NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
4767 | 1fqq | 4642 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY 1 H GLY 1 1.884 0.000 0.829 2 1HA GLY 1 1HA GLY 1 2.119 1.013 -1.646 3 2HA GLY 1 2HA GLY 1 3.100 -0.315 -1.057 4 H ILE 2 H ILE 2 3.016 -0.688 -3.559 5 HA ILE 2 HA ILE 2 1.272 -1.331 -5.243 6 HB ILE 2 HB ILE 2 3.537 -2.943 -4.253 7 1HG1 ILE 2 1HG1 ILE 2 2.818 -1.263 -6.528 8 2HG1 ILE 2 2HG1 ILE 2 4.394 -1.650 -5.865 9 1HG2 ILE 2 1HG2 ILE 2 3.138 -4.804 -5.765 10 2HG2 ILE 2 2HG2 ILE 2 1.833 -4.689 -4.560 11 3HG2 ILE 2 3HG2 ILE 2 1.560 -4.121 -6.224 12 1HD1 ILE 2 1HD1 ILE 2 4.358 -3.852 -7.032 13 2HD1 ILE 2 2HD1 ILE 2 2.758 -3.458 -7.705 14 3HD1 ILE 2 3HD1 ILE 2 4.183 -2.502 -8.178 15 H GLY 3 H GLY 3 -0.837 -1.871 -5.201 16 1HA GLY 3 1HA GLY 3 -2.358 -3.736 -4.957 17 2HA GLY 3 2HA GLY 3 -1.631 -4.079 -3.400 18 H ASP 4 H ASP 4 -3.011 -1.165 -5.098 19 HA ASP 4 HA ASP 4 -4.864 -0.897 -2.916 20 1HB ASP 4 1HB ASP 4 -4.119 1.136 -2.114 21 2HB ASP 4 2HB ASP 4 -2.576 0.493 -2.640 22 HD2 ASP 4 HD2 ASP 4 -2.408 1.038 -5.177 23 HA PRO 5 HA PRO 5 -7.225 1.063 -6.080 24 1HB PRO 5 1HB PRO 5 -8.219 3.409 -5.094 25 2HB PRO 5 2HB PRO 5 -8.881 1.839 -4.682 26 1HG PRO 5 1HG PRO 5 -7.186 3.624 -3.044 27 2HG PRO 5 2HG PRO 5 -8.191 2.285 -2.527 28 1HD PRO 5 1HD PRO 5 -5.336 2.281 -2.800 29 2HD PRO 5 2HD PRO 5 -6.352 0.912 -2.395 30 H VAL 6 H VAL 6 -5.098 3.504 -4.712 31 HA VAL 6 HA VAL 6 -5.010 4.847 -7.269 32 HB VAL 6 HB VAL 6 -4.136 5.353 -4.481 33 1HG1 VAL 6 1HG1 VAL 6 -2.770 7.361 -5.556 34 2HG1 VAL 6 2HG1 VAL 6 -2.010 5.784 -5.234 35 3HG1 VAL 6 3HG1 VAL 6 -2.552 6.192 -6.880 36 1HG2 VAL 6 1HG2 VAL 6 -4.827 7.745 -5.447 37 2HG2 VAL 6 2HG2 VAL 6 -5.655 6.731 -6.653 38 3HG2 VAL 6 3HG2 VAL 6 -6.036 6.548 -4.924 39 H THR 7 H THR 7 -2.378 3.740 -5.024 40 HA THR 7 HA THR 7 -0.329 3.650 -6.748 41 HB THR 7 HB THR 7 -1.115 2.367 -4.235 42 HG1 THR 7 HG1 THR 7 0.536 4.050 -4.701 43 1HG2 THR 7 1HG2 THR 7 0.354 0.459 -4.271 44 2HG2 THR 7 2HG2 THR 7 -0.644 0.288 -5.735 45 3HG2 THR 7 3HG2 THR 7 1.020 0.910 -5.859 46 H CYS 8 H CYS 8 -3.145 1.511 -6.789 47 HA CYS 8 HA CYS 8 -2.196 -0.619 -8.168 48 1HB CYS 8 1HB CYS 8 -4.354 -1.011 -7.768 49 2HB CYS 8 2HB CYS 8 -4.781 0.688 -7.813 50 H LEU 9 H LEU 9 -3.185 2.641 -9.393 51 HA LEU 9 HA LEU 9 -2.675 1.976 -12.107 52 1HB LEU 9 1HB LEU 9 -2.644 4.804 -11.254 53 2HB LEU 9 2HB LEU 9 -3.483 4.027 -12.582 54 HG LEU 9 HG LEU 9 -4.387 3.533 -9.757 55 1HD1 LEU 9 1HD1 LEU 9 -4.772 6.045 -11.361 56 2HD1 LEU 9 2HD1 LEU 9 -6.041 5.480 -10.248 57 3HD1 LEU 9 3HD1 LEU 9 -4.412 5.843 -9.629 58 1HD2 LEU 9 1HD2 LEU 9 -6.295 2.727 -10.679 59 2HD2 LEU 9 2HD2 LEU 9 -6.253 3.863 -12.049 60 3HD2 LEU 9 3HD2 LEU 9 -5.204 2.425 -12.053 61 H LYS 10 H LYS 10 -0.772 3.163 -9.364 62 HA LYS 10 HA LYS 10 1.341 4.275 -10.806 63 1HB LYS 10 1HB LYS 10 1.246 4.822 -8.542 64 2HB LYS 10 2HB LYS 10 1.004 3.163 -8.033 65 1HG LYS 10 1HG LYS 10 3.566 3.861 -9.475 66 2HG LYS 10 2HG LYS 10 3.394 4.350 -7.801 67 1HD LYS 10 1HD LYS 10 2.716 1.905 -7.297 68 2HD LYS 10 2HD LYS 10 3.246 1.519 -8.922 69 1HE LYS 10 1HE LYS 10 5.251 1.148 -7.828 70 2HE LYS 10 2HE LYS 10 5.451 2.862 -8.131 71 1HZ LYS 10 1HZ LYS 10 4.043 2.108 -5.720 72 2HZ LYS 10 2HZ LYS 10 5.655 1.850 -5.750 73 3HZ LYS 10 3HZ LYS 10 5.065 3.355 -5.981 74 H SER 11 H SER 11 0.273 0.978 -10.394 75 HA SER 11 HA SER 11 2.876 0.047 -11.297 76 1HB SER 11 1HB SER 11 0.626 -1.175 -9.740 77 2HB SER 11 2HB SER 11 1.498 -2.250 -10.814 78 HG SER 11 HG SER 11 2.850 -0.524 -8.931 79 H GLY 12 H GLY 12 0.176 1.268 -12.646 80 1HA GLY 12 1HA GLY 12 -0.713 1.141 -14.709 81 2HA GLY 12 2HA GLY 12 0.566 0.030 -15.157 82 H ALA 13 H ALA 13 -1.273 -0.877 -12.322 83 HA ALA 13 HA ALA 13 -2.101 -3.288 -13.435 84 1HB ALA 13 1HB ALA 13 -1.817 -2.998 -11.048 85 2HB ALA 13 2HB ALA 13 -3.052 -1.716 -11.009 86 3HB ALA 13 3HB ALA 13 -3.524 -3.397 -11.357 87 H ILE 14 H ILE 14 -4.191 -4.048 -14.100 88 HA ILE 14 HA ILE 14 -5.680 -2.010 -15.481 89 HB ILE 14 HB ILE 14 -6.989 -4.019 -16.270 90 1HG1 ILE 14 1HG1 ILE 14 -5.033 -6.011 -15.725 91 2HG1 ILE 14 2HG1 ILE 14 -5.469 -5.290 -14.189 92 1HG2 ILE 14 1HG2 ILE 14 -4.075 -3.534 -16.781 93 2HG2 ILE 14 2HG2 ILE 14 -4.894 -4.900 -17.576 94 3HG2 ILE 14 3HG2 ILE 14 -5.485 -3.240 -17.827 95 1HD1 ILE 14 1HD1 ILE 14 -7.860 -5.683 -14.621 96 2HD1 ILE 14 2HD1 ILE 14 -7.485 -6.298 -16.249 97 3HD1 ILE 14 3HD1 ILE 14 -6.959 -7.206 -14.811 98 H CYS 15 H CYS 15 -8.150 -2.050 -15.351 99 HA CYS 15 HA CYS 15 -8.879 -2.329 -12.526 100 1HB CYS 15 1HB CYS 15 -9.545 -0.256 -14.576 101 2HB CYS 15 2HB CYS 15 -10.728 -0.624 -13.336 102 H HIS 16 H HIS 16 -10.171 -4.113 -12.239 103 HA HIS 16 HA HIS 16 -12.344 -4.508 -14.097 104 1HB HIS 16 1HB HIS 16 -10.025 -6.375 -13.825 105 2HB HIS 16 2HB HIS 16 -11.624 -7.073 -13.989 106 HD1 HIS 16 HD1 HIS 16 -12.881 -6.717 -16.266 107 HD2 HIS 16 HD2 HIS 16 -9.006 -5.114 -16.138 108 HE1 HIS 16 HE1 HIS 16 -12.251 -6.175 -18.679 109 HE2 HIS 16 HE2 HIS 16 -9.882 -5.144 -18.530 110 HA PRO 17 HA PRO 17 -14.037 -5.314 -10.160 111 1HB PRO 17 1HB PRO 17 -16.650 -5.547 -10.925 112 2HB PRO 17 2HB PRO 17 -15.881 -4.007 -10.598 113 1HG PRO 17 1HG PRO 17 -16.585 -5.210 -13.205 114 2HG PRO 17 2HG PRO 17 -16.221 -3.537 -12.831 115 1HD PRO 17 1HD PRO 17 -14.484 -5.428 -14.110 116 2HD PRO 17 2HD PRO 17 -14.081 -3.791 -13.631 117 H VAL 18 H VAL 18 -15.321 -6.957 -8.948 118 HA VAL 18 HA VAL 18 -15.731 -9.076 -8.470 119 HB VAL 18 HB VAL 18 -15.629 -10.076 -11.248 120 1HG1 VAL 18 1HG1 VAL 18 -16.813 -10.816 -8.826 121 2HG1 VAL 18 2HG1 VAL 18 -18.167 -10.247 -9.832 122 3HG1 VAL 18 3HG1 VAL 18 -17.101 -11.543 -10.425 123 1HG2 VAL 18 1HG2 VAL 18 -18.004 -8.887 -11.493 124 2HG2 VAL 18 2HG2 VAL 18 -17.209 -7.658 -10.480 125 3HG2 VAL 18 3HG2 VAL 18 -16.499 -8.115 -12.047 126 H PHE 19 H PHE 19 -13.786 -9.602 -11.484 127 HA PHE 19 HA PHE 19 -11.529 -10.360 -9.815 128 1HB PHE 19 1HB PHE 19 -11.469 -12.583 -10.731 129 2HB PHE 19 2HB PHE 19 -13.179 -12.331 -10.442 130 HD1 PHE 19 HD1 PHE 19 -10.818 -13.378 -12.797 131 HD2 PHE 19 HD2 PHE 19 -14.487 -11.267 -12.494 132 HE1 PHE 19 HE1 PHE 19 -11.299 -13.866 -15.212 133 HE2 PHE 19 HE2 PHE 19 -14.968 -11.755 -14.909 134 HZ PHE 19 HZ PHE 19 -13.368 -13.049 -16.239 135 H CYS 20 H CYS 20 -10.030 -11.565 -11.965 136 HA CYS 20 HA CYS 20 -10.029 -9.570 -14.060 137 1HB CYS 20 1HB CYS 20 -7.800 -8.859 -13.778 138 2HB CYS 20 2HB CYS 20 -8.599 -8.652 -12.232 139 HA PRO 21 HA PRO 21 -9.084 -13.427 -15.947 140 1HB PRO 21 1HB PRO 21 -9.286 -12.618 -18.549 141 2HB PRO 21 2HB PRO 21 -10.666 -13.117 -17.590 142 1HG PRO 21 1HG PRO 21 -9.852 -10.389 -18.386 143 2HG PRO 21 2HG PRO 21 -11.411 -10.945 -17.812 144 1HD PRO 21 1HD PRO 21 -9.450 -9.485 -16.311 145 2HD PRO 21 2HD PRO 21 -10.958 -10.142 -15.706 146 H ARG 22 H ARG 22 -7.588 -14.288 -17.788 147 HA ARG 22 HA ARG 22 -5.610 -14.336 -18.706 148 1HB ARG 22 1HB ARG 22 -4.937 -11.610 -17.499 149 2HB ARG 22 2HB ARG 22 -4.125 -12.392 -18.841 150 1HG ARG 22 1HG ARG 22 -7.031 -11.445 -18.838 151 2HG ARG 22 2HG ARG 22 -5.697 -10.628 -19.628 152 1HD ARG 22 1HD ARG 22 -6.444 -11.846 -21.447 153 2HD ARG 22 2HD ARG 22 -5.376 -13.060 -20.771 154 HE ARG 22 HE ARG 22 -7.808 -13.464 -19.454 155 1HH1 ARG 22 1HH1 ARG 22 -9.470 -15.427 -21.813 156 2HH1 ARG 22 2HH1 ARG 22 -9.398 -14.952 -20.149 157 1HH2 ARG 22 1HH2 ARG 22 -7.953 -14.553 -23.336 158 2HH2 ARG 22 2HH2 ARG 22 -6.748 -13.425 -22.809 159 H ARG 23 H ARG 23 -3.152 -14.414 -17.970 160 HA ARG 23 HA ARG 23 -3.149 -15.704 -15.485 161 1HB ARG 23 1HB ARG 23 -1.224 -15.163 -17.688 162 2HB ARG 23 2HB ARG 23 -0.464 -15.287 -16.114 163 1HG ARG 23 1HG ARG 23 -1.465 -17.499 -15.736 164 2HG ARG 23 2HG ARG 23 -2.419 -17.365 -17.200 165 1HD ARG 23 1HD ARG 23 -0.506 -18.751 -17.735 166 2HD ARG 23 2HD ARG 23 -0.249 -17.208 -18.525 167 HE ARG 23 HE ARG 23 0.912 -17.370 -15.830 168 1HH1 ARG 23 1HH1 ARG 23 4.172 -17.454 -17.071 169 2HH1 ARG 23 2HH1 ARG 23 3.188 -17.261 -15.659 170 1HH2 ARG 23 1HH2 ARG 23 3.179 -17.824 -19.136 171 2HH2 ARG 23 2HH2 ARG 23 1.454 -17.907 -19.265 172 H TYR 24 H TYR 24 -3.662 -12.593 -15.839 173 HA TYR 24 HA TYR 24 -1.509 -11.435 -14.332 174 1HB TYR 24 1HB TYR 24 -3.631 -10.672 -16.072 175 2HB TYR 24 2HB TYR 24 -4.152 -10.061 -14.515 176 HD1 TYR 24 HD1 TYR 24 -3.971 -7.726 -14.991 177 HD2 TYR 24 HD2 TYR 24 -0.604 -10.297 -15.586 178 HE1 TYR 24 HE1 TYR 24 -2.466 -5.699 -15.288 179 HE2 TYR 24 HE2 TYR 24 0.890 -8.261 -15.882 180 HH TYR 24 HH TYR 24 -0.391 -5.136 -16.321 181 H LYS 25 H LYS 25 -1.990 -10.153 -12.291 182 HA LYS 25 HA LYS 25 -4.225 -10.761 -10.727 183 1HB LYS 25 1HB LYS 25 -3.073 -13.032 -10.788 184 2HB LYS 25 2HB LYS 25 -1.775 -12.311 -9.859 185 1HG LYS 25 1HG LYS 25 -3.267 -11.775 -8.017 186 2HG LYS 25 2HG LYS 25 -4.687 -12.157 -8.970 187 1HD LYS 25 1HD LYS 25 -2.713 -14.379 -8.773 188 2HD LYS 25 2HD LYS 25 -3.429 -13.915 -7.242 189 1HE LYS 25 1HE LYS 25 -5.714 -14.168 -8.226 190 2HE LYS 25 2HE LYS 25 -5.007 -14.614 -9.766 191 1HZ LYS 25 1HZ LYS 25 -5.681 -16.404 -8.048 192 2HZ LYS 25 2HZ LYS 25 -4.339 -16.609 -8.957 193 3HZ LYS 25 3HZ LYS 25 -4.208 -16.107 -7.409 194 H GLN 26 H GLN 26 -4.076 -9.729 -8.587 195 HA GLN 26 HA GLN 26 -1.721 -8.406 -7.852 196 1HB GLN 26 1HB GLN 26 -2.154 -6.880 -9.669 197 2HB GLN 26 2HB GLN 26 -3.856 -6.766 -9.268 198 1HG GLN 26 1HG GLN 26 -3.337 -5.609 -7.157 199 2HG GLN 26 2HG GLN 26 -1.619 -5.846 -7.403 200 1HE2 GLN 26 1HE2 GLN 26 -0.531 -4.250 -8.253 201 2HE2 GLN 26 2HE2 GLN 26 -1.148 -2.960 -9.231 202 H ILE 27 H ILE 27 -5.331 -7.916 -7.812 203 HA ILE 27 HA ILE 27 -6.753 -8.213 -6.104 204 HB ILE 27 HB ILE 27 -4.463 -8.463 -4.168 205 1HG1 ILE 27 1HG1 ILE 27 -5.563 -11.003 -5.053 206 2HG1 ILE 27 2HG1 ILE 27 -4.850 -10.128 -6.394 207 1HG2 ILE 27 1HG2 ILE 27 -7.153 -8.292 -3.733 208 2HG2 ILE 27 2HG2 ILE 27 -6.917 -10.053 -3.833 209 3HG2 ILE 27 3HG2 ILE 27 -5.989 -9.096 -2.654 210 1HD1 ILE 27 1HD1 ILE 27 -3.202 -9.977 -3.948 211 2HD1 ILE 27 2HD1 ILE 27 -3.448 -11.642 -4.525 212 3HD1 ILE 27 3HD1 ILE 27 -2.734 -10.422 -5.607 213 H GLY 28 H GLY 28 -5.936 -5.768 -7.229 214 1HA GLY 28 1HA GLY 28 -5.709 -3.966 -4.906 215 2HA GLY 28 2HA GLY 28 -5.301 -3.578 -6.565 216 H THR 29 H THR 29 -6.704 -1.698 -6.492 217 HA THR 29 HA THR 29 -9.497 -2.430 -6.966 218 HB THR 29 HB THR 29 -8.701 -0.083 -5.182 219 HG1 THR 29 HG1 THR 29 -8.321 -1.688 -3.709 220 1HG2 THR 29 1HG2 THR 29 -10.964 0.264 -5.340 221 2HG2 THR 29 2HG2 THR 29 -11.214 -1.298 -6.157 222 3HG2 THR 29 3HG2 THR 29 -11.140 -1.225 -4.380 223 H CYS 30 H CYS 30 -10.547 0.077 -7.418 224 HA CYS 30 HA CYS 30 -8.821 1.028 -9.589 225 1HB CYS 30 1HB CYS 30 -11.004 -0.285 -10.140 226 2HB CYS 30 2HB CYS 30 -11.817 1.201 -9.693 227 H GLY 31 H GLY 31 -11.654 1.878 -7.458 228 1HA GLY 31 1HA GLY 31 -10.362 4.442 -6.859 229 2HA GLY 31 2HA GLY 31 -11.957 4.466 -7.584 230 H LEU 32 H LEU 32 -13.489 4.871 -6.052 231 HA LEU 32 HA LEU 32 -13.021 4.204 -3.323 232 1HB LEU 32 1HB LEU 32 -14.730 5.585 -2.881 233 2HB LEU 32 2HB LEU 32 -14.374 6.151 -4.501 234 HG LEU 32 HG LEU 32 -16.183 4.597 -5.347 235 1HD1 LEU 32 1HD1 LEU 32 -16.234 3.883 -2.518 236 2HD1 LEU 32 2HD1 LEU 32 -17.838 4.333 -3.144 237 3HD1 LEU 32 3HD1 LEU 32 -16.907 3.036 -3.931 238 1HD2 LEU 32 1HD2 LEU 32 -17.241 6.650 -3.401 239 2HD2 LEU 32 2HD2 LEU 32 -16.397 7.094 -4.904 240 3HD2 LEU 32 3HD2 LEU 32 -17.909 6.156 -4.975 241 HA PRO 33 HA PRO 33 -16.072 0.814 -4.656 242 1HB PRO 33 1HB PRO 33 -15.780 -0.144 -7.199 243 2HB PRO 33 2HB PRO 33 -17.009 1.021 -6.749 244 1HG PRO 33 1HG PRO 33 -14.498 1.461 -8.245 245 2HG PRO 33 2HG PRO 33 -15.915 2.487 -8.154 246 1HD PRO 33 1HD PRO 33 -13.423 2.877 -6.787 247 2HD PRO 33 2HD PRO 33 -14.878 3.836 -6.608 248 H GLY 34 H GLY 34 -15.855 -1.468 -4.434 249 1HA GLY 34 1HA GLY 34 -13.174 -2.151 -3.706 250 2HA GLY 34 2HA GLY 34 -14.593 -3.178 -3.657 251 H THR 35 H THR 35 -13.377 -1.384 -6.536 252 HA THR 35 HA THR 35 -13.659 -3.476 -8.295 253 HB THR 35 HB THR 35 -11.441 -1.795 -9.076 254 HG1 THR 35 HG1 THR 35 -12.180 0.176 -8.227 255 1HG2 THR 35 1HG2 THR 35 -12.876 -1.185 -10.796 256 2HG2 THR 35 2HG2 THR 35 -13.807 -2.587 -10.216 257 3HG2 THR 35 3HG2 THR 35 -14.251 -0.945 -9.691 258 H LYS 36 H LYS 36 -11.965 -4.700 -9.506 259 HA LYS 36 HA LYS 36 -9.955 -5.648 -7.584 260 1HB LYS 36 1HB LYS 36 -11.591 -7.111 -9.661 261 2HB LYS 36 2HB LYS 36 -10.115 -7.787 -9.002 262 1HG LYS 36 1HG LYS 36 -12.688 -7.108 -7.540 263 2HG LYS 36 2HG LYS 36 -11.850 -8.646 -7.605 264 1HD LYS 36 1HD LYS 36 -10.654 -6.161 -6.299 265 2HD LYS 36 2HD LYS 36 -11.602 -7.338 -5.413 266 1HE LYS 36 1HE LYS 36 -9.422 -8.518 -7.068 267 2HE LYS 36 2HE LYS 36 -8.862 -7.477 -5.774 268 1HZ LYS 36 1HZ LYS 36 -9.953 -8.787 -4.203 269 2HZ LYS 36 2HZ LYS 36 -10.847 -9.583 -5.314 270 3HZ LYS 36 3HZ LYS 36 -9.242 -9.863 -5.205 271 H CYS 37 H CYS 37 -8.078 -4.605 -8.073 272 HA CYS 37 HA CYS 37 -7.498 -3.989 -10.818 273 1HB CYS 37 1HB CYS 37 -6.976 -2.623 -8.623 274 2HB CYS 37 2HB CYS 37 -5.531 -3.614 -8.595 275 H CYS 38 H CYS 38 -5.973 -5.077 -12.113 276 HA CYS 38 HA CYS 38 -4.718 -7.402 -10.842 277 1HB CYS 38 1HB CYS 38 -6.671 -7.655 -12.629 278 2HB CYS 38 2HB CYS 38 -5.352 -7.423 -13.758 279 H LYS 39 H LYS 39 -2.501 -7.718 -11.342 280 HA LYS 39 HA LYS 39 -1.325 -5.917 -13.307 281 1HB LYS 39 1HB LYS 39 0.226 -4.952 -11.850 282 2HB LYS 39 2HB LYS 39 -1.289 -4.868 -10.974 283 1HG LYS 39 1HG LYS 39 -0.139 -5.858 -9.268 284 2HG LYS 39 2HG LYS 39 -0.367 -7.343 -10.170 285 1HD LYS 39 1HD LYS 39 1.934 -7.432 -9.990 286 2HD LYS 39 2HD LYS 39 1.845 -6.470 -11.451 287 1HE LYS 39 1HE LYS 39 2.632 -4.583 -10.411 288 2HE LYS 39 2HE LYS 39 1.652 -4.841 -8.982 289 1HZ LYS 39 1HZ LYS 39 4.258 -5.181 -9.032 290 2HZ LYS 39 2HZ LYS 39 3.283 -5.986 -7.998 291 3HZ LYS 39 3HZ LYS 39 3.801 -6.713 -9.365 292 H LYS 40 H LYS 40 1.213 -6.543 -13.372 293 HA LYS 40 HA LYS 40 1.222 -9.239 -14.199 294 1HB LYS 40 1HB LYS 40 2.555 -7.412 -15.231 295 2HB LYS 40 2HB LYS 40 3.546 -7.333 -13.788 296 1HG LYS 40 1HG LYS 40 3.370 -10.101 -14.642 297 2HG LYS 40 2HG LYS 40 3.820 -9.117 -16.021 298 1HD LYS 40 1HD LYS 40 5.214 -8.968 -13.307 299 2HD LYS 40 2HD LYS 40 5.783 -9.953 -14.640 300 1HE LYS 40 1HE LYS 40 6.675 -8.157 -15.735 301 2HE LYS 40 2HE LYS 40 5.241 -7.182 -15.485 302 1HZ LYS 40 1HZ LYS 40 7.622 -7.336 -13.903 303 2HZ LYS 40 2HZ LYS 40 6.576 -6.097 -14.095 304 3HZ LYS 40 3HZ LYS 40 6.242 -7.290 -13.031 305 HA PRO 41 HA PRO 41 2.027 -10.831 -10.198 306 1HB PRO 41 1HB PRO 41 1.577 -13.458 -10.802 307 2HB PRO 41 2HB PRO 41 0.303 -12.351 -10.329 308 1HG PRO 41 1HG PRO 41 0.937 -13.409 -13.016 309 2HG PRO 41 2HG PRO 41 -0.546 -12.664 -12.451 310 1HD PRO 41 1HD PRO 41 1.471 -11.447 -14.087 311 2HD PRO 41 2HD PRO 41 0.047 -10.668 -13.426 Start of MODEL 2 1 H GLY 1 H GLY 1 1.884 0.000 0.829 2 1HA GLY 1 1HA GLY 1 2.925 0.675 -1.162 3 2HA GLY 1 2HA GLY 1 2.474 -0.996 -1.433 4 H ILE 2 H ILE 2 2.593 -0.218 -3.775 5 HA ILE 2 HA ILE 2 1.583 1.265 -5.380 6 HB ILE 2 HB ILE 2 0.681 -1.547 -5.071 7 1HG1 ILE 2 1HG1 ILE 2 2.531 0.042 -6.736 8 2HG1 ILE 2 2HG1 ILE 2 2.667 -1.603 -6.146 9 1HG2 ILE 2 1HG2 ILE 2 -0.388 0.132 -7.342 10 2HG2 ILE 2 2HG2 ILE 2 -0.794 -1.545 -6.907 11 3HG2 ILE 2 3HG2 ILE 2 -1.326 -0.202 -5.867 12 1HD1 ILE 2 1HD1 ILE 2 0.769 -2.162 -7.862 13 2HD1 ILE 2 2HD1 ILE 2 1.190 -0.596 -8.596 14 3HD1 ILE 2 3HD1 ILE 2 2.415 -1.883 -8.481 15 H GLY 3 H GLY 3 0.444 3.094 -4.918 16 1HA GLY 3 1HA GLY 3 -1.972 3.733 -5.165 17 2HA GLY 3 2HA GLY 3 -2.250 2.730 -3.755 18 H ASP 4 H ASP 4 0.234 5.220 -4.712 19 HA ASP 4 HA ASP 4 -0.573 6.722 -2.375 20 1HB ASP 4 1HB ASP 4 2.354 6.719 -2.810 21 2HB ASP 4 2HB ASP 4 1.454 6.613 -1.310 22 HD2 ASP 4 HD2 ASP 4 3.464 5.179 -1.290 23 HA PRO 5 HA PRO 5 0.649 10.127 -4.905 24 1HB PRO 5 1HB PRO 5 2.413 11.692 -3.524 25 2HB PRO 5 2HB PRO 5 0.688 11.693 -3.217 26 1HG PRO 5 1HG PRO 5 2.854 10.471 -1.619 27 2HG PRO 5 2HG PRO 5 1.214 10.852 -1.135 28 1HD PRO 5 1HD PRO 5 2.253 8.258 -1.783 29 2HD PRO 5 2HD PRO 5 0.588 8.657 -1.411 30 H VAL 6 H VAL 6 3.759 9.263 -3.453 31 HA VAL 6 HA VAL 6 5.081 9.850 -5.922 32 HB VAL 6 HB VAL 6 5.787 9.067 -3.158 33 1HG1 VAL 6 1HG1 VAL 6 8.200 8.628 -4.020 34 2HG1 VAL 6 2HG1 VAL 6 7.011 7.304 -4.074 35 3HG1 VAL 6 3HG1 VAL 6 7.403 8.211 -5.555 36 1HG2 VAL 6 1HG2 VAL 6 6.828 11.031 -5.217 37 2HG2 VAL 6 2HG2 VAL 6 5.942 11.373 -3.711 38 3HG2 VAL 6 3HG2 VAL 6 7.615 10.769 -3.642 39 H THR 7 H THR 7 4.674 6.828 -3.933 40 HA THR 7 HA THR 7 5.700 5.037 -5.708 41 HB THR 7 HB THR 7 3.912 5.073 -3.382 42 HG1 THR 7 HG1 THR 7 5.568 3.663 -2.933 43 1HG2 THR 7 1HG2 THR 7 3.544 2.868 -5.479 44 2HG2 THR 7 2HG2 THR 7 3.001 2.764 -3.787 45 3HG2 THR 7 3HG2 THR 7 2.270 3.960 -4.885 46 H CYS 8 H CYS 8 2.656 6.822 -5.958 47 HA CYS 8 HA CYS 8 1.261 5.234 -7.669 48 1HB CYS 8 1HB CYS 8 -0.055 6.982 -7.301 49 2HB CYS 8 2HB CYS 8 1.297 8.034 -6.931 50 H LEU 9 H LEU 9 3.946 7.564 -8.344 51 HA LEU 9 HA LEU 9 3.864 7.172 -11.146 52 1HB LEU 9 1HB LEU 9 6.368 8.065 -9.847 53 2HB LEU 9 2HB LEU 9 5.518 8.710 -11.237 54 HG LEU 9 HG LEU 9 4.459 9.050 -8.429 55 1HD1 LEU 9 1HD1 LEU 9 5.524 11.464 -8.893 56 2HD1 LEU 9 2HD1 LEU 9 6.391 10.166 -8.038 57 3HD1 LEU 9 3HD1 LEU 9 6.708 10.461 -9.764 58 1HD2 LEU 9 1HD2 LEU 9 3.924 11.205 -10.265 59 2HD2 LEU 9 2HD2 LEU 9 3.425 9.652 -10.977 60 3HD2 LEU 9 3HD2 LEU 9 2.789 10.148 -9.390 61 H LYS 10 H LYS 10 5.525 5.602 -8.399 62 HA LYS 10 HA LYS 10 7.414 4.190 -9.879 63 1HB LYS 10 1HB LYS 10 6.939 4.545 -7.258 64 2HB LYS 10 2HB LYS 10 6.232 2.952 -7.439 65 1HG LYS 10 1HG LYS 10 8.528 2.548 -6.911 66 2HG LYS 10 2HG LYS 10 8.404 2.251 -8.634 67 1HD LYS 10 1HD LYS 10 9.262 4.532 -9.116 68 2HD LYS 10 2HD LYS 10 9.322 4.892 -7.402 69 1HE LYS 10 1HE LYS 10 11.514 4.211 -7.642 70 2HE LYS 10 2HE LYS 10 10.813 2.627 -7.377 71 1HZ LYS 10 1HZ LYS 10 10.675 2.330 -9.737 72 2HZ LYS 10 2HZ LYS 10 11.242 3.835 -10.022 73 3HZ LYS 10 3HZ LYS 10 12.212 2.713 -9.337 74 H SER 11 H SER 11 3.942 3.884 -9.637 75 HA SER 11 HA SER 11 4.113 1.206 -10.748 76 1HB SER 11 1HB SER 11 1.533 2.591 -9.974 77 2HB SER 11 2HB SER 11 1.868 0.873 -10.050 78 HG SER 11 HG SER 11 3.602 1.989 -8.270 79 H GLY 12 H GLY 12 4.387 4.207 -11.915 80 1HA GLY 12 1HA GLY 12 4.099 5.095 -13.965 81 2HA GLY 12 2HA GLY 12 3.468 3.555 -14.516 82 H ALA 13 H ALA 13 1.836 4.723 -11.693 83 HA ALA 13 HA ALA 13 -0.606 4.959 -13.054 84 1HB ALA 13 1HB ALA 13 -0.361 4.306 -10.681 85 2HB ALA 13 2HB ALA 13 0.232 5.940 -10.295 86 3HB ALA 13 3HB ALA 13 -1.440 5.710 -10.860 87 H ILE 14 H ILE 14 -1.387 6.600 -14.275 88 HA ILE 14 HA ILE 14 0.097 8.981 -14.574 89 HB ILE 14 HB ILE 14 -2.091 9.620 -15.841 90 1HG1 ILE 14 1HG1 ILE 14 -2.579 6.703 -16.084 91 2HG1 ILE 14 2HG1 ILE 14 -3.117 7.443 -14.589 92 1HG2 ILE 14 1HG2 ILE 14 0.285 8.491 -16.554 93 2HG2 ILE 14 2HG2 ILE 14 -0.874 7.288 -17.169 94 3HG2 ILE 14 3HG2 ILE 14 -0.992 8.986 -17.691 95 1HD1 ILE 14 1HD1 ILE 14 -3.931 9.295 -16.520 96 2HD1 ILE 14 2HD1 ILE 14 -4.206 7.724 -17.310 97 3HD1 ILE 14 3HD1 ILE 14 -4.971 8.077 -15.742 98 H CYS 15 H CYS 15 -0.820 11.213 -14.247 99 HA CYS 15 HA CYS 15 -2.178 11.254 -11.658 100 1HB CYS 15 1HB CYS 15 -0.252 13.161 -12.973 101 2HB CYS 15 2HB CYS 15 -1.271 13.662 -11.638 102 H HIS 16 H HIS 16 -4.329 11.797 -11.759 103 HA HIS 16 HA HIS 16 -5.116 13.851 -13.639 104 1HB HIS 16 1HB HIS 16 -7.167 12.291 -14.166 105 2HB HIS 16 2HB HIS 16 -5.686 12.195 -15.097 106 HD1 HIS 16 HD1 HIS 16 -7.774 10.281 -12.635 107 HD2 HIS 16 HD2 HIS 16 -4.139 9.840 -14.680 108 HE1 HIS 16 HE1 HIS 16 -7.093 7.838 -12.363 109 HE2 HIS 16 HE2 HIS 16 -4.881 7.615 -13.686 110 HA PRO 17 HA PRO 17 -7.149 14.655 -9.822 111 1HB PRO 17 1HB PRO 17 -7.627 17.308 -10.273 112 2HB PRO 17 2HB PRO 17 -6.140 16.708 -9.565 113 1HG PRO 17 1HG PRO 17 -6.617 17.709 -12.306 114 2HG PRO 17 2HG PRO 17 -5.096 17.512 -11.458 115 1HD PRO 17 1HD PRO 17 -6.157 15.799 -13.499 116 2HD PRO 17 2HD PRO 17 -4.694 15.541 -12.571 117 H VAL 18 H VAL 18 -8.827 13.158 -10.393 118 HA VAL 18 HA VAL 18 -11.300 14.288 -10.352 119 HB VAL 18 HB VAL 18 -11.816 13.592 -12.896 120 1HG1 VAL 18 1HG1 VAL 18 -12.617 15.670 -12.820 121 2HG1 VAL 18 2HG1 VAL 18 -11.635 15.994 -11.372 122 3HG1 VAL 18 3HG1 VAL 18 -10.972 16.327 -12.990 123 1HG2 VAL 18 1HG2 VAL 18 -10.129 13.863 -14.384 124 2HG2 VAL 18 2HG2 VAL 18 -9.353 15.155 -13.437 125 3HG2 VAL 18 3HG2 VAL 18 -9.108 13.451 -12.986 126 H PHE 19 H PHE 19 -10.896 11.914 -12.926 127 HA PHE 19 HA PHE 19 -11.364 9.787 -10.961 128 1HB PHE 19 1HB PHE 19 -12.825 8.862 -12.957 129 2HB PHE 19 2HB PHE 19 -13.502 10.166 -12.002 130 HD1 PHE 19 HD1 PHE 19 -11.814 9.375 -15.189 131 HD2 PHE 19 HD2 PHE 19 -13.961 12.286 -12.970 132 HE1 PHE 19 HE1 PHE 19 -12.091 10.755 -17.267 133 HE2 PHE 19 HE2 PHE 19 -14.238 13.666 -15.049 134 HZ PHE 19 HZ PHE 19 -13.299 12.884 -17.172 135 H CYS 20 H CYS 20 -11.337 7.565 -12.520 136 HA CYS 20 HA CYS 20 -8.719 7.753 -13.821 137 1HB CYS 20 1HB CYS 20 -8.305 6.337 -12.081 138 2HB CYS 20 2HB CYS 20 -9.944 5.718 -12.029 139 HA PRO 21 HA PRO 21 -11.537 6.773 -17.159 140 1HB PRO 21 1HB PRO 21 -10.127 8.022 -19.139 141 2HB PRO 21 2HB PRO 21 -11.367 8.822 -18.195 142 1HG PRO 21 1HG PRO 21 -8.430 9.097 -18.009 143 2HG PRO 21 2HG PRO 21 -9.674 10.168 -17.395 144 1HD PRO 21 1HD PRO 21 -8.104 8.313 -15.873 145 2HD PRO 21 2HD PRO 21 -9.426 9.300 -15.281 146 H ARG 22 H ARG 22 -11.235 5.726 -19.406 147 HA ARG 22 HA ARG 22 -10.456 4.069 -20.553 148 1HB ARG 22 1HB ARG 22 -7.949 5.101 -19.285 149 2HB ARG 22 2HB ARG 22 -7.844 3.463 -19.897 150 1HG ARG 22 1HG ARG 22 -7.210 4.822 -21.748 151 2HG ARG 22 2HG ARG 22 -8.865 4.361 -22.097 152 1HD ARG 22 1HD ARG 22 -8.229 6.953 -20.630 153 2HD ARG 22 2HD ARG 22 -8.214 6.874 -22.381 154 HE ARG 22 HE ARG 22 -10.559 6.942 -20.703 155 1HH1 ARG 22 1HH1 ARG 22 -12.794 6.032 -23.223 156 2HH1 ARG 22 2HH1 ARG 22 -12.630 6.717 -21.641 157 1HH2 ARG 22 1HH2 ARG 22 -10.910 5.341 -24.389 158 2HH2 ARG 22 2HH2 ARG 22 -9.340 5.511 -23.678 159 H ARG 23 H ARG 23 -9.341 1.721 -20.289 160 HA ARG 23 HA ARG 23 -10.687 0.556 -18.114 161 1HB ARG 23 1HB ARG 23 -9.130 -0.361 -20.491 162 2HB ARG 23 2HB ARG 23 -9.071 -1.459 -19.126 163 1HG ARG 23 1HG ARG 23 -11.506 -1.620 -19.047 164 2HG ARG 23 2HG ARG 23 -11.686 -0.324 -20.213 165 1HD ARG 23 1HD ARG 23 -10.384 -3.034 -20.776 166 2HD ARG 23 2HD ARG 23 -11.998 -2.565 -21.271 167 HE ARG 23 HE ARG 23 -10.166 -0.590 -22.230 168 1HH1 ARG 23 1HH1 ARG 23 -9.653 -2.004 -25.379 169 2HH1 ARG 23 2HH1 ARG 23 -9.506 -0.571 -24.418 170 1HH2 ARG 23 1HH2 ARG 23 -10.522 -3.943 -24.446 171 2HH2 ARG 23 2HH2 ARG 23 -11.023 -3.957 -22.788 172 H TYR 24 H TYR 24 -8.216 2.459 -17.758 173 HA TYR 24 HA TYR 24 -6.179 0.819 -16.636 174 1HB TYR 24 1HB TYR 24 -6.714 3.531 -17.416 175 2HB TYR 24 2HB TYR 24 -6.431 3.619 -15.689 176 HD1 TYR 24 HD1 TYR 24 -4.358 4.793 -15.711 177 HD2 TYR 24 HD2 TYR 24 -4.795 1.197 -17.988 178 HE1 TYR 24 HE1 TYR 24 -1.850 4.740 -16.123 179 HE2 TYR 24 HE2 TYR 24 -2.285 1.156 -18.392 180 HH TYR 24 HH TYR 24 -0.165 2.549 -16.690 181 H LYS 25 H LYS 25 -5.442 1.107 -14.303 182 HA LYS 25 HA LYS 25 -7.447 1.832 -12.405 183 1HB LYS 25 1HB LYS 25 -8.228 -0.426 -13.162 184 2HB LYS 25 2HB LYS 25 -6.716 -1.104 -12.594 185 1HG LYS 25 1HG LYS 25 -7.205 -0.648 -10.320 186 2HG LYS 25 2HG LYS 25 -8.367 0.603 -10.714 187 1HD LYS 25 1HD LYS 25 -10.067 -0.938 -11.240 188 2HD LYS 25 2HD LYS 25 -8.936 -2.214 -11.644 189 1HE LYS 25 1HE LYS 25 -8.604 -1.422 -8.847 190 2HE LYS 25 2HE LYS 25 -10.279 -1.827 -9.165 191 1HZ LYS 25 1HZ LYS 25 -8.693 -3.685 -8.573 192 2HZ LYS 25 2HZ LYS 25 -9.694 -3.940 -9.837 193 3HZ LYS 25 3HZ LYS 25 -8.126 -3.568 -10.099 194 H GLN 26 H GLN 26 -6.585 1.492 -10.121 195 HA GLN 26 HA GLN 26 -4.125 0.673 -9.487 196 1HB GLN 26 1HB GLN 26 -2.893 2.046 -10.928 197 2HB GLN 26 2HB GLN 26 -4.020 3.382 -10.802 198 1HG GLN 26 1HG GLN 26 -1.974 3.953 -9.584 199 2HG GLN 26 2HG GLN 26 -3.286 3.773 -8.437 200 1HE2 GLN 26 1HE2 GLN 26 -1.060 3.627 -7.243 201 2HE2 GLN 26 2HE2 GLN 26 -0.518 2.023 -6.877 202 H ILE 27 H ILE 27 -5.582 3.995 -9.145 203 HA ILE 27 HA ILE 27 -6.748 4.856 -7.436 204 HB ILE 27 HB ILE 27 -6.180 2.429 -5.750 205 1HG1 ILE 27 1HG1 ILE 27 -8.777 2.381 -7.042 206 2HG1 ILE 27 2HG1 ILE 27 -7.495 2.378 -8.237 207 1HG2 ILE 27 1HG2 ILE 27 -8.352 4.539 -5.737 208 2HG2 ILE 27 2HG2 ILE 27 -8.364 3.070 -4.732 209 3HG2 ILE 27 3HG2 ILE 27 -7.078 4.282 -4.521 210 1HD1 ILE 27 1HD1 ILE 27 -8.393 0.156 -6.808 211 2HD1 ILE 27 2HD1 ILE 27 -6.860 0.259 -7.707 212 3HD1 ILE 27 3HD1 ILE 27 -6.892 0.603 -5.961 213 H GLY 28 H GLY 28 -4.175 5.562 -8.075 214 1HA GLY 28 1HA GLY 28 -2.700 5.638 -5.530 215 2HA GLY 28 2HA GLY 28 -2.058 5.968 -7.127 216 H THR 29 H THR 29 -1.369 7.862 -5.414 217 HA THR 29 HA THR 29 -3.355 10.011 -5.765 218 HB THR 29 HB THR 29 -1.132 10.079 -3.709 219 HG1 THR 29 HG1 THR 29 -2.478 8.707 -2.402 220 1HG2 THR 29 1HG2 THR 29 -2.514 12.028 -3.606 221 2HG2 THR 29 2HG2 THR 29 -3.988 11.103 -3.979 222 3HG2 THR 29 3HG2 THR 29 -3.225 10.954 -2.378 223 H CYS 30 H CYS 30 -1.884 12.242 -5.400 224 HA CYS 30 HA CYS 30 0.504 12.081 -6.976 225 1HB CYS 30 1HB CYS 30 -1.614 12.183 -8.537 226 2HB CYS 30 2HB CYS 30 -1.604 13.882 -8.107 227 H GLY 31 H GLY 31 1.356 12.935 -4.950 228 1HA GLY 31 1HA GLY 31 1.898 14.535 -3.464 229 2HA GLY 31 2HA GLY 31 1.678 15.654 -4.794 230 H LEU 32 H LEU 32 -0.437 16.677 -5.132 231 HA LEU 32 HA LEU 32 -1.631 17.454 -2.729 232 1HB LEU 32 1HB LEU 32 -2.902 18.871 -4.004 233 2HB LEU 32 2HB LEU 32 -1.474 18.646 -4.994 234 HG LEU 32 HG LEU 32 -3.088 16.672 -5.976 235 1HD1 LEU 32 1HD1 LEU 32 -5.079 18.852 -5.902 236 2HD1 LEU 32 2HD1 LEU 32 -5.294 17.086 -5.849 237 3HD1 LEU 32 3HD1 LEU 32 -4.849 17.973 -4.372 238 1HD2 LEU 32 1HD2 LEU 32 -3.731 18.752 -7.620 239 2HD2 LEU 32 2HD2 LEU 32 -2.294 19.390 -6.786 240 3HD2 LEU 32 3HD2 LEU 32 -2.200 17.846 -7.668 241 HA PRO 33 HA PRO 33 -4.538 14.324 -2.101 242 1HB PRO 33 1HB PRO 33 -6.327 15.601 -0.478 243 2HB PRO 33 2HB PRO 33 -4.816 14.931 0.103 244 1HG PRO 33 1HG PRO 33 -5.527 17.760 -0.373 245 2HG PRO 33 2HG PRO 33 -4.215 17.104 0.586 246 1HD PRO 33 1HD PRO 33 -4.016 18.265 -2.029 247 2HD PRO 33 2HD PRO 33 -2.726 17.505 -1.119 248 H GLY 34 H GLY 34 -6.651 13.470 -2.565 249 1HA GLY 34 1HA GLY 34 -8.666 13.532 -3.630 250 2HA GLY 34 2HA GLY 34 -8.447 15.235 -3.981 251 H THR 35 H THR 35 -5.612 13.470 -4.784 252 HA THR 35 HA THR 35 -6.124 13.855 -7.589 253 HB THR 35 HB THR 35 -3.692 12.448 -7.162 254 HG1 THR 35 HG1 THR 35 -3.758 12.757 -4.917 255 1HG2 THR 35 1HG2 THR 35 -4.479 15.364 -7.455 256 2HG2 THR 35 2HG2 THR 35 -2.796 14.955 -7.044 257 3HG2 THR 35 3HG2 THR 35 -3.514 14.352 -8.557 258 H LYS 36 H LYS 36 -6.088 12.243 -9.232 259 HA LYS 36 HA LYS 36 -6.832 9.596 -8.194 260 1HB LYS 36 1HB LYS 36 -8.296 11.420 -9.888 261 2HB LYS 36 2HB LYS 36 -7.948 9.948 -10.771 262 1HG LYS 36 1HG LYS 36 -10.108 9.973 -9.348 263 2HG LYS 36 2HG LYS 36 -9.068 8.572 -9.182 264 1HD LYS 36 1HD LYS 36 -7.991 9.711 -7.163 265 2HD LYS 36 2HD LYS 36 -9.209 10.965 -7.290 266 1HE LYS 36 1HE LYS 36 -10.846 8.787 -7.324 267 2HE LYS 36 2HE LYS 36 -9.507 8.105 -6.421 268 1HZ LYS 36 1HZ LYS 36 -9.743 10.398 -5.191 269 2HZ LYS 36 2HZ LYS 36 -11.292 10.247 -5.686 270 3HZ LYS 36 3HZ LYS 36 -10.615 9.088 -4.755 271 H CYS 37 H CYS 37 -4.974 8.420 -8.404 272 HA CYS 37 HA CYS 37 -3.480 8.759 -10.883 273 1HB CYS 37 1HB CYS 37 -2.533 8.742 -8.391 274 2HB CYS 37 2HB CYS 37 -2.511 7.012 -8.669 275 H CYS 38 H CYS 38 -3.590 7.181 -12.466 276 HA CYS 38 HA CYS 38 -4.703 4.599 -11.652 277 1HB CYS 38 1HB CYS 38 -6.249 6.288 -12.960 278 2HB CYS 38 2HB CYS 38 -5.338 5.730 -14.349 279 H LYS 39 H LYS 39 -3.642 2.807 -12.596 280 HA LYS 39 HA LYS 39 -1.572 3.445 -14.570 281 1HB LYS 39 1HB LYS 39 0.105 2.341 -13.408 282 2HB LYS 39 2HB LYS 39 -0.726 3.222 -12.142 283 1HG LYS 39 1HG LYS 39 -0.881 1.217 -11.070 284 2HG LYS 39 2HG LYS 39 -2.169 0.853 -12.200 285 1HD LYS 39 1HD LYS 39 -0.930 -0.853 -13.028 286 2HD LYS 39 2HD LYS 39 0.250 0.308 -13.604 287 1HE LYS 39 1HE LYS 39 1.685 -0.035 -11.808 288 2HE LYS 39 2HE LYS 39 0.381 -0.353 -10.681 289 1HZ LYS 39 1HZ LYS 39 0.175 -2.511 -11.457 290 2HZ LYS 39 2HZ LYS 39 1.008 -2.232 -12.834 291 3HZ LYS 39 3HZ LYS 39 1.792 -2.287 -11.403 292 H LYS 40 H LYS 40 -0.617 0.966 -15.151 293 HA LYS 40 HA LYS 40 -2.452 -0.091 -16.840 294 1HB LYS 40 1HB LYS 40 -0.107 -0.620 -16.985 295 2HB LYS 40 2HB LYS 40 -0.127 -1.425 -15.429 296 1HG LYS 40 1HG LYS 40 -1.990 -2.953 -16.513 297 2HG LYS 40 2HG LYS 40 -1.383 -2.336 -18.037 298 1HD LYS 40 1HD LYS 40 -0.005 -4.192 -17.813 299 2HD LYS 40 2HD LYS 40 0.993 -3.003 -17.000 300 1HE LYS 40 1HE LYS 40 0.453 -3.814 -14.846 301 2HE LYS 40 2HE LYS 40 -1.051 -4.537 -15.380 302 1HZ LYS 40 1HZ LYS 40 1.542 -5.653 -15.352 303 2HZ LYS 40 2HZ LYS 40 0.099 -6.399 -15.512 304 3HZ LYS 40 3HZ LYS 40 0.859 -5.800 -16.828 305 HA PRO 41 HA PRO 41 -5.314 -2.148 -14.337 306 1HB PRO 41 1HB PRO 41 -6.594 -3.645 -16.232 307 2HB PRO 41 2HB PRO 41 -6.952 -1.954 -15.943 308 1HG PRO 41 1HG PRO 41 -5.441 -3.174 -18.172 309 2HG PRO 41 2HG PRO 41 -6.167 -1.581 -18.079 310 1HD PRO 41 1HD PRO 41 -3.382 -2.216 -17.811 311 2HD PRO 41 2HD PRO 41 -4.123 -0.642 -17.604 Start of MODEL 3 1 H GLY 1 H GLY 1 1.884 0.000 0.829 2 1HA GLY 1 1HA GLY 1 1.507 -0.526 -2.014 3 2HA GLY 1 2HA GLY 1 2.208 1.024 -1.593 4 H ILE 2 H ILE 2 4.071 0.030 -2.896 5 HA ILE 2 HA ILE 2 5.598 -1.974 -2.642 6 HB ILE 2 HB ILE 2 6.256 0.902 -2.567 7 1HG1 ILE 2 1HG1 ILE 2 6.306 -1.346 -4.416 8 2HG1 ILE 2 2HG1 ILE 2 6.241 0.375 -4.738 9 1HG2 ILE 2 1HG2 ILE 2 8.369 -1.196 -2.003 10 2HG2 ILE 2 2HG2 ILE 2 8.677 0.505 -2.425 11 3HG2 ILE 2 3HG2 ILE 2 7.841 0.102 -0.906 12 1HD1 ILE 2 1HD1 ILE 2 8.318 -0.675 -5.645 13 2HD1 ILE 2 2HD1 ILE 2 8.682 0.570 -4.426 14 3HD1 ILE 2 3HD1 ILE 2 8.778 -1.154 -3.994 15 H GLY 3 H GLY 3 5.942 -3.458 -1.084 16 1HA GLY 3 1HA GLY 3 7.476 -3.290 1.074 17 2HA GLY 3 2HA GLY 3 5.989 -2.610 1.704 18 H ASP 4 H ASP 4 7.091 -5.434 -0.311 19 HA ASP 4 HA ASP 4 5.409 -7.080 1.385 20 1HB ASP 4 1HB ASP 4 5.527 -8.012 -1.411 21 2HB ASP 4 2HB ASP 4 4.146 -7.895 -0.339 22 HD2 ASP 4 HD2 ASP 4 2.884 -6.947 -2.103 23 HA PRO 5 HA PRO 5 8.669 -10.001 0.826 24 1HB PRO 5 1HB PRO 5 7.615 -12.363 -0.056 25 2HB PRO 5 2HB PRO 5 7.503 -11.826 1.608 26 1HG PRO 5 1HG PRO 5 5.406 -11.855 -0.476 27 2HG PRO 5 2HG PRO 5 5.224 -11.733 1.263 28 1HD PRO 5 1HD PRO 5 4.995 -9.599 -0.641 29 2HD PRO 5 2HD PRO 5 4.928 -9.458 1.105 30 H VAL 6 H VAL 6 6.740 -10.776 -2.040 31 HA VAL 6 HA VAL 6 9.117 -11.155 -3.566 32 HB VAL 6 HB VAL 6 6.183 -11.332 -3.946 33 1HG1 VAL 6 1HG1 VAL 6 6.569 -11.620 -6.456 34 2HG1 VAL 6 2HG1 VAL 6 6.565 -9.954 -5.831 35 3HG1 VAL 6 3HG1 VAL 6 8.107 -10.759 -6.211 36 1HG2 VAL 6 1HG2 VAL 6 7.088 -13.415 -5.255 37 2HG2 VAL 6 2HG2 VAL 6 8.612 -13.041 -4.416 38 3HG2 VAL 6 3HG2 VAL 6 7.141 -13.390 -3.476 39 H THR 7 H THR 7 6.400 -8.738 -3.723 40 HA THR 7 HA THR 7 7.474 -7.078 -5.610 41 HB THR 7 HB THR 7 5.405 -7.046 -3.553 42 HG1 THR 7 HG1 THR 7 4.970 -6.901 -5.806 43 1HG2 THR 7 1HG2 THR 7 6.858 -4.412 -4.141 44 2HG2 THR 7 2HG2 THR 7 5.238 -4.537 -3.414 45 3HG2 THR 7 3HG2 THR 7 6.658 -5.156 -2.536 46 H CYS 8 H CYS 8 8.597 -7.627 -2.329 47 HA CYS 8 HA CYS 8 9.819 -5.322 -1.683 48 1HB CYS 8 1HB CYS 8 9.883 -7.886 -0.751 49 2HB CYS 8 2HB CYS 8 11.531 -7.696 -1.317 50 H LEU 9 H LEU 9 10.533 -7.539 -4.345 51 HA LEU 9 HA LEU 9 13.150 -6.472 -4.827 52 1HB LEU 9 1HB LEU 9 11.665 -8.012 -6.890 53 2HB LEU 9 2HB LEU 9 13.352 -8.085 -6.421 54 HG LEU 9 HG LEU 9 11.552 -8.989 -4.292 55 1HD1 LEU 9 1HD1 LEU 9 10.466 -9.639 -6.625 56 2HD1 LEU 9 2HD1 LEU 9 11.687 -10.932 -6.552 57 3HD1 LEU 9 3HD1 LEU 9 10.489 -10.765 -5.246 58 1HD2 LEU 9 1HD2 LEU 9 13.965 -10.148 -5.704 59 2HD2 LEU 9 2HD2 LEU 9 13.903 -9.356 -4.111 60 3HD2 LEU 9 3HD2 LEU 9 13.126 -10.940 -4.348 61 H LYS 10 H LYS 10 9.828 -6.111 -6.189 62 HA LYS 10 HA LYS 10 10.288 -4.637 -8.384 63 1HB LYS 10 1HB LYS 10 8.089 -5.354 -7.107 64 2HB LYS 10 2HB LYS 10 8.154 -3.717 -6.486 65 1HG LYS 10 1HG LYS 10 6.852 -3.562 -8.484 66 2HG LYS 10 2HG LYS 10 8.425 -2.926 -8.923 67 1HD LYS 10 1HD LYS 10 9.066 -5.104 -9.918 68 2HD LYS 10 2HD LYS 10 7.548 -5.813 -9.405 69 1HE LYS 10 1HE LYS 10 6.370 -4.858 -11.128 70 2HE LYS 10 2HE LYS 10 7.195 -3.320 -10.973 71 1HZ LYS 10 1HZ LYS 10 7.969 -4.115 -12.949 72 2HZ LYS 10 2HZ LYS 10 9.157 -4.625 -11.951 73 3HZ LYS 10 3HZ LYS 10 8.019 -5.675 -12.470 74 H SER 11 H SER 11 10.869 -3.693 -5.018 75 HA SER 11 HA SER 11 12.725 -1.926 -5.343 76 1HB SER 11 1HB SER 11 10.195 -0.698 -6.347 77 2HB SER 11 2HB SER 11 11.150 0.318 -5.286 78 HG SER 11 HG SER 11 11.575 0.234 -7.772 79 H GLY 12 H GLY 12 11.730 -3.601 -3.353 80 1HA GLY 12 1HA GLY 12 10.756 -1.754 -1.261 81 2HA GLY 12 2HA GLY 12 10.483 -3.485 -1.301 82 H ALA 13 H ALA 13 13.243 -4.153 -2.227 83 HA ALA 13 HA ALA 13 15.317 -3.175 -0.871 84 1HB ALA 13 1HB ALA 13 14.735 -3.261 1.317 85 2HB ALA 13 2HB ALA 13 13.387 -4.382 1.009 86 3HB ALA 13 3HB ALA 13 15.044 -5.008 1.176 87 H ILE 14 H ILE 14 17.067 -4.916 -0.425 88 HA ILE 14 HA ILE 14 16.931 -6.762 -2.606 89 HB ILE 14 HB ILE 14 19.238 -7.382 -1.588 90 1HG1 ILE 14 1HG1 ILE 14 19.248 -4.662 -0.394 91 2HG1 ILE 14 2HG1 ILE 14 18.414 -5.900 0.525 92 1HG2 ILE 14 1HG2 ILE 14 19.612 -6.303 -3.511 93 2HG2 ILE 14 2HG2 ILE 14 18.322 -5.113 -3.210 94 3HG2 ILE 14 3HG2 ILE 14 19.931 -4.885 -2.483 95 1HD1 ILE 14 1HD1 ILE 14 20.498 -6.395 1.324 96 2HD1 ILE 14 2HD1 ILE 14 20.696 -7.261 -0.218 97 3HD1 ILE 14 3HD1 ILE 14 21.312 -5.600 -0.044 98 H CYS 15 H CYS 15 17.452 -9.118 -2.332 99 HA CYS 15 HA CYS 15 16.009 -10.097 0.013 100 1HB CYS 15 1HB CYS 15 16.362 -11.166 -2.773 101 2HB CYS 15 2HB CYS 15 15.945 -12.242 -1.454 102 H HIS 16 H HIS 16 17.308 -10.922 1.613 103 HA HIS 16 HA HIS 16 19.561 -12.545 0.838 104 1HB HIS 16 1HB HIS 16 20.988 -11.221 2.559 105 2HB HIS 16 2HB HIS 16 20.844 -10.639 0.912 106 HD1 HIS 16 HD1 HIS 16 19.929 -9.796 4.448 107 HD2 HIS 16 HD2 HIS 16 19.298 -8.259 0.596 108 HE1 HIS 16 HE1 HIS 16 19.024 -7.431 4.761 109 HE2 HIS 16 HE2 HIS 16 18.707 -6.519 2.360 110 HA PRO 17 HA PRO 17 18.010 -14.599 4.330 111 1HB PRO 17 1HB PRO 17 19.876 -16.585 4.532 112 2HB PRO 17 2HB PRO 17 18.518 -16.654 3.426 113 1HG PRO 17 1HG PRO 17 21.364 -16.113 2.835 114 2HG PRO 17 2HG PRO 17 20.088 -16.602 1.737 115 1HD PRO 17 1HD PRO 17 21.188 -13.969 2.025 116 2HD PRO 17 2HD PRO 17 19.836 -14.434 1.013 117 H VAL 18 H VAL 18 18.165 -14.775 6.572 118 HA VAL 18 HA VAL 18 19.078 -14.416 8.567 119 HB VAL 18 HB VAL 18 21.304 -14.634 8.910 120 1HG1 VAL 18 1HG1 VAL 18 21.741 -15.400 6.073 121 2HG1 VAL 18 2HG1 VAL 18 22.007 -16.326 7.570 122 3HG1 VAL 18 3HG1 VAL 18 20.366 -16.175 6.896 123 1HG2 VAL 18 1HG2 VAL 18 22.811 -13.700 6.765 124 2HG2 VAL 18 2HG2 VAL 18 21.502 -12.504 6.922 125 3HG2 VAL 18 3HG2 VAL 18 22.546 -12.868 8.317 126 H PHE 19 H PHE 19 20.388 -12.457 9.771 127 HA PHE 19 HA PHE 19 18.858 -10.266 9.616 128 1HB PHE 19 1HB PHE 19 21.028 -9.108 10.512 129 2HB PHE 19 2HB PHE 19 20.500 -10.535 11.381 130 HD1 PHE 19 HD1 PHE 19 21.768 -12.598 11.273 131 HD2 PHE 19 HD2 PHE 19 23.017 -9.177 9.096 132 HE1 PHE 19 HE1 PHE 19 24.015 -13.653 10.904 133 HE2 PHE 19 HE2 PHE 19 25.264 -10.232 8.727 134 HZ PHE 19 HZ PHE 19 25.737 -12.458 9.636 135 H CYS 20 H CYS 20 19.596 -7.933 8.981 136 HA CYS 20 HA CYS 20 20.205 -8.061 6.157 137 1HB CYS 20 1HB CYS 20 18.402 -6.695 6.396 138 2HB CYS 20 2HB CYS 20 18.892 -6.114 7.975 139 HA PRO 21 HA PRO 21 24.325 -6.904 7.182 140 1HB PRO 21 1HB PRO 21 25.371 -7.038 4.660 141 2HB PRO 21 2HB PRO 21 25.224 -8.432 5.712 142 1HG PRO 21 1HG PRO 21 23.586 -7.703 3.362 143 2HG PRO 21 2HG PRO 21 23.738 -9.259 4.154 144 1HD PRO 21 1HD PRO 21 21.547 -7.422 4.385 145 2HD PRO 21 2HD PRO 21 21.753 -8.923 5.265 146 H ARG 22 H ARG 22 26.041 -5.270 6.472 147 HA ARG 22 HA ARG 22 26.536 -3.189 6.179 148 1HB ARG 22 1HB ARG 22 24.526 -3.677 4.025 149 2HB ARG 22 2HB ARG 22 24.786 -1.985 4.399 150 1HG ARG 22 1HG ARG 22 26.589 -2.124 3.011 151 2HG ARG 22 2HG ARG 22 27.390 -2.937 4.340 152 1HD ARG 22 1HD ARG 22 25.741 -4.400 2.223 153 2HD ARG 22 2HD ARG 22 27.478 -4.190 2.121 154 HE ARG 22 HE ARG 22 26.531 -5.376 4.648 155 1HH1 ARG 22 1HH1 ARG 22 27.958 -8.466 3.879 156 2HH1 ARG 22 2HH1 ARG 22 27.218 -7.505 5.115 157 1HH2 ARG 22 1HH2 ARG 22 28.251 -7.592 1.749 158 2HH2 ARG 22 2HH2 ARG 22 27.730 -5.979 1.395 159 H ARG 23 H ARG 23 25.676 -0.796 6.395 160 HA ARG 23 HA ARG 23 23.928 -0.815 8.615 161 1HB ARG 23 1HB ARG 23 25.661 1.158 7.192 162 2HB ARG 23 2HB ARG 23 24.255 1.859 7.967 163 1HG ARG 23 1HG ARG 23 24.887 0.921 10.134 164 2HG ARG 23 2HG ARG 23 26.163 -0.036 9.409 165 1HD ARG 23 1HD ARG 23 27.613 1.688 9.680 166 2HD ARG 23 2HD ARG 23 26.635 2.682 8.619 167 HE ARG 23 HE ARG 23 26.621 2.717 11.562 168 1HH1 ARG 23 1HH1 ARG 23 24.287 5.309 11.663 169 2HH1 ARG 23 2HH1 ARG 23 25.416 4.369 12.581 170 1HH2 ARG 23 1HH2 ARG 23 23.998 4.889 9.398 171 2HH2 ARG 23 2HH2 ARG 23 24.913 3.637 8.626 172 H TYR 24 H TYR 24 22.950 -1.585 5.789 173 HA TYR 24 HA TYR 24 21.334 0.414 4.740 174 1HB TYR 24 1HB TYR 24 21.989 -2.341 4.399 175 2HB TYR 24 2HB TYR 24 20.266 -2.370 4.717 176 HD1 TYR 24 HD1 TYR 24 19.362 -2.947 2.621 177 HD2 TYR 24 HD2 TYR 24 22.193 0.250 2.877 178 HE1 TYR 24 HE1 TYR 24 18.909 -2.343 0.193 179 HE2 TYR 24 HE2 TYR 24 21.731 0.844 0.448 180 HH TYR 24 HH TYR 24 20.842 -0.660 -1.634 181 H LYS 25 H LYS 25 18.762 -1.052 4.669 182 HA LYS 25 HA LYS 25 17.853 -1.035 7.408 183 1HB LYS 25 1HB LYS 25 17.812 1.383 6.108 184 2HB LYS 25 2HB LYS 25 16.219 0.759 5.732 185 1HG LYS 25 1HG LYS 25 15.673 1.631 7.785 186 2HG LYS 25 2HG LYS 25 16.322 0.117 8.383 187 1HD LYS 25 1HD LYS 25 18.578 1.819 8.016 188 2HD LYS 25 2HD LYS 25 17.347 2.828 8.749 189 1HE LYS 25 1HE LYS 25 17.722 0.079 9.913 190 2HE LYS 25 2HE LYS 25 18.994 1.247 10.212 191 1HZ LYS 25 1HZ LYS 25 16.259 2.112 10.615 192 2HZ LYS 25 2HZ LYS 25 16.904 1.103 11.725 193 3HZ LYS 25 3HZ LYS 25 17.613 2.542 11.420 194 H GLN 26 H GLN 26 16.840 -2.969 7.470 195 HA GLN 26 HA GLN 26 15.343 -3.712 5.088 196 1HB GLN 26 1HB GLN 26 16.115 -5.819 5.387 197 2HB GLN 26 2HB GLN 26 17.225 -5.145 6.564 198 1HG GLN 26 1HG GLN 26 14.415 -6.162 7.204 199 2HG GLN 26 2HG GLN 26 15.891 -7.067 7.477 200 1HE2 GLN 26 1HE2 GLN 26 13.865 -6.151 9.355 201 2HE2 GLN 26 2HE2 GLN 26 14.660 -5.177 10.546 202 H ILE 27 H ILE 27 13.197 -4.754 5.391 203 HA ILE 27 HA ILE 27 11.923 -4.805 7.877 204 HB ILE 27 HB ILE 27 10.287 -2.862 7.144 205 1HG1 ILE 27 1HG1 ILE 27 11.724 -0.907 6.363 206 2HG1 ILE 27 2HG1 ILE 27 12.932 -2.088 5.894 207 1HG2 ILE 27 1HG2 ILE 27 12.209 -3.247 9.115 208 2HG2 ILE 27 2HG2 ILE 27 12.586 -1.642 8.445 209 3HG2 ILE 27 3HG2 ILE 27 10.957 -1.982 9.075 210 1HD1 ILE 27 1HD1 ILE 27 11.524 -3.076 4.253 211 2HD1 ILE 27 2HD1 ILE 27 10.053 -2.372 4.968 212 3HD1 ILE 27 3HD1 ILE 27 11.205 -1.331 4.097 213 H GLY 28 H GLY 28 12.427 -6.202 5.229 214 1HA GLY 28 1HA GLY 28 9.622 -6.932 4.760 215 2HA GLY 28 2HA GLY 28 10.601 -6.436 3.394 216 H THR 29 H THR 29 9.816 -8.843 2.914 217 HA THR 29 HA THR 29 12.036 -10.582 3.752 218 HB THR 29 HB THR 29 9.190 -11.572 3.308 219 HG1 THR 29 HG1 THR 29 8.809 -10.375 5.138 220 1HG2 THR 29 1HG2 THR 29 11.762 -12.617 4.438 221 2HG2 THR 29 2HG2 THR 29 10.299 -12.993 5.380 222 3HG2 THR 29 3HG2 THR 29 10.418 -13.505 3.679 223 H CYS 30 H CYS 30 11.217 -12.798 2.141 224 HA CYS 30 HA CYS 30 11.186 -11.653 -0.534 225 1HB CYS 30 1HB CYS 30 13.579 -12.126 0.382 226 2HB CYS 30 2HB CYS 30 13.174 -13.810 0.113 227 H GLY 31 H GLY 31 12.174 -14.987 0.122 228 1HA GLY 31 1HA GLY 31 9.399 -15.925 -0.232 229 2HA GLY 31 2HA GLY 31 10.677 -16.496 -1.287 230 H LEU 32 H LEU 32 12.852 -16.976 0.266 231 HA LEU 32 HA LEU 32 12.421 -19.386 1.398 232 1HB LEU 32 1HB LEU 32 14.581 -19.293 2.157 233 2HB LEU 32 2HB LEU 32 14.584 -18.126 0.849 234 HG LEU 32 HG LEU 32 14.054 -16.444 2.872 235 1HD1 LEU 32 1HD1 LEU 32 15.487 -17.098 4.823 236 2HD1 LEU 32 2HD1 LEU 32 13.987 -18.041 4.644 237 3HD1 LEU 32 3HD1 LEU 32 15.546 -18.746 4.152 238 1HD2 LEU 32 1HD2 LEU 32 16.756 -17.477 1.983 239 2HD2 LEU 32 2HD2 LEU 32 15.848 -16.085 1.345 240 3HD2 LEU 32 3HD2 LEU 32 16.529 -16.026 2.989 241 HA PRO 33 HA PRO 33 10.687 -18.840 5.317 242 1HB PRO 33 1HB PRO 33 12.063 -20.524 6.972 243 2HB PRO 33 2HB PRO 33 10.832 -21.075 5.852 244 1HG PRO 33 1HG PRO 33 13.771 -21.322 5.644 245 2HG PRO 33 2HG PRO 33 12.530 -22.213 4.784 246 1HD PRO 33 1HD PRO 33 14.130 -20.068 3.752 247 2HD PRO 33 2HD PRO 33 12.812 -20.881 2.932 248 H GLY 34 H GLY 34 10.786 -16.758 5.982 249 1HA GLY 34 1HA GLY 34 11.424 -15.167 7.465 250 2HA GLY 34 2HA GLY 34 12.627 -16.257 8.125 251 H THR 35 H THR 35 11.972 -14.513 4.994 252 HA THR 35 HA THR 35 14.804 -14.275 4.505 253 HB THR 35 HB THR 35 13.004 -12.695 2.804 254 HG1 THR 35 HG1 THR 35 11.865 -14.782 2.174 255 1HG2 THR 35 1HG2 THR 35 14.585 -13.516 1.367 256 2HG2 THR 35 2HG2 THR 35 15.129 -14.711 2.569 257 3HG2 THR 35 3HG2 THR 35 13.763 -15.090 1.494 258 H LYS 36 H LYS 36 15.798 -12.131 3.972 259 HA LYS 36 HA LYS 36 14.718 -10.075 5.770 260 1HB LYS 36 1HB LYS 36 17.562 -11.058 5.483 261 2HB LYS 36 2HB LYS 36 17.185 -9.483 6.151 262 1HG LYS 36 1HG LYS 36 16.414 -12.215 7.235 263 2HG LYS 36 2HG LYS 36 17.314 -10.945 8.041 264 1HD LYS 36 1HD LYS 36 14.421 -10.550 7.171 265 2HD LYS 36 2HD LYS 36 14.826 -11.262 8.720 266 1HE LYS 36 1HE LYS 36 16.388 -8.822 8.265 267 2HE LYS 36 2HE LYS 36 14.673 -8.498 8.104 268 1HZ LYS 36 1HZ LYS 36 15.382 -10.157 10.333 269 2HZ LYS 36 2HZ LYS 36 15.941 -8.625 10.419 270 3HZ LYS 36 3HZ LYS 36 14.340 -8.902 10.257 271 H CYS 37 H CYS 37 13.862 -8.573 4.416 272 HA CYS 37 HA CYS 37 15.315 -8.025 1.953 273 1HB CYS 37 1HB CYS 37 12.798 -8.530 2.048 274 2HB CYS 37 2HB CYS 37 12.617 -6.921 2.719 275 H CYS 38 H CYS 38 16.828 -6.406 2.115 276 HA CYS 38 HA CYS 38 16.220 -4.237 3.989 277 1HB CYS 38 1HB CYS 38 18.317 -5.848 4.226 278 2HB CYS 38 2HB CYS 38 19.005 -4.753 3.045 279 H LYS 39 H LYS 39 16.368 -2.092 3.181 280 HA LYS 39 HA LYS 39 17.013 -1.890 0.323 281 1HB LYS 39 1HB LYS 39 15.204 -0.006 0.411 282 2HB LYS 39 2HB LYS 39 14.727 -1.680 0.209 283 1HG LYS 39 1HG LYS 39 13.777 -1.814 2.309 284 2HG LYS 39 2HG LYS 39 14.995 -0.793 3.046 285 1HD LYS 39 1HD LYS 39 13.135 0.622 3.132 286 2HD LYS 39 2HD LYS 39 13.866 1.138 1.625 287 1HE LYS 39 1HE LYS 39 12.317 -0.223 0.316 288 2HE LYS 39 2HE LYS 39 11.705 -1.013 1.755 289 1HZ LYS 39 1HZ LYS 39 10.509 0.797 2.321 290 2HZ LYS 39 2HZ LYS 39 11.541 1.875 1.658 291 3HZ LYS 39 3HZ LYS 39 10.514 1.035 0.706 292 H LYS 40 H LYS 40 17.151 0.718 -0.134 293 HA LYS 40 HA LYS 40 19.473 1.490 1.252 294 1HB LYS 40 1HB LYS 40 19.418 3.441 -0.140 295 2HB LYS 40 2HB LYS 40 18.945 2.059 -1.107 296 1HG LYS 40 1HG LYS 40 16.578 3.200 0.137 297 2HG LYS 40 2HG LYS 40 17.474 4.476 -0.665 298 1HD LYS 40 1HD LYS 40 17.187 1.924 -2.207 299 2HD LYS 40 2HD LYS 40 15.707 2.827 -1.951 300 1HE LYS 40 1HE LYS 40 18.200 4.255 -2.934 301 2HE LYS 40 2HE LYS 40 17.203 3.358 -4.063 302 1HZ LYS 40 1HZ LYS 40 15.759 5.099 -2.301 303 2HZ LYS 40 2HZ LYS 40 16.745 5.863 -3.356 304 3HZ LYS 40 3HZ LYS 40 15.581 4.859 -3.906 305 HA PRO 41 HA PRO 41 17.666 3.450 4.661 306 1HB PRO 41 1HB PRO 41 19.865 4.740 5.644 307 2HB PRO 41 2HB PRO 41 19.527 3.049 5.956 308 1HG PRO 41 1HG PRO 41 21.523 4.233 4.125 309 2HG PRO 41 2HG PRO 41 21.451 2.604 4.765 310 1HD PRO 41 1HD PRO 41 20.725 3.441 2.120 311 2HD PRO 41 2HD PRO 41 20.544 1.835 2.797 Start of MODEL 4 1 H GLY 1 H GLY 1 1.884 0.000 0.829 2 1HA GLY 1 1HA GLY 1 1.394 -0.165 -2.082 3 2HA GLY 1 2HA GLY 1 2.535 0.976 -1.397 4 H ILE 2 H ILE 2 3.988 -0.330 -2.960 5 HA ILE 2 HA ILE 2 4.868 -2.629 -3.210 6 HB ILE 2 HB ILE 2 6.338 -0.248 -2.324 7 1HG1 ILE 2 1HG1 ILE 2 5.957 -1.870 -4.687 8 2HG1 ILE 2 2HG1 ILE 2 6.549 -0.227 -4.541 9 1HG2 ILE 2 1HG2 ILE 2 8.510 -1.445 -2.181 10 2HG2 ILE 2 2HG2 ILE 2 7.413 -1.792 -0.823 11 3HG2 ILE 2 3HG2 ILE 2 7.620 -2.986 -2.127 12 1HD1 ILE 2 1HD1 ILE 2 8.221 -1.810 -5.569 13 2HD1 ILE 2 2HD1 ILE 2 8.824 -1.010 -4.097 14 3HD1 ILE 2 3HD1 ILE 2 8.265 -2.698 -4.027 15 H GLY 3 H GLY 3 4.452 -4.490 -2.144 16 1HA GLY 3 1HA GLY 3 4.762 -4.502 0.784 17 2HA GLY 3 2HA GLY 3 3.819 -5.626 -0.174 18 H ASP 4 H ASP 4 5.195 -6.890 -1.925 19 HA ASP 4 HA ASP 4 7.898 -7.203 -1.580 20 1HB ASP 4 1HB ASP 4 8.213 -8.856 -0.014 21 2HB ASP 4 2HB ASP 4 6.724 -8.213 0.650 22 HD2 ASP 4 HD2 ASP 4 7.829 -10.845 0.742 23 HA PRO 5 HA PRO 5 7.110 -10.073 -4.829 24 1HB PRO 5 1HB PRO 5 8.713 -12.255 -4.459 25 2HB PRO 5 2HB PRO 5 9.302 -10.729 -5.086 26 1HG PRO 5 1HG PRO 5 9.667 -11.889 -2.392 27 2HG PRO 5 2HG PRO 5 10.576 -10.607 -3.167 28 1HD PRO 5 1HD PRO 5 8.571 -10.306 -1.138 29 2HD PRO 5 2HD PRO 5 9.396 -9.019 -1.995 30 H VAL 6 H VAL 6 7.218 -12.075 -1.920 31 HA VAL 6 HA VAL 6 5.266 -13.849 -3.032 32 HB VAL 6 HB VAL 6 6.895 -13.613 -0.561 33 1HG1 VAL 6 1HG1 VAL 6 4.146 -14.783 -0.626 34 2HG1 VAL 6 2HG1 VAL 6 5.414 -15.685 0.238 35 3HG1 VAL 6 3HG1 VAL 6 5.034 -14.011 0.710 36 1HG2 VAL 6 1HG2 VAL 6 6.211 -16.201 -1.886 37 2HG2 VAL 6 2HG2 VAL 6 7.202 -15.040 -2.801 38 3HG2 VAL 6 3HG2 VAL 6 7.756 -15.627 -1.214 39 H THR 7 H THR 7 5.230 -11.927 0.053 40 HA THR 7 HA THR 7 2.574 -12.013 0.547 41 HB THR 7 HB THR 7 4.887 -10.382 1.268 42 HG1 THR 7 HG1 THR 7 3.453 -10.401 3.245 43 1HG2 THR 7 1HG2 THR 7 3.503 -8.497 0.297 44 2HG2 THR 7 2HG2 THR 7 2.147 -9.011 1.330 45 3HG2 THR 7 3HG2 THR 7 3.647 -8.398 2.068 46 H CYS 8 H CYS 8 4.155 -10.323 -2.101 47 HA CYS 8 HA CYS 8 2.479 -8.330 -2.706 48 1HB CYS 8 1HB CYS 8 3.774 -8.300 -4.490 49 2HB CYS 8 2HB CYS 8 4.376 -9.897 -4.092 50 H LEU 9 H LEU 9 1.938 -11.868 -3.089 51 HA LEU 9 HA LEU 9 -0.498 -11.609 -4.493 52 1HB LEU 9 1HB LEU 9 0.058 -14.002 -2.824 53 2HB LEU 9 2HB LEU 9 -0.570 -13.882 -4.455 54 HG LEU 9 HG LEU 9 2.246 -13.022 -4.113 55 1HD1 LEU 9 1HD1 LEU 9 1.575 -15.970 -3.984 56 2HD1 LEU 9 2HD1 LEU 9 3.181 -15.205 -3.910 57 3HD1 LEU 9 3HD1 LEU 9 2.031 -14.989 -2.569 58 1HD2 LEU 9 1HD2 LEU 9 0.608 -14.521 -6.141 59 2HD2 LEU 9 2HD2 LEU 9 1.533 -13.010 -6.320 60 3HD2 LEU 9 3HD2 LEU 9 2.387 -14.566 -6.190 61 H LYS 10 H LYS 10 0.392 -11.950 -1.016 62 HA LYS 10 HA LYS 10 -2.261 -12.157 -0.110 63 1HB LYS 10 1HB LYS 10 0.181 -12.537 0.997 64 2HB LYS 10 2HB LYS 10 -0.202 -10.965 1.669 65 1HG LYS 10 1HG LYS 10 -1.079 -12.584 3.219 66 2HG LYS 10 2HG LYS 10 -2.465 -11.908 2.386 67 1HD LYS 10 1HD LYS 10 -2.603 -13.852 0.898 68 2HD LYS 10 2HD LYS 10 -1.093 -14.493 1.516 69 1HE LYS 10 1HE LYS 10 -2.688 -14.100 3.823 70 2HE LYS 10 2HE LYS 10 -3.801 -14.731 2.626 71 1HZ LYS 10 1HZ LYS 10 -2.894 -16.701 2.890 72 2HZ LYS 10 2HZ LYS 10 -1.413 -16.154 2.474 73 3HZ LYS 10 3HZ LYS 10 -1.885 -16.120 4.036 74 H SER 11 H SER 11 -0.438 -9.541 -1.450 75 HA SER 11 HA SER 11 -1.941 -7.547 -0.042 76 1HB SER 11 1HB SER 11 0.540 -7.423 -0.913 77 2HB SER 11 2HB SER 11 -0.185 -7.032 -2.459 78 HG SER 11 HG SER 11 -1.384 -5.289 -1.267 79 H GLY 12 H GLY 12 -2.791 -9.719 -2.331 80 1HA GLY 12 1HA GLY 12 -4.652 -9.776 -3.637 81 2HA GLY 12 2HA GLY 12 -4.912 -8.065 -3.363 82 H ALA 13 H ALA 13 -1.650 -8.643 -4.261 83 HA ALA 13 HA ALA 13 -2.174 -7.512 -6.874 84 1HB ALA 13 1HB ALA 13 -0.395 -6.631 -5.361 85 2HB ALA 13 2HB ALA 13 0.441 -8.198 -5.471 86 3HB ALA 13 3HB ALA 13 0.248 -7.189 -6.924 87 H ILE 14 H ILE 14 -1.434 -8.479 -8.866 88 HA ILE 14 HA ILE 14 -1.457 -11.392 -8.691 89 HB ILE 14 HB ILE 14 -1.762 -11.082 -11.239 90 1HG1 ILE 14 1HG1 ILE 14 -3.004 -8.454 -10.620 91 2HG1 ILE 14 2HG1 ILE 14 -1.256 -8.471 -10.740 92 1HG2 ILE 14 1HG2 ILE 14 -3.462 -11.912 -9.650 93 2HG2 ILE 14 2HG2 ILE 14 -3.966 -10.233 -9.341 94 3HG2 ILE 14 3HG2 ILE 14 -4.161 -10.936 -10.964 95 1HD1 ILE 14 1HD1 ILE 14 -1.947 -10.015 -12.925 96 2HD1 ILE 14 2HD1 ILE 14 -3.298 -8.857 -12.857 97 3HD1 ILE 14 3HD1 ILE 14 -1.624 -8.265 -12.986 98 H CYS 15 H CYS 15 0.029 -12.602 -10.197 99 HA CYS 15 HA CYS 15 2.621 -11.248 -10.179 100 1HB CYS 15 1HB CYS 15 1.777 -14.085 -9.786 101 2HB CYS 15 2HB CYS 15 3.337 -13.781 -10.524 102 H HIS 16 H HIS 16 3.338 -10.579 -12.171 103 HA HIS 16 HA HIS 16 2.823 -12.274 -14.449 104 1HB HIS 16 1HB HIS 16 2.114 -10.100 -15.722 105 2HB HIS 16 2HB HIS 16 0.931 -11.053 -14.849 106 HD1 HIS 16 HD1 HIS 16 2.693 -7.737 -14.802 107 HD2 HIS 16 HD2 HIS 16 -0.109 -9.840 -12.494 108 HE1 HIS 16 HE1 HIS 16 1.687 -6.043 -13.180 109 HE2 HIS 16 HE2 HIS 16 -0.066 -7.381 -11.826 110 HA PRO 17 HA PRO 17 6.937 -10.714 -14.707 111 1HB PRO 17 1HB PRO 17 7.940 -12.740 -16.243 112 2HB PRO 17 2HB PRO 17 7.896 -12.796 -14.492 113 1HG PRO 17 1HG PRO 17 6.173 -14.207 -16.436 114 2HG PRO 17 2HG PRO 17 6.431 -14.561 -14.739 115 1HD PRO 17 1HD PRO 17 4.141 -13.279 -15.896 116 2HD PRO 17 2HD PRO 17 4.452 -13.529 -14.190 117 H VAL 18 H VAL 18 6.067 -8.849 -15.817 118 HA VAL 18 HA VAL 18 7.258 -8.473 -18.244 119 HB VAL 18 HB VAL 18 4.883 -8.458 -19.518 120 1HG1 VAL 18 1HG1 VAL 18 7.302 -9.986 -19.575 121 2HG1 VAL 18 2HG1 VAL 18 5.937 -11.081 -19.898 122 3HG1 VAL 18 3HG1 VAL 18 6.173 -9.633 -20.905 123 1HG2 VAL 18 1HG2 VAL 18 3.401 -10.065 -18.894 124 2HG2 VAL 18 2HG2 VAL 18 4.666 -11.146 -18.262 125 3HG2 VAL 18 3HG2 VAL 18 4.108 -9.763 -17.289 126 H PHE 19 H PHE 19 3.860 -7.576 -18.239 127 HA PHE 19 HA PHE 19 4.608 -5.006 -17.032 128 1HB PHE 19 1HB PHE 19 2.718 -4.232 -18.739 129 2HB PHE 19 2HB PHE 19 4.324 -4.546 -19.365 130 HD1 PHE 19 HD1 PHE 19 0.912 -5.899 -19.076 131 HD2 PHE 19 HD2 PHE 19 4.733 -6.365 -20.862 132 HE1 PHE 19 HE1 PHE 19 -0.041 -7.580 -20.679 133 HE2 PHE 19 HE2 PHE 19 3.780 -8.046 -22.464 134 HZ PHE 19 HZ PHE 19 1.404 -8.633 -22.353 135 H CYS 20 H CYS 20 2.246 -3.736 -16.790 136 HA CYS 20 HA CYS 20 0.658 -5.627 -15.212 137 1HB CYS 20 1HB CYS 20 1.470 -4.156 -13.646 138 2HB CYS 20 2HB CYS 20 1.476 -2.794 -14.748 139 HA PRO 21 HA PRO 21 -2.086 -4.414 -18.530 140 1HB PRO 21 1HB PRO 21 -3.542 -6.726 -18.595 141 2HB PRO 21 2HB PRO 21 -2.099 -6.475 -19.557 142 1HG PRO 21 1HG PRO 21 -2.439 -8.109 -17.117 143 2HG PRO 21 2HG PRO 21 -1.160 -8.176 -18.313 144 1HD PRO 21 1HD PRO 21 -1.010 -6.996 -15.703 145 2HD PRO 21 2HD PRO 21 0.229 -6.961 -16.943 146 H ARG 22 H ARG 22 -4.607 -4.497 -18.775 147 HA ARG 22 HA ARG 22 -6.514 -3.888 -17.962 148 1HB ARG 22 1HB ARG 22 -5.421 -5.287 -15.495 149 2HB ARG 22 2HB ARG 22 -6.966 -4.464 -15.414 150 1HG ARG 22 1HG ARG 22 -7.460 -6.748 -15.988 151 2HG ARG 22 2HG ARG 22 -7.703 -5.817 -17.453 152 1HD ARG 22 1HD ARG 22 -4.922 -6.833 -17.092 153 2HD ARG 22 2HD ARG 22 -6.131 -8.088 -17.279 154 HE ARG 22 HE ARG 22 -5.271 -6.176 -19.321 155 1HH1 ARG 22 1HH1 ARG 22 -7.556 -7.365 -21.676 156 2HH1 ARG 22 2HH1 ARG 22 -6.150 -6.387 -21.420 157 1HH2 ARG 22 1HH2 ARG 22 -8.548 -8.462 -19.887 158 2HH2 ARG 22 2HH2 ARG 22 -7.882 -8.302 -18.296 159 H ARG 23 H ARG 23 -7.578 -2.452 -16.024 160 HA ARG 23 HA ARG 23 -6.077 -0.095 -16.029 161 1HB ARG 23 1HB ARG 23 -8.742 -1.006 -15.080 162 2HB ARG 23 2HB ARG 23 -8.066 0.281 -14.102 163 1HG ARG 23 1HG ARG 23 -7.770 1.710 -16.079 164 2HG ARG 23 2HG ARG 23 -8.244 0.405 -17.148 165 1HD ARG 23 1HD ARG 23 -10.310 1.424 -17.001 166 2HD ARG 23 2HD ARG 23 -10.448 0.442 -15.556 167 HE ARG 23 HE ARG 23 -9.189 2.728 -14.634 168 1HH1 ARG 23 1HH1 ARG 23 -11.868 4.945 -14.345 169 2HH1 ARG 23 2HH1 ARG 23 -10.256 4.581 -13.828 170 1HH2 ARG 23 1HH2 ARG 23 -12.946 3.549 -15.854 171 2HH2 ARG 23 2HH2 ARG 23 -12.137 2.145 -16.465 172 H TYR 24 H TYR 24 -5.204 -2.733 -14.476 173 HA TYR 24 HA TYR 24 -5.095 -1.906 -11.749 174 1HB TYR 24 1HB TYR 24 -4.612 -4.188 -13.457 175 2HB TYR 24 2HB TYR 24 -3.081 -3.856 -12.670 176 HD1 TYR 24 HD1 TYR 24 -6.184 -3.025 -10.909 177 HD2 TYR 24 HD2 TYR 24 -3.197 -6.029 -11.509 178 HE1 TYR 24 HE1 TYR 24 -6.986 -4.248 -8.829 179 HE2 TYR 24 HE2 TYR 24 -4.009 -7.241 -9.427 180 HH TYR 24 HH TYR 24 -5.415 -7.267 -7.796 181 H LYS 25 H LYS 25 -2.977 -1.692 -10.547 182 HA LYS 25 HA LYS 25 -0.723 -0.825 -12.093 183 1HB LYS 25 1HB LYS 25 -2.666 1.122 -11.152 184 2HB LYS 25 2HB LYS 25 -1.100 1.394 -10.416 185 1HG LYS 25 1HG LYS 25 -0.088 1.935 -12.421 186 2HG LYS 25 2HG LYS 25 -1.022 0.767 -13.334 187 1HD LYS 25 1HD LYS 25 -1.946 2.761 -14.128 188 2HD LYS 25 2HD LYS 25 -3.058 2.392 -12.824 189 1HE LYS 25 1HE LYS 25 -0.603 4.031 -12.179 190 2HE LYS 25 2HE LYS 25 -1.915 4.812 -13.041 191 1HZ LYS 25 1HZ LYS 25 -2.221 5.028 -10.702 192 2HZ LYS 25 2HZ LYS 25 -3.402 4.060 -11.281 193 3HZ LYS 25 3HZ LYS 25 -2.143 3.413 -10.466 194 H GLN 26 H GLN 26 1.185 -0.477 -10.709 195 HA GLN 26 HA GLN 26 1.221 -0.606 -8.019 196 1HB GLN 26 1HB GLN 26 0.062 -2.918 -8.590 197 2HB GLN 26 2HB GLN 26 1.694 -3.444 -8.952 198 1HG GLN 26 1HG GLN 26 0.465 -2.745 -6.320 199 2HG GLN 26 2HG GLN 26 1.681 -3.949 -6.696 200 1HE2 GLN 26 1HE2 GLN 26 3.763 -3.528 -6.381 201 2HE2 GLN 26 2HE2 GLN 26 4.434 -2.010 -5.884 202 H ILE 27 H ILE 27 3.346 -2.998 -8.238 203 HA ILE 27 HA ILE 27 5.285 -2.562 -10.011 204 HB ILE 27 HB ILE 27 6.773 -0.930 -8.547 205 1HG1 ILE 27 1HG1 ILE 27 4.460 0.793 -8.235 206 2HG1 ILE 27 2HG1 ILE 27 4.281 -0.659 -7.270 207 1HG2 ILE 27 1HG2 ILE 27 5.260 0.863 -10.096 208 2HG2 ILE 27 2HG2 ILE 27 6.752 0.008 -10.557 209 3HG2 ILE 27 3HG2 ILE 27 5.165 -0.706 -10.931 210 1HD1 ILE 27 1HD1 ILE 27 5.472 0.811 -5.845 211 2HD1 ILE 27 2HD1 ILE 27 6.749 -0.232 -6.517 212 3HD1 ILE 27 3HD1 ILE 27 6.502 1.406 -7.169 213 H GLY 28 H GLY 28 4.137 -4.488 -8.172 214 1HA GLY 28 1HA GLY 28 6.245 -4.982 -6.208 215 2HA GLY 28 2HA GLY 28 4.715 -5.821 -6.366 216 H THR 29 H THR 29 6.286 -7.736 -6.105 217 HA THR 29 HA THR 29 7.095 -8.589 -8.796 218 HB THR 29 HB THR 29 8.722 -9.129 -6.268 219 HG1 THR 29 HG1 THR 29 9.862 -7.222 -6.888 220 1HG2 THR 29 1HG2 THR 29 8.988 -9.651 -9.199 221 2HG2 THR 29 2HG2 THR 29 10.432 -8.952 -8.428 222 3HG2 THR 29 3HG2 THR 29 9.758 -10.487 -7.830 223 H CYS 30 H CYS 30 7.958 -11.153 -8.161 224 HA CYS 30 HA CYS 30 5.484 -12.273 -7.060 225 1HB CYS 30 1HB CYS 30 6.034 -12.540 -9.578 226 2HB CYS 30 2HB CYS 30 7.235 -13.700 -9.045 227 H GLY 31 H GLY 31 8.943 -13.163 -7.807 228 1HA GLY 31 1HA GLY 31 9.250 -14.052 -5.023 229 2HA GLY 31 2HA GLY 31 9.559 -15.191 -6.318 230 H LEU 32 H LEU 32 11.718 -15.413 -6.690 231 HA LEU 32 HA LEU 32 13.539 -13.367 -5.935 232 1HB LEU 32 1HB LEU 32 15.102 -14.951 -6.135 233 2HB LEU 32 2HB LEU 32 13.712 -16.017 -6.098 234 HG LEU 32 HG LEU 32 13.737 -16.012 -8.622 235 1HD1 LEU 32 1HD1 LEU 32 15.800 -14.039 -8.158 236 2HD1 LEU 32 2HD1 LEU 32 16.422 -15.393 -9.132 237 3HD1 LEU 32 3HD1 LEU 32 14.979 -14.500 -9.669 238 1HD2 LEU 32 1HD2 LEU 32 14.553 -17.942 -7.536 239 2HD2 LEU 32 2HD2 LEU 32 15.782 -17.514 -8.751 240 3HD2 LEU 32 3HD2 LEU 32 16.054 -17.126 -7.035 241 HA PRO 33 HA PRO 33 13.407 -12.805 -10.651 242 1HB PRO 33 1HB PRO 33 11.005 -13.262 -11.871 243 2HB PRO 33 2HB PRO 33 12.314 -14.427 -11.866 244 1HG PRO 33 1HG PRO 33 9.808 -14.448 -10.297 245 2HG PRO 33 2HG PRO 33 10.907 -15.773 -10.630 246 1HD PRO 33 1HD PRO 33 10.681 -14.305 -8.176 247 2HD PRO 33 2HD PRO 33 11.856 -15.550 -8.547 248 H GLY 34 H GLY 34 12.978 -10.886 -11.834 249 1HA GLY 34 1HA GLY 34 11.866 -8.874 -10.128 250 2HA GLY 34 2HA GLY 34 12.513 -8.673 -11.743 251 H THR 35 H THR 35 9.900 -10.952 -10.750 252 HA THR 35 HA THR 35 8.245 -10.399 -12.876 253 HB THR 35 HB THR 35 6.671 -11.111 -10.573 254 HG1 THR 35 HG1 THR 35 8.497 -12.977 -10.250 255 1HG2 THR 35 1HG2 THR 35 6.560 -13.272 -11.611 256 2HG2 THR 35 2HG2 THR 35 6.752 -12.146 -12.976 257 3HG2 THR 35 3HG2 THR 35 8.152 -13.070 -12.380 258 H LYS 36 H LYS 36 6.103 -9.337 -12.941 259 HA LYS 36 HA LYS 36 6.274 -6.791 -11.490 260 1HB LYS 36 1HB LYS 36 5.048 -7.467 -14.179 261 2HB LYS 36 2HB LYS 36 4.858 -5.923 -13.374 262 1HG LYS 36 1HG LYS 36 7.447 -7.190 -14.360 263 2HG LYS 36 2HG LYS 36 6.712 -5.700 -14.916 264 1HD LYS 36 1HD LYS 36 7.472 -5.957 -11.997 265 2HD LYS 36 2HD LYS 36 8.731 -5.648 -13.177 266 1HE LYS 36 1HE LYS 36 6.927 -3.781 -13.997 267 2HE LYS 36 2HE LYS 36 6.459 -3.881 -12.311 268 1HZ LYS 36 1HZ LYS 36 8.485 -2.423 -13.234 269 2HZ LYS 36 2HZ LYS 36 8.345 -2.918 -11.684 270 3HZ LYS 36 3HZ LYS 36 9.283 -3.754 -12.727 271 H CYS 37 H CYS 37 4.997 -6.790 -9.718 272 HA CYS 37 HA CYS 37 2.560 -8.377 -9.830 273 1HB CYS 37 1HB CYS 37 4.374 -8.404 -7.926 274 2HB CYS 37 2HB CYS 37 3.526 -6.977 -7.364 275 H CYS 38 H CYS 38 0.576 -7.369 -10.052 276 HA CYS 38 HA CYS 38 0.558 -4.465 -9.651 277 1HB CYS 38 1HB CYS 38 0.375 -5.481 -12.069 278 2HB CYS 38 2HB CYS 38 -1.284 -5.798 -11.602 279 H LYS 39 H LYS 39 -1.556 -3.618 -8.871 280 HA LYS 39 HA LYS 39 -3.455 -5.596 -7.950 281 1HB LYS 39 1HB LYS 39 -3.353 -4.898 -5.618 282 2HB LYS 39 2HB LYS 39 -1.822 -5.577 -6.132 283 1HG LYS 39 1HG LYS 39 -0.881 -3.681 -5.287 284 2HG LYS 39 2HG LYS 39 -1.466 -2.891 -6.737 285 1HD LYS 39 1HD LYS 39 -2.548 -1.510 -5.261 286 2HD LYS 39 2HD LYS 39 -3.741 -2.793 -5.216 287 1HE LYS 39 1HE LYS 39 -3.327 -3.117 -3.011 288 2HE LYS 39 2HE LYS 39 -1.661 -3.525 -3.372 289 1HZ LYS 39 1HZ LYS 39 -1.594 -0.893 -3.588 290 2HZ LYS 39 2HZ LYS 39 -2.760 -1.040 -2.454 291 3HZ LYS 39 3HZ LYS 39 -1.283 -1.686 -2.195 292 H LYS 40 H LYS 40 -5.254 -4.225 -6.616 293 HA LYS 40 HA LYS 40 -6.279 -2.432 -8.523 294 1HB LYS 40 1HB LYS 40 -8.196 -2.497 -7.281 295 2HB LYS 40 2HB LYS 40 -7.432 -3.972 -6.721 296 1HG LYS 40 1HG LYS 40 -6.323 -2.275 -4.932 297 2HG LYS 40 2HG LYS 40 -7.761 -1.340 -5.293 298 1HD LYS 40 1HD LYS 40 -8.029 -4.295 -4.676 299 2HD LYS 40 2HD LYS 40 -7.805 -3.160 -3.359 300 1HE LYS 40 1HE LYS 40 -9.789 -1.985 -5.029 301 2HE LYS 40 2HE LYS 40 -10.205 -3.685 -4.945 302 1HZ LYS 40 1HZ LYS 40 -9.974 -1.768 -2.766 303 2HZ LYS 40 2HZ LYS 40 -11.182 -2.819 -3.089 304 3HZ LYS 40 3HZ LYS 40 -9.777 -3.359 -2.455 305 HA PRO 41 HA PRO 41 -4.323 1.199 -7.205 306 1HB PRO 41 1HB PRO 41 -5.739 3.009 -8.683 307 2HB PRO 41 2HB PRO 41 -4.398 2.085 -9.329 308 1HG PRO 41 1HG PRO 41 -7.295 1.716 -9.789 309 2HG PRO 41 2HG PRO 41 -5.948 1.104 -10.727 310 1HD PRO 41 1HD PRO 41 -7.567 -0.377 -8.880 311 2HD PRO 41 2HD PRO 41 -6.149 -0.958 -9.731 Start of MODEL 5 1 H GLY 1 H GLY 1 1.884 0.000 0.829 2 1HA GLY 1 1HA GLY 1 3.134 -0.136 -1.036 3 2HA GLY 1 2HA GLY 1 1.759 -0.842 -1.863 4 H ILE 2 H ILE 2 2.782 0.530 -3.681 5 HA ILE 2 HA ILE 2 3.185 2.933 -4.190 6 HB ILE 2 HB ILE 2 1.199 1.146 -5.436 7 1HG1 ILE 2 1HG1 ILE 2 3.855 2.229 -5.944 8 2HG1 ILE 2 2HG1 ILE 2 3.101 0.765 -6.544 9 1HG2 ILE 2 1HG2 ILE 2 0.489 2.816 -7.093 10 2HG2 ILE 2 2HG2 ILE 2 -0.089 3.209 -5.456 11 3HG2 ILE 2 3HG2 ILE 2 1.294 4.091 -6.147 12 1HD1 ILE 2 1HD1 ILE 2 1.895 2.052 -8.279 13 2HD1 ILE 2 2HD1 ILE 2 2.584 3.566 -7.645 14 3HD1 ILE 2 3HD1 ILE 2 3.647 2.348 -8.389 15 H GLY 3 H GLY 3 2.832 4.794 -3.110 16 1HA GLY 3 1HA GLY 3 0.450 6.149 -3.065 17 2HA GLY 3 2HA GLY 3 0.448 5.213 -1.584 18 H ASP 4 H ASP 4 2.784 7.220 -3.528 19 HA ASP 4 HA ASP 4 3.532 8.447 -0.992 20 1HB ASP 4 1HB ASP 4 5.780 8.231 -1.459 21 2HB ASP 4 2HB ASP 4 5.212 6.845 -2.369 22 HD2 ASP 4 HD2 ASP 4 4.891 9.781 -4.631 23 HA PRO 5 HA PRO 5 3.257 12.253 -3.195 24 1HB PRO 5 1HB PRO 5 5.584 13.636 -2.820 25 2HB PRO 5 2HB PRO 5 4.334 13.515 -1.598 26 1HG PRO 5 1HG PRO 5 6.944 12.133 -1.721 27 2HG PRO 5 2HG PRO 5 5.886 12.360 -0.343 28 1HD PRO 5 1HD PRO 5 6.221 9.956 -1.871 29 2HD PRO 5 2HD PRO 5 5.080 10.219 -0.567 30 H VAL 6 H VAL 6 6.322 10.747 -3.994 31 HA VAL 6 HA VAL 6 6.215 12.002 -6.609 32 HB VAL 6 HB VAL 6 8.217 10.620 -4.923 33 1HG1 VAL 6 1HG1 VAL 6 8.636 9.106 -6.586 34 2HG1 VAL 6 2HG1 VAL 6 7.986 10.160 -7.866 35 3HG1 VAL 6 3HG1 VAL 6 9.608 10.466 -7.198 36 1HG2 VAL 6 1HG2 VAL 6 9.337 12.482 -6.768 37 2HG2 VAL 6 2HG2 VAL 6 7.818 13.176 -6.152 38 3HG2 VAL 6 3HG2 VAL 6 9.090 12.668 -5.015 39 H THR 7 H THR 7 6.962 8.608 -5.565 40 HA THR 7 HA THR 7 6.399 7.293 -7.817 41 HB THR 7 HB THR 7 6.431 6.746 -4.944 42 HG1 THR 7 HG1 THR 7 7.261 4.716 -6.007 43 1HG2 THR 7 1HG2 THR 7 5.220 4.493 -5.254 44 2HG2 THR 7 2HG2 THR 7 4.152 5.909 -5.107 45 3HG2 THR 7 3HG2 THR 7 4.469 5.196 -6.707 46 H CYS 8 H CYS 8 4.008 8.903 -5.746 47 HA CYS 8 HA CYS 8 1.705 7.741 -6.402 48 1HB CYS 8 1HB CYS 8 1.169 9.495 -5.146 49 2HB CYS 8 2HB CYS 8 2.538 10.437 -5.702 50 H LEU 9 H LEU 9 3.835 9.711 -8.501 51 HA LEU 9 HA LEU 9 1.926 9.767 -10.646 52 1HB LEU 9 1HB LEU 9 4.694 10.390 -11.310 53 2HB LEU 9 2HB LEU 9 3.234 11.337 -11.518 54 HG LEU 9 HG LEU 9 3.824 11.303 -8.730 55 1HD1 LEU 9 1HD1 LEU 9 6.038 12.148 -8.566 56 2HD1 LEU 9 2HD1 LEU 9 6.126 10.643 -9.512 57 3HD1 LEU 9 3HD1 LEU 9 6.218 12.218 -10.335 58 1HD2 LEU 9 1HD2 LEU 9 3.487 13.545 -8.897 59 2HD2 LEU 9 2HD2 LEU 9 4.433 13.696 -10.397 60 3HD2 LEU 9 3HD2 LEU 9 2.777 13.046 -10.451 61 H LYS 10 H LYS 10 4.983 8.021 -9.828 62 HA LYS 10 HA LYS 10 5.485 6.670 -12.078 63 1HB LYS 10 1HB LYS 10 6.495 6.543 -9.655 64 2HB LYS 10 2HB LYS 10 5.443 5.152 -9.484 65 1HG LYS 10 1HG LYS 10 7.456 4.214 -10.310 66 2HG LYS 10 2HG LYS 10 6.447 4.323 -11.739 67 1HD LYS 10 1HD LYS 10 7.567 6.359 -12.477 68 2HD LYS 10 2HD LYS 10 8.419 6.514 -10.953 69 1HE LYS 10 1HE LYS 10 9.103 3.926 -11.823 70 2HE LYS 10 2HE LYS 10 9.085 4.863 -13.304 71 1HZ LYS 10 1HZ LYS 10 11.010 4.873 -11.331 72 2HZ LYS 10 2HZ LYS 10 10.978 5.768 -12.696 73 3HZ LYS 10 3HZ LYS 10 10.332 6.358 -11.317 74 H SER 11 H SER 11 2.636 6.325 -10.004 75 HA SER 11 HA SER 11 0.926 5.423 -11.724 76 1HB SER 11 1HB SER 11 2.842 3.197 -11.166 77 2HB SER 11 2HB SER 11 1.146 2.757 -11.147 78 HG SER 11 HG SER 11 1.898 2.519 -13.277 79 H GLY 12 H GLY 12 1.000 6.735 -9.247 80 1HA GLY 12 1HA GLY 12 -0.263 4.863 -7.352 81 2HA GLY 12 2HA GLY 12 0.469 6.406 -6.959 82 H ALA 13 H ALA 13 -0.653 8.023 -9.070 83 HA ALA 13 HA ALA 13 -3.316 7.821 -9.540 84 1HB ALA 13 1HB ALA 13 -4.326 7.974 -7.534 85 2HB ALA 13 2HB ALA 13 -2.785 8.333 -6.717 86 3HB ALA 13 3HB ALA 13 -3.732 9.650 -7.449 87 H ILE 14 H ILE 14 -4.329 10.130 -9.900 88 HA ILE 14 HA ILE 14 -2.406 11.582 -11.392 89 HB ILE 14 HB ILE 14 -4.396 13.166 -11.655 90 1HG1 ILE 14 1HG1 ILE 14 -6.433 11.304 -11.038 91 2HG1 ILE 14 2HG1 ILE 14 -5.430 11.415 -9.605 92 1HG2 ILE 14 1HG2 ILE 14 -4.744 10.282 -12.514 93 2HG2 ILE 14 2HG2 ILE 14 -5.428 11.728 -13.294 94 3HG2 ILE 14 3HG2 ILE 14 -3.668 11.463 -13.299 95 1HD1 ILE 14 1HD1 ILE 14 -7.219 13.129 -9.570 96 2HD1 ILE 14 2HD1 ILE 14 -5.614 13.896 -9.645 97 3HD1 ILE 14 3HD1 ILE 14 -6.620 13.792 -11.110 98 H CYS 15 H CYS 15 -2.158 14.036 -11.124 99 HA CYS 15 HA CYS 15 -1.731 14.538 -8.274 100 1HB CYS 15 1HB CYS 15 -0.269 15.443 -10.740 101 2HB CYS 15 2HB CYS 15 -0.161 16.361 -9.252 102 H HIS 16 H HIS 16 -3.307 15.849 -7.417 103 HA HIS 16 HA HIS 16 -4.043 18.210 -8.897 104 1HB HIS 16 1HB HIS 16 -5.901 15.920 -8.416 105 2HB HIS 16 2HB HIS 16 -6.539 17.540 -8.214 106 HD1 HIS 16 HD1 HIS 16 -6.761 19.036 -10.344 107 HD2 HIS 16 HD2 HIS 16 -5.253 15.191 -11.078 108 HE1 HIS 16 HE1 HIS 16 -6.857 18.701 -12.872 109 HE2 HIS 16 HE2 HIS 16 -5.867 16.343 -13.267 110 HA PRO 17 HA PRO 17 -4.052 19.705 -4.837 111 1HB PRO 17 1HB PRO 17 -5.321 22.102 -5.174 112 2HB PRO 17 2HB PRO 17 -3.629 21.852 -5.553 113 1HG PRO 17 1HG PRO 17 -5.925 22.094 -7.398 114 2HG PRO 17 2HG PRO 17 -4.216 22.270 -7.743 115 1HD PRO 17 1HD PRO 17 -5.867 20.008 -8.362 116 2HD PRO 17 2HD PRO 17 -4.136 20.139 -8.602 117 H VAL 18 H VAL 18 -5.188 19.882 -2.888 118 HA VAL 18 HA VAL 18 -6.841 19.009 -1.637 119 HB VAL 18 HB VAL 18 -8.718 20.463 -1.552 120 1HG1 VAL 18 1HG1 VAL 18 -7.070 22.621 -2.513 121 2HG1 VAL 18 2HG1 VAL 18 -7.420 22.130 -0.839 122 3HG1 VAL 18 3HG1 VAL 18 -6.049 21.404 -1.711 123 1HG2 VAL 18 1HG2 VAL 18 -9.732 21.471 -3.301 124 2HG2 VAL 18 2HG2 VAL 18 -8.191 21.943 -4.058 125 3HG2 VAL 18 3HG2 VAL 18 -8.820 20.292 -4.274 126 H PHE 19 H PHE 19 -9.765 19.095 -2.509 127 HA PHE 19 HA PHE 19 -10.205 16.527 -3.056 128 1HB PHE 19 1HB PHE 19 -11.623 18.901 -4.405 129 2HB PHE 19 2HB PHE 19 -12.358 17.353 -4.041 130 HD1 PHE 19 HD1 PHE 19 -12.383 20.593 -3.054 131 HD2 PHE 19 HD2 PHE 19 -11.867 16.736 -1.361 132 HE1 PHE 19 HE1 PHE 19 -13.131 21.471 -0.824 133 HE2 PHE 19 HE2 PHE 19 -12.614 17.614 0.868 134 HZ PHE 19 HZ PHE 19 -13.238 19.971 1.110 135 H CYS 20 H CYS 20 -10.985 15.388 -5.080 136 HA CYS 20 HA CYS 20 -9.436 16.312 -7.390 137 1HB CYS 20 1HB CYS 20 -8.737 14.148 -7.900 138 2HB CYS 20 2HB CYS 20 -8.464 14.319 -6.178 139 HA PRO 21 HA PRO 21 -13.346 16.005 -9.310 140 1HB PRO 21 1HB PRO 21 -12.597 16.293 -11.923 141 2HB PRO 21 2HB PRO 21 -12.807 17.648 -10.831 142 1HG PRO 21 1HG PRO 21 -10.299 16.436 -11.821 143 2HG PRO 21 2HG PRO 21 -10.544 18.011 -11.093 144 1HD PRO 21 1HD PRO 21 -9.416 15.696 -9.832 145 2HD PRO 21 2HD PRO 21 -9.769 17.235 -9.073 146 H ARG 22 H ARG 22 -14.437 14.887 -11.356 147 HA ARG 22 HA ARG 22 -14.978 13.022 -12.310 148 1HB ARG 22 1HB ARG 22 -12.174 12.020 -11.600 149 2HB ARG 22 2HB ARG 22 -13.268 11.220 -12.710 150 1HG ARG 22 1HG ARG 22 -12.738 12.638 -14.411 151 2HG ARG 22 2HG ARG 22 -12.969 14.054 -13.405 152 1HD ARG 22 1HD ARG 22 -10.452 12.389 -13.754 153 2HD ARG 22 2HD ARG 22 -10.655 14.112 -13.995 154 HE ARG 22 HE ARG 22 -10.799 14.394 -11.554 155 1HH1 ARG 22 1HH1 ARG 22 -9.055 12.284 -9.391 156 2HH1 ARG 22 2HH1 ARG 22 -9.817 13.829 -9.570 157 1HH2 ARG 22 1HH2 ARG 22 -9.031 10.789 -11.166 158 2HH2 ARG 22 2HH2 ARG 22 -9.775 11.218 -12.669 159 H ARG 23 H ARG 23 -15.399 10.564 -11.815 160 HA ARG 23 HA ARG 23 -16.198 10.446 -9.109 161 1HB ARG 23 1HB ARG 23 -16.594 8.842 -11.595 162 2HB ARG 23 2HB ARG 23 -16.642 7.900 -10.118 163 1HG ARG 23 1HG ARG 23 -18.408 9.326 -9.187 164 2HG ARG 23 2HG ARG 23 -18.272 10.449 -10.525 165 1HD ARG 23 1HD ARG 23 -18.879 8.470 -12.078 166 2HD ARG 23 2HD ARG 23 -19.284 7.573 -10.628 167 HE ARG 23 HE ARG 23 -20.797 9.807 -11.784 168 1HH1 ARG 23 1HH1 ARG 23 -23.221 9.682 -9.276 169 2HH1 ARG 23 2HH1 ARG 23 -22.809 10.324 -10.831 170 1HH2 ARG 23 1HH2 ARG 23 -21.730 8.296 -8.161 171 2HH2 ARG 23 2HH2 ARG 23 -20.206 7.904 -8.883 172 H TYR 24 H TYR 24 -13.215 10.454 -9.892 173 HA TYR 24 HA TYR 24 -12.216 7.860 -9.330 174 1HB TYR 24 1HB TYR 24 -11.369 10.456 -10.198 175 2HB TYR 24 2HB TYR 24 -10.520 10.213 -8.684 176 HD1 TYR 24 HD1 TYR 24 -11.385 7.922 -11.539 177 HD2 TYR 24 HD2 TYR 24 -8.319 9.606 -9.074 178 HE1 TYR 24 HE1 TYR 24 -9.638 6.516 -12.737 179 HE2 TYR 24 HE2 TYR 24 -6.584 8.194 -10.281 180 HH TYR 24 HH TYR 24 -7.561 5.795 -12.677 181 H LYS 25 H LYS 25 -10.150 8.364 -7.463 182 HA LYS 25 HA LYS 25 -11.395 9.332 -5.051 183 1HB LYS 25 1HB LYS 25 -12.323 7.099 -5.105 184 2HB LYS 25 2HB LYS 25 -10.750 6.393 -5.417 185 1HG LYS 25 1HG LYS 25 -10.626 6.142 -3.150 186 2HG LYS 25 2HG LYS 25 -10.211 7.845 -3.133 187 1HD LYS 25 1HD LYS 25 -12.782 8.288 -3.054 188 2HD LYS 25 2HD LYS 25 -12.943 6.586 -2.667 189 1HE LYS 25 1HE LYS 25 -11.456 6.873 -0.690 190 2HE LYS 25 2HE LYS 25 -11.227 8.564 -1.090 191 1HZ LYS 25 1HZ LYS 25 -13.965 7.742 -0.898 192 2HZ LYS 25 2HZ LYS 25 -13.135 7.662 0.506 193 3HZ LYS 25 3HZ LYS 25 -13.233 9.076 -0.306 194 H GLN 26 H GLN 26 -9.856 10.525 -4.078 195 HA GLN 26 HA GLN 26 -7.106 9.828 -4.705 196 1HB GLN 26 1HB GLN 26 -6.700 12.055 -4.811 197 2HB GLN 26 2HB GLN 26 -8.440 12.267 -4.788 198 1HG GLN 26 1HG GLN 26 -6.686 12.142 -2.288 199 2HG GLN 26 2HG GLN 26 -7.239 13.629 -3.035 200 1HE2 GLN 26 1HE2 GLN 26 -7.732 12.320 -0.391 201 2HE2 GLN 26 2HE2 GLN 26 -9.452 12.276 -0.190 202 H ILE 27 H ILE 27 -5.473 9.850 -2.966 203 HA ILE 27 HA ILE 27 -6.210 10.085 -0.268 204 HB ILE 27 HB ILE 27 -5.689 7.501 0.086 205 1HG1 ILE 27 1HG1 ILE 27 -7.498 7.198 -2.263 206 2HG1 ILE 27 2HG1 ILE 27 -5.794 7.428 -2.598 207 1HG2 ILE 27 1HG2 ILE 27 -7.867 9.193 0.392 208 2HG2 ILE 27 2HG2 ILE 27 -8.523 7.810 -0.517 209 3HG2 ILE 27 3HG2 ILE 27 -7.701 7.543 1.039 210 1HD1 ILE 27 1HD1 ILE 27 -5.157 5.456 -1.467 211 2HD1 ILE 27 2HD1 ILE 27 -6.652 5.416 -0.501 212 3HD1 ILE 27 3HD1 ILE 27 -6.697 4.991 -2.228 213 H GLY 28 H GLY 28 -4.183 10.724 -2.469 214 1HA GLY 28 1HA GLY 28 -1.810 9.972 -0.885 215 2HA GLY 28 2HA GLY 28 -1.828 9.762 -2.624 216 H THR 29 H THR 29 0.085 11.297 -2.453 217 HA THR 29 HA THR 29 -0.920 14.053 -2.619 218 HB THR 29 HB THR 29 1.763 13.329 -1.367 219 HG1 THR 29 HG1 THR 29 0.602 13.055 0.565 220 1HG2 THR 29 1HG2 THR 29 0.752 15.482 -0.017 221 2HG2 THR 29 2HG2 THR 29 1.763 15.653 -1.472 222 3HG2 THR 29 3HG2 THR 29 -0.010 15.743 -1.605 223 H CYS 30 H CYS 30 1.498 15.278 -3.316 224 HA CYS 30 HA CYS 30 2.384 13.773 -5.644 225 1HB CYS 30 1HB CYS 30 0.428 15.414 -6.141 226 2HB CYS 30 2HB CYS 30 1.638 16.667 -5.955 227 H GLY 31 H GLY 31 2.878 17.264 -5.205 228 1HA GLY 31 1HA GLY 31 5.491 16.775 -3.931 229 2HA GLY 31 2HA GLY 31 5.396 17.673 -5.433 230 H LEU 32 H LEU 32 3.226 19.316 -5.227 231 HA LEU 32 HA LEU 32 4.086 21.426 -3.757 232 1HB LEU 32 1HB LEU 32 2.121 22.465 -4.319 233 2HB LEU 32 2HB LEU 32 2.274 21.233 -5.557 234 HG LEU 32 HG LEU 32 0.769 19.864 -3.789 235 1HD1 LEU 32 1HD1 LEU 32 0.583 21.557 -2.120 236 2HD1 LEU 32 2HD1 LEU 32 0.102 22.779 -3.322 237 3HD1 LEU 32 3HD1 LEU 32 -0.995 21.431 -2.934 238 1HD2 LEU 32 1HD2 LEU 32 -0.154 21.801 -5.923 239 2HD2 LEU 32 2HD2 LEU 32 0.188 20.062 -6.092 240 3HD2 LEU 32 3HD2 LEU 32 -1.214 20.605 -5.139 241 HA PRO 33 HA PRO 33 2.936 20.808 0.361 242 1HB PRO 33 1HB PRO 33 1.865 23.180 1.194 243 2HB PRO 33 2HB PRO 33 3.588 22.918 1.014 244 1HG PRO 33 1HG PRO 33 1.752 24.438 -0.735 245 2HG PRO 33 2HG PRO 33 3.501 24.511 -0.651 246 1HD PRO 33 1HD PRO 33 1.933 23.193 -2.659 247 2HD PRO 33 2HD PRO 33 3.679 23.169 -2.509 248 H GLY 34 H GLY 34 1.541 19.155 0.642 249 1HA GLY 34 1HA GLY 34 -0.449 18.302 1.310 250 2HA GLY 34 2HA GLY 34 -1.144 19.911 1.307 251 H THR 35 H THR 35 0.208 17.540 -1.106 252 HA THR 35 HA THR 35 -1.639 18.497 -3.107 253 HB THR 35 HB THR 35 -0.169 16.040 -3.732 254 HG1 THR 35 HG1 THR 35 1.938 17.240 -3.322 255 1HG2 THR 35 1HG2 THR 35 1.137 18.259 -4.894 256 2HG2 THR 35 2HG2 THR 35 -0.130 17.273 -5.663 257 3HG2 THR 35 3HG2 THR 35 -0.567 18.762 -4.789 258 H LYS 36 H LYS 36 -2.730 16.604 -4.470 259 HA LYS 36 HA LYS 36 -3.922 14.684 -2.630 260 1HB LYS 36 1HB LYS 36 -5.451 16.776 -4.191 261 2HB LYS 36 2HB LYS 36 -6.195 15.296 -3.619 262 1HG LYS 36 1HG LYS 36 -4.918 17.498 -1.946 263 2HG LYS 36 2HG LYS 36 -6.591 16.979 -1.929 264 1HD LYS 36 1HD LYS 36 -4.386 15.013 -1.235 265 2HD LYS 36 2HD LYS 36 -4.957 16.149 -0.029 266 1HE LYS 36 1HE LYS 36 -7.231 14.906 -1.380 267 2HE LYS 36 2HE LYS 36 -6.151 13.668 -0.769 268 1HZ LYS 36 1HZ LYS 36 -7.821 14.464 0.833 269 2HZ LYS 36 2HZ LYS 36 -6.289 14.598 1.381 270 3HZ LYS 36 3HZ LYS 36 -7.088 15.923 0.861 271 H CYS 37 H CYS 37 -3.226 12.823 -3.568 272 HA CYS 37 HA CYS 37 -3.173 12.707 -6.463 273 1HB CYS 37 1HB CYS 37 -1.330 11.870 -4.809 274 2HB CYS 37 2HB CYS 37 -2.355 10.458 -4.652 275 H CYS 38 H CYS 38 -4.903 11.860 -7.574 276 HA CYS 38 HA CYS 38 -6.834 10.331 -6.007 277 1HB CYS 38 1HB CYS 38 -7.302 12.508 -7.487 278 2HB CYS 38 2HB CYS 38 -7.465 11.303 -8.750 279 H LYS 39 H LYS 39 -7.178 8.161 -6.497 280 HA LYS 39 HA LYS 39 -5.727 7.147 -8.842 281 1HB LYS 39 1HB LYS 39 -5.305 5.122 -7.639 282 2HB LYS 39 2HB LYS 39 -4.787 6.465 -6.640 283 1HG LYS 39 1HG LYS 39 -6.056 5.528 -4.996 284 2HG LYS 39 2HG LYS 39 -7.438 6.176 -5.857 285 1HD LYS 39 1HD LYS 39 -8.120 3.983 -5.883 286 2HD LYS 39 2HD LYS 39 -7.077 3.883 -7.288 287 1HE LYS 39 1HE LYS 39 -5.380 2.758 -6.136 288 2HE LYS 39 2HE LYS 39 -5.789 3.486 -4.595 289 1HZ LYS 39 1HZ LYS 39 -6.518 1.027 -5.419 290 2HZ LYS 39 2HZ LYS 39 -7.167 1.833 -4.156 291 3HZ LYS 39 3HZ LYS 39 -7.893 1.885 -5.618 292 H LYS 40 H LYS 40 -6.753 4.851 -9.472 293 HA LYS 40 HA LYS 40 -9.336 5.460 -10.400 294 1HB LYS 40 1HB LYS 40 -9.240 3.372 -11.498 295 2HB LYS 40 2HB LYS 40 -7.601 3.991 -11.503 296 1HG LYS 40 1HG LYS 40 -6.927 2.520 -9.710 297 2HG LYS 40 2HG LYS 40 -8.585 2.113 -9.317 298 1HD LYS 40 1HD LYS 40 -7.809 0.230 -10.544 299 2HD LYS 40 2HD LYS 40 -8.759 1.130 -11.709 300 1HE LYS 40 1HE LYS 40 -6.729 2.133 -12.676 301 2HE LYS 40 2HE LYS 40 -5.731 1.416 -11.427 302 1HZ LYS 40 1HZ LYS 40 -5.577 0.012 -13.249 303 2HZ LYS 40 2HZ LYS 40 -6.619 -0.766 -12.260 304 3HZ LYS 40 3HZ LYS 40 -7.179 0.039 -13.566 305 HA PRO 41 HA PRO 41 -11.676 4.147 -7.007 306 1HB PRO 41 1HB PRO 41 -14.150 4.080 -8.167 307 2HB PRO 41 2HB PRO 41 -13.407 5.554 -7.578 308 1HG PRO 41 1HG PRO 41 -13.739 4.631 -10.367 309 2HG PRO 41 2HG PRO 41 -13.399 6.247 -9.778 310 1HD PRO 41 1HD PRO 41 -11.530 4.427 -10.971 311 2HD PRO 41 2HD PRO 41 -11.169 5.995 -10.277 Start of MODEL 6 1 H GLY 1 H GLY 1 1.884 0.000 0.829 2 1HA GLY 1 1HA GLY 1 3.130 0.168 -1.039 3 2HA GLY 1 2HA GLY 1 1.993 -0.977 -1.722 4 H ILE 2 H ILE 2 3.167 0.814 -3.449 5 HA ILE 2 HA ILE 2 1.932 3.269 -3.745 6 HB ILE 2 HB ILE 2 3.370 1.372 -5.544 7 1HG1 ILE 2 1HG1 ILE 2 3.953 3.756 -3.987 8 2HG1 ILE 2 2HG1 ILE 2 5.042 2.564 -4.670 9 1HG2 ILE 2 1HG2 ILE 2 1.966 3.886 -6.489 10 2HG2 ILE 2 2HG2 ILE 2 3.174 2.966 -7.417 11 3HG2 ILE 2 3HG2 ILE 2 1.618 2.214 -6.992 12 1HD1 ILE 2 1HD1 ILE 2 5.417 4.848 -5.617 13 2HD1 ILE 2 2HD1 ILE 2 4.952 3.672 -6.870 14 3HD1 ILE 2 3HD1 ILE 2 3.755 4.836 -6.254 15 H GLY 3 H GLY 3 -0.260 3.489 -3.584 16 1HA GLY 3 1HA GLY 3 -2.265 3.572 -4.815 17 2HA GLY 3 2HA GLY 3 -1.849 2.067 -5.610 18 H ASP 4 H ASP 4 -2.469 3.401 -2.286 19 HA ASP 4 HA ASP 4 -3.603 0.803 -1.633 20 1HB ASP 4 1HB ASP 4 -3.293 2.788 0.548 21 2HB ASP 4 2HB ASP 4 -2.842 1.095 0.515 22 HD2 ASP 4 HD2 ASP 4 -0.420 2.936 -1.756 23 HA PRO 5 HA PRO 5 -7.457 2.763 -0.748 24 1HB PRO 5 1HB PRO 5 -8.141 2.281 1.853 25 2HB PRO 5 2HB PRO 5 -8.295 1.083 0.584 26 1HG PRO 5 1HG PRO 5 -6.270 1.259 2.731 27 2HG PRO 5 2HG PRO 5 -6.699 -0.119 1.737 28 1HD PRO 5 1HD PRO 5 -4.380 1.545 1.456 29 2HD PRO 5 2HD PRO 5 -4.868 0.241 0.393 30 H VAL 6 H VAL 6 -6.765 3.442 2.580 31 HA VAL 6 HA VAL 6 -7.477 6.138 2.243 32 HB VAL 6 HB VAL 6 -6.542 4.342 4.384 33 1HG1 VAL 6 1HG1 VAL 6 -5.908 7.294 4.403 34 2HG1 VAL 6 2HG1 VAL 6 -6.222 6.403 5.911 35 3HG1 VAL 6 3HG1 VAL 6 -4.873 5.919 4.856 36 1HG2 VAL 6 1HG2 VAL 6 -8.354 6.484 5.138 37 2HG2 VAL 6 2HG2 VAL 6 -8.900 5.672 3.651 38 3HG2 VAL 6 3HG2 VAL 6 -8.614 4.723 5.130 39 H THR 7 H THR 7 -4.265 4.589 2.969 40 HA THR 7 HA THR 7 -2.668 6.760 2.930 41 HB THR 7 HB THR 7 -2.454 3.868 2.333 42 HG1 THR 7 HG1 THR 7 -0.963 4.244 3.984 43 1HG2 THR 7 1HG2 THR 7 -0.257 3.944 1.303 44 2HG2 THR 7 2HG2 THR 7 -1.319 4.931 0.270 45 3HG2 THR 7 3HG2 THR 7 -0.203 5.720 1.411 46 H CYS 8 H CYS 8 -4.373 5.356 0.154 47 HA CYS 8 HA CYS 8 -2.898 6.470 -1.876 48 1HB CYS 8 1HB CYS 8 -5.265 5.042 -1.644 49 2HB CYS 8 2HB CYS 8 -5.776 6.556 -2.363 50 H LEU 9 H LEU 9 -5.604 7.819 0.118 51 HA LEU 9 HA LEU 9 -5.681 10.288 -1.247 52 1HB LEU 9 1HB LEU 9 -6.567 10.141 1.571 53 2HB LEU 9 2HB LEU 9 -7.363 10.817 0.165 54 HG LEU 9 HG LEU 9 -7.097 7.834 0.550 55 1HD1 LEU 9 1HD1 LEU 9 -8.305 8.135 2.436 56 2HD1 LEU 9 2HD1 LEU 9 -8.902 9.736 1.938 57 3HD1 LEU 9 3HD1 LEU 9 -9.650 8.261 1.278 58 1HD2 LEU 9 1HD2 LEU 9 -7.921 7.890 -1.525 59 2HD2 LEU 9 2HD2 LEU 9 -9.458 8.366 -0.765 60 3HD2 LEU 9 3HD2 LEU 9 -8.359 9.611 -1.405 61 H LYS 10 H LYS 10 -3.742 8.950 1.415 62 HA LYS 10 HA LYS 10 -2.839 11.309 2.534 63 1HB LYS 10 1HB LYS 10 -2.497 8.724 3.099 64 2HB LYS 10 2HB LYS 10 -0.979 8.984 2.266 65 1HG LYS 10 1HG LYS 10 -0.524 9.476 4.564 66 2HG LYS 10 2HG LYS 10 -0.624 11.036 3.773 67 1HD LYS 10 1HD LYS 10 -2.928 11.358 4.560 68 2HD LYS 10 2HD LYS 10 -2.985 9.728 5.200 69 1HE LYS 10 1HE LYS 10 -0.700 10.796 6.423 70 2HE LYS 10 2HE LYS 10 -1.794 12.164 6.379 71 1HZ LYS 10 1HZ LYS 10 -3.430 10.892 7.496 72 2HZ LYS 10 2HZ LYS 10 -2.560 9.514 7.385 73 3HZ LYS 10 3HZ LYS 10 -2.040 10.733 8.339 74 H SER 11 H SER 11 -2.313 9.976 -0.635 75 HA SER 11 HA SER 11 -0.063 11.796 -0.974 76 1HB SER 11 1HB SER 11 -0.893 9.337 -2.574 77 2HB SER 11 2HB SER 11 0.393 10.421 -3.066 78 HG SER 11 HG SER 11 1.698 9.360 -1.757 79 H GLY 12 H GLY 12 -3.156 12.206 -1.015 80 1HA GLY 12 1HA GLY 12 -4.475 13.690 -2.101 81 2HA GLY 12 2HA GLY 12 -3.182 14.009 -3.239 82 H ALA 13 H ALA 13 -3.736 10.626 -2.913 83 HA ALA 13 HA ALA 13 -4.816 10.521 -5.568 84 1HB ALA 13 1HB ALA 13 -4.533 8.148 -3.731 85 2HB ALA 13 2HB ALA 13 -4.239 8.266 -5.483 86 3HB ALA 13 3HB ALA 13 -3.074 8.970 -4.335 87 H ILE 14 H ILE 14 -6.913 10.059 -6.187 88 HA ILE 14 HA ILE 14 -8.861 10.109 -4.024 89 HB ILE 14 HB ILE 14 -10.425 10.374 -6.065 90 1HG1 ILE 14 1HG1 ILE 14 -8.128 11.575 -7.507 91 2HG1 ILE 14 2HG1 ILE 14 -8.197 9.824 -7.518 92 1HG2 ILE 14 1HG2 ILE 14 -10.108 12.152 -4.517 93 2HG2 ILE 14 2HG2 ILE 14 -8.469 12.484 -5.127 94 3HG2 ILE 14 3HG2 ILE 14 -9.886 12.831 -6.147 95 1HD1 ILE 14 1HD1 ILE 14 -9.963 11.785 -8.854 96 2HD1 ILE 14 2HD1 ILE 14 -9.648 10.080 -9.258 97 3HD1 ILE 14 3HD1 ILE 14 -10.847 10.491 -8.008 98 H CYS 15 H CYS 15 -10.710 8.597 -4.064 99 HA CYS 15 HA CYS 15 -9.807 6.001 -5.059 100 1HB CYS 15 1HB CYS 15 -11.562 6.790 -2.740 101 2HB CYS 15 2HB CYS 15 -11.570 5.161 -3.386 102 H HIS 16 H HIS 16 -10.860 5.286 -6.878 103 HA HIS 16 HA HIS 16 -13.688 5.890 -7.118 104 1HB HIS 16 1HB HIS 16 -13.070 6.329 -9.666 105 2HB HIS 16 2HB HIS 16 -13.148 7.616 -8.479 106 HD1 HIS 16 HD1 HIS 16 -10.767 5.751 -10.676 107 HD2 HIS 16 HD2 HIS 16 -10.605 8.661 -7.659 108 HE1 HIS 16 HE1 HIS 16 -8.417 6.741 -10.763 109 HE2 HIS 16 HE2 HIS 16 -8.395 8.560 -8.923 110 HA PRO 17 HA PRO 17 -13.136 1.643 -8.143 111 1HB PRO 17 1HB PRO 17 -15.705 0.863 -7.634 112 2HB PRO 17 2HB PRO 17 -14.456 0.908 -6.405 113 1HG PRO 17 1HG PRO 17 -16.709 2.775 -6.828 114 2HG PRO 17 2HG PRO 17 -15.722 2.551 -5.397 115 1HD PRO 17 1HD PRO 17 -15.536 4.697 -7.290 116 2HD PRO 17 2HD PRO 17 -14.476 4.409 -5.925 117 H VAL 18 H VAL 18 -12.647 2.443 -10.322 118 HA VAL 18 HA VAL 18 -14.196 1.171 -12.177 119 HB VAL 18 HB VAL 18 -15.085 3.502 -13.188 120 1HG1 VAL 18 1HG1 VAL 18 -16.202 1.179 -11.948 121 2HG1 VAL 18 2HG1 VAL 18 -17.150 2.597 -11.440 122 3HG1 VAL 18 3HG1 VAL 18 -16.927 2.249 -13.171 123 1HG2 VAL 18 1HG2 VAL 18 -15.934 3.906 -10.359 124 2HG2 VAL 18 2HG2 VAL 18 -14.295 4.442 -10.802 125 3HG2 VAL 18 3HG2 VAL 18 -15.708 5.087 -11.671 126 H PHE 19 H PHE 19 -13.545 4.502 -13.058 127 HA PHE 19 HA PHE 19 -11.001 3.601 -14.213 128 1HB PHE 19 1HB PHE 19 -12.990 5.803 -15.034 129 2HB PHE 19 2HB PHE 19 -11.539 5.394 -15.928 130 HD1 PHE 19 HD1 PHE 19 -11.391 2.813 -16.607 131 HD2 PHE 19 HD2 PHE 19 -14.984 4.907 -15.762 132 HE1 PHE 19 HE1 PHE 19 -12.688 1.127 -17.940 133 HE2 PHE 19 HE2 PHE 19 -16.281 3.221 -17.095 134 HZ PHE 19 HZ PHE 19 -15.117 1.352 -18.168 135 H CYS 20 H CYS 20 -9.810 5.938 -14.929 136 HA CYS 20 HA CYS 20 -9.608 7.357 -12.372 137 1HB CYS 20 1HB CYS 20 -7.556 6.389 -12.475 138 2HB CYS 20 2HB CYS 20 -7.547 6.297 -14.225 139 HA PRO 21 HA PRO 21 -11.012 10.346 -15.440 140 1HB PRO 21 1HB PRO 21 -12.750 11.693 -13.817 141 2HB PRO 21 2HB PRO 21 -13.232 10.346 -14.828 142 1HG PRO 21 1HG PRO 21 -12.816 10.411 -11.902 143 2HG PRO 21 2HG PRO 21 -13.688 9.231 -12.861 144 1HD PRO 21 1HD PRO 21 -11.072 8.924 -11.727 145 2HD PRO 21 2HD PRO 21 -11.896 7.793 -12.781 146 H ARG 22 H ARG 22 -11.091 12.832 -15.441 147 HA ARG 22 HA ARG 22 -10.157 14.728 -14.938 148 1HB ARG 22 1HB ARG 22 -8.796 13.472 -12.507 149 2HB ARG 22 2HB ARG 22 -9.107 15.176 -12.776 150 1HG ARG 22 1HG ARG 22 -11.251 13.026 -12.424 151 2HG ARG 22 2HG ARG 22 -10.754 14.169 -11.192 152 1HD ARG 22 1HD ARG 22 -12.536 15.380 -12.024 153 2HD ARG 22 2HD ARG 22 -11.330 15.944 -13.163 154 HE ARG 22 HE ARG 22 -12.372 13.555 -14.251 155 1HH1 ARG 22 1HH1 ARG 22 -15.082 14.908 -15.985 156 2HH1 ARG 22 2HH1 ARG 22 -14.022 13.547 -15.832 157 1HH2 ARG 22 1HH2 ARG 22 -14.825 16.741 -14.585 158 2HH2 ARG 22 2HH2 ARG 22 -13.574 16.747 -13.386 159 H ARG 23 H ARG 23 -7.837 15.776 -14.783 160 HA ARG 23 HA ARG 23 -6.232 14.398 -16.599 161 1HB ARG 23 1HB ARG 23 -6.207 17.003 -15.176 162 2HB ARG 23 2HB ARG 23 -4.598 16.386 -15.495 163 1HG ARG 23 1HG ARG 23 -5.097 16.166 -17.896 164 2HG ARG 23 2HG ARG 23 -6.774 16.599 -17.627 165 1HD ARG 23 1HD ARG 23 -5.823 18.640 -18.353 166 2HD ARG 23 2HD ARG 23 -5.838 18.825 -16.610 167 HE ARG 23 HE ARG 23 -3.364 17.593 -17.416 168 1HH1 ARG 23 1HH1 ARG 23 -1.508 20.548 -17.479 169 2HH1 ARG 23 2HH1 ARG 23 -1.435 18.818 -17.443 170 1HH2 ARG 23 1HH2 ARG 23 -3.565 21.622 -17.498 171 2HH2 ARG 23 2HH2 ARG 23 -5.027 20.694 -17.477 172 H TYR 24 H TYR 24 -6.789 13.457 -13.573 173 HA TYR 24 HA TYR 24 -4.148 13.299 -12.484 174 1HB TYR 24 1HB TYR 24 -6.927 12.912 -11.777 175 2HB TYR 24 2HB TYR 24 -6.152 11.361 -11.522 176 HD1 TYR 24 HD1 TYR 24 -4.413 14.603 -11.073 177 HD2 TYR 24 HD2 TYR 24 -6.363 11.328 -9.131 178 HE1 TYR 24 HE1 TYR 24 -3.537 15.405 -8.825 179 HE2 TYR 24 HE2 TYR 24 -5.481 12.141 -6.889 180 HH TYR 24 HH TYR 24 -3.207 14.818 -6.712 181 H LYS 25 H LYS 25 -3.158 11.146 -11.872 182 HA LYS 25 HA LYS 25 -3.891 8.909 -13.513 183 1HB LYS 25 1HB LYS 25 -1.615 8.772 -14.583 184 2HB LYS 25 2HB LYS 25 -2.672 10.020 -15.211 185 1HG LYS 25 1HG LYS 25 -1.208 11.654 -14.628 186 2HG LYS 25 2HG LYS 25 -1.152 11.089 -12.970 187 1HD LYS 25 1HD LYS 25 0.379 9.625 -15.150 188 2HD LYS 25 2HD LYS 25 1.055 11.056 -14.397 189 1HE LYS 25 1HE LYS 25 1.359 10.013 -12.338 190 2HE LYS 25 2HE LYS 25 -0.034 8.968 -12.535 191 1HZ LYS 25 1HZ LYS 25 2.220 7.921 -12.731 192 2HZ LYS 25 2HZ LYS 25 1.163 7.565 -13.924 193 3HZ LYS 25 3HZ LYS 25 2.360 8.644 -14.189 194 H GLN 26 H GLN 26 -2.779 6.947 -12.842 195 HA GLN 26 HA GLN 26 -0.767 6.886 -10.997 196 1HB GLN 26 1HB GLN 26 -2.413 8.036 -9.490 197 2HB GLN 26 2HB GLN 26 -3.497 6.670 -9.654 198 1HG GLN 26 1HG GLN 26 -2.100 6.566 -7.566 199 2HG GLN 26 2HG GLN 26 -1.891 5.166 -8.598 200 1HE2 GLN 26 1HE2 GLN 26 0.114 4.695 -7.759 201 2HE2 GLN 26 2HE2 GLN 26 1.542 5.607 -8.116 202 H ILE 27 H ILE 27 -3.981 5.206 -10.810 203 HA ILE 27 HA ILE 27 -4.593 3.201 -11.605 204 HB ILE 27 HB ILE 27 -1.772 2.624 -12.478 205 1HG1 ILE 27 1HG1 ILE 27 -3.489 3.589 -14.607 206 2HG1 ILE 27 2HG1 ILE 27 -3.307 4.809 -13.363 207 1HG2 ILE 27 1HG2 ILE 27 -2.793 1.104 -14.023 208 2HG2 ILE 27 2HG2 ILE 27 -3.447 0.774 -12.401 209 3HG2 ILE 27 3HG2 ILE 27 -4.423 1.672 -13.588 210 1HD1 ILE 27 1HD1 ILE 27 -1.473 4.313 -15.377 211 2HD1 ILE 27 2HD1 ILE 27 -1.104 5.156 -13.853 212 3HD1 ILE 27 3HD1 ILE 27 -0.773 3.414 -14.009 213 H GLY 28 H GLY 28 -4.371 3.592 -9.002 214 1HA GLY 28 1HA GLY 28 -3.007 1.157 -8.036 215 2HA GLY 28 2HA GLY 28 -2.850 2.685 -7.193 216 H THR 29 H THR 29 -4.341 -0.159 -6.864 217 HA THR 29 HA THR 29 -7.047 0.238 -6.680 218 HB THR 29 HB THR 29 -5.458 -1.331 -4.612 219 HG1 THR 29 HG1 THR 29 -5.853 -1.674 -7.497 220 1HG2 THR 29 1HG2 THR 29 -7.264 -3.011 -5.864 221 2HG2 THR 29 2HG2 THR 29 -7.614 -2.125 -4.361 222 3HG2 THR 29 3HG2 THR 29 -8.135 -1.461 -5.928 223 H CYS 30 H CYS 30 -8.060 -0.029 -4.196 224 HA CYS 30 HA CYS 30 -6.997 2.156 -2.616 225 1HB CYS 30 1HB CYS 30 -8.564 3.244 -4.144 226 2HB CYS 30 2HB CYS 30 -9.833 2.133 -3.670 227 H GLY 31 H GLY 31 -10.336 1.221 -2.167 228 1HA GLY 31 1HA GLY 31 -9.532 -0.497 0.093 229 2HA GLY 31 2HA GLY 31 -11.010 0.437 -0.024 230 H LEU 32 H LEU 32 -12.695 -0.231 -1.584 231 HA LEU 32 HA LEU 32 -13.301 -2.880 -1.473 232 1HB LEU 32 1HB LEU 32 -15.065 -2.416 -2.899 233 2HB LEU 32 2HB LEU 32 -14.749 -0.899 -2.081 234 HG LEU 32 HG LEU 32 -13.198 -0.762 -4.407 235 1HD1 LEU 32 1HD1 LEU 32 -15.336 -2.627 -4.836 236 2HD1 LEU 32 2HD1 LEU 32 -15.627 -1.159 -5.799 237 3HD1 LEU 32 3HD1 LEU 32 -14.095 -2.048 -5.973 238 1HD2 LEU 32 1HD2 LEU 32 -15.135 0.735 -3.061 239 2HD2 LEU 32 2HD2 LEU 32 -14.160 1.239 -4.462 240 3HD2 LEU 32 3HD2 LEU 32 -15.774 0.531 -4.709 241 HA PRO 33 HA PRO 33 -11.028 -4.898 -4.538 242 1HB PRO 33 1HB PRO 33 -12.770 -6.720 -5.591 243 2HB PRO 33 2HB PRO 33 -11.962 -6.945 -4.053 244 1HG PRO 33 1HG PRO 33 -14.776 -6.209 -4.577 245 2HG PRO 33 2HG PRO 33 -14.064 -6.846 -3.108 246 1HD PRO 33 1HD PRO 33 -14.817 -4.124 -3.612 247 2HD PRO 33 2HD PRO 33 -13.999 -4.739 -2.189 248 H GLY 34 H GLY 34 -10.128 -4.340 -6.420 249 1HA GLY 34 1HA GLY 34 -10.103 -3.815 -8.633 250 2HA GLY 34 2HA GLY 34 -11.848 -3.959 -8.700 251 H THR 35 H THR 35 -9.916 -1.919 -6.430 252 HA THR 35 HA THR 35 -11.498 0.373 -7.202 253 HB THR 35 HB THR 35 -9.408 1.029 -5.353 254 HG1 THR 35 HG1 THR 35 -9.943 -0.867 -3.877 255 1HG2 THR 35 1HG2 THR 35 -11.404 1.913 -4.588 256 2HG2 THR 35 2HG2 THR 35 -12.366 0.607 -5.321 257 3HG2 THR 35 3HG2 THR 35 -11.557 0.347 -3.757 258 H LYS 36 H LYS 36 -10.614 2.420 -7.889 259 HA LYS 36 HA LYS 36 -8.032 2.119 -9.247 260 1HB LYS 36 1HB LYS 36 -10.649 3.102 -10.387 261 2HB LYS 36 2HB LYS 36 -9.112 3.600 -11.066 262 1HG LYS 36 1HG LYS 36 -10.252 0.788 -10.875 263 2HG LYS 36 2HG LYS 36 -9.764 1.659 -12.315 264 1HD LYS 36 1HD LYS 36 -7.789 0.899 -10.118 265 2HD LYS 36 2HD LYS 36 -8.142 -0.159 -11.469 266 1HE LYS 36 1HE LYS 36 -7.610 2.512 -12.484 267 2HE LYS 36 2HE LYS 36 -6.314 2.048 -11.399 268 1HZ LYS 36 1HZ LYS 36 -7.227 0.080 -13.320 269 2HZ LYS 36 2HZ LYS 36 -6.326 1.323 -13.878 270 3HZ LYS 36 3HZ LYS 36 -5.727 0.333 -12.726 271 H CYS 37 H CYS 37 -6.712 3.381 -8.021 272 HA CYS 37 HA CYS 37 -7.809 5.905 -7.067 273 1HB CYS 37 1HB CYS 37 -6.627 4.225 -5.542 274 2HB CYS 37 2HB CYS 37 -5.140 4.708 -6.333 275 H CYS 38 H CYS 38 -7.046 7.876 -7.877 276 HA CYS 38 HA CYS 38 -4.929 7.651 -9.893 277 1HB CYS 38 1HB CYS 38 -7.443 8.285 -10.493 278 2HB CYS 38 2HB CYS 38 -6.913 9.878 -9.991 279 H LYS 39 H LYS 39 -3.410 9.475 -9.959 280 HA LYS 39 HA LYS 39 -3.543 11.196 -7.590 281 1HB LYS 39 1HB LYS 39 -1.440 9.250 -8.352 282 2HB LYS 39 2HB LYS 39 -0.863 10.833 -7.871 283 1HG LYS 39 1HG LYS 39 -1.377 10.464 -5.685 284 2HG LYS 39 2HG LYS 39 -2.998 9.927 -6.079 285 1HD LYS 39 1HD LYS 39 -2.423 7.713 -5.983 286 2HD LYS 39 2HD LYS 39 -0.929 7.964 -6.864 287 1HE LYS 39 1HE LYS 39 -0.340 9.219 -4.471 288 2HE LYS 39 2HE LYS 39 -1.413 7.948 -3.921 289 1HZ LYS 39 1HZ LYS 39 0.757 7.331 -5.773 290 2HZ LYS 39 2HZ LYS 39 1.049 7.446 -4.171 291 3HZ LYS 39 3HZ LYS 39 -0.011 6.336 -4.730 292 H LYS 40 H LYS 40 -1.402 12.829 -8.018 293 HA LYS 40 HA LYS 40 -2.335 14.424 -10.148 294 1HB LYS 40 1HB LYS 40 -0.610 15.960 -9.487 295 2HB LYS 40 2HB LYS 40 -1.350 15.293 -8.046 296 1HG LYS 40 1HG LYS 40 0.517 13.715 -7.751 297 2HG LYS 40 2HG LYS 40 1.224 14.205 -9.278 298 1HD LYS 40 1HD LYS 40 1.833 16.359 -8.452 299 2HD LYS 40 2HD LYS 40 0.712 16.266 -7.108 300 1HE LYS 40 1HE LYS 40 2.838 14.147 -7.216 301 2HE LYS 40 2HE LYS 40 3.380 15.774 -6.852 302 1HZ LYS 40 1HZ LYS 40 1.511 15.768 -5.173 303 2HZ LYS 40 2HZ LYS 40 1.457 14.148 -5.369 304 3HZ LYS 40 3HZ LYS 40 2.822 14.859 -4.824 305 HA PRO 41 HA PRO 41 0.027 12.846 -13.400 306 1HB PRO 41 1HB PRO 41 -0.010 14.960 -15.132 307 2HB PRO 41 2HB PRO 41 -1.343 13.835 -14.964 308 1HG PRO 41 1HG PRO 41 -1.120 16.607 -13.962 309 2HG PRO 41 2HG PRO 41 -2.559 15.632 -14.181 310 1HD PRO 41 1HD PRO 41 -1.239 16.211 -11.701 311 2HD PRO 41 2HD PRO 41 -2.609 15.143 -11.935 Start of MODEL 7 1 H GLY 1 H GLY 1 1.884 0.000 0.829 2 1HA GLY 1 1HA GLY 1 1.914 0.942 -1.770 3 2HA GLY 1 2HA GLY 1 3.140 -0.070 -1.033 4 H ILE 2 H ILE 2 3.166 -0.758 -3.470 5 HA ILE 2 HA ILE 2 1.390 -2.013 -4.900 6 HB ILE 2 HB ILE 2 4.224 -2.600 -4.294 7 1HG1 ILE 2 1HG1 ILE 2 2.615 -1.395 -6.386 8 2HG1 ILE 2 2HG1 ILE 2 4.325 -1.224 -6.046 9 1HG2 ILE 2 1HG2 ILE 2 3.400 -4.862 -4.308 10 2HG2 ILE 2 2HG2 ILE 2 2.466 -4.560 -5.793 11 3HG2 ILE 2 3HG2 ILE 2 4.246 -4.543 -5.842 12 1HD1 ILE 2 1HD1 ILE 2 3.866 -2.222 -8.307 13 2HD1 ILE 2 2HD1 ILE 2 4.838 -3.290 -7.267 14 3HD1 ILE 2 3HD1 ILE 2 3.104 -3.614 -7.502 15 H GLY 3 H GLY 3 -0.393 -3.113 -4.255 16 1HA GLY 3 1HA GLY 3 -1.362 -5.161 -3.709 17 2HA GLY 3 2HA GLY 3 0.046 -5.596 -2.760 18 H ASP 4 H ASP 4 -2.333 -2.835 -2.826 19 HA ASP 4 HA ASP 4 -2.825 -3.409 -0.024 20 1HB ASP 4 1HB ASP 4 -2.276 -1.295 0.704 21 2HB ASP 4 2HB ASP 4 -1.205 -1.344 -0.682 22 HD2 ASP 4 HD2 ASP 4 -2.958 -0.965 -2.616 23 HA PRO 5 HA PRO 5 -6.931 -2.206 -1.080 24 1HB PRO 5 1HB PRO 5 -7.792 -0.373 0.754 25 2HB PRO 5 2HB PRO 5 -7.697 -2.090 1.089 26 1HG PRO 5 1HG PRO 5 -5.909 0.078 2.004 27 2HG PRO 5 2HG PRO 5 -6.090 -1.541 2.649 28 1HD PRO 5 1HD PRO 5 -3.952 -0.583 0.995 29 2HD PRO 5 2HD PRO 5 -4.195 -2.229 1.544 30 H VAL 6 H VAL 6 -5.430 0.883 -0.232 31 HA VAL 6 HA VAL 6 -6.980 2.222 -2.221 32 HB VAL 6 HB VAL 6 -4.942 2.893 -0.173 33 1HG1 VAL 6 1HG1 VAL 6 -5.168 4.309 -2.788 34 2HG1 VAL 6 2HG1 VAL 6 -5.069 5.313 -1.321 35 3HG1 VAL 6 3HG1 VAL 6 -3.779 4.142 -1.687 36 1HG2 VAL 6 1HG2 VAL 6 -7.733 3.573 -0.875 37 2HG2 VAL 6 2HG2 VAL 6 -6.947 3.433 0.716 38 3HG2 VAL 6 3HG2 VAL 6 -6.764 4.924 -0.240 39 H THR 7 H THR 7 -3.373 1.997 -1.834 40 HA THR 7 HA THR 7 -2.622 2.748 -4.302 41 HB THR 7 HB THR 7 -1.550 1.200 -2.077 42 HG1 THR 7 HG1 THR 7 -0.412 2.602 -4.393 43 1HG2 THR 7 1HG2 THR 7 0.340 0.224 -3.586 44 2HG2 THR 7 2HG2 THR 7 -1.172 -0.710 -3.493 45 3HG2 THR 7 3HG2 THR 7 -0.845 0.315 -4.911 46 H CYS 8 H CYS 8 -4.396 -0.178 -3.498 47 HA CYS 8 HA CYS 8 -3.788 -1.889 -5.456 48 1HB CYS 8 1HB CYS 8 -5.775 -1.724 -3.653 49 2HB CYS 8 2HB CYS 8 -6.694 -1.381 -5.105 50 H LEU 9 H LEU 9 -5.362 1.292 -5.729 51 HA LEU 9 HA LEU 9 -6.243 0.896 -8.411 52 1HB LEU 9 1HB LEU 9 -5.838 3.612 -7.272 53 2HB LEU 9 2HB LEU 9 -7.144 2.983 -8.257 54 HG LEU 9 HG LEU 9 -6.962 1.791 -5.560 55 1HD1 LEU 9 1HD1 LEU 9 -8.330 4.208 -5.094 56 2HD1 LEU 9 2HD1 LEU 9 -6.802 3.654 -4.367 57 3HD1 LEU 9 3HD1 LEU 9 -6.776 4.652 -5.841 58 1HD2 LEU 9 1HD2 LEU 9 -9.117 2.804 -7.400 59 2HD2 LEU 9 2HD2 LEU 9 -8.841 1.160 -6.777 60 3HD2 LEU 9 3HD2 LEU 9 -9.461 2.430 -5.694 61 H LYS 10 H LYS 10 -3.435 2.496 -6.796 62 HA LYS 10 HA LYS 10 -2.302 3.541 -9.106 63 1HB LYS 10 1HB LYS 10 -1.772 3.715 -6.469 64 2HB LYS 10 2HB LYS 10 -0.511 2.587 -6.927 65 1HG LYS 10 1HG LYS 10 0.447 4.771 -7.197 66 2HG LYS 10 2HG LYS 10 0.114 4.199 -8.820 67 1HD LYS 10 1HD LYS 10 -2.001 5.498 -8.875 68 2HD LYS 10 2HD LYS 10 -1.749 6.018 -7.220 69 1HE LYS 10 1HE LYS 10 0.157 6.629 -9.530 70 2HE LYS 10 2HE LYS 10 -1.051 7.743 -8.922 71 1HZ LYS 10 1HZ LYS 10 0.047 7.509 -6.731 72 2HZ LYS 10 2HZ LYS 10 1.249 6.670 -7.451 73 3HZ LYS 10 3HZ LYS 10 0.975 8.225 -7.868 74 H SER 11 H SER 11 -2.760 0.266 -8.115 75 HA SER 11 HA SER 11 -0.524 -0.635 -9.703 76 1HB SER 11 1HB SER 11 -2.468 -1.961 -7.800 77 2HB SER 11 2HB SER 11 -1.564 -2.947 -8.931 78 HG SER 11 HG SER 11 -0.369 -1.067 -7.077 79 H GLY 12 H GLY 12 -3.823 0.205 -10.060 80 1HA GLY 12 1HA GLY 12 -4.850 0.234 -12.165 81 2HA GLY 12 2HA GLY 12 -3.922 -1.171 -12.653 82 H ALA 13 H ALA 13 -4.839 -1.800 -9.491 83 HA ALA 13 HA ALA 13 -6.674 -3.784 -10.250 84 1HB ALA 13 1HB ALA 13 -6.342 -2.583 -7.482 85 2HB ALA 13 2HB ALA 13 -6.790 -4.250 -7.915 86 3HB ALA 13 3HB ALA 13 -5.132 -3.670 -8.205 87 H ILE 14 H ILE 14 -8.970 -3.945 -9.735 88 HA ILE 14 HA ILE 14 -10.241 -1.314 -9.897 89 HB ILE 14 HB ILE 14 -12.232 -2.817 -10.575 90 1HG1 ILE 14 1HG1 ILE 14 -10.245 -4.745 -11.640 91 2HG1 ILE 14 2HG1 ILE 14 -10.575 -4.867 -9.923 92 1HG2 ILE 14 1HG2 ILE 14 -10.778 -1.240 -11.988 93 2HG2 ILE 14 2HG2 ILE 14 -9.963 -2.716 -12.557 94 3HG2 ILE 14 3HG2 ILE 14 -11.709 -2.501 -12.831 95 1HD1 ILE 14 1HD1 ILE 14 -12.300 -5.551 -12.213 96 2HD1 ILE 14 2HD1 ILE 14 -12.400 -6.087 -10.518 97 3HD1 ILE 14 3HD1 ILE 14 -13.128 -4.538 -11.006 98 H CYS 15 H CYS 15 -12.239 -0.955 -8.637 99 HA CYS 15 HA CYS 15 -12.015 -2.339 -6.072 100 1HB CYS 15 1HB CYS 15 -12.981 0.414 -6.822 101 2HB CYS 15 2HB CYS 15 -13.402 -0.318 -5.286 102 H HIS 16 H HIS 16 -13.607 -3.830 -5.651 103 HA HIS 16 HA HIS 16 -16.270 -3.279 -6.666 104 1HB HIS 16 1HB HIS 16 -16.240 -5.898 -7.197 105 2HB HIS 16 2HB HIS 16 -15.866 -4.673 -8.393 106 HD1 HIS 16 HD1 HIS 16 -14.301 -7.408 -6.354 107 HD2 HIS 16 HD2 HIS 16 -13.121 -4.498 -9.135 108 HE1 HIS 16 HE1 HIS 16 -11.935 -8.031 -7.080 109 HE2 HIS 16 HE2 HIS 16 -11.285 -6.238 -8.829 110 HA PRO 17 HA PRO 17 -16.688 -4.583 -2.481 111 1HB PRO 17 1HB PRO 17 -19.134 -3.446 -2.042 112 2HB PRO 17 2HB PRO 17 -17.623 -2.590 -1.808 113 1HG PRO 17 1HG PRO 17 -19.579 -2.328 -4.009 114 2HG PRO 17 2HG PRO 17 -18.310 -1.218 -3.530 115 1HD PRO 17 1HD PRO 17 -18.269 -3.007 -5.771 116 2HD PRO 17 2HD PRO 17 -16.957 -1.982 -5.225 117 H VAL 18 H VAL 18 -16.669 -6.744 -3.624 118 HA VAL 18 HA VAL 18 -18.731 -8.248 -2.637 119 HB VAL 18 HB VAL 18 -19.653 -8.740 -5.128 120 1HG1 VAL 18 1HG1 VAL 18 -21.338 -6.695 -4.135 121 2HG1 VAL 18 2HG1 VAL 18 -21.499 -8.454 -3.911 122 3HG1 VAL 18 3HG1 VAL 18 -20.607 -7.482 -2.716 123 1HG2 VAL 18 1HG2 VAL 18 -18.243 -6.522 -5.689 124 2HG2 VAL 18 2HG2 VAL 18 -19.762 -6.939 -6.519 125 3HG2 VAL 18 3HG2 VAL 18 -19.771 -5.764 -5.182 126 H PHE 19 H PHE 19 -17.988 -8.839 -6.035 127 HA PHE 19 HA PHE 19 -15.863 -10.669 -5.164 128 1HB PHE 19 1HB PHE 19 -16.817 -11.874 -7.379 129 2HB PHE 19 2HB PHE 19 -17.621 -12.113 -5.840 130 HD1 PHE 19 HD1 PHE 19 -17.750 -10.174 -8.988 131 HD2 PHE 19 HD2 PHE 19 -19.847 -11.390 -5.505 132 HE1 PHE 19 HE1 PHE 19 -19.887 -9.293 -9.966 133 HE2 PHE 19 HE2 PHE 19 -21.984 -10.510 -6.483 134 HZ PHE 19 HZ PHE 19 -21.978 -9.472 -8.703 135 H CYS 20 H CYS 20 -14.894 -11.521 -7.590 136 HA CYS 20 HA CYS 20 -14.048 -8.997 -8.815 137 1HB CYS 20 1HB CYS 20 -12.078 -9.701 -7.954 138 2HB CYS 20 2HB CYS 20 -12.543 -11.391 -7.941 139 HA PRO 21 HA PRO 21 -16.224 -11.237 -12.039 140 1HB PRO 21 1HB PRO 21 -17.262 -9.048 -13.304 141 2HB PRO 21 2HB PRO 21 -18.103 -9.905 -12.027 142 1HG PRO 21 1HG PRO 21 -16.716 -7.297 -11.906 143 2HG PRO 21 2HG PRO 21 -17.899 -7.963 -10.799 144 1HD PRO 21 1HD PRO 21 -15.064 -7.808 -10.391 145 2HD PRO 21 2HD PRO 21 -16.235 -8.577 -9.337 146 H ARG 22 H ARG 22 -16.214 -11.088 -14.517 147 HA ARG 22 HA ARG 22 -15.103 -10.836 -16.368 148 1HB ARG 22 1HB ARG 22 -13.046 -9.069 -14.961 149 2HB ARG 22 2HB ARG 22 -13.384 -9.130 -16.679 150 1HG ARG 22 1HG ARG 22 -15.348 -8.195 -14.533 151 2HG ARG 22 2HG ARG 22 -14.429 -7.139 -15.588 152 1HD ARG 22 1HD ARG 22 -16.322 -7.250 -16.897 153 2HD ARG 22 2HD ARG 22 -15.585 -8.729 -17.480 154 HE ARG 22 HE ARG 22 -17.010 -9.502 -15.198 155 1HH1 ARG 22 1HH1 ARG 22 -20.188 -9.914 -16.579 156 2HH1 ARG 22 2HH1 ARG 22 -19.145 -10.314 -15.255 157 1HH2 ARG 22 1HH2 ARG 22 -19.416 -8.555 -18.294 158 2HH2 ARG 22 2HH2 ARG 22 -17.797 -7.940 -18.251 159 H ARG 23 H ARG 23 -12.677 -11.238 -17.298 160 HA ARG 23 HA ARG 23 -11.879 -13.640 -16.099 161 1HB ARG 23 1HB ARG 23 -11.164 -12.030 -18.496 162 2HB ARG 23 2HB ARG 23 -9.821 -12.956 -17.856 163 1HG ARG 23 1HG ARG 23 -11.116 -15.041 -17.990 164 2HG ARG 23 2HG ARG 23 -12.565 -14.164 -18.440 165 1HD ARG 23 1HD ARG 23 -11.875 -14.737 -20.571 166 2HD ARG 23 2HD ARG 23 -10.943 -13.261 -20.415 167 HE ARG 23 HE ARG 23 -9.562 -15.637 -19.380 168 1HH1 ARG 23 1HH1 ARG 23 -7.306 -15.689 -22.042 169 2HH1 ARG 23 2HH1 ARG 23 -7.672 -16.316 -20.469 170 1HH2 ARG 23 1HH2 ARG 23 -8.736 -14.159 -23.042 171 2HH2 ARG 23 2HH2 ARG 23 -10.169 -13.644 -22.216 172 H TYR 24 H TYR 24 -11.563 -10.804 -14.713 173 HA TYR 24 HA TYR 24 -8.725 -10.599 -14.341 174 1HB TYR 24 1HB TYR 24 -11.175 -9.115 -13.944 175 2HB TYR 24 2HB TYR 24 -10.483 -9.320 -12.347 176 HD1 TYR 24 HD1 TYR 24 -9.959 -7.007 -11.968 177 HD2 TYR 24 HD2 TYR 24 -8.441 -9.019 -15.426 178 HE1 TYR 24 HE1 TYR 24 -8.374 -5.068 -12.410 179 HE2 TYR 24 HE2 TYR 24 -6.862 -7.074 -15.856 180 HH TYR 24 HH TYR 24 -6.328 -5.036 -15.301 181 H LYS 25 H LYS 25 -7.758 -10.609 -12.093 182 HA LYS 25 HA LYS 25 -9.114 -12.182 -10.124 183 1HB LYS 25 1HB LYS 25 -7.578 -13.560 -12.086 184 2HB LYS 25 2HB LYS 25 -6.659 -13.598 -10.594 185 1HG LYS 25 1HG LYS 25 -9.115 -14.157 -9.573 186 2HG LYS 25 2HG LYS 25 -9.360 -14.772 -11.196 187 1HD LYS 25 1HD LYS 25 -8.076 -16.602 -10.786 188 2HD LYS 25 2HD LYS 25 -6.751 -15.621 -10.193 189 1HE LYS 25 1HE LYS 25 -9.026 -15.734 -8.301 190 2HE LYS 25 2HE LYS 25 -8.351 -17.314 -8.643 191 1HZ LYS 25 1HZ LYS 25 -6.961 -16.631 -7.031 192 2HZ LYS 25 2HZ LYS 25 -6.141 -15.987 -8.288 193 3HZ LYS 25 3HZ LYS 25 -7.104 -15.040 -7.371 194 H GLN 26 H GLN 26 -7.896 -12.238 -8.083 195 HA GLN 26 HA GLN 26 -5.411 -11.167 -7.762 196 1HB GLN 26 1HB GLN 26 -6.774 -9.091 -8.671 197 2HB GLN 26 2HB GLN 26 -7.404 -9.008 -7.038 198 1HG GLN 26 1HG GLN 26 -5.346 -7.589 -7.398 199 2HG GLN 26 2HG GLN 26 -5.177 -8.749 -6.096 200 1HE2 GLN 26 1HE2 GLN 26 -5.136 -9.390 -9.571 201 2HE2 GLN 26 2HE2 GLN 26 -3.501 -9.951 -9.684 202 H ILE 27 H ILE 27 -6.796 -9.392 -5.414 203 HA ILE 27 HA ILE 27 -8.290 -10.839 -3.754 204 HB ILE 27 HB ILE 27 -6.348 -11.872 -2.284 205 1HG1 ILE 27 1HG1 ILE 27 -5.145 -12.913 -4.710 206 2HG1 ILE 27 2HG1 ILE 27 -4.927 -11.177 -4.610 207 1HG2 ILE 27 1HG2 ILE 27 -8.267 -12.870 -4.191 208 2HG2 ILE 27 2HG2 ILE 27 -6.823 -13.910 -4.162 209 3HG2 ILE 27 3HG2 ILE 27 -7.713 -13.581 -2.656 210 1HD1 ILE 27 1HD1 ILE 27 -4.343 -13.052 -2.276 211 2HD1 ILE 27 2HD1 ILE 27 -3.115 -12.556 -3.466 212 3HD1 ILE 27 3HD1 ILE 27 -3.890 -11.337 -2.426 213 H GLY 28 H GLY 28 -7.748 -8.171 -4.329 214 1HA GLY 28 1HA GLY 28 -6.327 -7.205 -1.927 215 2HA GLY 28 2HA GLY 28 -6.557 -6.309 -3.415 216 H THR 29 H THR 29 -7.397 -4.659 -1.762 217 HA THR 29 HA THR 29 -10.294 -5.044 -1.520 218 HB THR 29 HB THR 29 -8.588 -3.829 0.700 219 HG1 THR 29 HG1 THR 29 -9.683 -6.533 0.419 220 1HG2 THR 29 1HG2 THR 29 -10.858 -5.304 1.620 221 2HG2 THR 29 2HG2 THR 29 -10.644 -3.537 1.652 222 3HG2 THR 29 3HG2 THR 29 -11.432 -4.313 0.257 223 H CYS 30 H CYS 30 -10.873 -2.579 -0.311 224 HA CYS 30 HA CYS 30 -9.608 -0.616 -2.032 225 1HB CYS 30 1HB CYS 30 -11.667 -1.640 -3.176 226 2HB CYS 30 2HB CYS 30 -12.615 -0.808 -1.959 227 H GLY 31 H GLY 31 -12.450 -1.111 0.203 228 1HA GLY 31 1HA GLY 31 -11.463 1.185 1.787 229 2HA GLY 31 2HA GLY 31 -13.151 0.764 1.575 230 H LEU 32 H LEU 32 -13.573 0.483 3.820 231 HA LEU 32 HA LEU 32 -11.977 -1.508 5.212 232 1HB LEU 32 1HB LEU 32 -12.573 -0.488 7.104 233 2HB LEU 32 2HB LEU 32 -12.909 0.856 6.030 234 HG LEU 32 HG LEU 32 -15.315 0.075 5.948 235 1HD1 LEU 32 1HD1 LEU 32 -14.179 -2.042 7.623 236 2HD1 LEU 32 2HD1 LEU 32 -15.629 -1.283 8.322 237 3HD1 LEU 32 3HD1 LEU 32 -15.696 -1.996 6.693 238 1HD2 LEU 32 1HD2 LEU 32 -15.753 1.600 7.514 239 2HD2 LEU 32 2HD2 LEU 32 -14.959 0.648 8.791 240 3HD2 LEU 32 3HD2 LEU 32 -13.990 1.708 7.739 241 HA PRO 33 HA PRO 33 -16.319 -3.324 4.559 242 1HB PRO 33 1HB PRO 33 -17.418 -2.839 2.104 243 2HB PRO 33 2HB PRO 33 -17.863 -1.949 3.546 244 1HG PRO 33 1HG PRO 33 -16.170 -1.083 1.283 245 2HG PRO 33 2HG PRO 33 -16.966 -0.102 2.496 246 1HD PRO 33 1HD PRO 33 -14.179 -0.771 2.388 247 2HD PRO 33 2HD PRO 33 -14.996 0.113 3.662 248 H GLY 34 H GLY 34 -13.932 -4.434 4.373 249 1HA GLY 34 1HA GLY 34 -12.646 -5.917 3.180 250 2HA GLY 34 2HA GLY 34 -14.144 -6.816 3.313 251 H THR 35 H THR 35 -13.320 -3.893 1.324 252 HA THR 35 HA THR 35 -14.733 -4.695 -0.911 253 HB THR 35 HB THR 35 -12.404 -3.114 -1.623 254 HG1 THR 35 HG1 THR 35 -13.888 -2.222 0.721 255 1HG2 THR 35 1HG2 THR 35 -15.358 -2.807 -1.384 256 2HG2 THR 35 2HG2 THR 35 -14.443 -1.313 -1.065 257 3HG2 THR 35 3HG2 THR 35 -14.253 -2.159 -2.620 258 H LYS 36 H LYS 36 -14.001 -5.404 -3.045 259 HA LYS 36 HA LYS 36 -11.812 -7.340 -2.748 260 1HB LYS 36 1HB LYS 36 -14.396 -7.468 -4.314 261 2HB LYS 36 2HB LYS 36 -13.046 -8.535 -4.645 262 1HG LYS 36 1HG LYS 36 -14.664 -8.310 -2.079 263 2HG LYS 36 2HG LYS 36 -14.451 -9.720 -3.097 264 1HD LYS 36 1HD LYS 36 -12.141 -8.385 -1.617 265 2HD LYS 36 2HD LYS 36 -13.081 -9.693 -0.928 266 1HE LYS 36 1HE LYS 36 -12.331 -10.502 -3.586 267 2HE LYS 36 2HE LYS 36 -10.895 -9.850 -2.821 268 1HZ LYS 36 1HZ LYS 36 -11.800 -12.311 -2.439 269 2HZ LYS 36 2HZ LYS 36 -10.844 -11.524 -1.374 270 3HZ LYS 36 3HZ LYS 36 -12.461 -11.565 -1.145 271 H CYS 37 H CYS 37 -9.983 -6.728 -3.757 272 HA CYS 37 HA CYS 37 -10.276 -4.904 -6.017 273 1HB CYS 37 1HB CYS 37 -8.778 -4.520 -3.868 274 2HB CYS 37 2HB CYS 37 -7.636 -5.511 -4.753 275 H CYS 38 H CYS 38 -9.828 -5.659 -8.074 276 HA CYS 38 HA CYS 38 -8.432 -8.232 -8.224 277 1HB CYS 38 1HB CYS 38 -10.994 -8.114 -8.747 278 2HB CYS 38 2HB CYS 38 -10.471 -7.407 -10.263 279 H LYS 39 H LYS 39 -7.091 -8.481 -10.197 280 HA LYS 39 HA LYS 39 -6.627 -6.005 -11.665 281 1HB LYS 39 1HB LYS 39 -4.468 -7.532 -10.181 282 2HB LYS 39 2HB LYS 39 -4.167 -6.274 -11.363 283 1HG LYS 39 1HG LYS 39 -4.874 -4.575 -9.954 284 2HG LYS 39 2HG LYS 39 -6.098 -5.567 -9.187 285 1HD LYS 39 1HD LYS 39 -4.661 -5.677 -7.420 286 2HD LYS 39 2HD LYS 39 -3.779 -6.850 -8.377 287 1HE LYS 39 1HE LYS 39 -2.692 -4.616 -9.440 288 2HE LYS 39 2HE LYS 39 -3.159 -3.941 -7.892 289 1HZ LYS 39 1HZ LYS 39 -2.009 -6.372 -7.357 290 2HZ LYS 39 2HZ LYS 39 -1.039 -5.671 -8.468 291 3HZ LYS 39 3HZ LYS 39 -1.373 -4.895 -7.070 292 H LYS 40 H LYS 40 -4.589 -6.758 -13.311 293 HA LYS 40 HA LYS 40 -5.900 -8.575 -15.024 294 1HB LYS 40 1HB LYS 40 -4.093 -8.160 -16.531 295 2HB LYS 40 2HB LYS 40 -4.496 -6.646 -15.746 296 1HG LYS 40 1HG LYS 40 -2.579 -7.758 -14.026 297 2HG LYS 40 2HG LYS 40 -1.999 -8.218 -15.614 298 1HD LYS 40 1HD LYS 40 -2.438 -5.716 -16.274 299 2HD LYS 40 2HD LYS 40 -2.521 -5.419 -14.549 300 1HE LYS 40 1HE LYS 40 -0.217 -6.861 -14.602 301 2HE LYS 40 2HE LYS 40 -0.159 -6.217 -16.230 302 1HZ LYS 40 1HZ LYS 40 0.389 -4.900 -13.852 303 2HZ LYS 40 2HZ LYS 40 0.494 -4.316 -15.374 304 3HZ LYS 40 3HZ LYS 40 -0.898 -4.160 -14.534 305 HA PRO 41 HA PRO 41 -4.253 -12.288 -13.546 306 1HB PRO 41 1HB PRO 41 -4.806 -13.926 -15.662 307 2HB PRO 41 2HB PRO 41 -5.994 -13.493 -14.449 308 1HG PRO 41 1HG PRO 41 -5.734 -12.508 -17.224 309 2HG PRO 41 2HG PRO 41 -7.121 -12.426 -16.156 310 1HD PRO 41 1HD PRO 41 -5.328 -10.284 -16.808 311 2HD PRO 41 2HD PRO 41 -6.644 -10.234 -15.651 Start of MODEL 8 1 H GLY 1 H GLY 1 1.884 0.000 0.829 2 1HA GLY 1 1HA GLY 1 3.023 0.516 -1.103 3 2HA GLY 1 2HA GLY 1 2.308 -1.025 -1.533 4 H ILE 2 H ILE 2 2.821 0.392 -3.696 5 HA ILE 2 HA ILE 2 1.365 2.448 -4.567 6 HB ILE 2 HB ILE 2 2.434 -0.008 -5.829 7 1HG1 ILE 2 1HG1 ILE 2 3.084 2.804 -5.589 8 2HG1 ILE 2 2HG1 ILE 2 4.099 1.455 -6.060 9 1HG2 ILE 2 1HG2 ILE 2 0.596 1.863 -7.347 10 2HG2 ILE 2 2HG2 ILE 2 1.551 0.524 -8.026 11 3HG2 ILE 2 3HG2 ILE 2 0.221 0.184 -6.893 12 1HD1 ILE 2 1HD1 ILE 2 2.163 2.937 -7.900 13 2HD1 ILE 2 2HD1 ILE 2 3.935 3.111 -7.891 14 3HD1 ILE 2 3HD1 ILE 2 3.194 1.568 -8.379 15 H GLY 3 H GLY 3 -0.648 2.644 -5.873 16 1HA GLY 3 1HA GLY 3 -2.698 1.425 -6.511 17 2HA GLY 3 2HA GLY 3 -2.705 0.754 -4.892 18 H ASP 4 H ASP 4 -2.592 3.959 -6.602 19 HA ASP 4 HA ASP 4 -4.639 4.853 -4.782 20 1HB ASP 4 1HB ASP 4 -3.426 6.520 -3.779 21 2HB ASP 4 2HB ASP 4 -2.057 5.502 -4.182 22 HD2 ASP 4 HD2 ASP 4 -1.621 7.932 -3.798 23 HA PRO 5 HA PRO 5 -5.739 7.281 -8.288 24 1HB PRO 5 1HB PRO 5 -6.207 9.835 -7.437 25 2HB PRO 5 2HB PRO 5 -7.342 8.522 -7.197 26 1HG PRO 5 1HG PRO 5 -5.551 9.805 -5.227 27 2HG PRO 5 2HG PRO 5 -6.966 8.811 -4.940 28 1HD PRO 5 1HD PRO 5 -4.224 8.008 -4.684 29 2HD PRO 5 2HD PRO 5 -5.637 6.985 -4.511 30 H VAL 6 H VAL 6 -3.465 9.313 -6.504 31 HA VAL 6 HA VAL 6 -2.490 10.417 -8.962 32 HB VAL 6 HB VAL 6 -2.042 10.758 -6.047 33 1HG1 VAL 6 1HG1 VAL 6 0.099 11.119 -8.108 34 2HG1 VAL 6 2HG1 VAL 6 -0.052 12.337 -6.819 35 3HG1 VAL 6 3HG1 VAL 6 0.223 10.629 -6.402 36 1HG2 VAL 6 1HG2 VAL 6 -2.575 12.985 -6.463 37 2HG2 VAL 6 2HG2 VAL 6 -2.038 12.907 -8.158 38 3HG2 VAL 6 3HG2 VAL 6 -3.559 12.123 -7.669 39 H THR 7 H THR 7 -0.736 8.704 -6.279 40 HA THR 7 HA THR 7 1.515 8.045 -7.600 41 HB THR 7 HB THR 7 0.009 7.144 -5.269 42 HG1 THR 7 HG1 THR 7 2.070 8.192 -5.191 43 1HG2 THR 7 1HG2 THR 7 1.148 4.916 -5.069 44 2HG2 THR 7 2HG2 THR 7 -0.049 4.915 -6.386 45 3HG2 THR 7 3HG2 THR 7 1.686 5.055 -6.760 46 H CYS 8 H CYS 8 -1.704 6.789 -8.249 47 HA CYS 8 HA CYS 8 -1.243 4.393 -9.364 48 1HB CYS 8 1HB CYS 8 -3.317 6.214 -9.362 49 2HB CYS 8 2HB CYS 8 -2.942 6.066 -11.067 50 H LEU 9 H LEU 9 -0.241 7.606 -10.510 51 HA LEU 9 HA LEU 9 0.396 6.770 -13.150 52 1HB LEU 9 1HB LEU 9 1.692 9.135 -11.897 53 2HB LEU 9 2HB LEU 9 1.034 8.930 -13.508 54 HG LEU 9 HG LEU 9 -1.037 8.795 -11.447 55 1HD1 LEU 9 1HD1 LEU 9 -0.918 10.870 -10.469 56 2HD1 LEU 9 2HD1 LEU 9 0.804 10.425 -10.532 57 3HD1 LEU 9 3HD1 LEU 9 0.128 11.539 -11.745 58 1HD2 LEU 9 1HD2 LEU 9 -2.156 9.314 -13.293 59 2HD2 LEU 9 2HD2 LEU 9 -1.481 10.957 -13.176 60 3HD2 LEU 9 3HD2 LEU 9 -0.655 9.724 -14.158 61 H LYS 10 H LYS 10 2.155 7.059 -10.030 62 HA LYS 10 HA LYS 10 4.714 6.666 -11.010 63 1HB LYS 10 1HB LYS 10 3.685 7.205 -8.598 64 2HB LYS 10 2HB LYS 10 3.948 5.488 -8.375 65 1HG LYS 10 1HG LYS 10 5.979 6.561 -7.665 66 2HG LYS 10 2HG LYS 10 6.340 5.832 -9.217 67 1HD LYS 10 1HD LYS 10 6.058 7.988 -10.364 68 2HD LYS 10 2HD LYS 10 5.494 8.747 -8.888 69 1HE LYS 10 1HE LYS 10 8.179 7.395 -8.777 70 2HE LYS 10 2HE LYS 10 8.080 8.879 -9.702 71 1HZ LYS 10 1HZ LYS 10 7.631 10.075 -7.861 72 2HZ LYS 10 2HZ LYS 10 6.848 8.871 -7.085 73 3HZ LYS 10 3HZ LYS 10 8.480 8.881 -7.140 74 H SER 11 H SER 11 1.977 4.528 -10.926 75 HA SER 11 HA SER 11 3.745 2.242 -11.217 76 1HB SER 11 1HB SER 11 1.405 2.551 -9.762 77 2HB SER 11 2HB SER 11 0.813 1.777 -11.219 78 HG SER 11 HG SER 11 1.400 0.066 -9.949 79 H GLY 12 H GLY 12 2.659 4.595 -13.156 80 1HA GLY 12 1HA GLY 12 2.499 4.723 -15.408 81 2HA GLY 12 2HA GLY 12 2.744 2.991 -15.520 82 H ALA 13 H ALA 13 0.271 3.576 -13.254 83 HA ALA 13 HA ALA 13 -1.696 2.420 -14.876 84 1HB ALA 13 1HB ALA 13 -2.188 4.099 -12.398 85 2HB ALA 13 2HB ALA 13 -3.101 2.685 -12.978 86 3HB ALA 13 3HB ALA 13 -1.463 2.475 -12.313 87 H ILE 14 H ILE 14 -3.514 3.307 -15.943 88 HA ILE 14 HA ILE 14 -3.123 6.090 -16.704 89 HB ILE 14 HB ILE 14 -4.847 5.490 -18.441 90 1HG1 ILE 14 1HG1 ILE 14 -4.423 2.667 -18.443 91 2HG1 ILE 14 2HG1 ILE 14 -5.020 3.111 -16.856 92 1HG2 ILE 14 1HG2 ILE 14 -3.209 4.164 -19.796 93 2HG2 ILE 14 2HG2 ILE 14 -2.544 5.638 -19.052 94 3HG2 ILE 14 3HG2 ILE 14 -2.190 4.044 -18.342 95 1HD1 ILE 14 1HD1 ILE 14 -6.825 2.611 -18.584 96 2HD1 ILE 14 2HD1 ILE 14 -6.975 4.196 -17.788 97 3HD1 ILE 14 3HD1 ILE 14 -6.316 4.088 -19.438 98 H CYS 15 H CYS 15 -5.137 7.473 -16.936 99 HA CYS 15 HA CYS 15 -6.872 6.927 -14.639 100 1HB CYS 15 1HB CYS 15 -6.258 9.632 -15.836 101 2HB CYS 15 2HB CYS 15 -7.148 9.295 -14.365 102 H HIS 16 H HIS 16 -8.875 6.238 -15.306 103 HA HIS 16 HA HIS 16 -10.124 7.663 -17.489 104 1HB HIS 16 1HB HIS 16 -9.329 4.780 -17.593 105 2HB HIS 16 2HB HIS 16 -10.869 5.238 -18.294 106 HD1 HIS 16 HD1 HIS 16 -10.842 6.639 -20.477 107 HD2 HIS 16 HD2 HIS 16 -7.030 5.808 -18.936 108 HE1 HIS 16 HE1 HIS 16 -9.179 7.265 -22.308 109 HE2 HIS 16 HE2 HIS 16 -6.852 6.784 -21.283 110 HA PRO 17 HA PRO 17 -13.465 7.117 -14.790 111 1HB PRO 17 1HB PRO 17 -15.528 7.893 -16.405 112 2HB PRO 17 2HB PRO 17 -14.489 9.028 -15.566 113 1HG PRO 17 1HG PRO 17 -14.511 8.305 -18.433 114 2HG PRO 17 2HG PRO 17 -13.799 9.708 -17.659 115 1HD PRO 17 1HD PRO 17 -12.412 7.386 -18.615 116 2HD PRO 17 2HD PRO 17 -11.717 8.735 -17.738 117 H VAL 18 H VAL 18 -15.050 5.695 -14.071 118 HA VAL 18 HA VAL 18 -15.759 3.572 -13.979 119 HB VAL 18 HB VAL 18 -17.678 3.330 -15.186 120 1HG1 VAL 18 1HG1 VAL 18 -17.696 5.561 -14.185 121 2HG1 VAL 18 2HG1 VAL 18 -16.975 6.247 -15.661 122 3HG1 VAL 18 3HG1 VAL 18 -18.613 5.551 -15.711 123 1HG2 VAL 18 1HG2 VAL 18 -15.965 3.976 -17.484 124 2HG2 VAL 18 2HG2 VAL 18 -17.367 2.885 -17.366 125 3HG2 VAL 18 3HG2 VAL 18 -17.616 4.629 -17.618 126 H PHE 19 H PHE 19 -16.389 1.734 -16.160 127 HA PHE 19 HA PHE 19 -14.300 0.150 -16.293 128 1HB PHE 19 1HB PHE 19 -16.044 0.996 -18.685 129 2HB PHE 19 2HB PHE 19 -15.218 -0.544 -18.555 130 HD1 PHE 19 HD1 PHE 19 -15.783 -1.437 -15.863 131 HD2 PHE 19 HD2 PHE 19 -18.315 0.604 -18.589 132 HE1 PHE 19 HE1 PHE 19 -17.796 -2.421 -14.731 133 HE2 PHE 19 HE2 PHE 19 -20.327 -0.379 -17.457 134 HZ PHE 19 HZ PHE 19 -20.044 -1.880 -15.541 135 H CYS 20 H CYS 20 -12.342 -0.142 -17.392 136 HA CYS 20 HA CYS 20 -11.448 2.235 -18.841 137 1HB CYS 20 1HB CYS 20 -9.216 1.679 -18.230 138 2HB CYS 20 2HB CYS 20 -10.208 1.662 -16.785 139 HA PRO 21 HA PRO 21 -11.311 -0.317 -22.379 140 1HB PRO 21 1HB PRO 21 -9.800 1.247 -24.034 141 2HB PRO 21 2HB PRO 21 -11.516 1.497 -23.782 142 1HG PRO 21 1HG PRO 21 -9.240 3.056 -22.719 143 2HG PRO 21 2HG PRO 21 -10.927 3.517 -22.838 144 1HD PRO 21 1HD PRO 21 -9.538 2.687 -20.470 145 2HD PRO 21 2HD PRO 21 -11.249 3.036 -20.613 146 H ARG 22 H ARG 22 -9.579 -1.035 -24.199 147 HA ARG 22 HA ARG 22 -7.797 -2.195 -24.587 148 1HB ARG 22 1HB ARG 22 -6.792 -0.444 -22.355 149 2HB ARG 22 2HB ARG 22 -5.814 -1.844 -22.746 150 1HG ARG 22 1HG ARG 22 -4.975 -0.067 -24.124 151 2HG ARG 22 2HG ARG 22 -5.897 -1.100 -25.198 152 1HD ARG 22 1HD ARG 22 -6.337 1.411 -25.450 153 2HD ARG 22 2HD ARG 22 -7.767 0.420 -25.239 154 HE ARG 22 HE ARG 22 -8.100 1.351 -23.092 155 1HH1 ARG 22 1HH1 ARG 22 -6.283 3.866 -21.496 156 2HH1 ARG 22 2HH1 ARG 22 -7.741 2.932 -21.482 157 1HH2 ARG 22 1HH2 ARG 22 -4.694 3.513 -23.150 158 2HH2 ARG 22 2HH2 ARG 22 -4.966 2.314 -24.370 159 H ARG 23 H ARG 23 -6.505 -4.150 -23.777 160 HA ARG 23 HA ARG 23 -8.185 -5.626 -22.040 161 1HB ARG 23 1HB ARG 23 -5.858 -6.163 -23.837 162 2HB ARG 23 2HB ARG 23 -5.973 -7.237 -22.457 163 1HG ARG 23 1HG ARG 23 -8.249 -7.895 -23.066 164 2HG ARG 23 2HG ARG 23 -8.326 -6.668 -24.315 165 1HD ARG 23 1HD ARG 23 -7.766 -8.504 -25.630 166 2HD ARG 23 2HD ARG 23 -6.153 -7.935 -25.246 167 HE ARG 23 HE ARG 23 -6.902 -9.689 -23.153 168 1HH1 ARG 23 1HH1 ARG 23 -5.767 -12.670 -24.570 169 2HH1 ARG 23 2HH1 ARG 23 -6.235 -11.874 -23.104 170 1HH2 ARG 23 1HH2 ARG 23 -5.817 -11.516 -26.583 171 2HH2 ARG 23 2HH2 ARG 23 -6.323 -9.860 -26.620 172 H TYR 24 H TYR 24 -6.574 -3.239 -20.997 173 HA TYR 24 HA TYR 24 -4.448 -4.195 -19.426 174 1HB TYR 24 1HB TYR 24 -5.784 -1.785 -20.131 175 2HB TYR 24 2HB TYR 24 -6.097 -1.919 -18.412 176 HD1 TYR 24 HD1 TYR 24 -3.043 -2.864 -20.371 177 HD2 TYR 24 HD2 TYR 24 -4.746 -0.314 -17.387 178 HE1 TYR 24 HE1 TYR 24 -0.744 -1.900 -19.872 179 HE2 TYR 24 HE2 TYR 24 -2.441 0.641 -16.898 180 HH TYR 24 HH TYR 24 0.224 0.058 -18.956 181 H LYS 25 H LYS 25 -5.152 -3.015 -16.857 182 HA LYS 25 HA LYS 25 -7.426 -4.486 -15.896 183 1HB LYS 25 1HB LYS 25 -5.697 -6.247 -16.001 184 2HB LYS 25 2HB LYS 25 -4.642 -5.280 -14.991 185 1HG LYS 25 1HG LYS 25 -6.060 -5.485 -13.086 186 2HG LYS 25 2HG LYS 25 -7.451 -5.940 -14.050 187 1HD LYS 25 1HD LYS 25 -6.055 -8.050 -14.721 188 2HD LYS 25 2HD LYS 25 -5.007 -7.625 -13.382 189 1HE LYS 25 1HE LYS 25 -7.015 -7.647 -11.847 190 2HE LYS 25 2HE LYS 25 -8.011 -8.162 -13.194 191 1HZ LYS 25 1HZ LYS 25 -7.357 -10.210 -12.805 192 2HZ LYS 25 2HZ LYS 25 -5.795 -9.823 -13.079 193 3HZ LYS 25 3HZ LYS 25 -6.407 -9.727 -11.568 194 H GLN 26 H GLN 26 -8.373 -2.743 -14.940 195 HA GLN 26 HA GLN 26 -6.756 -0.777 -13.683 196 1HB GLN 26 1HB GLN 26 -8.594 0.501 -13.990 197 2HB GLN 26 2HB GLN 26 -9.340 -0.875 -14.777 198 1HG GLN 26 1HG GLN 26 -9.441 -0.350 -11.768 199 2HG GLN 26 2HG GLN 26 -10.720 0.076 -12.888 200 1HE2 GLN 26 1HE2 GLN 26 -11.288 -1.534 -10.817 201 2HE2 GLN 26 2HE2 GLN 26 -11.588 -3.163 -11.325 202 H ILE 27 H ILE 27 -6.770 -0.209 -11.401 203 HA ILE 27 HA ILE 27 -8.141 -1.793 -9.512 204 HB ILE 27 HB ILE 27 -5.762 -2.582 -8.580 205 1HG1 ILE 27 1HG1 ILE 27 -5.394 -3.116 -11.519 206 2HG1 ILE 27 2HG1 ILE 27 -4.774 -1.639 -10.808 207 1HG2 ILE 27 1HG2 ILE 27 -8.059 -3.773 -9.563 208 2HG2 ILE 27 2HG2 ILE 27 -6.758 -4.528 -10.515 209 3HG2 ILE 27 3HG2 ILE 27 -6.712 -4.592 -8.737 210 1HD1 ILE 27 1HD1 ILE 27 -2.964 -3.161 -10.619 211 2HD1 ILE 27 2HD1 ILE 27 -3.697 -3.180 -8.997 212 3HD1 ILE 27 3HD1 ILE 27 -4.029 -4.504 -10.139 213 H GLY 28 H GLY 28 -7.385 1.019 -10.447 214 1HA GLY 28 1HA GLY 28 -6.674 2.000 -7.772 215 2HA GLY 28 2HA GLY 28 -5.707 2.512 -9.140 216 H THR 29 H THR 29 -6.563 4.703 -8.342 217 HA THR 29 HA THR 29 -9.084 5.255 -9.752 218 HB THR 29 HB THR 29 -8.246 6.563 -7.123 219 HG1 THR 29 HG1 THR 29 -9.511 4.876 -6.168 220 1HG2 THR 29 1HG2 THR 29 -10.512 6.783 -8.980 221 2HG2 THR 29 2HG2 THR 29 -11.054 6.248 -7.371 222 3HG2 THR 29 3HG2 THR 29 -10.146 7.769 -7.544 223 H CYS 30 H CYS 30 -9.093 8.036 -9.360 224 HA CYS 30 HA CYS 30 -6.736 9.337 -9.759 225 1HB CYS 30 1HB CYS 30 -7.337 7.733 -12.041 226 2HB CYS 30 2HB CYS 30 -7.558 9.412 -12.491 227 H GLY 31 H GLY 31 -8.850 10.069 -8.348 228 1HA GLY 31 1HA GLY 31 -9.631 12.507 -8.889 229 2HA GLY 31 2HA GLY 31 -10.680 11.650 -10.001 230 H LEU 32 H LEU 32 -11.444 13.249 -7.623 231 HA LEU 32 HA LEU 32 -12.085 11.548 -5.485 232 1HB LEU 32 1HB LEU 32 -12.878 13.400 -4.525 233 2HB LEU 32 2HB LEU 32 -12.025 14.193 -5.835 234 HG LEU 32 HG LEU 32 -14.182 14.229 -7.131 235 1HD1 LEU 32 1HD1 LEU 32 -15.787 12.851 -6.418 236 2HD1 LEU 32 2HD1 LEU 32 -15.075 12.711 -4.793 237 3HD1 LEU 32 3HD1 LEU 32 -16.129 14.090 -5.188 238 1HD2 LEU 32 1HD2 LEU 32 -14.292 15.674 -4.472 239 2HD2 LEU 32 2HD2 LEU 32 -13.286 16.168 -5.854 240 3HD2 LEU 32 3HD2 LEU 32 -15.060 16.160 -6.002 241 HA PRO 33 HA PRO 33 -16.075 11.055 -8.014 242 1HB PRO 33 1HB PRO 33 -15.834 11.150 -10.735 243 2HB PRO 33 2HB PRO 33 -16.386 12.508 -9.774 244 1HG PRO 33 1HG PRO 33 -13.760 12.100 -11.069 245 2HG PRO 33 2HG PRO 33 -14.475 13.588 -10.481 246 1HD PRO 33 1HD PRO 33 -12.415 12.053 -9.206 247 2HD PRO 33 2HD PRO 33 -13.211 13.477 -8.564 248 H GLY 34 H GLY 34 -14.451 9.241 -6.957 249 1HA GLY 34 1HA GLY 34 -13.602 7.135 -7.204 250 2HA GLY 34 2HA GLY 34 -15.236 6.852 -7.772 251 H THR 35 H THR 35 -12.150 8.292 -9.070 252 HA THR 35 HA THR 35 -12.739 7.619 -11.742 253 HB THR 35 HB THR 35 -9.895 7.854 -11.220 254 HG1 THR 35 HG1 THR 35 -11.617 9.871 -9.995 255 1HG2 THR 35 1HG2 THR 35 -11.098 10.408 -11.811 256 2HG2 THR 35 2HG2 THR 35 -10.201 9.344 -12.921 257 3HG2 THR 35 3HG2 THR 35 -11.965 9.173 -12.755 258 H LYS 36 H LYS 36 -11.362 6.149 -13.120 259 HA LYS 36 HA LYS 36 -10.884 3.659 -11.633 260 1HB LYS 36 1HB LYS 36 -12.160 4.078 -14.346 261 2HB LYS 36 2HB LYS 36 -11.569 2.523 -13.797 262 1HG LYS 36 1HG LYS 36 -13.802 4.203 -12.596 263 2HG LYS 36 2HG LYS 36 -13.903 2.572 -13.228 264 1HD LYS 36 1HD LYS 36 -12.162 3.259 -10.824 265 2HD LYS 36 2HD LYS 36 -13.854 2.839 -10.650 266 1HE LYS 36 1HE LYS 36 -12.826 0.830 -12.348 267 2HE LYS 36 2HE LYS 36 -11.548 1.089 -11.177 268 1HZ LYS 36 1HZ LYS 36 -13.111 0.741 -9.426 269 2HZ LYS 36 2HZ LYS 36 -14.361 0.620 -10.469 270 3HZ LYS 36 3HZ LYS 36 -13.197 -0.525 -10.454 271 H CYS 37 H CYS 37 -8.719 3.402 -11.457 272 HA CYS 37 HA CYS 37 -7.056 4.431 -13.594 273 1HB CYS 37 1HB CYS 37 -6.672 4.730 -11.039 274 2HB CYS 37 2HB CYS 37 -6.041 3.097 -11.101 275 H CYS 38 H CYS 38 -6.404 3.081 -15.234 276 HA CYS 38 HA CYS 38 -6.803 0.231 -14.835 277 1HB CYS 38 1HB CYS 38 -7.496 1.816 -16.907 278 2HB CYS 38 2HB CYS 38 -5.920 1.286 -17.462 279 H LYS 39 H LYS 39 -5.064 -1.154 -14.560 280 HA LYS 39 HA LYS 39 -2.405 0.017 -15.000 281 1HB LYS 39 1HB LYS 39 -3.590 -1.336 -12.691 282 2HB LYS 39 2HB LYS 39 -2.091 -2.083 -13.204 283 1HG LYS 39 1HG LYS 39 -0.860 -0.343 -12.416 284 2HG LYS 39 2HG LYS 39 -1.827 0.822 -13.299 285 1HD LYS 39 1HD LYS 39 -2.904 1.450 -11.404 286 2HD LYS 39 2HD LYS 39 -3.401 -0.201 -11.086 287 1HE LYS 39 1HE LYS 39 -0.807 1.151 -10.230 288 2HE LYS 39 2HE LYS 39 -2.068 0.511 -9.195 289 1HZ LYS 39 1HZ LYS 39 -0.559 -1.166 -9.191 290 2HZ LYS 39 2HZ LYS 39 -1.500 -1.669 -10.428 291 3HZ LYS 39 3HZ LYS 39 -0.074 -0.935 -10.733 292 H LYS 40 H LYS 40 -0.690 -1.786 -15.373 293 HA LYS 40 HA LYS 40 -1.481 -3.172 -17.690 294 1HB LYS 40 1HB LYS 40 0.723 -2.667 -17.830 295 2HB LYS 40 2HB LYS 40 0.987 -2.786 -16.102 296 1HG LYS 40 1HG LYS 40 1.196 -5.163 -16.168 297 2HG LYS 40 2HG LYS 40 0.413 -5.283 -17.732 298 1HD LYS 40 1HD LYS 40 2.329 -4.654 -18.907 299 2HD LYS 40 2HD LYS 40 2.940 -3.658 -17.602 300 1HE LYS 40 1HE LYS 40 3.403 -5.786 -16.281 301 2HE LYS 40 2HE LYS 40 2.937 -6.712 -17.693 302 1HZ LYS 40 1HZ LYS 40 5.350 -6.219 -17.444 303 2HZ LYS 40 2HZ LYS 40 4.716 -5.829 -18.897 304 3HZ LYS 40 3HZ LYS 40 5.026 -4.659 -17.801 305 HA PRO 41 HA PRO 41 -3.020 -6.784 -15.866 306 1HB PRO 41 1HB PRO 41 -3.201 -8.355 -18.095 307 2HB PRO 41 2HB PRO 41 -4.414 -7.168 -17.658 308 1HG PRO 41 1HG PRO 41 -2.356 -7.022 -19.775 309 2HG PRO 41 2HG PRO 41 -3.816 -6.070 -19.596 310 1HD PRO 41 1HD PRO 41 -1.138 -5.231 -19.007 311 2HD PRO 41 2HD PRO 41 -2.608 -4.322 -18.719 Start of MODEL 9 1 H GLY 1 H GLY 1 1.884 0.000 0.829 2 1HA GLY 1 1HA GLY 1 1.396 -0.176 -2.081 3 2HA GLY 1 2HA GLY 1 2.525 0.979 -1.402 4 H ILE 2 H ILE 2 3.771 -0.548 -3.125 5 HA ILE 2 HA ILE 2 4.524 -3.050 -2.793 6 HB ILE 2 HB ILE 2 5.976 -0.587 -3.566 7 1HG1 ILE 2 1HG1 ILE 2 4.721 -2.887 -4.810 8 2HG1 ILE 2 2HG1 ILE 2 5.152 -1.334 -5.498 9 1HG2 ILE 2 1HG2 ILE 2 7.705 -1.639 -2.258 10 2HG2 ILE 2 2HG2 ILE 2 7.399 -3.210 -3.038 11 3HG2 ILE 2 3HG2 ILE 2 8.065 -1.859 -3.988 12 1HD1 ILE 2 1HD1 ILE 2 7.137 -3.606 -5.030 13 2HD1 ILE 2 2HD1 ILE 2 6.348 -3.256 -6.587 14 3HD1 ILE 2 3HD1 ILE 2 7.464 -2.069 -5.868 15 H GLY 3 H GLY 3 4.715 -4.196 -0.934 16 1HA GLY 3 1HA GLY 3 6.189 -4.894 0.772 17 2HA GLY 3 2HA GLY 3 6.707 -3.237 1.011 18 H ASP 4 H ASP 4 3.619 -5.167 1.046 19 HA ASP 4 HA ASP 4 3.039 -3.848 3.572 20 1HB ASP 4 1HB ASP 4 0.956 -3.133 2.897 21 2HB ASP 4 2HB ASP 4 1.723 -3.123 1.322 22 HD2 ASP 4 HD2 ASP 4 1.697 -5.621 0.640 23 HA PRO 5 HA PRO 5 1.543 -7.828 4.722 24 1HB PRO 5 1HB PRO 5 -0.955 -7.528 5.790 25 2HB PRO 5 2HB PRO 5 0.513 -7.126 6.658 26 1HG PRO 5 1HG PRO 5 -1.453 -5.311 5.402 27 2HG PRO 5 2HG PRO 5 -0.240 -4.946 6.613 28 1HD PRO 5 1HD PRO 5 -0.112 -4.328 3.815 29 2HD PRO 5 2HD PRO 5 1.148 -4.069 5.004 30 H VAL 6 H VAL 6 -1.165 -6.279 3.073 31 HA VAL 6 HA VAL 6 -2.043 -8.826 2.083 32 HB VAL 6 HB VAL 6 -2.943 -5.998 2.030 33 1HG1 VAL 6 1HG1 VAL 6 -3.206 -6.167 -0.252 34 2HG1 VAL 6 2HG1 VAL 6 -3.420 -7.934 -0.211 35 3HG1 VAL 6 3HG1 VAL 6 -4.747 -6.864 0.302 36 1HG2 VAL 6 1HG2 VAL 6 -3.674 -8.237 3.421 37 2HG2 VAL 6 2HG2 VAL 6 -4.707 -6.808 3.179 38 3HG2 VAL 6 3HG2 VAL 6 -4.883 -8.223 2.114 39 H THR 7 H THR 7 -1.286 -5.769 0.279 40 HA THR 7 HA THR 7 -0.871 -6.797 -2.163 41 HB THR 7 HB THR 7 -0.085 -4.431 -0.636 42 HG1 THR 7 HG1 THR 7 -0.494 -5.247 -3.424 43 1HG2 THR 7 1HG2 THR 7 1.850 -5.520 -2.737 44 2HG2 THR 7 2HG2 THR 7 1.700 -3.781 -2.388 45 3HG2 THR 7 3HG2 THR 7 2.247 -4.899 -1.116 46 H CYS 8 H CYS 8 1.117 -7.404 0.665 47 HA CYS 8 HA CYS 8 3.536 -7.968 -0.284 48 1HB CYS 8 1HB CYS 8 2.117 -8.607 1.994 49 2HB CYS 8 2HB CYS 8 2.515 -10.184 1.343 50 H LEU 9 H LEU 9 0.480 -9.640 -1.002 51 HA LEU 9 HA LEU 9 1.812 -11.853 -2.280 52 1HB LEU 9 1HB LEU 9 -0.973 -11.684 -2.898 53 2HB LEU 9 2HB LEU 9 -0.107 -12.878 -1.952 54 HG LEU 9 HG LEU 9 -0.295 -10.816 -0.156 55 1HD1 LEU 9 1HD1 LEU 9 -1.696 -9.518 -1.735 56 2HD1 LEU 9 2HD1 LEU 9 -2.907 -10.822 -1.692 57 3HD1 LEU 9 3HD1 LEU 9 -2.530 -9.908 -0.212 58 1HD2 LEU 9 1HD2 LEU 9 -2.570 -12.750 -0.316 59 2HD2 LEU 9 2HD2 LEU 9 -0.915 -13.381 -0.133 60 3HD2 LEU 9 3HD2 LEU 9 -1.577 -12.255 1.076 61 H LYS 10 H LYS 10 -0.054 -8.904 -3.208 62 HA LYS 10 HA LYS 10 -0.326 -9.223 -5.852 63 1HB LYS 10 1HB LYS 10 -0.769 -7.196 -4.225 64 2HB LYS 10 2HB LYS 10 0.759 -6.610 -4.850 65 1HG LYS 10 1HG LYS 10 -0.918 -5.696 -6.300 66 2HG LYS 10 2HG LYS 10 -0.170 -6.993 -7.210 67 1HD LYS 10 1HD LYS 10 -2.018 -8.521 -6.669 68 2HD LYS 10 2HD LYS 10 -2.728 -7.345 -5.581 69 1HE LYS 10 1HE LYS 10 -2.937 -5.756 -7.583 70 2HE LYS 10 2HE LYS 10 -2.440 -7.087 -8.610 71 1HZ LYS 10 1HZ LYS 10 -4.608 -7.573 -6.752 72 2HZ LYS 10 2HZ LYS 10 -4.930 -6.648 -8.059 73 3HZ LYS 10 3HZ LYS 10 -4.373 -8.171 -8.253 74 H SER 11 H SER 11 2.707 -8.889 -4.061 75 HA SER 11 HA SER 11 4.335 -10.080 -5.675 76 1HB SER 11 1HB SER 11 3.629 -7.466 -6.950 77 2HB SER 11 2HB SER 11 5.328 -7.895 -6.973 78 HG SER 11 HG SER 11 4.843 -9.138 -8.640 79 H GLY 12 H GLY 12 4.184 -9.411 -2.988 80 1HA GLY 12 1HA GLY 12 6.410 -7.517 -2.558 81 2HA GLY 12 2HA GLY 12 5.152 -7.897 -1.399 82 H ALA 13 H ALA 13 5.100 -10.803 -1.885 83 HA ALA 13 HA ALA 13 7.477 -12.098 -1.813 84 1HB ALA 13 1HB ALA 13 7.289 -12.213 0.971 85 2HB ALA 13 2HB ALA 13 8.528 -11.345 0.035 86 3HB ALA 13 3HB ALA 13 7.076 -10.485 0.601 87 H ILE 14 H ILE 14 7.268 -14.302 -0.645 88 HA ILE 14 HA ILE 14 4.729 -15.343 -1.290 89 HB ILE 14 HB ILE 14 5.708 -17.418 -0.195 90 1HG1 ILE 14 1HG1 ILE 14 8.433 -16.724 -0.297 91 2HG1 ILE 14 2HG1 ILE 14 7.673 -15.455 0.643 92 1HG2 ILE 14 1HG2 ILE 14 7.567 -17.476 -2.073 93 2HG2 ILE 14 2HG2 ILE 14 5.833 -17.487 -2.477 94 3HG2 ILE 14 3HG2 ILE 14 6.764 -15.973 -2.590 95 1HD1 ILE 14 1HD1 ILE 14 8.326 -17.272 2.144 96 2HD1 ILE 14 2HD1 ILE 14 6.549 -17.218 2.054 97 3HD1 ILE 14 3HD1 ILE 14 7.449 -18.458 1.147 98 H CYS 15 H CYS 15 3.369 -16.651 0.282 99 HA CYS 15 HA CYS 15 3.195 -15.140 2.786 100 1HB CYS 15 1HB CYS 15 1.096 -16.303 0.984 101 2HB CYS 15 2HB CYS 15 0.765 -16.097 2.692 102 H HIS 16 H HIS 16 3.978 -16.340 4.484 103 HA HIS 16 HA HIS 16 3.196 -19.134 4.601 104 1HB HIS 16 1HB HIS 16 5.984 -18.118 4.344 105 2HB HIS 16 2HB HIS 16 5.715 -19.395 5.514 106 HD1 HIS 16 HD1 HIS 16 5.122 -21.759 4.619 107 HD2 HIS 16 HD2 HIS 16 5.594 -18.864 1.620 108 HE1 HIS 16 HE1 HIS 16 5.235 -23.030 2.409 109 HE2 HIS 16 HE2 HIS 16 5.470 -21.196 0.600 110 HA PRO 17 HA PRO 17 2.457 -17.365 8.569 111 1HB PRO 17 1HB PRO 17 0.576 -19.178 9.371 112 2HB PRO 17 2HB PRO 17 0.186 -17.728 8.468 113 1HG PRO 17 1HG PRO 17 0.293 -20.527 7.524 114 2HG PRO 17 2HG PRO 17 -0.489 -19.147 6.779 115 1HD PRO 17 1HD PRO 17 1.990 -20.350 5.984 116 2HD PRO 17 2HD PRO 17 1.266 -18.901 5.315 117 H VAL 18 H VAL 18 4.749 -17.921 8.945 118 HA VAL 18 HA VAL 18 4.999 -19.332 11.268 119 HB VAL 18 HB VAL 18 6.324 -21.325 10.018 120 1HG1 VAL 18 1HG1 VAL 18 3.675 -22.289 10.293 121 2HG1 VAL 18 2HG1 VAL 18 5.005 -22.383 11.472 122 3HG1 VAL 18 3HG1 VAL 18 3.879 -21.005 11.508 123 1HG2 VAL 18 1HG2 VAL 18 5.080 -20.269 7.866 124 2HG2 VAL 18 2HG2 VAL 18 5.459 -22.001 8.030 125 3HG2 VAL 18 3HG2 VAL 18 3.824 -21.407 8.411 126 H PHE 19 H PHE 19 7.252 -20.226 8.683 127 HA PHE 19 HA PHE 19 8.995 -18.042 9.586 128 1HB PHE 19 1HB PHE 19 10.004 -20.668 8.440 129 2HB PHE 19 2HB PHE 19 10.775 -19.639 9.631 130 HD1 PHE 19 HD1 PHE 19 8.330 -22.305 9.105 131 HD2 PHE 19 HD2 PHE 19 10.204 -19.818 11.988 132 HE1 PHE 19 HE1 PHE 19 7.499 -23.804 10.939 133 HE2 PHE 19 HE2 PHE 19 9.372 -21.317 13.822 134 HZ PHE 19 HZ PHE 19 8.030 -23.292 13.275 135 H CYS 20 H CYS 20 11.046 -19.058 7.588 136 HA CYS 20 HA CYS 20 9.688 -18.528 5.082 137 1HB CYS 20 1HB CYS 20 10.193 -16.328 5.393 138 2HB CYS 20 2HB CYS 20 11.584 -16.660 6.406 139 HA PRO 21 HA PRO 21 12.747 -21.719 4.567 140 1HB PRO 21 1HB PRO 21 11.523 -22.995 2.483 141 2HB PRO 21 2HB PRO 21 11.199 -23.374 4.162 142 1HG PRO 21 1HG PRO 21 9.527 -21.867 2.246 143 2HG PRO 21 2HG PRO 21 9.058 -22.615 3.761 144 1HD PRO 21 1HD PRO 21 9.495 -19.819 3.289 145 2HD PRO 21 2HD PRO 21 9.141 -20.580 4.828 146 H ARG 22 H ARG 22 13.961 -22.656 2.542 147 HA ARG 22 HA ARG 22 15.266 -22.231 0.873 148 1HB ARG 22 1HB ARG 22 13.019 -20.308 0.254 149 2HB ARG 22 2HB ARG 22 14.498 -20.151 -0.672 150 1HG ARG 22 1HG ARG 22 13.172 -21.666 -1.943 151 2HG ARG 22 2HG ARG 22 14.328 -22.694 -1.119 152 1HD ARG 22 1HD ARG 22 11.881 -23.482 -1.047 153 2HD ARG 22 2HD ARG 22 12.706 -23.422 0.498 154 HE ARG 22 HE ARG 22 11.359 -21.590 1.152 155 1HH1 ARG 22 1HH1 ARG 22 8.689 -20.135 -0.560 156 2HH1 ARG 22 2HH1 ARG 22 9.512 -20.258 0.959 157 1HH2 ARG 22 1HH2 ARG 22 9.461 -21.323 -2.399 158 2HH2 ARG 22 2HH2 ARG 22 10.861 -22.332 -2.252 159 H ARG 23 H ARG 23 16.750 -20.374 -0.160 160 HA ARG 23 HA ARG 23 17.844 -19.018 2.065 161 1HB ARG 23 1HB ARG 23 18.581 -19.532 -0.783 162 2HB ARG 23 2HB ARG 23 19.207 -18.029 -0.136 163 1HG ARG 23 1HG ARG 23 20.303 -19.197 1.714 164 2HG ARG 23 2HG ARG 23 19.521 -20.707 1.293 165 1HD ARG 23 1HD ARG 23 21.357 -19.250 -0.658 166 2HD ARG 23 2HD ARG 23 21.975 -20.398 0.512 167 HE ARG 23 HE ARG 23 19.849 -21.717 -0.774 168 1HH1 ARG 23 1HH1 ARG 23 21.566 -22.987 -3.534 169 2HH1 ARG 23 2HH1 ARG 23 20.152 -23.131 -2.543 170 1HH2 ARG 23 1HH2 ARG 23 23.151 -21.359 -3.064 171 2HH2 ARG 23 2HH2 ARG 23 22.921 -20.287 -1.722 172 H TYR 24 H TYR 24 15.070 -18.265 0.958 173 HA TYR 24 HA TYR 24 15.305 -15.751 -0.305 174 1HB TYR 24 1HB TYR 24 13.357 -17.686 0.526 175 2HB TYR 24 2HB TYR 24 12.937 -16.238 1.420 176 HD1 TYR 24 HD1 TYR 24 11.078 -15.264 0.424 177 HD2 TYR 24 HD2 TYR 24 14.230 -16.726 -2.073 178 HE1 TYR 24 HE1 TYR 24 9.887 -14.350 -1.628 179 HE2 TYR 24 HE2 TYR 24 13.029 -15.806 -4.116 180 HH TYR 24 HH TYR 24 10.748 -15.248 -4.761 181 H LYS 25 H LYS 25 13.558 -14.088 1.163 182 HA LYS 25 HA LYS 25 14.675 -13.780 3.801 183 1HB LYS 25 1HB LYS 25 15.720 -12.284 1.531 184 2HB LYS 25 2HB LYS 25 15.035 -11.215 2.738 185 1HG LYS 25 1HG LYS 25 16.364 -12.645 4.482 186 2HG LYS 25 2HG LYS 25 17.242 -13.276 3.103 187 1HD LYS 25 1HD LYS 25 18.413 -11.331 2.795 188 2HD LYS 25 2HD LYS 25 17.002 -10.325 3.057 189 1HE LYS 25 1HE LYS 25 18.298 -11.767 5.395 190 2HE LYS 25 2HE LYS 25 18.972 -10.259 4.810 191 1HZ LYS 25 1HZ LYS 25 16.361 -9.706 4.974 192 2HZ LYS 25 2HZ LYS 25 16.555 -10.710 6.248 193 3HZ LYS 25 3HZ LYS 25 17.459 -9.355 6.132 194 H GLN 26 H GLN 26 12.941 -13.393 5.058 195 HA GLN 26 HA GLN 26 10.698 -12.059 3.770 196 1HB GLN 26 1HB GLN 26 9.346 -13.526 4.842 197 2HB GLN 26 2HB GLN 26 10.797 -14.429 5.230 198 1HG GLN 26 1HG GLN 26 9.613 -12.206 6.961 199 2HG GLN 26 2HG GLN 26 9.403 -13.921 7.255 200 1HE2 GLN 26 1HE2 GLN 26 10.733 -11.674 8.738 201 2HE2 GLN 26 2HE2 GLN 26 12.323 -12.240 9.129 202 H ILE 27 H ILE 27 9.490 -10.413 5.018 203 HA ILE 27 HA ILE 27 10.478 -9.433 7.460 204 HB ILE 27 HB ILE 27 11.138 -7.158 6.250 205 1HG1 ILE 27 1HG1 ILE 27 12.517 -8.991 4.352 206 2HG1 ILE 27 2HG1 ILE 27 10.835 -8.631 4.016 207 1HG2 ILE 27 1HG2 ILE 27 13.488 -8.830 6.222 208 2HG2 ILE 27 2HG2 ILE 27 13.016 -7.549 7.364 209 3HG2 ILE 27 3HG2 ILE 27 12.463 -9.221 7.624 210 1HD1 ILE 27 1HD1 ILE 27 13.016 -6.546 4.495 211 2HD1 ILE 27 2HD1 ILE 27 12.342 -6.997 2.910 212 3HD1 ILE 27 3HD1 ILE 27 11.312 -6.195 4.120 213 H GLY 28 H GLY 28 8.048 -10.219 5.765 214 1HA GLY 28 1HA GLY 28 6.470 -7.825 6.442 215 2HA GLY 28 2HA GLY 28 6.332 -8.544 4.850 216 H THR 29 H THR 29 3.980 -8.683 5.736 217 HA THR 29 HA THR 29 3.693 -11.317 7.016 218 HB THR 29 HB THR 29 1.861 -8.928 7.525 219 HG1 THR 29 HG1 THR 29 3.532 -8.236 8.797 220 1HG2 THR 29 1HG2 THR 29 1.971 -11.717 8.391 221 2HG2 THR 29 2HG2 THR 29 2.217 -10.636 9.784 222 3HG2 THR 29 3HG2 THR 29 0.752 -10.481 8.784 223 H CYS 30 H CYS 30 0.910 -11.508 6.852 224 HA CYS 30 HA CYS 30 0.383 -11.130 4.010 225 1HB CYS 30 1HB CYS 30 1.282 -13.488 4.637 226 2HB CYS 30 2HB CYS 30 -0.307 -13.739 5.332 227 H GLY 31 H GLY 31 -0.953 -12.485 7.122 228 1HA GLY 31 1HA GLY 31 -3.374 -10.846 6.662 229 2HA GLY 31 2HA GLY 31 -3.431 -12.492 7.262 230 H LEU 32 H LEU 32 -4.374 -11.986 9.287 231 HA LEU 32 HA LEU 32 -3.000 -10.057 10.958 232 1HB LEU 32 1HB LEU 32 -4.920 -9.863 12.080 233 2HB LEU 32 2HB LEU 32 -5.599 -10.548 10.617 234 HG LEU 32 HG LEU 32 -5.450 -12.822 11.712 235 1HD1 LEU 32 1HD1 LEU 32 -4.205 -12.992 13.548 236 2HD1 LEU 32 2HD1 LEU 32 -4.166 -11.228 13.781 237 3HD1 LEU 32 3HD1 LEU 32 -5.531 -12.178 14.414 238 1HD2 LEU 32 1HD2 LEU 32 -7.210 -10.705 12.978 239 2HD2 LEU 32 2HD2 LEU 32 -7.565 -11.677 11.530 240 3HD2 LEU 32 3HD2 LEU 32 -7.456 -12.462 13.123 241 HA PRO 33 HA PRO 33 -2.124 -14.351 12.797 242 1HB PRO 33 1HB PRO 33 -1.594 -16.311 10.968 243 2HB PRO 33 2HB PRO 33 -3.145 -16.137 11.764 244 1HG PRO 33 1HG PRO 33 -2.399 -15.445 8.989 245 2HG PRO 33 2HG PRO 33 -3.996 -15.681 9.670 246 1HD PRO 33 1HD PRO 33 -2.748 -13.174 9.051 247 2HD PRO 33 2HD PRO 33 -4.296 -13.408 9.837 248 H GLY 34 H GLY 34 -0.562 -12.238 12.447 249 1HA GLY 34 1HA GLY 34 1.560 -11.565 11.859 250 2HA GLY 34 2HA GLY 34 1.911 -12.861 12.984 251 H THR 35 H THR 35 0.602 -13.000 9.603 252 HA THR 35 HA THR 35 2.072 -15.213 8.848 253 HB THR 35 HB THR 35 1.589 -13.421 6.611 254 HG1 THR 35 HG1 THR 35 -0.635 -13.811 8.454 255 1HG2 THR 35 1HG2 THR 35 0.752 -16.054 7.586 256 2HG2 THR 35 2HG2 THR 35 -0.650 -15.136 6.987 257 3HG2 THR 35 3HG2 THR 35 0.743 -15.430 5.919 258 H LYS 36 H LYS 36 3.858 -15.421 7.286 259 HA LYS 36 HA LYS 36 5.813 -13.272 7.732 260 1HB LYS 36 1HB LYS 36 6.251 -16.268 7.553 261 2HB LYS 36 2HB LYS 36 7.537 -15.078 7.577 262 1HG LYS 36 1HG LYS 36 5.509 -15.666 9.771 263 2HG LYS 36 2HG LYS 36 7.252 -15.834 9.853 264 1HD LYS 36 1HD LYS 36 6.082 -13.111 9.246 265 2HD LYS 36 2HD LYS 36 6.036 -13.698 10.896 266 1HE LYS 36 1HE LYS 36 8.659 -14.280 10.122 267 2HE LYS 36 2HE LYS 36 8.348 -12.766 9.297 268 1HZ LYS 36 1HZ LYS 36 7.482 -12.914 12.042 269 2HZ LYS 36 2HZ LYS 36 9.097 -12.895 11.801 270 3HZ LYS 36 3HZ LYS 36 8.173 -11.675 11.232 271 H CYS 37 H CYS 37 6.009 -12.085 5.910 272 HA CYS 37 HA CYS 37 5.554 -13.425 3.376 273 1HB CYS 37 1HB CYS 37 4.523 -11.161 4.114 274 2HB CYS 37 2HB CYS 37 6.093 -10.487 3.721 275 H CYS 38 H CYS 38 7.322 -14.269 2.332 276 HA CYS 38 HA CYS 38 9.914 -13.068 2.963 277 1HB CYS 38 1HB CYS 38 9.266 -15.621 3.315 278 2HB CYS 38 2HB CYS 38 9.680 -15.722 1.615 279 H LYS 39 H LYS 39 11.129 -12.178 1.270 280 HA LYS 39 HA LYS 39 9.922 -12.411 -1.399 281 1HB LYS 39 1HB LYS 39 9.909 -10.188 -1.640 282 2HB LYS 39 2HB LYS 39 10.056 -10.123 0.104 283 1HG LYS 39 1HG LYS 39 12.660 -10.348 -0.385 284 2HG LYS 39 2HG LYS 39 12.220 -9.798 -1.989 285 1HD LYS 39 1HD LYS 39 10.868 -8.136 -0.031 286 2HD LYS 39 2HD LYS 39 12.569 -8.218 0.380 287 1HE LYS 39 1HE LYS 39 11.925 -7.798 -2.522 288 2HE LYS 39 2HE LYS 39 11.564 -6.462 -1.447 289 1HZ LYS 39 1HZ LYS 39 14.163 -7.787 -1.772 290 2HZ LYS 39 2HZ LYS 39 13.778 -6.257 -2.193 291 3HZ LYS 39 3HZ LYS 39 13.858 -6.675 -0.616 292 H LYS 40 H LYS 40 11.735 -11.659 -3.111 293 HA LYS 40 HA LYS 40 13.703 -13.662 -2.961 294 1HB LYS 40 1HB LYS 40 14.451 -12.796 -5.087 295 2HB LYS 40 2HB LYS 40 12.700 -12.841 -5.060 296 1HG LYS 40 1HG LYS 40 13.767 -10.280 -4.048 297 2HG LYS 40 2HG LYS 40 14.287 -10.613 -5.688 298 1HD LYS 40 1HD LYS 40 11.595 -11.327 -5.775 299 2HD LYS 40 2HD LYS 40 11.578 -9.973 -4.663 300 1HE LYS 40 1HE LYS 40 12.710 -8.533 -6.303 301 2HE LYS 40 2HE LYS 40 12.949 -9.886 -7.391 302 1HZ LYS 40 1HZ LYS 40 10.381 -10.040 -7.165 303 2HZ LYS 40 2HZ LYS 40 10.503 -8.459 -6.775 304 3HZ LYS 40 3HZ LYS 40 11.061 -8.990 -8.215 305 HA PRO 41 HA PRO 41 16.743 -11.541 -0.729 306 1HB PRO 41 1HB PRO 41 18.863 -13.208 -1.169 307 2HB PRO 41 2HB PRO 41 17.638 -13.516 0.046 308 1HG PRO 41 1HG PRO 41 18.009 -14.818 -2.581 309 2HG PRO 41 2HG PRO 41 17.088 -15.377 -1.199 310 1HD PRO 41 1HD PRO 41 16.042 -14.203 -3.598 311 2HD PRO 41 2HD PRO 41 15.133 -14.656 -2.170 Start of MODEL 10 1 H GLY 1 H GLY 1 1.884 0.000 0.829 2 1HA GLY 1 1HA GLY 1 2.613 -0.941 -1.350 3 2HA GLY 1 2HA GLY 1 1.385 0.067 -2.088 4 H ILE 2 H ILE 2 3.717 0.598 -3.158 5 HA ILE 2 HA ILE 2 5.693 1.975 -2.106 6 HB ILE 2 HB ILE 2 4.170 2.250 -4.632 7 1HG1 ILE 2 1HG1 ILE 2 6.663 1.111 -3.670 8 2HG1 ILE 2 2HG1 ILE 2 5.754 0.759 -5.127 9 1HG2 ILE 2 1HG2 ILE 2 4.520 4.589 -4.121 10 2HG2 ILE 2 2HG2 ILE 2 6.237 4.288 -3.761 11 3HG2 ILE 2 3HG2 ILE 2 5.626 4.083 -5.421 12 1HD1 ILE 2 1HD1 ILE 2 8.042 1.655 -5.614 13 2HD1 ILE 2 2HD1 ILE 2 6.756 2.688 -6.282 14 3HD1 ILE 2 3HD1 ILE 2 7.599 3.170 -4.790 15 H GLY 3 H GLY 3 5.683 3.327 -0.383 16 1HA GLY 3 1HA GLY 3 5.480 5.542 0.369 17 2HA GLY 3 2HA GLY 3 4.040 5.754 -0.607 18 H ASP 4 H ASP 4 5.256 3.611 2.072 19 HA ASP 4 HA ASP 4 2.564 3.777 3.175 20 1HB ASP 4 1HB ASP 4 4.363 1.765 4.364 21 2HB ASP 4 2HB ASP 4 2.726 1.574 3.768 22 HD2 ASP 4 HD2 ASP 4 3.184 -0.283 2.754 23 HA PRO 5 HA PRO 5 4.343 5.283 6.919 24 1HB PRO 5 1HB PRO 5 3.608 3.639 8.974 25 2HB PRO 5 2HB PRO 5 2.527 4.814 8.254 26 1HG PRO 5 1HG PRO 5 2.561 1.877 7.919 27 2HG PRO 5 2HG PRO 5 1.268 3.007 7.568 28 1HD PRO 5 1HD PRO 5 3.012 1.751 5.668 29 2HD PRO 5 2HD PRO 5 1.797 2.968 5.331 30 H VAL 6 H VAL 6 4.796 1.841 7.600 31 HA VAL 6 HA VAL 6 7.380 2.378 8.668 32 HB VAL 6 HB VAL 6 5.590 0.047 8.255 33 1HG1 VAL 6 1HG1 VAL 6 8.590 -0.143 8.293 34 2HG1 VAL 6 2HG1 VAL 6 7.615 -1.397 9.096 35 3HG1 VAL 6 3HG1 VAL 6 7.402 -1.081 7.357 36 1HG2 VAL 6 1HG2 VAL 6 6.217 1.652 10.378 37 2HG2 VAL 6 2HG2 VAL 6 5.540 0.012 10.510 38 3HG2 VAL 6 3HG2 VAL 6 7.296 0.264 10.656 39 H THR 7 H THR 7 6.276 0.384 5.829 40 HA THR 7 HA THR 7 8.688 -0.101 4.694 41 HB THR 7 HB THR 7 5.864 -0.001 3.910 42 HG1 THR 7 HG1 THR 7 7.064 -1.955 4.080 43 1HG2 THR 7 1HG2 THR 7 6.206 0.128 1.481 44 2HG2 THR 7 2HG2 THR 7 6.776 1.655 2.197 45 3HG2 THR 7 3HG2 THR 7 7.949 0.410 1.705 46 H CYS 8 H CYS 8 7.076 3.015 4.967 47 HA CYS 8 HA CYS 8 8.080 4.426 2.916 48 1HB CYS 8 1HB CYS 8 6.863 5.016 5.316 49 2HB CYS 8 2HB CYS 8 8.409 5.825 5.473 50 H LEU 9 H LEU 9 9.799 2.928 5.623 51 HA LEU 9 HA LEU 9 12.206 4.437 5.186 52 1HB LEU 9 1HB LEU 9 12.276 1.943 6.763 53 2HB LEU 9 2HB LEU 9 12.948 3.524 7.107 54 HG LEU 9 HG LEU 9 10.060 3.650 7.188 55 1HD1 LEU 9 1HD1 LEU 9 11.165 1.763 9.258 56 2HD1 LEU 9 2HD1 LEU 9 9.472 2.105 8.827 57 3HD1 LEU 9 3HD1 LEU 9 10.500 1.163 7.720 58 1HD2 LEU 9 1HD2 LEU 9 11.787 5.189 8.223 59 2HD2 LEU 9 2HD2 LEU 9 10.422 4.719 9.265 60 3HD2 LEU 9 3HD2 LEU 9 12.012 3.945 9.477 61 H LYS 10 H LYS 10 10.989 1.087 4.561 62 HA LYS 10 HA LYS 10 13.155 -0.133 3.594 63 1HB LYS 10 1HB LYS 10 10.605 -0.792 3.673 64 2HB LYS 10 2HB LYS 10 10.622 -0.302 1.991 65 1HG LYS 10 1HG LYS 10 11.138 -2.639 1.966 66 2HG LYS 10 2HG LYS 10 12.665 -1.830 1.676 67 1HD LYS 10 1HD LYS 10 13.276 -2.065 4.072 68 2HD LYS 10 2HD LYS 10 11.724 -2.802 4.415 69 1HE LYS 10 1HE LYS 10 12.601 -4.410 2.352 70 2HE LYS 10 2HE LYS 10 14.129 -3.976 3.093 71 1HZ LYS 10 1HZ LYS 10 11.891 -5.419 4.258 72 2HZ LYS 10 2HZ LYS 10 13.486 -5.767 4.314 73 3HZ LYS 10 3HZ LYS 10 12.877 -4.573 5.247 74 H SER 11 H SER 11 11.487 2.641 2.149 75 HA SER 11 HA SER 11 13.405 3.742 0.837 76 1HB SER 11 1HB SER 11 13.186 2.733 -1.591 77 2HB SER 11 2HB SER 11 14.270 1.988 -0.433 78 HG SER 11 HG SER 11 13.153 0.227 -1.027 79 H GLY 12 H GLY 12 10.854 4.335 1.855 80 1HA GLY 12 1HA GLY 12 9.218 4.979 -0.510 81 2HA GLY 12 2HA GLY 12 8.665 4.900 1.151 82 H ALA 13 H ALA 13 10.830 6.360 2.416 83 HA ALA 13 HA ALA 13 11.565 8.721 1.304 84 1HB ALA 13 1HB ALA 13 9.503 9.988 2.678 85 2HB ALA 13 2HB ALA 13 9.628 9.814 0.911 86 3HB ALA 13 3HB ALA 13 8.680 8.640 1.856 87 H ILE 14 H ILE 14 12.219 10.353 3.006 88 HA ILE 14 HA ILE 14 13.313 8.983 5.205 89 HB ILE 14 HB ILE 14 13.878 11.371 5.922 90 1HG1 ILE 14 1HG1 ILE 14 13.636 12.634 3.429 91 2HG1 ILE 14 2HG1 ILE 14 12.065 11.912 3.714 92 1HG2 ILE 14 1HG2 ILE 14 15.769 11.322 4.620 93 2HG2 ILE 14 2HG2 ILE 14 15.209 9.639 4.465 94 3HG2 ILE 14 3HG2 ILE 14 14.890 10.807 3.160 95 1HD1 ILE 14 1HD1 ILE 14 12.052 12.944 6.021 96 2HD1 ILE 14 2HD1 ILE 14 13.576 13.767 5.609 97 3HD1 ILE 14 3HD1 ILE 14 12.089 14.142 4.705 98 H CYS 15 H CYS 15 12.970 9.604 7.536 99 HA CYS 15 HA CYS 15 10.096 9.938 7.967 100 1HB CYS 15 1HB CYS 15 12.218 8.428 9.469 101 2HB CYS 15 2HB CYS 15 10.744 8.931 10.272 102 H HIS 16 H HIS 16 9.582 11.999 8.618 103 HA HIS 16 HA HIS 16 11.324 13.235 10.588 104 1HB HIS 16 1HB HIS 16 10.820 14.231 7.830 105 2HB HIS 16 2HB HIS 16 10.740 15.421 9.114 106 HD1 HIS 16 HD1 HIS 16 12.946 16.100 10.276 107 HD2 HIS 16 HD2 HIS 16 13.401 13.052 7.430 108 HE1 HIS 16 HE1 HIS 16 15.456 15.841 9.901 109 HE2 HIS 16 HE2 HIS 16 15.675 13.917 8.184 110 HA PRO 17 HA PRO 17 7.187 13.710 12.019 111 1HB PRO 17 1HB PRO 17 7.809 14.076 14.655 112 2HB PRO 17 2HB PRO 17 7.564 12.496 13.938 113 1HG PRO 17 1HG PRO 17 10.097 13.804 14.721 114 2HG PRO 17 2HG PRO 17 9.788 12.108 14.411 115 1HD PRO 17 1HD PRO 17 11.103 13.960 12.660 116 2HD PRO 17 2HD PRO 17 10.691 12.294 12.305 117 H VAL 18 H VAL 18 7.211 15.641 10.606 118 HA VAL 18 HA VAL 18 6.327 17.819 11.976 119 HB VAL 18 HB VAL 18 8.549 19.233 11.398 120 1HG1 VAL 18 1HG1 VAL 18 8.113 19.779 13.515 121 2HG1 VAL 18 2HG1 VAL 18 7.200 18.270 13.749 122 3HG1 VAL 18 3HG1 VAL 18 8.954 18.304 14.047 123 1HG2 VAL 18 1HG2 VAL 18 9.540 16.725 11.051 124 2HG2 VAL 18 2HG2 VAL 18 10.514 18.123 11.568 125 3HG2 VAL 18 3HG2 VAL 18 9.888 16.978 12.779 126 H PHE 19 H PHE 19 8.924 18.259 9.558 127 HA PHE 19 HA PHE 19 6.851 18.444 7.495 128 1HB PHE 19 1HB PHE 19 8.492 20.507 8.724 129 2HB PHE 19 2HB PHE 19 9.087 20.285 7.090 130 HD1 PHE 19 HD1 PHE 19 8.109 21.517 5.404 131 HD2 PHE 19 HD2 PHE 19 5.842 20.695 8.896 132 HE1 PHE 19 HE1 PHE 19 6.242 22.950 4.530 133 HE2 PHE 19 HE2 PHE 19 3.976 22.127 8.022 134 HZ PHE 19 HZ PHE 19 4.198 23.238 5.850 135 H CYS 20 H CYS 20 8.725 19.299 5.444 136 HA CYS 20 HA CYS 20 10.580 17.043 5.387 137 1HB CYS 20 1HB CYS 20 9.150 16.045 3.976 138 2HB CYS 20 2HB CYS 20 8.296 17.530 3.602 139 HA PRO 21 HA PRO 21 12.804 20.764 4.337 140 1HB PRO 21 1HB PRO 21 15.242 19.943 5.258 141 2HB PRO 21 2HB PRO 21 14.070 20.776 6.260 142 1HG PRO 21 1HG PRO 21 14.797 17.910 6.249 143 2HG PRO 21 2HG PRO 21 13.969 18.828 7.491 144 1HD PRO 21 1HD PRO 21 12.779 17.003 5.626 145 2HD PRO 21 2HD PRO 21 11.939 18.007 6.790 146 H ARG 22 H ARG 22 14.878 21.252 3.056 147 HA ARG 22 HA ARG 22 16.111 20.899 1.304 148 1HB ARG 22 1HB ARG 22 15.212 17.983 1.185 149 2HB ARG 22 2HB ARG 22 16.671 18.667 0.496 150 1HG ARG 22 1HG ARG 22 16.041 18.516 3.483 151 2HG ARG 22 2HG ARG 22 17.125 17.438 2.626 152 1HD ARG 22 1HD ARG 22 18.713 18.956 3.342 153 2HD ARG 22 2HD ARG 22 18.243 19.795 1.876 154 HE ARG 22 HE ARG 22 16.450 20.629 3.914 155 1HH1 ARG 22 1HH1 ARG 22 18.290 23.356 5.079 156 2HH1 ARG 22 2HH1 ARG 22 16.730 22.605 5.026 157 1HH2 ARG 22 1HH2 ARG 22 20.096 22.354 4.018 158 2HH2 ARG 22 2HH2 ARG 22 19.883 20.856 3.175 159 H ARG 23 H ARG 23 15.881 20.186 -1.170 160 HA ARG 23 HA ARG 23 13.344 21.135 -1.960 161 1HB ARG 23 1HB ARG 23 15.953 20.483 -3.250 162 2HB ARG 23 2HB ARG 23 14.564 20.248 -4.292 163 1HG ARG 23 1HG ARG 23 13.819 22.559 -3.929 164 2HG ARG 23 2HG ARG 23 15.052 22.813 -2.709 165 1HD ARG 23 1HD ARG 23 16.318 21.856 -5.148 166 2HD ARG 23 2HD ARG 23 15.280 23.213 -5.537 167 HE ARG 23 HE ARG 23 16.629 24.637 -4.203 168 1HH1 ARG 23 1HH1 ARG 23 19.663 23.888 -2.649 169 2HH1 ARG 23 2HH1 ARG 23 18.590 25.152 -3.149 170 1HH2 ARG 23 1HH2 ARG 23 19.108 21.670 -3.049 171 2HH2 ARG 23 2HH2 ARG 23 17.622 21.279 -3.848 172 H TYR 24 H TYR 24 13.680 18.398 -0.551 173 HA TYR 24 HA TYR 24 13.133 16.395 -2.465 174 1HB TYR 24 1HB TYR 24 13.616 16.767 0.339 175 2HB TYR 24 2HB TYR 24 12.013 16.063 0.264 176 HD1 TYR 24 HD1 TYR 24 12.054 13.794 0.712 177 HD2 TYR 24 HD2 TYR 24 15.208 15.481 -1.635 178 HE1 TYR 24 HE1 TYR 24 13.086 11.488 0.429 179 HE2 TYR 24 HE2 TYR 24 16.230 13.169 -1.910 180 HH TYR 24 HH TYR 24 15.000 10.431 -0.121 181 H LYS 25 H LYS 25 10.904 15.031 -1.366 182 HA LYS 25 HA LYS 25 8.669 16.847 -1.444 183 1HB LYS 25 1HB LYS 25 9.512 15.305 -3.812 184 2HB LYS 25 2HB LYS 25 7.832 15.077 -3.371 185 1HG LYS 25 1HG LYS 25 8.638 17.906 -3.183 186 2HG LYS 25 2HG LYS 25 8.903 17.260 -4.790 187 1HD LYS 25 1HD LYS 25 6.661 18.039 -4.860 188 2HD LYS 25 2HD LYS 25 6.492 16.308 -4.641 189 1HE LYS 25 1HE LYS 25 6.087 16.574 -2.244 190 2HE LYS 25 2HE LYS 25 6.502 18.276 -2.307 191 1HZ LYS 25 1HZ LYS 25 4.173 18.089 -2.352 192 2HZ LYS 25 2HZ LYS 25 4.613 18.532 -3.861 193 3HZ LYS 25 3HZ LYS 25 4.182 16.987 -3.558 194 H GLN 26 H GLN 26 7.447 16.178 0.228 195 HA GLN 26 HA GLN 26 7.576 13.347 0.869 196 1HB GLN 26 1HB GLN 26 7.428 13.929 3.072 197 2HB GLN 26 2HB GLN 26 7.953 15.501 2.503 198 1HG GLN 26 1HG GLN 26 4.999 14.803 2.534 199 2HG GLN 26 2HG GLN 26 5.793 15.329 4.005 200 1HE2 GLN 26 1HE2 GLN 26 4.702 16.193 0.834 201 2HE2 GLN 26 2HE2 GLN 26 4.927 17.907 0.938 202 H ILE 27 H ILE 27 5.464 12.354 1.724 203 HA ILE 27 HA ILE 27 2.990 13.453 1.297 204 HB ILE 27 HB ILE 27 2.601 11.941 -0.898 205 1HG1 ILE 27 1HG1 ILE 27 5.109 13.298 -1.744 206 2HG1 ILE 27 2HG1 ILE 27 5.297 11.822 -0.818 207 1HG2 ILE 27 1HG2 ILE 27 1.747 13.892 -1.508 208 2HG2 ILE 27 2HG2 ILE 27 2.658 14.704 -0.213 209 3HG2 ILE 27 3HG2 ILE 27 3.381 14.521 -1.829 210 1HD1 ILE 27 1HD1 ILE 27 4.383 10.491 -2.471 211 2HD1 ILE 27 2HD1 ILE 27 3.250 11.755 -3.007 212 3HD1 ILE 27 3HD1 ILE 27 4.958 11.822 -3.504 213 H GLY 28 H GLY 28 4.754 11.575 2.888 214 1HA GLY 28 1HA GLY 28 2.779 9.404 3.067 215 2HA GLY 28 2HA GLY 28 4.476 9.005 2.893 216 H THR 29 H THR 29 3.614 7.970 5.118 217 HA THR 29 HA THR 29 4.278 9.920 7.227 218 HB THR 29 HB THR 29 2.514 7.463 7.592 219 HG1 THR 29 HG1 THR 29 0.997 8.606 6.457 220 1HG2 THR 29 1HG2 THR 29 2.705 8.380 9.721 221 2HG2 THR 29 2HG2 THR 29 3.179 9.977 9.094 222 3HG2 THR 29 3HG2 THR 29 1.466 9.495 9.096 223 H CYS 30 H CYS 30 4.580 8.140 9.345 224 HA CYS 30 HA CYS 30 6.616 6.281 8.410 225 1HB CYS 30 1HB CYS 30 7.619 8.545 9.063 226 2HB CYS 30 2HB CYS 30 7.170 8.150 10.710 227 H GLY 31 H GLY 31 6.595 7.120 11.787 228 1HA GLY 31 1HA GLY 31 4.918 4.753 12.363 229 2HA GLY 31 2HA GLY 31 6.285 5.286 13.322 230 H LEU 32 H LEU 32 6.121 7.595 14.267 231 HA LEU 32 HA LEU 32 3.986 7.779 15.940 232 1HB LEU 32 1HB LEU 32 4.723 9.996 16.435 233 2HB LEU 32 2HB LEU 32 6.112 8.953 16.198 234 HG LEU 32 HG LEU 32 5.373 10.281 13.718 235 1HD1 LEU 32 1HD1 LEU 32 5.344 12.480 14.223 236 2HD1 LEU 32 2HD1 LEU 32 4.712 11.890 15.779 237 3HD1 LEU 32 3HD1 LEU 32 6.438 12.292 15.615 238 1HD2 LEU 32 1HD2 LEU 32 7.606 9.175 14.745 239 2HD2 LEU 32 2HD2 LEU 32 7.609 10.362 13.419 240 3HD2 LEU 32 3HD2 LEU 32 7.930 10.891 15.088 241 HA PRO 33 HA PRO 33 0.692 9.426 13.692 242 1HB PRO 33 1HB PRO 33 -0.596 11.007 15.511 243 2HB PRO 33 2HB PRO 33 -0.747 9.262 15.482 244 1HG PRO 33 1HG PRO 33 0.786 10.959 17.355 245 2HG PRO 33 2HG PRO 33 0.278 9.293 17.548 246 1HD PRO 33 1HD PRO 33 2.913 10.219 16.895 247 2HD PRO 33 2HD PRO 33 2.377 8.552 16.973 248 H GLY 34 H GLY 34 0.596 10.744 11.994 249 1HA GLY 34 1HA GLY 34 0.577 12.766 10.944 250 2HA GLY 34 2HA GLY 34 0.968 13.570 12.451 251 H THR 35 H THR 35 2.694 10.879 10.735 252 HA THR 35 HA THR 35 5.178 12.331 11.041 253 HB THR 35 HB THR 35 5.384 9.878 9.513 254 HG1 THR 35 HG1 THR 35 4.218 8.590 11.208 255 1HG2 THR 35 1HG2 THR 35 7.148 10.004 11.009 256 2HG2 THR 35 2HG2 THR 35 6.203 10.949 12.184 257 3HG2 THR 35 3HG2 THR 35 6.013 9.181 12.104 258 H LYS 36 H LYS 36 6.651 12.799 9.290 259 HA LYS 36 HA LYS 36 5.196 13.271 6.781 260 1HB LYS 36 1HB LYS 36 7.205 15.024 8.215 261 2HB LYS 36 2HB LYS 36 6.761 15.256 6.536 262 1HG LYS 36 1HG LYS 36 4.981 15.476 8.991 263 2HG LYS 36 2HG LYS 36 5.313 16.703 7.785 264 1HD LYS 36 1HD LYS 36 3.898 14.094 7.091 265 2HD LYS 36 2HD LYS 36 3.022 15.511 7.637 266 1HE LYS 36 1HE LYS 36 4.909 16.258 5.535 267 2HE LYS 36 2HE LYS 36 3.898 14.936 4.986 268 1HZ LYS 36 1HZ LYS 36 2.182 16.294 4.862 269 2HZ LYS 36 2HZ LYS 36 2.386 16.869 6.377 270 3HZ LYS 36 3HZ LYS 36 3.190 17.551 5.129 271 H CYS 37 H CYS 37 5.851 11.686 5.409 272 HA CYS 37 HA CYS 37 8.658 10.915 5.523 273 1HB CYS 37 1HB CYS 37 6.665 9.258 5.592 274 2HB CYS 37 2HB CYS 37 6.546 9.556 3.869 275 H CYS 38 H CYS 38 9.994 12.006 4.124 276 HA CYS 38 HA CYS 38 8.765 13.120 1.722 277 1HB CYS 38 1HB CYS 38 10.213 14.421 3.542 278 2HB CYS 38 2HB CYS 38 11.538 13.830 2.558 279 H LYS 39 H LYS 39 9.499 12.466 -0.333 280 HA LYS 39 HA LYS 39 11.547 10.359 -0.295 281 1HB LYS 39 1HB LYS 39 10.395 9.241 -2.045 282 2HB LYS 39 2HB LYS 39 9.208 9.607 -0.810 283 1HG LYS 39 1HG LYS 39 7.979 10.528 -2.495 284 2HG LYS 39 2HG LYS 39 9.079 11.888 -2.383 285 1HD LYS 39 1HD LYS 39 9.404 11.433 -4.618 286 2HD LYS 39 2HD LYS 39 10.580 10.297 -3.987 287 1HE LYS 39 1HE LYS 39 8.157 8.867 -3.873 288 2HE LYS 39 2HE LYS 39 8.032 9.768 -5.371 289 1HZ LYS 39 1HZ LYS 39 9.233 7.527 -5.342 290 2HZ LYS 39 2HZ LYS 39 9.880 8.748 -6.211 291 3HZ LYS 39 3HZ LYS 39 10.507 8.362 -4.754 292 H LYS 40 H LYS 40 12.620 10.154 -2.584 293 HA LYS 40 HA LYS 40 13.921 12.593 -3.057 294 1HB LYS 40 1HB LYS 40 15.070 10.518 -3.398 295 2HB LYS 40 2HB LYS 40 13.871 9.958 -4.547 296 1HG LYS 40 1HG LYS 40 15.385 10.758 -6.085 297 2HG LYS 40 2HG LYS 40 14.563 12.276 -5.784 298 1HD LYS 40 1HD LYS 40 16.773 12.936 -5.444 299 2HD LYS 40 2HD LYS 40 16.324 12.514 -3.804 300 1HE LYS 40 1HE LYS 40 17.161 10.059 -4.857 301 2HE LYS 40 2HE LYS 40 18.255 11.196 -5.621 302 1HZ LYS 40 1HZ LYS 40 19.292 10.827 -3.659 303 2HZ LYS 40 2HZ LYS 40 18.395 12.118 -3.218 304 3HZ LYS 40 3HZ LYS 40 17.919 10.613 -2.801 305 HA PRO 41 HA PRO 41 11.158 14.415 -5.844 306 1HB PRO 41 1HB PRO 41 12.742 16.430 -6.790 307 2HB PRO 41 2HB PRO 41 11.875 16.526 -5.270 308 1HG PRO 41 1HG PRO 41 14.761 16.082 -5.732 309 2HG PRO 41 2HG PRO 41 13.951 16.598 -4.267 310 1HD PRO 41 1HD PRO 41 14.978 13.980 -4.828 311 2HD PRO 41 2HD PRO 41 14.066 14.467 -3.413 Start of MODEL 11 1 H GLY 1 H GLY 1 1.884 0.000 0.829 2 1HA GLY 1 1HA GLY 1 2.136 -1.016 -1.636 3 2HA GLY 1 2HA GLY 1 1.546 0.596 -1.990 4 H ILE 2 H ILE 2 3.787 0.666 -3.072 5 HA ILE 2 HA ILE 2 6.185 0.537 -2.339 6 HB ILE 2 HB ILE 2 4.719 2.867 -3.402 7 1HG1 ILE 2 1HG1 ILE 2 6.564 0.789 -4.298 8 2HG1 ILE 2 2HG1 ILE 2 5.371 1.705 -5.199 9 1HG2 ILE 2 1HG2 ILE 2 7.586 3.132 -2.454 10 2HG2 ILE 2 2HG2 ILE 2 6.711 4.295 -3.480 11 3HG2 ILE 2 3HG2 ILE 2 6.173 4.002 -1.809 12 1HD1 ILE 2 1HD1 ILE 2 7.672 2.163 -6.017 13 2HD1 ILE 2 2HD1 ILE 2 6.924 3.634 -5.350 14 3HD1 ILE 2 3HD1 ILE 2 8.131 2.738 -4.396 15 H GLY 3 H GLY 3 7.260 0.422 -0.449 16 1HA GLY 3 1HA GLY 3 7.712 2.488 1.275 17 2HA GLY 3 2HA GLY 3 6.256 1.736 1.897 18 H ASP 4 H ASP 4 9.477 0.714 0.538 19 HA ASP 4 HA ASP 4 9.656 -1.085 2.819 20 1HB ASP 4 1HB ASP 4 11.064 -1.994 0.381 21 2HB ASP 4 2HB ASP 4 10.082 -2.914 1.504 22 HD2 ASP 4 HD2 ASP 4 9.187 -3.898 -0.497 23 HA PRO 5 HA PRO 5 13.884 0.176 2.887 24 1HB PRO 5 1HB PRO 5 15.486 -2.037 2.784 25 2HB PRO 5 2HB PRO 5 14.634 -1.536 4.232 26 1HG PRO 5 1HG PRO 5 14.010 -3.763 2.390 27 2HG PRO 5 2HG PRO 5 13.451 -3.507 4.031 28 1HD PRO 5 1HD PRO 5 11.959 -3.066 1.622 29 2HD PRO 5 2HD PRO 5 11.443 -2.700 3.256 30 H VAL 6 H VAL 6 13.385 -2.023 0.222 31 HA VAL 6 HA VAL 6 15.551 -0.714 -1.214 32 HB VAL 6 HB VAL 6 14.030 -3.248 -1.401 33 1HG1 VAL 6 1HG1 VAL 6 14.908 -1.679 -3.822 34 2HG1 VAL 6 2HG1 VAL 6 14.914 -3.459 -3.834 35 3HG1 VAL 6 3HG1 VAL 6 13.396 -2.575 -3.545 36 1HG2 VAL 6 1HG2 VAL 6 16.864 -2.700 -2.287 37 2HG2 VAL 6 2HG2 VAL 6 16.443 -2.856 -0.565 38 3HG2 VAL 6 3HG2 VAL 6 16.149 -4.212 -1.679 39 H THR 7 H THR 7 12.109 -1.658 -1.929 40 HA THR 7 HA THR 7 11.728 -0.067 -4.107 41 HB THR 7 HB THR 7 10.146 -1.523 -2.130 42 HG1 THR 7 HG1 THR 7 10.510 -1.799 -4.529 43 1HG2 THR 7 1HG2 THR 7 8.825 0.930 -3.401 44 2HG2 THR 7 2HG2 THR 7 8.031 -0.309 -2.399 45 3HG2 THR 7 3HG2 THR 7 9.209 0.807 -1.667 46 H CYS 8 H CYS 8 12.007 0.929 -0.723 47 HA CYS 8 HA CYS 8 10.749 3.292 -0.669 48 1HB CYS 8 1HB CYS 8 11.731 3.101 1.313 49 2HB CYS 8 2HB CYS 8 13.031 2.113 0.677 50 H LEU 9 H LEU 9 13.812 2.441 -2.344 51 HA LEU 9 HA LEU 9 14.338 5.143 -3.120 52 1HB LEU 9 1HB LEU 9 15.655 3.023 -4.639 53 2HB LEU 9 2HB LEU 9 16.330 4.373 -3.747 54 HG LEU 9 HG LEU 9 15.261 2.381 -1.926 55 1HD1 LEU 9 1HD1 LEU 9 17.529 1.356 -3.633 56 2HD1 LEU 9 2HD1 LEU 9 16.571 0.492 -2.407 57 3HD1 LEU 9 3HD1 LEU 9 15.829 0.945 -3.961 58 1HD2 LEU 9 1HD2 LEU 9 17.944 2.468 -1.485 59 2HD2 LEU 9 2HD2 LEU 9 17.681 4.022 -2.312 60 3HD2 LEU 9 3HD2 LEU 9 16.769 3.635 -0.833 61 H LYS 10 H LYS 10 13.008 2.165 -4.681 62 HA LYS 10 HA LYS 10 12.774 2.921 -7.233 63 1HB LYS 10 1HB LYS 10 11.891 0.836 -5.897 64 2HB LYS 10 2HB LYS 10 10.376 1.716 -5.883 65 1HG LYS 10 1HG LYS 10 10.231 0.440 -7.870 66 2HG LYS 10 2HG LYS 10 10.727 2.017 -8.450 67 1HD LYS 10 1HD LYS 10 13.063 1.303 -8.612 68 2HD LYS 10 2HD LYS 10 12.709 -0.214 -7.810 69 1HE LYS 10 1HE LYS 10 11.343 -0.979 -9.686 70 2HE LYS 10 2HE LYS 10 11.403 0.599 -10.446 71 1HZ LYS 10 1HZ LYS 10 13.057 -1.323 -11.061 72 2HZ LYS 10 2HZ LYS 10 13.489 0.248 -11.158 73 3HZ LYS 10 3HZ LYS 10 13.942 -0.645 -9.868 74 H SER 11 H SER 11 11.100 4.341 -4.451 75 HA SER 11 HA SER 11 10.656 6.724 -5.293 76 1HB SER 11 1HB SER 11 8.836 4.943 -6.875 77 2HB SER 11 2HB SER 11 8.135 6.432 -6.273 78 HG SER 11 HG SER 11 10.477 6.158 -7.952 79 H GLY 12 H GLY 12 10.751 5.311 -2.893 80 1HA GLY 12 1HA GLY 12 8.016 5.495 -1.796 81 2HA GLY 12 2HA GLY 12 9.328 4.535 -1.141 82 H ALA 13 H ALA 13 11.465 6.485 -1.362 83 HA ALA 13 HA ALA 13 10.747 8.948 -0.232 84 1HB ALA 13 1HB ALA 13 11.006 6.661 1.612 85 2HB ALA 13 2HB ALA 13 12.058 8.036 2.027 86 3HB ALA 13 3HB ALA 13 10.300 8.273 1.882 87 H ILE 14 H ILE 14 12.728 10.198 0.396 88 HA ILE 14 HA ILE 14 14.821 9.589 -1.409 89 HB ILE 14 HB ILE 14 15.894 11.576 -0.198 90 1HG1 ILE 14 1HG1 ILE 14 13.522 12.722 0.812 91 2HG1 ILE 14 2HG1 ILE 14 13.603 11.117 1.510 92 1HG2 ILE 14 1HG2 ILE 14 14.812 11.736 -2.372 93 2HG2 ILE 14 2HG2 ILE 14 13.219 11.881 -1.591 94 3HG2 ILE 14 3HG2 ILE 14 14.435 13.163 -1.376 95 1HD1 ILE 14 1HD1 ILE 14 15.958 11.556 2.238 96 2HD1 ILE 14 2HD1 ILE 14 15.834 13.200 1.569 97 3HD1 ILE 14 3HD1 ILE 14 14.807 12.718 2.941 98 H CYS 15 H CYS 15 17.173 9.465 -0.723 99 HA CYS 15 HA CYS 15 17.322 7.575 1.490 100 1HB CYS 15 1HB CYS 15 18.907 8.010 -1.004 101 2HB CYS 15 2HB CYS 15 19.724 7.332 0.390 102 H HIS 16 H HIS 16 17.982 8.434 3.428 103 HA HIS 16 HA HIS 16 20.251 10.158 3.485 104 1HB HIS 16 1HB HIS 16 17.497 11.249 3.894 105 2HB HIS 16 2HB HIS 16 18.773 11.827 4.945 106 HD1 HIS 16 HD1 HIS 16 20.827 13.077 3.762 107 HD2 HIS 16 HD2 HIS 16 17.528 12.266 1.301 108 HE1 HIS 16 HE1 HIS 16 21.110 14.531 1.684 109 HE2 HIS 16 HE2 HIS 16 19.083 13.948 0.186 110 HA PRO 17 HA PRO 17 20.370 7.827 7.162 111 1HB PRO 17 1HB PRO 17 22.840 8.612 8.028 112 2HB PRO 17 2HB PRO 17 22.597 7.327 6.861 113 1HG PRO 17 1HG PRO 17 23.545 10.090 6.405 114 2HG PRO 17 2HG PRO 17 23.696 8.692 5.360 115 1HD PRO 17 1HD PRO 17 21.847 10.865 5.063 116 2HD PRO 17 2HD PRO 17 21.922 9.411 4.088 117 H VAL 18 H VAL 18 20.688 8.064 9.568 118 HA VAL 18 HA VAL 18 19.930 9.066 11.393 119 HB VAL 18 HB VAL 18 20.933 11.145 11.952 120 1HG1 VAL 18 1HG1 VAL 18 22.392 8.998 10.793 121 2HG1 VAL 18 2HG1 VAL 18 23.197 10.508 10.304 122 3HG1 VAL 18 3HG1 VAL 18 22.931 10.160 12.029 123 1HG2 VAL 18 1HG2 VAL 18 21.671 12.795 10.481 124 2HG2 VAL 18 2HG2 VAL 18 21.780 11.669 9.107 125 3HG2 VAL 18 3HG2 VAL 18 20.187 12.205 9.693 126 H PHE 19 H PHE 19 19.114 11.897 11.726 127 HA PHE 19 HA PHE 19 16.440 11.674 11.311 128 1HB PHE 19 1HB PHE 19 18.233 14.173 11.169 129 2HB PHE 19 2HB PHE 19 16.523 14.204 11.551 130 HD1 PHE 19 HD1 PHE 19 19.855 13.659 12.832 131 HD2 PHE 19 HD2 PHE 19 15.726 13.198 13.694 132 HE1 PHE 19 HE1 PHE 19 20.394 13.386 15.268 133 HE2 PHE 19 HE2 PHE 19 16.265 12.925 16.130 134 HZ PHE 19 HZ PHE 19 18.593 13.022 16.888 135 H CYS 20 H CYS 20 15.241 13.617 9.929 136 HA CYS 20 HA CYS 20 16.166 13.178 7.183 137 1HB CYS 20 1HB CYS 20 14.174 12.046 7.220 138 2HB CYS 20 2HB CYS 20 13.449 13.109 8.410 139 HA PRO 21 HA PRO 21 16.528 17.556 7.378 140 1HB PRO 21 1HB PRO 21 17.616 17.942 4.901 141 2HB PRO 21 2HB PRO 21 18.569 17.527 6.313 142 1HG PRO 21 1HG PRO 21 17.782 15.811 4.038 143 2HG PRO 21 2HG PRO 21 19.055 15.557 5.216 144 1HD PRO 21 1HD PRO 21 16.496 14.263 5.149 145 2HD PRO 21 2HD PRO 21 17.722 14.097 6.390 146 H ARG 22 H ARG 22 15.937 19.553 6.013 147 HA ARG 22 HA ARG 22 14.369 20.683 5.049 148 1HB ARG 22 1HB ARG 22 13.393 18.217 3.553 149 2HB ARG 22 2HB ARG 22 13.369 19.883 3.012 150 1HG ARG 22 1HG ARG 22 15.928 18.295 3.522 151 2HG ARG 22 2HG ARG 22 15.187 18.474 1.944 152 1HD ARG 22 1HD ARG 22 16.515 20.329 1.751 153 2HD ARG 22 2HD ARG 22 15.308 21.113 2.751 154 HE ARG 22 HE ARG 22 17.082 19.799 4.523 155 1HH1 ARG 22 1HH1 ARG 22 19.410 22.372 4.899 156 2HH1 ARG 22 2HH1 ARG 22 18.790 20.900 5.569 157 1HH2 ARG 22 1HH2 ARG 22 18.507 23.226 2.939 158 2HH2 ARG 22 2HH2 ARG 22 17.213 22.391 2.146 159 H ARG 23 H ARG 23 11.775 20.656 4.551 160 HA ARG 23 HA ARG 23 10.642 19.914 7.022 161 1HB ARG 23 1HB ARG 23 9.821 21.424 4.585 162 2HB ARG 23 2HB ARG 23 8.496 20.619 5.403 163 1HG ARG 23 1HG ARG 23 9.040 21.736 7.520 164 2HG ARG 23 2HG ARG 23 10.508 22.410 6.841 165 1HD ARG 23 1HD ARG 23 9.342 24.213 6.106 166 2HD ARG 23 2HD ARG 23 8.371 23.173 5.083 167 HE ARG 23 HE ARG 23 6.619 23.398 6.604 168 1HH1 ARG 23 1HH1 ARG 23 6.558 24.482 9.921 169 2HH1 ARG 23 2HH1 ARG 23 5.601 23.993 8.562 170 1HH2 ARG 23 1HH2 ARG 23 8.872 24.534 9.753 171 2HH2 ARG 23 2HH2 ARG 23 9.643 24.083 8.269 172 H TYR 24 H TYR 24 11.650 17.806 4.959 173 HA TYR 24 HA TYR 24 9.242 16.443 4.175 174 1HB TYR 24 1HB TYR 24 12.058 16.551 3.574 175 2HB TYR 24 2HB TYR 24 11.788 14.937 4.202 176 HD1 TYR 24 HD1 TYR 24 9.281 16.873 2.262 177 HD2 TYR 24 HD2 TYR 24 12.173 13.721 2.181 178 HE1 TYR 24 HE1 TYR 24 8.418 16.130 -0.011 179 HE2 TYR 24 HE2 TYR 24 11.300 12.989 -0.092 180 HH TYR 24 HH TYR 24 10.127 14.019 -1.984 181 H LYS 25 H LYS 25 8.921 14.085 4.756 182 HA LYS 25 HA LYS 25 10.084 13.183 7.201 183 1HB LYS 25 1HB LYS 25 8.251 14.927 7.819 184 2HB LYS 25 2HB LYS 25 7.116 13.678 7.351 185 1HG LYS 25 1HG LYS 25 7.665 12.301 9.136 186 2HG LYS 25 2HG LYS 25 9.345 12.799 9.150 187 1HD LYS 25 1HD LYS 25 8.867 14.152 10.905 188 2HD LYS 25 2HD LYS 25 7.916 15.146 9.820 189 1HE LYS 25 1HE LYS 25 6.499 14.489 11.697 190 2HE LYS 25 2HE LYS 25 5.918 13.674 10.258 191 1HZ LYS 25 1HZ LYS 25 6.162 11.826 11.409 192 2HZ LYS 25 2HZ LYS 25 7.782 11.997 11.298 193 3HZ LYS 25 3HZ LYS 25 6.991 12.555 12.613 194 H GLN 26 H GLN 26 9.203 10.975 7.782 195 HA GLN 26 HA GLN 26 7.450 9.645 6.142 196 1HB GLN 26 1HB GLN 26 9.318 10.099 4.439 197 2HB GLN 26 2HB GLN 26 10.324 9.005 5.367 198 1HG GLN 26 1HG GLN 26 9.405 7.536 3.793 199 2HG GLN 26 2HG GLN 26 8.291 7.330 5.130 200 1HE2 GLN 26 1HE2 GLN 26 8.140 7.196 2.091 201 2HE2 GLN 26 2HE2 GLN 26 6.732 8.111 1.667 202 H ILE 27 H ILE 27 9.845 7.384 6.198 203 HA ILE 27 HA ILE 27 10.616 6.810 8.684 204 HB ILE 27 HB ILE 27 8.636 5.168 9.317 205 1HG1 ILE 27 1HG1 ILE 27 6.769 7.293 8.650 206 2HG1 ILE 27 2HG1 ILE 27 7.467 6.595 7.202 207 1HG2 ILE 27 1HG2 ILE 27 9.512 7.789 10.142 208 2HG2 ILE 27 2HG2 ILE 27 7.759 7.612 10.396 209 3HG2 ILE 27 3HG2 ILE 27 8.886 6.439 11.118 210 1HD1 ILE 27 1HD1 ILE 27 5.637 5.174 7.608 211 2HD1 ILE 27 2HD1 ILE 27 6.975 4.280 8.367 212 3HD1 ILE 27 3HD1 ILE 27 5.857 5.232 9.373 213 H GLY 28 H GLY 28 11.674 6.307 6.292 214 1HA GLY 28 1HA GLY 28 11.289 3.395 5.931 215 2HA GLY 28 2HA GLY 28 11.557 4.499 4.597 216 H THR 29 H THR 29 13.432 2.912 4.248 217 HA THR 29 HA THR 29 15.767 3.946 5.700 218 HB THR 29 HB THR 29 15.401 1.018 4.918 219 HG1 THR 29 HG1 THR 29 13.817 1.352 6.500 220 1HG2 THR 29 1HG2 THR 29 17.511 0.863 5.779 221 2HG2 THR 29 2HG2 THR 29 17.512 2.603 6.154 222 3HG2 THR 29 3HG2 THR 29 16.872 1.438 7.338 223 H CYS 30 H CYS 30 17.695 2.432 4.290 224 HA CYS 30 HA CYS 30 17.170 3.074 1.507 225 1HB CYS 30 1HB CYS 30 18.246 5.062 2.691 226 2HB CYS 30 2HB CYS 30 19.680 4.067 2.854 227 H GLY 31 H GLY 31 19.947 2.196 3.704 228 1HA GLY 31 1HA GLY 31 20.342 -0.226 2.049 229 2HA GLY 31 2HA GLY 31 21.631 0.692 2.802 230 H LEU 32 H LEU 32 22.433 -1.026 4.089 231 HA LEU 32 HA LEU 32 20.567 -2.317 5.896 232 1HB LEU 32 1HB LEU 32 22.026 -4.005 5.989 233 2HB LEU 32 2HB LEU 32 22.603 -3.307 4.489 234 HG LEU 32 HG LEU 32 24.325 -2.041 5.843 235 1HD1 LEU 32 1HD1 LEU 32 24.047 -1.973 8.048 236 2HD1 LEU 32 2HD1 LEU 32 22.860 -3.299 8.017 237 3HD1 LEU 32 3HD1 LEU 32 24.601 -3.664 8.084 238 1HD2 LEU 32 1HD2 LEU 32 24.590 -5.038 6.116 239 2HD2 LEU 32 2HD2 LEU 32 24.695 -4.195 4.552 240 3HD2 LEU 32 3HD2 LEU 32 25.867 -3.829 5.841 241 HA PRO 33 HA PRO 33 23.346 0.508 8.519 242 1HB PRO 33 1HB PRO 33 23.827 2.972 7.438 243 2HB PRO 33 2HB PRO 33 24.989 1.661 7.390 244 1HG PRO 33 1HG PRO 33 23.286 2.709 5.213 245 2HG PRO 33 2HG PRO 33 24.725 1.716 5.099 246 1HD PRO 33 1HD PRO 33 22.010 0.844 4.788 247 2HD PRO 33 2HD PRO 33 23.442 -0.166 4.790 248 H GLY 34 H GLY 34 20.757 -0.014 8.660 249 1HA GLY 34 1HA GLY 34 18.686 0.897 9.063 250 2HA GLY 34 2HA GLY 34 19.621 1.621 10.357 251 H THR 35 H THR 35 19.778 2.305 6.805 252 HA THR 35 HA THR 35 19.954 5.050 7.098 253 HB THR 35 HB THR 35 18.661 4.379 4.611 254 HG1 THR 35 HG1 THR 35 20.844 2.596 5.314 255 1HG2 THR 35 1HG2 THR 35 21.390 5.108 5.598 256 2HG2 THR 35 2HG2 THR 35 21.360 4.172 4.084 257 3HG2 THR 35 3HG2 THR 35 20.497 5.726 4.187 258 H LYS 36 H LYS 36 18.290 6.648 6.101 259 HA LYS 36 HA LYS 36 15.649 5.955 7.181 260 1HB LYS 36 1HB LYS 36 16.631 7.398 8.796 261 2HB LYS 36 2HB LYS 36 17.267 8.478 7.572 262 1HG LYS 36 1HG LYS 36 14.276 7.983 7.869 263 2HG LYS 36 2HG LYS 36 15.102 9.213 8.804 264 1HD LYS 36 1HD LYS 36 15.207 9.064 5.756 265 2HD LYS 36 2HD LYS 36 14.049 10.042 6.635 266 1HE LYS 36 1HE LYS 36 15.893 11.318 7.704 267 2HE LYS 36 2HE LYS 36 17.082 10.300 6.915 268 1HZ LYS 36 1HZ LYS 36 15.313 12.279 5.720 269 2HZ LYS 36 2HZ LYS 36 16.921 12.079 5.518 270 3HZ LYS 36 3HZ LYS 36 15.874 11.052 4.799 271 H CYS 37 H CYS 37 13.948 6.296 5.817 272 HA CYS 37 HA CYS 37 14.627 7.620 3.296 273 1HB CYS 37 1HB CYS 37 13.739 5.085 3.619 274 2HB CYS 37 2HB CYS 37 12.206 5.920 3.460 275 H CYS 38 H CYS 38 13.710 9.627 3.043 276 HA CYS 38 HA CYS 38 11.388 10.221 4.719 277 1HB CYS 38 1HB CYS 38 13.677 11.556 4.727 278 2HB CYS 38 2HB CYS 38 12.962 12.354 3.340 279 H LYS 39 H LYS 39 9.777 11.792 3.618 280 HA LYS 39 HA LYS 39 9.786 11.835 0.763 281 1HB LYS 39 1HB LYS 39 8.991 9.469 1.483 282 2HB LYS 39 2HB LYS 39 7.518 10.272 1.988 283 1HG LYS 39 1HG LYS 39 7.650 9.346 -0.455 284 2HG LYS 39 2HG LYS 39 6.958 10.937 -0.208 285 1HD LYS 39 1HD LYS 39 8.922 12.052 -0.982 286 2HD LYS 39 2HD LYS 39 9.929 10.636 -0.757 287 1HE LYS 39 1HE LYS 39 9.526 10.869 -3.140 288 2HE LYS 39 2HE LYS 39 8.624 9.470 -2.591 289 1HZ LYS 39 1HZ LYS 39 7.024 11.725 -2.300 290 2HZ LYS 39 2HZ LYS 39 7.639 11.741 -3.813 291 3HZ LYS 39 3HZ LYS 39 6.797 10.444 -3.288 292 H LYS 40 H LYS 40 7.465 12.755 0.050 293 HA LYS 40 HA LYS 40 7.224 15.195 1.432 294 1HB LYS 40 1HB LYS 40 6.735 15.424 -0.792 295 2HB LYS 40 2HB LYS 40 5.928 13.873 -0.905 296 1HG LYS 40 1HG LYS 40 4.607 15.865 0.891 297 2HG LYS 40 2HG LYS 40 4.616 16.287 -0.810 298 1HD LYS 40 1HD LYS 40 3.734 13.897 -1.266 299 2HD LYS 40 2HD LYS 40 3.476 13.762 0.462 300 1HE LYS 40 1HE LYS 40 1.635 15.126 0.420 301 2HE LYS 40 2HE LYS 40 2.392 16.278 -0.662 302 1HZ LYS 40 1HZ LYS 40 0.457 14.878 -1.502 303 2HZ LYS 40 2HZ LYS 40 1.743 15.078 -2.489 304 3HZ LYS 40 3HZ LYS 40 1.548 13.676 -1.675 305 HA PRO 41 HA PRO 41 4.412 13.961 4.490 306 1HB PRO 41 1HB PRO 41 3.809 16.420 5.518 307 2HB PRO 41 2HB PRO 41 5.242 15.518 5.970 308 1HG PRO 41 1HG PRO 41 5.017 17.876 4.201 309 2HG PRO 41 2HG PRO 41 6.440 17.231 4.995 310 1HD PRO 41 1HD PRO 41 5.742 16.949 2.227 311 2HD PRO 41 2HD PRO 41 7.103 16.207 3.046 Start of MODEL 12 1 H GLY 1 H GLY 1 1.884 0.000 0.829 2 1HA GLY 1 1HA GLY 1 1.384 -0.051 -2.088 3 2HA GLY 1 2HA GLY 1 2.626 0.934 -1.342 4 H ILE 2 H ILE 2 3.906 -0.449 -3.022 5 HA ILE 2 HA ILE 2 4.456 -2.926 -3.234 6 HB ILE 2 HB ILE 2 6.241 -0.616 -2.801 7 1HG1 ILE 2 1HG1 ILE 2 5.302 -2.328 -4.957 8 2HG1 ILE 2 2HG1 ILE 2 5.957 -0.703 -5.014 9 1HG2 ILE 2 1HG2 ILE 2 8.287 -1.976 -2.965 10 2HG2 ILE 2 2HG2 ILE 2 7.410 -2.253 -1.441 11 3HG2 ILE 2 3HG2 ILE 2 7.313 -3.451 -2.754 12 1HD1 ILE 2 1HD1 ILE 2 8.262 -1.579 -4.920 13 2HD1 ILE 2 2HD1 ILE 2 7.640 -3.238 -4.752 14 3HD1 ILE 2 3HD1 ILE 2 7.375 -2.337 -6.264 15 H GLY 3 H GLY 3 4.169 -4.657 -1.940 16 1HA GLY 3 1HA GLY 3 5.257 -5.952 -0.208 17 2HA GLY 3 2HA GLY 3 5.320 -4.507 0.781 18 H ASP 4 H ASP 4 2.884 -6.499 -1.046 19 HA ASP 4 HA ASP 4 1.262 -6.436 1.348 20 1HB ASP 4 1HB ASP 4 -0.314 -6.209 -1.150 21 2HB ASP 4 2HB ASP 4 -0.549 -5.404 0.389 22 HD2 ASP 4 HD2 ASP 4 -1.005 -3.913 -1.590 23 HA PRO 5 HA PRO 5 0.051 -10.421 -0.114 24 1HB PRO 5 1HB PRO 5 -2.676 -10.553 -0.234 25 2HB PRO 5 2HB PRO 5 -1.777 -10.653 1.267 26 1HG PRO 5 1HG PRO 5 -3.349 -8.390 0.195 27 2HG PRO 5 2HG PRO 5 -2.810 -8.672 1.839 28 1HD PRO 5 1HD PRO 5 -1.672 -6.837 -0.050 29 2HD PRO 5 2HD PRO 5 -1.064 -7.204 1.552 30 H VAL 6 H VAL 6 -2.275 -8.424 -1.886 31 HA VAL 6 HA VAL 6 -1.968 -10.114 -4.178 32 HB VAL 6 HB VAL 6 -3.616 -7.795 -3.337 33 1HG1 VAL 6 1HG1 VAL 6 -4.443 -7.504 -5.703 34 2HG1 VAL 6 2HG1 VAL 6 -2.810 -6.868 -5.391 35 3HG1 VAL 6 3HG1 VAL 6 -3.014 -8.417 -6.244 36 1HG2 VAL 6 1HG2 VAL 6 -3.985 -10.541 -3.717 37 2HG2 VAL 6 2HG2 VAL 6 -5.247 -9.323 -3.414 38 3HG2 VAL 6 3HG2 VAL 6 -4.834 -9.780 -5.084 39 H THR 7 H THR 7 -1.332 -6.590 -3.520 40 HA THR 7 HA THR 7 -0.038 -5.966 -5.828 41 HB THR 7 HB THR 7 -0.237 -4.977 -3.065 42 HG1 THR 7 HG1 THR 7 -1.164 -3.719 -4.670 43 1HG2 THR 7 1HG2 THR 7 2.289 -4.346 -4.683 44 2HG2 THR 7 2HG2 THR 7 1.738 -3.448 -3.248 45 3HG2 THR 7 3HG2 THR 7 2.256 -5.144 -3.093 46 H CYS 8 H CYS 8 1.049 -8.163 -3.326 47 HA CYS 8 HA CYS 8 3.783 -7.982 -3.759 48 1HB CYS 8 1HB CYS 8 3.705 -9.378 -2.053 49 2HB CYS 8 2HB CYS 8 1.986 -9.628 -2.289 50 H LEU 9 H LEU 9 1.283 -10.238 -5.151 51 HA LEU 9 HA LEU 9 3.120 -11.343 -7.011 52 1HB LEU 9 1HB LEU 9 0.437 -11.763 -7.831 53 2HB LEU 9 2HB LEU 9 1.567 -12.894 -7.115 54 HG LEU 9 HG LEU 9 0.023 -11.018 -5.346 55 1HD1 LEU 9 1HD1 LEU 9 -1.616 -13.057 -5.170 56 2HD1 LEU 9 2HD1 LEU 9 -1.826 -11.831 -6.444 57 3HD1 LEU 9 3HD1 LEU 9 -1.056 -13.390 -6.827 58 1HD2 LEU 9 1HD2 LEU 9 0.397 -13.770 -4.473 59 2HD2 LEU 9 2HD2 LEU 9 1.936 -12.976 -4.883 60 3HD2 LEU 9 3HD2 LEU 9 0.849 -12.241 -3.681 61 H LYS 10 H LYS 10 1.544 -8.329 -6.798 62 HA LYS 10 HA LYS 10 0.578 -7.654 -9.171 63 1HB LYS 10 1HB LYS 10 1.104 -6.202 -7.124 64 2HB LYS 10 2HB LYS 10 2.683 -5.943 -7.837 65 1HG LYS 10 1HG LYS 10 1.238 -4.120 -8.545 66 2HG LYS 10 2HG LYS 10 1.562 -5.122 -9.945 67 1HD LYS 10 1HD LYS 10 -0.616 -6.203 -9.781 68 2HD LYS 10 2HD LYS 10 -0.922 -5.483 -8.212 69 1HE LYS 10 1HE LYS 10 -1.946 -3.764 -9.284 70 2HE LYS 10 2HE LYS 10 -0.372 -3.270 -9.877 71 1HZ LYS 10 1HZ LYS 10 -2.182 -3.779 -11.550 72 2HZ LYS 10 2HZ LYS 10 -0.700 -4.400 -11.843 73 3HZ LYS 10 3HZ LYS 10 -1.885 -5.357 -11.253 74 H SER 11 H SER 11 4.031 -8.333 -8.464 75 HA SER 11 HA SER 11 4.884 -9.478 -10.539 76 1HB SER 11 1HB SER 11 3.904 -8.227 -12.274 77 2HB SER 11 2HB SER 11 4.199 -6.693 -11.480 78 HG SER 11 HG SER 11 6.216 -8.406 -12.665 79 H GLY 12 H GLY 12 6.295 -9.650 -8.584 80 1HA GLY 12 1HA GLY 12 8.810 -8.648 -8.891 81 2HA GLY 12 2HA GLY 12 8.008 -7.444 -7.902 82 H ALA 13 H ALA 13 6.142 -9.623 -6.765 83 HA ALA 13 HA ALA 13 8.123 -10.749 -4.907 84 1HB ALA 13 1HB ALA 13 6.458 -8.978 -4.084 85 2HB ALA 13 2HB ALA 13 5.192 -10.204 -4.335 86 3HB ALA 13 3HB ALA 13 6.507 -10.507 -3.174 87 H ILE 14 H ILE 14 8.378 -12.919 -5.025 88 HA ILE 14 HA ILE 14 6.549 -14.434 -6.636 89 HB ILE 14 HB ILE 14 8.137 -16.308 -5.953 90 1HG1 ILE 14 1HG1 ILE 14 10.369 -14.667 -5.326 91 2HG1 ILE 14 2HG1 ILE 14 9.092 -14.228 -4.209 92 1HG2 ILE 14 1HG2 ILE 14 9.832 -14.310 -7.281 93 2HG2 ILE 14 2HG2 ILE 14 9.241 -15.889 -7.853 94 3HG2 ILE 14 3HG2 ILE 14 8.196 -14.453 -7.969 95 1HD1 ILE 14 1HD1 ILE 14 10.496 -16.123 -3.366 96 2HD1 ILE 14 2HD1 ILE 14 8.786 -16.581 -3.553 97 3HD1 ILE 14 3HD1 ILE 14 9.982 -17.096 -4.766 98 H CYS 15 H CYS 15 5.653 -16.566 -5.800 99 HA CYS 15 HA CYS 15 4.610 -16.079 -3.110 100 1HB CYS 15 1HB CYS 15 3.450 -17.467 -5.517 101 2HB CYS 15 2HB CYS 15 2.840 -17.782 -3.905 102 H HIS 16 H HIS 16 5.643 -17.313 -1.579 103 HA HIS 16 HA HIS 16 6.074 -20.106 -2.181 104 1HB HIS 16 1HB HIS 16 8.269 -18.119 -1.787 105 2HB HIS 16 2HB HIS 16 8.451 -19.688 -1.029 106 HD1 HIS 16 HD1 HIS 16 8.844 -21.743 -2.568 107 HD2 HIS 16 HD2 HIS 16 8.321 -18.132 -4.638 108 HE1 HIS 16 HE1 HIS 16 9.535 -22.196 -4.982 109 HE2 HIS 16 HE2 HIS 16 9.140 -19.957 -6.216 110 HA PRO 17 HA PRO 17 4.824 -20.295 1.960 111 1HB PRO 17 1HB PRO 17 5.410 -22.902 2.531 112 2HB PRO 17 2HB PRO 17 3.963 -22.411 1.672 113 1HG PRO 17 1HG PRO 17 6.414 -23.673 0.604 114 2HG PRO 17 2HG PRO 17 4.826 -23.565 -0.129 115 1HD PRO 17 1HD PRO 17 7.133 -21.997 -0.795 116 2HD PRO 17 2HD PRO 17 5.516 -21.811 -1.445 117 H VAL 18 H VAL 18 5.464 -20.116 4.117 118 HA VAL 18 HA VAL 18 7.004 -19.337 5.546 119 HB VAL 18 HB VAL 18 8.400 -21.064 6.398 120 1HG1 VAL 18 1HG1 VAL 18 6.832 -22.937 6.583 121 2HG1 VAL 18 2HG1 VAL 18 5.976 -21.380 6.688 122 3HG1 VAL 18 3HG1 VAL 18 5.919 -22.326 5.182 123 1HG2 VAL 18 1HG2 VAL 18 7.973 -22.724 3.906 124 2HG2 VAL 18 2HG2 VAL 18 9.370 -21.637 4.098 125 3HG2 VAL 18 3HG2 VAL 18 9.128 -22.985 5.235 126 H PHE 19 H PHE 19 9.881 -19.999 5.640 127 HA PHE 19 HA PHE 19 11.030 -17.870 4.597 128 1HB PHE 19 1HB PHE 19 12.139 -20.727 4.329 129 2HB PHE 19 2HB PHE 19 13.102 -19.275 4.514 130 HD1 PHE 19 HD1 PHE 19 11.957 -22.043 6.202 131 HD2 PHE 19 HD2 PHE 19 12.331 -17.847 6.710 132 HE1 PHE 19 HE1 PHE 19 11.929 -22.342 8.693 133 HE2 PHE 19 HE2 PHE 19 12.304 -18.146 9.202 134 HZ PHE 19 HZ PHE 19 12.103 -20.390 10.164 135 H CYS 20 H CYS 20 12.289 -17.329 2.663 136 HA CYS 20 HA CYS 20 11.181 -18.664 0.303 137 1HB CYS 20 1HB CYS 20 11.120 -16.669 -0.836 138 2HB CYS 20 2HB CYS 20 10.640 -16.195 0.782 139 HA PRO 21 HA PRO 21 15.332 -19.765 -0.493 140 1HB PRO 21 1HB PRO 21 15.086 -20.645 -3.068 141 2HB PRO 21 2HB PRO 21 14.683 -21.630 -1.676 142 1HG PRO 21 1HG PRO 21 12.868 -20.265 -3.568 143 2HG PRO 21 2HG PRO 21 12.513 -21.571 -2.455 144 1HD PRO 21 1HD PRO 21 11.835 -18.804 -2.125 145 2HD PRO 21 2HD PRO 21 11.584 -20.090 -0.962 146 H ARG 22 H ARG 22 17.150 -19.503 -2.218 147 HA ARG 22 HA ARG 22 18.372 -18.166 -3.406 148 1HB ARG 22 1HB ARG 22 15.668 -17.245 -4.128 149 2HB ARG 22 2HB ARG 22 16.828 -15.934 -4.210 150 1HG ARG 22 1HG ARG 22 17.197 -16.787 -6.319 151 2HG ARG 22 2HG ARG 22 18.300 -17.840 -5.456 152 1HD ARG 22 1HD ARG 22 15.400 -18.499 -6.164 153 2HD ARG 22 2HD ARG 22 16.819 -19.151 -6.960 154 HE ARG 22 HE ARG 22 16.659 -19.578 -4.032 155 1HH1 ARG 22 1HH1 ARG 22 16.443 -23.033 -4.467 156 2HH1 ARG 22 2HH1 ARG 22 16.650 -21.750 -3.323 157 1HH2 ARG 22 1HH2 ARG 22 16.175 -22.547 -6.721 158 2HH2 ARG 22 2HH2 ARG 22 16.181 -20.900 -7.258 159 H ARG 23 H ARG 23 19.309 -15.807 -3.403 160 HA ARG 23 HA ARG 23 19.420 -15.016 -0.695 161 1HB ARG 23 1HB ARG 23 20.824 -14.348 -3.246 162 2HB ARG 23 2HB ARG 23 20.767 -13.035 -2.086 163 1HG ARG 23 1HG ARG 23 21.825 -14.404 -0.364 164 2HG ARG 23 2HG ARG 23 21.676 -15.851 -1.342 165 1HD ARG 23 1HD ARG 23 23.834 -15.365 -1.963 166 2HD ARG 23 2HD ARG 23 23.071 -14.256 -3.084 167 HE ARG 23 HE ARG 23 24.034 -12.519 -1.873 168 1HH1 ARG 23 1HH1 ARG 23 25.036 -12.269 1.460 169 2HH1 ARG 23 2HH1 ARG 23 24.951 -11.459 -0.068 170 1HH2 ARG 23 1HH2 ARG 23 24.219 -14.431 1.676 171 2HH2 ARG 23 2HH2 ARG 23 23.524 -15.234 0.308 172 H TYR 24 H TYR 24 16.834 -14.698 -2.356 173 HA TYR 24 HA TYR 24 16.456 -11.926 -2.781 174 1HB TYR 24 1HB TYR 24 15.185 -14.441 -3.212 175 2HB TYR 24 2HB TYR 24 14.110 -13.634 -2.089 176 HD1 TYR 24 HD1 TYR 24 16.120 -11.853 -4.647 177 HD2 TYR 24 HD2 TYR 24 12.259 -13.361 -3.588 178 HE1 TYR 24 HE1 TYR 24 15.078 -10.556 -6.570 179 HE2 TYR 24 HE2 TYR 24 11.230 -12.060 -5.514 180 HH TYR 24 HH TYR 24 12.562 -11.126 -7.970 181 H LYS 25 H LYS 25 13.933 -11.452 -1.554 182 HA LYS 25 HA LYS 25 14.326 -11.776 1.287 183 1HB LYS 25 1HB LYS 25 15.657 -9.706 0.425 184 2HB LYS 25 2HB LYS 25 14.084 -8.952 0.270 185 1HG LYS 25 1HG LYS 25 13.680 -8.972 2.577 186 2HG LYS 25 2HG LYS 25 14.687 -10.379 2.854 187 1HD LYS 25 1HD LYS 25 16.733 -9.030 2.473 188 2HD LYS 25 2HD LYS 25 15.761 -7.623 2.090 189 1HE LYS 25 1HE LYS 25 15.480 -9.055 4.762 190 2HE LYS 25 2HE LYS 25 16.705 -7.827 4.514 191 1HZ LYS 25 1HZ LYS 25 15.025 -6.259 3.997 192 2HZ LYS 25 2HZ LYS 25 13.846 -7.389 4.001 193 3HZ LYS 25 3HZ LYS 25 14.594 -6.984 5.395 194 H GLN 26 H GLN 26 12.377 -12.377 2.049 195 HA GLN 26 HA GLN 26 10.072 -11.466 0.524 196 1HB GLN 26 1HB GLN 26 9.203 -13.544 0.782 197 2HB GLN 26 2HB GLN 26 10.803 -14.028 1.308 198 1HG GLN 26 1HG GLN 26 8.637 -12.966 3.183 199 2HG GLN 26 2HG GLN 26 8.955 -14.669 2.917 200 1HE2 GLN 26 1HE2 GLN 26 9.289 -14.619 5.248 201 2HE2 GLN 26 2HE2 GLN 26 10.853 -14.235 5.886 202 H ILE 27 H ILE 27 8.130 -10.755 1.705 203 HA ILE 27 HA ILE 27 8.142 -10.415 4.488 204 HB ILE 27 HB ILE 27 8.194 -7.786 4.192 205 1HG1 ILE 27 1HG1 ILE 27 10.172 -7.209 2.710 206 2HG1 ILE 27 2HG1 ILE 27 10.002 -8.795 1.983 207 1HG2 ILE 27 1HG2 ILE 27 9.975 -7.900 5.547 208 2HG2 ILE 27 2HG2 ILE 27 9.749 -9.662 5.429 209 3HG2 ILE 27 3HG2 ILE 27 10.933 -8.844 4.381 210 1HD1 ILE 27 1HD1 ILE 27 7.597 -6.958 2.192 211 2HD1 ILE 27 2HD1 ILE 27 8.773 -6.768 0.869 212 3HD1 ILE 27 3HD1 ILE 27 7.882 -8.298 1.056 213 H GLY 28 H GLY 28 6.572 -11.265 2.034 214 1HA GLY 28 1HA GLY 28 4.164 -9.674 2.653 215 2HA GLY 28 2HA GLY 28 4.625 -9.998 0.993 216 H THR 29 H THR 29 2.364 -11.027 1.050 217 HA THR 29 HA THR 29 2.680 -13.850 1.809 218 HB THR 29 HB THR 29 0.883 -13.706 3.219 219 HG1 THR 29 HG1 THR 29 -1.067 -12.529 2.251 220 1HG2 THR 29 1HG2 THR 29 0.875 -10.727 2.499 221 2HG2 THR 29 2HG2 THR 29 0.067 -11.462 3.905 222 3HG2 THR 29 3HG2 THR 29 1.844 -11.453 3.804 223 H CYS 30 H CYS 30 0.273 -14.805 0.794 224 HA CYS 30 HA CYS 30 0.277 -13.904 -1.975 225 1HB CYS 30 1HB CYS 30 1.863 -15.900 -1.560 226 2HB CYS 30 2HB CYS 30 0.402 -16.844 -1.343 227 H GLY 31 H GLY 31 -1.102 -16.979 -0.834 228 1HA GLY 31 1HA GLY 31 -3.745 -15.705 -0.527 229 2HA GLY 31 2HA GLY 31 -3.524 -17.055 -1.621 230 H LEU 32 H LEU 32 -1.918 -18.852 -0.359 231 HA LEU 32 HA LEU 32 -3.555 -20.182 1.347 232 1HB LEU 32 1HB LEU 32 -1.823 -21.650 1.675 233 2HB LEU 32 2HB LEU 32 -1.418 -20.904 0.142 234 HG LEU 32 HG LEU 32 -0.027 -19.274 1.775 235 1HD1 LEU 32 1HD1 LEU 32 -0.235 -21.907 3.247 236 2HD1 LEU 32 2HD1 LEU 32 1.102 -20.756 3.484 237 3HD1 LEU 32 3HD1 LEU 32 -0.569 -20.268 3.856 238 1HD2 LEU 32 1HD2 LEU 32 1.950 -20.790 1.320 239 2HD2 LEU 32 2HD2 LEU 32 0.794 -21.933 0.595 240 3HD2 LEU 32 3HD2 LEU 32 0.988 -20.304 -0.097 241 HA PRO 33 HA PRO 33 -3.197 -18.406 5.268 242 1HB PRO 33 1HB PRO 33 -2.973 -20.505 7.003 243 2HB PRO 33 2HB PRO 33 -4.492 -20.021 6.275 244 1HG PRO 33 1HG PRO 33 -2.780 -22.340 5.621 245 2HG PRO 33 2HG PRO 33 -4.465 -22.072 5.222 246 1HD PRO 33 1HD PRO 33 -2.221 -21.808 3.455 247 2HD PRO 33 2HD PRO 33 -3.892 -21.429 3.090 248 H GLY 34 H GLY 34 -1.520 -17.027 5.467 249 1HA GLY 34 1HA GLY 34 0.431 -16.364 6.410 250 2HA GLY 34 2HA GLY 34 0.680 -17.980 7.041 251 H THR 35 H THR 35 0.494 -16.362 3.781 252 HA THR 35 HA THR 35 2.434 -18.221 2.729 253 HB THR 35 HB THR 35 1.736 -15.865 1.097 254 HG1 THR 35 HG1 THR 35 -0.232 -15.796 2.201 255 1HG2 THR 35 1HG2 THR 35 0.346 -18.156 0.190 256 2HG2 THR 35 2HG2 THR 35 1.921 -17.582 -0.408 257 3HG2 THR 35 3HG2 THR 35 1.851 -18.798 0.889 258 H LYS 36 H LYS 36 4.299 -17.250 1.364 259 HA LYS 36 HA LYS 36 5.495 -15.020 2.836 260 1HB LYS 36 1HB LYS 36 6.815 -17.686 2.255 261 2HB LYS 36 2HB LYS 36 7.675 -16.255 2.785 262 1HG LYS 36 1HG LYS 36 5.559 -17.830 4.302 263 2HG LYS 36 2HG LYS 36 7.220 -17.528 4.775 264 1HD LYS 36 1HD LYS 36 5.538 -15.092 4.319 265 2HD LYS 36 2HD LYS 36 5.092 -16.074 5.700 266 1HE LYS 36 1HE LYS 36 7.936 -15.897 5.780 267 2HE LYS 36 2HE LYS 36 7.378 -14.284 5.384 268 1HZ LYS 36 1HZ LYS 36 5.750 -14.651 7.271 269 2HZ LYS 36 2HZ LYS 36 6.705 -15.896 7.724 270 3HZ LYS 36 3HZ LYS 36 7.310 -14.380 7.670 271 H CYS 37 H CYS 37 5.355 -13.478 1.252 272 HA CYS 37 HA CYS 37 6.010 -14.261 -1.456 273 1HB CYS 37 1HB CYS 37 4.088 -12.646 -0.578 274 2HB CYS 37 2HB CYS 37 5.359 -11.446 -0.708 275 H CYS 38 H CYS 38 8.070 -13.999 -2.259 276 HA CYS 38 HA CYS 38 9.866 -12.312 -0.683 277 1HB CYS 38 1HB CYS 38 10.213 -14.900 -1.200 278 2HB CYS 38 2HB CYS 38 10.893 -14.269 -2.687 279 H LYS 39 H LYS 39 11.103 -10.696 -1.781 280 HA LYS 39 HA LYS 39 10.634 -10.435 -4.647 281 1HB LYS 39 1HB LYS 39 10.173 -7.981 -4.303 282 2HB LYS 39 2HB LYS 39 8.889 -9.070 -3.817 283 1HG LYS 39 1HG LYS 39 8.924 -7.991 -1.813 284 2HG LYS 39 2HG LYS 39 10.399 -8.879 -1.483 285 1HD LYS 39 1HD LYS 39 11.405 -6.846 -1.287 286 2HD LYS 39 2HD LYS 39 11.337 -6.769 -3.037 287 1HE LYS 39 1HE LYS 39 8.783 -5.984 -1.762 288 2HE LYS 39 2HE LYS 39 10.123 -4.966 -1.272 289 1HZ LYS 39 1HZ LYS 39 9.057 -5.398 -3.945 290 2HZ LYS 39 2HZ LYS 39 9.431 -3.995 -3.198 291 3HZ LYS 39 3HZ LYS 39 10.620 -4.953 -3.778 292 H LYS 40 H LYS 40 12.030 -8.253 -5.291 293 HA LYS 40 HA LYS 40 14.665 -9.040 -4.994 294 1HB LYS 40 1HB LYS 40 15.215 -7.101 -6.214 295 2HB LYS 40 2HB LYS 40 13.634 -7.586 -6.792 296 1HG LYS 40 1HG LYS 40 12.883 -5.929 -4.745 297 2HG LYS 40 2HG LYS 40 14.412 -5.190 -5.173 298 1HD LYS 40 1HD LYS 40 13.690 -4.984 -7.537 299 2HD LYS 40 2HD LYS 40 12.190 -5.814 -7.175 300 1HE LYS 40 1HE LYS 40 12.329 -3.708 -5.276 301 2HE LYS 40 2HE LYS 40 12.881 -2.994 -6.778 302 1HZ LYS 40 1HZ LYS 40 10.284 -3.863 -6.070 303 2HZ LYS 40 2HZ LYS 40 10.749 -2.869 -7.279 304 3HZ LYS 40 3HZ LYS 40 10.750 -4.486 -7.505 305 HA PRO 41 HA PRO 41 15.645 -7.518 -1.062 306 1HB PRO 41 1HB PRO 41 18.359 -7.830 -1.138 307 2HB PRO 41 2HB PRO 41 17.254 -9.139 -0.768 308 1HG PRO 41 1HG PRO 41 18.760 -8.632 -3.261 309 2HG PRO 41 2HG PRO 41 18.004 -10.117 -2.718 310 1HD PRO 41 1HD PRO 41 17.006 -8.314 -4.713 311 2HD PRO 41 2HD PRO 41 16.196 -9.736 -4.086 Start of MODEL 13 1 H GLY 1 H GLY 1 1.884 0.000 0.829 2 1HA GLY 1 1HA GLY 1 3.037 -0.486 -1.095 3 2HA GLY 1 2HA GLY 1 1.537 -0.581 -1.996 4 H ILE 2 H ILE 2 3.078 0.723 -3.522 5 HA ILE 2 HA ILE 2 4.117 3.076 -3.340 6 HB ILE 2 HB ILE 2 2.371 1.841 -5.344 7 1HG1 ILE 2 1HG1 ILE 2 5.127 2.538 -4.961 8 2HG1 ILE 2 2HG1 ILE 2 4.405 1.493 -6.168 9 1HG2 ILE 2 1HG2 ILE 2 1.241 3.960 -5.326 10 2HG2 ILE 2 2HG2 ILE 2 2.788 4.841 -5.351 11 3HG2 ILE 2 3HG2 ILE 2 2.286 3.884 -6.765 12 1HD1 ILE 2 1HD1 ILE 2 5.680 3.467 -7.122 13 2HD1 ILE 2 2HD1 ILE 2 3.988 3.366 -7.664 14 3HD1 ILE 2 3HD1 ILE 2 4.450 4.535 -6.403 15 H GLY 3 H GLY 3 3.719 5.180 -2.751 16 1HA GLY 3 1HA GLY 3 1.799 6.850 -2.774 17 2HA GLY 3 2HA GLY 3 1.013 5.711 -1.699 18 H ASP 4 H ASP 4 4.211 5.258 -0.984 19 HA ASP 4 HA ASP 4 4.330 7.543 0.803 20 1HB ASP 4 1HB ASP 4 4.305 6.277 2.699 21 2HB ASP 4 2HB ASP 4 3.589 5.034 1.693 22 HD2 ASP 4 HD2 ASP 4 5.331 5.066 3.965 23 HA PRO 5 HA PRO 5 8.646 7.241 -0.005 24 1HB PRO 5 1HB PRO 5 9.953 7.418 2.389 25 2HB PRO 5 2HB PRO 5 9.260 8.804 1.570 26 1HG PRO 5 1HG PRO 5 8.254 7.361 3.946 27 2HG PRO 5 2HG PRO 5 7.833 8.964 3.376 28 1HD PRO 5 1HD PRO 5 6.261 6.580 3.108 29 2HD PRO 5 2HD PRO 5 5.896 8.157 2.437 30 H VAL 6 H VAL 6 8.223 5.196 2.851 31 HA VAL 6 HA VAL 6 10.246 3.412 1.882 32 HB VAL 6 HB VAL 6 8.546 3.741 4.286 33 1HG1 VAL 6 1HG1 VAL 6 9.370 1.066 3.213 34 2HG1 VAL 6 2HG1 VAL 6 9.464 1.353 4.967 35 3HG1 VAL 6 3HG1 VAL 6 7.910 1.535 4.118 36 1HG2 VAL 6 1HG2 VAL 6 10.957 2.792 5.115 37 2HG2 VAL 6 2HG2 VAL 6 11.411 3.536 3.562 38 3HG2 VAL 6 3HG2 VAL 6 10.606 4.511 4.815 39 H THR 7 H THR 7 6.779 2.821 2.805 40 HA THR 7 HA THR 7 6.403 0.435 1.637 41 HB THR 7 HB THR 7 4.798 2.719 2.482 42 HG1 THR 7 HG1 THR 7 3.655 0.894 3.252 43 1HG2 THR 7 1HG2 THR 7 2.740 1.984 1.161 44 2HG2 THR 7 2HG2 THR 7 3.932 2.887 0.195 45 3HG2 THR 7 3HG2 THR 7 3.834 1.115 0.059 46 H CYS 8 H CYS 8 6.976 3.483 -0.047 47 HA CYS 8 HA CYS 8 5.903 2.993 -2.483 48 1HB CYS 8 1HB CYS 8 7.739 4.792 -1.397 49 2HB CYS 8 2HB CYS 8 8.600 4.053 -2.732 50 H LEU 9 H LEU 9 8.940 1.708 -1.019 51 HA LEU 9 HA LEU 9 9.781 0.370 -3.366 52 1HB LEU 9 1HB LEU 9 10.628 -0.555 -0.672 53 2HB LEU 9 2HB LEU 9 11.566 -0.324 -2.134 54 HG LEU 9 HG LEU 9 10.451 2.085 -0.737 55 1HD1 LEU 9 1HD1 LEU 9 13.035 0.763 0.119 56 2HD1 LEU 9 2HD1 LEU 9 12.265 2.214 0.805 57 3HD1 LEU 9 3HD1 LEU 9 11.500 0.620 1.009 58 1HD2 LEU 9 1HD2 LEU 9 12.575 1.463 -2.711 59 2HD2 LEU 9 2HD2 LEU 9 11.503 2.877 -2.572 60 3HD2 LEU 9 3HD2 LEU 9 12.939 2.743 -1.529 61 H LYS 10 H LYS 10 7.490 -0.321 -0.772 62 HA LYS 10 HA LYS 10 7.435 -3.070 -0.858 63 1HB LYS 10 1HB LYS 10 6.142 -1.228 0.566 64 2HB LYS 10 2HB LYS 10 4.872 -1.547 -0.599 65 1HG LYS 10 1HG LYS 10 4.474 -3.104 1.164 66 2HG LYS 10 2HG LYS 10 5.220 -4.057 -0.103 67 1HD LYS 10 1HD LYS 10 7.399 -3.960 1.009 68 2HD LYS 10 2HD LYS 10 6.804 -2.807 2.186 69 1HE LYS 10 1HE LYS 10 5.704 -4.420 3.425 70 2HE LYS 10 2HE LYS 10 5.238 -5.345 2.011 71 1HZ LYS 10 1HZ LYS 10 7.986 -5.238 3.041 72 2HZ LYS 10 2HZ LYS 10 6.921 -6.420 3.409 73 3HZ LYS 10 3HZ LYS 10 7.419 -6.221 1.867 74 H SER 11 H SER 11 6.585 -0.741 -3.312 75 HA SER 11 HA SER 11 5.273 -2.887 -4.788 76 1HB SER 11 1HB SER 11 3.649 -1.226 -4.744 77 2HB SER 11 2HB SER 11 4.819 0.076 -4.650 78 HG SER 11 HG SER 11 3.520 -0.495 -6.784 79 H GLY 12 H GLY 12 8.247 -2.070 -4.379 80 1HA GLY 12 1HA GLY 12 10.077 -2.290 -5.694 81 2HA GLY 12 2HA GLY 12 9.047 -2.486 -7.098 82 H ALA 13 H ALA 13 8.090 0.292 -5.337 83 HA ALA 13 HA ALA 13 9.218 1.987 -7.383 84 1HB ALA 13 1HB ALA 13 7.617 3.542 -6.694 85 2HB ALA 13 2HB ALA 13 6.813 1.999 -6.319 86 3HB ALA 13 3HB ALA 13 7.595 2.934 -5.022 87 H ILE 14 H ILE 14 11.061 3.164 -7.180 88 HA ILE 14 HA ILE 14 12.393 3.077 -4.602 89 HB ILE 14 HB ILE 14 14.246 4.151 -6.025 90 1HG1 ILE 14 1HG1 ILE 14 12.914 2.926 -8.395 91 2HG1 ILE 14 2HG1 ILE 14 12.356 4.510 -7.895 92 1HG2 ILE 14 1HG2 ILE 14 14.170 1.807 -5.188 93 2HG2 ILE 14 2HG2 ILE 14 13.368 1.333 -6.705 94 3HG2 ILE 14 3HG2 ILE 14 15.021 1.994 -6.740 95 1HD1 ILE 14 1HD1 ILE 14 15.071 4.883 -7.730 96 2HD1 ILE 14 2HD1 ILE 14 14.975 3.703 -9.059 97 3HD1 ILE 14 3HD1 ILE 14 14.105 5.251 -9.179 98 H CYS 15 H CYS 15 13.515 5.131 -3.838 99 HA CYS 15 HA CYS 15 11.675 7.368 -4.278 100 1HB CYS 15 1HB CYS 15 13.018 6.313 -1.834 101 2HB CYS 15 2HB CYS 15 12.806 8.047 -1.963 102 H HIS 16 H HIS 16 12.606 8.956 -5.519 103 HA HIS 16 HA HIS 16 15.376 9.620 -4.983 104 1HB HIS 16 1HB HIS 16 15.646 9.781 -7.577 105 2HB HIS 16 2HB HIS 16 15.908 8.261 -6.746 106 HD1 HIS 16 HD1 HIS 16 13.653 9.941 -9.211 107 HD2 HIS 16 HD2 HIS 16 13.875 6.285 -7.167 108 HE1 HIS 16 HE1 HIS 16 12.003 8.375 -10.366 109 HE2 HIS 16 HE2 HIS 16 12.223 6.129 -9.100 110 HA PRO 17 HA PRO 17 13.616 13.555 -5.416 111 1HB PRO 17 1HB PRO 17 15.882 15.083 -5.410 112 2HB PRO 17 2HB PRO 17 15.137 14.468 -3.948 113 1HG PRO 17 1HG PRO 17 17.586 13.534 -5.315 114 2HG PRO 17 2HG PRO 17 17.065 13.233 -3.669 115 1HD PRO 17 1HD PRO 17 16.928 11.404 -5.873 116 2HD PRO 17 2HD PRO 17 16.302 11.146 -4.257 117 H VAL 18 H VAL 18 13.399 15.486 -6.783 118 HA VAL 18 HA VAL 18 13.238 16.404 -8.786 119 HB VAL 18 HB VAL 18 15.472 14.969 -10.048 120 1HG1 VAL 18 1HG1 VAL 18 15.611 16.910 -11.142 121 2HG1 VAL 18 2HG1 VAL 18 14.196 17.474 -10.222 122 3HG1 VAL 18 3HG1 VAL 18 15.839 17.809 -9.622 123 1HG2 VAL 18 1HG2 VAL 18 16.574 14.779 -8.036 124 2HG2 VAL 18 2HG2 VAL 18 17.062 16.424 -8.510 125 3HG2 VAL 18 3HG2 VAL 18 15.755 16.191 -7.325 126 H PHE 19 H PHE 19 13.507 15.532 -11.403 127 HA PHE 19 HA PHE 19 11.276 14.079 -11.836 128 1HB PHE 19 1HB PHE 19 12.270 13.739 -14.091 129 2HB PHE 19 2HB PHE 19 12.739 15.322 -13.505 130 HD1 PHE 19 HD1 PHE 19 15.023 15.866 -13.135 131 HD2 PHE 19 HD2 PHE 19 13.924 11.864 -14.023 132 HE1 PHE 19 HE1 PHE 19 17.438 15.282 -13.492 133 HE2 PHE 19 HE2 PHE 19 16.339 11.280 -14.381 134 HZ PHE 19 HZ PHE 19 18.067 12.996 -14.111 135 H CYS 20 H CYS 20 11.296 11.834 -13.125 136 HA CYS 20 HA CYS 20 12.647 9.976 -11.322 137 1HB CYS 20 1HB CYS 20 10.503 9.323 -11.128 138 2HB CYS 20 2HB CYS 20 10.026 10.008 -12.669 139 HA PRO 21 HA PRO 21 15.105 9.205 -14.908 140 1HB PRO 21 1HB PRO 21 17.017 7.682 -13.685 141 2HB PRO 21 2HB PRO 21 17.080 9.432 -13.745 142 1HG PRO 21 1HG PRO 21 16.381 7.681 -11.469 143 2HG PRO 21 2HG PRO 21 16.860 9.367 -11.450 144 1HD PRO 21 1HD PRO 21 14.203 8.333 -11.134 145 2HD PRO 21 2HD PRO 21 14.666 10.020 -11.232 146 H ARG 22 H ARG 22 16.121 7.222 -16.039 147 HA ARG 22 HA ARG 22 15.815 5.273 -16.919 148 1HB ARG 22 1HB ARG 22 14.815 4.782 -14.135 149 2HB ARG 22 2HB ARG 22 14.322 3.598 -15.329 150 1HG ARG 22 1HG ARG 22 16.381 2.739 -14.529 151 2HG ARG 22 2HG ARG 22 16.826 3.513 -16.038 152 1HD ARG 22 1HD ARG 22 16.943 5.085 -13.442 153 2HD ARG 22 2HD ARG 22 18.250 3.996 -13.863 154 HE ARG 22 HE ARG 22 17.641 6.552 -15.133 155 1HH1 ARG 22 1HH1 ARG 22 20.106 6.179 -17.575 156 2HH1 ARG 22 2HH1 ARG 22 19.015 7.283 -16.806 157 1HH2 ARG 22 1HH2 ARG 22 20.171 3.957 -16.905 158 2HH2 ARG 22 2HH2 ARG 22 19.129 3.404 -15.637 159 H ARG 23 H ARG 23 14.093 3.806 -17.944 160 HA ARG 23 HA ARG 23 11.865 5.445 -18.597 161 1HB ARG 23 1HB ARG 23 13.117 2.924 -19.620 162 2HB ARG 23 2HB ARG 23 11.391 3.055 -19.887 163 1HG ARG 23 1HG ARG 23 11.649 5.161 -21.084 164 2HG ARG 23 2HG ARG 23 13.333 5.290 -20.617 165 1HD ARG 23 1HD ARG 23 13.601 4.418 -22.759 166 2HD ARG 23 2HD ARG 23 13.533 2.921 -21.851 167 HE ARG 23 HE ARG 23 11.446 3.987 -23.636 168 1HH1 ARG 23 1HH1 ARG 23 9.438 1.169 -23.190 169 2HH1 ARG 23 2HH1 ARG 23 9.687 2.610 -24.117 170 1HH2 ARG 23 1HH2 ARG 23 10.890 0.636 -21.460 171 2HH2 ARG 23 2HH2 ARG 23 12.223 1.679 -21.096 172 H TYR 24 H TYR 24 12.105 4.323 -15.805 173 HA TYR 24 HA TYR 24 10.430 2.143 -15.416 174 1HB TYR 24 1HB TYR 24 11.903 4.141 -13.980 175 2HB TYR 24 2HB TYR 24 10.256 4.328 -13.412 176 HD1 TYR 24 HD1 TYR 24 10.661 3.590 -11.160 177 HD2 TYR 24 HD2 TYR 24 11.677 1.073 -14.467 178 HE1 TYR 24 HE1 TYR 24 10.990 1.629 -9.575 179 HE2 TYR 24 HE2 TYR 24 12.003 -0.879 -12.871 180 HH TYR 24 HH TYR 24 12.648 -1.007 -10.294 181 H LYS 25 H LYS 25 8.624 3.495 -13.404 182 HA LYS 25 HA LYS 25 6.860 5.077 -15.043 183 1HB LYS 25 1HB LYS 25 6.528 2.373 -15.256 184 2HB LYS 25 2HB LYS 25 5.465 2.728 -13.908 185 1HG LYS 25 1HG LYS 25 4.035 3.081 -15.735 186 2HG LYS 25 2HG LYS 25 4.595 4.710 -15.414 187 1HD LYS 25 1HD LYS 25 6.532 3.529 -17.159 188 2HD LYS 25 2HD LYS 25 4.962 3.096 -17.807 189 1HE LYS 25 1HE LYS 25 4.909 5.172 -18.737 190 2HE LYS 25 2HE LYS 25 4.614 5.786 -17.123 191 1HZ LYS 25 1HZ LYS 25 6.528 6.828 -17.356 192 2HZ LYS 25 2HZ LYS 25 7.295 5.393 -17.226 193 3HZ LYS 25 3HZ LYS 25 6.942 6.000 -18.701 194 H GLN 26 H GLN 26 4.730 5.471 -13.606 195 HA GLN 26 HA GLN 26 3.834 5.872 -11.601 196 1HB GLN 26 1HB GLN 26 5.351 4.187 -10.511 197 2HB GLN 26 2HB GLN 26 6.582 5.424 -10.353 198 1HG GLN 26 1HG GLN 26 5.423 5.350 -8.241 199 2HG GLN 26 2HG GLN 26 4.902 6.823 -9.036 200 1HE2 GLN 26 1HE2 GLN 26 3.061 6.767 -7.679 201 2HE2 GLN 26 2HE2 GLN 26 1.692 5.770 -8.043 202 H ILE 27 H ILE 27 6.757 7.141 -10.177 203 HA ILE 27 HA ILE 27 7.730 9.161 -10.245 204 HB ILE 27 HB ILE 27 5.654 10.164 -12.177 205 1HG1 ILE 27 1HG1 ILE 27 8.134 9.315 -13.430 206 2HG1 ILE 27 2HG1 ILE 27 7.331 7.964 -12.654 207 1HG2 ILE 27 1HG2 ILE 27 7.804 11.470 -12.892 208 2HG2 ILE 27 2HG2 ILE 27 6.869 11.988 -11.469 209 3HG2 ILE 27 3HG2 ILE 27 8.367 11.050 -11.257 210 1HD1 ILE 27 1HD1 ILE 27 5.447 9.721 -14.100 211 2HD1 ILE 27 2HD1 ILE 27 6.688 9.002 -15.154 212 3HD1 ILE 27 3HD1 ILE 27 5.635 7.953 -14.174 213 H GLY 28 H GLY 28 5.976 8.232 -8.287 214 1HA GLY 28 1HA GLY 28 4.292 10.575 -7.666 215 2HA GLY 28 2HA GLY 28 4.085 8.955 -7.031 216 H THR 29 H THR 29 4.620 11.746 -5.772 217 HA THR 29 HA THR 29 7.075 12.059 -4.706 218 HB THR 29 HB THR 29 4.600 12.240 -2.953 219 HG1 THR 29 HG1 THR 29 5.388 13.981 -5.173 220 1HG2 THR 29 1HG2 THR 29 6.423 13.375 -1.929 221 2HG2 THR 29 2HG2 THR 29 7.102 13.882 -3.494 222 3HG2 THR 29 3HG2 THR 29 5.639 14.673 -2.860 223 H CYS 30 H CYS 30 7.519 11.687 -2.160 224 HA CYS 30 HA CYS 30 7.325 8.780 -1.846 225 1HB CYS 30 1HB CYS 30 9.552 10.703 -1.226 226 2HB CYS 30 2HB CYS 30 9.425 9.176 -0.376 227 H GLY 31 H GLY 31 7.799 11.897 -0.014 228 1HA GLY 31 1HA GLY 31 5.849 10.912 1.971 229 2HA GLY 31 2HA GLY 31 7.396 11.566 2.471 230 H LEU 32 H LEU 32 6.996 13.554 3.367 231 HA LEU 32 HA LEU 32 4.882 15.197 2.383 232 1HB LEU 32 1HB LEU 32 5.146 16.357 4.279 233 2HB LEU 32 2HB LEU 32 5.986 14.902 4.778 234 HG LEU 32 HG LEU 32 8.112 16.164 3.851 235 1HD1 LEU 32 1HD1 LEU 32 6.525 18.572 4.714 236 2HD1 LEU 32 2HD1 LEU 32 8.074 18.490 3.839 237 3HD1 LEU 32 3HD1 LEU 32 6.560 18.050 3.013 238 1HD2 LEU 32 1HD2 LEU 32 6.967 17.122 6.473 239 2HD2 LEU 32 2HD2 LEU 32 7.503 15.443 6.230 240 3HD2 LEU 32 3HD2 LEU 32 8.661 16.782 6.045 241 HA PRO 33 HA PRO 33 8.722 17.290 0.526 242 1HB PRO 33 1HB PRO 33 10.764 15.641 -0.234 243 2HB PRO 33 2HB PRO 33 10.774 16.551 1.264 244 1HG PRO 33 1HG PRO 33 10.303 13.661 0.854 245 2HG PRO 33 2HG PRO 33 10.735 14.505 2.328 246 1HD PRO 33 1HD PRO 33 8.140 13.510 1.617 247 2HD PRO 33 2HD PRO 33 8.548 14.454 3.036 248 H GLY 34 H GLY 34 9.435 17.625 -1.733 249 1HA GLY 34 1HA GLY 34 7.417 16.520 -3.445 250 2HA GLY 34 2HA GLY 34 8.692 17.643 -3.874 251 H THR 35 H THR 35 9.196 14.476 -2.244 252 HA THR 35 HA THR 35 11.268 13.684 -3.878 253 HB THR 35 HB THR 35 9.883 11.365 -2.929 254 HG1 THR 35 HG1 THR 35 9.687 12.535 -0.646 255 1HG2 THR 35 1HG2 THR 35 11.742 12.961 -1.148 256 2HG2 THR 35 2HG2 THR 35 11.676 11.201 -1.407 257 3HG2 THR 35 3HG2 THR 35 12.394 12.257 -2.647 258 H LYS 36 H LYS 36 11.188 11.519 -5.210 259 HA LYS 36 HA LYS 36 8.827 11.520 -6.920 260 1HB LYS 36 1HB LYS 36 11.651 12.093 -7.825 261 2HB LYS 36 2HB LYS 36 10.455 11.418 -8.914 262 1HG LYS 36 1HG LYS 36 10.379 14.100 -7.482 263 2HG LYS 36 2HG LYS 36 10.327 13.797 -9.207 264 1HD LYS 36 1HD LYS 36 8.141 12.727 -7.388 265 2HD LYS 36 2HD LYS 36 8.092 14.384 -7.955 266 1HE LYS 36 1HE LYS 36 8.688 12.740 -10.236 267 2HE LYS 36 2HE LYS 36 7.368 11.967 -9.382 268 1HZ LYS 36 1HZ LYS 36 7.136 14.814 -9.647 269 2HZ LYS 36 2HZ LYS 36 7.059 13.988 -11.053 270 3HZ LYS 36 3HZ LYS 36 6.006 13.653 -9.850 271 H CYS 37 H CYS 37 8.158 9.499 -6.236 272 HA CYS 37 HA CYS 37 10.139 7.393 -6.142 273 1HB CYS 37 1HB CYS 37 8.454 7.645 -4.342 274 2HB CYS 37 2HB CYS 37 7.183 7.313 -5.502 275 H CYS 38 H CYS 38 10.409 5.919 -7.807 276 HA CYS 38 HA CYS 38 8.332 5.923 -9.875 277 1HB CYS 38 1HB CYS 38 10.750 6.999 -10.287 278 2HB CYS 38 2HB CYS 38 11.148 5.327 -10.633 279 H LYS 39 H LYS 39 7.672 3.855 -10.558 280 HA LYS 39 HA LYS 39 9.090 1.616 -9.286 281 1HB LYS 39 1HB LYS 39 7.020 0.518 -8.908 282 2HB LYS 39 2HB LYS 39 6.845 2.151 -8.297 283 1HG LYS 39 1HG LYS 39 4.969 2.288 -9.576 284 2HG LYS 39 2HG LYS 39 6.041 2.427 -10.955 285 1HD LYS 39 1HD LYS 39 4.828 0.589 -11.663 286 2HD LYS 39 2HD LYS 39 6.065 -0.261 -10.758 287 1HE LYS 39 1HE LYS 39 4.636 -0.688 -8.929 288 2HE LYS 39 2HE LYS 39 3.590 0.671 -9.290 289 1HZ LYS 39 1HZ LYS 39 3.337 -0.832 -11.478 290 2HZ LYS 39 2HZ LYS 39 3.522 -1.984 -10.335 291 3HZ LYS 39 3HZ LYS 39 2.320 -0.887 -10.201 292 H LYS 40 H LYS 40 8.469 -0.542 -10.527 293 HA LYS 40 HA LYS 40 9.497 -0.218 -13.127 294 1HB LYS 40 1HB LYS 40 9.323 -2.602 -13.281 295 2HB LYS 40 2HB LYS 40 9.862 -2.194 -11.665 296 1HG LYS 40 1HG LYS 40 6.968 -2.226 -11.669 297 2HG LYS 40 2HG LYS 40 7.531 -3.699 -12.435 298 1HD LYS 40 1HD LYS 40 8.804 -2.779 -9.841 299 2HD LYS 40 2HD LYS 40 7.259 -3.604 -9.802 300 1HE LYS 40 1HE LYS 40 8.413 -5.561 -9.877 301 2HE LYS 40 2HE LYS 40 8.789 -5.188 -11.548 302 1HZ LYS 40 1HZ LYS 40 10.736 -3.984 -10.749 303 2HZ LYS 40 2HZ LYS 40 10.400 -4.424 -9.212 304 3HZ LYS 40 3HZ LYS 40 10.780 -5.560 -10.322 305 HA PRO 41 HA PRO 41 5.828 0.503 -15.298 306 1HB PRO 41 1HB PRO 41 6.693 0.022 -17.845 307 2HB PRO 41 2HB PRO 41 6.970 1.537 -17.009 308 1HG PRO 41 1HG PRO 41 8.879 -0.652 -17.563 309 2HG PRO 41 2HG PRO 41 9.213 1.012 -17.124 310 1HD PRO 41 1HD PRO 41 9.379 -1.282 -15.410 311 2HD PRO 41 2HD PRO 41 9.600 0.393 -14.944 Start of MODEL 14 1 H GLY 1 H GLY 1 1.884 0.000 0.829 2 1HA GLY 1 1HA GLY 1 3.142 0.018 -1.032 3 2HA GLY 1 2HA GLY 1 1.873 -0.920 -1.794 4 H ILE 2 H ILE 2 2.794 0.470 -3.690 5 HA ILE 2 HA ILE 2 2.759 2.992 -4.185 6 HB ILE 2 HB ILE 2 1.616 0.715 -5.685 7 1HG1 ILE 2 1HG1 ILE 2 3.974 2.437 -5.704 8 2HG1 ILE 2 2HG1 ILE 2 3.764 0.804 -6.306 9 1HG2 ILE 2 1HG2 ILE 2 1.173 3.576 -6.580 10 2HG2 ILE 2 2HG2 ILE 2 0.907 2.118 -7.566 11 3HG2 ILE 2 3HG2 ILE 2 -0.086 2.406 -6.117 12 1HD1 ILE 2 1HD1 ILE 2 4.302 2.425 -8.131 13 2HD1 ILE 2 2HD1 ILE 2 2.717 1.652 -8.373 14 3HD1 ILE 2 3HD1 ILE 2 2.810 3.319 -7.754 15 H GLY 3 H GLY 3 1.586 4.816 -3.866 16 1HA GLY 3 1HA GLY 3 -0.928 5.449 -4.227 17 2HA GLY 3 2HA GLY 3 -1.113 4.486 -2.775 18 H ASP 4 H ASP 4 0.816 7.241 -4.133 19 HA ASP 4 HA ASP 4 0.579 8.467 -1.510 20 1HB ASP 4 1HB ASP 4 3.061 9.171 -2.946 21 2HB ASP 4 2HB ASP 4 2.834 8.761 -1.257 22 HD2 ASP 4 HD2 ASP 4 5.008 6.769 -1.863 23 HA PRO 5 HA PRO 5 0.033 12.152 -3.872 24 1HB PRO 5 1HB PRO 5 1.802 14.043 -2.996 25 2HB PRO 5 2HB PRO 5 0.346 13.613 -2.120 26 1HG PRO 5 1HG PRO 5 3.150 12.891 -1.523 27 2HG PRO 5 2HG PRO 5 1.754 12.843 -0.464 28 1HD PRO 5 1HD PRO 5 3.015 10.607 -1.743 29 2HD PRO 5 2HD PRO 5 1.552 10.575 -0.779 30 H VAL 6 H VAL 6 3.065 10.700 -4.147 31 HA VAL 6 HA VAL 6 3.526 12.215 -6.621 32 HB VAL 6 HB VAL 6 5.276 11.121 -4.498 33 1HG1 VAL 6 1HG1 VAL 6 5.890 10.837 -7.435 34 2HG1 VAL 6 2HG1 VAL 6 7.193 11.115 -6.255 35 3HG1 VAL 6 3HG1 VAL 6 6.151 9.679 -6.109 36 1HG2 VAL 6 1HG2 VAL 6 4.798 13.608 -5.857 37 2HG2 VAL 6 2HG2 VAL 6 5.793 13.288 -4.417 38 3HG2 VAL 6 3HG2 VAL 6 6.510 13.159 -6.041 39 H THR 7 H THR 7 4.189 8.921 -5.220 40 HA THR 7 HA THR 7 4.434 7.581 -7.598 41 HB THR 7 HB THR 7 3.994 7.007 -4.755 42 HG1 THR 7 HG1 THR 7 5.733 5.757 -5.389 43 1HG2 THR 7 1HG2 THR 7 2.822 5.095 -6.842 44 2HG2 THR 7 2HG2 THR 7 3.228 4.632 -5.172 45 3HG2 THR 7 3HG2 THR 7 1.945 5.827 -5.477 46 H CYS 8 H CYS 8 1.473 8.731 -5.996 47 HA CYS 8 HA CYS 8 -0.381 7.176 -7.248 48 1HB CYS 8 1HB CYS 8 -1.208 8.575 -5.609 49 2HB CYS 8 2HB CYS 8 -0.386 9.991 -6.236 50 H LEU 9 H LEU 9 1.489 10.007 -8.435 51 HA LEU 9 HA LEU 9 0.036 10.231 -10.865 52 1HB LEU 9 1HB LEU 9 2.813 11.251 -10.644 53 2HB LEU 9 2HB LEU 9 1.380 12.004 -11.314 54 HG LEU 9 HG LEU 9 1.620 11.592 -8.342 55 1HD1 LEU 9 1HD1 LEU 9 3.708 12.699 -9.176 56 2HD1 LEU 9 2HD1 LEU 9 2.690 14.022 -9.795 57 3HD1 LEU 9 3HD1 LEU 9 2.740 13.681 -8.049 58 1HD2 LEU 9 1HD2 LEU 9 0.155 13.609 -10.066 59 2HD2 LEU 9 2HD2 LEU 9 -0.556 12.246 -9.169 60 3HD2 LEU 9 3HD2 LEU 9 0.182 13.604 -8.286 61 H LYS 10 H LYS 10 2.944 8.467 -9.748 62 HA LYS 10 HA LYS 10 3.933 7.747 -12.235 63 1HB LYS 10 1HB LYS 10 4.778 7.432 -9.717 64 2HB LYS 10 2HB LYS 10 4.116 5.828 -9.954 65 1HG LYS 10 1HG LYS 10 6.398 5.680 -10.667 66 2HG LYS 10 2HG LYS 10 5.455 5.711 -12.144 67 1HD LYS 10 1HD LYS 10 5.895 8.132 -12.418 68 2HD LYS 10 2HD LYS 10 6.744 8.179 -10.886 69 1HE LYS 10 1HE LYS 10 8.586 7.896 -12.251 70 2HE LYS 10 2HE LYS 10 8.179 6.203 -12.056 71 1HZ LYS 10 1HZ LYS 10 8.475 6.916 -14.371 72 2HZ LYS 10 2HZ LYS 10 7.010 6.248 -14.098 73 3HZ LYS 10 3HZ LYS 10 7.153 7.868 -14.247 74 H SER 11 H SER 11 1.153 6.571 -10.367 75 HA SER 11 HA SER 11 0.877 4.300 -12.099 76 1HB SER 11 1HB SER 11 -0.985 5.332 -9.914 77 2HB SER 11 2HB SER 11 -1.090 3.767 -10.695 78 HG SER 11 HG SER 11 0.005 3.652 -8.629 79 H GLY 12 H GLY 12 0.109 7.624 -12.156 80 1HA GLY 12 1HA GLY 12 -1.065 8.845 -13.647 81 2HA GLY 12 2HA GLY 12 -1.449 7.378 -14.525 82 H ALA 13 H ALA 13 -2.157 7.816 -11.041 83 HA ALA 13 HA ALA 13 -5.004 7.670 -11.727 84 1HB ALA 13 1HB ALA 13 -5.047 7.043 -9.170 85 2HB ALA 13 2HB ALA 13 -4.519 5.837 -10.367 86 3HB ALA 13 3HB ALA 13 -3.312 6.732 -9.414 87 H ILE 14 H ILE 14 -6.483 9.169 -10.846 88 HA ILE 14 HA ILE 14 -5.308 11.708 -10.231 89 HB ILE 14 HB ILE 14 -7.836 12.264 -9.988 90 1HG1 ILE 14 1HG1 ILE 14 -8.312 9.908 -11.745 91 2HG1 ILE 14 2HG1 ILE 14 -8.185 9.591 -10.026 92 1HG2 ILE 14 1HG2 ILE 14 -6.767 11.404 -12.687 93 2HG2 ILE 14 2HG2 ILE 14 -7.981 12.659 -12.344 94 3HG2 ILE 14 3HG2 ILE 14 -6.289 12.899 -11.846 95 1HD1 ILE 14 1HD1 ILE 14 -9.806 11.799 -9.972 96 2HD1 ILE 14 2HD1 ILE 14 -10.282 11.084 -11.531 97 3HD1 ILE 14 3HD1 ILE 14 -10.417 10.128 -10.035 98 H CYS 15 H CYS 15 -6.178 13.012 -8.308 99 HA CYS 15 HA CYS 15 -6.096 11.238 -5.985 100 1HB CYS 15 1HB CYS 15 -5.202 14.081 -6.409 101 2HB CYS 15 2HB CYS 15 -5.500 13.452 -4.801 102 H HIS 16 H HIS 16 -8.067 10.934 -5.009 103 HA HIS 16 HA HIS 16 -9.784 13.199 -4.634 104 1HB HIS 16 1HB HIS 16 -11.766 11.871 -5.596 105 2HB HIS 16 2HB HIS 16 -10.710 12.726 -6.704 106 HD1 HIS 16 HD1 HIS 16 -11.785 9.278 -5.692 107 HD2 HIS 16 HD2 HIS 16 -9.084 11.067 -8.356 108 HE1 HIS 16 HE1 HIS 16 -11.028 7.436 -7.287 109 HE2 HIS 16 HE2 HIS 16 -9.412 8.607 -8.934 110 HA PRO 17 HA PRO 17 -10.351 10.811 -1.053 111 1HB PRO 17 1HB PRO 17 -12.167 12.400 0.231 112 2HB PRO 17 2HB PRO 17 -10.440 12.695 0.267 113 1HG PRO 17 1HG PRO 17 -12.533 14.124 -1.255 114 2HG PRO 17 2HG PRO 17 -10.906 14.647 -0.870 115 1HD PRO 17 1HD PRO 17 -11.838 13.659 -3.396 116 2HD PRO 17 2HD PRO 17 -10.188 14.073 -2.977 117 H VAL 18 H VAL 18 -11.818 9.431 0.115 118 HA VAL 18 HA VAL 18 -13.610 8.133 0.264 119 HB VAL 18 HB VAL 18 -15.653 8.961 -0.195 120 1HG1 VAL 18 1HG1 VAL 18 -13.923 10.886 0.519 121 2HG1 VAL 18 2HG1 VAL 18 -14.490 11.578 -1.020 122 3HG1 VAL 18 3HG1 VAL 18 -15.658 11.193 0.267 123 1HG2 VAL 18 1HG2 VAL 18 -14.561 9.298 -2.907 124 2HG2 VAL 18 2HG2 VAL 18 -16.183 8.795 -2.375 125 3HG2 VAL 18 3HG2 VAL 18 -15.769 10.524 -2.454 126 H PHE 19 H PHE 19 -15.333 7.006 -1.617 127 HA PHE 19 HA PHE 19 -13.776 5.144 -2.834 128 1HB PHE 19 1HB PHE 19 -16.470 6.389 -3.649 129 2HB PHE 19 2HB PHE 19 -15.890 4.868 -4.299 130 HD1 PHE 19 HD1 PHE 19 -15.071 3.193 -2.292 131 HD2 PHE 19 HD2 PHE 19 -18.042 6.208 -1.986 132 HE1 PHE 19 HE1 PHE 19 -16.113 1.971 -0.363 133 HE2 PHE 19 HE2 PHE 19 -19.084 4.985 -0.057 134 HZ PHE 19 HZ PHE 19 -18.107 2.881 0.731 135 H CYS 20 H CYS 20 -14.106 4.776 -5.454 136 HA CYS 20 HA CYS 20 -12.826 7.139 -6.611 137 1HB CYS 20 1HB CYS 20 -11.240 5.549 -6.899 138 2HB CYS 20 2HB CYS 20 -12.388 4.225 -6.905 139 HA PRO 21 HA PRO 21 -16.578 7.302 -8.910 140 1HB PRO 21 1HB PRO 21 -16.099 9.662 -10.202 141 2HB PRO 21 2HB PRO 21 -16.789 9.573 -8.593 142 1HG PRO 21 1HG PRO 21 -14.043 10.322 -9.393 143 2HG PRO 21 2HG PRO 21 -14.867 10.628 -7.877 144 1HD PRO 21 1HD PRO 21 -12.869 8.631 -8.371 145 2HD PRO 21 2HD PRO 21 -13.776 8.862 -6.889 146 H ARG 22 H ARG 22 -17.333 7.561 -11.238 147 HA ARG 22 HA ARG 22 -17.207 6.882 -13.284 148 1HB ARG 22 1HB ARG 22 -14.389 7.831 -12.832 149 2HB ARG 22 2HB ARG 22 -14.655 6.851 -14.260 150 1HG ARG 22 1HG ARG 22 -15.051 9.045 -15.047 151 2HG ARG 22 2HG ARG 22 -16.669 8.440 -14.752 152 1HD ARG 22 1HD ARG 22 -15.222 9.873 -12.512 153 2HD ARG 22 2HD ARG 22 -15.917 10.823 -13.810 154 HE ARG 22 HE ARG 22 -17.376 9.462 -11.712 155 1HH1 ARG 22 1HH1 ARG 22 -20.507 9.936 -13.179 156 2HH1 ARG 22 2HH1 ARG 22 -19.661 9.515 -11.728 157 1HH2 ARG 22 1HH2 ARG 22 -19.320 10.446 -15.108 158 2HH2 ARG 22 2HH2 ARG 22 -17.588 10.405 -15.095 159 H ARG 23 H ARG 23 -16.252 5.067 -14.794 160 HA ARG 23 HA ARG 23 -16.088 2.744 -13.191 161 1HB ARG 23 1HB ARG 23 -16.388 3.407 -16.086 162 2HB ARG 23 2HB ARG 23 -15.559 1.894 -15.778 163 1HG ARG 23 1HG ARG 23 -17.430 1.061 -14.435 164 2HG ARG 23 2HG ARG 23 -18.227 2.622 -14.486 165 1HD ARG 23 1HD ARG 23 -19.355 1.369 -16.161 166 2HD ARG 23 2HD ARG 23 -18.230 2.353 -17.077 167 HE ARG 23 HE ARG 23 -16.990 -0.153 -16.352 168 1HH1 ARG 23 1HH1 ARG 23 -17.588 -1.699 -19.422 169 2HH1 ARG 23 2HH1 ARG 23 -16.682 -1.760 -17.947 170 1HH2 ARG 23 1HH2 ARG 23 -19.114 0.013 -19.778 171 2HH2 ARG 23 2HH2 ARG 23 -19.347 1.230 -18.568 172 H TYR 24 H TYR 24 -13.827 4.836 -13.194 173 HA TYR 24 HA TYR 24 -11.608 3.833 -14.553 174 1HB TYR 24 1HB TYR 24 -12.383 5.913 -12.762 175 2HB TYR 24 2HB TYR 24 -11.168 5.031 -11.859 176 HD1 TYR 24 HD1 TYR 24 -9.445 6.674 -11.841 177 HD2 TYR 24 HD2 TYR 24 -11.185 5.453 -15.554 178 HE1 TYR 24 HE1 TYR 24 -7.616 7.902 -13.110 179 HE2 TYR 24 HE2 TYR 24 -9.350 6.685 -16.810 180 HH TYR 24 HH TYR 24 -7.747 8.914 -15.925 181 H LYS 25 H LYS 25 -9.716 3.724 -12.277 182 HA LYS 25 HA LYS 25 -10.516 1.413 -10.759 183 1HB LYS 25 1HB LYS 25 -9.743 0.585 -13.063 184 2HB LYS 25 2HB LYS 25 -8.136 1.105 -12.596 185 1HG LYS 25 1HG LYS 25 -9.124 -0.342 -10.358 186 2HG LYS 25 2HG LYS 25 -9.620 -1.273 -11.757 187 1HD LYS 25 1HD LYS 25 -7.193 -1.039 -12.612 188 2HD LYS 25 2HD LYS 25 -6.789 -0.404 -11.029 189 1HE LYS 25 1HE LYS 25 -7.232 -2.456 -9.937 190 2HE LYS 25 2HE LYS 25 -8.296 -3.023 -11.208 191 1HZ LYS 25 1HZ LYS 25 -6.515 -3.531 -12.549 192 2HZ LYS 25 2HZ LYS 25 -5.467 -2.558 -11.761 193 3HZ LYS 25 3HZ LYS 25 -5.957 -3.957 -11.075 194 H GLN 26 H GLN 26 -9.967 2.104 -8.762 195 HA GLN 26 HA GLN 26 -7.508 3.644 -8.560 196 1HB GLN 26 1HB GLN 26 -8.595 4.935 -7.055 197 2HB GLN 26 2HB GLN 26 -10.064 4.099 -7.515 198 1HG GLN 26 1HG GLN 26 -8.160 3.205 -5.298 199 2HG GLN 26 2HG GLN 26 -9.675 4.048 -5.042 200 1HE2 GLN 26 1HE2 GLN 26 -8.955 1.505 -4.018 201 2HE2 GLN 26 2HE2 GLN 26 -10.051 0.317 -4.640 202 H ILE 27 H ILE 27 -6.141 3.235 -6.551 203 HA ILE 27 HA ILE 27 -6.413 0.956 -5.009 204 HB ILE 27 HB ILE 27 -4.342 -0.192 -6.281 205 1HG1 ILE 27 1HG1 ILE 27 -6.062 0.434 -8.642 206 2HG1 ILE 27 2HG1 ILE 27 -4.890 1.639 -8.148 207 1HG2 ILE 27 1HG2 ILE 27 -7.141 -0.699 -5.893 208 2HG2 ILE 27 2HG2 ILE 27 -6.637 -1.316 -7.485 209 3HG2 ILE 27 3HG2 ILE 27 -5.789 -1.850 -6.014 210 1HD1 ILE 27 1HD1 ILE 27 -3.069 0.299 -8.668 211 2HD1 ILE 27 2HD1 ILE 27 -3.935 -1.208 -8.287 212 3HD1 ILE 27 3HD1 ILE 27 -4.247 -0.366 -9.824 213 H GLY 28 H GLY 28 -5.502 3.884 -5.328 214 1HA GLY 28 1HA GLY 28 -3.082 3.562 -3.695 215 2HA GLY 28 2HA GLY 28 -3.012 4.582 -5.119 216 H THR 29 H THR 29 -2.470 6.255 -3.381 217 HA THR 29 HA THR 29 -4.958 7.579 -2.617 218 HB THR 29 HB THR 29 -4.614 7.286 -0.373 219 HG1 THR 29 HG1 THR 29 -2.518 7.967 0.447 220 1HG2 THR 29 1HG2 THR 29 -2.882 5.597 0.354 221 2HG2 THR 29 2HG2 THR 29 -3.921 4.979 -0.952 222 3HG2 THR 29 3HG2 THR 29 -2.274 5.547 -1.318 223 H CYS 30 H CYS 30 -3.725 9.694 -1.176 224 HA CYS 30 HA CYS 30 -2.001 10.815 -3.262 225 1HB CYS 30 1HB CYS 30 -4.514 11.603 -3.087 226 2HB CYS 30 2HB CYS 30 -3.903 12.567 -1.757 227 H GLY 31 H GLY 31 -3.181 10.885 0.160 228 1HA GLY 31 1HA GLY 31 -0.990 10.666 1.582 229 2HA GLY 31 2HA GLY 31 -0.760 12.302 0.998 230 H LEU 32 H LEU 32 -3.724 12.867 0.896 231 HA LEU 32 HA LEU 32 -4.014 14.062 3.347 232 1HB LEU 32 1HB LEU 32 -6.483 13.188 1.974 233 2HB LEU 32 2HB LEU 32 -6.020 14.764 2.584 234 HG LEU 32 HG LEU 32 -5.058 13.492 0.007 235 1HD1 LEU 32 1HD1 LEU 32 -6.403 16.006 -0.325 236 2HD1 LEU 32 2HD1 LEU 32 -6.815 14.406 -0.988 237 3HD1 LEU 32 3HD1 LEU 32 -7.438 14.896 0.606 238 1HD2 LEU 32 1HD2 LEU 32 -3.679 15.329 1.550 239 2HD2 LEU 32 2HD2 LEU 32 -3.455 15.027 -0.190 240 3HD2 LEU 32 3HD2 LEU 32 -4.526 16.341 0.355 241 HA PRO 33 HA PRO 33 -5.857 11.117 5.981 242 1HB PRO 33 1HB PRO 33 -8.449 11.779 6.539 243 2HB PRO 33 2HB PRO 33 -7.076 12.587 7.267 244 1HG PRO 33 1HG PRO 33 -8.876 13.554 5.131 245 2HG PRO 33 2HG PRO 33 -7.792 14.476 6.154 246 1HD PRO 33 1HD PRO 33 -7.364 13.751 3.412 247 2HD PRO 33 2HD PRO 33 -6.232 14.572 4.468 248 H GLY 34 H GLY 34 -5.483 9.549 4.186 249 1HA GLY 34 1HA GLY 34 -6.208 7.576 3.345 250 2HA GLY 34 2HA GLY 34 -7.778 7.840 4.077 251 H THR 35 H THR 35 -5.698 9.206 1.423 252 HA THR 35 HA THR 35 -8.024 10.074 -0.031 253 HB THR 35 HB THR 35 -5.572 10.083 -1.573 254 HG1 THR 35 HG1 THR 35 -5.462 11.144 1.156 255 1HG2 THR 35 1HG2 THR 35 -5.809 12.463 -1.472 256 2HG2 THR 35 2HG2 THR 35 -7.485 11.871 -1.360 257 3HG2 THR 35 3HG2 THR 35 -6.626 12.395 0.108 258 H LYS 36 H LYS 36 -8.132 9.483 -2.469 259 HA LYS 36 HA LYS 36 -7.611 6.618 -2.771 260 1HB LYS 36 1HB LYS 36 -10.255 8.037 -3.150 261 2HB LYS 36 2HB LYS 36 -9.899 6.497 -3.905 262 1HG LYS 36 1HG LYS 36 -10.006 7.126 -0.927 263 2HG LYS 36 2HG LYS 36 -11.012 6.003 -1.820 264 1HD LYS 36 1HD LYS 36 -7.995 5.636 -1.661 265 2HD LYS 36 2HD LYS 36 -9.052 5.025 -0.404 266 1HE LYS 36 1HE LYS 36 -10.159 4.255 -2.966 267 2HE LYS 36 2HE LYS 36 -8.458 3.834 -2.957 268 1HZ LYS 36 1HZ LYS 36 -9.188 3.026 -0.551 269 2HZ LYS 36 2HZ LYS 36 -10.593 2.790 -1.349 270 3HZ LYS 36 3HZ LYS 36 -9.227 2.062 -1.869 271 H CYS 37 H CYS 37 -6.189 6.469 -4.418 272 HA CYS 37 HA CYS 37 -6.353 8.488 -6.507 273 1HB CYS 37 1HB CYS 37 -4.194 7.821 -5.229 274 2HB CYS 37 2HB CYS 37 -4.195 6.408 -6.266 275 H CYS 38 H CYS 38 -7.406 7.968 -8.393 276 HA CYS 38 HA CYS 38 -7.668 5.109 -8.988 277 1HB CYS 38 1HB CYS 38 -9.747 6.617 -8.368 278 2HB CYS 38 2HB CYS 38 -9.614 7.123 -10.041 279 H LYS 39 H LYS 39 -7.079 4.465 -11.095 280 HA LYS 39 HA LYS 39 -6.223 6.634 -12.879 281 1HB LYS 39 1HB LYS 39 -4.462 4.817 -13.600 282 2HB LYS 39 2HB LYS 39 -4.157 5.884 -12.245 283 1HG LYS 39 1HG LYS 39 -3.629 3.756 -11.363 284 2HG LYS 39 2HG LYS 39 -5.256 4.027 -10.771 285 1HD LYS 39 1HD LYS 39 -5.919 2.114 -11.785 286 2HD LYS 39 2HD LYS 39 -5.572 2.840 -13.342 287 1HE LYS 39 1HE LYS 39 -3.053 2.055 -12.186 288 2HE LYS 39 2HE LYS 39 -4.154 0.705 -11.997 289 1HZ LYS 39 1HZ LYS 39 -2.841 1.305 -14.242 290 2HZ LYS 39 2HZ LYS 39 -4.175 0.366 -14.175 291 3HZ LYS 39 3HZ LYS 39 -4.309 1.947 -14.558 292 H LYS 40 H LYS 40 -5.746 5.394 -15.192 293 HA LYS 40 HA LYS 40 -8.325 4.669 -16.053 294 1HB LYS 40 1HB LYS 40 -6.648 5.854 -17.436 295 2HB LYS 40 2HB LYS 40 -5.655 4.411 -17.469 296 1HG LYS 40 1HG LYS 40 -7.606 3.155 -18.498 297 2HG LYS 40 2HG LYS 40 -8.496 4.663 -18.564 298 1HD LYS 40 1HD LYS 40 -6.707 5.660 -19.999 299 2HD LYS 40 2HD LYS 40 -5.809 4.157 -19.928 300 1HE LYS 40 1HE LYS 40 -7.079 3.220 -21.567 301 2HE LYS 40 2HE LYS 40 -8.568 3.638 -20.744 302 1HZ LYS 40 1HZ LYS 40 -8.004 4.709 -22.988 303 2HZ LYS 40 2HZ LYS 40 -8.680 5.630 -21.821 304 3HZ LYS 40 3HZ LYS 40 -7.077 5.729 -22.112 305 HA PRO 41 HA PRO 41 -8.185 0.430 -15.177 306 1HB PRO 41 1HB PRO 41 -10.433 -0.358 -16.515 307 2HB PRO 41 2HB PRO 41 -10.470 0.346 -14.911 308 1HG PRO 41 1HG PRO 41 -11.196 1.584 -17.496 309 2HG PRO 41 2HG PRO 41 -11.617 2.100 -15.875 310 1HD PRO 41 1HD PRO 41 -9.621 3.255 -17.580 311 2HD PRO 41 2HD PRO 41 -9.962 3.695 -15.918 Start of MODEL 15 1 H GLY 1 H GLY 1 1.884 0.000 0.829 2 1HA GLY 1 1HA GLY 1 2.170 1.021 -1.616 3 2HA GLY 1 2HA GLY 1 3.083 -0.371 -1.067 4 H ILE 2 H ILE 2 2.844 -0.429 -3.682 5 HA ILE 2 HA ILE 2 0.690 -1.094 -5.060 6 HB ILE 2 HB ILE 2 3.500 -2.014 -5.100 7 1HG1 ILE 2 1HG1 ILE 2 1.746 -0.215 -6.546 8 2HG1 ILE 2 2HG1 ILE 2 3.496 -0.269 -6.486 9 1HG2 ILE 2 1HG2 ILE 2 3.132 -3.558 -6.961 10 2HG2 ILE 2 2HG2 ILE 2 2.337 -4.131 -5.475 11 3HG2 ILE 2 3HG2 ILE 2 1.371 -3.382 -6.769 12 1HD1 ILE 2 1HD1 ILE 2 1.758 -2.079 -8.227 13 2HD1 ILE 2 2HD1 ILE 2 2.635 -0.638 -8.796 14 3HD1 ILE 2 3HD1 ILE 2 3.538 -2.052 -8.200 15 H GLY 3 H GLY 3 -0.807 -2.742 -5.295 16 1HA GLY 3 1HA GLY 3 -1.562 -4.936 -4.995 17 2HA GLY 3 2HA GLY 3 -0.443 -5.156 -3.664 18 H ASP 4 H ASP 4 -3.083 -2.793 -4.522 19 HA ASP 4 HA ASP 4 -4.345 -3.503 -2.021 20 1HB ASP 4 1HB ASP 4 -4.163 -1.438 -1.058 21 2HB ASP 4 2HB ASP 4 -2.800 -1.237 -2.141 22 HD2 ASP 4 HD2 ASP 4 -3.980 0.869 -1.277 23 HA PRO 5 HA PRO 5 -7.977 -2.604 -4.340 24 1HB PRO 5 1HB PRO 5 -9.606 -1.066 -2.775 25 2HB PRO 5 2HB PRO 5 -9.416 -2.794 -2.553 26 1HG PRO 5 1HG PRO 5 -8.303 -0.586 -0.935 27 2HG PRO 5 2HG PRO 5 -8.487 -2.275 -0.508 28 1HD PRO 5 1HD PRO 5 -6.059 -0.953 -1.273 29 2HD PRO 5 2HD PRO 5 -6.266 -2.665 -0.958 30 H VAL 6 H VAL 6 -7.162 0.487 -2.829 31 HA VAL 6 HA VAL 6 -8.140 1.889 -5.127 32 HB VAL 6 HB VAL 6 -7.041 2.514 -2.449 33 1HG1 VAL 6 1HG1 VAL 6 -5.520 3.932 -3.472 34 2HG1 VAL 6 2HG1 VAL 6 -6.592 4.262 -4.855 35 3HG1 VAL 6 3HG1 VAL 6 -6.929 5.002 -3.271 36 1HG2 VAL 6 1HG2 VAL 6 -9.082 3.400 -2.126 37 2HG2 VAL 6 2HG2 VAL 6 -9.049 4.280 -3.673 38 3HG2 VAL 6 3HG2 VAL 6 -9.527 2.565 -3.635 39 H THR 7 H THR 7 -4.880 1.983 -3.524 40 HA THR 7 HA THR 7 -3.444 3.054 -5.527 41 HB THR 7 HB THR 7 -2.994 1.410 -3.162 42 HG1 THR 7 HG1 THR 7 -1.435 3.210 -4.881 43 1HG2 THR 7 1HG2 THR 7 -0.680 0.650 -3.859 44 2HG2 THR 7 2HG2 THR 7 -1.976 -0.275 -4.655 45 3HG2 THR 7 3HG2 THR 7 -1.115 1.002 -5.548 46 H CYS 8 H CYS 8 -4.951 -0.130 -5.543 47 HA CYS 8 HA CYS 8 -3.508 -1.554 -7.270 48 1HB CYS 8 1HB CYS 8 -6.094 -1.643 -6.325 49 2HB CYS 8 2HB CYS 8 -6.333 -1.496 -8.055 50 H LEU 9 H LEU 9 -5.245 1.481 -7.876 51 HA LEU 9 HA LEU 9 -5.023 1.241 -10.735 52 1HB LEU 9 1HB LEU 9 -5.630 3.868 -9.578 53 2HB LEU 9 2HB LEU 9 -6.453 2.957 -10.828 54 HG LEU 9 HG LEU 9 -6.884 1.617 -8.336 55 1HD1 LEU 9 1HD1 LEU 9 -6.289 4.015 -7.523 56 2HD1 LEU 9 2HD1 LEU 9 -7.901 4.438 -8.149 57 3HD1 LEU 9 3HD1 LEU 9 -7.735 3.201 -6.880 58 1HD2 LEU 9 1HD2 LEU 9 -9.072 3.206 -9.544 59 2HD2 LEU 9 2HD2 LEU 9 -8.259 2.044 -10.619 60 3HD2 LEU 9 3HD2 LEU 9 -9.001 1.483 -9.101 61 H LYS 10 H LYS 10 -3.453 3.080 -8.051 62 HA LYS 10 HA LYS 10 -1.852 4.762 -9.373 63 1HB LYS 10 1HB LYS 10 -2.037 4.091 -6.838 64 2HB LYS 10 2HB LYS 10 -0.654 3.075 -7.193 65 1HG LYS 10 1HG LYS 10 0.315 5.134 -6.508 66 2HG LYS 10 2HG LYS 10 0.431 5.178 -8.256 67 1HD LYS 10 1HD LYS 10 -1.531 6.622 -8.429 68 2HD LYS 10 2HD LYS 10 -1.899 6.420 -6.727 69 1HE LYS 10 1HE LYS 10 0.825 7.498 -7.442 70 2HE LYS 10 2HE LYS 10 -0.548 8.566 -7.650 71 1HZ LYS 10 1HZ LYS 10 -0.379 8.925 -5.495 72 2HZ LYS 10 2HZ LYS 10 -0.935 7.413 -5.225 73 3HZ LYS 10 3HZ LYS 10 0.673 7.698 -5.261 74 H SER 11 H SER 11 -1.702 1.226 -9.434 75 HA SER 11 HA SER 11 -0.566 0.855 -11.728 76 1HB SER 11 1HB SER 11 1.375 2.129 -11.580 77 2HB SER 11 2HB SER 11 1.563 1.851 -9.860 78 HG SER 11 HG SER 11 2.408 0.260 -12.058 79 H GLY 12 H GLY 12 -2.170 -0.523 -9.908 80 1HA GLY 12 1HA GLY 12 -0.509 -2.779 -8.983 81 2HA GLY 12 2HA GLY 12 -2.093 -2.341 -8.373 82 H ALA 13 H ALA 13 -3.289 -1.786 -11.034 83 HA ALA 13 HA ALA 13 -3.017 -3.765 -12.881 84 1HB ALA 13 1HB ALA 13 -3.787 -5.672 -11.981 85 2HB ALA 13 2HB ALA 13 -4.011 -4.846 -10.421 86 3HB ALA 13 3HB ALA 13 -5.336 -4.877 -11.609 87 H ILE 14 H ILE 14 -5.189 -4.063 -14.171 88 HA ILE 14 HA ILE 14 -6.275 -1.423 -14.434 89 HB ILE 14 HB ILE 14 -7.612 -2.669 -16.267 90 1HG1 ILE 14 1HG1 ILE 14 -5.435 -4.684 -16.292 91 2HG1 ILE 14 2HG1 ILE 14 -6.664 -4.913 -15.065 92 1HG2 ILE 14 1HG2 ILE 14 -5.878 -2.277 -17.816 93 2HG2 ILE 14 2HG2 ILE 14 -5.615 -1.114 -16.495 94 3HG2 ILE 14 3HG2 ILE 14 -4.612 -2.580 -16.602 95 1HD1 ILE 14 1HD1 ILE 14 -7.854 -5.931 -16.723 96 2HD1 ILE 14 2HD1 ILE 14 -8.207 -4.278 -17.282 97 3HD1 ILE 14 3HD1 ILE 14 -6.863 -5.195 -18.005 98 H CYS 15 H CYS 15 -8.663 -1.028 -14.536 99 HA CYS 15 HA CYS 15 -9.938 -2.566 -12.401 100 1HB CYS 15 1HB CYS 15 -10.209 0.287 -13.308 101 2HB CYS 15 2HB CYS 15 -11.502 -0.491 -12.417 102 H HIS 16 H HIS 16 -11.436 -4.036 -13.125 103 HA HIS 16 HA HIS 16 -13.129 -3.239 -15.343 104 1HB HIS 16 1HB HIS 16 -12.790 -5.731 -16.150 105 2HB HIS 16 2HB HIS 16 -11.754 -4.431 -16.704 106 HD1 HIS 16 HD1 HIS 16 -11.740 -7.577 -14.690 107 HD2 HIS 16 HD2 HIS 16 -9.108 -4.437 -15.587 108 HE1 HIS 16 HE1 HIS 16 -9.420 -8.363 -13.975 109 HE2 HIS 16 HE2 HIS 16 -7.838 -6.414 -14.602 110 HA PRO 17 HA PRO 17 -15.867 -4.989 -12.426 111 1HB PRO 17 1HB PRO 17 -18.199 -4.256 -13.648 112 2HB PRO 17 2HB PRO 17 -17.307 -3.198 -12.573 113 1HG PRO 17 1HG PRO 17 -17.499 -3.109 -15.521 114 2HG PRO 17 2HG PRO 17 -16.984 -1.851 -14.416 115 1HD PRO 17 1HD PRO 17 -15.296 -3.485 -16.062 116 2HD PRO 17 2HD PRO 17 -14.777 -2.307 -14.873 117 H VAL 18 H VAL 18 -14.720 -7.001 -13.408 118 HA VAL 18 HA VAL 18 -16.577 -8.955 -13.634 119 HB VAL 18 HB VAL 18 -16.168 -9.289 -16.268 120 1HG1 VAL 18 1HG1 VAL 18 -18.386 -9.411 -16.092 121 2HG1 VAL 18 2HG1 VAL 18 -18.332 -8.518 -14.553 122 3HG1 VAL 18 3HG1 VAL 18 -18.478 -7.633 -16.091 123 1HG2 VAL 18 1HG2 VAL 18 -15.839 -7.424 -17.488 124 2HG2 VAL 18 2HG2 VAL 18 -16.883 -6.434 -16.439 125 3HG2 VAL 18 3HG2 VAL 18 -15.192 -6.743 -15.976 126 H PHE 19 H PHE 19 -15.557 -11.010 -14.797 127 HA PHE 19 HA PHE 19 -13.287 -11.683 -13.564 128 1HB PHE 19 1HB PHE 19 -13.046 -13.328 -15.511 129 2HB PHE 19 2HB PHE 19 -14.683 -13.232 -14.894 130 HD1 PHE 19 HD1 PHE 19 -12.489 -11.845 -17.563 131 HD2 PHE 19 HD2 PHE 19 -16.445 -12.784 -16.349 132 HE1 PHE 19 HE1 PHE 19 -13.325 -11.304 -19.867 133 HE2 PHE 19 HE2 PHE 19 -17.281 -12.243 -18.653 134 HZ PHE 19 HZ PHE 19 -15.711 -11.510 -20.384 135 H CYS 20 H CYS 20 -11.031 -12.103 -14.397 136 HA CYS 20 HA CYS 20 -10.067 -9.675 -15.598 137 1HB CYS 20 1HB CYS 20 -8.708 -10.240 -13.852 138 2HB CYS 20 2HB CYS 20 -8.872 -11.965 -14.118 139 HA PRO 21 HA PRO 21 -10.104 -11.761 -19.491 140 1HB PRO 21 1HB PRO 21 -9.601 -9.572 -21.049 141 2HB PRO 21 2HB PRO 21 -11.212 -10.035 -20.539 142 1HG PRO 21 1HG PRO 21 -9.513 -7.833 -19.538 143 2HG PRO 21 2HG PRO 21 -11.242 -8.053 -19.360 144 1HD PRO 21 1HD PRO 21 -9.237 -8.517 -17.361 145 2HD PRO 21 2HD PRO 21 -10.953 -8.846 -17.221 146 H ARG 22 H ARG 22 -8.637 -11.957 -21.478 147 HA ARG 22 HA ARG 22 -6.686 -12.539 -22.202 148 1HB ARG 22 1HB ARG 22 -5.329 -10.444 -20.464 149 2HB ARG 22 2HB ARG 22 -4.897 -10.952 -22.085 150 1HG ARG 22 1HG ARG 22 -7.504 -9.509 -21.416 151 2HG ARG 22 2HG ARG 22 -6.050 -8.681 -21.940 152 1HD ARG 22 1HD ARG 22 -6.882 -8.991 -24.052 153 2HD ARG 22 2HD ARG 22 -6.253 -10.618 -23.893 154 HE ARG 22 HE ARG 22 -8.868 -10.500 -22.704 155 1HH1 ARG 22 1HH1 ARG 22 -10.590 -11.656 -25.510 156 2HH1 ARG 22 2HH1 ARG 22 -10.667 -11.382 -23.802 157 1HH2 ARG 22 1HH2 ARG 22 -8.659 -11.127 -26.684 158 2HH2 ARG 22 2HH2 ARG 22 -7.296 -10.459 -25.852 159 H ARG 23 H ARG 23 -4.274 -13.213 -21.474 160 HA ARG 23 HA ARG 23 -4.674 -14.976 -19.305 161 1HB ARG 23 1HB ARG 23 -2.602 -14.490 -21.397 162 2HB ARG 23 2HB ARG 23 -1.969 -15.139 -19.897 163 1HG ARG 23 1HG ARG 23 -3.498 -17.051 -19.998 164 2HG ARG 23 2HG ARG 23 -4.350 -16.361 -21.365 165 1HD ARG 23 1HD ARG 23 -1.557 -16.460 -22.066 166 2HD ARG 23 2HD ARG 23 -1.974 -18.017 -21.378 167 HE ARG 23 HE ARG 23 -4.038 -17.218 -23.211 168 1HH1 ARG 23 1HH1 ARG 23 -2.787 -18.977 -25.954 169 2HH1 ARG 23 2HH1 ARG 23 -4.168 -18.176 -25.282 170 1HH2 ARG 23 1HH2 ARG 23 -0.805 -19.078 -24.751 171 2HH2 ARG 23 2HH2 ARG 23 -0.707 -18.352 -23.181 172 H TYR 24 H TYR 24 -4.607 -11.927 -18.870 173 HA TYR 24 HA TYR 24 -2.249 -11.165 -17.620 174 1HB TYR 24 1HB TYR 24 -4.928 -10.269 -18.131 175 2HB TYR 24 2HB TYR 24 -4.769 -10.198 -16.387 176 HD1 TYR 24 HD1 TYR 24 -1.939 -9.632 -18.713 177 HD2 TYR 24 HD2 TYR 24 -4.874 -7.807 -16.190 178 HE1 TYR 24 HE1 TYR 24 -0.733 -7.402 -18.910 179 HE2 TYR 24 HE2 TYR 24 -3.657 -5.584 -16.395 180 HH TYR 24 HH TYR 24 -1.041 -5.163 -18.652 181 H LYS 25 H LYS 25 -3.152 -10.261 -15.031 182 HA LYS 25 HA LYS 25 -3.876 -12.633 -13.563 183 1HB LYS 25 1HB LYS 25 -1.232 -12.428 -14.076 184 2HB LYS 25 2HB LYS 25 -1.317 -11.440 -12.631 185 1HG LYS 25 1HG LYS 25 -1.963 -13.219 -11.271 186 2HG LYS 25 2HG LYS 25 -2.804 -14.050 -12.564 187 1HD LYS 25 1HD LYS 25 -0.966 -15.432 -12.502 188 2HD LYS 25 2HD LYS 25 -0.273 -14.209 -13.548 189 1HE LYS 25 1HE LYS 25 1.368 -13.949 -11.998 190 2HE LYS 25 2HE LYS 25 0.175 -13.181 -10.969 191 1HZ LYS 25 1HZ LYS 25 -0.275 -15.206 -9.926 192 2HZ LYS 25 2HZ LYS 25 0.515 -16.091 -11.049 193 3HZ LYS 25 3HZ LYS 25 1.355 -15.141 -10.020 194 H GLN 26 H GLN 26 -5.400 -11.911 -12.186 195 HA GLN 26 HA GLN 26 -5.077 -9.171 -11.247 196 1HB GLN 26 1HB GLN 26 -7.276 -8.859 -11.671 197 2HB GLN 26 2HB GLN 26 -7.261 -10.403 -12.500 198 1HG GLN 26 1HG GLN 26 -7.810 -10.027 -9.517 199 2HG GLN 26 2HG GLN 26 -9.042 -10.272 -10.738 200 1HE2 GLN 26 1HE2 GLN 26 -8.059 -11.832 -8.353 201 2HE2 GLN 26 2HE2 GLN 26 -7.796 -13.446 -8.924 202 H ILE 27 H ILE 27 -5.610 -8.707 -8.972 203 HA ILE 27 HA ILE 27 -6.144 -10.809 -7.166 204 HB ILE 27 HB ILE 27 -3.839 -10.434 -5.986 205 1HG1 ILE 27 1HG1 ILE 27 -2.016 -10.406 -7.787 206 2HG1 ILE 27 2HG1 ILE 27 -3.231 -9.752 -8.867 207 1HG2 ILE 27 1HG2 ILE 27 -3.449 -12.583 -6.492 208 2HG2 ILE 27 2HG2 ILE 27 -5.001 -12.486 -7.357 209 3HG2 ILE 27 3HG2 ILE 27 -3.473 -12.285 -8.247 210 1HD1 ILE 27 1HD1 ILE 27 -1.707 -8.382 -6.824 211 2HD1 ILE 27 2HD1 ILE 27 -2.839 -7.695 -8.013 212 3HD1 ILE 27 3HD1 ILE 27 -3.440 -8.261 -6.436 213 H GLY 28 H GLY 28 -6.774 -7.943 -8.122 214 1HA GLY 28 1HA GLY 28 -7.002 -6.839 -5.420 215 2HA GLY 28 2HA GLY 28 -6.162 -5.881 -6.623 216 H THR 29 H THR 29 -8.087 -4.396 -6.000 217 HA THR 29 HA THR 29 -10.243 -4.931 -7.921 218 HB THR 29 HB THR 29 -10.657 -3.766 -5.124 219 HG1 THR 29 HG1 THR 29 -11.246 -5.969 -4.622 220 1HG2 THR 29 1HG2 THR 29 -12.361 -4.343 -7.474 221 2HG2 THR 29 2HG2 THR 29 -12.925 -5.166 -6.000 222 3HG2 THR 29 3HG2 THR 29 -12.741 -3.396 -6.016 223 H CYS 30 H CYS 30 -11.654 -2.498 -7.316 224 HA CYS 30 HA CYS 30 -9.697 -0.647 -8.452 225 1HB CYS 30 1HB CYS 30 -11.876 -1.358 -9.677 226 2HB CYS 30 2HB CYS 30 -12.677 -0.268 -8.563 227 H GLY 31 H GLY 31 -12.799 -0.462 -6.543 228 1HA GLY 31 1HA GLY 31 -11.400 1.086 -4.481 229 2HA GLY 31 2HA GLY 31 -12.741 1.840 -5.321 230 H LEU 32 H LEU 32 -14.641 1.719 -4.220 231 HA LEU 32 HA LEU 32 -14.957 -0.153 -2.108 232 1HB LEU 32 1HB LEU 32 -16.656 1.150 -1.465 233 2HB LEU 32 2HB LEU 32 -15.895 2.296 -2.550 234 HG LEU 32 HG LEU 32 -17.486 1.522 -4.354 235 1HD1 LEU 32 1HD1 LEU 32 -19.652 0.547 -3.015 236 2HD1 LEU 32 2HD1 LEU 32 -18.490 -0.439 -3.935 237 3HD1 LEU 32 3HD1 LEU 32 -18.316 -0.273 -2.172 238 1HD2 LEU 32 1HD2 LEU 32 -18.017 3.595 -3.483 239 2HD2 LEU 32 2HD2 LEU 32 -19.509 2.672 -3.183 240 3HD2 LEU 32 3HD2 LEU 32 -18.353 2.950 -1.858 241 HA PRO 33 HA PRO 33 -17.662 -2.109 -5.488 242 1HB PRO 33 1HB PRO 33 -16.797 -1.828 -8.065 243 2HB PRO 33 2HB PRO 33 -18.067 -0.842 -7.367 244 1HG PRO 33 1HG PRO 33 -15.260 -0.114 -7.943 245 2HG PRO 33 2HG PRO 33 -16.630 0.940 -7.655 246 1HD PRO 33 1HD PRO 33 -14.526 0.316 -5.808 247 2HD PRO 33 2HD PRO 33 -15.956 1.276 -5.483 248 H GLY 34 H GLY 34 -17.573 -4.256 -6.264 249 1HA GLY 34 1HA GLY 34 -15.123 -5.526 -5.496 250 2HA GLY 34 2HA GLY 34 -16.569 -6.282 -6.135 251 H THR 35 H THR 35 -14.710 -3.596 -7.665 252 HA THR 35 HA THR 35 -14.737 -4.684 -10.197 253 HB THR 35 HB THR 35 -12.368 -3.095 -9.845 254 HG1 THR 35 HG1 THR 35 -14.025 -1.411 -8.667 255 1HG2 THR 35 1HG2 THR 35 -14.166 -2.884 -11.663 256 2HG2 THR 35 2HG2 THR 35 -15.207 -2.120 -10.438 257 3HG2 THR 35 3HG2 THR 35 -13.682 -1.340 -10.921 258 H LYS 36 H LYS 36 -12.552 -5.140 -11.460 259 HA LYS 36 HA LYS 36 -11.163 -7.214 -9.909 260 1HB LYS 36 1HB LYS 36 -12.037 -7.267 -12.812 261 2HB LYS 36 2HB LYS 36 -10.963 -8.444 -12.083 262 1HG LYS 36 1HG LYS 36 -13.874 -7.894 -11.382 263 2HG LYS 36 2HG LYS 36 -13.179 -9.389 -11.977 264 1HD LYS 36 1HD LYS 36 -12.192 -8.229 -9.356 265 2HD LYS 36 2HD LYS 36 -13.708 -9.107 -9.392 266 1HE LYS 36 1HE LYS 36 -12.459 -11.030 -10.542 267 2HE LYS 36 2HE LYS 36 -10.969 -10.162 -10.232 268 1HZ LYS 36 1HZ LYS 36 -11.269 -11.590 -8.443 269 2HZ LYS 36 2HZ LYS 36 -11.714 -10.134 -7.852 270 3HZ LYS 36 3HZ LYS 36 -12.852 -11.231 -8.262 271 H CYS 37 H CYS 37 -9.116 -6.600 -9.487 272 HA CYS 37 HA CYS 37 -7.887 -4.705 -11.314 273 1HB CYS 37 1HB CYS 37 -7.989 -4.517 -8.710 274 2HB CYS 37 2HB CYS 37 -6.649 -5.645 -8.747 275 H CYS 38 H CYS 38 -6.982 -5.791 -13.058 276 HA CYS 38 HA CYS 38 -5.346 -8.129 -12.386 277 1HB CYS 38 1HB CYS 38 -7.519 -8.360 -13.852 278 2HB CYS 38 2HB CYS 38 -6.491 -7.732 -15.125 279 H LYS 39 H LYS 39 -3.195 -8.046 -13.095 280 HA LYS 39 HA LYS 39 -2.500 -5.803 -14.851 281 1HB LYS 39 1HB LYS 39 -2.056 -5.415 -12.340 282 2HB LYS 39 2HB LYS 39 -0.790 -6.615 -12.499 283 1HG LYS 39 1HG LYS 39 -0.169 -4.098 -12.861 284 2HG LYS 39 2HG LYS 39 0.484 -5.284 -13.974 285 1HD LYS 39 1HD LYS 39 -1.093 -4.721 -15.690 286 2HD LYS 39 2HD LYS 39 -2.151 -3.889 -14.567 287 1HE LYS 39 1HE LYS 39 0.458 -2.644 -14.431 288 2HE LYS 39 2HE LYS 39 0.012 -2.788 -16.119 289 1HZ LYS 39 1HZ LYS 39 -1.925 -1.789 -14.178 290 2HZ LYS 39 2HZ LYS 39 -0.797 -0.787 -14.804 291 3HZ LYS 39 3HZ LYS 39 -1.866 -1.531 -15.790 292 H LYS 40 H LYS 40 0.002 -6.190 -15.515 293 HA LYS 40 HA LYS 40 -0.056 -8.562 -17.025 294 1HB LYS 40 1HB LYS 40 2.118 -7.860 -17.820 295 2HB LYS 40 2HB LYS 40 1.037 -6.483 -17.758 296 1HG LYS 40 1HG LYS 40 2.496 -6.871 -15.220 297 2HG LYS 40 2HG LYS 40 3.580 -6.646 -16.578 298 1HD LYS 40 1HD LYS 40 1.281 -4.777 -16.615 299 2HD LYS 40 2HD LYS 40 2.275 -4.608 -15.181 300 1HE LYS 40 1HE LYS 40 4.185 -3.980 -16.401 301 2HE LYS 40 2HE LYS 40 3.669 -4.816 -17.852 302 1HZ LYS 40 1HZ LYS 40 2.081 -2.579 -16.890 303 2HZ LYS 40 2HZ LYS 40 3.475 -2.271 -17.683 304 3HZ LYS 40 3HZ LYS 40 2.287 -3.117 -18.418 305 HA PRO 41 HA PRO 41 1.613 -11.305 -14.123 306 1HB PRO 41 1HB PRO 41 2.152 -13.417 -15.772 307 2HB PRO 41 2HB PRO 41 0.559 -13.095 -15.116 308 1HG PRO 41 1HG PRO 41 1.558 -12.645 -17.862 309 2HG PRO 41 2HG PRO 41 -0.099 -12.736 -17.298 310 1HD PRO 41 1HD PRO 41 1.355 -10.358 -17.977 311 2HD PRO 41 2HD PRO 41 -0.260 -10.443 -17.303 Start of MODEL 16 1 H GLY 1 H GLY 1 1.884 0.000 0.829 2 1HA GLY 1 1HA GLY 1 2.155 1.019 -1.625 3 2HA GLY 1 2HA GLY 1 3.088 -0.354 -1.064 4 H ILE 2 H ILE 2 3.013 -0.710 -3.554 5 HA ILE 2 HA ILE 2 1.100 -1.252 -5.187 6 HB ILE 2 HB ILE 2 3.506 -2.856 -4.485 7 1HG1 ILE 2 1HG1 ILE 2 2.644 -0.909 -6.526 8 2HG1 ILE 2 2HG1 ILE 2 4.227 -1.193 -5.829 9 1HG2 ILE 2 1HG2 ILE 2 1.494 -3.738 -6.572 10 2HG2 ILE 2 2HG2 ILE 2 3.105 -4.441 -6.292 11 3HG2 ILE 2 3HG2 ILE 2 1.846 -4.574 -5.041 12 1HD1 ILE 2 1HD1 ILE 2 2.895 -2.982 -7.915 13 2HD1 ILE 2 2HD1 ILE 2 4.167 -1.782 -8.247 14 3HD1 ILE 2 3HD1 ILE 2 4.527 -3.205 -7.240 15 H GLY 3 H GLY 3 -0.990 -1.744 -4.706 16 1HA GLY 3 1HA GLY 3 -2.612 -3.396 -4.468 17 2HA GLY 3 2HA GLY 3 -1.485 -4.402 -3.579 18 H ASP 4 H ASP 4 -2.775 -1.009 -3.251 19 HA ASP 4 HA ASP 4 -3.050 -1.565 -0.417 20 1HB ASP 4 1HB ASP 4 -3.649 1.177 -1.347 21 2HB ASP 4 2HB ASP 4 -2.586 0.650 -0.057 22 HD2 ASP 4 HD2 ASP 4 0.074 1.627 -1.976 23 HA PRO 5 HA PRO 5 -7.406 -0.890 -0.653 24 1HB PRO 5 1HB PRO 5 -8.091 1.193 0.978 25 2HB PRO 5 2HB PRO 5 -7.709 -0.408 1.578 26 1HG PRO 5 1HG PRO 5 -6.060 2.044 1.663 27 2HG PRO 5 2HG PRO 5 -5.895 0.576 2.607 28 1HD PRO 5 1HD PRO 5 -4.290 1.363 0.363 29 2HD PRO 5 2HD PRO 5 -4.202 -0.155 1.234 30 H VAL 6 H VAL 6 -7.022 2.563 -0.241 31 HA VAL 6 HA VAL 6 -8.631 2.970 -2.576 32 HB VAL 6 HB VAL 6 -7.594 4.521 -0.301 33 1HG1 VAL 6 1HG1 VAL 6 -6.548 5.990 -1.749 34 2HG1 VAL 6 2HG1 VAL 6 -7.704 5.688 -3.068 35 3HG1 VAL 6 3HG1 VAL 6 -8.184 6.685 -1.673 36 1HG2 VAL 6 1HG2 VAL 6 -9.888 3.886 -0.288 37 2HG2 VAL 6 2HG2 VAL 6 -9.854 5.634 -0.620 38 3HG2 VAL 6 3HG2 VAL 6 -10.139 4.482 -1.946 39 H THR 7 H THR 7 -5.307 4.075 -1.584 40 HA THR 7 HA THR 7 -4.433 5.165 -3.864 41 HB THR 7 HB THR 7 -3.278 3.735 -1.557 42 HG1 THR 7 HG1 THR 7 -2.765 5.890 -1.561 43 1HG2 THR 7 1HG2 THR 7 -1.076 3.336 -2.484 44 2HG2 THR 7 2HG2 THR 7 -2.209 2.467 -3.546 45 3HG2 THR 7 3HG2 THR 7 -1.540 4.037 -4.053 46 H CYS 8 H CYS 8 -5.129 1.720 -3.371 47 HA CYS 8 HA CYS 8 -3.744 0.781 -5.598 48 1HB CYS 8 1HB CYS 8 -4.665 -0.585 -3.715 49 2HB CYS 8 2HB CYS 8 -6.268 -0.361 -4.386 50 H LEU 9 H LEU 9 -7.280 1.537 -5.124 51 HA LEU 9 HA LEU 9 -7.944 1.255 -7.820 52 1HB LEU 9 1HB LEU 9 -9.915 2.771 -7.034 53 2HB LEU 9 2HB LEU 9 -9.761 1.116 -6.479 54 HG LEU 9 HG LEU 9 -8.520 2.152 -4.436 55 1HD1 LEU 9 1HD1 LEU 9 -9.035 4.399 -3.861 56 2HD1 LEU 9 2HD1 LEU 9 -8.384 4.425 -5.517 57 3HD1 LEU 9 3HD1 LEU 9 -10.137 4.576 -5.247 58 1HD2 LEU 9 1HD2 LEU 9 -10.373 1.461 -3.438 59 2HD2 LEU 9 2HD2 LEU 9 -11.215 2.948 -3.935 60 3HD2 LEU 9 3HD2 LEU 9 -11.235 1.518 -4.994 61 H LYS 10 H LYS 10 -6.346 3.817 -6.019 62 HA LYS 10 HA LYS 10 -6.971 6.024 -7.515 63 1HB LYS 10 1HB LYS 10 -5.443 5.627 -5.394 64 2HB LYS 10 2HB LYS 10 -4.155 5.591 -6.581 65 1HG LYS 10 1HG LYS 10 -4.341 7.886 -5.914 66 2HG LYS 10 2HG LYS 10 -5.076 7.802 -7.503 67 1HD LYS 10 1HD LYS 10 -7.321 7.791 -6.557 68 2HD LYS 10 2HD LYS 10 -6.702 7.566 -4.933 69 1HE LYS 10 1HE LYS 10 -5.482 9.817 -5.205 70 2HE LYS 10 2HE LYS 10 -6.385 10.041 -6.690 71 1HZ LYS 10 1HZ LYS 10 -7.406 10.999 -4.667 72 2HZ LYS 10 2HZ LYS 10 -8.393 9.998 -5.498 73 3HZ LYS 10 3HZ LYS 10 -7.684 9.486 -4.119 74 H SER 11 H SER 11 -5.292 3.124 -8.468 75 HA SER 11 HA SER 11 -5.399 3.328 -11.030 76 1HB SER 11 1HB SER 11 -3.370 5.335 -10.119 77 2HB SER 11 2HB SER 11 -2.934 4.375 -11.519 78 HG SER 11 HG SER 11 -4.073 6.380 -12.054 79 H GLY 12 H GLY 12 -3.631 2.561 -8.168 80 1HA GLY 12 1HA GLY 12 -1.474 1.077 -9.116 81 2HA GLY 12 2HA GLY 12 -2.306 0.842 -7.591 82 H ALA 13 H ALA 13 -4.964 0.356 -8.990 83 HA ALA 13 HA ALA 13 -4.810 -1.729 -10.789 84 1HB ALA 13 1HB ALA 13 -4.131 -2.486 -8.038 85 2HB ALA 13 2HB ALA 13 -5.524 -3.397 -8.669 86 3HB ALA 13 3HB ALA 13 -3.976 -3.418 -9.546 87 H ILE 14 H ILE 14 -6.989 -3.249 -10.307 88 HA ILE 14 HA ILE 14 -9.062 -1.218 -10.007 89 HB ILE 14 HB ILE 14 -10.454 -3.158 -11.000 90 1HG1 ILE 14 1HG1 ILE 14 -7.954 -4.110 -12.286 91 2HG1 ILE 14 2HG1 ILE 14 -8.203 -4.627 -10.630 92 1HG2 ILE 14 1HG2 ILE 14 -9.092 -0.985 -12.072 93 2HG2 ILE 14 2HG2 ILE 14 -8.662 -2.340 -13.142 94 3HG2 ILE 14 3HG2 ILE 14 -10.372 -1.939 -12.860 95 1HD1 ILE 14 1HD1 ILE 14 -9.656 -5.412 -13.082 96 2HD1 ILE 14 2HD1 ILE 14 -9.504 -6.267 -11.528 97 3HD1 ILE 14 3HD1 ILE 14 -10.731 -4.993 -11.727 98 H CYS 15 H CYS 15 -11.072 -1.803 -8.817 99 HA CYS 15 HA CYS 15 -10.342 -3.402 -6.482 100 1HB CYS 15 1HB CYS 15 -12.116 -1.020 -6.875 101 2HB CYS 15 2HB CYS 15 -12.456 -2.133 -5.565 102 H HIS 16 H HIS 16 -11.280 -5.412 -6.380 103 HA HIS 16 HA HIS 16 -13.991 -5.694 -7.354 104 1HB HIS 16 1HB HIS 16 -13.114 -7.933 -8.449 105 2HB HIS 16 2HB HIS 16 -13.148 -6.421 -9.335 106 HD1 HIS 16 HD1 HIS 16 -10.798 -8.934 -7.841 107 HD2 HIS 16 HD2 HIS 16 -10.597 -5.253 -9.842 108 HE1 HIS 16 HE1 HIS 16 -8.361 -8.629 -8.534 109 HE2 HIS 16 HE2 HIS 16 -8.310 -6.377 -9.807 110 HA PRO 17 HA PRO 17 -13.672 -7.872 -3.542 111 1HB PRO 17 1HB PRO 17 -16.337 -7.835 -2.936 112 2HB PRO 17 2HB PRO 17 -15.236 -6.545 -2.496 113 1HG PRO 17 1HG PRO 17 -17.269 -6.595 -4.641 114 2HG PRO 17 2HG PRO 17 -16.473 -5.213 -3.915 115 1HD PRO 17 1HD PRO 17 -15.900 -6.373 -6.475 116 2HD PRO 17 2HD PRO 17 -15.029 -5.066 -5.698 117 H VAL 18 H VAL 18 -12.866 -9.701 -4.769 118 HA VAL 18 HA VAL 18 -14.345 -11.948 -4.294 119 HB VAL 18 HB VAL 18 -14.794 -12.321 -6.926 120 1HG1 VAL 18 1HG1 VAL 18 -16.326 -11.972 -4.564 121 2HG1 VAL 18 2HG1 VAL 18 -17.138 -11.047 -5.851 122 3HG1 VAL 18 3HG1 VAL 18 -16.802 -12.781 -6.076 123 1HG2 VAL 18 1HG2 VAL 18 -14.194 -9.702 -7.029 124 2HG2 VAL 18 2HG2 VAL 18 -15.378 -10.468 -8.115 125 3HG2 VAL 18 3HG2 VAL 18 -15.934 -9.580 -6.675 126 H PHE 19 H PHE 19 -13.173 -11.822 -7.594 127 HA PHE 19 HA PHE 19 -10.624 -12.929 -6.642 128 1HB PHE 19 1HB PHE 19 -10.877 -13.933 -9.142 129 2HB PHE 19 2HB PHE 19 -11.675 -14.713 -7.791 130 HD1 PHE 19 HD1 PHE 19 -12.156 -12.648 -10.770 131 HD2 PHE 19 HD2 PHE 19 -14.084 -14.561 -7.510 132 HE1 PHE 19 HE1 PHE 19 -14.373 -12.354 -11.910 133 HE2 PHE 19 HE2 PHE 19 -16.301 -14.268 -8.650 134 HZ PHE 19 HZ PHE 19 -16.419 -13.168 -10.836 135 H CYS 20 H CYS 20 -9.131 -12.959 -8.924 136 HA CYS 20 HA CYS 20 -9.123 -10.136 -9.714 137 1HB CYS 20 1HB CYS 20 -7.188 -10.212 -8.536 138 2HB CYS 20 2HB CYS 20 -6.957 -11.931 -8.783 139 HA PRO 21 HA PRO 21 -9.761 -12.582 -13.445 140 1HB PRO 21 1HB PRO 21 -11.547 -10.895 -14.642 141 2HB PRO 21 2HB PRO 21 -12.031 -12.232 -13.617 142 1HG PRO 21 1HG PRO 21 -12.013 -9.339 -13.006 143 2HG PRO 21 2HG PRO 21 -12.869 -10.629 -12.185 144 1HD PRO 21 1HD PRO 21 -10.480 -9.316 -11.294 145 2HD PRO 21 2HD PRO 21 -11.271 -10.682 -10.533 146 H ARG 22 H ARG 22 -9.860 -11.729 -15.924 147 HA ARG 22 HA ARG 22 -8.733 -10.780 -17.505 148 1HB ARG 22 1HB ARG 22 -8.400 -8.669 -15.359 149 2HB ARG 22 2HB ARG 22 -7.466 -8.510 -16.834 150 1HG ARG 22 1HG ARG 22 -9.569 -7.286 -17.095 151 2HG ARG 22 2HG ARG 22 -9.579 -8.663 -18.179 152 1HD ARG 22 1HD ARG 22 -11.754 -8.466 -17.009 153 2HD ARG 22 2HD ARG 22 -10.954 -9.960 -16.562 154 HE ARG 22 HE ARG 22 -10.613 -9.127 -14.375 155 1HH1 ARG 22 1HH1 ARG 22 -11.712 -6.117 -12.994 156 2HH1 ARG 22 2HH1 ARG 22 -11.051 -7.683 -12.660 157 1HH2 ARG 22 1HH2 ARG 22 -12.151 -5.486 -15.184 158 2HH2 ARG 22 2HH2 ARG 22 -11.818 -6.581 -16.484 159 H ARG 23 H ARG 23 -6.354 -10.083 -18.187 160 HA ARG 23 HA ARG 23 -4.666 -12.052 -17.151 161 1HB ARG 23 1HB ARG 23 -4.584 -9.977 -19.275 162 2HB ARG 23 2HB ARG 23 -3.010 -10.306 -18.578 163 1HG ARG 23 1HG ARG 23 -3.229 -12.705 -19.062 164 2HG ARG 23 2HG ARG 23 -4.889 -12.493 -19.584 165 1HD ARG 23 1HD ARG 23 -3.925 -12.383 -21.675 166 2HD ARG 23 2HD ARG 23 -3.695 -10.698 -21.252 167 HE ARG 23 HE ARG 23 -1.396 -11.080 -21.167 168 1HH1 ARG 23 1HH1 ARG 23 0.451 -14.036 -21.010 169 2HH1 ARG 23 2HH1 ARG 23 0.527 -12.314 -21.179 170 1HH2 ARG 23 1HH2 ARG 23 -1.603 -15.090 -20.771 171 2HH2 ARG 23 2HH2 ARG 23 -3.060 -14.154 -20.762 172 H TYR 24 H TYR 24 -5.682 -9.509 -15.498 173 HA TYR 24 HA TYR 24 -3.210 -8.252 -14.755 174 1HB TYR 24 1HB TYR 24 -6.058 -7.870 -14.596 175 2HB TYR 24 2HB TYR 24 -5.533 -8.032 -12.932 176 HD1 TYR 24 HD1 TYR 24 -6.151 -5.730 -12.401 177 HD2 TYR 24 HD2 TYR 24 -3.282 -6.585 -15.457 178 HE1 TYR 24 HE1 TYR 24 -5.414 -3.296 -12.400 179 HE2 TYR 24 HE2 TYR 24 -2.554 -4.149 -15.446 180 HH TYR 24 HH TYR 24 -4.337 -1.744 -13.674 181 H LYS 25 H LYS 25 -2.567 -8.131 -12.380 182 HA LYS 25 HA LYS 25 -3.320 -10.376 -10.764 183 1HB LYS 25 1HB LYS 25 -1.324 -10.901 -12.574 184 2HB LYS 25 2HB LYS 25 -0.400 -10.380 -11.180 185 1HG LYS 25 1HG LYS 25 -2.322 -12.032 -10.019 186 2HG LYS 25 2HG LYS 25 -2.029 -12.830 -11.552 187 1HD LYS 25 1HD LYS 25 0.336 -13.050 -11.104 188 2HD LYS 25 2HD LYS 25 0.261 -11.933 -9.756 189 1HE LYS 25 1HE LYS 25 -1.479 -13.694 -8.767 190 2HE LYS 25 2HE LYS 25 -0.719 -14.794 -9.899 191 1HZ LYS 25 1HZ LYS 25 0.241 -14.482 -7.548 192 2HZ LYS 25 2HZ LYS 25 1.259 -14.650 -8.814 193 3HZ LYS 25 3HZ LYS 25 0.976 -13.170 -8.185 194 H GLN 26 H GLN 26 -2.187 -10.257 -8.592 195 HA GLN 26 HA GLN 26 -0.553 -8.337 -7.756 196 1HB GLN 26 1HB GLN 26 -1.813 -6.487 -8.515 197 2HB GLN 26 2HB GLN 26 -3.345 -7.220 -8.082 198 1HG GLN 26 1HG GLN 26 -2.861 -5.472 -6.458 199 2HG GLN 26 2HG GLN 26 -2.721 -7.018 -5.646 200 1HE2 GLN 26 1HE2 GLN 26 -0.770 -7.764 -4.943 201 2HE2 GLN 26 2HE2 GLN 26 0.681 -6.819 -4.908 202 H ILE 27 H ILE 27 -3.976 -8.734 -6.607 203 HA ILE 27 HA ILE 27 -4.794 -10.036 -4.976 204 HB ILE 27 HB ILE 27 -2.020 -10.891 -4.186 205 1HG1 ILE 27 1HG1 ILE 27 -3.396 -12.777 -5.914 206 2HG1 ILE 27 2HG1 ILE 27 -3.125 -11.256 -6.741 207 1HG2 ILE 27 1HG2 ILE 27 -3.518 -11.597 -2.555 208 2HG2 ILE 27 2HG2 ILE 27 -4.810 -11.922 -3.735 209 3HG2 ILE 27 3HG2 ILE 27 -3.402 -13.007 -3.636 210 1HD1 ILE 27 1HD1 ILE 27 -0.797 -12.155 -5.139 211 2HD1 ILE 27 2HD1 ILE 27 -1.239 -13.259 -6.464 212 3HD1 ILE 27 3HD1 ILE 27 -0.862 -11.555 -6.814 213 H GLY 28 H GLY 28 -4.595 -7.352 -4.750 214 1HA GLY 28 1HA GLY 28 -3.637 -6.962 -1.976 215 2HA GLY 28 2HA GLY 28 -3.497 -5.744 -3.228 216 H THR 29 H THR 29 -5.334 -6.704 -0.599 217 HA THR 29 HA THR 29 -7.961 -6.509 -1.280 218 HB THR 29 HB THR 29 -6.910 -5.047 1.154 219 HG1 THR 29 HG1 THR 29 -6.370 -7.243 1.945 220 1HG2 THR 29 1HG2 THR 29 -8.517 -7.020 2.071 221 2HG2 THR 29 2HG2 THR 29 -9.187 -5.476 1.490 222 3HG2 THR 29 3HG2 THR 29 -9.176 -6.900 0.422 223 H CYS 30 H CYS 30 -9.384 -4.476 -0.466 224 HA CYS 30 HA CYS 30 -8.258 -2.126 -1.793 225 1HB CYS 30 1HB CYS 30 -9.826 -3.449 -3.282 226 2HB CYS 30 2HB CYS 30 -11.113 -3.037 -2.167 227 H GLY 31 H GLY 31 -10.654 -3.635 0.438 228 1HA GLY 31 1HA GLY 31 -10.509 -1.230 2.118 229 2HA GLY 31 2HA GLY 31 -12.081 -1.794 1.587 230 H LEU 32 H LEU 32 -12.866 -2.416 3.639 231 HA LEU 32 HA LEU 32 -11.268 -4.227 5.223 232 1HB LEU 32 1HB LEU 32 -12.544 -3.606 6.945 233 2HB LEU 32 2HB LEU 32 -12.916 -2.245 5.905 234 HG LEU 32 HG LEU 32 -14.968 -3.501 5.132 235 1HD1 LEU 32 1HD1 LEU 32 -13.800 -5.534 6.881 236 2HD1 LEU 32 2HD1 LEU 32 -15.510 -5.193 7.242 237 3HD1 LEU 32 3HD1 LEU 32 -15.028 -5.681 5.600 238 1HD2 LEU 32 1HD2 LEU 32 -15.530 -1.805 6.555 239 2HD2 LEU 32 2HD2 LEU 32 -16.093 -3.200 7.506 240 3HD2 LEU 32 3HD2 LEU 32 -14.532 -2.435 7.889 241 HA PRO 33 HA PRO 33 -14.771 -6.883 3.419 242 1HB PRO 33 1HB PRO 33 -15.558 -6.271 0.875 243 2HB PRO 33 2HB PRO 33 -16.448 -5.771 2.299 244 1HG PRO 33 1HG PRO 33 -14.714 -4.153 0.534 245 2HG PRO 33 2HG PRO 33 -15.925 -3.612 1.680 246 1HD PRO 33 1HD PRO 33 -13.080 -3.559 2.038 247 2HD PRO 33 2HD PRO 33 -14.294 -3.127 3.226 248 H GLY 34 H GLY 34 -12.097 -7.200 3.514 249 1HA GLY 34 1HA GLY 34 -10.297 -8.043 2.333 250 2HA GLY 34 2HA GLY 34 -11.426 -9.383 2.289 251 H THR 35 H THR 35 -11.533 -6.209 0.538 252 HA THR 35 HA THR 35 -12.430 -7.266 -1.851 253 HB THR 35 HB THR 35 -10.772 -4.930 -2.287 254 HG1 THR 35 HG1 THR 35 -12.246 -3.932 -0.351 255 1HG2 THR 35 1HG2 THR 35 -13.207 -5.538 -3.111 256 2HG2 THR 35 2HG2 THR 35 -13.722 -4.869 -1.544 257 3HG2 THR 35 3HG2 THR 35 -12.850 -3.842 -2.707 258 H LYS 36 H LYS 36 -11.111 -6.974 -4.013 259 HA LYS 36 HA LYS 36 -8.454 -8.137 -3.627 260 1HB LYS 36 1HB LYS 36 -10.687 -9.276 -5.325 261 2HB LYS 36 2HB LYS 36 -9.002 -9.698 -5.556 262 1HG LYS 36 1HG LYS 36 -10.707 -10.165 -3.075 263 2HG LYS 36 2HG LYS 36 -9.954 -11.375 -4.095 264 1HD LYS 36 1HD LYS 36 -8.256 -9.306 -2.657 265 2HD LYS 36 2HD LYS 36 -8.807 -10.741 -1.815 266 1HE LYS 36 1HE LYS 36 -7.520 -11.115 -4.517 267 2HE LYS 36 2HE LYS 36 -6.478 -10.697 -3.171 268 1HZ LYS 36 1HZ LYS 36 -6.551 -12.926 -2.959 269 2HZ LYS 36 2HZ LYS 36 -7.856 -12.583 -2.038 270 3HZ LYS 36 3HZ LYS 36 -8.053 -13.089 -3.578 271 H CYS 37 H CYS 37 -7.135 -6.576 -4.413 272 HA CYS 37 HA CYS 37 -8.072 -5.082 -6.728 273 1HB CYS 37 1HB CYS 37 -7.127 -4.031 -4.555 274 2HB CYS 37 2HB CYS 37 -5.560 -4.502 -5.180 275 H CYS 38 H CYS 38 -7.129 -5.377 -8.751 276 HA CYS 38 HA CYS 38 -4.818 -7.180 -8.811 277 1HB CYS 38 1HB CYS 38 -7.190 -7.900 -9.738 278 2HB CYS 38 2HB CYS 38 -6.688 -6.966 -11.133 279 H LYS 39 H LYS 39 -3.016 -6.393 -9.911 280 HA LYS 39 HA LYS 39 -3.420 -3.886 -11.390 281 1HB LYS 39 1HB LYS 39 -1.414 -3.016 -10.522 282 2HB LYS 39 2HB LYS 39 -2.260 -3.688 -9.142 283 1HG LYS 39 1HG LYS 39 -0.359 -4.853 -8.699 284 2HG LYS 39 2HG LYS 39 -0.777 -5.871 -10.062 285 1HD LYS 39 1HD LYS 39 1.420 -5.169 -10.585 286 2HD LYS 39 2HD LYS 39 0.427 -4.082 -11.536 287 1HE LYS 39 1HE LYS 39 1.107 -3.207 -8.738 288 2HE LYS 39 2HE LYS 39 2.409 -3.197 -9.910 289 1HZ LYS 39 1HZ LYS 39 1.535 -1.207 -10.365 290 2HZ LYS 39 2HZ LYS 39 0.498 -2.047 -11.306 291 3HZ LYS 39 3HZ LYS 39 0.042 -1.569 -9.812 292 H LYS 40 H LYS 40 -1.146 -3.571 -12.753 293 HA LYS 40 HA LYS 40 -1.329 -5.563 -14.732 294 1HB LYS 40 1HB LYS 40 -0.660 -3.705 -15.788 295 2HB LYS 40 2HB LYS 40 0.009 -2.997 -14.331 296 1HG LYS 40 1HG LYS 40 2.109 -4.098 -14.606 297 2HG LYS 40 2HG LYS 40 1.448 -5.288 -15.710 298 1HD LYS 40 1HD LYS 40 1.208 -2.435 -16.588 299 2HD LYS 40 2HD LYS 40 2.839 -3.071 -16.521 300 1HE LYS 40 1HE LYS 40 2.511 -4.225 -18.446 301 2HE LYS 40 2HE LYS 40 1.152 -5.078 -17.741 302 1HZ LYS 40 1HZ LYS 40 -0.063 -2.879 -18.223 303 2HZ LYS 40 2HZ LYS 40 1.143 -2.617 -19.291 304 3HZ LYS 40 3HZ LYS 40 0.191 -3.936 -19.441 305 HA PRO 41 HA PRO 41 1.531 -8.424 -13.210 306 1HB PRO 41 1HB PRO 41 1.999 -9.879 -15.474 307 2HB PRO 41 2HB PRO 41 0.594 -10.118 -14.455 308 1HG PRO 41 1HG PRO 41 0.768 -8.790 -17.090 309 2HG PRO 41 2HG PRO 41 -0.648 -9.410 -16.265 310 1HD PRO 41 1HD PRO 41 0.140 -6.661 -16.492 311 2HD PRO 41 2HD PRO 41 -1.210 -7.291 -15.570 Start of MODEL 17 1 H GLY 1 H GLY 1 1.884 0.000 0.829 2 1HA GLY 1 1HA GLY 1 2.839 -0.775 -1.214 3 2HA GLY 1 2HA GLY 1 1.408 -0.242 -2.074 4 H ILE 2 H ILE 2 3.322 0.784 -3.376 5 HA ILE 2 HA ILE 2 4.999 2.669 -2.715 6 HB ILE 2 HB ILE 2 3.125 2.376 -4.982 7 1HG1 ILE 2 1HG1 ILE 2 5.947 2.016 -4.376 8 2HG1 ILE 2 2HG1 ILE 2 4.969 1.305 -5.644 9 1HG2 ILE 2 1HG2 ILE 2 2.929 4.774 -4.570 10 2HG2 ILE 2 2HG2 ILE 2 4.702 4.931 -4.566 11 3HG2 ILE 2 3HG2 ILE 2 3.855 4.452 -6.056 12 1HD1 ILE 2 1HD1 ILE 2 6.809 2.708 -6.569 13 2HD1 ILE 2 2HD1 ILE 2 5.210 3.344 -7.024 14 3HD1 ILE 2 3HD1 ILE 2 6.141 4.124 -5.723 15 H GLY 3 H GLY 3 5.008 4.265 -1.233 16 1HA GLY 3 1HA GLY 3 2.601 5.972 -1.068 17 2HA GLY 3 2HA GLY 3 3.382 5.341 0.368 18 H ASP 4 H ASP 4 5.855 5.794 0.531 19 HA ASP 4 HA ASP 4 6.917 7.891 -0.958 20 1HB ASP 4 1HB ASP 4 6.530 9.778 0.295 21 2HB ASP 4 2HB ASP 4 5.093 8.902 0.784 22 HD2 ASP 4 HD2 ASP 4 5.684 10.603 2.539 23 HA PRO 5 HA PRO 5 10.413 6.687 1.438 24 1HB PRO 5 1HB PRO 5 11.764 8.944 2.179 25 2HB PRO 5 2HB PRO 5 11.838 8.270 0.563 26 1HG PRO 5 1HG PRO 5 10.375 10.658 1.510 27 2HG PRO 5 2HG PRO 5 10.809 10.215 -0.129 28 1HD PRO 5 1HD PRO 5 8.219 9.984 1.083 29 2HD PRO 5 2HD PRO 5 8.681 9.435 -0.516 30 H VAL 6 H VAL 6 8.927 9.355 3.199 31 HA VAL 6 HA VAL 6 9.776 8.173 5.688 32 HB VAL 6 HB VAL 6 8.490 10.688 4.763 33 1HG1 VAL 6 1HG1 VAL 6 8.229 11.050 7.430 34 2HG1 VAL 6 2HG1 VAL 6 6.896 10.531 6.371 35 3HG1 VAL 6 3HG1 VAL 6 7.806 9.325 7.313 36 1HG2 VAL 6 1HG2 VAL 6 10.735 11.034 5.087 37 2HG2 VAL 6 2HG2 VAL 6 10.136 11.439 6.713 38 3HG2 VAL 6 3HG2 VAL 6 10.847 9.837 6.400 39 H THR 7 H THR 7 6.517 9.303 4.546 40 HA THR 7 HA THR 7 4.963 7.942 6.263 41 HB THR 7 HB THR 7 4.746 9.143 3.608 42 HG1 THR 7 HG1 THR 7 2.697 9.671 4.668 43 1HG2 THR 7 1HG2 THR 7 3.955 7.037 2.708 44 2HG2 THR 7 2HG2 THR 7 3.090 6.647 4.214 45 3HG2 THR 7 3HG2 THR 7 2.494 7.948 3.157 46 H CYS 8 H CYS 8 6.926 6.534 3.687 47 HA CYS 8 HA CYS 8 5.761 4.202 3.153 48 1HB CYS 8 1HB CYS 8 7.712 4.001 2.139 49 2HB CYS 8 2HB CYS 8 8.442 5.203 3.183 50 H LEU 9 H LEU 9 7.167 5.274 6.251 51 HA LEU 9 HA LEU 9 7.041 2.667 7.431 52 1HB LEU 9 1HB LEU 9 7.212 5.032 9.174 53 2HB LEU 9 2HB LEU 9 8.176 3.569 9.142 54 HG LEU 9 HG LEU 9 8.744 5.117 6.781 55 1HD1 LEU 9 1HD1 LEU 9 9.474 6.683 9.230 56 2HD1 LEU 9 2HD1 LEU 9 9.355 7.203 7.532 57 3HD1 LEU 9 3HD1 LEU 9 7.876 6.915 8.480 58 1HD2 LEU 9 1HD2 LEU 9 10.211 3.419 7.747 59 2HD2 LEU 9 2HD2 LEU 9 11.036 4.991 7.626 60 3HD2 LEU 9 3HD2 LEU 9 10.432 4.421 9.201 61 H LYS 10 H LYS 10 5.150 5.750 7.634 62 HA LYS 10 HA LYS 10 3.347 5.076 9.531 63 1HB LYS 10 1HB LYS 10 3.651 7.188 7.963 64 2HB LYS 10 2HB LYS 10 2.370 6.429 7.040 65 1HG LYS 10 1HG LYS 10 1.216 7.817 8.588 66 2HG LYS 10 2HG LYS 10 1.081 6.212 9.278 67 1HD LYS 10 1HD LYS 10 2.903 6.652 10.848 68 2HD LYS 10 2HD LYS 10 3.289 8.169 10.059 69 1HE LYS 10 1HE LYS 10 0.554 8.427 10.671 70 2HE LYS 10 2HE LYS 10 1.204 7.582 12.062 71 1HZ LYS 10 1HZ LYS 10 2.345 9.371 12.669 72 2HZ LYS 10 2HZ LYS 10 2.839 9.740 11.157 73 3HZ LYS 10 3HZ LYS 10 1.363 10.213 11.672 74 H SER 11 H SER 11 3.748 3.660 6.331 75 HA SER 11 HA SER 11 2.552 1.377 6.750 76 1HB SER 11 1HB SER 11 0.441 3.473 6.449 77 2HB SER 11 2HB SER 11 0.181 2.001 5.534 78 HG SER 11 HG SER 11 0.665 0.863 7.666 79 H GLY 12 H GLY 12 4.445 1.483 5.168 80 1HA GLY 12 1HA GLY 12 3.387 1.481 2.429 81 2HA GLY 12 2HA GLY 12 4.776 2.485 2.793 82 H ALA 13 H ALA 13 6.215 0.913 4.637 83 HA ALA 13 HA ALA 13 6.487 -1.751 4.128 84 1HB ALA 13 1HB ALA 13 7.171 -1.853 1.979 85 2HB ALA 13 2HB ALA 13 7.435 -0.095 1.898 86 3HB ALA 13 3HB ALA 13 8.706 -1.157 2.552 87 H ILE 14 H ILE 14 8.929 -2.461 4.601 88 HA ILE 14 HA ILE 14 9.638 -0.993 6.963 89 HB ILE 14 HB ILE 14 11.456 -2.838 6.983 90 1HG1 ILE 14 1HG1 ILE 14 9.621 -4.445 5.288 91 2HG1 ILE 14 2HG1 ILE 14 10.652 -3.309 4.440 92 1HG2 ILE 14 1HG2 ILE 14 10.116 -3.926 8.419 93 2HG2 ILE 14 2HG2 ILE 14 8.979 -2.598 8.086 94 3HG2 ILE 14 3HG2 ILE 14 8.823 -4.144 7.217 95 1HD1 ILE 14 1HD1 ILE 14 12.209 -4.979 4.557 96 2HD1 ILE 14 2HD1 ILE 14 12.449 -4.405 6.225 97 3HD1 ILE 14 3HD1 ILE 14 11.375 -5.788 5.906 98 H CYS 15 H CYS 15 11.949 -0.346 7.388 99 HA CYS 15 HA CYS 15 13.014 0.853 4.942 100 1HB CYS 15 1HB CYS 15 12.944 1.747 7.799 101 2HB CYS 15 2HB CYS 15 14.259 2.283 6.772 102 H HIS 16 H HIS 16 14.846 -0.134 4.167 103 HA HIS 16 HA HIS 16 16.813 -1.047 6.069 104 1HB HIS 16 1HB HIS 16 16.948 -3.256 4.693 105 2HB HIS 16 2HB HIS 16 15.798 -3.103 6.007 106 HD1 HIS 16 HD1 HIS 16 16.021 -3.475 2.287 107 HD2 HIS 16 HD2 HIS 16 13.059 -2.916 5.205 108 HE1 HIS 16 HE1 HIS 16 13.791 -3.959 1.145 109 HE2 HIS 16 HE2 HIS 16 12.014 -3.653 3.001 110 HA PRO 17 HA PRO 17 19.264 0.548 2.870 111 1HB PRO 17 1HB PRO 17 21.734 -0.199 3.769 112 2HB PRO 17 2HB PRO 17 20.887 1.216 4.360 113 1HG PRO 17 1HG PRO 17 21.280 -1.398 5.685 114 2HG PRO 17 2HG PRO 17 20.825 0.137 6.398 115 1HD PRO 17 1HD PRO 17 19.092 -2.081 5.848 116 2HD PRO 17 2HD PRO 17 18.619 -0.506 6.453 117 H VAL 18 H VAL 18 20.337 0.083 0.928 118 HA VAL 18 HA VAL 18 21.079 -1.244 -0.691 119 HB VAL 18 HB VAL 18 22.227 -3.129 -0.220 120 1HG1 VAL 18 1HG1 VAL 18 21.953 -2.716 2.704 121 2HG1 VAL 18 2HG1 VAL 18 23.405 -2.731 1.674 122 3HG1 VAL 18 3HG1 VAL 18 22.385 -1.274 1.754 123 1HG2 VAL 18 1HG2 VAL 18 20.931 -4.911 0.202 124 2HG2 VAL 18 2HG2 VAL 18 21.190 -4.542 1.924 125 3HG2 VAL 18 3HG2 VAL 18 19.735 -3.940 1.093 126 H PHE 19 H PHE 19 20.328 -3.781 -1.571 127 HA PHE 19 HA PHE 19 17.852 -3.345 -2.620 128 1HB PHE 19 1HB PHE 19 17.961 -5.951 -2.878 129 2HB PHE 19 2HB PHE 19 19.317 -5.050 -3.527 130 HD1 PHE 19 HD1 PHE 19 18.245 -6.770 -0.396 131 HD2 PHE 19 HD2 PHE 19 21.466 -5.669 -2.930 132 HE1 PHE 19 HE1 PHE 19 19.819 -8.117 1.020 133 HE2 PHE 19 HE2 PHE 19 23.041 -7.016 -1.513 134 HZ PHE 19 HZ PHE 19 22.198 -8.224 0.445 135 H CYS 20 H CYS 20 16.127 -5.433 -2.279 136 HA CYS 20 HA CYS 20 15.277 -5.021 0.486 137 1HB CYS 20 1HB CYS 20 13.516 -4.265 -0.735 138 2HB CYS 20 2HB CYS 20 13.847 -5.315 -2.098 139 HA PRO 21 HA PRO 21 16.356 -9.274 0.880 140 1HB PRO 21 1HB PRO 21 15.984 -9.480 3.580 141 2HB PRO 21 2HB PRO 21 17.477 -8.913 2.858 142 1HG PRO 21 1HG PRO 21 15.362 -7.352 4.211 143 2HG PRO 21 2HG PRO 21 17.018 -6.892 3.870 144 1HD PRO 21 1HD PRO 21 14.673 -6.035 2.457 145 2HD PRO 21 2HD PRO 21 16.337 -5.668 2.047 146 H ARG 22 H ARG 22 15.413 -11.349 1.850 147 HA ARG 22 HA ARG 22 13.751 -12.728 1.897 148 1HB ARG 22 1HB ARG 22 11.869 -10.427 2.594 149 2HB ARG 22 2HB ARG 22 11.686 -12.115 3.029 150 1HG ARG 22 1HG ARG 22 13.910 -10.266 4.018 151 2HG ARG 22 2HG ARG 22 12.508 -10.755 4.950 152 1HD ARG 22 1HD ARG 22 13.787 -12.495 5.685 153 2HD ARG 22 2HD ARG 22 13.522 -13.211 4.108 154 HE ARG 22 HE ARG 22 15.682 -11.412 3.804 155 1HH1 ARG 22 1HH1 ARG 22 18.279 -13.582 4.654 156 2HH1 ARG 22 2HH1 ARG 22 17.860 -12.101 3.861 157 1HH2 ARG 22 1HH2 ARG 22 16.629 -14.868 5.659 158 2HH2 ARG 22 2HH2 ARG 22 14.978 -14.345 5.616 159 H ARG 23 H ARG 23 11.480 -13.273 0.869 160 HA ARG 23 HA ARG 23 11.622 -12.380 -1.808 161 1HB ARG 23 1HB ARG 23 10.131 -14.446 -0.250 162 2HB ARG 23 2HB ARG 23 9.265 -13.830 -1.644 163 1HG ARG 23 1HG ARG 23 11.109 -14.420 -3.141 164 2HG ARG 23 2HG ARG 23 12.147 -14.826 -1.789 165 1HD ARG 23 1HD ARG 23 11.371 -16.945 -2.498 166 2HD ARG 23 2HD ARG 23 10.308 -16.582 -1.153 167 HE ARG 23 HE ARG 23 9.229 -15.590 -3.668 168 1HH1 ARG 23 1HH1 ARG 23 6.937 -18.200 -3.998 169 2HH1 ARG 23 2HH1 ARG 23 7.395 -16.625 -4.554 170 1HH2 ARG 23 1HH2 ARG 23 8.186 -19.260 -2.354 171 2HH2 ARG 23 2HH2 ARG 23 9.576 -18.475 -1.682 172 H TYR 24 H TYR 24 10.842 -10.462 0.479 173 HA TYR 24 HA TYR 24 8.129 -9.868 0.358 174 1HB TYR 24 1HB TYR 24 10.584 -8.938 1.491 175 2HB TYR 24 2HB TYR 24 10.015 -7.574 0.549 176 HD1 TYR 24 HD1 TYR 24 7.981 -10.080 2.439 177 HD2 TYR 24 HD2 TYR 24 9.327 -6.027 2.177 178 HE1 TYR 24 HE1 TYR 24 6.407 -9.428 4.326 179 HE2 TYR 24 HE2 TYR 24 7.748 -5.389 4.065 180 HH TYR 24 HH TYR 24 5.897 -6.085 5.173 181 H LYS 25 H LYS 25 8.291 -6.994 -0.289 182 HA LYS 25 HA LYS 25 8.970 -6.911 -3.090 183 1HB LYS 25 1HB LYS 25 6.566 -7.934 -2.717 184 2HB LYS 25 2HB LYS 25 6.111 -6.264 -2.443 185 1HG LYS 25 1HG LYS 25 6.686 -5.598 -4.635 186 2HG LYS 25 2HG LYS 25 7.803 -6.929 -4.861 187 1HD LYS 25 1HD LYS 25 4.894 -7.596 -4.425 188 2HD LYS 25 2HD LYS 25 5.354 -6.930 -5.979 189 1HE LYS 25 1HE LYS 25 7.292 -8.767 -5.852 190 2HE LYS 25 2HE LYS 25 6.213 -9.536 -4.705 191 1HZ LYS 25 1HZ LYS 25 5.127 -8.617 -7.240 192 2HZ LYS 25 2HZ LYS 25 5.990 -10.003 -7.210 193 3HZ LYS 25 3HZ LYS 25 4.642 -9.860 -6.299 194 H GLN 26 H GLN 26 10.214 -5.111 -3.061 195 HA GLN 26 HA GLN 26 9.326 -2.944 -1.348 196 1HB GLN 26 1HB GLN 26 11.522 -2.539 -0.969 197 2HB GLN 26 2HB GLN 26 11.840 -4.069 -1.762 198 1HG GLN 26 1HG GLN 26 11.675 -1.371 -3.188 199 2HG GLN 26 2HG GLN 26 13.167 -2.174 -2.740 200 1HE2 GLN 26 1HE2 GLN 26 12.361 -1.427 -5.352 201 2HE2 GLN 26 2HE2 GLN 26 12.222 -2.852 -6.328 202 H ILE 27 H ILE 27 9.379 -0.691 -2.206 203 HA ILE 27 HA ILE 27 9.667 -0.188 -4.948 204 HB ILE 27 HB ILE 27 7.080 0.385 -5.125 205 1HG1 ILE 27 1HG1 ILE 27 5.818 -1.650 -4.237 206 2HG1 ILE 27 2HG1 ILE 27 7.202 -1.948 -3.203 207 1HG2 ILE 27 1HG2 ILE 27 8.831 -1.422 -6.279 208 2HG2 ILE 27 2HG2 ILE 27 7.464 -2.437 -5.760 209 3HG2 ILE 27 3HG2 ILE 27 7.182 -1.044 -6.831 210 1HD1 ILE 27 1HD1 ILE 27 6.767 0.763 -2.788 211 2HD1 ILE 27 2HD1 ILE 27 5.113 0.138 -2.998 212 3HD1 ILE 27 3HD1 ILE 27 6.168 -0.542 -1.735 213 H GLY 28 H GLY 28 10.200 0.697 -2.064 214 1HA GLY 28 1HA GLY 28 9.577 3.523 -2.545 215 2HA GLY 28 2HA GLY 28 9.044 2.799 -1.041 216 H THR 29 H THR 29 10.575 4.612 -0.238 217 HA THR 29 HA THR 29 13.196 3.381 0.195 218 HB THR 29 HB THR 29 12.875 6.343 -0.462 219 HG1 THR 29 HG1 THR 29 13.464 3.986 -2.114 220 1HG2 THR 29 1HG2 THR 29 15.150 6.361 -0.262 221 2HG2 THR 29 2HG2 THR 29 15.068 4.692 0.353 222 3HG2 THR 29 3HG2 THR 29 15.284 4.990 -1.389 223 H CYS 30 H CYS 30 14.246 5.565 1.710 224 HA CYS 30 HA CYS 30 12.282 5.760 3.863 225 1HB CYS 30 1HB CYS 30 14.158 3.902 4.067 226 2HB CYS 30 2HB CYS 30 15.146 5.263 4.560 227 H GLY 31 H GLY 31 15.776 6.634 3.333 228 1HA GLY 31 1HA GLY 31 15.008 9.469 3.701 229 2HA GLY 31 2HA GLY 31 16.493 8.758 4.300 230 H LEU 32 H LEU 32 17.936 10.072 3.116 231 HA LEU 32 HA LEU 32 17.615 10.125 0.229 232 1HB LEU 32 1HB LEU 32 18.770 12.036 0.255 233 2HB LEU 32 2HB LEU 32 18.266 12.067 1.933 234 HG LEU 32 HG LEU 32 20.483 10.965 2.508 235 1HD1 LEU 32 1HD1 LEU 32 21.556 10.092 0.739 236 2HD1 LEU 32 2HD1 LEU 32 20.767 11.191 -0.418 237 3HD1 LEU 32 3HD1 LEU 32 22.171 11.748 0.522 238 1HD2 LEU 32 1HD2 LEU 32 20.059 13.754 1.567 239 2HD2 LEU 32 2HD2 LEU 32 20.508 13.133 3.173 240 3HD2 LEU 32 3HD2 LEU 32 21.734 13.245 1.887 241 HA PRO 33 HA PRO 33 21.423 7.474 1.249 242 1HB PRO 33 1HB PRO 33 20.990 5.632 3.221 243 2HB PRO 33 2HB PRO 33 21.843 7.139 3.488 244 1HG PRO 33 1HG PRO 33 19.093 6.401 4.282 245 2HG PRO 33 2HG PRO 33 20.100 7.700 4.890 246 1HD PRO 33 1HD PRO 33 17.910 7.942 3.053 247 2HD PRO 33 2HD PRO 33 18.989 9.221 3.572 248 H GLY 34 H GLY 34 19.627 7.290 -0.682 249 1HA GLY 34 1HA GLY 34 18.368 5.834 -1.930 250 2HA GLY 34 2HA GLY 34 19.902 4.986 -1.907 251 H THR 35 H THR 35 17.620 5.492 0.851 252 HA THR 35 HA THR 35 17.812 2.904 1.800 253 HB THR 35 HB THR 35 15.222 4.029 2.405 254 HG1 THR 35 HG1 THR 35 15.947 6.020 1.525 255 1HG2 THR 35 1HG2 THR 35 17.141 4.947 4.306 256 2HG2 THR 35 2HG2 THR 35 16.092 3.517 4.455 257 3HG2 THR 35 3HG2 THR 35 17.723 3.356 3.760 258 H LYS 36 H LYS 36 15.991 1.273 1.978 259 HA LYS 36 HA LYS 36 14.533 1.114 -0.558 260 1HB LYS 36 1HB LYS 36 16.336 -0.989 0.653 261 2HB LYS 36 2HB LYS 36 15.071 -1.390 -0.491 262 1HG LYS 36 1HG LYS 36 17.488 0.406 -0.941 263 2HG LYS 36 2HG LYS 36 17.082 -1.076 -1.784 264 1HD LYS 36 1HD LYS 36 15.256 1.358 -1.880 265 2HD LYS 36 2HD LYS 36 16.592 1.172 -2.998 266 1HE LYS 36 1HE LYS 36 14.964 -1.283 -2.795 267 2HE LYS 36 2HE LYS 36 14.015 0.098 -3.308 268 1HZ LYS 36 1HZ LYS 36 16.147 -1.242 -4.674 269 2HZ LYS 36 2HZ LYS 36 14.869 -0.427 -5.282 270 3HZ LYS 36 3HZ LYS 36 16.195 0.387 -4.784 271 H CYS 37 H CYS 37 12.406 1.093 -0.093 272 HA CYS 37 HA CYS 37 11.635 0.053 2.518 273 1HB CYS 37 1HB CYS 37 10.989 2.394 1.631 274 2HB CYS 37 2HB CYS 37 9.833 1.544 0.625 275 H CYS 38 H CYS 38 10.912 -2.046 2.555 276 HA CYS 38 HA CYS 38 9.700 -3.052 0.083 277 1HB CYS 38 1HB CYS 38 11.963 -4.008 1.084 278 2HB CYS 38 2HB CYS 38 10.866 -4.903 2.117 279 H LYS 39 H LYS 39 7.683 -4.133 0.295 280 HA LYS 39 HA LYS 39 6.599 -4.211 3.022 281 1HB LYS 39 1HB LYS 39 5.111 -2.655 2.472 282 2HB LYS 39 2HB LYS 39 5.748 -2.560 0.843 283 1HG LYS 39 1HG LYS 39 3.778 -4.711 1.747 284 2HG LYS 39 2HG LYS 39 3.280 -3.202 1.008 285 1HD LYS 39 1HD LYS 39 5.203 -4.051 -0.787 286 2HD LYS 39 2HD LYS 39 4.565 -5.587 -0.236 287 1HE LYS 39 1HE LYS 39 2.224 -4.731 -0.730 288 2HE LYS 39 2HE LYS 39 2.938 -3.278 -1.401 289 1HZ LYS 39 1HZ LYS 39 3.830 -4.443 -3.139 290 2HZ LYS 39 2HZ LYS 39 3.811 -5.884 -2.370 291 3HZ LYS 39 3HZ LYS 39 2.419 -5.238 -2.928 292 H LYS 40 H LYS 40 4.740 -5.779 3.229 293 HA LYS 40 HA LYS 40 5.535 -8.262 2.179 294 1HB LYS 40 1HB LYS 40 3.896 -9.168 3.544 295 2HB LYS 40 2HB LYS 40 4.309 -7.685 4.380 296 1HG LYS 40 1HG LYS 40 2.356 -6.634 2.919 297 2HG LYS 40 2HG LYS 40 1.844 -8.299 2.729 298 1HD LYS 40 1HD LYS 40 1.619 -8.594 5.137 299 2HD LYS 40 2HD LYS 40 2.405 -7.061 5.459 300 1HE LYS 40 1HE LYS 40 0.523 -5.809 4.905 301 2HE LYS 40 2HE LYS 40 -0.029 -6.960 3.704 302 1HZ LYS 40 1HZ LYS 40 -1.214 -8.025 5.224 303 2HZ LYS 40 2HZ LYS 40 -0.024 -8.023 6.342 304 3HZ LYS 40 3HZ LYS 40 -1.003 -6.725 6.190 305 HA PRO 41 HA PRO 41 3.447 -8.099 -1.616 306 1HB PRO 41 1HB PRO 41 3.851 -10.679 -2.421 307 2HB PRO 41 2HB PRO 41 5.046 -9.413 -2.625 308 1HG PRO 41 1HG PRO 41 5.006 -11.626 -0.665 309 2HG PRO 41 2HG PRO 41 6.356 -10.627 -1.165 310 1HD PRO 41 1HD PRO 41 4.877 -10.414 1.284 311 2HD PRO 41 2HD PRO 41 6.151 -9.344 0.731 Start of MODEL 18 1 H GLY 1 H GLY 1 1.884 0.000 0.829 2 1HA GLY 1 1HA GLY 1 2.546 0.971 -1.390 3 2HA GLY 1 2HA GLY 1 2.873 -0.739 -1.194 4 H ILE 2 H ILE 2 2.742 -0.168 -3.743 5 HA ILE 2 HA ILE 2 1.646 -0.318 -5.670 6 HB ILE 2 HB ILE 2 0.992 -2.593 -4.009 7 1HG1 ILE 2 1HG1 ILE 2 2.380 -1.980 -6.391 8 2HG1 ILE 2 2HG1 ILE 2 2.316 -3.509 -5.538 9 1HG2 ILE 2 1HG2 ILE 2 -0.901 -3.467 -5.161 10 2HG2 ILE 2 2HG2 ILE 2 -1.334 -1.840 -4.584 11 3HG2 ILE 2 3HG2 ILE 2 -0.925 -2.097 -6.298 12 1HD1 ILE 2 1HD1 ILE 2 1.583 -3.883 -7.830 13 2HD1 ILE 2 2HD1 ILE 2 0.166 -4.048 -6.765 14 3HD1 ILE 2 3HD1 ILE 2 0.398 -2.560 -7.713 15 H GLY 3 H GLY 3 -0.625 -0.298 -6.804 16 1HA GLY 3 1HA GLY 3 -2.353 1.535 -5.249 17 2HA GLY 3 2HA GLY 3 -2.027 1.696 -6.964 18 H ASP 4 H ASP 4 -2.616 -0.288 -8.374 19 HA ASP 4 HA ASP 4 -4.587 -2.005 -7.261 20 1HB ASP 4 1HB ASP 4 -5.695 -0.597 -9.626 21 2HB ASP 4 2HB ASP 4 -6.506 -1.117 -8.161 22 HD2 ASP 4 HD2 ASP 4 -6.962 1.398 -6.785 23 HA PRO 5 HA PRO 5 -3.643 -4.203 -10.970 24 1HB PRO 5 1HB PRO 5 -5.967 -4.917 -12.218 25 2HB PRO 5 2HB PRO 5 -5.351 -5.738 -10.798 26 1HG PRO 5 1HG PRO 5 -7.597 -3.827 -11.006 27 2HG PRO 5 2HG PRO 5 -7.237 -4.962 -9.720 28 1HD PRO 5 1HD PRO 5 -6.783 -2.130 -9.686 29 2HD PRO 5 2HD PRO 5 -6.319 -3.281 -8.449 30 H VAL 6 H VAL 6 -5.824 -1.583 -11.651 31 HA VAL 6 HA VAL 6 -4.808 -1.475 -14.376 32 HB VAL 6 HB VAL 6 -7.147 -0.448 -12.881 33 1HG1 VAL 6 1HG1 VAL 6 -7.537 1.274 -14.729 34 2HG1 VAL 6 2HG1 VAL 6 -6.337 1.693 -13.482 35 3HG1 VAL 6 3HG1 VAL 6 -5.798 1.131 -15.083 36 1HG2 VAL 6 1HG2 VAL 6 -6.545 -1.733 -15.520 37 2HG2 VAL 6 2HG2 VAL 6 -7.747 -2.170 -14.282 38 3HG2 VAL 6 3HG2 VAL 6 -8.039 -0.780 -15.354 39 H THR 7 H THR 7 -5.234 0.770 -11.542 40 HA THR 7 HA THR 7 -3.697 2.836 -12.503 41 HB THR 7 HB THR 7 -4.870 1.916 -9.988 42 HG1 THR 7 HG1 THR 7 -5.543 3.976 -10.424 43 1HG2 THR 7 1HG2 THR 7 -3.370 3.311 -8.519 44 2HG2 THR 7 2HG2 THR 7 -2.546 1.850 -9.116 45 3HG2 THR 7 3HG2 THR 7 -2.208 3.430 -9.862 46 H CYS 8 H CYS 8 -2.656 -0.261 -11.072 47 HA CYS 8 HA CYS 8 -0.073 0.364 -10.458 48 1HB CYS 8 1HB CYS 8 -0.898 -1.749 -9.843 49 2HB CYS 8 2HB CYS 8 -1.348 -2.161 -11.486 50 H LEU 9 H LEU 9 -1.673 -0.138 -13.610 51 HA LEU 9 HA LEU 9 0.715 -0.376 -15.110 52 1HB LEU 9 1HB LEU 9 -1.838 0.632 -16.283 53 2HB LEU 9 2HB LEU 9 -0.645 -0.458 -16.961 54 HG LEU 9 HG LEU 9 -2.255 -1.349 -14.589 55 1HD1 LEU 9 1HD1 LEU 9 -3.251 -1.167 -17.436 56 2HD1 LEU 9 2HD1 LEU 9 -3.925 -2.303 -16.243 57 3HD1 LEU 9 3HD1 LEU 9 -4.012 -0.549 -15.950 58 1HD2 LEU 9 1HD2 LEU 9 -1.845 -3.533 -15.407 59 2HD2 LEU 9 2HD2 LEU 9 -1.298 -2.922 -16.987 60 3HD2 LEU 9 3HD2 LEU 9 -0.304 -2.651 -15.535 61 H LYS 10 H LYS 10 -1.376 2.341 -14.054 62 HA LYS 10 HA LYS 10 -0.288 4.307 -15.673 63 1HB LYS 10 1HB LYS 10 -2.302 4.222 -13.911 64 2HB LYS 10 2HB LYS 10 -1.105 4.983 -12.882 65 1HG LYS 10 1HG LYS 10 -2.246 6.782 -13.990 66 2HG LYS 10 2HG LYS 10 -0.681 6.661 -14.771 67 1HD LYS 10 1HD LYS 10 -1.647 5.410 -16.651 68 2HD LYS 10 2HD LYS 10 -3.198 5.304 -15.842 69 1HE LYS 10 1HE LYS 10 -2.565 8.078 -15.873 70 2HE LYS 10 2HE LYS 10 -2.110 7.487 -17.459 71 1HZ LYS 10 1HZ LYS 10 -4.603 6.451 -16.570 72 2HZ LYS 10 2HZ LYS 10 -4.608 8.080 -16.676 73 3HZ LYS 10 3HZ LYS 10 -4.224 7.178 -17.982 74 H SER 11 H SER 11 1.020 2.602 -12.880 75 HA SER 11 HA SER 11 3.000 4.595 -12.401 76 1HB SER 11 1HB SER 11 1.931 2.856 -10.736 77 2HB SER 11 2HB SER 11 3.123 1.744 -11.379 78 HG SER 11 HG SER 11 3.528 4.160 -9.883 79 H GLY 12 H GLY 12 2.533 2.586 -14.953 80 1HA GLY 12 1HA GLY 12 4.071 2.295 -16.666 81 2HA GLY 12 2HA GLY 12 5.396 2.438 -15.528 82 H ALA 13 H ALA 13 2.930 0.459 -14.205 83 HA ALA 13 HA ALA 13 4.566 -1.832 -14.292 84 1HB ALA 13 1HB ALA 13 1.600 -1.638 -13.645 85 2HB ALA 13 2HB ALA 13 2.752 -2.873 -13.083 86 3HB ALA 13 3HB ALA 13 2.895 -1.195 -12.508 87 H ILE 14 H ILE 14 4.032 -3.934 -15.287 88 HA ILE 14 HA ILE 14 2.650 -3.524 -17.847 89 HB ILE 14 HB ILE 14 4.102 -5.564 -18.488 90 1HG1 ILE 14 1HG1 ILE 14 6.135 -4.541 -16.581 91 2HG1 ILE 14 2HG1 ILE 14 4.864 -5.527 -15.886 92 1HG2 ILE 14 1HG2 ILE 14 5.843 -3.183 -18.187 93 2HG2 ILE 14 2HG2 ILE 14 5.418 -4.130 -19.633 94 3HG2 ILE 14 3HG2 ILE 14 4.277 -2.923 -18.992 95 1HD1 ILE 14 1HD1 ILE 14 7.060 -6.298 -17.727 96 2HD1 ILE 14 2HD1 ILE 14 6.170 -7.284 -16.542 97 3HD1 ILE 14 3HD1 ILE 14 5.473 -6.983 -18.152 98 H CYS 15 H CYS 15 1.547 -5.515 -18.722 99 HA CYS 15 HA CYS 15 0.306 -6.915 -16.473 100 1HB CYS 15 1HB CYS 15 -0.711 -6.026 -19.147 101 2HB CYS 15 2HB CYS 15 -1.437 -7.421 -18.374 102 H HIS 16 H HIS 16 0.965 -9.022 -16.229 103 HA HIS 16 HA HIS 16 1.424 -10.584 -18.619 104 1HB HIS 16 1HB HIS 16 3.578 -11.462 -17.384 105 2HB HIS 16 2HB HIS 16 3.638 -10.077 -18.457 106 HD1 HIS 16 HD1 HIS 16 4.047 -11.072 -14.878 107 HD2 HIS 16 HD2 HIS 16 3.951 -7.544 -17.144 108 HE1 HIS 16 HE1 HIS 16 4.958 -9.228 -13.368 109 HE2 HIS 16 HE2 HIS 16 4.925 -7.095 -14.833 110 HA PRO 17 HA PRO 17 -0.813 -13.040 -15.721 111 1HB PRO 17 1HB PRO 17 -1.966 -14.707 -17.554 112 2HB PRO 17 2HB PRO 17 -2.680 -13.185 -17.060 113 1HG PRO 17 1HG PRO 17 -1.285 -13.847 -19.581 114 2HG PRO 17 2HG PRO 17 -2.357 -12.503 -19.240 115 1HD PRO 17 1HD PRO 17 0.504 -12.414 -19.420 116 2HD PRO 17 2HD PRO 17 -0.559 -11.097 -18.965 117 H VAL 18 H VAL 18 1.322 -13.641 -14.889 118 HA VAL 18 HA VAL 18 1.584 -16.368 -14.824 119 HB VAL 18 HB VAL 18 3.901 -16.229 -16.209 120 1HG1 VAL 18 1HG1 VAL 18 2.920 -18.004 -17.134 121 2HG1 VAL 18 2HG1 VAL 18 1.355 -17.477 -16.471 122 3HG1 VAL 18 3HG1 VAL 18 1.860 -16.942 -18.092 123 1HG2 VAL 18 1HG2 VAL 18 2.090 -14.860 -18.150 124 2HG2 VAL 18 2HG2 VAL 18 2.926 -13.853 -16.944 125 3HG2 VAL 18 3HG2 VAL 18 3.867 -14.878 -18.055 126 H PHE 19 H PHE 19 4.584 -14.639 -15.479 127 HA PHE 19 HA PHE 19 4.874 -14.185 -12.594 128 1HB PHE 19 1HB PHE 19 6.621 -15.499 -14.719 129 2HB PHE 19 2HB PHE 19 7.416 -14.688 -13.385 130 HD1 PHE 19 HD1 PHE 19 7.163 -15.536 -11.087 131 HD2 PHE 19 HD2 PHE 19 5.466 -17.584 -14.393 132 HE1 PHE 19 HE1 PHE 19 6.885 -17.590 -9.672 133 HE2 PHE 19 HE2 PHE 19 5.188 -19.638 -12.977 134 HZ PHE 19 HZ PHE 19 5.901 -19.616 -10.634 135 H CYS 20 H CYS 20 7.162 -12.826 -12.381 136 HA CYS 20 HA CYS 20 6.742 -10.544 -14.166 137 1HB CYS 20 1HB CYS 20 6.225 -9.809 -12.020 138 2HB CYS 20 2HB CYS 20 7.510 -10.738 -11.272 139 HA PRO 21 HA PRO 21 10.789 -12.001 -15.356 140 1HB PRO 21 1HB PRO 21 10.742 -11.012 -17.903 141 2HB PRO 21 2HB PRO 21 10.155 -12.609 -17.484 142 1HG PRO 21 1HG PRO 21 8.606 -10.175 -18.127 143 2HG PRO 21 2HG PRO 21 8.076 -11.845 -18.125 144 1HD PRO 21 1HD PRO 21 7.522 -9.867 -16.123 145 2HD PRO 21 2HD PRO 21 7.092 -11.565 -16.067 146 H ARG 22 H ARG 22 12.798 -10.921 -16.364 147 HA ARG 22 HA ARG 22 14.239 -9.312 -16.286 148 1HB ARG 22 1HB ARG 22 12.014 -7.264 -15.879 149 2HB ARG 22 2HB ARG 22 13.580 -7.000 -16.619 150 1HG ARG 22 1HG ARG 22 11.401 -8.816 -17.757 151 2HG ARG 22 2HG ARG 22 11.727 -7.183 -18.305 152 1HD ARG 22 1HD ARG 22 13.121 -8.198 -19.816 153 2HD ARG 22 2HD ARG 22 14.252 -8.273 -18.480 154 HE ARG 22 HE ARG 22 12.612 -10.550 -18.215 155 1HH1 ARG 22 1HH1 ARG 22 14.367 -12.731 -20.298 156 2HH1 ARG 22 2HH1 ARG 22 13.213 -12.605 -19.013 157 1HH2 ARG 22 1HH2 ARG 22 15.303 -10.812 -21.209 158 2HH2 ARG 22 2HH2 ARG 22 14.847 -9.255 -20.604 159 H ARG 23 H ARG 23 15.059 -7.362 -14.781 160 HA ARG 23 HA ARG 23 14.801 -8.351 -12.145 161 1HB ARG 23 1HB ARG 23 16.491 -6.363 -13.596 162 2HB ARG 23 2HB ARG 23 16.227 -5.986 -11.906 163 1HG ARG 23 1HG ARG 23 17.102 -8.161 -11.207 164 2HG ARG 23 2HG ARG 23 17.165 -8.727 -12.865 165 1HD ARG 23 1HD ARG 23 18.804 -6.402 -11.740 166 2HD ARG 23 2HD ARG 23 19.416 -8.019 -12.030 167 HE ARG 23 HE ARG 23 19.368 -7.623 -14.373 168 1HH1 ARG 23 1HH1 ARG 23 18.761 -4.605 -16.015 169 2HH1 ARG 23 2HH1 ARG 23 19.374 -6.217 -16.174 170 1HH2 ARG 23 1HH2 ARG 23 17.932 -3.874 -13.974 171 2HH2 ARG 23 2HH2 ARG 23 17.928 -4.941 -12.609 172 H TYR 24 H TYR 24 12.418 -7.039 -13.571 173 HA TYR 24 HA TYR 24 11.970 -4.521 -12.377 174 1HB TYR 24 1HB TYR 24 10.826 -6.348 -14.255 175 2HB TYR 24 2HB TYR 24 9.625 -6.252 -12.983 176 HD1 TYR 24 HD1 TYR 24 11.840 -3.436 -13.949 177 HD2 TYR 24 HD2 TYR 24 7.924 -5.133 -14.242 178 HE1 TYR 24 HE1 TYR 24 10.964 -1.263 -14.935 179 HE2 TYR 24 HE2 TYR 24 7.061 -2.954 -15.227 180 HH TYR 24 HH TYR 24 9.013 -0.648 -16.484 181 H LYS 25 H LYS 25 9.343 -4.753 -11.330 182 HA LYS 25 HA LYS 25 9.477 -6.642 -9.153 183 1HB LYS 25 1HB LYS 25 10.672 -4.188 -8.742 184 2HB LYS 25 2HB LYS 25 9.052 -3.918 -8.131 185 1HG LYS 25 1HG LYS 25 9.943 -4.850 -6.219 186 2HG LYS 25 2HG LYS 25 9.485 -6.345 -7.011 187 1HD LYS 25 1HD LYS 25 11.735 -6.703 -7.847 188 2HD LYS 25 2HD LYS 25 12.229 -5.079 -7.410 189 1HE LYS 25 1HE LYS 25 11.152 -6.668 -5.135 190 2HE LYS 25 2HE LYS 25 12.615 -7.330 -5.837 191 1HZ LYS 25 1HZ LYS 25 13.537 -5.831 -4.479 192 2HZ LYS 25 2HZ LYS 25 13.262 -4.787 -5.704 193 3HZ LYS 25 3HZ LYS 25 12.234 -4.847 -4.436 194 H GLN 26 H GLN 26 7.478 -7.495 -9.024 195 HA GLN 26 HA GLN 26 5.294 -5.741 -9.841 196 1HB GLN 26 1HB GLN 26 4.552 -7.397 -11.185 197 2HB GLN 26 2HB GLN 26 6.038 -8.263 -10.851 198 1HG GLN 26 1HG GLN 26 3.510 -8.443 -9.142 199 2HG GLN 26 2HG GLN 26 3.969 -9.616 -10.361 200 1HE2 GLN 26 1HE2 GLN 26 3.564 -10.419 -7.818 201 2HE2 GLN 26 2HE2 GLN 26 5.046 -10.880 -7.049 202 H ILE 27 H ILE 27 3.190 -6.077 -8.690 203 HA ILE 27 HA ILE 27 3.075 -7.636 -6.353 204 HB ILE 27 HB ILE 27 2.846 -5.340 -4.963 205 1HG1 ILE 27 1HG1 ILE 27 5.246 -4.845 -6.740 206 2HG1 ILE 27 2HG1 ILE 27 3.694 -4.071 -6.991 207 1HG2 ILE 27 1HG2 ILE 27 4.624 -7.570 -5.100 208 2HG2 ILE 27 2HG2 ILE 27 5.576 -6.106 -4.756 209 3HG2 ILE 27 3HG2 ILE 27 4.211 -6.548 -3.703 210 1HD1 ILE 27 1HD1 ILE 27 5.766 -3.453 -5.023 211 2HD1 ILE 27 2HD1 ILE 27 4.343 -2.494 -5.498 212 3HD1 ILE 27 3HD1 ILE 27 4.196 -3.736 -4.232 213 H GLY 28 H GLY 28 1.727 -6.575 -8.948 214 1HA GLY 28 1HA GLY 28 -0.905 -6.208 -7.693 215 2HA GLY 28 2HA GLY 28 -0.355 -5.040 -8.878 216 H THR 29 H THR 29 -2.314 -5.784 -10.109 217 HA THR 29 HA THR 29 -1.574 -8.068 -11.789 218 HB THR 29 HB THR 29 -3.374 -9.292 -11.086 219 HG1 THR 29 HG1 THR 29 -5.163 -8.366 -11.998 220 1HG2 THR 29 1HG2 THR 29 -3.883 -6.943 -9.183 221 2HG2 THR 29 2HG2 THR 29 -4.626 -8.555 -9.051 222 3HG2 THR 29 3HG2 THR 29 -2.872 -8.362 -8.818 223 H CYS 30 H CYS 30 -3.624 -8.071 -13.578 224 HA CYS 30 HA CYS 30 -3.090 -5.589 -14.926 225 1HB CYS 30 1HB CYS 30 -3.040 -7.900 -15.987 226 2HB CYS 30 2HB CYS 30 -4.791 -7.884 -15.904 227 H GLY 31 H GLY 31 -6.127 -7.552 -14.477 228 1HA GLY 31 1HA GLY 31 -7.506 -5.161 -13.493 229 2HA GLY 31 2HA GLY 31 -8.087 -5.894 -14.974 230 H LEU 32 H LEU 32 -9.602 -7.495 -14.805 231 HA LEU 32 HA LEU 32 -10.398 -8.345 -12.212 232 1HB LEU 32 1HB LEU 32 -12.292 -8.933 -13.216 233 2HB LEU 32 2HB LEU 32 -11.664 -7.994 -14.555 234 HG LEU 32 HG LEU 32 -10.731 -10.120 -15.525 235 1HD1 LEU 32 1HD1 LEU 32 -10.553 -11.833 -14.096 236 2HD1 LEU 32 2HD1 LEU 32 -11.804 -11.187 -13.007 237 3HD1 LEU 32 3HD1 LEU 32 -12.274 -12.114 -14.452 238 1HD2 LEU 32 1HD2 LEU 32 -12.806 -9.121 -16.344 239 2HD2 LEU 32 2HD2 LEU 32 -12.875 -10.899 -16.406 240 3HD2 LEU 32 3HD2 LEU 32 -13.733 -10.019 -15.118 241 HA PRO 33 HA PRO 33 -8.173 -12.229 -13.799 242 1HB PRO 33 1HB PRO 33 -6.067 -11.852 -15.500 243 2HB PRO 33 2HB PRO 33 -7.670 -12.307 -16.045 244 1HG PRO 33 1HG PRO 33 -6.329 -9.678 -16.222 245 2HG PRO 33 2HG PRO 33 -7.719 -10.264 -17.114 246 1HD PRO 33 1HD PRO 33 -7.744 -8.434 -14.906 247 2HD PRO 33 2HD PRO 33 -9.139 -9.109 -15.723 248 H GLY 34 H GLY 34 -6.384 -13.367 -12.881 249 1HA GLY 34 1HA GLY 34 -5.178 -11.791 -10.809 250 2HA GLY 34 2HA GLY 34 -4.962 -13.502 -11.120 251 H THR 35 H THR 35 -4.499 -11.007 -13.642 252 HA THR 35 HA THR 35 -2.050 -11.949 -14.474 253 HB THR 35 HB THR 35 -2.292 -9.080 -14.884 254 HG1 THR 35 HG1 THR 35 -4.486 -9.167 -14.367 255 1HG2 THR 35 1HG2 THR 35 -1.705 -11.205 -16.477 256 2HG2 THR 35 2HG2 THR 35 -3.443 -11.062 -16.836 257 3HG2 THR 35 3HG2 THR 35 -2.355 -9.685 -17.137 258 H LYS 36 H LYS 36 0.043 -10.544 -14.497 259 HA LYS 36 HA LYS 36 0.582 -9.871 -11.689 260 1HB LYS 36 1HB LYS 36 2.445 -11.022 -13.788 261 2HB LYS 36 2HB LYS 36 2.919 -10.547 -12.169 262 1HG LYS 36 1HG LYS 36 0.966 -12.755 -12.947 263 2HG LYS 36 2HG LYS 36 2.510 -12.941 -12.140 264 1HD LYS 36 1HD LYS 36 0.550 -11.142 -10.769 265 2HD LYS 36 2HD LYS 36 0.106 -12.836 -10.825 266 1HE LYS 36 1HE LYS 36 2.942 -12.497 -10.118 267 2HE LYS 36 2HE LYS 36 1.900 -11.628 -9.009 268 1HZ LYS 36 1HZ LYS 36 0.743 -14.092 -9.482 269 2HZ LYS 36 2HZ LYS 36 2.323 -14.368 -9.173 270 3HZ LYS 36 3HZ LYS 36 1.410 -13.550 -8.093 271 H CYS 37 H CYS 37 0.854 -7.746 -11.307 272 HA CYS 37 HA CYS 37 1.497 -6.066 -13.594 273 1HB CYS 37 1HB CYS 37 -0.476 -5.714 -11.906 274 2HB CYS 37 2HB CYS 37 0.763 -5.016 -10.883 275 H CYS 38 H CYS 38 3.697 -5.832 -13.883 276 HA CYS 38 HA CYS 38 5.298 -5.545 -11.445 277 1HB CYS 38 1HB CYS 38 5.636 -7.535 -13.135 278 2HB CYS 38 2HB CYS 38 6.499 -6.332 -14.073 279 H LYS 39 H LYS 39 6.521 -3.649 -11.258 280 HA LYS 39 HA LYS 39 6.584 -1.914 -13.622 281 1HB LYS 39 1HB LYS 39 5.968 -0.005 -12.343 282 2HB LYS 39 2HB LYS 39 4.765 -1.241 -12.035 283 1HG LYS 39 1HG LYS 39 7.132 -1.172 -10.183 284 2HG LYS 39 2HG LYS 39 5.988 0.148 -10.046 285 1HD LYS 39 1HD LYS 39 4.138 -1.397 -9.639 286 2HD LYS 39 2HD LYS 39 5.140 -2.783 -10.021 287 1HE LYS 39 1HE LYS 39 5.315 -0.960 -7.593 288 2HE LYS 39 2HE LYS 39 5.061 -2.694 -7.624 289 1HZ LYS 39 1HZ LYS 39 7.259 -2.585 -7.176 290 2HZ LYS 39 2HZ LYS 39 7.359 -2.630 -8.805 291 3HZ LYS 39 3HZ LYS 39 7.517 -1.209 -8.016 292 H LYS 40 H LYS 40 8.190 0.069 -12.942 293 HA LYS 40 HA LYS 40 10.700 -1.180 -12.701 294 1HB LYS 40 1HB LYS 40 10.432 0.801 -14.040 295 2HB LYS 40 2HB LYS 40 9.838 1.723 -12.674 296 1HG LYS 40 1HG LYS 40 12.168 1.006 -11.573 297 2HG LYS 40 2HG LYS 40 12.652 0.774 -13.242 298 1HD LYS 40 1HD LYS 40 12.112 3.095 -13.798 299 2HD LYS 40 2HD LYS 40 11.369 3.353 -12.232 300 1HE LYS 40 1HE LYS 40 13.567 2.990 -11.111 301 2HE LYS 40 2HE LYS 40 14.320 2.679 -12.663 302 1HZ LYS 40 1HZ LYS 40 13.081 5.198 -11.802 303 2HZ LYS 40 2HZ LYS 40 14.668 4.927 -12.081 304 3HZ LYS 40 3HZ LYS 40 13.608 4.923 -13.324 305 HA PRO 41 HA PRO 41 11.028 -1.263 -8.384 306 1HB PRO 41 1HB PRO 41 13.669 -1.932 -8.166 307 2HB PRO 41 2HB PRO 41 12.404 -3.108 -8.462 308 1HG PRO 41 1HG PRO 41 14.395 -2.013 -10.353 309 2HG PRO 41 2HG PRO 41 13.423 -3.464 -10.500 310 1HD PRO 41 1HD PRO 41 12.986 -0.961 -11.832 311 2HD PRO 41 2HD PRO 41 11.950 -2.374 -11.889 Start of MODEL 19 1 H GLY 1 H GLY 1 1.884 0.000 0.829 2 1HA GLY 1 1HA GLY 1 1.799 -0.872 -1.839 3 2HA GLY 1 2HA GLY 1 1.810 0.880 -1.832 4 H ILE 2 H ILE 2 3.979 0.355 -2.966 5 HA ILE 2 HA ILE 2 6.161 -0.680 -2.440 6 HB ILE 2 HB ILE 2 5.680 2.259 -2.560 7 1HG1 ILE 2 1HG1 ILE 2 6.668 0.083 -4.352 8 2HG1 ILE 2 2HG1 ILE 2 5.508 1.359 -4.666 9 1HG2 ILE 2 1HG2 ILE 2 8.453 1.070 -2.296 10 2HG2 ILE 2 2HG2 ILE 2 8.028 2.781 -2.542 11 3HG2 ILE 2 3HG2 ILE 2 7.606 1.969 -1.015 12 1HD1 ILE 2 1HD1 ILE 2 7.539 2.993 -4.420 13 2HD1 ILE 2 2HD1 ILE 2 8.537 1.533 -4.623 14 3HD1 ILE 2 3HD1 ILE 2 7.409 2.027 -5.909 15 H GLY 3 H GLY 3 6.622 -1.853 -0.622 16 1HA GLY 3 1HA GLY 3 6.990 -0.293 1.865 17 2HA GLY 3 2HA GLY 3 6.276 -1.893 1.839 18 H ASP 4 H ASP 4 7.660 -3.681 0.755 19 HA ASP 4 HA ASP 4 10.453 -3.154 0.704 20 1HB ASP 4 1HB ASP 4 9.898 -5.413 2.537 21 2HB ASP 4 2HB ASP 4 11.119 -4.161 2.656 22 HD2 ASP 4 HD2 ASP 4 9.260 -4.791 5.108 23 HA PRO 5 HA PRO 5 10.352 -6.993 -1.478 24 1HB PRO 5 1HB PRO 5 12.211 -8.700 -0.431 25 2HB PRO 5 2HB PRO 5 12.625 -7.358 -1.478 26 1HG PRO 5 1HG PRO 5 12.968 -7.600 1.448 27 2HG PRO 5 2HG PRO 5 13.741 -6.483 0.341 28 1HD PRO 5 1HD PRO 5 11.586 -5.900 2.141 29 2HD PRO 5 2HD PRO 5 12.281 -4.816 0.952 30 H VAL 6 H VAL 6 9.802 -7.348 1.882 31 HA VAL 6 HA VAL 6 8.568 -9.948 1.431 32 HB VAL 6 HB VAL 6 9.575 -8.394 3.757 33 1HG1 VAL 6 1HG1 VAL 6 8.313 -9.856 5.337 34 2HG1 VAL 6 2HG1 VAL 6 7.279 -8.712 4.449 35 3HG1 VAL 6 3HG1 VAL 6 7.328 -10.425 3.969 36 1HG2 VAL 6 1HG2 VAL 6 10.677 -10.399 4.312 37 2HG2 VAL 6 2HG2 VAL 6 9.565 -11.387 3.335 38 3HG2 VAL 6 3HG2 VAL 6 10.749 -10.326 2.535 39 H THR 7 H THR 7 7.721 -6.793 3.038 40 HA THR 7 HA THR 7 4.991 -7.298 3.180 41 HB THR 7 HB THR 7 6.895 -5.110 3.606 42 HG1 THR 7 HG1 THR 7 4.134 -5.699 4.417 43 1HG2 THR 7 1HG2 THR 7 4.078 -4.403 2.626 44 2HG2 THR 7 2HG2 THR 7 5.213 -3.275 3.407 45 3HG2 THR 7 3HG2 THR 7 5.592 -3.953 1.805 46 H CYS 8 H CYS 8 7.013 -6.306 0.456 47 HA CYS 8 HA CYS 8 5.268 -5.061 -1.166 48 1HB CYS 8 1HB CYS 8 7.239 -5.217 -2.221 49 2HB CYS 8 2HB CYS 8 7.608 -6.792 -1.547 50 H LEU 9 H LEU 9 5.237 -8.412 -0.024 51 HA LEU 9 HA LEU 9 3.306 -9.240 -2.001 52 1HB LEU 9 1HB LEU 9 3.872 -10.903 0.381 53 2HB LEU 9 2HB LEU 9 3.702 -11.354 -1.304 54 HG LEU 9 HG LEU 9 6.111 -9.754 -0.609 55 1HD1 LEU 9 1HD1 LEU 9 7.290 -11.391 0.518 56 2HD1 LEU 9 2HD1 LEU 9 5.674 -11.520 1.253 57 3HD1 LEU 9 3HD1 LEU 9 6.184 -12.691 0.013 58 1HD2 LEU 9 1HD2 LEU 9 7.102 -11.592 -2.133 59 2HD2 LEU 9 2HD2 LEU 9 5.405 -11.998 -2.486 60 3HD2 LEU 9 3HD2 LEU 9 6.024 -10.369 -2.849 61 H LYS 10 H LYS 10 3.444 -8.293 1.463 62 HA LYS 10 HA LYS 10 0.643 -8.830 1.810 63 1HB LYS 10 1HB LYS 10 2.830 -8.691 3.492 64 2HB LYS 10 2HB LYS 10 1.999 -7.188 3.837 65 1HG LYS 10 1HG LYS 10 1.057 -8.843 5.316 66 2HG LYS 10 2HG LYS 10 -0.158 -8.521 4.096 67 1HD LYS 10 1HD LYS 10 0.445 -10.552 2.862 68 2HD LYS 10 2HD LYS 10 1.828 -10.831 3.901 69 1HE LYS 10 1HE LYS 10 0.008 -10.817 5.847 70 2HE LYS 10 2HE LYS 10 -1.114 -11.148 4.543 71 1HZ LYS 10 1HZ LYS 10 0.298 -13.004 5.794 72 2HZ LYS 10 2HZ LYS 10 -0.290 -13.186 4.281 73 3HZ LYS 10 3HZ LYS 10 1.266 -12.742 4.505 74 H SER 11 H SER 11 2.229 -6.582 0.013 75 HA SER 11 HA SER 11 0.163 -4.611 0.594 76 1HB SER 11 1HB SER 11 2.853 -4.191 1.056 77 2HB SER 11 2HB SER 11 2.695 -3.579 -0.579 78 HG SER 11 HG SER 11 2.285 -1.894 0.945 79 H GLY 12 H GLY 12 2.535 -5.946 -1.796 80 1HA GLY 12 1HA GLY 12 0.842 -4.948 -3.988 81 2HA GLY 12 2HA GLY 12 2.516 -5.453 -4.104 82 H ALA 13 H ALA 13 3.051 -7.779 -3.911 83 HA ALA 13 HA ALA 13 1.207 -9.795 -3.619 84 1HB ALA 13 1HB ALA 13 1.029 -8.438 -6.207 85 2HB ALA 13 2HB ALA 13 1.401 -10.169 -6.382 86 3HB ALA 13 3HB ALA 13 -0.049 -9.657 -5.486 87 H ILE 14 H ILE 14 3.286 -9.651 -6.530 88 HA ILE 14 HA ILE 14 5.157 -11.411 -5.110 89 HB ILE 14 HB ILE 14 5.765 -12.151 -7.439 90 1HG1 ILE 14 1HG1 ILE 14 3.112 -11.133 -8.375 91 2HG1 ILE 14 2HG1 ILE 14 4.466 -10.020 -8.365 92 1HG2 ILE 14 1HG2 ILE 14 4.357 -13.448 -5.861 93 2HG2 ILE 14 2HG2 ILE 14 2.912 -12.694 -6.577 94 3HG2 ILE 14 3HG2 ILE 14 3.956 -13.737 -7.571 95 1HD1 ILE 14 1HD1 ILE 14 4.699 -10.966 -10.487 96 2HD1 ILE 14 2HD1 ILE 14 5.753 -12.040 -9.536 97 3HD1 ILE 14 3HD1 ILE 14 4.102 -12.557 -9.957 98 H CYS 15 H CYS 15 7.481 -11.203 -5.782 99 HA CYS 15 HA CYS 15 8.047 -8.384 -6.352 100 1HB CYS 15 1HB CYS 15 9.465 -10.355 -4.562 101 2HB CYS 15 2HB CYS 15 10.232 -8.884 -5.127 102 H HIS 16 H HIS 16 8.855 -8.150 -8.408 103 HA HIS 16 HA HIS 16 10.828 -10.074 -9.297 104 1HB HIS 16 1HB HIS 16 9.607 -10.071 -11.584 105 2HB HIS 16 2HB HIS 16 9.076 -11.161 -10.319 106 HD1 HIS 16 HD1 HIS 16 7.961 -8.279 -12.398 107 HD2 HIS 16 HD2 HIS 16 6.584 -10.420 -9.063 108 HE1 HIS 16 HE1 HIS 16 5.506 -7.645 -12.105 109 HE2 HIS 16 HE2 HIS 16 4.701 -9.033 -10.075 110 HA PRO 17 HA PRO 17 12.501 -6.288 -10.609 111 1HB PRO 17 1HB PRO 17 14.754 -7.231 -11.834 112 2HB PRO 17 2HB PRO 17 14.637 -6.981 -10.104 113 1HG PRO 17 1HG PRO 17 14.578 -9.519 -11.619 114 2HG PRO 17 2HG PRO 17 14.888 -9.266 -9.912 115 1HD PRO 17 1HD PRO 17 12.459 -10.235 -11.090 116 2HD PRO 17 2HD PRO 17 12.731 -9.872 -9.397 117 H VAL 18 H VAL 18 12.792 -4.892 -12.402 118 HA VAL 18 HA VAL 18 12.535 -4.280 -14.522 119 HB VAL 18 HB VAL 18 13.010 -5.695 -16.216 120 1HG1 VAL 18 1HG1 VAL 18 14.378 -6.261 -13.943 121 2HG1 VAL 18 2HG1 VAL 18 13.744 -7.876 -14.343 122 3HG1 VAL 18 3HG1 VAL 18 14.736 -6.991 -15.527 123 1HG2 VAL 18 1HG2 VAL 18 11.335 -7.095 -16.738 124 2HG2 VAL 18 2HG2 VAL 18 12.192 -8.296 -15.743 125 3HG2 VAL 18 3HG2 VAL 18 10.879 -7.326 -15.033 126 H PHE 19 H PHE 19 10.710 -5.084 -16.510 127 HA PHE 19 HA PHE 19 8.386 -3.984 -15.683 128 1HB PHE 19 1HB PHE 19 7.442 -5.412 -17.654 129 2HB PHE 19 2HB PHE 19 8.834 -4.416 -18.033 130 HD1 PHE 19 HD1 PHE 19 8.051 -7.865 -16.831 131 HD2 PHE 19 HD2 PHE 19 10.597 -5.391 -19.156 132 HE1 PHE 19 HE1 PHE 19 9.284 -9.896 -17.641 133 HE2 PHE 19 HE2 PHE 19 11.830 -7.422 -19.967 134 HZ PHE 19 HZ PHE 19 11.159 -9.650 -19.199 135 H CYS 20 H CYS 20 6.132 -5.315 -15.895 136 HA CYS 20 HA CYS 20 6.357 -7.411 -13.864 137 1HB CYS 20 1HB CYS 20 5.048 -5.896 -12.808 138 2HB CYS 20 2HB CYS 20 4.441 -5.196 -14.296 139 HA PRO 21 HA PRO 21 5.020 -9.846 -17.302 140 1HB PRO 21 1HB PRO 21 5.515 -12.292 -16.188 141 2HB PRO 21 2HB PRO 21 6.730 -11.367 -17.048 142 1HG PRO 21 1HG PRO 21 6.434 -11.783 -14.137 143 2HG PRO 21 2HG PRO 21 7.840 -11.240 -15.031 144 1HD PRO 21 1HD PRO 21 6.063 -9.615 -13.472 145 2HD PRO 21 2HD PRO 21 7.399 -9.057 -14.459 146 H ARG 22 H ARG 22 3.462 -11.722 -17.713 147 HA ARG 22 HA ARG 22 1.486 -12.566 -17.464 148 1HB ARG 22 1HB ARG 22 1.418 -11.717 -14.534 149 2HB ARG 22 2HB ARG 22 0.570 -13.061 -15.274 150 1HG ARG 22 1HG ARG 22 3.609 -12.836 -15.029 151 2HG ARG 22 2HG ARG 22 2.588 -13.791 -13.972 152 1HD ARG 22 1HD ARG 22 3.030 -15.486 -15.456 153 2HD ARG 22 2HD ARG 22 1.763 -14.745 -16.413 154 HE ARG 22 HE ARG 22 4.140 -13.363 -17.062 155 1HH1 ARG 22 1HH1 ARG 22 5.270 -15.444 -19.625 156 2HH1 ARG 22 2HH1 ARG 22 5.387 -13.871 -18.908 157 1HH2 ARG 22 1HH2 ARG 22 3.847 -17.033 -18.711 158 2HH2 ARG 22 2HH2 ARG 22 2.902 -16.647 -17.312 159 H ARG 23 H ARG 23 -0.928 -11.936 -16.789 160 HA ARG 23 HA ARG 23 -1.326 -9.361 -17.782 161 1HB ARG 23 1HB ARG 23 -2.986 -11.659 -16.896 162 2HB ARG 23 2HB ARG 23 -3.760 -10.111 -16.623 163 1HG ARG 23 1HG ARG 23 -3.481 -9.489 -18.987 164 2HG ARG 23 2HG ARG 23 -2.529 -10.928 -19.296 165 1HD ARG 23 1HD ARG 23 -5.360 -11.155 -18.206 166 2HD ARG 23 2HD ARG 23 -5.081 -10.948 -19.924 167 HE ARG 23 HE ARG 23 -3.456 -13.085 -18.756 168 1HH1 ARG 23 1HH1 ARG 23 -5.389 -15.605 -20.202 169 2HH1 ARG 23 2HH1 ARG 23 -3.904 -15.234 -19.392 170 1HH2 ARG 23 1HH2 ARG 23 -6.924 -13.921 -20.642 171 2HH2 ARG 23 2HH2 ARG 23 -6.584 -12.292 -20.161 172 H TYR 24 H TYR 24 0.048 -9.988 -14.965 173 HA TYR 24 HA TYR 24 -1.634 -8.711 -13.067 174 1HB TYR 24 1HB TYR 24 0.891 -10.120 -13.316 175 2HB TYR 24 2HB TYR 24 1.262 -8.581 -12.565 176 HD1 TYR 24 HD1 TYR 24 1.974 -9.771 -10.517 177 HD2 TYR 24 HD2 TYR 24 -2.038 -10.049 -11.976 178 HE1 TYR 24 HE1 TYR 24 1.213 -10.688 -8.271 179 HE2 TYR 24 HE2 TYR 24 -2.785 -10.965 -9.725 180 HH TYR 24 HH TYR 24 -0.422 -11.626 -7.174 181 H LYS 25 H LYS 25 -0.936 -6.693 -11.853 182 HA LYS 25 HA LYS 25 0.646 -4.828 -13.366 183 1HB LYS 25 1HB LYS 25 -2.214 -4.900 -13.712 184 2HB LYS 25 2HB LYS 25 -1.768 -3.409 -12.908 185 1HG LYS 25 1HG LYS 25 -0.122 -2.890 -14.668 186 2HG LYS 25 2HG LYS 25 -0.393 -4.444 -15.432 187 1HD LYS 25 1HD LYS 25 -2.451 -3.815 -16.322 188 2HD LYS 25 2HD LYS 25 -2.818 -2.726 -15.000 189 1HE LYS 25 1HE LYS 25 -2.391 -1.266 -16.826 190 2HE LYS 25 2HE LYS 25 -0.899 -1.226 -15.909 191 1HZ LYS 25 1HZ LYS 25 -0.837 -3.345 -17.738 192 2HZ LYS 25 2HZ LYS 25 -1.208 -1.964 -18.526 193 3HZ LYS 25 3HZ LYS 25 0.157 -2.054 -17.635 194 H GLN 26 H GLN 26 1.065 -2.836 -12.108 195 HA GLN 26 HA GLN 26 0.072 -2.290 -9.664 196 1HB GLN 26 1HB GLN 26 0.820 -4.552 -8.948 197 2HB GLN 26 2HB GLN 26 2.467 -4.163 -9.403 198 1HG GLN 26 1HG GLN 26 1.733 -3.879 -6.891 199 2HG GLN 26 2HG GLN 26 2.760 -2.660 -7.620 200 1HE2 GLN 26 1HE2 GLN 26 0.055 -3.183 -5.824 201 2HE2 GLN 26 2HE2 GLN 26 -0.795 -1.692 -6.052 202 H ILE 27 H ILE 27 3.593 -2.900 -10.197 203 HA ILE 27 HA ILE 27 5.208 -1.507 -10.899 204 HB ILE 27 HB ILE 27 3.276 0.801 -10.914 205 1HG1 ILE 27 1HG1 ILE 27 3.738 -0.418 -13.518 206 2HG1 ILE 27 2HG1 ILE 27 2.956 -1.538 -12.420 207 1HG2 ILE 27 1HG2 ILE 27 5.641 0.387 -12.727 208 2HG2 ILE 27 2HG2 ILE 27 4.815 1.895 -12.267 209 3HG2 ILE 27 3HG2 ILE 27 5.846 1.050 -11.087 210 1HD1 ILE 27 1HD1 ILE 27 1.001 -0.369 -12.442 211 2HD1 ILE 27 2HD1 ILE 27 1.837 1.188 -12.230 212 3HD1 ILE 27 3HD1 ILE 27 1.677 0.478 -13.854 213 H GLY 28 H GLY 28 5.163 -2.352 -8.404 214 1HA GLY 28 1HA GLY 28 5.775 0.067 -6.826 215 2HA GLY 28 2HA GLY 28 4.799 -1.226 -6.158 216 H THR 29 H THR 29 7.905 0.000 -6.279 217 HA THR 29 HA THR 29 9.644 -2.024 -6.730 218 HB THR 29 HB THR 29 9.893 -0.275 -4.258 219 HG1 THR 29 HG1 THR 29 10.125 0.479 -7.083 220 1HG2 THR 29 1HG2 THR 29 12.064 -0.939 -4.619 221 2HG2 THR 29 2HG2 THR 29 11.676 -1.582 -6.233 222 3HG2 THR 29 3HG2 THR 29 12.023 0.151 -6.025 223 H CYS 30 H CYS 30 11.007 -2.965 -4.620 224 HA CYS 30 HA CYS 30 9.075 -4.261 -2.885 225 1HB CYS 30 1HB CYS 30 10.261 -5.561 -5.143 226 2HB CYS 30 2HB CYS 30 10.924 -6.270 -3.684 227 H GLY 31 H GLY 31 12.451 -5.252 -3.613 228 1HA GLY 31 1HA GLY 31 13.377 -3.855 -1.187 229 2HA GLY 31 2HA GLY 31 13.641 -5.577 -1.375 230 H LEU 32 H LEU 32 14.695 -6.250 -3.580 231 HA LEU 32 HA LEU 32 17.207 -5.279 -3.736 232 1HB LEU 32 1HB LEU 32 17.474 -6.606 -5.562 233 2HB LEU 32 2HB LEU 32 16.037 -7.305 -4.844 234 HG LEU 32 HG LEU 32 14.927 -5.480 -6.555 235 1HD1 LEU 32 1HD1 LEU 32 16.104 -5.798 -8.737 236 2HD1 LEU 32 2HD1 LEU 32 16.985 -4.791 -7.563 237 3HD1 LEU 32 3HD1 LEU 32 17.481 -6.478 -7.838 238 1HD2 LEU 32 1HD2 LEU 32 14.209 -7.782 -6.282 239 2HD2 LEU 32 2HD2 LEU 32 14.437 -7.409 -8.007 240 3HD2 LEU 32 3HD2 LEU 32 15.660 -8.363 -7.134 241 HA PRO 33 HA PRO 33 17.164 -1.536 -5.891 242 1HB PRO 33 1HB PRO 33 19.276 -1.673 -7.620 243 2HB PRO 33 2HB PRO 33 19.460 -1.358 -5.906 244 1HG PRO 33 1HG PRO 33 20.021 -3.844 -7.404 245 2HG PRO 33 2HG PRO 33 20.583 -3.370 -5.813 246 1HD PRO 33 1HD PRO 33 18.497 -5.247 -6.408 247 2HD PRO 33 2HD PRO 33 18.980 -4.686 -4.820 248 H GLY 34 H GLY 34 15.440 -0.927 -7.033 249 1HA GLY 34 1HA GLY 34 14.340 -0.502 -8.979 250 2HA GLY 34 2HA GLY 34 15.527 -1.435 -9.869 251 H THR 35 H THR 35 13.381 -2.329 -7.076 252 HA THR 35 HA THR 35 12.717 -4.808 -8.366 253 HB THR 35 HB THR 35 11.096 -4.233 -6.049 254 HG1 THR 35 HG1 THR 35 13.961 -3.680 -5.811 255 1HG2 THR 35 1HG2 THR 35 11.903 -6.329 -5.632 256 2HG2 THR 35 2HG2 THR 35 13.121 -6.144 -6.916 257 3HG2 THR 35 3HG2 THR 35 13.483 -5.597 -5.261 258 H LYS 36 H LYS 36 10.486 -5.547 -8.741 259 HA LYS 36 HA LYS 36 8.652 -3.354 -9.328 260 1HB LYS 36 1HB LYS 36 9.773 -5.320 -11.316 261 2HB LYS 36 2HB LYS 36 8.166 -4.656 -11.533 262 1HG LYS 36 1HG LYS 36 10.813 -3.168 -11.441 263 2HG LYS 36 2HG LYS 36 9.618 -3.172 -12.723 264 1HD LYS 36 1HD LYS 36 9.023 -2.062 -9.946 265 2HD LYS 36 2HD LYS 36 9.696 -1.071 -11.225 266 1HE LYS 36 1HE LYS 36 7.105 -2.661 -11.525 267 2HE LYS 36 2HE LYS 36 7.151 -0.985 -11.016 268 1HZ LYS 36 1HZ LYS 36 7.088 -1.821 -13.556 269 2HZ LYS 36 2HZ LYS 36 7.557 -0.331 -13.080 270 3HZ LYS 36 3HZ LYS 36 8.676 -1.486 -13.368 271 H CYS 37 H CYS 37 7.201 -3.887 -7.722 272 HA CYS 37 HA CYS 37 6.468 -6.664 -7.424 273 1HB CYS 37 1HB CYS 37 6.861 -4.996 -5.514 274 2HB CYS 37 2HB CYS 37 5.295 -4.326 -5.928 275 H CYS 38 H CYS 38 4.526 -7.537 -8.186 276 HA CYS 38 HA CYS 38 2.637 -5.633 -9.353 277 1HB CYS 38 1HB CYS 38 4.237 -6.977 -10.973 278 2HB CYS 38 2HB CYS 38 3.091 -8.272 -10.685 279 H LYS 39 H LYS 39 0.397 -6.383 -9.259 280 HA LYS 39 HA LYS 39 -0.034 -8.864 -7.796 281 1HB LYS 39 1HB LYS 39 -1.032 -7.952 -5.965 282 2HB LYS 39 2HB LYS 39 0.133 -6.686 -6.295 283 1HG LYS 39 1HG LYS 39 -2.553 -6.523 -7.662 284 2HG LYS 39 2HG LYS 39 -2.478 -6.143 -5.953 285 1HD LYS 39 1HD LYS 39 -1.515 -4.125 -6.360 286 2HD LYS 39 2HD LYS 39 -0.267 -4.849 -7.353 287 1HE LYS 39 1HE LYS 39 -1.327 -3.568 -8.976 288 2HE LYS 39 2HE LYS 39 -2.256 -5.045 -9.142 289 1HZ LYS 39 1HZ LYS 39 -3.073 -2.918 -7.302 290 2HZ LYS 39 2HZ LYS 39 -3.535 -2.930 -8.868 291 3HZ LYS 39 3HZ LYS 39 -3.975 -4.151 -7.878 292 H LYS 40 H LYS 40 -2.656 -9.054 -7.594 293 HA LYS 40 HA LYS 40 -3.506 -9.237 -10.274 294 1HB LYS 40 1HB LYS 40 -5.348 -10.356 -9.430 295 2HB LYS 40 2HB LYS 40 -4.132 -10.667 -8.208 296 1HG LYS 40 1HG LYS 40 -5.153 -8.352 -7.203 297 2HG LYS 40 2HG LYS 40 -6.569 -8.917 -8.067 298 1HD LYS 40 1HD LYS 40 -6.952 -10.071 -6.112 299 2HD LYS 40 2HD LYS 40 -5.881 -11.247 -6.850 300 1HE LYS 40 1HE LYS 40 -3.950 -9.849 -5.713 301 2HE LYS 40 2HE LYS 40 -5.230 -9.185 -4.718 302 1HZ LYS 40 1HZ LYS 40 -5.261 -11.039 -3.559 303 2HZ LYS 40 2HZ LYS 40 -5.493 -11.969 -4.882 304 3HZ LYS 40 3HZ LYS 40 -3.977 -11.597 -4.401 305 HA PRO 41 HA PRO 41 -5.122 -5.248 -10.750 306 1HB PRO 41 1HB PRO 41 -6.453 -5.602 -13.111 307 2HB PRO 41 2HB PRO 41 -4.730 -5.293 -13.019 308 1HG PRO 41 1HG PRO 41 -6.129 -7.833 -13.593 309 2HG PRO 41 2HG PRO 41 -4.460 -7.404 -13.908 310 1HD PRO 41 1HD PRO 41 -5.432 -9.075 -11.788 311 2HD PRO 41 2HD PRO 41 -3.778 -8.551 -12.036 Start of MODEL 20 1 H GLY 1 H GLY 1 1.884 0.000 0.829 2 1HA GLY 1 1HA GLY 1 1.427 -0.323 -2.062 3 2HA GLY 1 2HA GLY 1 2.399 1.014 -1.478 4 H ILE 2 H ILE 2 4.023 -0.209 -2.940 5 HA ILE 2 HA ILE 2 5.110 -2.535 -2.796 6 HB ILE 2 HB ILE 2 6.321 0.164 -2.793 7 1HG1 ILE 2 1HG1 ILE 2 5.784 -2.039 -4.642 8 2HG1 ILE 2 2HG1 ILE 2 5.953 -0.322 -4.949 9 1HG2 ILE 2 1HG2 ILE 2 7.845 -0.997 -1.284 10 2HG2 ILE 2 2HG2 ILE 2 8.009 -2.330 -2.452 11 3HG2 ILE 2 3HG2 ILE 2 8.611 -0.707 -2.864 12 1HD1 ILE 2 1HD1 ILE 2 8.415 -0.509 -4.883 13 2HD1 ILE 2 2HD1 ILE 2 8.284 -2.237 -4.476 14 3HD1 ILE 2 3HD1 ILE 2 7.742 -1.654 -6.068 15 H GLY 3 H GLY 3 5.825 -4.053 -1.379 16 1HA GLY 3 1HA GLY 3 7.344 -4.041 0.727 17 2HA GLY 3 2HA GLY 3 5.950 -3.261 1.446 18 H ASP 4 H ASP 4 6.925 -6.193 -0.447 19 HA ASP 4 HA ASP 4 4.993 -7.653 1.159 20 1HB ASP 4 1HB ASP 4 5.376 -8.749 -1.556 21 2HB ASP 4 2HB ASP 4 3.892 -8.516 -0.653 22 HD2 ASP 4 HD2 ASP 4 3.065 -7.194 -3.113 23 HA PRO 5 HA PRO 5 8.125 -10.759 1.146 24 1HB PRO 5 1HB PRO 5 7.039 -13.119 0.297 25 2HB PRO 5 2HB PRO 5 6.779 -12.467 1.903 26 1HG PRO 5 1HG PRO 5 4.921 -12.529 -0.395 27 2HG PRO 5 2HG PRO 5 4.560 -12.282 1.302 28 1HD PRO 5 1HD PRO 5 4.659 -10.272 -0.741 29 2HD PRO 5 2HD PRO 5 4.414 -10.012 0.974 30 H VAL 6 H VAL 6 6.904 -9.870 -1.813 31 HA VAL 6 HA VAL 6 9.204 -11.159 -3.115 32 HB VAL 6 HB VAL 6 6.354 -10.894 -3.866 33 1HG1 VAL 6 1HG1 VAL 6 8.606 -10.277 -5.767 34 2HG1 VAL 6 2HG1 VAL 6 7.140 -11.104 -6.349 35 3HG1 VAL 6 3HG1 VAL 6 7.016 -9.494 -5.599 36 1HG2 VAL 6 1HG2 VAL 6 6.560 -13.096 -4.221 37 2HG2 VAL 6 2HG2 VAL 6 7.996 -12.877 -5.250 38 3HG2 VAL 6 3HG2 VAL 6 8.173 -12.962 -3.481 39 H THR 7 H THR 7 6.886 -8.387 -3.559 40 HA THR 7 HA THR 7 8.581 -6.814 -5.063 41 HB THR 7 HB THR 7 6.060 -6.597 -3.571 42 HG1 THR 7 HG1 THR 7 7.436 -5.264 -5.795 43 1HG2 THR 7 1HG2 THR 7 7.318 -4.803 -2.318 44 2HG2 THR 7 2HG2 THR 7 7.781 -4.080 -3.878 45 3HG2 THR 7 3HG2 THR 7 6.070 -4.125 -3.391 46 H CYS 8 H CYS 8 8.478 -7.311 -1.530 47 HA CYS 8 HA CYS 8 10.062 -5.130 -0.854 48 1HB CYS 8 1HB CYS 8 8.699 -6.573 0.688 49 2HB CYS 8 2HB CYS 8 9.951 -7.794 0.570 50 H LEU 9 H LEU 9 10.762 -8.426 -2.070 51 HA LEU 9 HA LEU 9 13.578 -8.188 -1.608 52 1HB LEU 9 1HB LEU 9 12.670 -10.208 -3.519 53 2HB LEU 9 2HB LEU 9 13.653 -10.366 -2.077 54 HG LEU 9 HG LEU 9 10.628 -10.214 -2.175 55 1HD1 LEU 9 1HD1 LEU 9 11.594 -12.590 -0.942 56 2HD1 LEU 9 2HD1 LEU 9 10.661 -12.412 -2.448 57 3HD1 LEU 9 3HD1 LEU 9 12.440 -12.395 -2.496 58 1HD2 LEU 9 1HD2 LEU 9 11.438 -11.083 0.360 59 2HD2 LEU 9 2HD2 LEU 9 12.470 -9.680 -0.008 60 3HD2 LEU 9 3HD2 LEU 9 10.698 -9.521 -0.067 61 H LYS 10 H LYS 10 11.317 -7.916 -4.411 62 HA LYS 10 HA LYS 10 13.003 -7.706 -6.478 63 1HB LYS 10 1HB LYS 10 10.406 -7.349 -6.234 64 2HB LYS 10 2HB LYS 10 10.831 -5.649 -6.202 65 1HG LYS 10 1HG LYS 10 10.446 -6.179 -8.513 66 2HG LYS 10 2HG LYS 10 12.185 -6.041 -8.342 67 1HD LYS 10 1HD LYS 10 12.434 -8.479 -8.235 68 2HD LYS 10 2HD LYS 10 10.697 -8.702 -8.176 69 1HE LYS 10 1HE LYS 10 10.806 -8.919 -10.444 70 2HE LYS 10 2HE LYS 10 10.989 -7.177 -10.483 71 1HZ LYS 10 1HZ LYS 10 13.199 -9.109 -10.340 72 2HZ LYS 10 2HZ LYS 10 12.752 -8.268 -11.666 73 3HZ LYS 10 3HZ LYS 10 13.371 -7.485 -10.374 74 H SER 11 H SER 11 12.713 -5.470 -3.750 75 HA SER 11 HA SER 11 15.073 -4.425 -3.745 76 1HB SER 11 1HB SER 11 13.658 -3.312 -6.135 77 2HB SER 11 2HB SER 11 14.540 -2.152 -5.161 78 HG SER 11 HG SER 11 15.576 -4.529 -6.442 79 H GLY 12 H GLY 12 12.911 -4.791 -2.020 80 1HA GLY 12 1HA GLY 12 12.001 -2.057 -1.373 81 2HA GLY 12 2HA GLY 12 11.193 -3.544 -0.921 82 H ALA 13 H ALA 13 13.578 -5.051 -0.125 83 HA ALA 13 HA ALA 13 15.151 -3.652 1.701 84 1HB ALA 13 1HB ALA 13 13.729 -3.309 3.411 85 2HB ALA 13 2HB ALA 13 12.445 -4.241 2.605 86 3HB ALA 13 3HB ALA 13 13.653 -5.076 3.610 87 H ILE 14 H ILE 14 16.176 -5.335 3.331 88 HA ILE 14 HA ILE 14 16.960 -7.552 1.708 89 HB ILE 14 HB ILE 14 18.344 -8.065 3.789 90 1HG1 ILE 14 1HG1 ILE 14 18.351 -5.449 4.877 91 2HG1 ILE 14 2HG1 ILE 14 16.675 -5.959 4.833 92 1HG2 ILE 14 1HG2 ILE 14 19.014 -5.324 2.839 93 2HG2 ILE 14 2HG2 ILE 14 20.024 -6.785 2.952 94 3HG2 ILE 14 3HG2 ILE 14 18.861 -6.608 1.616 95 1HD1 ILE 14 1HD1 ILE 14 18.967 -7.596 6.014 96 2HD1 ILE 14 2HD1 ILE 14 17.785 -6.649 6.950 97 3HD1 ILE 14 3HD1 ILE 14 17.249 -8.062 6.010 98 H CYS 15 H CYS 15 17.052 -9.827 2.722 99 HA CYS 15 HA CYS 15 14.435 -10.309 3.942 100 1HB CYS 15 1HB CYS 15 16.090 -11.889 1.998 101 2HB CYS 15 2HB CYS 15 14.935 -12.704 3.034 102 H HIS 16 H HIS 16 14.616 -10.716 6.118 103 HA HIS 16 HA HIS 16 16.649 -12.571 6.976 104 1HB HIS 16 1HB HIS 16 16.670 -9.665 7.679 105 2HB HIS 16 2HB HIS 16 17.071 -10.815 8.939 106 HD1 HIS 16 HD1 HIS 16 19.298 -12.158 8.699 107 HD2 HIS 16 HD2 HIS 16 18.567 -9.447 5.581 108 HE1 HIS 16 HE1 HIS 16 21.488 -11.949 7.405 109 HE2 HIS 16 HE2 HIS 16 20.961 -10.313 5.470 110 HA PRO 17 HA PRO 17 13.345 -13.654 9.552 111 1HB PRO 17 1HB PRO 17 14.616 -15.250 11.370 112 2HB PRO 17 2HB PRO 17 14.137 -15.804 9.778 113 1HG PRO 17 1HG PRO 17 16.836 -15.111 10.764 114 2HG PRO 17 2HG PRO 17 16.391 -16.051 9.353 115 1HD PRO 17 1HD PRO 17 17.305 -13.332 9.385 116 2HD PRO 17 2HD PRO 17 16.750 -14.235 7.989 117 H VAL 18 H VAL 18 12.201 -13.229 11.471 118 HA VAL 18 HA VAL 18 11.706 -11.630 12.977 119 HB VAL 18 HB VAL 18 12.768 -12.069 15.068 120 1HG1 VAL 18 1HG1 VAL 18 11.385 -13.884 13.910 121 2HG1 VAL 18 2HG1 VAL 18 12.933 -14.693 13.568 122 3HG1 VAL 18 3HG1 VAL 18 12.433 -14.403 15.252 123 1HG2 VAL 18 1HG2 VAL 18 14.937 -13.771 13.933 124 2HG2 VAL 18 2HG2 VAL 18 15.140 -12.006 13.815 125 3HG2 VAL 18 3HG2 VAL 18 14.911 -12.771 15.406 126 H PHE 19 H PHE 19 13.768 -10.415 14.841 127 HA PHE 19 HA PHE 19 14.009 -7.968 13.838 128 1HB PHE 19 1HB PHE 19 16.137 -9.606 15.345 129 2HB PHE 19 2HB PHE 19 16.107 -7.855 15.304 130 HD1 PHE 19 HD1 PHE 19 15.445 -10.477 17.351 131 HD2 PHE 19 HD2 PHE 19 13.528 -6.980 15.900 132 HE1 PHE 19 HE1 PHE 19 13.955 -10.456 19.371 133 HE2 PHE 19 HE2 PHE 19 12.038 -6.959 17.920 134 HZ PHE 19 HZ PHE 19 12.269 -8.697 19.631 135 H CYS 20 H CYS 20 15.869 -6.701 12.934 136 HA CYS 20 HA CYS 20 17.395 -8.352 11.054 137 1HB CYS 20 1HB CYS 20 17.066 -6.864 9.322 138 2HB CYS 20 2HB CYS 20 15.491 -6.940 10.086 139 HA PRO 21 HA PRO 21 20.754 -6.326 12.972 140 1HB PRO 21 1HB PRO 21 22.760 -7.034 11.258 141 2HB PRO 21 2HB PRO 21 22.165 -8.089 12.524 142 1HG PRO 21 1HG PRO 21 21.677 -8.231 9.611 143 2HG PRO 21 2HG PRO 21 21.460 -9.478 10.823 144 1HD PRO 21 1HD PRO 21 19.401 -7.910 9.585 145 2HD PRO 21 2HD PRO 21 19.197 -9.075 10.878 146 H ARG 22 H ARG 22 22.840 -4.940 12.288 147 HA ARG 22 HA ARG 22 23.538 -3.069 11.459 148 1HB ARG 22 1HB ARG 22 21.696 -3.945 9.240 149 2HB ARG 22 2HB ARG 22 22.243 -2.280 9.203 150 1HG ARG 22 1HG ARG 22 23.880 -3.476 7.945 151 2HG ARG 22 2HG ARG 22 24.640 -3.193 9.499 152 1HD ARG 22 1HD ARG 22 24.842 -5.583 8.558 153 2HD ARG 22 2HD ARG 22 24.294 -5.454 10.218 154 HE ARG 22 HE ARG 22 22.182 -6.257 9.573 155 1HH1 ARG 22 1HH1 ARG 22 20.963 -7.066 6.405 156 2HH1 ARG 22 2HH1 ARG 22 20.677 -7.161 8.110 157 1HH2 ARG 22 1HH2 ARG 22 22.874 -6.020 5.605 158 2HH2 ARG 22 2HH2 ARG 22 24.014 -5.334 6.714 159 H ARG 23 H ARG 23 22.837 -0.682 11.007 160 HA ARG 23 HA ARG 23 20.790 -0.095 12.862 161 1HB ARG 23 1HB ARG 23 22.845 1.407 11.299 162 2HB ARG 23 2HB ARG 23 21.397 2.326 11.659 163 1HG ARG 23 1HG ARG 23 21.648 1.934 14.055 164 2HG ARG 23 2HG ARG 23 22.931 0.771 13.789 165 1HD ARG 23 1HD ARG 23 23.485 3.404 12.542 166 2HD ARG 23 2HD ARG 23 23.290 3.498 14.281 167 HE ARG 23 HE ARG 23 25.518 2.312 12.877 168 1HH1 ARG 23 1HH1 ARG 23 26.869 0.750 15.690 169 2HH1 ARG 23 2HH1 ARG 23 27.165 1.260 14.061 170 1HH2 ARG 23 1HH2 ARG 23 24.800 1.135 16.668 171 2HH2 ARG 23 2HH2 ARG 23 23.552 1.932 15.770 172 H TYR 24 H TYR 24 20.170 -1.496 10.179 173 HA TYR 24 HA TYR 24 18.762 0.363 8.577 174 1HB TYR 24 1HB TYR 24 19.605 -2.371 8.628 175 2HB TYR 24 2HB TYR 24 17.855 -2.469 8.612 176 HD1 TYR 24 HD1 TYR 24 20.315 -0.200 6.898 177 HD2 TYR 24 HD2 TYR 24 17.087 -2.977 6.487 178 HE1 TYR 24 HE1 TYR 24 20.313 0.164 4.382 179 HE2 TYR 24 HE2 TYR 24 17.096 -2.604 3.972 180 HH TYR 24 HH TYR 24 18.027 -1.601 2.307 181 H LYS 25 H LYS 25 16.291 -0.960 8.111 182 HA LYS 25 HA LYS 25 14.904 -1.072 10.634 183 1HB LYS 25 1HB LYS 25 15.173 1.425 9.701 184 2HB LYS 25 2HB LYS 25 13.786 0.948 8.742 185 1HG LYS 25 1HG LYS 25 12.889 1.878 10.767 186 2HG LYS 25 2HG LYS 25 12.678 0.144 10.907 187 1HD LYS 25 1HD LYS 25 15.156 0.373 12.029 188 2HD LYS 25 2HD LYS 25 14.527 1.963 12.414 189 1HE LYS 25 1HE LYS 25 12.425 0.090 12.976 190 2HE LYS 25 2HE LYS 25 13.894 -0.585 13.655 191 1HZ LYS 25 1HZ LYS 25 13.923 0.978 15.199 192 2HZ LYS 25 2HZ LYS 25 13.662 2.198 14.145 193 3HZ LYS 25 3HZ LYS 25 12.399 1.365 14.760 194 H GLN 26 H GLN 26 13.654 -2.843 10.440 195 HA GLN 26 HA GLN 26 12.791 -3.522 7.750 196 1HB GLN 26 1HB GLN 26 13.143 -5.695 8.304 197 2HB GLN 26 2HB GLN 26 14.029 -5.067 9.679 198 1HG GLN 26 1HG GLN 26 11.035 -5.678 9.699 199 2HG GLN 26 2HG GLN 26 12.266 -6.772 10.297 200 1HE2 GLN 26 1HE2 GLN 26 10.088 -5.587 11.736 201 2HE2 GLN 26 2HE2 GLN 26 10.740 -4.645 13.035 202 H ILE 27 H ILE 27 10.542 -4.475 7.524 203 HA ILE 27 HA ILE 27 8.613 -4.255 9.487 204 HB ILE 27 HB ILE 27 7.512 -2.145 8.246 205 1HG1 ILE 27 1HG1 ILE 27 10.385 -1.261 8.450 206 2HG1 ILE 27 2HG1 ILE 27 9.769 -1.944 6.958 207 1HG2 ILE 27 1HG2 ILE 27 9.261 -1.199 10.363 208 2HG2 ILE 27 2HG2 ILE 27 7.489 -1.372 10.330 209 3HG2 ILE 27 3HG2 ILE 27 8.511 -2.761 10.774 210 1HD1 ILE 27 1HD1 ILE 27 8.771 0.537 8.413 211 2HD1 ILE 27 2HD1 ILE 27 9.456 0.429 6.774 212 3HD1 ILE 27 3HD1 ILE 27 7.843 -0.243 7.110 213 H GLY 28 H GLY 28 9.713 -5.727 7.058 214 1HA GLY 28 1HA GLY 28 7.109 -6.042 5.701 215 2HA GLY 28 2HA GLY 28 8.596 -5.907 4.785 216 H THR 29 H THR 29 7.694 -8.135 4.049 217 HA THR 29 HA THR 29 8.803 -10.184 5.852 218 HB THR 29 HB THR 29 6.481 -10.653 3.939 219 HG1 THR 29 HG1 THR 29 5.183 -9.683 5.490 220 1HG2 THR 29 1HG2 THR 29 7.716 -11.997 6.345 221 2HG2 THR 29 2HG2 THR 29 5.948 -12.092 6.164 222 3HG2 THR 29 3HG2 THR 29 7.009 -12.731 4.886 223 H CYS 30 H CYS 30 8.705 -12.361 4.151 224 HA CYS 30 HA CYS 30 10.155 -11.482 1.784 225 1HB CYS 30 1HB CYS 30 11.680 -12.077 3.813 226 2HB CYS 30 2HB CYS 30 11.259 -13.736 3.434 227 H GLY 31 H GLY 31 8.616 -14.094 3.749 228 1HA GLY 31 1HA GLY 31 6.790 -15.005 2.016 229 2HA GLY 31 2HA GLY 31 8.241 -15.788 1.422 230 H LEU 32 H LEU 32 9.707 -16.445 3.653 231 HA LEU 32 HA LEU 32 8.589 -18.754 4.540 232 1HB LEU 32 1HB LEU 32 10.360 -18.910 6.019 233 2HB LEU 32 2HB LEU 32 10.971 -17.913 4.713 234 HG LEU 32 HG LEU 32 10.115 -15.963 6.371 235 1HD1 LEU 32 1HD1 LEU 32 9.309 -17.461 8.098 236 2HD1 LEU 32 2HD1 LEU 32 10.902 -18.249 8.199 237 3HD1 LEU 32 3HD1 LEU 32 10.717 -16.548 8.690 238 1HD2 LEU 32 1HD2 LEU 32 12.766 -17.411 6.320 239 2HD2 LEU 32 2HD2 LEU 32 12.294 -15.922 5.467 240 3HD2 LEU 32 3HD2 LEU 32 12.503 -15.908 7.235 241 HA PRO 33 HA PRO 33 5.868 -17.829 7.774 242 1HB PRO 33 1HB PRO 33 6.559 -19.424 9.883 243 2HB PRO 33 2HB PRO 33 5.683 -20.012 8.484 244 1HG PRO 33 1HG PRO 33 8.523 -20.417 9.198 245 2HG PRO 33 2HG PRO 33 7.536 -21.320 8.066 246 1HD PRO 33 1HD PRO 33 9.523 -19.354 7.423 247 2HD PRO 33 2HD PRO 33 8.456 -20.172 6.299 248 H GLY 34 H GLY 34 6.032 -15.662 8.185 249 1HA GLY 34 1HA GLY 34 6.315 -13.952 9.645 250 2HA GLY 34 2HA GLY 34 7.054 -15.050 10.794 251 H THR 35 H THR 35 7.731 -13.507 7.571 252 HA THR 35 HA THR 35 10.580 -13.640 8.111 253 HB THR 35 HB THR 35 9.771 -12.158 5.725 254 HG1 THR 35 HG1 THR 35 8.594 -14.759 6.411 255 1HG2 THR 35 1HG2 THR 35 10.531 -14.709 4.909 256 2HG2 THR 35 2HG2 THR 35 11.662 -13.363 5.191 257 3HG2 THR 35 3HG2 THR 35 11.363 -14.558 6.476 258 H LYS 36 H LYS 36 11.828 -11.517 7.412 259 HA LYS 36 HA LYS 36 10.467 -9.172 8.456 260 1HB LYS 36 1HB LYS 36 12.910 -10.416 9.735 261 2HB LYS 36 2HB LYS 36 12.486 -8.730 9.951 262 1HG LYS 36 1HG LYS 36 10.849 -11.172 10.749 263 2HG LYS 36 2HG LYS 36 11.513 -9.942 11.805 264 1HD LYS 36 1HD LYS 36 9.553 -9.135 9.640 265 2HD LYS 36 2HD LYS 36 8.949 -9.866 11.114 266 1HE LYS 36 1HE LYS 36 10.951 -7.671 11.490 267 2HE LYS 36 2HE LYS 36 9.406 -7.178 10.827 268 1HZ LYS 36 1HZ LYS 36 9.916 -7.609 13.425 269 2HZ LYS 36 2HZ LYS 36 8.425 -7.542 12.762 270 3HZ LYS 36 3HZ LYS 36 9.147 -8.987 13.004 271 H CYS 37 H CYS 37 10.624 -7.905 6.667 272 HA CYS 37 HA CYS 37 13.095 -8.011 5.152 273 1HB CYS 37 1HB CYS 37 10.680 -8.046 4.187 274 2HB CYS 37 2HB CYS 37 10.712 -6.315 4.462 275 H CYS 38 H CYS 38 14.706 -6.546 5.594 276 HA CYS 38 HA CYS 38 13.960 -4.209 7.167 277 1HB CYS 38 1HB CYS 38 15.897 -5.999 7.654 278 2HB CYS 38 2HB CYS 38 16.810 -4.888 6.653 279 H LYS 39 H LYS 39 14.087 -2.156 6.260 280 HA LYS 39 HA LYS 39 15.252 -2.023 3.566 281 1HB LYS 39 1HB LYS 39 13.580 -0.457 2.946 282 2HB LYS 39 2HB LYS 39 12.753 -1.805 3.699 283 1HG LYS 39 1HG LYS 39 11.734 -0.218 4.985 284 2HG LYS 39 2HG LYS 39 13.231 -0.203 5.897 285 1HD LYS 39 1HD LYS 39 13.071 2.061 5.402 286 2HD LYS 39 2HD LYS 39 13.997 1.534 4.011 287 1HE LYS 39 1HE LYS 39 12.223 1.805 2.543 288 2HE LYS 39 2HE LYS 39 11.023 1.331 3.729 289 1HZ LYS 39 1HZ LYS 39 12.420 3.795 4.257 290 2HZ LYS 39 2HZ LYS 39 11.394 3.815 2.988 291 3HZ LYS 39 3HZ LYS 39 10.845 3.423 4.475 292 H LYS 40 H LYS 40 15.797 0.446 3.049 293 HA LYS 40 HA LYS 40 17.927 1.110 4.689 294 1HB LYS 40 1HB LYS 40 17.872 1.795 2.395 295 2HB LYS 40 2HB LYS 40 16.385 2.693 2.621 296 1HG LYS 40 1HG LYS 40 17.789 4.009 4.460 297 2HG LYS 40 2HG LYS 40 19.172 3.375 3.590 298 1HD LYS 40 1HD LYS 40 17.498 4.321 1.540 299 2HD LYS 40 2HD LYS 40 17.291 5.510 2.810 300 1HE LYS 40 1HE LYS 40 19.719 5.880 2.942 301 2HE LYS 40 2HE LYS 40 20.024 4.565 1.824 302 1HZ LYS 40 1HZ LYS 40 19.138 7.227 1.283 303 2HZ LYS 40 2HZ LYS 40 19.956 6.186 0.327 304 3HZ LYS 40 3HZ LYS 40 18.331 6.083 0.443 305 HA PRO 41 HA PRO 41 16.006 3.188 7.958 306 1HB PRO 41 1HB PRO 41 18.176 4.434 9.057 307 2HB PRO 41 2HB PRO 41 17.781 2.753 9.359 308 1HG PRO 41 1HG PRO 41 19.904 3.877 7.637 309 2HG PRO 41 2HG PRO 41 19.758 2.255 8.282 310 1HD PRO 41 1HD PRO 41 19.202 3.089 5.595 311 2HD PRO 41 2HD PRO 41 18.946 1.493 6.270
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