARG 20 -5.196 -9.231 -1.996 171 1HB ARG 20 2HB ARG 20 -5.220 -11.597 -3.274 172 2HB ARG 20 1HB ARG 20 -6.921 -11.176 -3.421 173 1HG ARG 20 2HG ARG 20 -6.313 -9.060 -4.479 174 2HG ARG 20 1HG ARG 20 -4.605 -9.468 -4.315 175 1HD ARG 20 2HD ARG 20 -6.377 -11.409 -5.703 176 2HD ARG 20 1HD ARG 20 -5.953 -9.926 -6.557 177 HE ARG 20 HE ARG 20 -3.680 -10.581 -6.513 178 1HH1 ARG 20 2HH1 ARG 20 -5.900 -13.030 -5.327 179 2HH1 ARG 20 1HH1 ARG 20 -4.717 -14.307 -5.376 180 1HH2 ARG 20 2HH2 ARG 20 -2.125 -12.256 -6.584 181 2HH2 ARG 20 1HH2 ARG 20 -2.562 -13.860 -6.061 182 H THR 21 H THR 21 -7.572 -11.185 -0.420 183 HA THR 21 HA THR 21 -9.925 -9.808 -1.078 184 HB THR 21 HB THR 21 -10.323 -10.610 1.508 185 HG1 THR 21 1HG THR 21 -9.053 -12.402 1.891 186 1HG2 THR 21 1HG2 THR 21 -10.407 -12.234 -1.033 187 2HG2 THR 21 2HG2 THR 21 -11.717 -11.285 -0.329 188 3HG2 THR 21 3HG2 THR 21 -11.145 -12.741 0.488 189 H ILE 22 H ILE 22 -7.613 -9.385 1.567 190 HA ILE 22 HA ILE 22 -8.867 -7.141 2.763 191 HB ILE 22 HB ILE 22 -6.107 -8.329 2.927 192 1HG1 ILE 22 2HG1 ILE 22 -7.414 -8.109 5.431 193 1HG2 ILE 22 1HG2 ILE 22 -7.086 -5.836 4.294 194 2HG2 ILE 22 2HG2 ILE 22 -5.667 -6.751 4.800 195 3HG2 ILE 22 3HG2 ILE 22 -5.706 -6.000 3.207 196 1HD1 ILE 22 1HD1 ILE 22 -7.261 -10.587 3.747 197 2HD1 ILE 22 2HD1 ILE 22 -5.884 -9.928 4.634 198 3HD1 ILE 22 3HD1 ILE 22 -7.321 -10.461 5.506 199 H LEU 23 H LEU 23 -6.257 -7.550 0.420 200 HA LEU 23 HA LEU 23 -5.497 -4.871 0.117 201 1HB LEU 23 2HB LEU 23 -4.147 -6.636 -0.770 202 2HB LEU 23 1HB LEU 23 -5.454 -7.206 -1.789 203 HG LEU 23 HG LEU 23 -5.264 -4.888 -2.942 204 1HD1 LEU 23 1HD1 LEU 23 -3.322 -3.674 -2.696 205 2HD1 LEU 23 2HD1 LEU 23 -3.626 -4.189 -1.037 206 3HD1 LEU 23 3HD1 LEU 23 -2.434 -5.039 -2.019 207 1HD2 LEU 23 1HD2 LEU 23 -4.376 -7.327 -3.580 208 2HD2 LEU 23 2HD2 LEU 23 -4.076 -5.904 -4.578 209 3HD2 LEU 23 3HD2 LEU 23 -2.835 -6.476 -3.465 210 H GLN 24 H GLN 24 -8.074 -6.743 -1.350 211 HA GLN 24 HA GLN 24 -8.862 -4.899 -3.315 212 1HB GLN 24 2HB GLN 24 -9.684 -7.430 -2.427 213 2HB GLN 24 1HB GLN 24 -11.098 -6.398 -2.269 214 1HG GLN 24 2HG GLN 24 -9.486 -6.474 -4.791 215 2HG GLN 24 1HG GLN 24 -10.762 -7.647 -4.466 216 1HE2 GLN 24 1HE2 GLN 24 -10.022 -4.568 -5.619 217 2HE2 GLN 24 2HE2 GLN 24 -11.646 -3.974 -5.794 218 H GLN 25 H GLN 25 -9.440 -5.004 0.110 219 HA GLN 25 HA GLN 25 -11.569 -3.019 -0.044 220 1HB GLN 25 2HB GLN 25 -10.247 -3.961 2.491 221 2HB GLN 25 1HB GLN 25 -11.860 -3.297 2.286 222 1HG GLN 25 2HG GLN 25 -10.867 -6.034 1.582 223 2HG GLN 25 1HG GLN 25 -12.153 -5.585 2.697 224 1HE2 GLN 25 1HE2 GLN 25 -11.694 -7.081 -0.049 225 2HE2 GLN 25 2HE2 GLN 25 -13.131 -6.655 -0.924 226 H HIS 26 H HIS 26 -8.224 -3.353 0.949 227 HA HIS 26 HA HIS 26 -7.803 -0.841 2.075 228 1HB HIS 26 2HB HIS 26 -6.190 -2.666 2.270 229 2HB HIS 26 1HB HIS 26 -5.875 -2.605 0.540 230 HD1 HIS 26 1HD HIS 26 -4.902 -1.032 3.763 231 HD2 HIS 26 2HD HIS 26 -4.417 -0.318 -0.320 232 HE1 HIS 26 1HE HIS 26 -3.113 0.765 3.543 233 H MET 27 H MET 27 -7.600 -1.893 -1.289 234 HA MET 27 HA MET 27 -6.461 0.451 -2.321 235 1HB MET 27 2HB MET 27 -7.979 -1.842 -3.476 236 2HB MET 27 1HB MET 27 -7.676 -0.434 -4.482 237 1HG MET 27 2HG MET 27 -5.248 -0.683 -3.955 238 2HG MET 27 1HG MET 27 -5.641 -2.207 -3.160 239 1HE MET 27 1HE MET 27 -3.588 -2.493 -4.810 240 2HE MET 27 2HE MET 27 -3.831 -3.316 -6.349 241 3HE MET 27 3HE MET 27 -3.750 -1.556 -6.293 242 H LYS 28 H LYS 28 -9.604 -0.115 -1.184 243 HA LYS 28 HA LYS 28 -10.946 1.810 -2.839 244 1HB LYS 28 2HB LYS 28 -11.664 -0.005 -0.659 245 2HB LYS 28 1HB LYS 28 -12.498 1.541 -0.579 246 1HG LYS 28 2HG LYS 28 -13.945 0.330 -1.859 247 2HG LYS 28 1HG LYS 28 -12.956 1.092 -3.109 248 1HD LYS 28 2HD LYS 28 -12.218 -0.883 -3.836 249 2HD LYS 28 1HD LYS 28 -11.796 -1.399 -2.200 250 1HE LYS 28 2HE LYS 28 -14.190 -1.949 -1.820 251 2HE LYS 28 1HE LYS 28 -14.505 -1.559 -3.510 252 1HZ LYS 28 1HZ LYS 28 -14.075 -3.991 -2.820 253 2HZ LYS 28 2HZ LYS 28 -12.439 -3.539 -2.830 254 3HZ LYS 28 3HZ LYS 28 -13.367 -3.397 -4.242 255 H LYS 29 H LYS 29 -9.725 1.758 0.508 256 HA LYS 29 HA LYS 29 -10.441 4.498 0.919 257 1HB LYS 29 2HB LYS 29 -8.947 4.181 3.023 258 2HB LYS 29 1HB LYS 29 -10.480 3.329 2.922 259 1HG LYS 29 2HG LYS 29 -9.338 1.500 3.420 260 2HG LYS 29 1HG LYS 29 -8.701 1.569 1.778 261 1HD LYS 29 2HD LYS 29 -6.825 1.374 3.218 262 2HD LYS 29 1HD LYS 29 -6.866 3.052 2.675 263 1HE LYS 29 2HE LYS 29 -8.291 3.360 4.873 264 2HE LYS 29 1HE LYS 29 -7.423 1.907 5.363 265 1HZ LYS 29 1HZ LYS 29 -6.424 4.205 5.883 266 2HZ LYS 29 2HZ LYS 29 -5.953 4.208 4.255 267 3HZ LYS 29 3HZ LYS 29 -5.400 2.985 5.298 268 H CYS 30 H CYS 30 -7.506 2.769 0.114 269 HA CYS 30 HA CYS 30 -5.774 5.004 0.386 270 1HB CYS 30 2HB CYS 30 -5.353 2.361 0.173 271 2HB CYS 30 1HB CYS 30 -5.032 2.834 -1.493 272 H GLY 31 H GLY 31 -7.821 3.826 -2.168 273 1HA GLY 31 1HA GLY 31 -6.634 5.389 -4.262 274 2HA GLY 31 2HA GLY 31 -8.215 4.610 -4.305 275 H TRP 32 H TRP 32 -8.582 6.115 -1.605 276 HA TRP 32 HA TRP 32 -9.633 8.557 -2.838 277 1HB TRP 32 2HB TRP 32 -10.442 6.876 -0.533 278 2HB TRP 32 1HB TRP 32 -10.664 8.614 -0.348 279 HD1 TRP 32 HD TRP 32 -11.994 5.617 -2.269 280 HE1 TRP 32 1HE TRP 32 -14.132 6.303 -3.521 281 HE3 TRP 32 3HE TRP 32 -11.822 10.658 -1.452 282 HZ2 TRP 32 2HZ TRP 32 -15.547 8.673 -4.095 283 HZ3 TRP 32 3HZ TRP 32 -13.608 12.067 -2.394 284 HH2 TRP 32 HH TRP 32 -15.435 11.091 -3.685 285 H PHE 33 H PHE 33 -8.379 7.719 0.385 286 HA PHE 33 HA PHE 33 -6.403 9.842 0.186 287 1HB PHE 33 2HB PHE 33 -8.856 10.259 1.529 288 2HB PHE 33 1HB PHE 33 -7.636 10.026 2.782 289 HD1 PHE 33 1HD PHE 33 -6.403 11.833 3.479 290 HD2 PHE 33 2HD PHE 33 -8.181 11.915 -0.385 291 HE1 PHE 33 1HE PHE 33 -5.654 14.158 3.188 292 HE2 PHE 33 2HE PHE 33 -7.431 14.238 -0.685 293 HZ PHE 33 HZ PHE 33 -6.164 15.360 1.103 Start of MODEL 14 1 1H GLY 1 1H GLY 1 12.518 -21.592 5.963 2 2H GLY 1 2H GLY 1 13.163 -21.602 4.395 3 3H GLY 1 3H GLY 1 12.512 -23.022 5.048 4 1HA GLY 1 2HA GLY 1 10.668 -22.484 3.942 5 2HA GLY 1 1HA GLY 1 10.426 -21.349 5.265 6 H SER 2 H SER 2 9.420 -19.747 4.107 7 HA SER 2 HA SER 2 10.531 -18.730 1.653 8 1HB SER 2 2HB SER 2 8.725 -16.879 2.897 9 2HB SER 2 1HB SER 2 8.474 -17.869 1.459 10 HG SER 2 HG SER 2 7.659 -19.499 2.704 11 H ARG 3 H ARG 3 11.398 -16.600 1.368 12 HA ARG 3 HA ARG 3 12.986 -15.734 3.672 13 1HB ARG 3 2HB ARG 3 13.265 -15.587 0.740 14 2HB ARG 3 1HB ARG 3 13.787 -14.147 1.603 15 1HG ARG 3 2HG ARG 3 15.463 -15.285 2.741 16 2HG ARG 3 1HG ARG 3 14.733 -16.861 2.432 17 1HD ARG 3 2HD ARG 3 15.645 -17.030 0.371 18 2HD ARG 3 1HD ARG 3 15.485 -15.305 0.048 19 HE ARG 3 HE ARG 3 17.703 -16.632 1.433 20 1HH1 ARG 3 2HH1 ARG 3 16.263 -13.693 0.185 21 2HH1 ARG 3 1HH1 ARG 3 17.752 -12.796 0.202 22 1HH2 ARG 3 2HH2 ARG 3 19.662 -15.472 1.468 23 2HH2 ARG 3 1HH2 ARG 3 19.695 -13.812 0.931 24 H LEU 4 H LEU 4 11.802 -13.769 1.007 25 HA LEU 4 HA LEU 4 10.166 -12.228 2.894 26 1HB LEU 4 2HB LEU 4 12.488 -11.275 1.677 27 2HB LEU 4 1HB LEU 4 11.188 -10.623 0.696 28 HG LEU 4 HG LEU 4 11.267 -10.310 3.691 29 1HD1 LEU 4 1HD1 LEU 4 11.976 -8.030 1.958 30 2HD1 LEU 4 2HD1 LEU 4 12.574 -8.475 3.556 31 3HD1 LEU 4 3HD1 LEU 4 13.195 -9.292 2.123 32 1HD2 LEU 4 1HD2 LEU 4 9.477 -9.491 1.525 33 2HD2 LEU 4 2HD2 LEU 4 9.179 -9.626 3.258 34 3HD2 LEU 4 3HD2 LEU 4 9.947 -8.178 2.605 35 HA PRO 5 HA PRO 5 7.659 -13.977 -0.574 36 1HB PRO 5 2HB PRO 5 5.557 -13.440 1.458 37 2HB PRO 5 1HB PRO 5 5.837 -14.888 0.485 38 1HG PRO 5 2HG PRO 5 6.450 -14.841 3.076 39 2HG PRO 5 1HG PRO 5 7.477 -15.687 1.904 40 1HD PRO 5 2HD PRO 5 7.899 -13.047 3.237 41 2HD PRO 5 1HD PRO 5 9.083 -14.305 2.823 42 H LYS 6 H LYS 6 6.768 -12.778 -2.129 43 HA LYS 6 HA LYS 6 6.437 -9.955 -1.691 44 1HB LYS 6 2HB LYS 6 7.370 -10.918 -3.806 45 2HB LYS 6 1HB LYS 6 5.772 -11.558 -4.167 46 1HG LYS 6 2HG LYS 6 5.830 -9.606 -5.393 47 2HG LYS 6 1HG LYS 6 4.987 -9.112 -3.926 48 1HD LYS 6 2HD LYS 6 7.320 -8.441 -3.068 49 2HD LYS 6 1HD LYS 6 7.809 -8.534 -4.761 50 1HE LYS 6 2HE LYS 6 5.458 -6.907 -3.827 51 2HE LYS 6 1HE LYS 6 7.093 -6.255 -3.914 52 1HZ LYS 6 1HZ LYS 6 5.557 -7.390 -6.192 53 2HZ LYS 6 2HZ LYS 6 7.132 -6.764 -6.280 54 3HZ LYS 6 3HZ LYS 6 5.832 -5.743 -5.907 55 H LEU 7 H LEU 7 4.753 -9.668 -0.314 56 HA LEU 7 HA LEU 7 2.252 -10.972 -0.523 57 1HB LEU 7 2HB LEU 7 3.300 -8.624 0.981 58 2HB LEU 7 1HB LEU 7 1.570 -8.813 0.867 59 HG LEU 7 HG LEU 7 2.090 -9.793 2.899 60 1HD1 LEU 7 1HD1 LEU 7 1.366 -11.521 0.742 61 2HD1 LEU 7 2HD1 LEU 7 2.340 -12.418 1.905 62 3HD1 LEU 7 3HD1 LEU 7 0.877 -11.591 2.435 63 1HD2 LEU 7 1HD2 LEU 7 4.621 -10.409 1.597 64 2HD2 LEU 7 2HD2 LEU 7 4.261 -10.104 3.297 65 3HD2 LEU 7 3HD2 LEU 7 4.026 -11.716 2.620 66 H TYR 8 H TYR 8 0.315 -9.143 -0.401 67 HA TYR 8 HA TYR 8 0.151 -8.186 -3.134 68 1HB TYR 8 2HB TYR 8 -1.967 -7.886 -0.998 69 2HB TYR 8 1HB TYR 8 -2.177 -7.905 -2.750 70 HD1 TYR 8 1HD TYR 8 -2.690 -9.919 -3.849 71 HD2 TYR 8 2HD TYR 8 -1.161 -10.044 0.117 72 HE1 TYR 8 1HE TYR 8 -3.115 -12.338 -3.762 73 HE2 TYR 8 2HE TYR 8 -1.569 -12.455 0.212 74 HH TYR 8 HH TYR 8 -1.773 -14.372 -1.847 75 H LEU 9 H LEU 9 1.489 -6.474 -3.274 76 HA LEU 9 HA LEU 9 1.626 -4.481 -1.225 77 1HB LEU 9 2HB LEU 9 3.564 -5.193 -2.567 78 2HB LEU 9 1HB LEU 9 2.807 -4.533 -4.003 79 HG LEU 9 HG LEU 9 2.991 -2.278 -3.097 80 1HD1 LEU 9 1HD1 LEU 9 3.875 -1.752 -1.012 81 2HD1 LEU 9 2HD1 LEU 9 2.823 -3.128 -0.682 82 3HD1 LEU 9 3HD1 LEU 9 4.568 -3.359 -0.795 83 1HD2 LEU 9 1HD2 LEU 9 5.629 -2.426 -2.741 84 2HD2 LEU 9 2HD2 LEU 9 5.349 -4.030 -3.420 85 3HD2 LEU 9 3HD2 LEU 9 4.865 -2.593 -4.322 86 H CYS 10 H CYS 10 0.322 -2.801 -0.996 87 HA CYS 10 HA CYS 10 -1.687 -2.067 -2.788 88 1HB CYS 10 2HB CYS 10 -2.318 -1.011 -0.928 89 2HB CYS 10 1HB CYS 10 -0.779 -1.382 -0.191 90 H GLU 11 H GLU 11 1.561 -0.859 -2.258 91 HA GLU 11 HA GLU 11 3.036 0.247 -3.547 92 1HB GLU 11 2HB GLU 11 1.179 -0.896 -5.452 93 2HB GLU 11 1HB GLU 11 1.884 0.602 -6.047 94 1HG GLU 11 2HG GLU 11 4.102 -0.260 -5.720 95 2HG GLU 11 1HG GLU 11 3.463 -1.728 -4.985 96 H PHE 12 H PHE 12 0.148 1.525 -2.686 97 HA PHE 12 HA PHE 12 0.789 4.153 -3.858 98 1HB PHE 12 2HB PHE 12 -1.747 3.375 -2.416 99 2HB PHE 12 1HB PHE 12 -1.467 4.817 -3.390 100 HD1 PHE 12 1HD PHE 12 -3.221 1.918 -3.414 101 HD2 PHE 12 2HD PHE 12 -0.421 4.012 -5.845 102 HE1 PHE 12 1HE PHE 12 -4.054 0.727 -5.396 103 HE2 PHE 12 2HE PHE 12 -1.254 2.827 -7.833 104 HZ PHE 12 HZ PHE 12 -3.070 1.177 -7.611 105 H CYS 13 H CYS 13 -0.186 2.590 -0.853 106 HA CYS 13 HA CYS 13 1.234 4.625 0.725 107 1HB CYS 13 2HB CYS 13 -0.024 2.182 1.933 108 2HB CYS 13 1HB CYS 13 0.210 3.774 2.640 109 H LEU 14 H LEU 14 1.450 1.636 -0.820 110 HA LEU 14 HA LEU 14 3.072 0.090 -1.088 111 1HB LEU 14 2HB LEU 14 4.731 2.076 0.454 112 2HB LEU 14 1HB LEU 14 5.374 0.584 -0.206 113 HG LEU 14 HG LEU 14 3.941 2.374 -2.091 114 1HD1 LEU 14 1HD1 LEU 14 6.210 3.554 -2.408 115 2HD1 LEU 14 2HD1 LEU 14 5.142 4.093 -1.114 116 3HD1 LEU 14 3HD1 LEU 14 6.522 3.058 -0.744 117 1HD2 LEU 14 1HD2 LEU 14 5.730 0.150 -2.174 118 2HD2 LEU 14 2HD2 LEU 14 4.862 0.928 -3.498 119 3HD2 LEU 14 3HD2 LEU 14 6.459 1.514 -3.021 120 H LYS 15 H LYS 15 1.177 -0.284 0.811 121 HA LYS 15 HA LYS 15 2.569 -1.518 3.079 122 1HB LYS 15 2HB LYS 15 -0.405 -1.219 2.610 123 2HB LYS 15 1HB LYS 15 0.368 -1.786 4.083 124 1HG LYS 15 2HG LYS 15 0.995 0.930 3.021 125 2HG LYS 15 1HG LYS 15 -0.489 0.649 3.936 126 1HD LYS 15 2HD LYS 15 0.666 0.100 5.875 127 2HD LYS 15 1HD LYS 15 2.149 -0.282 4.998 128 1HE LYS 15 2HE LYS 15 2.590 1.763 6.059 129 2HE LYS 15 1HE LYS 15 2.229 2.195 4.388 130 1HZ LYS 15 1HZ LYS 15 -0.166 2.482 5.302 131 2HZ LYS 15 2HZ LYS 15 0.977 3.706 5.561 132 3HZ LYS 15 3HZ LYS 15 0.606 2.617 6.807 133 H TYR 16 H TYR 16 2.403 -3.734 3.472 134 HA TYR 16 HA TYR 16 1.757 -5.290 1.077 135 1HB TYR 16 2HB TYR 16 3.523 -5.765 3.456 136 2HB TYR 16 1HB TYR 16 2.988 -7.115 2.459 137 HD1 TYR 16 1HD TYR 16 3.447 -6.943 -0.074 138 HD2 TYR 16 2HD TYR 16 5.390 -4.529 2.839 139 HE1 TYR 16 1HE TYR 16 5.267 -6.489 -1.671 140 HE2 TYR 16 2HE TYR 16 7.212 -4.069 1.254 141 HH TYR 16 HH TYR 16 8.135 -5.538 -0.965 142 H MET 17 H MET 17 -0.206 -6.114 1.017 143 HA MET 17 HA MET 17 -1.632 -6.686 3.485 144 1HB MET 17 2HB MET 17 -2.531 -7.001 0.630 145 2HB MET 17 1HB MET 17 -3.558 -7.125 2.044 146 1HG MET 17 2HG MET 17 -2.032 -4.644 1.321 147 2HG MET 17 1HG MET 17 -3.680 -4.964 0.792 148 1HE MET 17 1HE MET 17 -1.534 -3.269 2.918 149 2HE MET 17 2HE MET 17 -2.406 -2.833 4.386 150 3HE MET 17 3HE MET 17 -1.519 -4.355 4.308 151 H LYS 18 H LYS 18 -2.247 -8.686 4.176 152 HA LYS 18 HA LYS 18 -0.515 -10.814 3.299 153 1HB LYS 18 2HB LYS 18 -2.177 -10.230 5.634 154 2HB LYS 18 1HB LYS 18 -2.187 -11.928 5.179 155 1HG LYS 18 2HG LYS 18 -0.431 -11.811 6.673 156 2HG LYS 18 1HG LYS 18 0.383 -11.696 5.112 157 1HD LYS 18 2HD LYS 18 -0.374 -9.078 5.988 158 2HD LYS 18 1HD LYS 18 0.516 -9.894 7.274 159 1HE LYS 18 2HE LYS 18 1.879 -10.484 4.901 160 2HE LYS 18 1HE LYS 18 1.484 -8.770 4.811 161 1HZ LYS 18 1HZ LYS 18 2.986 -8.289 6.365 162 2HZ LYS 18 2HZ LYS 18 3.593 -9.855 6.147 163 3HZ LYS 18 3HZ LYS 18 2.479 -9.543 7.389 164 H SER 19 H SER 19 -3.797 -9.924 2.751 165 HA SER 19 HA SER 19 -4.153 -12.377 1.190 166 1HB SER 19 2HB SER 19 -6.472 -11.232 2.724 167 2HB SER 19 1HB SER 19 -6.267 -12.857 2.068 168 HG SER 19 HG SER 19 -4.739 -13.282 3.671 169 H ARG 20 H ARG 20 -5.410 -12.159 -0.672 170 HA ARG 20 HA ARG 20 -5.292 -9.686 -1.974 171 1HB ARG 20 2HB ARG 20 -5.493 -12.121 -2.896 172 2HB ARG 20 1HB ARG 20 -7.225 -11.817 -2.817 173 1HG ARG 20 2HG ARG 20 -7.178 -10.330 -4.521 174 2HG ARG 20 1HG ARG 20 -5.556 -9.765 -4.119 175 1HD ARG 20 2HD ARG 20 -4.801 -12.109 -4.900 176 2HD ARG 20 1HD ARG 20 -6.376 -12.177 -5.690 177 HE ARG 20 HE ARG 20 -5.576 -9.922 -6.690 178 1HH1 ARG 20 2HH1 ARG 20 -3.569 -12.727 -6.038 179 2HH1 ARG 20 1HH1 ARG 20 -2.446 -12.369 -7.319 180 1HH2 ARG 20 2HH2 ARG 20 -4.108 -9.479 -8.390 181 2HH2 ARG 20 1HH2 ARG 20 -2.748 -10.536 -8.641 182 H THR 21 H THR 21 -7.959 -11.359 -0.396 183 HA THR 21 HA THR 21 -10.040 -9.622 -1.050 184 HB THR 21 HB THR 21 -10.717 -10.439 1.465 185 HG1 THR 21 1HG THR 21 -9.063 -12.522 0.420 186 1HG2 THR 21 1HG2 THR 21 -12.148 -11.852 0.394 187 2HG2 THR 21 2HG2 THR 21 -10.885 -12.514 -0.645 188 3HG2 THR 21 3HG2 THR 21 -11.594 -10.941 -1.012 189 H ILE 22 H ILE 22 -7.713 -9.549 1.598 190 HA ILE 22 HA ILE 22 -8.738 -7.279 2.920 191 HB ILE 22 HB ILE 22 -6.161 -8.783 2.984 192 1HG1 ILE 22 2HG1 ILE 22 -7.743 -7.892 5.357 193 1HG2 ILE 22 1HG2 ILE 22 -5.746 -6.947 4.943 194 2HG2 ILE 22 2HG2 ILE 22 -4.992 -6.908 3.347 195 3HG2 ILE 22 3HG2 ILE 22 -6.438 -5.950 3.662 196 1HD1 ILE 22 1HD1 ILE 22 -6.315 -10.447 4.667 197 2HD1 ILE 22 2HD1 ILE 22 -5.782 -9.205 5.803 198 3HD1 ILE 22 3HD1 ILE 22 -7.225 -10.158 6.152 199 H LEU 23 H LEU 23 -6.278 -7.692 0.403 200 HA LEU 23 HA LEU 23 -5.438 -5.010 0.265 201 1HB LEU 23 2HB LEU 23 -4.124 -6.711 -0.781 202 2HB LEU 23 1HB LEU 23 -5.470 -7.213 -1.787 203 HG LEU 23 HG LEU 23 -5.284 -4.714 -2.669 204 1HD1 LEU 23 1HD1 LEU 23 -3.486 -4.129 -1.090 205 2HD1 LEU 23 2HD1 LEU 23 -2.454 -5.344 -1.844 206 3HD1 LEU 23 3HD1 LEU 23 -2.996 -3.948 -2.774 207 1HD2 LEU 23 1HD2 LEU 23 -3.679 -7.121 -3.467 208 2HD2 LEU 23 2HD2 LEU 23 -5.157 -6.485 -4.189 209 3HD2 LEU 23 3HD2 LEU 23 -3.633 -5.619 -4.393 210 H GLN 24 H GLN 24 -8.050 -6.760 -1.318 211 HA GLN 24 HA GLN 24 -8.880 -4.662 -3.028 212 1HB GLN 24 2HB GLN 24 -10.242 -7.127 -1.962 213 2HB GLN 24 1HB GLN 24 -11.097 -5.973 -2.976 214 1HG GLN 24 2HG GLN 24 -8.641 -7.546 -3.711 215 2HG GLN 24 1HG GLN 24 -10.276 -7.783 -4.323 216 1HE2 GLN 24 1HE2 GLN 24 -7.455 -6.815 -5.321 217 2HE2 GLN 24 2HE2 GLN 24 -7.871 -5.516 -6.390 218 H GLN 25 H GLN 25 -9.364 -5.310 0.333 219 HA GLN 25 HA GLN 25 -11.567 -3.438 0.590 220 1HB GLN 25 2HB GLN 25 -9.980 -4.997 2.636 221 2HB GLN 25 1HB GLN 25 -11.305 -3.915 3.041 222 1HG GLN 25 2HG GLN 25 -12.901 -5.339 2.234 223 2HG GLN 25 1HG GLN 25 -11.806 -6.078 1.066 224 1HE2 GLN 25 1HE2 GLN 25 -12.957 -7.998 2.033 225 2HE2 GLN 25 2HE2 GLN 25 -12.201 -8.745 3.397 226 H HIS 26 H HIS 26 -8.106 -3.537 1.029 227 HA HIS 26 HA HIS 26 -7.849 -1.131 2.512 228 1HB HIS 26 2HB HIS 26 -5.969 -2.614 2.550 229 2HB HIS 26 1HB HIS 26 -5.888 -2.673 0.791 230 HD1 HIS 26 1HD HIS 26 -5.077 -0.398 3.707 231 HD2 HIS 26 2HD HIS 26 -4.468 -0.627 -0.412 232 HE1 HIS 26 1HE HIS 26 -3.613 1.579 3.072 233 H MET 27 H MET 27 -7.627 -1.894 -0.938 234 HA MET 27 HA MET 27 -7.084 0.782 -1.731 235 1HB MET 27 2HB MET 27 -7.866 -1.723 -3.173 236 2HB MET 27 1HB MET 27 -7.881 -0.185 -4.022 237 1HG MET 27 2HG MET 27 -5.504 0.130 -3.307 238 2HG MET 27 1HG MET 27 -5.537 -1.529 -2.711 239 1HE MET 27 1HE MET 27 -3.955 -2.769 -3.925 240 2HE MET 27 2HE MET 27 -3.633 -2.730 -5.658 241 3HE MET 27 3HE MET 27 -3.216 -1.343 -4.651 242 H LYS 28 H LYS 28 -8.672 1.603 -3.622 243 HA LYS 28 HA LYS 28 -10.637 2.604 -4.166 244 1HB LYS 28 2HB LYS 28 -11.741 0.505 -2.318 245 2HB LYS 28 1HB LYS 28 -12.775 1.770 -2.968 246 1HG LYS 28 2HG LYS 28 -13.085 0.020 -4.450 247 2HG LYS 28 1HG LYS 28 -11.881 1.019 -5.267 248 1HD LYS 28 2HD LYS 28 -10.253 -0.541 -5.061 249 2HD LYS 28 1HD LYS 28 -10.812 -1.064 -3.470 250 1HE LYS 28 2HE LYS 28 -11.762 -2.841 -4.402 251 2HE LYS 28 1HE LYS 28 -12.800 -1.781 -5.356 252 1HZ LYS 28 1HZ LYS 28 -10.137 -2.855 -6.113 253 2HZ LYS 28 2HZ LYS 28 -10.938 -1.639 -6.984 254 3HZ LYS 28 3HZ LYS 28 -11.632 -3.177 -6.849 255 H LYS 29 H LYS 29 -9.616 2.331 -0.897 256 HA LYS 29 HA LYS 29 -10.540 5.059 -0.439 257 1HB LYS 29 2HB LYS 29 -11.505 4.602 1.548 258 2HB LYS 29 1HB LYS 29 -11.580 2.948 0.967 259 1HG LYS 29 2HG LYS 29 -9.035 3.568 2.215 260 2HG LYS 29 1HG LYS 29 -10.404 3.814 3.300 261 1HD LYS 29 2HD LYS 29 -10.348 1.325 1.677 262 2HD LYS 29 1HD LYS 29 -9.236 1.448 3.042 263 1HE LYS 29 2HE LYS 29 -10.923 1.477 4.588 264 2HE LYS 29 1HE LYS 29 -12.080 2.194 3.468 265 1HZ LYS 29 1HZ LYS 29 -12.062 -0.388 4.188 266 2HZ LYS 29 2HZ LYS 29 -11.192 -0.456 2.735 267 3HZ LYS 29 3HZ LYS 29 -12.756 0.200 2.753 268 H CYS 30 H CYS 30 -8.133 2.899 -0.872 269 HA CYS 30 HA CYS 30 -6.045 3.625 0.812 270 1HB CYS 30 2HB CYS 30 -5.709 1.730 -0.549 271 2HB CYS 30 1HB CYS 30 -6.254 2.559 -1.998 272 H GLY 31 H GLY 31 -5.874 5.628 1.215 273 1HA GLY 31 1HA GLY 31 -6.570 7.889 0.497 274 2HA GLY 31 2HA GLY 31 -4.842 7.790 0.776 275 H TRP 32 H TRP 32 -7.367 7.997 -1.588 276 HA TRP 32 HA TRP 32 -5.441 8.430 -3.752 277 1HB TRP 32 2HB TRP 32 -8.387 7.890 -3.627 278 2HB TRP 32 1HB TRP 32 -7.729 8.710 -5.038 279 HD1 TRP 32 HD TRP 32 -8.548 5.367 -3.916 280 HE1 TRP 32 1HE TRP 32 -7.302 3.573 -5.278 281 HE3 TRP 32 3HE TRP 32 -5.032 8.338 -6.152 282 HZ2 TRP 32 2HZ TRP 32 -5.130 3.437 -7.067 283 HZ3 TRP 32 3HZ TRP 32 -3.408 7.292 -7.678 284 HH2 TRP 32 HH TRP 32 -3.455 4.891 -8.119 285 H PHE 33 H PHE 33 -8.561 9.980 -3.341 286 HA PHE 33 HA PHE 33 -7.295 12.596 -3.642 287 1HB PHE 33 2HB PHE 33 -9.977 13.110 -3.572 288 2HB PHE 33 1HB PHE 33 -9.064 12.794 -5.045 289 HD1 PHE 33 1HD PHE 33 -9.643 11.028 -6.428 290 HD2 PHE 33 2HD PHE 33 -11.089 11.095 -2.424 291 HE1 PHE 33 1HE PHE 33 -11.085 9.097 -6.919 292 HE2 PHE 33 2HE PHE 33 -12.536 9.166 -2.912 293 HZ PHE 33 HZ PHE 33 -12.535 8.162 -5.160 Start of MODEL 15 1 1H GLY 1 1H GLY 1 7.880 -7.034 -6.844 2 2H GLY 1 2H GLY 1 7.943 -6.938 -5.150 3 3H GLY 1 3H GLY 1 6.841 -7.985 -5.901 4 1HA GLY 1 2HA GLY 1 9.735 -8.278 -5.544 5 2HA GLY 1 1HA GLY 1 8.457 -9.463 -5.305 6 H SER 2 H SER 2 11.039 -9.139 -7.042 7 HA SER 2 HA SER 2 10.208 -9.276 -9.732 8 1HB SER 2 2HB SER 2 12.671 -10.721 -9.164 9 2HB SER 2 1HB SER 2 12.426 -9.252 -10.113 10 HG SER 2 HG SER 2 13.004 -8.085 -8.452 11 H ARG 3 H ARG 3 10.778 -11.744 -7.271 12 HA ARG 3 HA ARG 3 9.445 -13.661 -9.060 13 1HB ARG 3 2HB ARG 3 10.717 -15.486 -7.932 14 2HB ARG 3 1HB ARG 3 11.725 -14.408 -8.887 15 1HG ARG 3 2HG ARG 3 12.986 -13.945 -7.130 16 2HG ARG 3 1HG ARG 3 11.576 -13.467 -6.183 17 1HD ARG 3 2HD ARG 3 11.342 -16.181 -6.190 18 2HD ARG 3 1HD ARG 3 13.094 -15.975 -6.177 19 HE ARG 3 HE ARG 3 12.394 -14.305 -4.237 20 1HH1 ARG 3 2HH1 ARG 3 11.347 -17.584 -4.883 21 2HH1 ARG 3 1HH1 ARG 3 10.976 -17.933 -3.219 22 1HH2 ARG 3 2HH2 ARG 3 11.905 -14.751 -2.049 23 2HH2 ARG 3 1HH2 ARG 3 11.300 -16.320 -1.600 24 H LEU 4 H LEU 4 7.783 -14.782 -8.214 25 HA LEU 4 HA LEU 4 6.098 -15.378 -6.817 26 1HB LEU 4 2HB LEU 4 8.347 -15.141 -5.017 27 2HB LEU 4 1HB LEU 4 6.871 -14.617 -4.230 28 HG LEU 4 HG LEU 4 6.065 -16.953 -5.396 29 1HD1 LEU 4 1HD1 LEU 4 8.155 -18.354 -4.325 30 2HD1 LEU 4 2HD1 LEU 4 7.887 -18.071 -6.046 31 3HD1 LEU 4 3HD1 LEU 4 8.970 -17.018 -5.139 32 1HD2 LEU 4 1HD2 LEU 4 5.806 -17.717 -3.240 33 2HD2 LEU 4 2HD2 LEU 4 7.330 -17.014 -2.695 34 3HD2 LEU 4 3HD2 LEU 4 5.934 -15.976 -2.986 35 HA PRO 5 HA PRO 5 3.768 -11.687 -6.408 36 1HB PRO 5 2HB PRO 5 2.055 -12.298 -4.337 37 2HB PRO 5 1HB PRO 5 1.838 -12.838 -6.004 38 1HG PRO 5 2HG PRO 5 2.989 -14.310 -3.670 39 2HG PRO 5 1HG PRO 5 1.912 -14.899 -4.951 40 1HD PRO 5 2HD PRO 5 4.548 -15.426 -4.971 41 2HD PRO 5 1HD PRO 5 3.644 -15.135 -6.473 42 H LYS 6 H LYS 6 5.003 -13.046 -3.402 43 HA LYS 6 HA LYS 6 5.850 -12.140 -1.509 44 1HB LYS 6 2HB LYS 6 6.959 -10.715 -3.631 45 2HB LYS 6 1HB LYS 6 6.414 -9.468 -2.521 46 1HG LYS 6 2HG LYS 6 7.754 -10.338 -0.760 47 2HG LYS 6 1HG LYS 6 8.146 -11.780 -1.700 48 1HD LYS 6 2HD LYS 6 9.416 -10.486 -3.269 49 2HD LYS 6 1HD LYS 6 8.891 -8.976 -2.520 50 1HE LYS 6 2HE LYS 6 10.017 -9.766 -0.412 51 2HE LYS 6 1HE LYS 6 10.708 -11.081 -1.362 52 1HZ LYS 6 1HZ LYS 6 11.767 -8.583 -1.046 53 2HZ LYS 6 2HZ LYS 6 11.092 -8.534 -2.599 54 3HZ LYS 6 3HZ LYS 6 12.230 -9.731 -2.207 55 H LEU 7 H LEU 7 3.353 -12.213 -1.329 56 HA LEU 7 HA LEU 7 1.489 -11.423 -0.323 57 1HB LEU 7 2HB LEU 7 3.380 -9.250 0.536 58 2HB LEU 7 1HB LEU 7 1.678 -9.170 0.902 59 HG LEU 7 HG LEU 7 2.508 -10.077 2.841 60 1HD1 LEU 7 1HD1 LEU 7 2.013 -12.508 2.840 61 2HD1 LEU 7 2HD1 LEU 7 0.761 -11.535 2.066 62 3HD1 LEU 7 3HD1 LEU 7 1.904 -12.449 1.080 63 1HD2 LEU 7 1HD2 LEU 7 4.433 -11.708 1.182 64 2HD2 LEU 7 2HD2 LEU 7 4.819 -10.285 2.150 65 3HD2 LEU 7 3HD2 LEU 7 4.294 -11.771 2.938 66 H TYR 8 H TYR 8 0.426 -8.876 -0.129 67 HA TYR 8 HA TYR 8 0.142 -8.162 -2.968 68 1HB TYR 8 2HB TYR 8 -2.032 -8.050 -0.867 69 2HB TYR 8 1HB TYR 8 -2.216 -7.899 -2.619 70 HD1 TYR 8 1HD TYR 8 -2.275 -9.842 -4.028 71 HD2 TYR 8 2HD TYR 8 -1.530 -10.252 0.140 72 HE1 TYR 8 1HE TYR 8 -2.574 -12.274 -4.213 73 HE2 TYR 8 2HE TYR 8 -1.818 -12.679 -0.039 74 HH TYR 8 HH TYR 8 -1.768 -14.330 -2.914 75 H LEU 9 H LEU 9 1.395 -6.416 -3.050 76 HA LEU 9 HA LEU 9 1.513 -4.510 -0.932 77 1HB LEU 9 2HB LEU 9 3.470 -5.071 -2.239 78 2HB LEU 9 1HB LEU 9 2.684 -4.529 -3.708 79 HG LEU 9 HG LEU 9 2.597 -2.215 -2.580 80 1HD1 LEU 9 1HD1 LEU 9 4.494 -1.879 -0.984 81 2HD1 LEU 9 2HD1 LEU 9 3.136 -2.796 -0.335 82 3HD1 LEU 9 3HD1 LEU 9 4.604 -3.634 -0.842 83 1HD2 LEU 9 1HD2 LEU 9 5.049 -1.850 -3.191 84 2HD2 LEU 9 2HD2 LEU 9 5.081 -3.570 -3.585 85 3HD2 LEU 9 3HD2 LEU 9 3.988 -2.485 -4.447 86 H CYS 10 H CYS 10 0.639 -2.549 -0.762 87 HA CYS 10 HA CYS 10 -1.291 -1.626 -2.719 88 1HB CYS 10 2HB CYS 10 -2.074 -1.281 -0.504 89 2HB CYS 10 1HB CYS 10 -0.502 -0.712 0.048 90 H GLU 11 H GLU 11 -0.796 -0.117 -4.117 91 HA GLU 11 HA GLU 11 1.949 0.839 -4.174 92 1HB GLU 11 2HB GLU 11 -0.188 0.966 -6.311 93 2HB GLU 11 1HB GLU 11 1.509 1.391 -6.522 94 1HG GLU 11 2HG GLU 11 1.918 -1.036 -5.670 95 2HG GLU 11 1HG GLU 11 0.250 -1.287 -6.183 96 H PHE 12 H PHE 12 -0.419 1.911 -2.543 97 HA PHE 12 HA PHE 12 -0.195 4.713 -3.419 98 1HB PHE 12 2HB PHE 12 -2.352 3.503 -1.676 99 2HB PHE 12 1HB PHE 12 -2.320 5.136 -2.337 100 HD1 PHE 12 1HD PHE 12 -3.585 1.896 -2.780 101 HD2 PHE 12 2HD PHE 12 -2.120 5.249 -4.962 102 HE1 PHE 12 1HE PHE 12 -4.755 1.101 -4.787 103 HE2 PHE 12 2HE PHE 12 -3.301 4.461 -6.969 104 HZ PHE 12 HZ PHE 12 -4.620 2.385 -6.883 105 H CYS 13 H CYS 13 -0.278 2.629 -0.516 106 HA CYS 13 HA CYS 13 1.316 4.713 0.832 107 1HB CYS 13 2HB CYS 13 0.560 3.878 2.990 108 2HB CYS 13 1HB CYS 13 -0.822 4.323 1.999 109 H LEU 14 H LEU 14 1.472 1.872 -0.715 110 HA LEU 14 HA LEU 14 2.967 0.207 -0.931 111 1HB LEU 14 2HB LEU 14 4.666 2.377 0.258 112 2HB LEU 14 1HB LEU 14 5.344 0.835 -0.240 113 HG LEU 14 HG LEU 14 3.678 2.302 -2.218 114 1HD1 LEU 14 1HD1 LEU 14 4.885 4.172 -1.754 115 2HD1 LEU 14 2HD1 LEU 14 6.269 3.266 -1.143 116 3HD1 LEU 14 3HD1 LEU 14 5.985 3.377 -2.880 117 1HD2 LEU 14 1HD2 LEU 14 5.693 1.438 -3.624 118 2HD2 LEU 14 2HD2 LEU 14 5.989 0.415 -2.217 119 3HD2 LEU 14 3HD2 LEU 14 4.451 0.312 -3.076 120 H LYS 15 H LYS 15 1.507 -0.764 0.753 121 HA LYS 15 HA LYS 15 3.211 -1.818 2.902 122 1HB LYS 15 2HB LYS 15 1.546 -0.281 3.892 123 2HB LYS 15 1HB LYS 15 0.255 -1.195 3.125 124 1HG LYS 15 2HG LYS 15 0.134 -2.276 5.069 125 2HG LYS 15 1HG LYS 15 1.564 -3.143 4.505 126 1HD LYS 15 2HD LYS 15 2.890 -1.206 5.564 127 2HD LYS 15 1HD LYS 15 1.387 -0.837 6.414 128 1HE LYS 15 2HE LYS 15 1.805 -3.616 6.652 129 2HE LYS 15 1HE LYS 15 3.349 -2.836 6.997 130 1HZ LYS 15 1HZ LYS 15 2.563 -1.895 8.866 131 2HZ LYS 15 2HZ LYS 15 1.464 -3.185 8.818 132 3HZ LYS 15 3HZ LYS 15 0.999 -1.653 8.246 133 H TYR 16 H TYR 16 2.977 -4.056 3.259 134 HA TYR 16 HA TYR 16 1.788 -5.465 1.006 135 1HB TYR 16 2HB TYR 16 3.660 -6.289 3.220 136 2HB TYR 16 1HB TYR 16 2.952 -7.457 2.109 137 HD1 TYR 16 1HD TYR 16 5.694 -5.332 2.693 138 HD2 TYR 16 2HD TYR 16 3.291 -6.914 -0.439 139 HE1 TYR 16 1HE TYR 16 7.504 -4.891 1.091 140 HE2 TYR 16 2HE TYR 16 5.094 -6.469 -2.053 141 HH TYR 16 HH TYR 16 7.232 -5.876 -2.306 142 H MET 17 H MET 17 -0.014 -6.626 1.085 143 HA MET 17 HA MET 17 -1.324 -6.976 3.686 144 1HB MET 17 2HB MET 17 -2.518 -7.309 0.930 145 2HB MET 17 1HB MET 17 -3.392 -7.302 2.450 146 1HG MET 17 2HG MET 17 -1.860 -4.963 1.350 147 2HG MET 17 1HG MET 17 -3.593 -5.206 1.166 148 1HE MET 17 1HE MET 17 -2.781 -2.266 2.905 149 2HE MET 17 2HE MET 17 -1.571 -2.817 4.064 150 3HE MET 17 3HE MET 17 -1.388 -3.195 2.351 151 H LYS 18 H LYS 18 -2.147 -8.979 4.319 152 HA LYS 18 HA LYS 18 -0.469 -11.159 3.523 153 1HB LYS 18 2HB LYS 18 -2.784 -11.055 5.468 154 2HB LYS 18 1HB LYS 18 -1.698 -12.424 5.274 155 1HG LYS 18 2HG LYS 18 -0.830 -9.667 6.107 156 2HG LYS 18 1HG LYS 18 -1.167 -10.997 7.217 157 1HD LYS 18 2HD LYS 18 0.822 -11.944 6.836 158 2HD LYS 18 1HD LYS 18 0.658 -11.762 5.088 159 1HE LYS 18 2HE LYS 18 1.600 -9.634 5.097 160 2HE LYS 18 1HE LYS 18 1.306 -9.408 6.820 161 1HZ LYS 18 1HZ LYS 18 3.229 -10.376 7.343 162 2HZ LYS 18 2HZ LYS 18 3.660 -10.131 5.726 163 3HZ LYS 18 3HZ LYS 18 3.037 -11.634 6.218 164 H SER 19 H SER 19 -3.752 -10.221 2.852 165 HA SER 19 HA SER 19 -3.986 -12.543 1.076 166 1HB SER 19 2HB SER 19 -6.424 -11.581 2.521 167 2HB SER 19 1HB SER 19 -6.062 -13.182 1.878 168 HG SER 19 HG SER 19 -5.986 -13.049 4.199 169 H ARG 20 H ARG 20 -5.315 -12.204 -0.777 170 HA ARG 20 HA ARG 20 -5.119 -9.583 -1.813 171 1HB ARG 20 2HB ARG 20 -5.378 -11.995 -2.971 172 2HB ARG 20 1HB ARG 20 -7.044 -11.436 -3.095 173 1HG ARG 20 2HG ARG 20 -6.345 -9.467 -4.294 174 2HG ARG 20 1HG ARG 20 -4.647 -9.896 -4.070 175 1HD ARG 20 2HD ARG 20 -5.323 -10.493 -6.299 176 2HD ARG 20 1HD ARG 20 -5.041 -11.964 -5.368 177 HE ARG 20 HE ARG 20 -7.224 -12.526 -5.669 178 1HH1 ARG 20 2HH1 ARG 20 -6.890 -9.092 -6.319 179 2HH1 ARG 20 1HH1 ARG 20 -8.543 -8.904 -6.835 180 1HH2 ARG 20 2HH2 ARG 20 -9.377 -12.284 -6.337 181 2HH2 ARG 20 1HH2 ARG 20 -9.966 -10.716 -6.832 182 H THR 21 H THR 21 -7.771 -11.366 -0.344 183 HA THR 21 HA THR 21 -9.818 -9.527 -0.984 184 HB THR 21 HB THR 21 -9.836 -11.972 0.133 185 HG1 THR 21 1HG THR 21 -12.042 -10.508 0.923 186 1HG2 THR 21 1HG2 THR 21 -9.177 -10.484 2.342 187 2HG2 THR 21 2HG2 THR 21 -9.944 -12.071 2.375 188 3HG2 THR 21 3HG2 THR 21 -10.931 -10.613 2.481 189 H ILE 22 H ILE 22 -7.273 -9.456 1.360 190 HA ILE 22 HA ILE 22 -8.415 -7.426 3.039 191 HB ILE 22 HB ILE 22 -5.601 -8.481 2.732 192 1HG1 ILE 22 2HG1 ILE 22 -7.556 -8.707 5.031 193 1HG2 ILE 22 1HG2 ILE 22 -6.089 -6.943 5.134 194 2HG2 ILE 22 2HG2 ILE 22 -4.765 -6.837 3.973 195 3HG2 ILE 22 3HG2 ILE 22 -6.269 -5.967 3.676 196 1HD1 ILE 22 1HD1 ILE 22 -4.922 -10.030 4.482 197 2HD1 ILE 22 2HD1 ILE 22 -5.375 -9.040 5.870 198 3HD1 ILE 22 3HD1 ILE 22 -6.090 -10.638 5.654 199 H LEU 23 H LEU 23 -6.074 -7.565 0.384 200 HA LEU 23 HA LEU 23 -5.527 -4.789 0.299 201 1HB LEU 23 2HB LEU 23 -4.087 -6.525 -0.723 202 2HB LEU 23 1HB LEU 23 -5.326 -6.817 -1.928 203 HG LEU 23 HG LEU 23 -5.065 -4.427 -2.657 204 1HD1 LEU 23 1HD1 LEU 23 -3.211 -3.141 -1.967 205 2HD1 LEU 23 2HD1 LEU 23 -3.983 -3.719 -0.491 206 3HD1 LEU 23 3HD1 LEU 23 -2.509 -4.491 -1.078 207 1HD2 LEU 23 1HD2 LEU 23 -4.007 -5.648 -4.205 208 2HD2 LEU 23 2HD2 LEU 23 -2.536 -5.045 -3.441 209 3HD2 LEU 23 3HD2 LEU 23 -3.171 -6.631 -3.002 210 H GLN 24 H GLN 24 -8.001 -6.809 -1.124 211 HA GLN 24 HA GLN 24 -9.034 -4.916 -2.952 212 1HB GLN 24 2HB GLN 24 -10.141 -7.371 -1.634 213 2HB GLN 24 1HB GLN 24 -11.182 -6.341 -2.609 214 1HG GLN 24 2HG GLN 24 -9.828 -6.694 -4.545 215 2HG GLN 24 1HG GLN 24 -8.614 -7.553 -3.597 216 1HE2 GLN 24 1HE2 GLN 24 -11.980 -7.664 -4.633 217 2HE2 GLN 24 2HE2 GLN 24 -12.103 -9.395 -4.650 218 H GLN 25 H GLN 25 -9.620 -5.545 0.455 219 HA GLN 25 HA GLN 25 -11.768 -3.661 0.727 220 1HB GLN 25 2HB GLN 25 -9.998 -5.126 2.674 221 2HB GLN 25 1HB GLN 25 -11.108 -3.877 3.218 222 1HG GLN 25 2HG GLN 25 -12.982 -5.118 2.626 223 2HG GLN 25 1HG GLN 25 -12.060 -6.185 1.570 224 1HE2 GLN 25 1HE2 GLN 25 -10.589 -7.680 2.572 225 2HE2 GLN 25 2HE2 GLN 25 -10.916 -8.281 4.165 226 H HIS 26 H HIS 26 -8.370 -3.510 0.523 227 HA HIS 26 HA HIS 26 -8.125 -1.008 1.959 228 1HB HIS 26 2HB HIS 26 -6.412 -2.799 2.156 229 2HB HIS 26 1HB HIS 26 -6.031 -2.590 0.451 230 HD1 HIS 26 1HD HIS 26 -5.605 -0.900 3.805 231 HD2 HIS 26 2HD HIS 26 -4.491 -0.392 -0.183 232 HE1 HIS 26 1HE HIS 26 -3.825 0.918 3.770 233 H MET 27 H MET 27 -7.590 -2.164 -1.380 234 HA MET 27 HA MET 27 -7.107 0.521 -2.308 235 1HB MET 27 2HB MET 27 -7.710 -1.817 -4.062 236 2HB MET 27 1HB MET 27 -6.878 -0.335 -4.476 237 1HG MET 27 2HG MET 27 -5.087 -1.041 -2.835 238 2HG MET 27 1HG MET 27 -5.869 -2.621 -2.821 239 1HE MET 27 1HE MET 27 -2.922 -1.951 -3.458 240 2HE MET 27 2HE MET 27 -2.431 -2.148 -5.140 241 3HE MET 27 3HE MET 27 -3.059 -0.598 -4.582 242 H LYS 28 H LYS 28 -8.633 1.752 -2.134 243 HA LYS 28 HA LYS 28 -10.688 2.141 -3.805 244 1HB LYS 28 2HB LYS 28 -12.699 1.711 -2.184 245 2HB LYS 28 1HB LYS 28 -12.124 0.432 -3.235 246 1HG LYS 28 2HG LYS 28 -12.649 -0.344 -0.965 247 2HG LYS 28 1HG LYS 28 -10.960 -0.615 -1.396 248 1HD LYS 28 2HD LYS 28 -10.482 0.364 0.558 249 2HD LYS 28 1HD LYS 28 -10.894 1.871 -0.276 250 1HE LYS 28 2HE LYS 28 -12.121 1.872 1.756 251 2HE LYS 28 1HE LYS 28 -13.274 1.501 0.476 252 1HZ LYS 28 1HZ LYS 28 -11.982 -0.750 1.827 253 2HZ LYS 28 2HZ LYS 28 -13.558 -0.614 1.215 254 3HZ LYS 28 3HZ LYS 28 -13.158 0.108 2.699 255 H LYS 29 H LYS 29 -9.047 2.663 -0.970 256 HA LYS 29 HA LYS 29 -10.369 5.255 -0.560 257 1HB LYS 29 2HB LYS 29 -10.863 3.740 1.292 258 2HB LYS 29 1HB LYS 29 -9.148 3.415 1.506 259 1HG LYS 29 2HG LYS 29 -9.680 6.243 1.637 260 2HG LYS 29 1HG LYS 29 -10.675 5.351 2.790 261 1HD LYS 29 2HD LYS 29 -8.779 4.409 3.841 262 2HD LYS 29 1HD LYS 29 -7.712 4.901 2.524 263 1HE LYS 29 2HE LYS 29 -9.192 7.044 3.929 264 2HE LYS 29 1HE LYS 29 -7.897 6.250 4.826 265 1HZ LYS 29 1HZ LYS 29 -7.731 7.835 2.340 266 2HZ LYS 29 2HZ LYS 29 -6.522 6.699 2.719 267 3HZ LYS 29 3HZ LYS 29 -6.834 7.987 3.774 268 H CYS 30 H CYS 30 -7.377 3.436 -0.285 269 HA CYS 30 HA CYS 30 -5.662 5.470 0.460 270 1HB CYS 30 2HB CYS 30 -5.448 2.798 -0.024 271 2HB CYS 30 1HB CYS 30 -4.527 3.460 -1.365 272 H GLY 31 H GLY 31 -6.499 4.370 -2.810 273 1HA GLY 31 1HA GLY 31 -4.776 6.315 -4.047 274 2HA GLY 31 2HA GLY 31 -5.884 5.228 -4.869 275 H TRP 32 H TRP 32 -7.438 6.920 -2.413 276 HA TRP 32 HA TRP 32 -8.385 8.931 -4.338 277 1HB TRP 32 2HB TRP 32 -9.926 7.309 -2.316 278 2HB TRP 32 1HB TRP 32 -10.571 8.799 -3.005 279 HD1 TRP 32 HD TRP 32 -10.406 5.167 -3.653 280 HE1 TRP 32 1HE TRP 32 -11.221 4.632 -6.033 281 HE3 TRP 32 3HE TRP 32 -10.413 9.895 -5.577 282 HZ2 TRP 32 2HZ TRP 32 -11.778 6.033 -8.410 283 HZ3 TRP 32 3HZ TRP 32 -11.093 10.215 -7.920 284 HH2 TRP 32 HH TRP 32 -11.764 8.320 -9.307 285 H PHE 33 H PHE 33 -9.622 8.939 -1.123 286 HA PHE 33 HA PHE 33 -7.951 11.289 -0.518 287 1HB PHE 33 2HB PHE 33 -10.515 10.939 0.924 288 2HB PHE 33 1HB PHE 33 -9.769 12.402 0.283 289 HD1 PHE 33 1HD PHE 33 -12.161 9.761 -0.292 290 HD2 PHE 33 2HD PHE 33 -10.003 12.935 -2.138 291 HE1 PHE 33 1HE PHE 33 -13.730 9.726 -2.184 292 HE2 PHE 33 2HE PHE 33 -11.570 12.900 -4.036 293 HZ PHE 33 HZ PHE 33 -13.437 11.297 -4.060 Start of MODEL 16 1 1H GLY 1 1H GLY 1 17.382 -18.616 3.969 2 2H GLY 1 2H GLY 1 15.819 -19.077 4.429 3 3H GLY 1 3H GLY 1 16.049 -17.677 3.501 4 1HA GLY 1 2HA GLY 1 17.221 -19.863 2.173 5 2HA GLY 1 1HA GLY 1 15.567 -20.266 2.608 6 H SER 2 H SER 2 14.686 -20.180 0.582 7 HA SER 2 HA SER 2 14.579 -17.498 -0.624 8 1HB SER 2 2HB SER 2 14.430 -19.863 -2.429 9 2HB SER 2 1HB SER 2 15.084 -18.254 -2.731 10 HG SER 2 HG SER 2 16.935 -18.795 -1.639 11 H ARG 3 H ARG 3 12.825 -19.372 1.111 12 HA ARG 3 HA ARG 3 10.449 -19.442 -0.613 13 1HB ARG 3 2HB ARG 3 11.218 -21.379 0.987 14 2HB ARG 3 1HB ARG 3 10.446 -20.400 2.226 15 1HG ARG 3 2HG ARG 3 8.723 -20.649 -0.058 16 2HG ARG 3 1HG ARG 3 9.238 -22.240 0.505 17 1HD ARG 3 2HD ARG 3 7.888 -22.120 2.266 18 2HD ARG 3 1HD ARG 3 8.566 -20.565 2.740 19 HE ARG 3 HE ARG 3 6.648 -20.439 0.578 20 1HH1 ARG 3 2HH1 ARG 3 7.150 -20.305 4.050 21 2HH1 ARG 3 1HH1 ARG 3 5.666 -19.450 4.357 22 1HH2 ARG 3 2HH2 ARG 3 4.674 -19.352 0.991 23 2HH2 ARG 3 1HH2 ARG 3 4.241 -18.947 2.629 24 H LEU 4 H LEU 4 10.891 -16.994 -0.432 25 HA LEU 4 HA LEU 4 9.753 -15.858 2.006 26 1HB LEU 4 2HB LEU 4 11.547 -14.910 -0.124 27 2HB LEU 4 1HB LEU 4 10.367 -13.727 0.413 28 HG LEU 4 HG LEU 4 11.182 -14.226 2.786 29 1HD1 LEU 4 1HD1 LEU 4 13.756 -15.081 1.609 30 2HD1 LEU 4 2HD1 LEU 4 13.038 -15.468 3.171 31 3HD1 LEU 4 3HD1 LEU 4 12.485 -16.296 1.716 32 1HD2 LEU 4 1HD2 LEU 4 13.318 -12.848 2.346 33 2HD2 LEU 4 2HD2 LEU 4 12.764 -12.819 0.673 34 3HD2 LEU 4 3HD2 LEU 4 11.755 -12.140 1.948 35 HA PRO 5 HA PRO 5 5.839 -15.784 -0.088 36 1HB PRO 5 2HB PRO 5 5.006 -14.147 2.223 37 2HB PRO 5 1HB PRO 5 4.377 -15.698 1.658 38 1HG PRO 5 2HG PRO 5 5.852 -15.523 3.886 39 2HG PRO 5 1HG PRO 5 5.988 -16.913 2.791 40 1HD PRO 5 2HD PRO 5 7.793 -14.536 3.070 41 2HD PRO 5 1HD PRO 5 8.213 -16.250 2.855 42 H LYS 6 H LYS 6 5.227 -14.470 -1.653 43 HA LYS 6 HA LYS 6 5.959 -11.644 -1.552 44 1HB LYS 6 2HB LYS 6 5.864 -13.538 -3.608 45 2HB LYS 6 1HB LYS 6 4.508 -12.463 -3.926 46 1HG LYS 6 2HG LYS 6 7.070 -11.165 -3.261 47 2HG LYS 6 1HG LYS 6 6.998 -12.014 -4.805 48 1HD LYS 6 2HD LYS 6 4.602 -10.547 -4.575 49 2HD LYS 6 1HD LYS 6 5.908 -9.466 -4.085 50 1HE LYS 6 2HE LYS 6 5.933 -9.101 -6.339 51 2HE LYS 6 1HE LYS 6 7.065 -10.449 -6.240 52 1HZ LYS 6 1HZ LYS 6 5.559 -11.904 -7.128 53 2HZ LYS 6 2HZ LYS 6 5.123 -10.491 -7.949 54 3HZ LYS 6 3HZ LYS 6 4.209 -11.014 -6.626 55 H LEU 7 H LEU 7 4.534 -10.576 -0.306 56 HA LEU 7 HA LEU 7 1.752 -11.240 -0.223 57 1HB LEU 7 2HB LEU 7 3.410 -9.051 0.972 58 2HB LEU 7 1HB LEU 7 1.668 -9.002 1.074 59 HG LEU 7 HG LEU 7 2.251 -9.925 3.104 60 1HD1 LEU 7 1HD1 LEU 7 1.550 -12.020 1.113 61 2HD1 LEU 7 2HD1 LEU 7 1.990 -12.529 2.743 62 3HD1 LEU 7 3HD1 LEU 7 0.637 -11.425 2.499 63 1HD2 LEU 7 1HD2 LEU 7 4.501 -10.282 3.152 64 2HD2 LEU 7 2HD2 LEU 7 3.951 -11.955 3.049 65 3HD2 LEU 7 3HD2 LEU 7 4.514 -11.120 1.600 66 H TYR 8 H TYR 8 0.476 -8.840 -0.123 67 HA TYR 8 HA TYR 8 0.461 -8.104 -2.959 68 1HB TYR 8 2HB TYR 8 -1.691 -7.703 -0.862 69 2HB TYR 8 1HB TYR 8 -1.852 -7.418 -2.596 70 HD1 TYR 8 1HD TYR 8 -0.936 -10.157 -0.227 71 HD2 TYR 8 2HD TYR 8 -2.801 -9.080 -3.890 72 HE1 TYR 8 1HE TYR 8 -1.618 -12.478 -0.543 73 HE2 TYR 8 2HE TYR 8 -3.506 -11.408 -4.221 74 HH TYR 8 HH TYR 8 -3.898 -13.416 -2.961 75 H LEU 9 H LEU 9 1.050 -6.143 -3.584 76 HA LEU 9 HA LEU 9 1.697 -4.197 -1.501 77 1HB LEU 9 2HB LEU 9 3.445 -4.897 -3.089 78 2HB LEU 9 1HB LEU 9 2.483 -4.272 -4.414 79 HG LEU 9 HG LEU 9 2.700 -1.998 -3.511 80 1HD1 LEU 9 1HD1 LEU 9 3.318 -3.272 -1.136 81 2HD1 LEU 9 2HD1 LEU 9 4.852 -2.574 -1.658 82 3HD1 LEU 9 3HD1 LEU 9 3.434 -1.543 -1.462 83 1HD2 LEU 9 1HD2 LEU 9 4.511 -3.344 -4.943 84 2HD2 LEU 9 2HD2 LEU 9 4.725 -1.659 -4.464 85 3HD2 LEU 9 3HD2 LEU 9 5.502 -2.943 -3.538 86 H CYS 10 H CYS 10 0.339 -2.620 -1.089 87 HA CYS 10 HA CYS 10 -1.868 -1.922 -2.656 88 1HB CYS 10 2HB CYS 10 -2.396 -0.926 -0.728 89 2HB CYS 10 1HB CYS 10 -0.833 -1.390 -0.101 90 H GLU 11 H GLU 11 1.401 -0.773 -2.509 91 HA GLU 11 HA GLU 11 2.692 0.408 -3.914 92 1HB GLU 11 2HB GLU 11 0.405 -0.308 -5.572 93 2HB GLU 11 1HB GLU 11 1.220 1.156 -6.111 94 1HG GLU 11 2HG GLU 11 3.285 0.023 -6.343 95 2HG GLU 11 1HG GLU 11 2.667 -1.407 -5.521 96 H PHE 12 H PHE 12 -0.186 1.751 -2.709 97 HA PHE 12 HA PHE 12 0.613 4.448 -3.548 98 1HB PHE 12 2HB PHE 12 -1.877 3.488 -2.124 99 2HB PHE 12 1HB PHE 12 -1.562 5.156 -2.591 100 HD1 PHE 12 1HD PHE 12 -3.313 2.329 -3.482 101 HD2 PHE 12 2HD PHE 12 -0.825 5.329 -5.196 102 HE1 PHE 12 1HE PHE 12 -4.306 1.892 -5.687 103 HE2 PHE 12 2HE PHE 12 -1.820 4.899 -7.399 104 HZ PHE 12 HZ PHE 12 -3.563 3.178 -7.648 105 H CYS 13 H CYS 13 -0.269 2.679 -0.603 106 HA CYS 13 HA CYS 13 1.318 4.541 1.022 107 1HB CYS 13 2HB CYS 13 0.042 2.081 2.157 108 2HB CYS 13 1HB CYS 13 0.323 3.638 2.918 109 H LEU 14 H LEU 14 1.362 1.672 -0.711 110 HA LEU 14 HA LEU 14 2.874 0.066 -1.136 111 1HB LEU 14 2HB LEU 14 4.688 2.052 0.209 112 2HB LEU 14 1HB LEU 14 5.277 0.520 -0.409 113 HG LEU 14 HG LEU 14 3.709 2.129 -2.318 114 1HD1 LEU 14 1HD1 LEU 14 5.821 3.342 -0.822 115 2HD1 LEU 14 2HD1 LEU 14 6.315 3.152 -2.505 116 3HD1 LEU 14 3HD1 LEU 14 4.831 4.022 -2.114 117 1HD2 LEU 14 1HD2 LEU 14 6.145 0.399 -2.335 118 2HD2 LEU 14 2HD2 LEU 14 4.635 0.220 -3.230 119 3HD2 LEU 14 3HD2 LEU 14 5.790 1.469 -3.692 120 H LYS 15 H LYS 15 1.202 -0.463 0.860 121 HA LYS 15 HA LYS 15 2.837 -1.671 2.985 122 1HB LYS 15 2HB LYS 15 -0.156 -1.248 2.875 123 2HB LYS 15 1HB LYS 15 0.738 -1.912 4.234 124 1HG LYS 15 2HG LYS 15 1.089 0.873 3.146 125 2HG LYS 15 1HG LYS 15 0.096 0.449 4.541 126 1HD LYS 15 2HD LYS 15 2.110 -0.470 5.646 127 2HD LYS 15 1HD LYS 15 3.077 0.068 4.270 128 1HE LYS 15 2HE LYS 15 1.362 2.127 5.483 129 2HE LYS 15 1HE LYS 15 2.653 1.524 6.521 130 1HZ LYS 15 1HZ LYS 15 3.756 1.963 4.006 131 2HZ LYS 15 2HZ LYS 15 4.049 2.821 5.431 132 3HZ LYS 15 3HZ LYS 15 2.827 3.334 4.373 133 H TYR 16 H TYR 16 2.661 -3.867 3.427 134 HA TYR 16 HA TYR 16 1.823 -5.463 1.153 135 1HB TYR 16 2HB TYR 16 3.638 -5.844 3.470 136 2HB TYR 16 1HB TYR 16 2.860 -7.286 2.823 137 HD1 TYR 16 1HD TYR 16 3.396 -4.701 0.409 138 HD2 TYR 16 2HD TYR 16 5.252 -7.996 2.346 139 HE1 TYR 16 1HE TYR 16 5.068 -4.811 -1.397 140 HE2 TYR 16 2HE TYR 16 6.928 -8.119 0.551 141 HH TYR 16 HH TYR 16 7.294 -5.639 -1.798 142 H MET 17 H MET 17 -0.022 -6.472 1.059 143 HA MET 17 HA MET 17 -1.592 -6.858 3.508 144 1HB MET 17 2HB MET 17 -2.705 -7.542 0.832 145 2HB MET 17 1HB MET 17 -3.501 -6.831 2.229 146 1HG MET 17 2HG MET 17 -1.460 -5.140 0.967 147 2HG MET 17 1HG MET 17 -2.874 -5.489 -0.027 148 1HE MET 17 1HE MET 17 -2.579 -2.023 2.361 149 2HE MET 17 2HE MET 17 -1.643 -3.289 3.157 150 3HE MET 17 3HE MET 17 -1.435 -2.989 1.433 151 H LYS 18 H LYS 18 -2.284 -8.869 4.167 152 HA LYS 18 HA LYS 18 -0.603 -11.040 3.368 153 1HB LYS 18 2HB LYS 18 -2.351 -10.404 5.578 154 2HB LYS 18 1HB LYS 18 -2.621 -12.054 5.029 155 1HG LYS 18 2HG LYS 18 -0.979 -12.210 6.691 156 2HG LYS 18 1HG LYS 18 -0.106 -12.357 5.165 157 1HD LYS 18 2HD LYS 18 0.156 -9.765 5.413 158 2HD LYS 18 1HD LYS 18 -0.157 -10.101 7.116 159 1HE LYS 18 2HE LYS 18 1.674 -11.869 6.921 160 2HE LYS 18 1HE LYS 18 2.097 -11.090 5.398 161 1HZ LYS 18 1HZ LYS 18 3.392 -10.285 7.324 162 2HZ LYS 18 2HZ LYS 18 1.959 -9.676 8.003 163 3HZ LYS 18 3HZ LYS 18 2.530 -9.055 6.534 164 H SER 19 H SER 19 -3.705 -9.964 2.385 165 HA SER 19 HA SER 19 -3.929 -12.269 0.644 166 1HB SER 19 2HB SER 19 -6.024 -13.014 1.360 167 2HB SER 19 1HB SER 19 -5.214 -12.646 2.880 168 HG SER 19 HG SER 19 -7.164 -11.684 3.046 169 H ARG 20 H ARG 20 -5.836 -11.956 -0.897 170 HA ARG 20 HA ARG 20 -5.701 -9.262 -1.926 171 1HB ARG 20 2HB ARG 20 -5.809 -11.613 -3.192 172 2HB ARG 20 1HB ARG 20 -7.534 -11.269 -3.124 173 1HG ARG 20 2HG ARG 20 -7.386 -9.515 -4.545 174 2HG ARG 20 1HG ARG 20 -5.755 -9.093 -4.026 175 1HD ARG 20 2HD ARG 20 -4.995 -11.211 -5.196 176 2HD ARG 20 1HD ARG 20 -6.602 -11.270 -5.917 177 HE ARG 20 HE ARG 20 -4.577 -9.180 -6.376 178 1HH1 ARG 20 2HH1 ARG 20 -7.517 -10.848 -7.303 179 2HH1 ARG 20 1HH1 ARG 20 -7.711 -9.950 -8.783 180 1HH2 ARG 20 2HH2 ARG 20 -4.823 -7.992 -8.313 181 2HH2 ARG 20 1HH2 ARG 20 -6.173 -8.329 -9.363 182 H THR 21 H THR 21 -7.718 -11.046 0.160 183 HA THR 21 HA THR 21 -10.127 -9.557 -0.329 184 HB THR 21 HB THR 21 -9.516 -11.867 1.101 185 HG1 THR 21 1HG THR 21 -11.850 -10.237 0.959 186 1HG2 THR 21 1HG2 THR 21 -9.948 -11.580 3.356 187 2HG2 THR 21 2HG2 THR 21 -10.688 -9.995 3.121 188 3HG2 THR 21 3HG2 THR 21 -8.937 -10.182 2.984 189 H ILE 22 H ILE 22 -7.250 -9.256 1.631 190 HA ILE 22 HA ILE 22 -8.201 -6.967 3.101 191 HB ILE 22 HB ILE 22 -5.463 -8.212 2.823 192 1HG1 ILE 22 2HG1 ILE 22 -7.024 -8.028 5.370 193 1HG2 ILE 22 1HG2 ILE 22 -4.510 -6.580 4.057 194 2HG2 ILE 22 2HG2 ILE 22 -5.788 -5.613 3.321 195 3HG2 ILE 22 3HG2 ILE 22 -5.989 -6.241 4.956 196 1HD1 ILE 22 1HD1 ILE 22 -5.292 -10.234 4.288 197 2HD1 ILE 22 2HD1 ILE 22 -4.721 -8.947 5.349 198 3HD1 ILE 22 3HD1 ILE 22 -5.941 -10.083 5.921 199 H LEU 23 H LEU 23 -6.095 -7.642 0.352 200 HA LEU 23 HA LEU 23 -5.170 -5.054 -0.174 201 1HB LEU 23 2HB LEU 23 -4.653 -7.452 -1.186 202 2HB LEU 23 1HB LEU 23 -5.808 -6.942 -2.394 203 HG LEU 23 HG LEU 23 -3.020 -6.336 -2.187 204 1HD1 LEU 23 1HD1 LEU 23 -4.063 -5.040 -4.398 205 2HD1 LEU 23 2HD1 LEU 23 -3.423 -6.680 -4.333 206 3HD1 LEU 23 3HD1 LEU 23 -5.151 -6.398 -4.127 207 1HD2 LEU 23 1HD2 LEU 23 -3.504 -4.314 -1.036 208 2HD2 LEU 23 2HD2 LEU 23 -3.183 -3.897 -2.719 209 3HD2 LEU 23 3HD2 LEU 23 -4.843 -3.943 -2.123 210 H GLN 24 H GLN 24 -8.078 -6.758 -1.235 211 HA GLN 24 HA GLN 24 -9.003 -4.714 -2.966 212 1HB GLN 24 2HB GLN 24 -10.048 -7.243 -1.874 213 2HB GLN 24 1HB GLN 24 -11.273 -6.051 -2.280 214 1HG GLN 24 2HG GLN 24 -9.130 -6.685 -4.251 215 2HG GLN 24 1HG GLN 24 -10.487 -7.793 -4.043 216 1HE2 GLN 24 1HE2 GLN 24 -9.541 -5.802 -6.177 217 2HE2 GLN 24 2HE2 GLN 24 -10.995 -4.958 -6.590 218 H GLN 25 H GLN 25 -9.576 -5.458 0.424 219 HA GLN 25 HA GLN 25 -11.601 -3.475 0.768 220 1HB GLN 25 2HB GLN 25 -10.020 -5.248 2.579 221 2HB GLN 25 1HB GLN 25 -10.875 -3.877 3.273 222 1HG GLN 25 2HG GLN 25 -12.974 -4.700 2.435 223 2HG GLN 25 1HG GLN 25 -12.159 -6.008 1.583 224 1HE2 GLN 25 1HE2 GLN 25 -11.367 -7.753 2.733 225 2HE2 GLN 25 2HE2 GLN 25 -11.839 -8.085 4.369 226 H HIS 26 H HIS 26 -8.118 -3.562 1.129 227 HA HIS 26 HA HIS 26 -7.886 -1.083 2.497 228 1HB HIS 26 2HB HIS 26 -6.046 -2.637 2.615 229 2HB HIS 26 1HB HIS 26 -5.886 -2.660 0.861 230 HD1 HIS 26 1HD HIS 26 -5.117 -0.510 3.867 231 HD2 HIS 26 2HD HIS 26 -4.499 -0.527 -0.255 232 HE1 HIS 26 1HE HIS 26 -3.551 1.425 3.357 233 H MET 27 H MET 27 -7.487 -2.001 -0.924 234 HA MET 27 HA MET 27 -6.925 0.640 -1.791 235 1HB MET 27 2HB MET 27 -7.676 -1.899 -3.197 236 2HB MET 27 1HB MET 27 -7.614 -0.387 -4.084 237 1HG MET 27 2HG MET 27 -5.292 -0.101 -3.551 238 2HG MET 27 1HG MET 27 -5.328 -1.503 -2.483 239 1HE MET 27 1HE MET 27 -3.880 -0.526 -5.807 240 2HE MET 27 2HE MET 27 -4.876 -1.375 -6.990 241 3HE MET 27 3HE MET 27 -5.585 -0.113 -5.983 242 H LYS 28 H LYS 28 -8.365 1.457 -3.723 243 HA LYS 28 HA LYS 28 -10.295 2.472 -4.413 244 1HB LYS 28 2HB LYS 28 -11.551 0.564 -2.455 245 2HB LYS 28 1HB LYS 28 -12.487 1.863 -3.181 246 1HG LYS 28 2HG LYS 28 -12.943 0.162 -4.629 247 2HG LYS 28 1HG LYS 28 -11.535 0.877 -5.418 248 1HD LYS 28 2HD LYS 28 -10.115 -0.831 -4.705 249 2HD LYS 28 1HD LYS 28 -11.219 -1.344 -3.427 250 1HE LYS 28 2HE LYS 28 -12.170 -1.509 -6.235 251 2HE LYS 28 1HE LYS 28 -10.967 -2.683 -5.708 252 1HZ LYS 28 1HZ LYS 28 -12.703 -3.825 -4.945 253 2HZ LYS 28 2HZ LYS 28 -13.757 -2.501 -5.052 254 3HZ LYS 28 3HZ LYS 28 -12.773 -2.693 -3.686 255 H LYS 29 H LYS 29 -10.217 1.982 -0.904 256 HA LYS 29 HA LYS 29 -10.927 4.731 -0.343 257 1HB LYS 29 2HB LYS 29 -11.583 2.902 1.186 258 2HB LYS 29 1HB LYS 29 -9.885 2.557 1.481 259 1HG LYS 29 2HG LYS 29 -9.967 5.176 2.127 260 2HG LYS 29 1HG LYS 29 -11.603 4.677 2.566 261 1HD LYS 29 2HD LYS 29 -10.890 3.428 4.295 262 2HD LYS 29 1HD LYS 29 -9.488 2.828 3.406 263 1HE LYS 29 2HE LYS 29 -8.345 4.113 4.861 264 2HE LYS 29 1HE LYS 29 -8.774 5.404 3.741 265 1HZ LYS 29 1HZ LYS 29 -10.748 5.839 5.133 266 2HZ LYS 29 2HZ LYS 29 -9.287 6.093 5.954 267 3HZ LYS 29 3HZ LYS 29 -10.196 4.690 6.253 268 H CYS 30 H CYS 30 -8.111 2.693 -0.477 269 HA CYS 30 HA CYS 30 -6.147 4.389 0.540 270 1HB CYS 30 2HB CYS 30 -5.620 2.102 0.161 271 2HB CYS 30 1HB CYS 30 -6.116 2.187 -1.524 272 H GLY 31 H GLY 31 -6.809 3.741 -2.904 273 1HA GLY 31 1HA GLY 31 -5.472 6.192 -3.677 274 2HA GLY 31 2HA GLY 31 -6.183 4.996 -4.757 275 H TRP 32 H TRP 32 -7.316 7.209 -2.210 276 HA TRP 32 HA TRP 32 -9.791 7.674 -3.639 277 1HB TRP 32 2HB TRP 32 -9.083 7.709 -0.976 278 2HB TRP 32 1HB TRP 32 -9.259 9.422 -1.364 279 HD1 TRP 32 HD TRP 32 -11.280 6.140 -1.693 280 HE1 TRP 32 1HE TRP 32 -13.785 6.723 -1.570 281 HE3 TRP 32 3HE TRP 32 -10.905 11.233 -1.424 282 HZ2 TRP 32 2HZ TRP 32 -15.367 9.032 -1.392 283 HZ3 TRP 32 3HZ TRP 32 -12.973 12.559 -1.279 284 HH2 TRP 32 HH TRP 32 -15.166 11.476 -1.261 285 H PHE 33 H PHE 33 -7.999 8.475 -5.358 286 HA PHE 33 HA PHE 33 -8.156 11.404 -5.224 287 1HB PHE 33 2HB PHE 33 -6.106 11.432 -6.723 288 2HB PHE 33 1HB PHE 33 -5.826 10.967 -5.047 289 HD1 PHE 33 1HD PHE 33 -6.227 9.614 -8.476 290 HD2 PHE 33 2HD PHE 33 -4.835 8.917 -4.516 291 HE1 PHE 33 1HE PHE 33 -5.118 7.555 -9.233 292 HE2 PHE 33 2HE PHE 33 -3.723 6.854 -5.267 293 HZ PHE 33 HZ PHE 33 -3.864 6.172 -7.629 Start of MODEL 17 1 1H GLY 1 1H GLY 1 3.054 -17.545 -10.632 2 2H GLY 1 2H GLY 1 1.959 -17.037 -9.443 3 3H GLY 1 3H GLY 1 3.029 -18.314 -9.123 4 1HA GLY 1 2HA GLY 1 3.987 -15.601 -9.783 5 2HA GLY 1 1HA GLY 1 3.612 -16.075 -8.132 6 H SER 2 H SER 2 5.782 -16.478 -10.831 7 HA SER 2 HA SER 2 7.377 -18.554 -9.771 8 1HB SER 2 2HB SER 2 8.836 -16.688 -11.459 9 2HB SER 2 1HB SER 2 8.386 -18.365 -11.775 10 HG SER 2 HG SER 2 7.310 -17.160 -13.275 11 H ARG 3 H ARG 3 7.538 -15.039 -9.574 12 HA ARG 3 HA ARG 3 9.785 -15.236 -7.690 13 1HB ARG 3 2HB ARG 3 8.608 -12.637 -8.610 14 2HB ARG 3 1HB ARG 3 10.249 -12.987 -8.089 15 1HG ARG 3 2HG ARG 3 9.241 -14.256 -10.585 16 2HG ARG 3 1HG ARG 3 9.694 -12.550 -10.609 17 1HD ARG 3 2HD ARG 3 11.636 -14.249 -9.254 18 2HD ARG 3 1HD ARG 3 11.402 -14.668 -10.949 19 HE ARG 3 HE ARG 3 12.448 -12.143 -9.899 20 1HH1 ARG 3 2HH1 ARG 3 11.559 -14.121 -12.661 21 2HH1 ARG 3 1HH1 ARG 3 12.423 -13.129 -13.803 22 1HH2 ARG 3 2HH2 ARG 3 13.598 -10.866 -11.387 23 2HH2 ARG 3 1HH2 ARG 3 13.603 -11.292 -13.072 24 H LEU 4 H LEU 4 9.618 -14.365 -5.604 25 HA LEU 4 HA LEU 4 7.101 -14.672 -4.349 26 1HB LEU 4 2HB LEU 4 9.412 -14.923 -3.306 27 2HB LEU 4 1HB LEU 4 9.461 -13.173 -3.218 28 HG LEU 4 HG LEU 4 7.037 -13.840 -2.026 29 1HD1 LEU 4 1HD1 LEU 4 7.823 -15.442 -0.244 30 2HD1 LEU 4 2HD1 LEU 4 7.530 -16.146 -1.832 31 3HD1 LEU 4 3HD1 LEU 4 9.180 -15.823 -1.302 32 1HD2 LEU 4 1HD2 LEU 4 9.189 -13.557 -0.117 33 2HD2 LEU 4 2HD2 LEU 4 9.348 -12.410 -1.446 34 3HD2 LEU 4 3HD2 LEU 4 7.864 -12.455 -0.495 35 HA PRO 5 HA PRO 5 5.530 -10.666 -5.504 36 1HB PRO 5 2HB PRO 5 3.154 -10.874 -4.210 37 2HB PRO 5 1HB PRO 5 3.490 -11.688 -5.742 38 1HG PRO 5 2HG PRO 5 3.568 -12.784 -2.955 39 2HG PRO 5 1HG PRO 5 2.900 -13.513 -4.428 40 1HD PRO 5 2HD PRO 5 5.318 -14.207 -3.447 41 2HD PRO 5 1HD PRO 5 4.972 -14.189 -5.189 42 H LYS 6 H LYS 6 6.089 -11.816 -2.327 43 HA LYS 6 HA LYS 6 6.487 -10.843 -0.326 44 1HB LYS 6 2HB LYS 6 6.689 -8.287 -1.936 45 2HB LYS 6 1HB LYS 6 7.139 -8.453 -0.245 46 1HG LYS 6 2HG LYS 6 9.078 -9.504 -0.722 47 2HG LYS 6 1HG LYS 6 8.411 -10.333 -2.131 48 1HD LYS 6 2HD LYS 6 8.620 -7.410 -2.375 49 2HD LYS 6 1HD LYS 6 10.160 -8.264 -2.256 50 1HE LYS 6 2HE LYS 6 9.998 -8.803 -4.402 51 2HE LYS 6 1HE LYS 6 8.542 -9.731 -4.041 52 1HZ LYS 6 1HZ LYS 6 7.508 -7.310 -4.139 53 2HZ LYS 6 2HZ LYS 6 7.676 -8.277 -5.522 54 3HZ LYS 6 3HZ LYS 6 8.817 -7.066 -5.191 55 H LEU 7 H LEU 7 4.155 -11.546 -0.360 56 HA LEU 7 HA LEU 7 2.012 -11.268 0.347 57 1HB LEU 7 2HB LEU 7 3.171 -8.680 1.317 58 2HB LEU 7 1HB LEU 7 1.451 -8.959 1.404 59 HG LEU 7 HG LEU 7 2.264 -9.516 3.532 60 1HD1 LEU 7 1HD1 LEU 7 1.834 -11.889 3.740 61 2HD1 LEU 7 2HD1 LEU 7 0.710 -11.159 2.593 62 3HD1 LEU 7 3HD1 LEU 7 2.077 -12.105 2.007 63 1HD2 LEU 7 1HD2 LEU 7 4.579 -9.620 3.318 64 2HD2 LEU 7 2HD2 LEU 7 4.129 -11.276 3.725 65 3HD2 LEU 7 3HD2 LEU 7 4.504 -10.850 2.055 66 H TYR 8 H TYR 8 0.760 -8.510 0.272 67 HA TYR 8 HA TYR 8 0.420 -8.326 -2.643 68 1HB TYR 8 2HB TYR 8 -1.695 -8.006 -0.497 69 2HB TYR 8 1HB TYR 8 -1.956 -7.820 -2.232 70 HD1 TYR 8 1HD TYR 8 -1.112 -10.259 0.419 71 HD2 TYR 8 2HD TYR 8 -2.259 -9.705 -3.636 72 HE1 TYR 8 1HE TYR 8 -1.508 -12.669 0.212 73 HE2 TYR 8 2HE TYR 8 -2.677 -12.115 -3.852 74 HH TYR 8 HH TYR 8 -2.306 -14.311 -1.085 75 H LEU 9 H LEU 9 1.594 -6.580 -3.102 76 HA LEU 9 HA LEU 9 1.847 -4.365 -1.347 77 1HB LEU 9 2HB LEU 9 3.300 -5.325 -3.433 78 2HB LEU 9 1HB LEU 9 2.518 -3.957 -4.188 79 HG LEU 9 HG LEU 9 4.295 -3.879 -1.760 80 1HD1 LEU 9 1HD1 LEU 9 5.347 -2.201 -3.639 81 2HD1 LEU 9 2HD1 LEU 9 5.884 -3.854 -3.326 82 3HD1 LEU 9 3HD1 LEU 9 4.732 -3.531 -4.622 83 1HD2 LEU 9 1HD2 LEU 9 3.242 -2.015 -1.207 84 2HD2 LEU 9 2HD2 LEU 9 3.938 -1.297 -2.659 85 3HD2 LEU 9 3HD2 LEU 9 2.321 -1.999 -2.711 86 H CYS 10 H CYS 10 0.677 -2.625 -1.135 87 HA CYS 10 HA CYS 10 -1.722 -2.168 -2.579 88 1HB CYS 10 2HB CYS 10 -1.995 -1.205 -0.556 89 2HB CYS 10 1HB CYS 10 -0.266 -1.028 -0.311 90 H GLU 11 H GLU 11 1.395 -0.527 -2.457 91 HA GLU 11 HA GLU 11 2.634 0.555 -3.998 92 1HB GLU 11 2HB GLU 11 0.455 -0.405 -5.810 93 2HB GLU 11 1HB GLU 11 1.654 0.743 -6.395 94 1HG GLU 11 2HG GLU 11 3.226 -1.129 -5.202 95 2HG GLU 11 1HG GLU 11 1.895 -2.112 -5.814 96 H PHE 12 H PHE 12 -0.419 1.519 -3.012 97 HA PHE 12 HA PHE 12 -0.170 4.195 -4.177 98 1HB PHE 12 2HB PHE 12 -2.241 3.097 -2.258 99 2HB PHE 12 1HB PHE 12 -2.289 4.680 -3.024 100 HD1 PHE 12 1HD PHE 12 -3.471 1.414 -3.184 101 HD2 PHE 12 2HD PHE 12 -2.131 4.595 -5.671 102 HE1 PHE 12 1HE PHE 12 -4.698 0.442 -5.080 103 HE2 PHE 12 2HE PHE 12 -3.355 3.629 -7.573 104 HZ PHE 12 HZ PHE 12 -4.641 1.549 -7.282 105 H CYS 13 H CYS 13 -0.057 2.516 -1.074 106 HA CYS 13 HA CYS 13 1.580 4.740 -0.056 107 1HB CYS 13 2HB CYS 13 0.751 4.451 2.173 108 2HB CYS 13 1HB CYS 13 -0.637 4.643 1.111 109 H LEU 14 H LEU 14 1.510 1.688 -1.118 110 HA LEU 14 HA LEU 14 2.965 -0.041 -1.127 111 1HB LEU 14 2HB LEU 14 4.812 1.851 0.321 112 2HB LEU 14 1HB LEU 14 5.281 0.385 -0.518 113 HG LEU 14 HG LEU 14 3.844 2.430 -2.110 114 1HD1 LEU 14 1HD1 LEU 14 5.710 3.836 -2.416 115 2HD1 LEU 14 2HD1 LEU 14 5.496 3.680 -0.672 116 3HD1 LEU 14 3HD1 LEU 14 6.762 2.765 -1.492 117 1HD2 LEU 14 1HD2 LEU 14 4.533 1.044 -3.695 118 2HD2 LEU 14 2HD2 LEU 14 6.198 1.500 -3.330 119 3HD2 LEU 14 3HD2 LEU 14 5.466 0.113 -2.524 120 H LYS 15 H LYS 15 1.130 -0.436 0.692 121 HA LYS 15 HA LYS 15 2.615 -1.477 3.013 122 1HB LYS 15 2HB LYS 15 0.932 0.349 3.518 123 2HB LYS 15 1HB LYS 15 -0.320 -0.768 2.988 124 1HG LYS 15 2HG LYS 15 -0.366 -1.120 5.244 125 2HG LYS 15 1HG LYS 15 0.786 -2.361 4.750 126 1HD LYS 15 2HD LYS 15 2.593 -0.619 5.205 127 2HD LYS 15 1HD LYS 15 1.332 0.306 6.025 128 1HE LYS 15 2HE LYS 15 2.217 -2.499 6.697 129 2HE LYS 15 1HE LYS 15 2.595 -1.041 7.613 130 1HZ LYS 15 1HZ LYS 15 0.704 -2.440 8.474 131 2HZ LYS 15 2HZ LYS 15 -0.192 -1.928 7.127 132 3HZ LYS 15 3HZ LYS 15 0.363 -0.794 8.255 133 H TYR 16 H TYR 16 2.751 -3.594 3.029 134 HA TYR 16 HA TYR 16 1.435 -5.201 1.126 135 1HB TYR 16 2HB TYR 16 3.098 -5.859 3.551 136 2HB TYR 16 1HB TYR 16 2.491 -7.087 2.442 137 HD1 TYR 16 1HD TYR 16 2.802 -5.638 -0.123 138 HD2 TYR 16 2HD TYR 16 5.399 -5.965 3.208 139 HE1 TYR 16 1HE TYR 16 4.724 -5.298 -1.619 140 HE2 TYR 16 2HE TYR 16 7.351 -5.625 1.740 141 HH TYR 16 HH TYR 16 8.046 -5.569 -0.410 142 H MET 17 H MET 17 -0.424 -6.205 1.163 143 HA MET 17 HA MET 17 -1.881 -6.438 3.698 144 1HB MET 17 2HB MET 17 -2.815 -6.715 0.836 145 2HB MET 17 1HB MET 17 -3.837 -6.991 2.234 146 1HG MET 17 2HG MET 17 -2.429 -4.395 1.694 147 2HG MET 17 1HG MET 17 -4.074 -4.745 1.173 148 1HE MET 17 1HE MET 17 -2.649 -2.448 3.728 149 2HE MET 17 2HE MET 17 -2.565 -3.430 5.192 150 3HE MET 17 3HE MET 17 -1.636 -3.892 3.766 151 H LYS 18 H LYS 18 -2.752 -8.440 4.335 152 HA LYS 18 HA LYS 18 -0.938 -10.575 3.757 153 1HB LYS 18 2HB LYS 18 -2.962 -9.958 5.778 154 2HB LYS 18 1HB LYS 18 -2.868 -11.667 5.378 155 1HG LYS 18 2HG LYS 18 -1.402 -10.669 7.292 156 2HG LYS 18 1HG LYS 18 -0.746 -11.895 6.205 157 1HD LYS 18 2HD LYS 18 0.929 -10.488 5.787 158 2HD LYS 18 1HD LYS 18 -0.231 -9.469 4.935 159 1HE LYS 18 2HE LYS 18 -0.070 -7.887 6.489 160 2HE LYS 18 1HE LYS 18 -0.431 -9.045 7.770 161 1HZ LYS 18 1HZ LYS 18 2.000 -9.716 7.545 162 2HZ LYS 18 2HZ LYS 18 1.674 -8.223 8.283 163 3HZ LYS 18 3HZ LYS 18 2.206 -8.272 6.675 164 H SER 19 H SER 19 -4.170 -9.791 2.760 165 HA SER 19 HA SER 19 -4.245 -12.303 1.230 166 1HB SER 19 2HB SER 19 -6.800 -11.084 2.151 167 2HB SER 19 1HB SER 19 -6.409 -12.778 1.844 168 HG SER 19 HG SER 19 -4.982 -12.518 3.789 169 H ARG 20 H ARG 20 -5.522 -12.227 -0.716 170 HA ARG 20 HA ARG 20 -5.093 -9.883 -2.246 171 1HB ARG 20 2HB ARG 20 -5.601 -12.498 -2.825 172 2HB ARG 20 1HB ARG 20 -7.155 -11.767 -3.198 173 1HG ARG 20 2HG ARG 20 -6.377 -10.734 -5.032 174 2HG ARG 20 1HG ARG 20 -4.829 -10.345 -4.279 175 1HD ARG 20 2HD ARG 20 -4.142 -11.864 -5.844 176 2HD ARG 20 1HD ARG 20 -4.446 -12.938 -4.480 177 HE ARG 20 HE ARG 20 -6.641 -13.407 -5.538 178 1HH1 ARG 20 2HH1 ARG 20 -4.006 -12.170 -7.488 179 2HH1 ARG 20 1HH1 ARG 20 -4.624 -12.838 -8.974 180 1HH2 ARG 20 2HH2 ARG 20 -7.444 -14.310 -7.483 181 2HH2 ARG 20 1HH2 ARG 20 -6.552 -14.087 -8.961 182 H THR 21 H THR 21 -7.968 -11.272 -0.715 183 HA THR 21 HA THR 21 -9.851 -9.417 -1.673 184 HB THR 21 HB THR 21 -10.852 -10.131 0.757 185 HG1 THR 21 1HG THR 21 -9.709 -11.713 1.565 186 1HG2 THR 21 1HG2 THR 21 -11.933 -12.012 -0.433 187 2HG2 THR 21 2HG2 THR 21 -10.807 -11.784 -1.772 188 3HG2 THR 21 3HG2 THR 21 -11.963 -10.514 -1.366 189 H ILE 22 H ILE 22 -7.816 -9.462 1.211 190 HA ILE 22 HA ILE 22 -8.850 -7.151 2.430 191 HB ILE 22 HB ILE 22 -6.227 -8.602 2.690 192 1HG1 ILE 22 2HG1 ILE 22 -8.572 -8.263 4.570 193 1HG2 ILE 22 1HG2 ILE 22 -5.301 -6.887 3.735 194 2HG2 ILE 22 2HG2 ILE 22 -6.738 -5.911 3.427 195 3HG2 ILE 22 3HG2 ILE 22 -6.628 -6.879 4.898 196 1HD1 ILE 22 1HD1 ILE 22 -6.291 -10.209 4.778 197 2HD1 ILE 22 2HD1 ILE 22 -6.408 -8.708 5.699 198 3HD1 ILE 22 3HD1 ILE 22 -7.617 -9.972 5.920 199 H LEU 23 H LEU 23 -6.271 -7.669 0.072 200 HA LEU 23 HA LEU 23 -5.221 -5.051 0.079 201 1HB LEU 23 2HB LEU 23 -4.469 -7.335 -1.076 202 2HB LEU 23 1HB LEU 23 -5.305 -6.632 -2.443 203 HG LEU 23 HG LEU 23 -2.691 -5.976 -1.294 204 1HD1 LEU 23 1HD1 LEU 23 -3.982 -6.317 -3.856 205 2HD1 LEU 23 2HD1 LEU 23 -2.913 -4.915 -3.827 206 3HD1 LEU 23 3HD1 LEU 23 -2.289 -6.510 -3.403 207 1HD2 LEU 23 1HD2 LEU 23 -3.854 -3.965 -0.578 208 2HD2 LEU 23 2HD2 LEU 23 -2.747 -3.614 -1.905 209 3HD2 LEU 23 3HD2 LEU 23 -4.480 -3.732 -2.210 210 H GLN 24 H GLN 24 -7.878 -6.582 -1.651 211 HA GLN 24 HA GLN 24 -8.527 -4.407 -3.339 212 1HB GLN 24 2HB GLN 24 -9.729 -6.952 -2.582 213 2HB GLN 24 1HB GLN 24 -10.923 -5.689 -2.850 214 1HG GLN 24 2HG GLN 24 -8.747 -6.194 -4.838 215 2HG GLN 24 1HG GLN 24 -10.219 -7.167 -4.827 216 1HE2 GLN 24 1HE2 GLN 24 -11.715 -6.490 -6.159 217 2HE2 GLN 24 2HE2 GLN 24 -11.989 -4.854 -6.655 218 H GLN 25 H GLN 25 -9.526 -5.309 -0.074 219 HA GLN 25 HA GLN 25 -11.437 -3.241 0.313 220 1HB GLN 25 2HB GLN 25 -9.697 -4.517 2.432 221 2HB GLN 25 1HB GLN 25 -11.236 -3.707 2.674 222 1HG GLN 25 2HG GLN 25 -12.450 -5.482 1.841 223 2HG GLN 25 1HG GLN 25 -11.082 -6.123 0.933 224 1HE2 GLN 25 1HE2 GLN 25 -12.119 -8.056 2.127 225 2HE2 GLN 25 2HE2 GLN 25 -11.389 -8.459 3.652 226 H HIS 26 H HIS 26 -7.983 -3.524 0.975 227 HA HIS 26 HA HIS 26 -7.615 -1.050 2.225 228 1HB HIS 26 2HB HIS 26 -5.936 -2.804 2.341 229 2HB HIS 26 1HB HIS 26 -5.680 -2.719 0.602 230 HD1 HIS 26 1HD HIS 26 -4.605 -1.182 3.806 231 HD2 HIS 26 2HD HIS 26 -4.377 -0.326 -0.274 232 HE1 HIS 26 1HE HIS 26 -2.863 0.650 3.538 233 H MET 27 H MET 27 -7.453 -1.974 -1.178 234 HA MET 27 HA MET 27 -6.486 0.477 -2.169 235 1HB MET 27 2HB MET 27 -7.877 -1.879 -3.348 236 2HB MET 27 1HB MET 27 -7.709 -0.424 -4.321 237 1HG MET 27 2HG MET 27 -5.233 -0.533 -3.774 238 2HG MET 27 1HG MET 27 -5.550 -2.158 -3.173 239 1HE MET 27 1HE MET 27 -4.107 -3.422 -4.517 240 2HE MET 27 2HE MET 27 -4.078 -3.571 -6.274 241 3HE MET 27 3HE MET 27 -3.369 -2.154 -5.497 242 H LYS 28 H LYS 28 -9.420 -0.192 -0.787 243 HA LYS 28 HA LYS 28 -11.024 1.650 -2.327 244 1HB LYS 28 2HB LYS 28 -11.471 -0.218 -0.120 245 2HB LYS 28 1HB LYS 28 -12.327 1.305 0.086 246 1HG LYS 28 2HG LYS 28 -13.816 -0.132 -1.026 247 2HG LYS 28 1HG LYS 28 -13.209 0.975 -2.261 248 1HD LYS 28 2HD LYS 28 -11.391 -1.009 -2.456 249 2HD LYS 28 1HD LYS 28 -12.810 -1.929 -1.949 250 1HE LYS 28 2HE LYS 28 -14.069 -1.190 -3.811 251 2HE LYS 28 1HE LYS 28 -12.871 0.037 -4.224 252 1HZ LYS 28 1HZ LYS 28 -12.490 -2.907 -4.394 253 2HZ LYS 28 2HZ LYS 28 -11.310 -1.740 -4.768 254 3HZ LYS 28 3HZ LYS 28 -12.717 -1.850 -5.701 255 H LYS 29 H LYS 29 -9.525 1.595 0.898 256 HA LYS 29 HA LYS 29 -10.135 4.334 1.447 257 1HB LYS 29 2HB LYS 29 -7.819 3.338 2.885 258 2HB LYS 29 1HB LYS 29 -9.372 3.872 3.506 259 1HG LYS 29 2HG LYS 29 -9.914 1.786 3.988 260 2HG LYS 29 1HG LYS 29 -9.720 1.325 2.295 261 1HD LYS 29 2HD LYS 29 -7.793 0.294 2.707 262 2HD LYS 29 1HD LYS 29 -7.169 1.672 3.614 263 1HE LYS 29 2HE LYS 29 -9.241 0.108 4.989 264 2HE LYS 29 1HE LYS 29 -7.735 -0.756 4.686 265 1HZ LYS 29 1HZ LYS 29 -6.673 1.387 5.643 266 2HZ LYS 29 2HZ LYS 29 -7.323 0.230 6.701 267 3HZ LYS 29 3HZ LYS 29 -8.205 1.633 6.332 268 H CYS 30 H CYS 30 -7.428 2.573 0.125 269 HA CYS 30 HA CYS 30 -5.820 4.962 -0.190 270 1HB CYS 30 2HB CYS 30 -5.335 2.173 -0.109 271 2HB CYS 30 1HB CYS 30 -4.826 2.735 -1.693 272 H GLY 31 H GLY 31 -8.086 5.508 -1.366 273 1HA GLY 31 1HA GLY 31 -7.415 6.144 -4.015 274 2HA GLY 31 2HA GLY 31 -8.483 4.740 -4.038 275 H TRP 32 H TRP 32 -10.118 5.240 -1.933 276 HA TRP 32 HA TRP 32 -11.658 7.582 -2.804 277 1HB TRP 32 2HB TRP 32 -12.999 5.647 -2.760 278 2HB TRP 32 1HB TRP 32 -12.297 5.093 -1.239 279 HD1 TRP 32 HD TRP 32 -13.568 5.670 0.867 280 HE1 TRP 32 1HE TRP 32 -15.492 7.271 1.480 281 HE3 TRP 32 3HE TRP 32 -14.047 8.053 -3.613 282 HZ2 TRP 32 2HZ TRP 32 -16.993 9.278 0.179 283 HZ3 TRP 32 3HZ TRP 32 -15.759 9.801 -3.851 284 HH2 TRP 32 HH TRP 32 -17.212 10.400 -1.986 285 H PHE 33 H PHE 33 -11.195 5.997 0.355 286 HA PHE 33 HA PHE 33 -9.570 7.806 1.596 287 1HB PHE 33 2HB PHE 33 -12.125 8.998 1.179 288 2HB PHE 33 1HB PHE 33 -11.973 8.654 2.903 289 HD1 PHE 33 1HD PHE 33 -12.197 11.289 2.746 290 HD2 PHE 33 2HD PHE 33 -8.759 9.058 1.598 291 HE1 PHE 33 1HE PHE 33 -10.804 13.301 3.010 292 HE2 PHE 33 2HE PHE 33 -7.362 11.061 1.866 293 HZ PHE 33 HZ PHE 33 -8.384 13.186 2.567 Start of MODEL 18 1 1H GLY 1 1H GLY 1 12.359 -11.421 5.721 2 2H GLY 1 2H GLY 1 13.374 -10.125 5.317 3 3H GLY 1 3H GLY 1 12.124 -10.582 4.266 4 1HA GLY 1 2HA GLY 1 12.004 -8.625 6.162 5 2HA GLY 1 1HA GLY 1 10.637 -9.336 5.312 6 H SER 2 H SER 2 9.411 -8.869 7.240 7 HA SER 2 HA SER 2 9.705 -11.028 9.211 8 1HB SER 2 2HB SER 2 8.557 -8.560 10.309 9 2HB SER 2 1HB SER 2 9.780 -9.635 10.992 10 HG SER 2 HG SER 2 10.099 -7.463 9.209 11 H ARG 3 H ARG 3 7.639 -11.373 10.439 12 HA ARG 3 HA ARG 3 5.432 -11.880 10.483 13 1HB ARG 3 2HB ARG 3 5.153 -9.412 8.756 14 2HB ARG 3 1HB ARG 3 3.830 -10.240 9.566 15 1HG ARG 3 2HG ARG 3 6.114 -9.329 11.222 16 2HG ARG 3 1HG ARG 3 5.000 -8.108 10.599 17 1HD ARG 3 2HD ARG 3 3.920 -8.605 12.533 18 2HD ARG 3 1HD ARG 3 3.212 -9.852 11.507 19 HE ARG 3 HE ARG 3 5.393 -10.268 13.453 20 1HH1 ARG 3 2HH1 ARG 3 2.780 -11.500 11.459 21 2HH1 ARG 3 1HH1 ARG 3 2.863 -13.111 12.118 22 1HH2 ARG 3 2HH2 ARG 3 5.505 -12.384 14.327 23 2HH2 ARG 3 1HH2 ARG 3 4.376 -13.601 13.792 24 H LEU 4 H LEU 4 7.185 -12.878 8.304 25 HA LEU 4 HA LEU 4 7.074 -14.180 6.451 26 1HB LEU 4 2HB LEU 4 4.904 -14.862 8.004 27 2HB LEU 4 1HB LEU 4 4.175 -14.561 6.437 28 HG LEU 4 HG LEU 4 5.713 -16.202 5.421 29 1HD1 LEU 4 1HD1 LEU 4 7.157 -15.846 7.785 30 2HD1 LEU 4 2HD1 LEU 4 6.547 -17.499 7.846 31 3HD1 LEU 4 3HD1 LEU 4 7.513 -16.966 6.469 32 1HD2 LEU 4 1HD2 LEU 4 3.457 -16.680 6.873 33 2HD2 LEU 4 2HD2 LEU 4 4.287 -17.870 5.869 34 3HD2 LEU 4 3HD2 LEU 4 4.604 -17.804 7.603 35 HA PRO 5 HA PRO 5 5.651 -10.607 3.934 36 1HB PRO 5 2HB PRO 5 8.244 -10.971 2.598 37 2HB PRO 5 1HB PRO 5 7.576 -9.539 3.388 38 1HG PRO 5 2HG PRO 5 9.600 -10.914 4.474 39 2HG PRO 5 1HG PRO 5 8.334 -10.174 5.474 40 1HD PRO 5 2HD PRO 5 8.619 -13.034 4.609 41 2HD PRO 5 1HD PRO 5 8.232 -12.381 6.217 42 H LYS 6 H LYS 6 6.782 -10.558 1.309 43 HA LYS 6 HA LYS 6 6.392 -11.302 -0.796 44 1HB LYS 6 2HB LYS 6 6.762 -13.772 0.670 45 2HB LYS 6 1HB LYS 6 5.547 -13.973 -0.583 46 1HG LYS 6 2HG LYS 6 7.241 -12.925 -2.167 47 2HG LYS 6 1HG LYS 6 8.425 -13.196 -0.885 48 1HD LYS 6 2HD LYS 6 7.176 -15.616 -1.015 49 2HD LYS 6 1HD LYS 6 7.140 -15.098 -2.702 50 1HE LYS 6 2HE LYS 6 9.672 -14.847 -1.146 51 2HE LYS 6 1HE LYS 6 9.191 -16.429 -1.757 52 1HZ LYS 6 1HZ LYS 6 9.525 -13.980 -3.414 53 2HZ LYS 6 2HZ LYS 6 9.123 -15.529 -3.986 54 3HZ LYS 6 3HZ LYS 6 10.646 -15.246 -3.299 55 H LEU 7 H LEU 7 4.561 -9.869 0.148 56 HA LEU 7 HA LEU 7 1.985 -11.278 -0.128 57 1HB LEU 7 2HB LEU 7 2.336 -8.621 1.225 58 2HB LEU 7 1HB LEU 7 1.026 -9.770 1.397 59 HG LEU 7 HG LEU 7 3.830 -10.176 2.439 60 1HD1 LEU 7 1HD1 LEU 7 2.012 -8.461 3.469 61 2HD1 LEU 7 2HD1 LEU 7 1.598 -9.951 4.320 62 3HD1 LEU 7 3HD1 LEU 7 3.239 -9.311 4.410 63 1HD2 LEU 7 1HD2 LEU 7 1.630 -11.976 2.007 64 2HD2 LEU 7 2HD2 LEU 7 3.256 -12.320 2.599 65 3HD2 LEU 7 3HD2 LEU 7 1.989 -11.845 3.729 66 H TYR 8 H TYR 8 0.343 -9.087 -0.388 67 HA TYR 8 HA TYR 8 0.970 -8.228 -3.111 68 1HB TYR 8 2HB TYR 8 -1.610 -7.550 -1.765 69 2HB TYR 8 1HB TYR 8 -1.298 -7.946 -3.453 70 HD1 TYR 8 1HD TYR 8 -1.403 -10.195 -4.234 71 HD2 TYR 8 2HD TYR 8 -1.777 -9.358 -0.082 72 HE1 TYR 8 1HE TYR 8 -2.186 -12.484 -3.844 73 HE2 TYR 8 2HE TYR 8 -2.568 -11.643 0.317 74 HH TYR 8 HH TYR 8 -3.700 -13.483 -1.054 75 H LEU 9 H LEU 9 1.537 -6.211 -3.583 76 HA LEU 9 HA LEU 9 1.928 -4.384 -1.364 77 1HB LEU 9 2HB LEU 9 3.686 -4.991 -3.079 78 2HB LEU 9 1HB LEU 9 2.777 -4.038 -4.234 79 HG LEU 9 HG LEU 9 3.187 -2.018 -2.988 80 1HD1 LEU 9 1HD1 LEU 9 4.136 -3.921 -0.907 81 2HD1 LEU 9 2HD1 LEU 9 4.883 -2.327 -1.007 82 3HD1 LEU 9 3HD1 LEU 9 3.145 -2.472 -0.742 83 1HD2 LEU 9 1HD2 LEU 9 4.921 -2.579 -4.521 84 2HD2 LEU 9 2HD2 LEU 9 5.694 -2.003 -3.044 85 3HD2 LEU 9 3HD2 LEU 9 5.629 -3.732 -3.387 86 H CYS 10 H CYS 10 0.953 -2.471 -1.085 87 HA CYS 10 HA CYS 10 -1.259 -1.723 -2.784 88 1HB CYS 10 2HB CYS 10 -1.797 -1.441 -0.505 89 2HB CYS 10 1HB CYS 10 -0.221 -0.762 -0.122 90 H GLU 11 H GLU 11 -1.115 -0.208 -4.247 91 HA GLU 11 HA GLU 11 1.448 0.981 -4.824 92 1HB GLU 11 2HB GLU 11 -1.169 0.760 -6.249 93 2HB GLU 11 1HB GLU 11 -0.030 1.998 -6.760 94 1HG GLU 11 2HG GLU 11 1.321 0.523 -7.739 95 2HG GLU 11 1HG GLU 11 1.170 -0.640 -6.424 96 H PHE 12 H PHE 12 -0.790 1.841 -2.677 97 HA PHE 12 HA PHE 12 -0.666 4.701 -3.354 98 1HB PHE 12 2HB PHE 12 -2.625 3.261 -1.561 99 2HB PHE 12 1HB PHE 12 -2.662 4.975 -1.964 100 HD1 PHE 12 1HD PHE 12 -3.852 1.773 -2.826 101 HD2 PHE 12 2HD PHE 12 -2.771 5.531 -4.506 102 HE1 PHE 12 1HE PHE 12 -5.200 1.266 -4.820 103 HE2 PHE 12 2HE PHE 12 -4.117 5.029 -6.500 104 HZ PHE 12 HZ PHE 12 -5.332 2.894 -6.659 105 H CYS 13 H CYS 13 -0.211 2.416 -0.674 106 HA CYS 13 HA CYS 13 1.392 4.533 0.597 107 1HB CYS 13 2HB CYS 13 0.754 3.802 2.808 108 2HB CYS 13 1HB CYS 13 -0.691 4.189 1.884 109 H LEU 14 H LEU 14 1.447 1.693 -0.928 110 HA LEU 14 HA LEU 14 2.916 0.015 -1.196 111 1HB LEU 14 2HB LEU 14 4.675 2.205 -0.130 112 2HB LEU 14 1HB LEU 14 5.325 0.664 -0.666 113 HG LEU 14 HG LEU 14 3.521 1.847 -2.619 114 1HD1 LEU 14 1HD1 LEU 14 4.601 3.862 -1.465 115 2HD1 LEU 14 2HD1 LEU 14 6.094 3.323 -2.236 116 3HD1 LEU 14 3HD1 LEU 14 4.696 3.750 -3.223 117 1HD2 LEU 14 1HD2 LEU 14 5.105 -0.060 -2.938 118 2HD2 LEU 14 2HD2 LEU 14 5.224 1.219 -4.146 119 3HD2 LEU 14 3HD2 LEU 14 6.424 1.107 -2.857 120 H LYS 15 H LYS 15 1.511 -0.822 0.668 121 HA LYS 15 HA LYS 15 3.387 -1.966 2.612 122 1HB LYS 15 2HB LYS 15 0.521 -1.158 3.152 123 2HB LYS 15 1HB LYS 15 1.490 -2.148 4.236 124 1HG LYS 15 2HG LYS 15 2.365 0.592 3.380 125 2HG LYS 15 1HG LYS 15 1.296 0.336 4.761 126 1HD LYS 15 2HD LYS 15 3.101 -1.324 5.561 127 2HD LYS 15 1HD LYS 15 4.146 -0.516 4.391 128 1HE LYS 15 2HE LYS 15 2.627 1.285 6.145 129 2HE LYS 15 1HE LYS 15 3.811 0.273 6.970 130 1HZ LYS 15 1HZ LYS 15 4.247 2.345 4.925 131 2HZ LYS 15 2HZ LYS 15 5.365 1.084 5.085 132 3HZ LYS 15 3HZ LYS 15 5.045 2.104 6.403 133 H TYR 16 H TYR 16 2.814 -4.187 3.221 134 HA TYR 16 HA TYR 16 1.564 -5.522 0.948 135 1HB TYR 16 2HB TYR 16 3.459 -6.418 3.111 136 2HB TYR 16 1HB TYR 16 2.699 -7.555 2.003 137 HD1 TYR 16 1HD TYR 16 5.447 -5.369 2.519 138 HD2 TYR 16 2HD TYR 16 3.050 -7.126 -0.523 139 HE1 TYR 16 1HE TYR 16 7.233 -4.951 0.879 140 HE2 TYR 16 2HE TYR 16 4.826 -6.712 -2.170 141 HH TYR 16 HH TYR 16 7.637 -4.791 -1.409 142 H MET 17 H MET 17 -0.323 -6.552 1.060 143 HA MET 17 HA MET 17 -1.678 -6.754 3.642 144 1HB MET 17 2HB MET 17 -2.752 -7.420 0.898 145 2HB MET 17 1HB MET 17 -3.682 -7.225 2.375 146 1HG MET 17 2HG MET 17 -2.444 -5.170 0.620 147 2HG MET 17 1HG MET 17 -4.053 -5.233 1.330 148 1HE MET 17 1HE MET 17 -1.450 -3.294 0.967 149 2HE MET 17 2HE MET 17 -2.592 -2.211 1.767 150 3HE MET 17 3HE MET 17 -1.001 -2.494 2.473 151 H LYS 18 H LYS 18 -2.508 -8.692 4.483 152 HA LYS 18 HA LYS 18 -0.896 -10.998 3.867 153 1HB LYS 18 2HB LYS 18 -1.803 -10.171 6.177 154 2HB LYS 18 1HB LYS 18 -3.236 -11.088 5.736 155 1HG LYS 18 2HG LYS 18 -2.187 -12.792 6.731 156 2HG LYS 18 1HG LYS 18 -1.276 -12.896 5.225 157 1HD LYS 18 2HD LYS 18 -0.281 -10.993 7.266 158 2HD LYS 18 1HD LYS 18 -0.104 -12.712 7.623 159 1HE LYS 18 2HE LYS 18 0.672 -12.336 4.934 160 2HE LYS 18 1HE LYS 18 1.445 -11.065 5.876 161 1HZ LYS 18 1HZ LYS 18 2.072 -13.829 5.744 162 2HZ LYS 18 2HZ LYS 18 1.768 -13.366 7.350 163 3HZ LYS 18 3HZ LYS 18 2.952 -12.560 6.444 164 H SER 19 H SER 19 -4.123 -9.946 3.102 165 HA SER 19 HA SER 19 -4.451 -12.386 1.513 166 1HB SER 19 2HB SER 19 -6.688 -11.163 3.146 167 2HB SER 19 1HB SER 19 -6.784 -12.612 2.143 168 HG SER 19 HG SER 19 -4.796 -13.042 3.771 169 H ARG 20 H ARG 20 -5.672 -12.141 -0.389 170 HA ARG 20 HA ARG 20 -5.303 -9.654 -1.644 171 1HB ARG 20 2HB ARG 20 -5.556 -12.118 -2.588 172 2HB ARG 20 1HB ARG 20 -7.226 -11.606 -2.808 173 1HG ARG 20 2HG ARG 20 -6.627 -9.896 -4.285 174 2HG ARG 20 1HG ARG 20 -4.933 -9.957 -3.798 175 1HD ARG 20 2HD ARG 20 -5.622 -12.524 -4.738 176 2HD ARG 20 1HD ARG 20 -6.246 -11.357 -5.906 177 HE ARG 20 HE ARG 20 -3.790 -10.422 -5.597 178 1HH1 ARG 20 2HH1 ARG 20 -4.881 -13.731 -5.942 179 2HH1 ARG 20 1HH1 ARG 20 -3.412 -14.272 -6.702 180 1HH2 ARG 20 2HH2 ARG 20 -1.846 -11.127 -6.591 181 2HH2 ARG 20 1HH2 ARG 20 -1.692 -12.795 -7.078 182 H THR 21 H THR 21 -8.149 -11.103 -0.153 183 HA THR 21 HA THR 21 -10.020 -9.223 -1.142 184 HB THR 21 HB THR 21 -10.220 -11.523 0.317 185 HG1 THR 21 1HG THR 21 -11.996 -11.088 -0.751 186 1HG2 THR 21 1HG2 THR 21 -9.851 -10.814 2.477 187 2HG2 THR 21 2HG2 THR 21 -11.604 -10.655 2.356 188 3HG2 THR 21 3HG2 THR 21 -10.576 -9.231 2.197 189 H ILE 22 H ILE 22 -7.667 -9.133 1.390 190 HA ILE 22 HA ILE 22 -8.687 -6.795 2.703 191 HB ILE 22 HB ILE 22 -6.044 -8.246 2.812 192 1HG1 ILE 22 2HG1 ILE 22 -8.000 -7.793 5.056 193 1HG2 ILE 22 1HG2 ILE 22 -5.578 -6.713 4.783 194 2HG2 ILE 22 2HG2 ILE 22 -5.413 -6.014 3.171 195 3HG2 ILE 22 3HG2 ILE 22 -6.849 -5.676 4.136 196 1HD1 ILE 22 1HD1 ILE 22 -5.957 -8.673 5.844 197 2HD1 ILE 22 2HD1 ILE 22 -7.098 -10.017 5.785 198 3HD1 ILE 22 3HD1 ILE 22 -5.872 -9.845 4.526 199 H LEU 23 H LEU 23 -6.279 -7.563 0.244 200 HA LEU 23 HA LEU 23 -5.208 -4.978 -0.074 201 1HB LEU 23 2HB LEU 23 -4.555 -7.387 -1.032 202 2HB LEU 23 1HB LEU 23 -5.442 -6.795 -2.420 203 HG LEU 23 HG LEU 23 -2.739 -6.295 -1.683 204 1HD1 LEU 23 1HD1 LEU 23 -2.508 -5.752 -3.871 205 2HD1 LEU 23 2HD1 LEU 23 -4.011 -6.673 -3.938 206 3HD1 LEU 23 3HD1 LEU 23 -4.055 -4.911 -3.947 207 1HD2 LEU 23 1HD2 LEU 23 -3.663 -4.342 -0.461 208 2HD2 LEU 23 2HD2 LEU 23 -2.576 -3.919 -1.784 209 3HD2 LEU 23 3HD2 LEU 23 -4.318 -3.754 -1.991 210 H GLN 24 H GLN 24 -7.992 -6.607 -1.478 211 HA GLN 24 HA GLN 24 -8.638 -4.670 -3.428 212 1HB GLN 24 2HB GLN 24 -10.300 -6.738 -1.992 213 2HB GLN 24 1HB GLN 24 -10.957 -5.700 -3.250 214 1HG GLN 24 2HG GLN 24 -8.744 -7.717 -3.539 215 2HG GLN 24 1HG GLN 24 -10.373 -7.816 -4.202 216 1HE2 GLN 24 1HE2 GLN 24 -7.407 -7.488 -5.192 217 2HE2 GLN 24 2HE2 GLN 24 -7.586 -6.367 -6.499 218 H GLN 25 H GLN 25 -10.057 -5.205 -0.184 219 HA GLN 25 HA GLN 25 -11.682 -2.902 -0.245 220 1HB GLN 25 2HB GLN 25 -11.862 -3.199 2.215 221 2HB GLN 25 1HB GLN 25 -12.177 -4.674 1.316 222 1HG GLN 25 2HG GLN 25 -10.332 -5.724 2.108 223 2HG GLN 25 1HG GLN 25 -9.405 -4.234 2.256 224 1HE2 GLN 25 1HE2 GLN 25 -12.187 -5.911 3.656 225 2HE2 GLN 25 2HE2 GLN 25 -11.904 -5.388 5.282 226 H HIS 26 H HIS 26 -8.377 -3.427 0.752 227 HA HIS 26 HA HIS 26 -8.009 -0.974 2.091 228 1HB HIS 26 2HB HIS 26 -6.484 -2.822 2.466 229 2HB HIS 26 1HB HIS 26 -6.013 -2.827 0.771 230 HD1 HIS 26 1HD HIS 26 -5.138 -1.330 4.024 231 HD2 HIS 26 2HD HIS 26 -4.520 -0.488 -0.010 232 HE1 HIS 26 1HE HIS 26 -3.320 0.455 3.917 233 H MET 27 H MET 27 -7.137 -2.002 -1.211 234 HA MET 27 HA MET 27 -5.937 0.401 -1.965 235 1HB MET 27 2HB MET 27 -7.021 -1.961 -3.407 236 2HB MET 27 1HB MET 27 -6.726 -0.509 -4.355 237 1HG MET 27 2HG MET 27 -4.399 -0.514 -3.312 238 2HG MET 27 1HG MET 27 -4.767 -2.163 -2.809 239 1HE MET 27 1HE MET 27 -5.644 -3.672 -6.421 240 2HE MET 27 2HE MET 27 -5.388 -4.166 -4.748 241 3HE MET 27 3HE MET 27 -6.658 -3.006 -5.140 242 H LYS 28 H LYS 28 -9.268 -0.446 -1.766 243 HA LYS 28 HA LYS 28 -10.208 1.634 -3.502 244 1HB LYS 28 2HB LYS 28 -11.399 -0.462 -1.804 245 2HB LYS 28 1HB LYS 28 -12.369 0.994 -1.977 246 1HG LYS 28 2HG LYS 28 -12.896 -0.778 -3.623 247 2HG LYS 28 1HG LYS 28 -12.429 0.757 -4.355 248 1HD LYS 28 2HD LYS 28 -10.028 -0.589 -4.108 249 2HD LYS 28 1HD LYS 28 -11.172 -1.863 -4.536 250 1HE LYS 28 2HE LYS 28 -11.684 -0.915 -6.570 251 2HE LYS 28 1HE LYS 28 -11.221 0.704 -6.050 252 1HZ LYS 28 1HZ LYS 28 -9.706 -0.489 -7.678 253 2HZ LYS 28 2HZ LYS 28 -9.219 -1.453 -6.376 254 3HZ LYS 28 3HZ LYS 28 -8.965 0.224 -6.332 255 H LYS 29 H LYS 29 -9.229 1.426 -0.218 256 HA LYS 29 HA LYS 29 -10.562 3.930 0.477 257 1HB LYS 29 2HB LYS 29 -10.554 1.971 2.064 258 2HB LYS 29 1HB LYS 29 -8.817 2.199 2.229 259 1HG LYS 29 2HG LYS 29 -10.124 4.693 2.680 260 2HG LYS 29 1HG LYS 29 -10.885 3.446 3.674 261 1HD LYS 29 2HD LYS 29 -8.564 2.774 4.394 262 2HD LYS 29 1HD LYS 29 -7.979 4.236 3.596 263 1HE LYS 29 2HE LYS 29 -10.223 4.500 5.523 264 2HE LYS 29 1HE LYS 29 -8.613 4.191 6.169 265 1HZ LYS 29 1HZ LYS 29 -9.454 6.471 4.469 266 2HZ LYS 29 2HZ LYS 29 -7.834 6.127 4.839 267 3HZ LYS 29 3HZ LYS 29 -8.919 6.527 6.076 268 H CYS 30 H CYS 30 -7.390 2.548 -0.010 269 HA CYS 30 HA CYS 30 -5.906 4.850 0.773 270 1HB CYS 30 2HB CYS 30 -5.336 2.216 0.165 271 2HB CYS 30 1HB CYS 30 -4.639 3.091 -1.188 272 H GLY 31 H GLY 31 -7.331 3.703 -2.216 273 1HA GLY 31 1HA GLY 31 -5.959 5.559 -3.910 274 2HA GLY 31 2HA GLY 31 -7.326 4.546 -4.360 275 H TRP 32 H TRP 32 -6.998 7.068 -1.892 276 HA TRP 32 HA TRP 32 -9.113 8.577 -3.273 277 1HB TRP 32 2HB TRP 32 -8.766 7.882 -0.394 278 2HB TRP 32 1HB TRP 32 -9.429 9.468 -0.776 279 HD1 TRP 32 HD TRP 32 -10.551 6.104 -0.050 280 HE1 TRP 32 1HE TRP 32 -12.954 5.691 -0.891 281 HE3 TRP 32 3HE TRP 32 -11.022 10.140 -3.157 282 HZ2 TRP 32 2HZ TRP 32 -14.796 6.920 -2.646 283 HZ3 TRP 32 3HZ TRP 32 -13.135 10.447 -4.382 284 HH2 TRP 32 HH TRP 32 -14.980 8.866 -4.134 285 H PHE 33 H PHE 33 -6.207 8.717 -3.555 286 HA PHE 33 HA PHE 33 -5.968 11.573 -3.201 287 1HB PHE 33 2HB PHE 33 -4.084 11.634 -1.852 288 2HB PHE 33 1HB PHE 33 -4.967 10.284 -1.142 289 HD1 PHE 33 1HD PHE 33 -4.326 7.920 -1.983 290 HD2 PHE 33 2HD PHE 33 -1.878 11.366 -2.487 291 HE1 PHE 33 1HE PHE 33 -2.357 6.476 -2.283 292 HE2 PHE 33 2HE PHE 33 0.094 9.926 -2.792 293 HZ PHE 33 HZ PHE 33 -0.145 7.478 -2.689 Start of MODEL 19 1 1H GLY 1 1H GLY 1 3.518 -17.377 4.253 2 2H GLY 1 2H GLY 1 3.139 -16.203 3.095 3 3H GLY 1 3H GLY 1 4.423 -15.945 4.170 4 1HA GLY 1 2HA GLY 1 4.423 -18.255 2.337 5 2HA GLY 1 1HA GLY 1 4.959 -16.675 1.786 6 H SER 2 H SER 2 6.204 -19.438 2.552 7 HA SER 2 HA SER 2 8.155 -18.698 4.538 8 1HB SER 2 2HB SER 2 8.293 -21.085 2.696 9 2HB SER 2 1HB SER 2 8.990 -20.910 4.308 10 HG SER 2 HG SER 2 6.212 -20.989 3.687 11 H ARG 3 H ARG 3 10.281 -18.190 4.231 12 HA ARG 3 HA ARG 3 12.165 -17.424 3.223 13 1HB ARG 3 2HB ARG 3 11.099 -19.183 1.207 14 2HB ARG 3 1HB ARG 3 11.807 -17.762 0.452 15 1HG ARG 3 2HG ARG 3 13.684 -18.475 2.334 16 2HG ARG 3 1HG ARG 3 13.090 -20.025 1.738 17 1HD ARG 3 2HD ARG 3 14.289 -17.769 0.151 18 2HD ARG 3 1HD ARG 3 14.933 -19.396 0.367 19 HE ARG 3 HE ARG 3 12.916 -20.157 -0.923 20 1HH1 ARG 3 2HH1 ARG 3 14.224 -16.920 -1.315 21 2HH1 ARG 3 1HH1 ARG 3 13.577 -16.721 -2.922 22 1HH2 ARG 3 2HH2 ARG 3 12.039 -19.872 -3.019 23 2HH2 ARG 3 1HH2 ARG 3 12.350 -18.399 -3.887 24 H LEU 4 H LEU 4 9.728 -16.907 0.691 25 HA LEU 4 HA LEU 4 10.096 -14.004 1.039 26 1HB LEU 4 2HB LEU 4 8.701 -15.193 -1.324 27 2HB LEU 4 1HB LEU 4 9.543 -13.661 -1.192 28 HG LEU 4 HG LEU 4 11.311 -15.962 -0.844 29 1HD1 LEU 4 1HD1 LEU 4 11.065 -17.048 -2.810 30 2HD1 LEU 4 2HD1 LEU 4 9.391 -16.522 -2.629 31 3HD1 LEU 4 3HD1 LEU 4 10.496 -15.612 -3.660 32 1HD2 LEU 4 1HD2 LEU 4 11.445 -13.799 -2.920 33 2HD2 LEU 4 2HD2 LEU 4 11.842 -13.485 -1.232 34 3HD2 LEU 4 3HD2 LEU 4 12.765 -14.676 -2.146 35 HA PRO 5 HA PRO 5 6.197 -13.962 3.118 36 1HB PRO 5 2HB PRO 5 5.998 -11.270 1.877 37 2HB PRO 5 1HB PRO 5 5.806 -11.744 3.565 38 1HG PRO 5 2HG PRO 5 8.020 -10.525 2.742 39 2HG PRO 5 1HG PRO 5 8.086 -11.831 3.939 40 1HD PRO 5 2HD PRO 5 8.802 -11.870 1.046 41 2HD PRO 5 1HD PRO 5 9.537 -12.745 2.405 42 H LYS 6 H LYS 6 6.406 -12.726 -0.188 43 HA LYS 6 HA LYS 6 4.998 -12.776 -1.954 44 1HB LYS 6 2HB LYS 6 4.977 -15.388 -0.766 45 2HB LYS 6 1HB LYS 6 3.389 -15.047 -1.441 46 1HG LYS 6 2HG LYS 6 4.843 -16.180 -3.037 47 2HG LYS 6 1HG LYS 6 4.379 -14.575 -3.603 48 1HD LYS 6 2HD LYS 6 6.500 -13.703 -3.245 49 2HD LYS 6 1HD LYS 6 6.936 -14.971 -2.098 50 1HE LYS 6 2HE LYS 6 8.149 -15.400 -4.089 51 2HE LYS 6 1HE LYS 6 6.850 -16.592 -4.020 52 1HZ LYS 6 1HZ LYS 6 6.791 -15.849 -6.193 53 2HZ LYS 6 2HZ LYS 6 7.110 -14.235 -5.779 54 3HZ LYS 6 3HZ LYS 6 5.587 -14.907 -5.462 55 H LEU 7 H LEU 7 4.121 -10.911 -0.581 56 HA LEU 7 HA LEU 7 1.276 -11.393 0.026 57 1HB LEU 7 2HB LEU 7 3.259 -9.389 1.016 58 2HB LEU 7 1HB LEU 7 1.576 -8.941 0.956 59 HG LEU 7 HG LEU 7 1.168 -9.965 2.879 60 1HD1 LEU 7 1HD1 LEU 7 1.125 -12.237 3.125 61 2HD1 LEU 7 2HD1 LEU 7 1.225 -12.117 1.369 62 3HD1 LEU 7 3HD1 LEU 7 2.671 -12.468 2.313 63 1HD2 LEU 7 1HD2 LEU 7 3.996 -10.910 3.092 64 2HD2 LEU 7 2HD2 LEU 7 3.593 -9.191 3.163 65 3HD2 LEU 7 3HD2 LEU 7 2.917 -10.305 4.348 66 H TYR 8 H TYR 8 0.326 -8.839 -0.235 67 HA TYR 8 HA TYR 8 0.725 -8.257 -3.098 68 1HB TYR 8 2HB TYR 8 -1.849 -7.556 -1.768 69 2HB TYR 8 1HB TYR 8 -1.544 -8.054 -3.433 70 HD1 TYR 8 1HD TYR 8 -1.943 -9.245 0.022 71 HD2 TYR 8 2HD TYR 8 -1.681 -10.356 -4.068 72 HE1 TYR 8 1HE TYR 8 -2.631 -11.514 0.613 73 HE2 TYR 8 2HE TYR 8 -2.385 -12.642 -3.498 74 HH TYR 8 HH TYR 8 -2.706 -14.106 -1.806 75 H LEU 9 H LEU 9 1.296 -6.237 -3.561 76 HA LEU 9 HA LEU 9 1.691 -4.432 -1.325 77 1HB LEU 9 2HB LEU 9 3.486 -5.012 -2.977 78 2HB LEU 9 1HB LEU 9 2.585 -4.124 -4.189 79 HG LEU 9 HG LEU 9 2.872 -2.052 -2.913 80 1HD1 LEU 9 1HD1 LEU 9 4.867 -3.261 -1.098 81 2HD1 LEU 9 2HD1 LEU 9 3.749 -1.921 -0.832 82 3HD1 LEU 9 3HD1 LEU 9 3.172 -3.584 -0.727 83 1HD2 LEU 9 1HD2 LEU 9 5.189 -3.685 -3.803 84 2HD2 LEU 9 2HD2 LEU 9 4.562 -2.157 -4.434 85 3HD2 LEU 9 3HD2 LEU 9 5.521 -2.174 -2.953 86 H CYS 10 H CYS 10 0.973 -2.346 -1.187 87 HA CYS 10 HA CYS 10 -1.420 -1.642 -2.603 88 1HB CYS 10 2HB CYS 10 -1.317 -1.067 -0.262 89 2HB CYS 10 1HB CYS 10 0.233 -0.288 -0.461 90 H GLU 11 H GLU 11 -1.233 0.895 -3.134 91 HA GLU 11 HA GLU 11 1.096 1.276 -4.885 92 1HB GLU 11 2HB GLU 11 -1.792 1.273 -5.623 93 2HB GLU 11 1HB GLU 11 -0.728 2.413 -6.435 94 1HG GLU 11 2HG GLU 11 0.521 -0.138 -6.425 95 2HG GLU 11 1HG GLU 11 -1.135 -0.316 -7.004 96 H PHE 12 H PHE 12 -0.903 2.450 -2.499 97 HA PHE 12 HA PHE 12 -0.291 5.248 -3.174 98 1HB PHE 12 2HB PHE 12 -2.469 4.200 -1.355 99 2HB PHE 12 1HB PHE 12 -2.215 5.878 -1.827 100 HD1 PHE 12 1HD PHE 12 -3.775 2.772 -2.678 101 HD2 PHE 12 2HD PHE 12 -2.435 6.485 -4.276 102 HE1 PHE 12 1HE PHE 12 -5.219 2.446 -4.642 103 HE2 PHE 12 2HE PHE 12 -3.867 6.154 -6.250 104 HZ PHE 12 HZ PHE 12 -5.265 4.137 -6.430 105 H CYS 13 H CYS 13 -0.276 2.874 -0.541 106 HA CYS 13 HA CYS 13 1.559 4.687 0.877 107 1HB CYS 13 2HB CYS 13 0.875 3.787 2.992 108 2HB CYS 13 1HB CYS 13 -0.564 4.296 2.120 109 H LEU 14 H LEU 14 1.176 1.778 -0.725 110 HA LEU 14 HA LEU 14 2.518 0.026 -1.183 111 1HB LEU 14 2HB LEU 14 4.655 1.909 -0.198 112 2HB LEU 14 1HB LEU 14 4.949 0.432 -1.097 113 HG LEU 14 HG LEU 14 3.164 2.497 -2.300 114 1HD1 LEU 14 1HD1 LEU 14 5.428 3.296 -3.379 115 2HD1 LEU 14 2HD1 LEU 14 4.828 3.996 -1.876 116 3HD1 LEU 14 3HD1 LEU 14 6.087 2.762 -1.831 117 1HD2 LEU 14 1HD2 LEU 14 3.244 0.849 -3.816 118 2HD2 LEU 14 2HD2 LEU 14 4.820 1.527 -4.226 119 3HD2 LEU 14 3HD2 LEU 14 4.710 0.150 -3.128 120 H LYS 15 H LYS 15 1.326 -0.849 0.745 121 HA LYS 15 HA LYS 15 3.319 -1.932 2.607 122 1HB LYS 15 2HB LYS 15 0.487 -1.070 3.143 123 2HB LYS 15 1HB LYS 15 1.195 -2.381 4.076 124 1HG LYS 15 2HG LYS 15 3.025 -0.191 4.004 125 2HG LYS 15 1HG LYS 15 1.436 0.384 4.512 126 1HD LYS 15 2HD LYS 15 2.780 -2.029 5.712 127 2HD LYS 15 1HD LYS 15 2.962 -0.399 6.362 128 1HE LYS 15 2HE LYS 15 1.075 -0.659 7.500 129 2HE LYS 15 1HE LYS 15 0.200 -0.843 5.980 130 1HZ LYS 15 1HZ LYS 15 0.309 -3.134 6.091 131 2HZ LYS 15 2HZ LYS 15 0.069 -2.714 7.712 132 3HZ LYS 15 3HZ LYS 15 1.617 -3.140 7.170 133 H TYR 16 H TYR 16 2.798 -4.182 3.249 134 HA TYR 16 HA TYR 16 1.685 -5.585 0.927 135 1HB TYR 16 2HB TYR 16 3.584 -6.442 3.109 136 2HB TYR 16 1HB TYR 16 2.895 -7.568 1.945 137 HD1 TYR 16 1HD TYR 16 3.318 -7.092 -0.551 138 HD2 TYR 16 2HD TYR 16 5.526 -5.252 2.590 139 HE1 TYR 16 1HE TYR 16 5.137 -6.566 -2.135 140 HE2 TYR 16 2HE TYR 16 7.337 -4.725 1.018 141 HH TYR 16 HH TYR 16 7.282 -4.426 -1.846 142 H MET 17 H MET 17 -0.172 -6.647 1.037 143 HA MET 17 HA MET 17 -1.496 -6.887 3.640 144 1HB MET 17 2HB MET 17 -2.665 -7.542 0.940 145 2HB MET 17 1HB MET 17 -3.530 -7.269 2.442 146 1HG MET 17 2HG MET 17 -2.242 -5.300 0.610 147 2HG MET 17 1HG MET 17 -3.875 -5.329 1.260 148 1HE MET 17 1HE MET 17 -2.485 -2.794 1.043 149 2HE MET 17 2HE MET 17 -1.766 -2.094 2.493 150 3HE MET 17 3HE MET 17 -0.809 -3.160 1.462 151 H LYS 18 H LYS 18 -2.185 -8.827 4.501 152 HA LYS 18 HA LYS 18 -0.662 -11.129 3.612 153 1HB LYS 18 2HB LYS 18 -2.273 -10.441 6.029 154 2HB LYS 18 1HB LYS 18 -1.947 -12.134 5.683 155 1HG LYS 18 2HG LYS 18 -0.104 -11.772 6.899 156 2HG LYS 18 1HG LYS 18 0.525 -11.090 5.397 157 1HD LYS 18 2HD LYS 18 -1.001 -9.119 6.831 158 2HD LYS 18 1HD LYS 18 0.248 -9.804 7.873 159 1HE LYS 18 2HE LYS 18 1.448 -9.374 5.368 160 2HE LYS 18 1HE LYS 18 0.501 -7.929 5.716 161 1HZ LYS 18 1HZ LYS 18 2.672 -7.638 6.608 162 2HZ LYS 18 2HZ LYS 18 2.618 -9.130 7.411 163 3HZ LYS 18 3HZ LYS 18 1.612 -7.865 7.915 164 H SER 19 H SER 19 -3.924 -9.985 3.408 165 HA SER 19 HA SER 19 -4.638 -12.498 2.062 166 1HB SER 19 2HB SER 19 -6.702 -10.836 3.494 167 2HB SER 19 1HB SER 19 -6.803 -12.519 2.980 168 HG SER 19 HG SER 19 -5.256 -13.035 4.588 169 H ARG 20 H ARG 20 -5.798 -12.304 0.160 170 HA ARG 20 HA ARG 20 -5.296 -9.965 -1.314 171 1HB ARG 20 2HB ARG 20 -5.763 -12.486 -2.022 172 2HB ARG 20 1HB ARG 20 -7.386 -11.852 -2.263 173 1HG ARG 20 2HG ARG 20 -6.457 -10.116 -3.743 174 2HG ARG 20 1HG ARG 20 -4.860 -10.842 -3.548 175 1HD ARG 20 2HD ARG 20 -5.521 -11.848 -5.487 176 2HD ARG 20 1HD ARG 20 -6.133 -13.015 -4.317 177 HE ARG 20 HE ARG 20 -8.332 -12.005 -4.588 178 1HH1 ARG 20 2HH1 ARG 20 -5.920 -11.128 -6.981 179 2HH1 ARG 20 1HH1 ARG 20 -7.091 -10.847 -8.241 180 1HH2 ARG 20 2HH2 ARG 20 -9.869 -11.614 -6.237 181 2HH2 ARG 20 1HH2 ARG 20 -9.333 -11.064 -7.799 182 H THR 21 H THR 21 -8.184 -11.104 0.337 183 HA THR 21 HA THR 21 -10.040 -9.291 -0.743 184 HB THR 21 HB THR 21 -11.076 -9.608 1.676 185 HG1 THR 21 1HG THR 21 -9.984 -12.027 1.922 186 1HG2 THR 21 1HG2 THR 21 -10.824 -11.999 -0.138 187 2HG2 THR 21 2HG2 THR 21 -11.808 -10.592 -0.544 188 3HG2 THR 21 3HG2 THR 21 -12.186 -11.550 0.887 189 H ILE 22 H ILE 22 -7.689 -9.000 1.830 190 HA ILE 22 HA ILE 22 -8.558 -6.514 2.871 191 HB ILE 22 HB ILE 22 -5.920 -7.970 2.955 192 1HG1 ILE 22 2HG1 ILE 22 -7.675 -7.255 5.282 193 1HG2 ILE 22 1HG2 ILE 22 -6.175 -5.798 4.861 194 2HG2 ILE 22 2HG2 ILE 22 -4.826 -6.231 3.804 195 3HG2 ILE 22 3HG2 ILE 22 -6.146 -5.236 3.188 196 1HD1 ILE 22 1HD1 ILE 22 -5.368 -8.260 5.570 197 2HD1 ILE 22 2HD1 ILE 22 -6.707 -9.081 6.374 198 3HD1 ILE 22 3HD1 ILE 22 -6.044 -9.734 4.875 199 H LEU 23 H LEU 23 -6.016 -7.432 0.556 200 HA LEU 23 HA LEU 23 -5.145 -4.855 -0.109 201 1HB LEU 23 2HB LEU 23 -4.296 -7.283 -0.752 202 2HB LEU 23 1HB LEU 23 -5.229 -6.979 -2.204 203 HG LEU 23 HG LEU 23 -2.581 -6.252 -1.709 204 1HD1 LEU 23 1HD1 LEU 23 -2.681 -5.307 -3.915 205 2HD1 LEU 23 2HD1 LEU 23 -3.619 -6.797 -3.856 206 3HD1 LEU 23 3HD1 LEU 23 -4.440 -5.234 -3.839 207 1HD2 LEU 23 1HD2 LEU 23 -2.773 -3.747 -2.152 208 2HD2 LEU 23 2HD2 LEU 23 -4.409 -3.884 -1.505 209 3HD2 LEU 23 3HD2 LEU 23 -3.025 -4.312 -0.498 210 H GLN 24 H GLN 24 -7.720 -6.837 -1.524 211 HA GLN 24 HA GLN 24 -8.356 -5.199 -3.685 212 1HB GLN 24 2HB GLN 24 -9.937 -7.175 -2.068 213 2HB GLN 24 1HB GLN 24 -10.716 -6.239 -3.335 214 1HG GLN 24 2HG GLN 24 -8.890 -7.088 -4.877 215 2HG GLN 24 1HG GLN 24 -8.493 -8.231 -3.599 216 1HE2 GLN 24 1HE2 GLN 24 -10.070 -7.967 -6.399 217 2HE2 GLN 24 2HE2 GLN 24 -11.322 -9.144 -6.175 218 H GLN 25 H GLN 25 -9.760 -5.233 -0.411 219 HA GLN 25 HA GLN 25 -11.455 -2.986 -0.876 220 1HB GLN 25 2HB GLN 25 -10.555 -4.477 1.561 221 2HB GLN 25 1HB GLN 25 -11.442 -2.968 1.725 222 1HG GLN 25 2HG GLN 25 -13.346 -3.850 0.680 223 2HG GLN 25 1HG GLN 25 -12.464 -5.246 0.071 224 1HE2 GLN 25 1HE2 GLN 25 -11.395 -6.551 1.881 225 2HE2 GLN 25 2HE2 GLN 25 -12.389 -6.881 3.258 226 H HIS 26 H HIS 26 -8.228 -3.413 0.439 227 HA HIS 26 HA HIS 26 -7.849 -0.903 1.569 228 1HB HIS 26 2HB HIS 26 -6.318 -2.810 1.902 229 2HB HIS 26 1HB HIS 26 -5.776 -2.660 0.234 230 HD1 HIS 26 1HD HIS 26 -5.290 -1.205 3.632 231 HD2 HIS 26 2HD HIS 26 -4.195 -0.368 -0.314 232 HE1 HIS 26 1HE HIS 26 -3.526 0.635 3.730 233 H MET 27 H MET 27 -7.337 -1.979 -1.758 234 HA MET 27 HA MET 27 -6.054 0.370 -2.630 235 1HB MET 27 2HB MET 27 -7.377 -1.932 -3.992 236 2HB MET 27 1HB MET 27 -6.947 -0.515 -4.942 237 1HG MET 27 2HG MET 27 -4.620 -0.765 -3.901 238 2HG MET 27 1HG MET 27 -5.150 -2.381 -3.437 239 1HE MET 27 1HE MET 27 -2.781 -2.141 -4.665 240 2HE MET 27 2HE MET 27 -2.726 -3.163 -6.101 241 3HE MET 27 3HE MET 27 -2.675 -1.409 -6.266 242 H LYS 28 H LYS 28 -9.348 -0.299 -1.992 243 HA LYS 28 HA LYS 28 -10.186 2.121 -3.440 244 1HB LYS 28 2HB LYS 28 -12.338 0.744 -2.073 245 2HB LYS 28 1HB LYS 28 -12.186 1.164 -3.772 246 1HG LYS 28 2HG LYS 28 -10.734 -1.196 -2.650 247 2HG LYS 28 1HG LYS 28 -12.434 -1.310 -3.108 248 1HD LYS 28 2HD LYS 28 -11.581 -0.208 -5.333 249 2HD LYS 28 1HD LYS 28 -10.029 -0.866 -4.813 250 1HE LYS 28 2HE LYS 28 -10.611 -2.890 -5.504 251 2HE LYS 28 1HE LYS 28 -12.052 -2.855 -4.489 252 1HZ LYS 28 1HZ LYS 28 -12.267 -3.096 -7.054 253 2HZ LYS 28 2HZ LYS 28 -12.063 -1.413 -7.053 254 3HZ LYS 28 3HZ LYS 28 -13.353 -2.112 -6.203 255 H LYS 29 H LYS 29 -8.724 1.629 -0.755 256 HA LYS 29 HA LYS 29 -10.434 3.394 0.870 257 1HB LYS 29 2HB LYS 29 -10.255 1.115 1.801 258 2HB LYS 29 1HB LYS 29 -8.506 1.265 1.820 259 1HG LYS 29 2HG LYS 29 -9.342 3.463 3.248 260 2HG LYS 29 1HG LYS 29 -10.479 2.202 3.725 261 1HD LYS 29 2HD LYS 29 -8.590 0.721 4.259 262 2HD LYS 29 1HD LYS 29 -7.470 2.007 3.809 263 1HE LYS 29 2HE LYS 29 -7.797 3.143 5.726 264 2HE LYS 29 1HE LYS 29 -9.518 2.764 5.778 265 1HZ LYS 29 1HZ LYS 29 -7.240 1.154 6.749 266 2HZ LYS 29 2HZ LYS 29 -8.727 0.420 6.386 267 3HZ LYS 29 3HZ LYS 29 -8.645 1.623 7.580 268 H CYS 30 H CYS 30 -7.259 2.645 -0.294 269 HA CYS 30 HA CYS 30 -5.931 4.695 1.214 270 1HB CYS 30 2HB CYS 30 -5.117 2.403 0.001 271 2HB CYS 30 1HB CYS 30 -4.601 3.594 -1.182 272 H GLY 31 H GLY 31 -7.896 4.739 -1.472 273 1HA GLY 31 1HA GLY 31 -6.553 7.112 -2.592 274 2HA GLY 31 2HA GLY 31 -7.679 6.082 -3.474 275 H TRP 32 H TRP 32 -7.696 7.939 -0.411 276 HA TRP 32 HA TRP 32 -10.192 9.200 -1.334 277 1HB TRP 32 2HB TRP 32 -9.653 7.872 1.311 278 2HB TRP 32 1HB TRP 32 -10.884 9.120 1.148 279 HD1 TRP 32 HD TRP 32 -10.696 5.559 1.229 280 HE1 TRP 32 1HE TRP 32 -12.631 4.440 -0.043 281 HE3 TRP 32 3HE TRP 32 -12.347 9.591 -1.458 282 HZ2 TRP 32 2HZ TRP 32 -14.604 5.170 -1.921 283 HZ3 TRP 32 3HZ TRP 32 -14.267 9.291 -2.967 284 HH2 TRP 32 HH TRP 32 -15.368 7.125 -3.195 285 H PHE 33 H PHE 33 -7.096 9.723 -0.505 286 HA PHE 33 HA PHE 33 -7.667 12.447 0.401 287 1HB PHE 33 2HB PHE 33 -6.104 10.377 1.837 288 2HB PHE 33 1HB PHE 33 -5.366 11.977 1.751 289 HD1 PHE 33 1HD PHE 33 -7.967 9.948 3.225 290 HD2 PHE 33 2HD PHE 33 -6.544 13.926 2.721 291 HE1 PHE 33 1HE PHE 33 -9.364 10.682 5.111 292 HE2 PHE 33 2HE PHE 33 -7.943 14.669 4.607 293 HZ PHE 33 HZ PHE 33 -9.353 13.045 5.803 Start of MODEL 20 1 1H GLY 1 1H GLY 1 6.856 -14.330 7.939 2 2H GLY 1 2H GLY 1 6.927 -13.915 6.296 3 3H GLY 1 3H GLY 1 8.021 -15.045 6.931 4 1HA GLY 1 2HA GLY 1 5.780 -16.267 7.575 5 2HA GLY 1 1HA GLY 1 5.232 -15.377 6.159 6 H SER 2 H SER 2 5.605 -18.275 6.557 7 HA SER 2 HA SER 2 7.944 -19.028 5.092 8 1HB SER 2 2HB SER 2 5.618 -20.869 5.499 9 2HB SER 2 1HB SER 2 7.345 -21.221 5.568 10 HG SER 2 HG SER 2 7.294 -20.832 7.618 11 H ARG 3 H ARG 3 4.791 -18.049 4.181 12 HA ARG 3 HA ARG 3 4.618 -19.518 1.734 13 1HB ARG 3 2HB ARG 3 2.724 -18.379 3.091 14 2HB ARG 3 1HB ARG 3 3.201 -16.917 2.242 15 1HG ARG 3 2HG ARG 3 2.214 -17.556 0.352 16 2HG ARG 3 1HG ARG 3 2.810 -19.211 0.485 17 1HD ARG 3 2HD ARG 3 0.657 -18.299 2.328 18 2HD ARG 3 1HD ARG 3 0.242 -18.674 0.657 19 HE ARG 3 HE ARG 3 1.534 -20.880 1.279 20 1HH1 ARG 3 2HH1 ARG 3 -0.732 -19.058 3.247 21 2HH1 ARG 3 1HH1 ARG 3 -1.315 -20.461 4.101 22 1HH2 ARG 3 2HH2 ARG 3 0.783 -22.723 2.425 23 2HH2 ARG 3 1HH2 ARG 3 -0.434 -22.536 3.657 24 H LEU 4 H LEU 4 4.509 -15.990 1.835 25 HA LEU 4 HA LEU 4 6.955 -15.712 0.350 26 1HB LEU 4 2HB LEU 4 5.046 -16.373 -1.288 27 2HB LEU 4 1HB LEU 4 4.493 -14.727 -1.048 28 HG LEU 4 HG LEU 4 7.070 -14.245 -1.666 29 1HD1 LEU 4 1HD1 LEU 4 7.051 -16.898 -2.064 30 2HD1 LEU 4 2HD1 LEU 4 6.532 -16.351 -3.660 31 3HD1 LEU 4 3HD1 LEU 4 8.061 -15.782 -2.986 32 1HD2 LEU 4 1HD2 LEU 4 6.288 -13.497 -3.737 33 2HD2 LEU 4 2HD2 LEU 4 5.064 -14.761 -3.834 34 3HD2 LEU 4 3HD2 LEU 4 4.871 -13.433 -2.689 35 HA PRO 5 HA PRO 5 6.524 -12.056 2.894 36 1HB PRO 5 2HB PRO 5 9.072 -11.328 1.595 37 2HB PRO 5 1HB PRO 5 8.691 -11.491 3.313 38 1HG PRO 5 2HG PRO 5 10.184 -13.317 2.077 39 2HG PRO 5 1HG PRO 5 8.983 -13.789 3.294 40 1HD PRO 5 2HD PRO 5 8.793 -13.916 0.303 41 2HD PRO 5 1HD PRO 5 8.293 -15.117 1.514 42 H LYS 6 H LYS 6 7.031 -12.175 -0.521 43 HA LYS 6 HA LYS 6 6.432 -9.373 -0.955 44 1HB LYS 6 2HB LYS 6 6.828 -11.720 -2.805 45 2HB LYS 6 1HB LYS 6 6.283 -10.153 -3.387 46 1HG LYS 6 2HG LYS 6 8.766 -10.324 -1.745 47 2HG LYS 6 1HG LYS 6 8.809 -10.780 -3.450 48 1HD LYS 6 2HD LYS 6 7.403 -8.275 -3.000 49 2HD LYS 6 1HD LYS 6 9.073 -8.225 -2.432 50 1HE LYS 6 2HE LYS 6 9.650 -7.816 -4.545 51 2HE LYS 6 1HE LYS 6 9.250 -9.502 -4.876 52 1HZ LYS 6 1HZ LYS 6 7.178 -7.403 -4.952 53 2HZ LYS 6 2HZ LYS 6 7.166 -8.931 -5.690 54 3HZ LYS 6 3HZ LYS 6 8.163 -7.697 -6.302 55 H LEU 7 H LEU 7 4.490 -9.464 0.313 56 HA LEU 7 HA LEU 7 2.283 -11.097 -0.344 57 1HB LEU 7 2HB LEU 7 2.786 -8.743 1.385 58 2HB LEU 7 1HB LEU 7 1.123 -9.026 0.927 59 HG LEU 7 HG LEU 7 1.530 -9.999 3.079 60 1HD1 LEU 7 1HD1 LEU 7 1.497 -12.576 1.908 61 2HD1 LEU 7 2HD1 LEU 7 0.138 -11.623 2.505 62 3HD1 LEU 7 3HD1 LEU 7 0.644 -11.481 0.820 63 1HD2 LEU 7 1HD2 LEU 7 3.159 -11.942 3.228 64 2HD2 LEU 7 2HD2 LEU 7 3.841 -11.342 1.715 65 3HD2 LEU 7 3HD2 LEU 7 3.850 -10.321 3.154 66 H TYR 8 H TYR 8 0.191 -9.224 -0.297 67 HA TYR 8 HA TYR 8 0.169 -8.360 -3.076 68 1HB TYR 8 2HB TYR 8 -2.058 -8.010 -1.068 69 2HB TYR 8 1HB TYR 8 -2.176 -8.076 -2.829 70 HD1 TYR 8 1HD TYR 8 -1.628 -10.080 0.217 71 HD2 TYR 8 2HD TYR 8 -2.316 -10.171 -3.980 72 HE1 TYR 8 1HE TYR 8 -2.029 -12.492 0.346 73 HE2 TYR 8 2HE TYR 8 -2.734 -12.593 -3.859 74 HH TYR 8 HH TYR 8 -2.939 -14.361 -2.535 75 H LEU 9 H LEU 9 1.352 -6.590 -3.310 76 HA LEU 9 HA LEU 9 1.588 -4.659 -1.224 77 1HB LEU 9 2HB LEU 9 3.435 -5.335 -2.770 78 2HB LEU 9 1HB LEU 9 2.609 -4.474 -4.055 79 HG LEU 9 HG LEU 9 2.878 -2.363 -2.831 80 1HD1 LEU 9 1HD1 LEU 9 3.873 -4.206 -0.740 81 2HD1 LEU 9 2HD1 LEU 9 4.685 -2.649 -0.906 82 3HD1 LEU 9 3HD1 LEU 9 2.950 -2.711 -0.592 83 1HD2 LEU 9 1HD2 LEU 9 5.073 -2.025 -3.430 84 2HD2 LEU 9 2HD2 LEU 9 5.589 -3.608 -2.837 85 3HD2 LEU 9 3HD2 LEU 9 4.686 -3.483 -4.351 86 H CYS 10 H CYS 10 0.924 -2.574 -1.159 87 HA CYS 10 HA CYS 10 -1.321 -1.825 -2.800 88 1HB CYS 10 2HB CYS 10 -1.587 -1.418 -0.460 89 2HB CYS 10 1HB CYS 10 -0.006 -0.670 -0.340 90 H GLU 11 H GLU 11 -1.284 0.345 -3.678 91 HA GLU 11 HA GLU 11 1.334 0.949 -4.871 92 1HB GLU 11 2HB GLU 11 -1.387 1.617 -6.005 93 2HB GLU 11 1HB GLU 11 0.165 1.776 -6.816 94 1HG GLU 11 2HG GLU 11 -0.450 -0.921 -5.846 95 2HG GLU 11 1HG GLU 11 -1.525 -0.316 -7.106 96 H PHE 12 H PHE 12 -0.976 2.116 -2.745 97 HA PHE 12 HA PHE 12 -0.383 4.920 -3.357 98 1HB PHE 12 2HB PHE 12 -2.422 3.809 -1.423 99 2HB PHE 12 1HB PHE 12 -2.288 5.476 -1.975 100 HD1 PHE 12 1HD PHE 12 -3.525 2.160 -2.725 101 HD2 PHE 12 2HD PHE 12 -2.857 6.051 -4.315 102 HE1 PHE 12 1HE PHE 12 -5.049 1.654 -4.590 103 HE2 PHE 12 2HE PHE 12 -4.377 5.550 -6.181 104 HZ PHE 12 HZ PHE 12 -5.475 3.350 -6.321 105 H CYS 13 H CYS 13 -0.320 2.639 -0.630 106 HA CYS 13 HA CYS 13 1.512 4.514 0.712 107 1HB CYS 13 2HB CYS 13 0.850 3.614 2.837 108 2HB CYS 13 1HB CYS 13 -0.610 4.040 1.953 109 H LEU 14 H LEU 14 1.145 1.510 -0.758 110 HA LEU 14 HA LEU 14 2.539 -0.192 -1.231 111 1HB LEU 14 2HB LEU 14 4.670 1.646 -0.153 112 2HB LEU 14 1HB LEU 14 4.958 0.183 -1.078 113 HG LEU 14 HG LEU 14 3.182 2.124 -2.388 114 1HD1 LEU 14 1HD1 LEU 14 4.583 3.866 -2.653 115 2HD1 LEU 14 2HD1 LEU 14 5.199 3.320 -1.092 116 3HD1 LEU 14 3HD1 LEU 14 6.029 2.856 -2.579 117 1HD2 LEU 14 1HD2 LEU 14 4.721 1.574 -4.287 118 2HD2 LEU 14 2HD2 LEU 14 5.575 0.486 -3.192 119 3HD2 LEU 14 3HD2 LEU 14 3.881 0.191 -3.585 120 H LYS 15 H LYS 15 1.156 -0.590 0.997 121 HA LYS 15 HA LYS 15 3.065 -1.832 2.864 122 1HB LYS 15 2HB LYS 15 0.175 -1.029 3.157 123 2HB LYS 15 1HB LYS 15 0.906 -2.209 4.236 124 1HG LYS 15 2HG LYS 15 2.504 0.201 3.968 125 2HG LYS 15 1HG LYS 15 0.882 0.516 4.580 126 1HD LYS 15 2HD LYS 15 1.259 -1.282 6.276 127 2HD LYS 15 1HD LYS 15 2.933 -1.375 5.724 128 1HE LYS 15 2HE LYS 15 1.598 1.100 6.817 129 2HE LYS 15 1HE LYS 15 2.662 0.034 7.735 130 1HZ LYS 15 1HZ LYS 15 4.428 0.529 6.114 131 2HZ LYS 15 2HZ LYS 15 3.899 1.911 6.940 132 3HZ LYS 15 3HZ LYS 15 3.400 1.640 5.344 133 H TYR 16 H TYR 16 2.841 -4.075 3.305 134 HA TYR 16 HA TYR 16 1.718 -5.529 1.061 135 1HB TYR 16 2HB TYR 16 3.587 -6.241 3.307 136 2HB TYR 16 1HB TYR 16 2.851 -7.494 2.313 137 HD1 TYR 16 1HD TYR 16 5.634 -5.387 2.655 138 HD2 TYR 16 2HD TYR 16 3.099 -7.104 -0.300 139 HE1 TYR 16 1HE TYR 16 7.397 -5.079 0.970 140 HE2 TYR 16 2HE TYR 16 4.864 -6.808 -1.991 141 HH TYR 16 HH TYR 16 6.865 -5.924 -2.439 142 H MET 17 H MET 17 -0.339 -6.092 1.157 143 HA MET 17 HA MET 17 -1.640 -6.547 3.710 144 1HB MET 17 2HB MET 17 -2.639 -6.525 0.879 145 2HB MET 17 1HB MET 17 -3.662 -6.956 2.234 146 1HG MET 17 2HG MET 17 -2.259 -4.330 1.825 147 2HG MET 17 1HG MET 17 -3.978 -4.640 1.615 148 1HE MET 17 1HE MET 17 -1.270 -3.504 3.475 149 2HE MET 17 2HE MET 17 -2.417 -2.362 4.176 150 3HE MET 17 3HE MET 17 -1.621 -3.558 5.202 151 H LYS 18 H LYS 18 -2.244 -8.472 4.516 152 HA LYS 18 HA LYS 18 -0.736 -10.696 3.559 153 1HB LYS 18 2HB LYS 18 -2.750 -10.640 5.809 154 2HB LYS 18 1HB LYS 18 -1.486 -11.837 5.559 155 1HG LYS 18 2HG LYS 18 -0.268 -9.273 5.642 156 2HG LYS 18 1HG LYS 18 -1.360 -9.415 7.020 157 1HD LYS 18 2HD LYS 18 0.541 -10.340 7.905 158 2HD LYS 18 1HD LYS 18 -0.235 -11.782 7.249 159 1HE LYS 18 2HE LYS 18 1.144 -11.640 5.252 160 2HE LYS 18 1HE LYS 18 1.877 -10.149 5.843 161 1HZ LYS 18 1HZ LYS 18 3.430 -11.510 6.650 162 2HZ LYS 18 2HZ LYS 18 2.447 -12.889 6.545 163 3HZ LYS 18 3HZ LYS 18 2.314 -11.854 7.881 164 H SER 19 H SER 19 -3.797 -9.640 2.731 165 HA SER 19 HA SER 19 -4.355 -12.205 1.476 166 1HB SER 19 2HB SER 19 -6.540 -10.792 3.009 167 2HB SER 19 1HB SER 19 -6.587 -12.401 2.286 168 HG SER 19 HG SER 19 -4.591 -12.538 3.899 169 H ARG 20 H ARG 20 -5.578 -12.065 -0.397 170 HA ARG 20 HA ARG 20 -5.395 -9.639 -1.832 171 1HB ARG 20 2HB ARG 20 -5.606 -12.171 -2.600 172 2HB ARG 20 1HB ARG 20 -7.313 -11.755 -2.686 173 1HG ARG 20 2HG ARG 20 -6.485 -9.722 -4.065 174 2HG ARG 20 1HG ARG 20 -5.025 -10.690 -4.276 175 1HD ARG 20 2HD ARG 20 -6.747 -10.932 -6.089 176 2HD ARG 20 1HD ARG 20 -6.230 -12.438 -5.331 177 HE ARG 20 HE ARG 20 -8.328 -12.643 -4.319 178 1HH1 ARG 20 2HH1 ARG 20 -8.100 -9.740 -6.280 179 2HH1 ARG 20 1HH1 ARG 20 -9.821 -9.477 -6.306 180 1HH2 ARG 20 2HH2 ARG 20 -10.578 -12.258 -4.296 181 2HH2 ARG 20 1HH2 ARG 20 -11.224 -10.876 -5.138 182 H THR 21 H THR 21 -8.047 -11.244 -0.167 183 HA THR 21 HA THR 21 -10.166 -9.598 -0.929 184 HB THR 21 HB THR 21 -10.692 -10.294 1.696 185 HG1 THR 21 1HG THR 21 -9.540 -12.040 2.184 186 1HG2 THR 21 1HG2 THR 21 -12.046 -10.687 -0.390 187 2HG2 THR 21 2HG2 THR 21 -12.049 -12.027 0.759 188 3HG2 THR 21 3HG2 THR 21 -11.041 -12.107 -0.687 189 H ILE 22 H ILE 22 -7.739 -9.265 1.598 190 HA ILE 22 HA ILE 22 -8.874 -6.941 2.793 191 HB ILE 22 HB ILE 22 -6.205 -8.307 3.002 192 1HG1 ILE 22 2HG1 ILE 22 -8.165 -7.672 5.199 193 1HG2 ILE 22 1HG2 ILE 22 -5.345 -6.250 3.373 194 2HG2 ILE 22 2HG2 ILE 22 -6.906 -5.559 3.825 195 3HG2 ILE 22 3HG2 ILE 22 -6.005 -6.536 4.985 196 1HD1 ILE 22 1HD1 ILE 22 -6.814 -8.858 6.479 197 2HD1 ILE 22 2HD1 ILE 22 -6.960 -10.235 5.387 198 3HD1 ILE 22 3HD1 ILE 22 -5.698 -9.033 5.121 199 H LEU 23 H LEU 23 -6.229 -7.530 0.495 200 HA LEU 23 HA LEU 23 -5.391 -4.875 0.173 201 1HB LEU 23 2HB LEU 23 -4.455 -7.203 -0.678 202 2HB LEU 23 1HB LEU 23 -5.328 -6.765 -2.129 203 HG LEU 23 HG LEU 23 -2.721 -6.001 -1.365 204 1HD1 LEU 23 1HD1 LEU 23 -4.545 -5.336 -3.644 205 2HD1 LEU 23 2HD1 LEU 23 -2.882 -4.757 -3.566 206 3HD1 LEU 23 3HD1 LEU 23 -3.213 -6.489 -3.593 207 1HD2 LEU 23 1HD2 LEU 23 -3.733 -4.132 -0.118 208 2HD2 LEU 23 2HD2 LEU 23 -2.776 -3.590 -1.497 209 3HD2 LEU 23 3HD2 LEU 23 -4.538 -3.603 -1.596 210 H GLN 24 H GLN 24 -7.929 -6.721 -1.439 211 HA GLN 24 HA GLN 24 -8.549 -4.896 -3.474 212 1HB GLN 24 2HB GLN 24 -9.981 -7.124 -2.122 213 2HB GLN 24 1HB GLN 24 -10.939 -6.007 -3.083 214 1HG GLN 24 2HG GLN 24 -8.531 -7.495 -4.100 215 2HG GLN 24 1HG GLN 24 -10.200 -8.021 -4.310 216 1HE2 GLN 24 1HE2 GLN 24 -7.756 -6.638 -5.889 217 2HE2 GLN 24 2HE2 GLN 24 -8.624 -5.631 -6.995 218 H GLN 25 H GLN 25 -9.783 -5.168 -0.166 219 HA GLN 25 HA GLN 25 -11.545 -2.916 -0.413 220 1HB GLN 25 2HB GLN 25 -10.489 -4.448 1.966 221 2HB GLN 25 1HB GLN 25 -11.590 -3.086 2.120 222 1HG GLN 25 2HG GLN 25 -13.342 -4.237 1.083 223 2HG GLN 25 1HG GLN 25 -12.259 -5.467 0.426 224 1HE2 GLN 25 1HE2 GLN 25 -11.426 -7.060 1.829 225 2HE2 GLN 25 2HE2 GLN 25 -12.193 -7.416 3.340 226 H HIS 26 H HIS 26 -8.313 -3.512 0.817 227 HA HIS 26 HA HIS 26 -7.826 -1.085 2.064 228 1HB HIS 26 2HB HIS 26 -6.332 -2.972 2.371 229 2HB HIS 26 1HB HIS 26 -5.893 -2.952 0.664 230 HD1 HIS 26 1HD HIS 26 -4.986 -1.465 3.926 231 HD2 HIS 26 2HD HIS 26 -4.353 -0.646 -0.111 232 HE1 HIS 26 1HE HIS 26 -3.192 0.339 3.814 233 H MET 27 H MET 27 -6.826 -2.024 -1.243 234 HA MET 27 HA MET 27 -5.675 0.437 -1.869 235 1HB MET 27 2HB MET 27 -6.600 -1.903 -3.441 236 2HB MET 27 1HB MET 27 -6.328 -0.408 -4.325 237 1HG MET 27 2HG MET 27 -4.095 -0.645 -2.716 238 2HG MET 27 1HG MET 27 -4.425 -2.296 -3.235 239 1HE MET 27 1HE MET 27 -2.012 -2.329 -5.633 240 2HE MET 27 2HE MET 27 -3.186 -3.137 -4.591 241 3HE MET 27 3HE MET 27 -3.536 -2.912 -6.304 242 H LYS 28 H LYS 28 -8.980 -0.534 -1.881 243 HA LYS 28 HA LYS 28 -9.946 1.556 -3.575 244 1HB LYS 28 2HB LYS 28 -11.091 -0.600 -1.941 245 2HB LYS 28 1HB LYS 28 -12.088 0.845 -2.035 246 1HG LYS 28 2HG LYS 28 -12.685 -0.758 -3.767 247 2HG LYS 28 1HG LYS 28 -12.057 0.736 -4.465 248 1HD LYS 28 2HD LYS 28 -9.870 -1.035 -4.038 249 2HD LYS 28 1HD LYS 28 -11.150 -1.927 -4.866 250 1HE LYS 28 2HE LYS 28 -11.270 0.148 -6.405 251 2HE LYS 28 1HE LYS 28 -9.679 0.530 -5.746 252 1HZ LYS 28 1HZ LYS 28 -10.418 -1.997 -7.128 253 2HZ LYS 28 2HZ LYS 28 -8.885 -1.621 -6.507 254 3HZ LYS 28 3HZ LYS 28 -9.517 -0.728 -7.803 255 H LYS 29 H LYS 29 -9.179 1.269 -0.189 256 HA LYS 29 HA LYS 29 -10.483 3.796 0.414 257 1HB LYS 29 2HB LYS 29 -10.676 2.985 2.473 258 2HB LYS 29 1HB LYS 29 -9.937 1.496 1.908 259 1HG LYS 29 2HG LYS 29 -7.852 3.336 2.428 260 2HG LYS 29 1HG LYS 29 -8.960 3.365 3.801 261 1HD LYS 29 2HD LYS 29 -8.737 0.682 3.196 262 2HD LYS 29 1HD LYS 29 -7.106 1.300 2.949 263 1HE LYS 29 2HE LYS 29 -8.081 0.506 5.339 264 2HE LYS 29 1HE LYS 29 -6.777 1.675 5.137 265 1HZ LYS 29 1HZ LYS 29 -8.573 3.426 5.159 266 2HZ LYS 29 2HZ LYS 29 -8.306 2.627 6.627 267 3HZ LYS 29 3HZ LYS 29 -9.645 2.214 5.674 268 H CYS 30 H CYS 30 -7.296 2.460 -0.044 269 HA CYS 30 HA CYS 30 -5.842 4.707 0.905 270 1HB CYS 30 2HB CYS 30 -5.221 2.151 0.095 271 2HB CYS 30 1HB CYS 30 -4.551 3.134 -1.195 272 H GLY 31 H GLY 31 -7.486 3.996 -2.041 273 1HA GLY 31 1HA GLY 31 -6.137 5.832 -3.745 274 2HA GLY 31 2HA GLY 31 -7.762 5.192 -3.988 275 H TRP 32 H TRP 32 -8.378 6.232 -1.174 276 HA TRP 32 HA TRP 32 -9.237 8.865 -2.039 277 1HB TRP 32 2HB TRP 32 -9.768 7.344 0.523 278 2HB TRP 32 1HB TRP 32 -10.505 8.884 0.083 279 HD1 TRP 32 HD TRP 32 -11.507 5.501 0.210 280 HE1 TRP 32 1HE TRP 32 -13.249 4.886 -1.582 281 HE3 TRP 32 3HE TRP 32 -10.905 9.513 -2.900 282 HZ2 TRP 32 2HZ TRP 32 -14.238 5.979 -3.983 283 HZ3 TRP 32 3HZ TRP 32 -12.296 9.654 -4.927 284 HH2 TRP 32 HH TRP 32 -13.933 7.916 -5.456 285 H PHE 33 H PHE 33 -6.657 7.476 -0.383 286 HA PHE 33 HA PHE 33 -4.894 8.248 0.813 287 1HB PHE 33 2HB PHE 33 -5.653 10.452 -1.019 288 2HB PHE 33 1HB PHE 33 -4.526 10.860 0.277 289 HD1 PHE 33 1HD PHE 33 -5.023 8.926 -2.781 290 HD2 PHE 33 2HD PHE 33 -2.307 9.908 0.342 291 HE1 PHE 33 1HE PHE 33 -3.173 7.971 -4.097 292 HE2 PHE 33 2HE PHE 33 -0.453 8.958 -0.965 293 HZ PHE 33 HZ PHE 33 -0.884 7.985 -3.186
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