NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
608940 | 5jhi | 30067 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 1H CYS 1 -15.025 -0.163 1.732 2 H2 CYS 1 2H CYS 1 -15.250 -1.685 1.033 3 H3 CYS 1 3H CYS 1 -16.032 -0.334 0.387 4 HA CYS 1 HA CYS 1 -14.170 -0.998 -0.963 5 HB2 CYS 1 2HB CYS 1 -12.944 1.282 -0.813 6 HB3 CYS 1 1HB CYS 1 -14.667 1.284 -1.176 7 H LYS 2 H LYS 2 -13.025 -2.741 -0.157 8 HA LYS 2 HA LYS 2 -10.518 -2.035 1.237 9 HB2 LYS 2 1HB LYS 2 -12.065 -4.645 1.334 10 HB3 LYS 2 2HB LYS 2 -10.456 -4.419 2.003 11 HG2 LYS 2 1HG LYS 2 -11.325 -2.794 3.596 12 HG3 LYS 2 2HG LYS 2 -12.938 -2.953 2.896 13 HD2 LYS 2 1HD LYS 2 -13.056 -5.271 3.581 14 HD3 LYS 2 2HD LYS 2 -11.388 -5.228 4.151 15 HE2 LYS 2 1HE LYS 2 -13.650 -3.576 5.284 16 HE3 LYS 2 2HE LYS 2 -13.051 -5.081 5.979 17 HZ1 LYS 2 1HZ LYS 2 -11.603 -2.510 5.723 18 HZ2 LYS 2 2HZ LYS 2 -10.832 -3.958 6.117 19 HZ3 LYS 2 3HZ LYS 2 -12.021 -3.326 7.141 20 H GLN 3 H GLN 3 -9.215 -1.755 -0.526 21 HA GLN 3 HA GLN 3 -9.349 -3.787 -2.671 22 HB2 GLN 3 1HB GLN 3 -8.470 -0.903 -2.978 23 HB3 GLN 3 2HB GLN 3 -8.735 -2.072 -4.263 24 HG2 GLN 3 1HG GLN 3 -10.853 -0.885 -2.471 25 HG3 GLN 3 2HG GLN 3 -10.555 -0.466 -4.155 26 HE21 GLN 3 1HE2 GLN 3 -12.279 -3.222 -5.470 27 HE22 GLN 3 2HE2 GLN 3 -11.174 -1.928 -5.776 28 H ARG 4 H ARG 4 -7.159 -3.691 -3.996 29 HA ARG 4 HA ARG 4 -4.866 -3.296 -2.263 30 HB2 ARG 4 1HB ARG 4 -4.094 -5.686 -2.703 31 HB3 ARG 4 2HB ARG 4 -5.371 -5.463 -1.516 32 HG2 ARG 4 1HG ARG 4 -7.040 -6.112 -3.204 33 HG3 ARG 4 2HG ARG 4 -5.741 -6.368 -4.372 34 HD2 ARG 4 1HD ARG 4 -6.590 -8.444 -3.211 35 HD3 ARG 4 2HD ARG 4 -4.850 -8.178 -3.120 36 HE ARG 4 HE ARG 4 -5.073 -7.586 -0.841 37 HH11 ARG 4 1HH1 ARG 4 -8.072 -8.724 -2.246 38 HH12 ARG 4 2HH1 ARG 4 -8.822 -9.024 -0.716 39 HH21 ARG 4 1HH2 ARG 4 -6.047 -7.994 1.178 40 HH22 ARG 4 2HH2 ARG 4 -7.664 -8.621 1.241 41 H ARG 5 H ARG 5 -2.866 -3.387 -3.299 42 HA ARG 5 HA ARG 5 -2.882 -3.517 -6.245 43 HB2 ARG 5 1HB ARG 5 -1.534 -1.413 -4.526 44 HB3 ARG 5 2HB ARG 5 -1.228 -1.627 -6.242 45 HG2 ARG 5 1HG ARG 5 -3.576 -1.060 -6.721 46 HG3 ARG 5 2HG ARG 5 -3.855 -0.814 -4.993 47 HD2 ARG 5 1HD ARG 5 -2.161 0.955 -4.970 48 HD3 ARG 5 2HD ARG 5 -1.860 0.698 -6.687 49 HE ARG 5 HE ARG 5 -4.577 1.270 -6.370 50 HH11 ARG 5 1HH1 ARG 5 -1.476 2.840 -5.981 51 HH12 ARG 5 2HH1 ARG 5 -2.087 4.426 -6.318 52 HH21 ARG 5 1HH2 ARG 5 -5.392 3.385 -6.802 53 HH22 ARG 5 2HH2 ARG 5 -4.302 4.734 -6.771 54 H ARG 6 H ARG 6 -0.739 -3.925 -7.156 55 HA ARG 6 HA ARG 6 1.111 -5.211 -5.249 56 HB2 ARG 6 1HB ARG 6 0.648 -5.801 -8.185 57 HB3 ARG 6 2HB ARG 6 1.970 -6.481 -7.243 58 HG2 ARG 6 1HG ARG 6 0.195 -7.423 -5.684 59 HG3 ARG 6 2HG ARG 6 -0.983 -6.969 -6.918 60 HD2 ARG 6 1HD ARG 6 1.380 -8.801 -7.345 61 HD3 ARG 6 2HD ARG 6 -0.281 -9.329 -7.088 62 HE ARG 6 HE ARG 6 -0.809 -8.102 -9.196 63 HH11 ARG 6 1HH1 ARG 6 2.463 -9.214 -8.602 64 HH12 ARG 6 2HH1 ARG 6 2.829 -9.433 -10.281 65 HH21 ARG 6 1HH2 ARG 6 -0.337 -8.404 -11.398 66 HH22 ARG 6 2HH2 ARG 6 1.229 -8.985 -11.875 67 H TYR 7 H TYR 7 2.820 -4.054 -4.863 68 HA TYR 7 HA TYR 7 3.639 -1.961 -6.770 69 HB2 TYR 7 2HB TYR 7 2.627 -1.069 -4.732 70 HB3 TYR 7 1HB TYR 7 3.713 -2.028 -3.738 71 HD1 TYR 7 1HD TYR 7 5.870 -1.208 -3.159 72 HD2 TYR 7 2HD TYR 7 3.554 0.808 -6.106 73 HE1 TYR 7 1HE TYR 7 7.446 0.678 -3.096 74 HE2 TYR 7 2HE TYR 7 5.129 2.695 -6.059 75 HH TYR 7 HH TYR 7 8.164 2.522 -4.545 76 H ARG 8 H ARG 8 5.838 -1.655 -7.130 77 HA ARG 8 HA ARG 8 7.598 -3.753 -6.047 78 HB2 ARG 8 1HB ARG 8 7.241 -3.930 -8.484 79 HB3 ARG 8 2HB ARG 8 7.837 -2.285 -8.684 80 HG2 ARG 8 1HG ARG 8 10.027 -2.957 -7.843 81 HG3 ARG 8 2HG ARG 8 9.437 -4.600 -7.589 82 HD2 ARG 8 1HD ARG 8 9.024 -4.807 -10.011 83 HD3 ARG 8 2HD ARG 8 9.654 -3.173 -10.245 84 HE ARG 8 HE ARG 8 11.519 -4.823 -8.867 85 HH11 ARG 8 1HH1 ARG 8 10.270 -4.151 -12.079 86 HH12 ARG 8 2HH1 ARG 8 11.719 -4.687 -12.873 87 HH21 ARG 8 1HH2 ARG 8 13.402 -5.513 -9.919 88 HH22 ARG 8 2HH2 ARG 8 13.493 -5.445 -11.652 89 H GLY 9 H GLY 9 9.327 -3.145 -4.917 90 HA2 GLY 9 1HA GLY 9 11.043 -1.063 -5.235 91 HA3 GLY 9 2HA GLY 9 9.726 -0.355 -4.307 92 H SER 10 H SER 10 11.327 -0.033 -2.625 93 HA SER 10 HA SER 10 12.424 -2.334 -1.280 94 HB2 SER 10 1HB SER 10 12.270 0.554 -0.354 95 HB3 SER 10 2HB SER 10 13.305 -0.709 0.318 96 HG SER 10 HG SER 10 13.699 -0.565 -2.326 97 H GLU 11 H GLU 11 11.863 -3.005 0.855 98 HA GLU 11 HA GLU 11 9.226 -3.497 1.389 99 HB2 GLU 11 1HB GLU 11 11.366 -3.154 3.506 100 HB3 GLU 11 2HB GLU 11 9.908 -4.130 3.632 101 HG2 GLU 11 1HG GLU 11 10.738 -5.631 1.906 102 HG3 GLU 11 2HG GLU 11 12.182 -4.636 1.716 103 H GLU 12 H GLU 12 11.216 -0.922 2.809 104 HA GLU 12 HA GLU 12 9.260 0.271 4.412 105 HB2 GLU 12 1HB GLU 12 11.667 0.730 4.602 106 HB3 GLU 12 2HB GLU 12 11.643 1.545 3.045 107 HG2 GLU 12 1HG GLU 12 10.139 3.250 3.971 108 HG3 GLU 12 2HG GLU 12 10.191 2.431 5.533 109 H GLU 13 H GLU 13 10.226 0.946 1.073 110 HA GLU 13 HA GLU 13 8.518 3.122 0.597 111 HB2 GLU 13 1HB GLU 13 9.625 1.051 -1.320 112 HB3 GLU 13 2HB GLU 13 8.810 2.530 -1.821 113 HG2 GLU 13 1HG GLU 13 11.325 2.436 -0.160 114 HG3 GLU 13 2HG GLU 13 11.280 2.670 -1.907 115 H CYS 14 H CYS 14 8.037 -0.349 0.316 116 HA CYS 14 HA CYS 14 5.452 -0.286 -0.812 117 HB2 CYS 14 2HB CYS 14 6.797 -2.382 0.924 118 HB3 CYS 14 1HB CYS 14 5.293 -2.632 0.036 119 H ARG 15 H ARG 15 6.625 -0.325 2.526 120 HA ARG 15 HA ARG 15 4.071 -0.458 3.762 121 HB2 ARG 15 1HB ARG 15 6.665 0.649 4.874 122 HB3 ARG 15 2HB ARG 15 5.246 0.222 5.819 123 HG2 ARG 15 1HG ARG 15 6.966 -1.686 4.234 124 HG3 ARG 15 2HG ARG 15 6.949 -1.501 5.988 125 HD2 ARG 15 1HD ARG 15 4.625 -2.415 4.284 126 HD3 ARG 15 2HD ARG 15 5.663 -3.459 5.255 127 HE ARG 15 HE ARG 15 4.546 -1.446 6.887 128 HH11 ARG 15 1HH1 ARG 15 3.657 -4.390 5.202 129 HH12 ARG 15 2HH1 ARG 15 2.361 -4.773 6.294 130 HH21 ARG 15 1HH2 ARG 15 2.842 -1.947 8.315 131 HH22 ARG 15 2HH2 ARG 15 1.891 -3.376 8.055 132 H LYS 16 H LYS 16 6.105 2.179 2.642 133 HA LYS 16 HA LYS 16 4.646 4.269 3.877 134 HB2 LYS 16 1HB LYS 16 6.897 4.725 3.379 135 HB3 LYS 16 2HB LYS 16 6.779 4.031 1.770 136 HG2 LYS 16 1HG LYS 16 6.995 6.385 1.591 137 HG3 LYS 16 2HG LYS 16 5.379 5.906 1.092 138 HD2 LYS 16 1HD LYS 16 5.295 7.943 2.450 139 HD3 LYS 16 2HD LYS 16 4.490 6.607 3.272 140 HE2 LYS 16 1HE LYS 16 5.856 7.881 4.831 141 HE3 LYS 16 2HE LYS 16 6.495 6.250 4.644 142 HZ1 LYS 16 1HZ LYS 16 8.194 7.093 3.184 143 HZ2 LYS 16 2HZ LYS 16 8.229 7.962 4.634 144 HZ3 LYS 16 3HZ LYS 16 7.546 8.654 3.249 145 H TYR 17 H TYR 17 4.712 2.751 0.708 146 HA TYR 17 HA TYR 17 2.836 4.332 -0.633 147 HB2 TYR 17 2HB TYR 17 4.333 2.585 -1.642 148 HB3 TYR 17 1HB TYR 17 3.317 1.346 -0.920 149 HD1 TYR 17 1HD TYR 17 1.485 0.503 -2.112 150 HD2 TYR 17 2HD TYR 17 3.211 4.208 -3.304 151 HE1 TYR 17 1HE TYR 17 0.097 0.490 -4.140 152 HE2 TYR 17 2HE TYR 17 1.824 4.204 -5.333 153 HH TYR 17 HH TYR 17 0.675 2.530 -6.760 154 H ALA 18 H ALA 18 2.467 1.440 1.379 155 HA ALA 18 HA ALA 18 -0.314 1.128 1.159 156 HB1 ALA 18 1HB ALA 18 -0.149 -0.278 3.136 157 HB2 ALA 18 2HB ALA 18 1.451 0.372 3.494 158 HB3 ALA 18 3HB ALA 18 1.199 -0.599 2.043 159 H GLU 19 H GLU 19 1.578 2.750 3.735 160 HA GLU 19 HA GLU 19 -0.678 3.488 5.258 161 HB2 GLU 19 1HB GLU 19 0.823 4.964 6.503 162 HB3 GLU 19 2HB GLU 19 1.564 3.393 6.240 163 HG2 GLU 19 1HG GLU 19 2.899 4.336 4.415 164 HG3 GLU 19 2HG GLU 19 2.159 5.910 4.689 165 H GLU 20 H GLU 20 1.200 5.282 2.830 166 HA GLU 20 HA GLU 20 -0.160 7.718 2.983 167 HB2 GLU 20 1HB GLU 20 1.317 6.336 0.755 168 HB3 GLU 20 2HB GLU 20 0.512 7.874 0.475 169 HG2 GLU 20 1HG GLU 20 2.617 7.402 2.581 170 HG3 GLU 20 2HG GLU 20 2.925 8.086 0.984 171 H LEU 21 H LEU 21 -0.755 4.940 0.826 172 HA LEU 21 HA LEU 21 -3.004 5.981 -0.465 173 HB2 LEU 21 1HB LEU 21 -1.718 3.379 -0.197 174 HB3 LEU 21 2HB LEU 21 -3.462 3.231 -0.314 175 HG LEU 21 HG LEU 21 -1.663 4.613 -2.312 176 HD11 LEU 21 1HD1 LEU 21 -3.193 2.018 -2.465 177 HD12 LEU 21 2HD1 LEU 21 -1.441 2.203 -2.394 178 HD13 LEU 21 3HD1 LEU 21 -2.331 2.778 -3.803 179 HD21 LEU 21 1HD2 LEU 21 -4.659 4.197 -2.315 180 HD22 LEU 21 2HD2 LEU 21 -3.712 4.804 -3.676 181 HD23 LEU 21 3HD2 LEU 21 -3.809 5.739 -2.182 182 H SER 22 H SER 22 -2.745 4.140 2.532 183 HA SER 22 HA SER 22 -5.527 3.680 2.781 184 HB2 SER 22 1HB SER 22 -3.770 2.264 3.850 185 HB3 SER 22 2HB SER 22 -3.419 3.586 4.962 186 HG SER 22 HG SER 22 -5.872 3.379 5.339 187 H ARG 23 H ARG 23 -3.372 6.208 4.014 188 HA ARG 23 HA ARG 23 -5.466 7.397 5.628 189 HB2 ARG 23 1HB ARG 23 -3.842 9.151 6.132 190 HB3 ARG 23 2HB ARG 23 -3.123 7.561 6.347 191 HG2 ARG 23 1HG ARG 23 -2.029 7.787 4.142 192 HG3 ARG 23 2HG ARG 23 -2.699 9.412 4.002 193 HD2 ARG 23 1HD ARG 23 -0.344 9.379 4.785 194 HD3 ARG 23 2HD ARG 23 -1.450 10.150 5.921 195 HE ARG 23 HE ARG 23 -1.412 7.998 7.171 196 HH11 ARG 23 1HH1 ARG 23 1.264 8.783 5.047 197 HH12 ARG 23 2HH1 ARG 23 2.407 7.852 5.963 198 HH21 ARG 23 1HH2 ARG 23 0.092 6.772 8.350 199 HH22 ARG 23 2HH2 ARG 23 1.747 6.702 7.818 200 H ARG 24 H ARG 24 -4.126 7.802 2.439 201 HA ARG 24 HA ARG 24 -5.166 10.392 1.911 202 HB2 ARG 24 1HB ARG 24 -3.324 9.044 0.654 203 HB3 ARG 24 2HB ARG 24 -4.665 8.326 -0.225 204 HG2 ARG 24 1HG ARG 24 -3.760 10.153 -1.502 205 HG3 ARG 24 2HG ARG 24 -5.370 10.599 -0.928 206 HD2 ARG 24 1HD ARG 24 -3.746 12.439 -0.687 207 HD3 ARG 24 2HD ARG 24 -4.401 11.920 0.864 208 HE ARG 24 HE ARG 24 -1.759 10.998 -0.092 209 HH11 ARG 24 1HH1 ARG 24 -3.791 12.392 2.405 210 HH12 ARG 24 2HH1 ARG 24 -2.508 12.482 3.571 211 HH21 ARG 24 1HH2 ARG 24 -0.073 11.110 1.451 212 HH22 ARG 24 2HH2 ARG 24 -0.391 11.777 3.022 213 H THR 25 H THR 25 -6.271 7.125 1.116 214 HA THR 25 HA THR 25 -8.859 8.155 0.216 215 HB THR 25 HB THR 25 -7.898 5.278 0.256 216 HG1 THR 25 1HG THR 25 -6.480 6.307 -1.080 217 HG21 THR 25 1HG2 THR 25 -9.588 4.981 -1.515 218 HG22 THR 25 2HG2 THR 25 -10.062 6.671 -1.341 219 HG23 THR 25 3HG2 THR 25 -10.318 5.541 -0.010 220 H GLY 26 H GLY 26 -10.683 7.969 1.441 221 HA2 GLY 26 1HA GLY 26 -10.494 7.097 4.175 222 HA3 GLY 26 2HA GLY 26 -11.937 7.688 3.361 223 H CYS 27 H CYS 27 -9.761 4.902 3.046 224 HA CYS 27 HA CYS 27 -11.909 3.006 3.402 225 HB2 CYS 27 2HB CYS 27 -10.511 3.359 0.734 226 HB3 CYS 27 1HB CYS 27 -11.373 1.890 1.179 227 H GLU 28 H GLU 28 -10.689 0.726 2.515 228 HA GLU 28 HA GLU 28 -8.093 0.769 3.924 229 HB2 GLU 28 1HB GLU 28 -9.788 -0.576 5.081 230 HB3 GLU 28 2HB GLU 28 -10.063 -1.512 3.617 231 HG2 GLU 28 1HG GLU 28 -7.878 -2.470 3.728 232 HG3 GLU 28 2HG GLU 28 -7.407 -1.385 5.037 233 H VAL 29 H VAL 29 -6.369 0.304 2.758 234 HA VAL 29 HA VAL 29 -6.702 -1.157 0.225 235 HB VAL 29 HB VAL 29 -4.816 1.164 0.707 236 HG11 VAL 29 1HG1 VAL 29 -4.287 0.956 -1.695 237 HG12 VAL 29 2HG1 VAL 29 -5.291 -0.492 -1.777 238 HG13 VAL 29 3HG1 VAL 29 -3.832 -0.486 -0.787 239 HG21 VAL 29 1HG2 VAL 29 -7.289 1.008 -1.023 240 HG22 VAL 29 2HG2 VAL 29 -6.171 2.370 -0.956 241 HG23 VAL 29 3HG2 VAL 29 -7.117 1.935 0.469 242 H GLU 30 H GLU 30 -5.270 -2.731 -0.152 243 HA GLU 30 HA GLU 30 -3.162 -3.223 1.849 244 HB2 GLU 30 1HB GLU 30 -5.006 -4.893 1.808 245 HB3 GLU 30 2HB GLU 30 -4.672 -5.199 0.110 246 HG2 GLU 30 1HG GLU 30 -2.390 -5.949 0.761 247 HG3 GLU 30 2HG GLU 30 -2.867 -5.781 2.452 248 H VAL 31 H VAL 31 -1.112 -3.769 1.084 249 HA VAL 31 HA VAL 31 -0.732 -3.470 -1.829 250 HB VAL 31 HB VAL 31 1.091 -2.409 0.350 251 HG11 VAL 31 1HG1 VAL 31 1.321 -2.194 -2.659 252 HG12 VAL 31 2HG1 VAL 31 2.359 -3.149 -1.600 253 HG13 VAL 31 3HG1 VAL 31 2.369 -1.388 -1.487 254 HG21 VAL 31 1HG2 VAL 31 -0.937 -1.066 0.129 255 HG22 VAL 31 2HG2 VAL 31 -0.676 -0.931 -1.609 256 HG23 VAL 31 3HG2 VAL 31 0.461 -0.183 -0.489 257 H GLU 32 H GLU 32 0.767 -4.743 -2.791 258 HA GLU 32 HA GLU 32 2.029 -6.841 -1.140 259 HB2 GLU 32 1HB GLU 32 0.351 -7.578 -2.877 260 HB3 GLU 32 2HB GLU 32 1.406 -6.904 -4.111 261 HG2 GLU 32 1HG GLU 32 3.178 -8.468 -3.424 262 HG3 GLU 32 2HG GLU 32 2.083 -9.157 -2.224 263 H CYS 33 H CYS 33 4.270 -7.181 -1.454 264 HA CYS 33 HA CYS 33 5.559 -4.862 -2.750 265 HB2 CYS 33 2HB CYS 33 5.619 -4.928 -0.235 266 HB3 CYS 33 1HB CYS 33 6.574 -6.403 -0.345 267 H GLU 34 H GLU 34 6.563 -5.413 -4.522 268 HA GLU 34 HA GLU 34 8.025 -7.972 -4.650 269 HB2 GLU 34 1HB GLU 34 6.965 -6.299 -6.953 270 HB3 GLU 34 2HB GLU 34 7.782 -7.852 -7.085 271 HG2 GLU 34 1HG GLU 34 5.930 -8.926 -5.888 272 HG3 GLU 34 2HG GLU 34 5.111 -7.369 -5.769 273 H THR 35 H THR 35 10.084 -7.891 -5.789 274 HA THR 35 HA THR 35 11.302 -5.253 -6.087 275 HB THR 35 HB THR 35 12.506 -7.379 -4.282 276 HG1 THR 35 1HG THR 35 11.217 -4.892 -3.737 277 HG21 THR 35 1HG2 THR 35 14.213 -5.691 -3.781 278 HG22 THR 35 2HG2 THR 35 13.462 -4.576 -4.926 279 HG23 THR 35 3HG2 THR 35 14.199 -6.071 -5.505 Start of MODEL 2 1 H1 CYS 1 1H CYS 1 -16.552 -1.200 1.712 2 H2 CYS 1 2H CYS 1 -15.206 -0.623 2.554 3 H3 CYS 1 3H CYS 1 -15.442 -2.286 2.379 4 HA CYS 1 HA CYS 1 -15.154 -2.121 0.017 5 HB2 CYS 1 2HB CYS 1 -14.250 0.091 -0.864 6 HB3 CYS 1 1HB CYS 1 -15.960 0.067 -0.452 7 H LYS 2 H LYS 2 -13.531 -3.537 0.418 8 HA LYS 2 HA LYS 2 -10.957 -2.447 1.342 9 HB2 LYS 2 1HB LYS 2 -12.012 -5.283 1.341 10 HB3 LYS 2 2HB LYS 2 -10.339 -4.872 1.700 11 HG2 LYS 2 1HG LYS 2 -11.129 -3.474 3.590 12 HG3 LYS 2 2HG LYS 2 -12.778 -4.011 3.257 13 HD2 LYS 2 1HD LYS 2 -12.164 -6.310 3.717 14 HD3 LYS 2 2HD LYS 2 -10.472 -5.850 3.920 15 HE2 LYS 2 1HE LYS 2 -11.484 -6.154 6.089 16 HE3 LYS 2 2HE LYS 2 -11.121 -4.447 5.853 17 HZ1 LYS 2 1HZ LYS 2 -13.470 -4.119 5.237 18 HZ2 LYS 2 2HZ LYS 2 -13.289 -4.690 6.819 19 HZ3 LYS 2 3HZ LYS 2 -13.777 -5.743 5.592 20 H GLN 3 H GLN 3 -9.229 -2.454 0.031 21 HA GLN 3 HA GLN 3 -9.344 -3.919 -2.522 22 HB2 GLN 3 1HB GLN 3 -8.644 -0.978 -2.251 23 HB3 GLN 3 2HB GLN 3 -8.505 -1.924 -3.727 24 HG2 GLN 3 1HG GLN 3 -10.913 -2.229 -3.792 25 HG3 GLN 3 2HG GLN 3 -11.084 -1.364 -2.264 26 HE21 GLN 3 1HE2 GLN 3 -10.559 0.645 -5.754 27 HE22 GLN 3 2HE2 GLN 3 -10.397 -1.074 -5.666 28 H ARG 4 H ARG 4 -7.175 -4.019 -3.574 29 HA ARG 4 HA ARG 4 -4.897 -3.386 -1.862 30 HB2 ARG 4 1HB ARG 4 -5.532 -6.193 -2.804 31 HB3 ARG 4 2HB ARG 4 -3.934 -5.698 -2.259 32 HG2 ARG 4 1HG ARG 4 -4.847 -5.141 -0.061 33 HG3 ARG 4 2HG ARG 4 -6.455 -5.620 -0.602 34 HD2 ARG 4 1HD ARG 4 -5.421 -7.386 0.716 35 HD3 ARG 4 2HD ARG 4 -5.658 -7.907 -0.951 36 HE ARG 4 HE ARG 4 -3.306 -7.698 -1.309 37 HH11 ARG 4 1HH1 ARG 4 -4.261 -7.209 2.028 38 HH12 ARG 4 2HH1 ARG 4 -2.719 -7.681 2.669 39 HH21 ARG 4 1HH2 ARG 4 -1.268 -8.309 -0.457 40 HH22 ARG 4 2HH2 ARG 4 -1.024 -8.305 1.259 41 H ARG 5 H ARG 5 -3.211 -2.689 -2.996 42 HA ARG 5 HA ARG 5 -3.140 -3.179 -5.905 43 HB2 ARG 5 1HB ARG 5 -2.105 -0.823 -4.339 44 HB3 ARG 5 2HB ARG 5 -1.849 -1.075 -6.066 45 HG2 ARG 5 1HG ARG 5 -4.309 -1.091 -6.381 46 HG3 ARG 5 2HG ARG 5 -4.494 -0.700 -4.669 47 HD2 ARG 5 1HD ARG 5 -4.657 1.327 -5.847 48 HD3 ARG 5 2HD ARG 5 -3.072 1.304 -5.082 49 HE ARG 5 HE ARG 5 -3.436 0.609 -7.927 50 HH11 ARG 5 1HH1 ARG 5 -1.775 2.390 -5.414 51 HH12 ARG 5 2HH1 ARG 5 -0.672 3.161 -6.506 52 HH21 ARG 5 1HH2 ARG 5 -2.009 1.667 -9.372 53 HH22 ARG 5 2HH2 ARG 5 -0.830 2.776 -8.754 54 H ARG 6 H ARG 6 -0.643 -2.763 -6.638 55 HA ARG 6 HA ARG 6 1.095 -4.134 -4.698 56 HB2 ARG 6 1HB ARG 6 2.077 -5.472 -6.526 57 HB3 ARG 6 2HB ARG 6 0.378 -5.831 -6.259 58 HG2 ARG 6 1HG ARG 6 -0.198 -4.411 -8.201 59 HG3 ARG 6 2HG ARG 6 1.526 -4.151 -8.487 60 HD2 ARG 6 1HD ARG 6 0.611 -5.927 -9.923 61 HD3 ARG 6 2HD ARG 6 1.858 -6.535 -8.831 62 HE ARG 6 HE ARG 6 -0.918 -6.801 -7.964 63 HH11 ARG 6 1HH1 ARG 6 1.922 -8.327 -9.337 64 HH12 ARG 6 2HH1 ARG 6 1.366 -9.938 -9.011 65 HH21 ARG 6 1HH2 ARG 6 -1.668 -8.906 -7.550 66 HH22 ARG 6 2HH2 ARG 6 -0.690 -10.270 -7.998 67 H TYR 7 H TYR 7 3.339 -3.780 -4.977 68 HA TYR 7 HA TYR 7 4.181 -1.545 -6.645 69 HB2 TYR 7 2HB TYR 7 3.307 -0.438 -4.650 70 HB3 TYR 7 1HB TYR 7 4.231 -1.510 -3.608 71 HD1 TYR 7 1HD TYR 7 6.625 -1.166 -3.278 72 HD2 TYR 7 2HD TYR 7 4.383 1.425 -5.805 73 HE1 TYR 7 1HE TYR 7 8.458 0.469 -3.222 74 HE2 TYR 7 2HE TYR 7 6.213 3.063 -5.755 75 HH TYR 7 HH TYR 7 9.319 2.333 -4.461 76 H ARG 8 H ARG 8 6.372 -1.664 -7.121 77 HA ARG 8 HA ARG 8 7.831 -3.900 -5.866 78 HB2 ARG 8 1HB ARG 8 9.074 -4.177 -7.928 79 HB3 ARG 8 2HB ARG 8 7.349 -4.268 -8.250 80 HG2 ARG 8 1HG ARG 8 7.371 -1.992 -9.129 81 HG3 ARG 8 2HG ARG 8 9.089 -1.851 -8.751 82 HD2 ARG 8 1HD ARG 8 7.817 -3.736 -10.742 83 HD3 ARG 8 2HD ARG 8 8.825 -2.336 -11.100 84 HE ARG 8 HE ARG 8 9.904 -4.622 -9.584 85 HH11 ARG 8 1HH1 ARG 8 10.072 -2.448 -12.330 86 HH12 ARG 8 2HH1 ARG 8 11.575 -3.096 -12.906 87 HH21 ARG 8 1HH2 ARG 8 11.862 -5.477 -10.336 88 HH22 ARG 8 2HH2 ARG 8 12.594 -4.835 -11.777 89 H GLY 9 H GLY 9 9.737 -3.526 -4.920 90 HA2 GLY 9 1HA GLY 9 11.726 -1.776 -5.452 91 HA3 GLY 9 2HA GLY 9 10.584 -0.789 -4.544 92 H SER 10 H SER 10 11.612 -0.544 -2.634 93 HA SER 10 HA SER 10 12.690 -2.894 -1.251 94 HB2 SER 10 1HB SER 10 12.812 0.033 -0.451 95 HB3 SER 10 2HB SER 10 13.737 -1.294 0.255 96 HG SER 10 HG SER 10 13.899 -0.418 -2.448 97 H GLU 11 H GLU 11 12.029 -3.415 0.893 98 HA GLU 11 HA GLU 11 9.333 -3.572 1.377 99 HB2 GLU 11 1HB GLU 11 11.606 -3.586 3.377 100 HB3 GLU 11 2HB GLU 11 9.952 -4.016 3.785 101 HG2 GLU 11 1HG GLU 11 11.183 -6.029 3.454 102 HG3 GLU 11 2HG GLU 11 10.068 -5.845 2.104 103 H GLU 12 H GLU 12 11.591 -1.140 2.632 104 HA GLU 12 HA GLU 12 9.882 0.312 4.266 105 HB2 GLU 12 1HB GLU 12 12.319 0.687 4.132 106 HB3 GLU 12 2HB GLU 12 12.133 1.353 2.517 107 HG2 GLU 12 1HG GLU 12 12.392 3.180 4.003 108 HG3 GLU 12 2HG GLU 12 10.702 3.153 3.507 109 H GLU 13 H GLU 13 10.587 0.778 0.814 110 HA GLU 13 HA GLU 13 8.876 2.942 0.339 111 HB2 GLU 13 1HB GLU 13 9.693 0.738 -1.574 112 HB3 GLU 13 2HB GLU 13 9.004 2.289 -2.034 113 HG2 GLU 13 1HG GLU 13 10.965 3.434 -1.121 114 HG3 GLU 13 2HG GLU 13 11.661 1.877 -0.666 115 H CYS 14 H CYS 14 8.334 -0.549 0.129 116 HA CYS 14 HA CYS 14 5.758 -0.521 -0.961 117 HB2 CYS 14 2HB CYS 14 6.995 -2.537 0.936 118 HB3 CYS 14 1HB CYS 14 5.556 -2.812 -0.041 119 H ARG 15 H ARG 15 6.809 -0.563 2.434 120 HA ARG 15 HA ARG 15 4.190 -0.679 3.510 121 HB2 ARG 15 1HB ARG 15 6.877 0.016 4.686 122 HB3 ARG 15 2HB ARG 15 5.404 0.104 5.644 123 HG2 ARG 15 1HG ARG 15 6.459 -2.361 4.258 124 HG3 ARG 15 2HG ARG 15 6.560 -2.014 5.987 125 HD2 ARG 15 1HD ARG 15 4.105 -1.973 6.111 126 HD3 ARG 15 2HD ARG 15 4.014 -2.343 4.390 127 HE ARG 15 HE ARG 15 5.487 -4.385 5.377 128 HH11 ARG 15 1HH1 ARG 15 2.399 -3.007 6.281 129 HH12 ARG 15 2HH1 ARG 15 1.751 -4.509 6.862 130 HH21 ARG 15 1HH2 ARG 15 4.641 -6.366 6.145 131 HH22 ARG 15 2HH2 ARG 15 3.027 -6.426 6.781 132 H LYS 16 H LYS 16 6.408 2.026 2.884 133 HA LYS 16 HA LYS 16 4.750 3.970 4.125 134 HB2 LYS 16 1HB LYS 16 6.921 4.294 2.042 135 HB3 LYS 16 2HB LYS 16 6.139 5.634 2.874 136 HG2 LYS 16 1HG LYS 16 7.859 3.477 4.096 137 HG3 LYS 16 2HG LYS 16 8.241 5.192 3.942 138 HD2 LYS 16 1HD LYS 16 5.995 4.041 5.618 139 HD3 LYS 16 2HD LYS 16 7.553 4.583 6.237 140 HE2 LYS 16 1HE LYS 16 7.081 6.855 5.503 141 HE3 LYS 16 2HE LYS 16 5.554 6.330 4.795 142 HZ1 LYS 16 1HZ LYS 16 6.208 6.106 7.683 143 HZ2 LYS 16 2HZ LYS 16 4.710 5.816 6.955 144 HZ3 LYS 16 3HZ LYS 16 5.335 7.384 7.005 145 H TYR 17 H TYR 17 5.017 2.800 0.795 146 HA TYR 17 HA TYR 17 3.177 4.614 -0.342 147 HB2 TYR 17 2HB TYR 17 4.735 3.063 -1.617 148 HB3 TYR 17 1HB TYR 17 3.621 1.751 -1.243 149 HD1 TYR 17 1HD TYR 17 1.246 1.872 -2.143 150 HD2 TYR 17 2HD TYR 17 4.300 4.567 -3.400 151 HE1 TYR 17 1HE TYR 17 -0.107 2.479 -4.108 152 HE2 TYR 17 2HE TYR 17 2.957 5.175 -5.366 153 HH TYR 17 HH TYR 17 -0.119 4.796 -5.677 154 H ALA 18 H ALA 18 2.806 1.426 1.148 155 HA ALA 18 HA ALA 18 0.053 1.095 0.762 156 HB1 ALA 18 1HB ALA 18 1.560 -0.690 1.538 157 HB2 ALA 18 2HB ALA 18 0.147 -0.516 2.579 158 HB3 ALA 18 3HB ALA 18 1.708 0.126 3.096 159 H GLU 19 H GLU 19 1.831 2.594 3.429 160 HA GLU 19 HA GLU 19 -0.371 3.170 5.071 161 HB2 GLU 19 1HB GLU 19 1.976 3.208 5.824 162 HB3 GLU 19 2HB GLU 19 2.270 4.634 4.838 163 HG2 GLU 19 1HG GLU 19 0.745 5.933 6.184 164 HG3 GLU 19 2HG GLU 19 0.298 4.504 7.116 165 H GLU 20 H GLU 20 1.368 5.236 2.749 166 HA GLU 20 HA GLU 20 -0.216 7.519 3.051 167 HB2 GLU 20 1HB GLU 20 1.404 6.523 0.702 168 HB3 GLU 20 2HB GLU 20 0.626 8.103 0.732 169 HG2 GLU 20 1HG GLU 20 2.701 7.143 2.702 170 HG3 GLU 20 2HG GLU 20 3.007 8.206 1.330 171 H LEU 21 H LEU 21 -0.536 4.788 0.818 172 HA LEU 21 HA LEU 21 -2.772 5.783 -0.593 173 HB2 LEU 21 1HB LEU 21 -1.306 3.933 -1.373 174 HB3 LEU 21 2HB LEU 21 -1.972 2.903 -0.120 175 HG LEU 21 HG LEU 21 -4.210 3.098 -1.174 176 HD11 LEU 21 1HD1 LEU 21 -3.933 5.270 -2.252 177 HD12 LEU 21 2HD1 LEU 21 -4.412 4.042 -3.423 178 HD13 LEU 21 3HD1 LEU 21 -2.735 4.585 -3.351 179 HD21 LEU 21 1HD2 LEU 21 -2.759 1.206 -1.709 180 HD22 LEU 21 2HD2 LEU 21 -2.033 2.125 -3.029 181 HD23 LEU 21 3HD2 LEU 21 -3.736 1.671 -3.100 182 H SER 22 H SER 22 -2.434 3.849 2.321 183 HA SER 22 HA SER 22 -5.132 3.125 2.661 184 HB2 SER 22 1HB SER 22 -3.291 2.008 3.850 185 HB3 SER 22 2HB SER 22 -2.943 3.492 4.732 186 HG SER 22 HG SER 22 -4.203 2.395 6.098 187 H ARG 23 H ARG 23 -3.246 5.866 3.914 188 HA ARG 23 HA ARG 23 -5.470 6.964 5.374 189 HB2 ARG 23 1HB ARG 23 -3.952 8.843 5.852 190 HB3 ARG 23 2HB ARG 23 -3.181 7.294 6.165 191 HG2 ARG 23 1HG ARG 23 -2.112 7.480 3.896 192 HG3 ARG 23 2HG ARG 23 -2.725 9.131 3.823 193 HD2 ARG 23 1HD ARG 23 -0.868 8.033 5.937 194 HD3 ARG 23 2HD ARG 23 -0.385 9.035 4.570 195 HE ARG 23 HE ARG 23 -2.379 10.133 6.399 196 HH11 ARG 23 1HH1 ARG 23 0.949 10.079 5.292 197 HH12 ARG 23 2HH1 ARG 23 1.363 11.567 6.087 198 HH21 ARG 23 1HH2 ARG 23 -1.840 12.089 7.433 199 HH22 ARG 23 2HH2 ARG 23 -0.225 12.714 7.304 200 H ARG 24 H ARG 24 -4.194 7.289 2.170 201 HA ARG 24 HA ARG 24 -5.440 9.802 1.572 202 HB2 ARG 24 1HB ARG 24 -3.454 9.092 0.356 203 HB3 ARG 24 2HB ARG 24 -4.291 7.661 -0.232 204 HG2 ARG 24 1HG ARG 24 -5.863 9.134 -1.458 205 HG3 ARG 24 2HG ARG 24 -4.915 10.528 -0.935 206 HD2 ARG 24 1HD ARG 24 -2.958 9.654 -2.107 207 HD3 ARG 24 2HD ARG 24 -3.868 8.220 -2.586 208 HE ARG 24 HE ARG 24 -5.034 10.729 -3.415 209 HH11 ARG 24 1HH1 ARG 24 -2.845 8.135 -4.292 210 HH12 ARG 24 2HH1 ARG 24 -2.965 8.441 -5.992 211 HH21 ARG 24 1HH2 ARG 24 -5.196 11.124 -5.643 212 HH22 ARG 24 2HH2 ARG 24 -4.296 10.149 -6.765 213 H THR 25 H THR 25 -6.213 6.409 0.847 214 HA THR 25 HA THR 25 -8.502 7.104 -0.747 215 HB THR 25 HB THR 25 -7.725 4.380 0.326 216 HG1 THR 25 1HG THR 25 -6.003 4.957 -0.871 217 HG21 THR 25 1HG2 THR 25 -10.006 4.478 -0.568 218 HG22 THR 25 2HG2 THR 25 -8.961 3.540 -1.636 219 HG23 THR 25 3HG2 THR 25 -9.403 5.195 -2.061 220 H GLY 26 H GLY 26 -10.613 7.162 -0.163 221 HA2 GLY 26 1HA GLY 26 -11.339 7.032 2.629 222 HA3 GLY 26 2HA GLY 26 -12.412 7.385 1.281 223 H CYS 27 H CYS 27 -10.470 4.661 2.468 224 HA CYS 27 HA CYS 27 -12.654 2.869 2.757 225 HB2 CYS 27 2HB CYS 27 -11.046 2.762 0.210 226 HB3 CYS 27 1HB CYS 27 -11.686 1.277 0.902 227 H GLU 28 H GLU 28 -11.369 0.441 2.472 228 HA GLU 28 HA GLU 28 -8.929 0.717 4.111 229 HB2 GLU 28 1HB GLU 28 -10.741 -0.475 5.275 230 HB3 GLU 28 2HB GLU 28 -10.893 -1.591 3.927 231 HG2 GLU 28 1HG GLU 28 -9.696 -2.608 5.784 232 HG3 GLU 28 2HG GLU 28 -8.667 -2.465 4.360 233 H VAL 29 H VAL 29 -7.316 0.713 2.657 234 HA VAL 29 HA VAL 29 -7.328 -1.354 0.555 235 HB VAL 29 HB VAL 29 -7.816 0.816 -0.461 236 HG11 VAL 29 1HG1 VAL 29 -6.210 2.658 -0.396 237 HG12 VAL 29 2HG1 VAL 29 -5.190 1.743 0.715 238 HG13 VAL 29 3HG1 VAL 29 -6.798 2.266 1.219 239 HG21 VAL 29 1HG2 VAL 29 -6.503 -0.781 -1.759 240 HG22 VAL 29 2HG2 VAL 29 -5.008 -0.139 -1.076 241 HG23 VAL 29 3HG2 VAL 29 -6.002 0.870 -2.127 242 H GLU 30 H GLU 30 -5.484 -2.452 0.252 243 HA GLU 30 HA GLU 30 -3.136 -1.694 1.857 244 HB2 GLU 30 1HB GLU 30 -4.193 -4.439 1.157 245 HB3 GLU 30 2HB GLU 30 -2.574 -4.169 1.795 246 HG2 GLU 30 1HG GLU 30 -3.407 -3.358 3.839 247 HG3 GLU 30 2HG GLU 30 -5.027 -3.220 3.189 248 H VAL 31 H VAL 31 -1.250 -3.080 0.989 249 HA VAL 31 HA VAL 31 -1.082 -2.928 -1.940 250 HB VAL 31 HB VAL 31 0.872 -1.537 -0.080 251 HG11 VAL 31 1HG1 VAL 31 1.014 -1.888 -3.079 252 HG12 VAL 31 2HG1 VAL 31 2.097 -2.608 -1.887 253 HG13 VAL 31 3HG1 VAL 31 2.080 -0.860 -2.119 254 HG21 VAL 31 1HG2 VAL 31 -0.945 -0.421 -2.225 255 HG22 VAL 31 2HG2 VAL 31 0.224 0.507 -1.284 256 HG23 VAL 31 3HG2 VAL 31 -1.158 -0.241 -0.483 257 H GLU 32 H GLU 32 0.634 -4.165 -2.823 258 HA GLU 32 HA GLU 32 1.685 -6.250 -1.018 259 HB2 GLU 32 1HB GLU 32 0.039 -6.762 -3.026 260 HB3 GLU 32 2HB GLU 32 1.478 -6.552 -4.013 261 HG2 GLU 32 1HG GLU 32 1.284 -8.863 -3.616 262 HG3 GLU 32 2HG GLU 32 2.585 -8.300 -2.565 263 H CYS 33 H CYS 33 3.899 -6.907 -1.411 264 HA CYS 33 HA CYS 33 5.469 -4.721 -2.626 265 HB2 CYS 33 2HB CYS 33 5.610 -4.897 -0.141 266 HB3 CYS 33 1HB CYS 33 6.270 -6.518 -0.322 267 H GLU 34 H GLU 34 6.738 -5.213 -4.240 268 HA GLU 34 HA GLU 34 7.698 -7.975 -4.612 269 HB2 GLU 34 1HB GLU 34 6.756 -6.105 -6.811 270 HB3 GLU 34 2HB GLU 34 7.388 -7.730 -7.038 271 HG2 GLU 34 1HG GLU 34 5.459 -8.657 -5.866 272 HG3 GLU 34 2HG GLU 34 4.839 -7.031 -5.586 273 H THR 35 H THR 35 9.492 -7.790 -6.494 274 HA THR 35 HA THR 35 10.963 -5.310 -6.394 275 HB THR 35 HB THR 35 11.838 -6.243 -4.380 276 HG1 THR 35 1HG THR 35 13.792 -5.765 -4.956 277 HG21 THR 35 1HG2 THR 35 11.170 -8.568 -4.645 278 HG22 THR 35 2HG2 THR 35 12.885 -8.464 -4.246 279 HG23 THR 35 3HG2 THR 35 12.385 -8.793 -5.904 Start of MODEL 3 1 H1 CYS 1 1H CYS 1 -14.807 -2.147 2.431 2 H2 CYS 1 2H CYS 1 -15.829 -0.812 2.274 3 H3 CYS 1 3H CYS 1 -14.413 -0.688 3.187 4 HA CYS 1 HA CYS 1 -14.562 -1.141 0.268 5 HB2 CYS 1 2HB CYS 1 -15.171 1.149 0.894 6 HB3 CYS 1 1HB CYS 1 -13.724 1.285 1.884 7 H LYS 2 H LYS 2 -12.902 -2.368 -0.358 8 HA LYS 2 HA LYS 2 -10.298 -2.085 1.015 9 HB2 LYS 2 1HB LYS 2 -11.154 -4.267 1.561 10 HB3 LYS 2 2HB LYS 2 -11.633 -4.561 -0.105 11 HG2 LYS 2 1HG LYS 2 -9.723 -5.819 0.029 12 HG3 LYS 2 2HG LYS 2 -9.090 -4.306 -0.604 13 HD2 LYS 2 1HD LYS 2 -7.595 -5.020 1.097 14 HD3 LYS 2 2HD LYS 2 -8.516 -3.671 1.769 15 HE2 LYS 2 1HE LYS 2 -9.876 -5.138 3.067 16 HE3 LYS 2 2HE LYS 2 -9.269 -6.558 2.213 17 HZ1 LYS 2 1HZ LYS 2 -7.578 -4.802 3.900 18 HZ2 LYS 2 2HZ LYS 2 -7.144 -6.289 3.219 19 HZ3 LYS 2 3HZ LYS 2 -8.301 -6.226 4.451 20 H GLN 3 H GLN 3 -8.558 -1.695 -0.269 21 HA GLN 3 HA GLN 3 -8.888 -1.995 -3.196 22 HB2 GLN 3 1HB GLN 3 -7.178 0.076 -1.794 23 HB3 GLN 3 2HB GLN 3 -7.464 -0.061 -3.522 24 HG2 GLN 3 1HG GLN 3 -9.793 0.547 -3.214 25 HG3 GLN 3 2HG GLN 3 -9.567 0.607 -1.464 26 HE21 GLN 3 1HE2 GLN 3 -8.001 3.736 -1.438 27 HE22 GLN 3 2HE2 GLN 3 -8.293 2.268 -0.579 28 H ARG 4 H ARG 4 -7.494 -3.429 -4.024 29 HA ARG 4 HA ARG 4 -5.054 -4.043 -2.482 30 HB2 ARG 4 1HB ARG 4 -6.672 -5.848 -4.296 31 HB3 ARG 4 2HB ARG 4 -5.108 -6.277 -3.612 32 HG2 ARG 4 1HG ARG 4 -6.142 -5.909 -1.335 33 HG3 ARG 4 2HG ARG 4 -7.701 -5.816 -2.157 34 HD2 ARG 4 1HD ARG 4 -7.314 -8.067 -1.322 35 HD3 ARG 4 2HD ARG 4 -7.331 -8.063 -3.087 36 HE ARG 4 HE ARG 4 -4.693 -7.778 -2.023 37 HH11 ARG 4 1HH1 ARG 4 -7.180 -10.144 -2.705 38 HH12 ARG 4 2HH1 ARG 4 -6.051 -11.446 -2.929 39 HH21 ARG 4 1HH2 ARG 4 -3.206 -9.493 -2.307 40 HH22 ARG 4 2HH2 ARG 4 -3.798 -11.077 -2.692 41 H ARG 5 H ARG 5 -3.175 -3.641 -3.406 42 HA ARG 5 HA ARG 5 -3.011 -3.511 -6.344 43 HB2 ARG 5 1HB ARG 5 -1.987 -1.477 -4.364 44 HB3 ARG 5 2HB ARG 5 -1.260 -1.647 -5.954 45 HG2 ARG 5 1HG ARG 5 -3.537 -1.221 -6.935 46 HG3 ARG 5 2HG ARG 5 -4.085 -0.827 -5.304 47 HD2 ARG 5 1HD ARG 5 -2.554 1.002 -5.149 48 HD3 ARG 5 2HD ARG 5 -1.737 0.519 -6.636 49 HE ARG 5 HE ARG 5 -4.543 1.169 -6.935 50 HH11 ARG 5 1HH1 ARG 5 -1.253 2.406 -6.987 51 HH12 ARG 5 2HH1 ARG 5 -1.657 3.753 -8.007 52 HH21 ARG 5 1HH2 ARG 5 -5.047 2.947 -8.262 53 HH22 ARG 5 2HH2 ARG 5 -3.795 4.061 -8.724 54 H ARG 6 H ARG 6 -0.996 -4.040 -7.221 55 HA ARG 6 HA ARG 6 0.916 -5.282 -5.352 56 HB2 ARG 6 1HB ARG 6 1.683 -6.595 -7.373 57 HB3 ARG 6 2HB ARG 6 0.078 -6.995 -6.778 58 HG2 ARG 6 1HG ARG 6 -0.889 -5.557 -8.560 59 HG3 ARG 6 2HG ARG 6 0.744 -5.313 -9.192 60 HD2 ARG 6 1HD ARG 6 0.973 -7.707 -9.581 61 HD3 ARG 6 2HD ARG 6 -0.626 -7.989 -8.887 62 HE ARG 6 HE ARG 6 -0.463 -6.204 -11.187 63 HH11 ARG 6 1HH1 ARG 6 -1.226 -9.393 -9.959 64 HH12 ARG 6 2HH1 ARG 6 -2.183 -9.833 -11.336 65 HH21 ARG 6 1HH2 ARG 6 -1.725 -6.762 -12.981 66 HH22 ARG 6 2HH2 ARG 6 -2.478 -8.326 -13.062 67 H TYR 7 H TYR 7 2.904 -4.458 -5.283 68 HA TYR 7 HA TYR 7 3.574 -2.255 -7.124 69 HB2 TYR 7 2HB TYR 7 2.451 -1.491 -4.986 70 HB3 TYR 7 1HB TYR 7 3.804 -2.171 -4.094 71 HD1 TYR 7 1HD TYR 7 5.900 -0.991 -3.947 72 HD2 TYR 7 2HD TYR 7 2.771 0.489 -6.427 73 HE1 TYR 7 1HE TYR 7 7.085 1.153 -4.158 74 HE2 TYR 7 2HE TYR 7 3.952 2.633 -6.649 75 HH TYR 7 HH TYR 7 7.192 3.060 -5.688 76 H ARG 8 H ARG 8 5.872 -1.815 -7.264 77 HA ARG 8 HA ARG 8 7.556 -3.922 -6.053 78 HB2 ARG 8 1HB ARG 8 9.167 -3.587 -7.858 79 HB3 ARG 8 2HB ARG 8 7.592 -4.009 -8.513 80 HG2 ARG 8 1HG ARG 8 7.328 -2.011 -9.551 81 HG3 ARG 8 2HG ARG 8 8.175 -1.114 -8.289 82 HD2 ARG 8 1HD ARG 8 9.498 -2.891 -10.348 83 HD3 ARG 8 2HD ARG 8 9.403 -1.130 -10.433 84 HE ARG 8 HE ARG 8 10.614 -1.285 -8.152 85 HH11 ARG 8 1HH1 ARG 8 11.172 -3.397 -10.894 86 HH12 ARG 8 2HH1 ARG 8 12.805 -3.762 -10.439 87 HH21 ARG 8 1HH2 ARG 8 12.764 -1.763 -7.564 88 HH22 ARG 8 2HH2 ARG 8 13.705 -2.850 -8.540 89 H GLY 9 H GLY 9 9.087 -3.307 -4.642 90 HA2 GLY 9 1HA GLY 9 10.628 -1.026 -4.647 91 HA3 GLY 9 2HA GLY 9 9.158 -0.558 -3.804 92 H SER 10 H SER 10 11.517 -0.397 -2.527 93 HA SER 10 HA SER 10 12.305 -2.635 -1.027 94 HB2 SER 10 1HB SER 10 12.413 0.271 -0.158 95 HB3 SER 10 2HB SER 10 13.466 -1.041 0.374 96 HG SER 10 HG SER 10 14.150 -1.201 -1.863 97 H GLU 11 H GLU 11 11.926 -3.029 1.264 98 HA GLU 11 HA GLU 11 9.306 -3.359 2.016 99 HB2 GLU 11 1HB GLU 11 11.640 -2.869 3.892 100 HB3 GLU 11 2HB GLU 11 10.132 -3.680 4.303 101 HG2 GLU 11 1HG GLU 11 10.652 -5.499 2.796 102 HG3 GLU 11 2HG GLU 11 12.109 -4.670 2.252 103 H GLU 12 H GLU 12 11.455 -0.661 2.877 104 HA GLU 12 HA GLU 12 9.754 0.836 4.437 105 HB2 GLU 12 1HB GLU 12 11.975 1.620 2.544 106 HB3 GLU 12 2HB GLU 12 11.242 2.695 3.701 107 HG2 GLU 12 1HG GLU 12 11.995 1.321 5.544 108 HG3 GLU 12 2HG GLU 12 12.671 0.156 4.403 109 H GLU 13 H GLU 13 10.343 1.005 0.927 110 HA GLU 13 HA GLU 13 8.604 3.097 0.317 111 HB2 GLU 13 1HB GLU 13 9.249 0.698 -1.422 112 HB3 GLU 13 2HB GLU 13 8.633 2.247 -1.982 113 HG2 GLU 13 1HG GLU 13 11.317 1.748 -0.705 114 HG3 GLU 13 2HG GLU 13 11.013 2.050 -2.413 115 H CYS 14 H CYS 14 8.045 -0.358 0.616 116 HA CYS 14 HA CYS 14 5.366 -0.423 -0.256 117 HB2 CYS 14 2HB CYS 14 6.889 -2.402 -0.007 118 HB3 CYS 14 1HB CYS 14 6.711 -2.273 1.735 119 H ARG 15 H ARG 15 6.823 0.006 2.963 120 HA ARG 15 HA ARG 15 4.452 0.121 4.477 121 HB2 ARG 15 1HB ARG 15 7.030 1.645 4.968 122 HB3 ARG 15 2HB ARG 15 5.767 1.353 6.154 123 HG2 ARG 15 1HG ARG 15 7.512 -0.739 4.862 124 HG3 ARG 15 2HG ARG 15 7.660 -0.119 6.507 125 HD2 ARG 15 1HD ARG 15 5.328 -0.960 6.928 126 HD3 ARG 15 2HD ARG 15 5.404 -1.752 5.350 127 HE ARG 15 HE ARG 15 7.465 -2.322 7.360 128 HH11 ARG 15 1HH1 ARG 15 4.787 -3.448 5.390 129 HH12 ARG 15 2HH1 ARG 15 5.061 -5.118 5.774 130 HH21 ARG 15 1HH2 ARG 15 7.837 -4.496 7.828 131 HH22 ARG 15 2HH2 ARG 15 6.815 -5.721 7.146 132 H LYS 16 H LYS 16 6.398 2.707 3.050 133 HA LYS 16 HA LYS 16 4.868 4.895 3.857 134 HB2 LYS 16 1HB LYS 16 6.518 4.633 1.327 135 HB3 LYS 16 2HB LYS 16 6.047 6.135 2.110 136 HG2 LYS 16 1HG LYS 16 7.457 5.684 3.992 137 HG3 LYS 16 2HG LYS 16 7.796 4.052 3.415 138 HD2 LYS 16 1HD LYS 16 9.685 5.467 2.918 139 HD3 LYS 16 2HD LYS 16 8.882 5.030 1.409 140 HE2 LYS 16 1HE LYS 16 9.438 7.348 1.301 141 HE3 LYS 16 2HE LYS 16 7.691 7.229 1.499 142 HZ1 LYS 16 1HZ LYS 16 7.997 7.660 3.877 143 HZ2 LYS 16 2HZ LYS 16 8.584 8.930 2.930 144 HZ3 LYS 16 3HZ LYS 16 9.663 7.835 3.636 145 H TYR 17 H TYR 17 4.777 3.029 0.837 146 HA TYR 17 HA TYR 17 2.785 4.557 -0.435 147 HB2 TYR 17 2HB TYR 17 4.257 2.976 -1.636 148 HB3 TYR 17 1HB TYR 17 3.461 1.627 -0.835 149 HD1 TYR 17 1HD TYR 17 1.312 0.830 -1.581 150 HD2 TYR 17 2HD TYR 17 3.037 4.314 -3.327 151 HE1 TYR 17 1HE TYR 17 -0.378 0.768 -3.367 152 HE2 TYR 17 2HE TYR 17 1.352 4.258 -5.113 153 HH TYR 17 HH TYR 17 -1.437 2.544 -4.944 154 H ALA 18 H ALA 18 2.598 1.612 1.542 155 HA ALA 18 HA ALA 18 -0.151 1.141 1.291 156 HB1 ALA 18 1HB ALA 18 0.055 -0.208 3.309 157 HB2 ALA 18 2HB ALA 18 1.608 0.542 3.676 158 HB3 ALA 18 3HB ALA 18 1.439 -0.478 2.247 159 H GLU 19 H GLU 19 1.609 2.954 3.822 160 HA GLU 19 HA GLU 19 -0.675 3.713 5.282 161 HB2 GLU 19 1HB GLU 19 1.589 3.857 6.228 162 HB3 GLU 19 2HB GLU 19 1.991 5.139 5.091 163 HG2 GLU 19 1HG GLU 19 0.252 6.561 6.093 164 HG3 GLU 19 2HG GLU 19 -0.114 5.283 7.247 165 H GLU 20 H GLU 20 1.216 5.501 2.855 166 HA GLU 20 HA GLU 20 -0.160 7.876 2.816 167 HB2 GLU 20 1HB GLU 20 1.753 6.548 1.162 168 HB3 GLU 20 2HB GLU 20 0.509 7.200 0.106 169 HG2 GLU 20 1HG GLU 20 2.023 8.784 2.172 170 HG3 GLU 20 2HG GLU 20 2.406 8.724 0.454 171 H LEU 21 H LEU 21 -0.865 4.956 0.909 172 HA LEU 21 HA LEU 21 -3.089 6.139 -0.428 173 HB2 LEU 21 1HB LEU 21 -1.717 4.251 -1.317 174 HB3 LEU 21 2HB LEU 21 -2.432 3.206 -0.104 175 HG LEU 21 HG LEU 21 -4.644 3.492 -1.119 176 HD11 LEU 21 1HD1 LEU 21 -4.927 4.696 -3.224 177 HD12 LEU 21 2HD1 LEU 21 -3.240 5.210 -3.170 178 HD13 LEU 21 3HD1 LEU 21 -4.375 5.781 -1.948 179 HD21 LEU 21 1HD2 LEU 21 -2.542 2.759 -3.165 180 HD22 LEU 21 2HD2 LEU 21 -4.241 2.286 -3.198 181 HD23 LEU 21 3HD2 LEU 21 -3.184 1.687 -1.920 182 H SER 22 H SER 22 -2.717 4.131 2.454 183 HA SER 22 HA SER 22 -5.464 3.527 2.804 184 HB2 SER 22 1HB SER 22 -3.598 2.263 3.892 185 HB3 SER 22 2HB SER 22 -3.309 3.652 4.938 186 HG SER 22 HG SER 22 -5.852 3.158 5.182 187 H ARG 23 H ARG 23 -3.422 6.189 3.935 188 HA ARG 23 HA ARG 23 -5.552 7.351 5.510 189 HB2 ARG 23 1HB ARG 23 -3.989 9.208 5.911 190 HB3 ARG 23 2HB ARG 23 -3.248 7.653 6.257 191 HG2 ARG 23 1HG ARG 23 -1.610 8.008 4.786 192 HG3 ARG 23 2HG ARG 23 -2.753 8.432 3.516 193 HD2 ARG 23 1HD ARG 23 -1.724 10.298 5.657 194 HD3 ARG 23 2HD ARG 23 -1.187 10.257 3.976 195 HE ARG 23 HE ARG 23 -3.936 10.964 4.814 196 HH11 ARG 23 1HH1 ARG 23 -1.207 11.328 2.646 197 HH12 ARG 23 2HH1 ARG 23 -1.922 12.643 1.765 198 HH21 ARG 23 1HH2 ARG 23 -4.896 12.661 3.636 199 HH22 ARG 23 2HH2 ARG 23 -4.033 13.389 2.315 200 H ARG 24 H ARG 24 -4.160 7.747 2.328 201 HA ARG 24 HA ARG 24 -5.242 10.269 1.682 202 HB2 ARG 24 1HB ARG 24 -3.413 9.183 0.424 203 HB3 ARG 24 2HB ARG 24 -4.538 7.963 -0.153 204 HG2 ARG 24 1HG ARG 24 -5.839 9.798 -1.255 205 HG3 ARG 24 2HG ARG 24 -4.542 10.905 -0.802 206 HD2 ARG 24 1HD ARG 24 -4.286 8.465 -2.563 207 HD3 ARG 24 2HD ARG 24 -4.265 10.145 -3.095 208 HE ARG 24 HE ARG 24 -2.226 9.735 -1.184 209 HH11 ARG 24 1HH1 ARG 24 -3.037 8.961 -4.504 210 HH12 ARG 24 2HH1 ARG 24 -1.381 8.823 -5.011 211 HH21 ARG 24 1HH2 ARG 24 -0.044 9.551 -1.848 212 HH22 ARG 24 2HH2 ARG 24 0.315 9.173 -3.506 213 H THR 25 H THR 25 -6.388 6.977 1.026 214 HA THR 25 HA THR 25 -8.997 8.069 0.197 215 HB THR 25 HB THR 25 -9.398 5.791 -0.758 216 HG1 THR 25 1HG THR 25 -7.152 5.241 0.649 217 HG21 THR 25 1HG2 THR 25 -6.871 7.137 -1.747 218 HG22 THR 25 2HG2 THR 25 -8.516 7.597 -2.182 219 HG23 THR 25 3HG2 THR 25 -7.883 6.026 -2.672 220 H GLY 26 H GLY 26 -10.765 7.726 1.423 221 HA2 GLY 26 1HA GLY 26 -10.535 6.578 4.030 222 HA3 GLY 26 2HA GLY 26 -12.010 7.163 3.273 223 H CYS 27 H CYS 27 -9.736 4.457 3.211 224 HA CYS 27 HA CYS 27 -11.893 2.530 3.170 225 HB2 CYS 27 2HB CYS 27 -9.984 2.822 0.832 226 HB3 CYS 27 1HB CYS 27 -10.920 1.367 1.128 227 H GLU 28 H GLU 28 -10.482 0.288 2.516 228 HA GLU 28 HA GLU 28 -8.211 0.251 4.381 229 HB2 GLU 28 1HB GLU 28 -10.115 -1.178 5.083 230 HB3 GLU 28 2HB GLU 28 -10.064 -2.005 3.531 231 HG2 GLU 28 1HG GLU 28 -9.015 -3.326 5.288 232 HG3 GLU 28 2HG GLU 28 -7.856 -2.878 4.037 233 H VAL 29 H VAL 29 -6.278 -0.229 3.489 234 HA VAL 29 HA VAL 29 -6.305 -0.970 0.631 235 HB VAL 29 HB VAL 29 -4.376 0.814 2.113 236 HG11 VAL 29 1HG1 VAL 29 -4.304 -0.108 -0.761 237 HG12 VAL 29 2HG1 VAL 29 -3.135 -0.512 0.496 238 HG13 VAL 29 3HG1 VAL 29 -3.275 1.150 -0.074 239 HG21 VAL 29 1HG2 VAL 29 -6.492 1.888 1.567 240 HG22 VAL 29 2HG2 VAL 29 -6.320 1.396 -0.117 241 HG23 VAL 29 3HG2 VAL 29 -5.186 2.550 0.584 242 H GLU 30 H GLU 30 -4.890 -2.447 -0.106 243 HA GLU 30 HA GLU 30 -3.216 -3.881 1.828 244 HB2 GLU 30 1HB GLU 30 -5.540 -4.901 1.492 245 HB3 GLU 30 2HB GLU 30 -5.041 -5.257 -0.154 246 HG2 GLU 30 1HG GLU 30 -3.369 -6.766 0.584 247 HG3 GLU 30 2HG GLU 30 -3.540 -6.239 2.260 248 H VAL 31 H VAL 31 -1.232 -3.920 1.038 249 HA VAL 31 HA VAL 31 -0.849 -3.665 -1.872 250 HB VAL 31 HB VAL 31 0.978 -2.694 0.344 251 HG11 VAL 31 1HG1 VAL 31 2.241 -1.586 -1.441 252 HG12 VAL 31 2HG1 VAL 31 1.165 -2.295 -2.647 253 HG13 VAL 31 3HG1 VAL 31 2.207 -3.334 -1.674 254 HG21 VAL 31 1HG2 VAL 31 -0.809 -1.104 -1.507 255 HG22 VAL 31 2HG2 VAL 31 0.320 -0.433 -0.330 256 HG23 VAL 31 3HG2 VAL 31 -1.077 -1.364 0.217 257 H GLU 32 H GLU 32 0.322 -5.139 -2.862 258 HA GLU 32 HA GLU 32 1.804 -7.135 -1.270 259 HB2 GLU 32 1HB GLU 32 -0.260 -7.834 -2.655 260 HB3 GLU 32 2HB GLU 32 0.723 -7.510 -4.076 261 HG2 GLU 32 1HG GLU 32 2.309 -9.210 -3.408 262 HG3 GLU 32 2HG GLU 32 1.420 -9.486 -1.909 263 H CYS 33 H CYS 33 3.993 -6.947 -1.518 264 HA CYS 33 HA CYS 33 4.867 -5.130 -3.666 265 HB2 CYS 33 2HB CYS 33 5.870 -5.379 -0.824 266 HB3 CYS 33 1HB CYS 33 6.601 -4.346 -2.052 267 H GLU 34 H GLU 34 6.559 -5.604 -4.873 268 HA GLU 34 HA GLU 34 8.132 -8.041 -4.353 269 HB2 GLU 34 1HB GLU 34 7.025 -7.210 -7.057 270 HB3 GLU 34 2HB GLU 34 7.944 -8.666 -6.702 271 HG2 GLU 34 1HG GLU 34 6.128 -9.564 -5.409 272 HG3 GLU 34 2HG GLU 34 5.224 -8.056 -5.561 273 H THR 35 H THR 35 9.989 -8.048 -6.125 274 HA THR 35 HA THR 35 10.954 -5.301 -6.550 275 HB THR 35 HB THR 35 12.489 -6.343 -5.042 276 HG1 THR 35 1HG THR 35 13.726 -6.639 -7.583 277 HG21 THR 35 1HG2 THR 35 11.884 -8.695 -5.397 278 HG22 THR 35 2HG2 THR 35 13.632 -8.465 -5.494 279 HG23 THR 35 3HG2 THR 35 12.683 -8.669 -6.968 Start of MODEL 4 1 H1 CYS 1 1H CYS 1 -15.002 -0.980 1.305 2 H2 CYS 1 2H CYS 1 -15.705 0.533 1.033 3 H3 CYS 1 3H CYS 1 -14.525 0.347 2.231 4 HA CYS 1 HA CYS 1 -14.083 -0.029 -0.665 5 HB2 CYS 1 2HB CYS 1 -14.517 2.308 -0.056 6 HB3 CYS 1 1HB CYS 1 -13.234 2.230 1.136 7 H LYS 2 H LYS 2 -12.948 -1.861 -0.440 8 HA LYS 2 HA LYS 2 -10.279 -1.613 0.784 9 HB2 LYS 2 1HB LYS 2 -11.612 -3.182 2.133 10 HB3 LYS 2 2HB LYS 2 -11.989 -4.120 0.694 11 HG2 LYS 2 1HG LYS 2 -9.580 -4.633 0.432 12 HG3 LYS 2 2HG LYS 2 -9.253 -3.748 1.923 13 HD2 LYS 2 1HD LYS 2 -10.661 -5.324 3.172 14 HD3 LYS 2 2HD LYS 2 -11.019 -6.192 1.679 15 HE2 LYS 2 1HE LYS 2 -9.300 -7.365 2.927 16 HE3 LYS 2 2HE LYS 2 -8.628 -6.723 1.430 17 HZ1 LYS 2 1HZ LYS 2 -8.331 -5.485 4.120 18 HZ2 LYS 2 2HZ LYS 2 -7.662 -4.903 2.680 19 HZ3 LYS 2 3HZ LYS 2 -7.141 -6.383 3.311 20 H GLN 3 H GLN 3 -8.648 -1.973 -0.594 21 HA GLN 3 HA GLN 3 -9.129 -3.526 -3.051 22 HB2 GLN 3 1HB GLN 3 -9.377 -1.083 -3.562 23 HB3 GLN 3 2HB GLN 3 -7.732 -0.838 -3.000 24 HG2 GLN 3 1HG GLN 3 -7.564 -0.912 -5.330 25 HG3 GLN 3 2HG GLN 3 -7.030 -2.506 -4.799 26 HE21 GLN 3 1HE2 GLN 3 -9.644 -4.234 -6.378 27 HE22 GLN 3 2HE2 GLN 3 -8.351 -4.308 -5.238 28 H ARG 4 H ARG 4 -7.288 -4.576 -3.821 29 HA ARG 4 HA ARG 4 -4.930 -4.413 -2.066 30 HB2 ARG 4 1HB ARG 4 -4.480 -6.718 -2.456 31 HB3 ARG 4 2HB ARG 4 -6.182 -6.595 -2.041 32 HG2 ARG 4 1HG ARG 4 -6.694 -6.693 -4.496 33 HG3 ARG 4 2HG ARG 4 -4.987 -7.040 -4.771 34 HD2 ARG 4 1HD ARG 4 -6.993 -8.698 -3.251 35 HD3 ARG 4 2HD ARG 4 -6.130 -9.130 -4.727 36 HE ARG 4 HE ARG 4 -4.361 -8.603 -2.539 37 HH11 ARG 4 1HH1 ARG 4 -6.382 -11.066 -3.996 38 HH12 ARG 4 2HH1 ARG 4 -5.563 -12.373 -3.205 39 HH21 ARG 4 1HH2 ARG 4 -3.291 -10.315 -1.510 40 HH22 ARG 4 2HH2 ARG 4 -3.802 -11.951 -1.796 41 H ARG 5 H ARG 5 -2.912 -4.281 -2.964 42 HA ARG 5 HA ARG 5 -2.735 -3.861 -5.880 43 HB2 ARG 5 1HB ARG 5 -1.421 -2.091 -3.797 44 HB3 ARG 5 2HB ARG 5 -1.393 -1.866 -5.537 45 HG2 ARG 5 1HG ARG 5 -3.992 -1.821 -4.048 46 HG3 ARG 5 2HG ARG 5 -2.950 -0.401 -4.068 47 HD2 ARG 5 1HD ARG 5 -4.570 -0.178 -5.814 48 HD3 ARG 5 2HD ARG 5 -2.998 -0.468 -6.553 49 HE ARG 5 HE ARG 5 -4.209 -2.944 -6.328 50 HH11 ARG 5 1HH1 ARG 5 -4.983 0.101 -7.864 51 HH12 ARG 5 2HH1 ARG 5 -5.801 -0.641 -9.204 52 HH21 ARG 5 1HH2 ARG 5 -5.260 -3.922 -8.108 53 HH22 ARG 5 2HH2 ARG 5 -5.932 -2.922 -9.357 54 H ARG 6 H ARG 6 -0.463 -3.975 -6.644 55 HA ARG 6 HA ARG 6 1.399 -5.176 -4.715 56 HB2 ARG 6 1HB ARG 6 0.548 -6.984 -6.173 57 HB3 ARG 6 2HB ARG 6 1.080 -6.086 -7.590 58 HG2 ARG 6 1HG ARG 6 3.381 -6.328 -6.977 59 HG3 ARG 6 2HG ARG 6 2.946 -6.995 -5.403 60 HD2 ARG 6 1HD ARG 6 3.665 -8.772 -6.880 61 HD3 ARG 6 2HD ARG 6 1.946 -8.945 -6.527 62 HE ARG 6 HE ARG 6 2.151 -7.499 -8.888 63 HH11 ARG 6 1HH1 ARG 6 3.066 -10.677 -7.743 64 HH12 ARG 6 2HH1 ARG 6 2.844 -11.434 -9.290 65 HH21 ARG 6 1HH2 ARG 6 1.893 -8.491 -10.929 66 HH22 ARG 6 2HH2 ARG 6 2.185 -10.190 -11.100 67 H TYR 7 H TYR 7 3.134 -3.984 -4.533 68 HA TYR 7 HA TYR 7 3.858 -2.135 -6.716 69 HB2 TYR 7 2HB TYR 7 2.850 -1.171 -4.546 70 HB3 TYR 7 1HB TYR 7 4.350 -1.657 -3.766 71 HD1 TYR 7 1HD TYR 7 6.313 -0.307 -3.971 72 HD2 TYR 7 2HD TYR 7 2.914 0.507 -6.406 73 HE1 TYR 7 1HE TYR 7 7.328 1.823 -4.671 74 HE2 TYR 7 2HE TYR 7 3.922 2.630 -7.111 75 HH TYR 7 HH TYR 7 5.573 4.238 -6.312 76 H ARG 8 H ARG 8 6.140 -1.730 -6.965 77 HA ARG 8 HA ARG 8 7.871 -3.696 -5.635 78 HB2 ARG 8 1HB ARG 8 9.047 -4.141 -7.721 79 HB3 ARG 8 2HB ARG 8 7.345 -4.543 -7.880 80 HG2 ARG 8 1HG ARG 8 6.937 -2.535 -9.156 81 HG3 ARG 8 2HG ARG 8 8.595 -1.988 -8.887 82 HD2 ARG 8 1HD ARG 8 7.700 -4.395 -10.477 83 HD3 ARG 8 2HD ARG 8 8.455 -2.925 -11.097 84 HE ARG 8 HE ARG 8 10.069 -4.277 -9.147 85 HH11 ARG 8 1HH1 ARG 8 9.246 -4.169 -12.555 86 HH12 ARG 8 2HH1 ARG 8 10.708 -4.956 -13.053 87 HH21 ARG 8 1HH2 ARG 8 11.998 -5.268 -9.805 88 HH22 ARG 8 2HH2 ARG 8 12.288 -5.560 -11.493 89 H GLY 9 H GLY 9 9.955 -3.045 -5.231 90 HA2 GLY 9 1HA GLY 9 11.527 -1.069 -6.082 91 HA3 GLY 9 2HA GLY 9 10.343 -0.157 -5.151 92 H SER 10 H SER 10 9.907 -1.147 -2.920 93 HA SER 10 HA SER 10 11.843 -2.806 -1.696 94 HB2 SER 10 1HB SER 10 12.850 -1.195 -0.135 95 HB3 SER 10 2HB SER 10 13.225 -0.753 -1.799 96 HG SER 10 HG SER 10 11.832 0.924 -1.685 97 H GLU 11 H GLU 11 11.132 -3.505 0.332 98 HA GLU 11 HA GLU 11 8.417 -3.581 0.775 99 HB2 GLU 11 1HB GLU 11 10.650 -3.894 2.793 100 HB3 GLU 11 2HB GLU 11 8.980 -4.377 3.072 101 HG2 GLU 11 1HG GLU 11 9.093 -6.056 1.388 102 HG3 GLU 11 2HG GLU 11 10.649 -5.460 0.811 103 H GLU 12 H GLU 12 10.755 -1.260 2.018 104 HA GLU 12 HA GLU 12 9.067 0.004 3.887 105 HB2 GLU 12 1HB GLU 12 11.476 0.333 3.959 106 HB3 GLU 12 2HB GLU 12 11.450 1.102 2.376 107 HG2 GLU 12 1HG GLU 12 10.166 2.958 3.254 108 HG3 GLU 12 2HG GLU 12 10.056 2.175 4.828 109 H GLU 13 H GLU 13 9.970 1.122 0.571 110 HA GLU 13 HA GLU 13 8.182 3.303 0.648 111 HB2 GLU 13 1HB GLU 13 8.581 3.570 -1.724 112 HB3 GLU 13 2HB GLU 13 10.093 3.174 -0.924 113 HG2 GLU 13 1HG GLU 13 9.831 0.828 -1.678 114 HG3 GLU 13 2HG GLU 13 8.386 1.310 -2.568 115 H CYS 14 H CYS 14 7.754 -0.046 -0.152 116 HA CYS 14 HA CYS 14 5.243 0.143 -1.426 117 HB2 CYS 14 2HB CYS 14 6.419 -2.130 0.195 118 HB3 CYS 14 1HB CYS 14 5.002 -2.254 -0.845 119 H ARG 15 H ARG 15 6.061 -0.577 2.003 120 HA ARG 15 HA ARG 15 3.354 -0.614 2.843 121 HB2 ARG 15 1HB ARG 15 4.180 -0.499 5.127 122 HB3 ARG 15 2HB ARG 15 5.118 -1.653 4.192 123 HG2 ARG 15 1HG ARG 15 7.029 -0.377 4.262 124 HG3 ARG 15 2HG ARG 15 6.146 1.139 4.448 125 HD2 ARG 15 1HD ARG 15 6.320 -0.991 6.584 126 HD3 ARG 15 2HD ARG 15 7.388 0.411 6.493 127 HE ARG 15 HE ARG 15 5.098 1.670 6.524 128 HH11 ARG 15 1HH1 ARG 15 5.933 -1.180 8.388 129 HH12 ARG 15 2HH1 ARG 15 4.897 -0.760 9.712 130 HH21 ARG 15 1HH2 ARG 15 3.759 2.225 8.261 131 HH22 ARG 15 2HH2 ARG 15 3.660 1.177 9.647 132 H LYS 16 H LYS 16 5.750 1.944 2.597 133 HA LYS 16 HA LYS 16 4.363 4.007 3.885 134 HB2 LYS 16 1HB LYS 16 6.207 4.133 1.480 135 HB3 LYS 16 2HB LYS 16 5.645 5.543 2.364 136 HG2 LYS 16 1HG LYS 16 7.348 3.319 3.487 137 HG3 LYS 16 2HG LYS 16 7.911 4.920 3.009 138 HD2 LYS 16 1HD LYS 16 5.959 4.290 5.228 139 HD3 LYS 16 2HD LYS 16 7.634 4.808 5.420 140 HE2 LYS 16 1HE LYS 16 5.385 6.416 4.202 141 HE3 LYS 16 2HE LYS 16 6.121 6.679 5.781 142 HZ1 LYS 16 1HZ LYS 16 7.013 8.227 4.201 143 HZ2 LYS 16 2HZ LYS 16 7.446 6.987 3.140 144 HZ3 LYS 16 3HZ LYS 16 8.232 7.135 4.629 145 H TYR 17 H TYR 17 4.442 3.171 0.427 146 HA TYR 17 HA TYR 17 2.529 4.874 -0.561 147 HB2 TYR 17 2HB TYR 17 3.919 3.330 -1.925 148 HB3 TYR 17 1HB TYR 17 2.957 1.974 -1.354 149 HD1 TYR 17 1HD TYR 17 0.800 1.487 -2.320 150 HD2 TYR 17 2HD TYR 17 2.916 5.006 -3.472 151 HE1 TYR 17 1HE TYR 17 -0.735 1.787 -4.217 152 HE2 TYR 17 2HE TYR 17 1.379 5.310 -5.368 153 HH TYR 17 HH TYR 17 -0.099 3.871 -6.779 154 H ALA 18 H ALA 18 2.050 1.665 0.878 155 HA ALA 18 HA ALA 18 -0.726 1.492 0.561 156 HB1 ALA 18 1HB ALA 18 0.978 0.276 2.735 157 HB2 ALA 18 2HB ALA 18 0.696 -0.410 1.134 158 HB3 ALA 18 3HB ALA 18 -0.644 -0.244 2.267 159 H GLU 19 H GLU 19 1.022 2.347 3.576 160 HA GLU 19 HA GLU 19 -1.373 2.881 4.986 161 HB2 GLU 19 1HB GLU 19 0.055 3.717 6.773 162 HB3 GLU 19 2HB GLU 19 0.697 2.220 6.114 163 HG2 GLU 19 1HG GLU 19 2.308 3.553 4.782 164 HG3 GLU 19 2HG GLU 19 1.716 5.006 5.585 165 H GLU 20 H GLU 20 0.844 4.950 3.194 166 HA GLU 20 HA GLU 20 -0.335 7.397 4.060 167 HB2 GLU 20 1HB GLU 20 1.386 6.784 1.648 168 HB3 GLU 20 2HB GLU 20 0.899 8.404 2.138 169 HG2 GLU 20 1HG GLU 20 2.036 8.069 4.303 170 HG3 GLU 20 2HG GLU 20 2.581 6.487 3.748 171 H LEU 21 H LEU 21 -0.902 5.191 1.378 172 HA LEU 21 HA LEU 21 -2.806 6.753 -0.007 173 HB2 LEU 21 1HB LEU 21 -1.629 4.534 -0.670 174 HB3 LEU 21 2HB LEU 21 -2.908 3.742 0.220 175 HG LEU 21 HG LEU 21 -3.356 5.554 -2.167 176 HD11 LEU 21 1HD1 LEU 21 -3.799 3.484 -3.416 177 HD12 LEU 21 2HD1 LEU 21 -3.302 2.538 -2.010 178 HD13 LEU 21 3HD1 LEU 21 -2.134 3.568 -2.839 179 HD21 LEU 21 1HD2 LEU 21 -5.608 4.575 -2.195 180 HD22 LEU 21 2HD2 LEU 21 -5.297 5.453 -0.698 181 HD23 LEU 21 3HD2 LEU 21 -5.240 3.690 -0.713 182 H SER 22 H SER 22 -3.025 4.483 2.693 183 HA SER 22 HA SER 22 -5.860 4.485 2.852 184 HB2 SER 22 1HB SER 22 -4.391 2.664 3.735 185 HB3 SER 22 2HB SER 22 -3.877 3.750 5.025 186 HG SER 22 HG SER 22 -6.623 3.283 4.596 187 H ARG 23 H ARG 23 -3.348 6.466 4.395 188 HA ARG 23 HA ARG 23 -5.213 7.763 6.169 189 HB2 ARG 23 1HB ARG 23 -3.418 9.291 6.737 190 HB3 ARG 23 2HB ARG 23 -2.787 7.650 6.709 191 HG2 ARG 23 1HG ARG 23 -1.717 8.020 4.606 192 HG3 ARG 23 2HG ARG 23 -2.505 9.586 4.419 193 HD2 ARG 23 1HD ARG 23 -0.552 8.900 6.618 194 HD3 ARG 23 2HD ARG 23 -0.123 9.740 5.127 195 HE ARG 23 HE ARG 23 -2.271 11.011 6.536 196 HH11 ARG 23 1HH1 ARG 23 1.225 10.735 6.366 197 HH12 ARG 23 2HH1 ARG 23 1.498 12.285 7.097 198 HH21 ARG 23 1HH2 ARG 23 -1.909 13.032 7.477 199 HH22 ARG 23 2HH2 ARG 23 -0.286 13.593 7.736 200 H ARG 24 H ARG 24 -3.948 8.319 2.948 201 HA ARG 24 HA ARG 24 -4.947 10.956 2.594 202 HB2 ARG 24 1HB ARG 24 -3.233 10.076 1.118 203 HB3 ARG 24 2HB ARG 24 -4.291 8.769 0.603 204 HG2 ARG 24 1HG ARG 24 -5.798 10.422 -0.428 205 HG3 ARG 24 2HG ARG 24 -4.684 11.706 0.045 206 HD2 ARG 24 1HD ARG 24 -2.919 10.650 -1.305 207 HD3 ARG 24 2HD ARG 24 -4.060 9.400 -1.803 208 HE ARG 24 HE ARG 24 -5.391 11.435 -2.681 209 HH11 ARG 24 1HH1 ARG 24 -1.898 11.078 -2.750 210 HH12 ARG 24 2HH1 ARG 24 -1.695 12.141 -4.107 211 HH21 ARG 24 1HH2 ARG 24 -5.117 12.851 -4.443 212 HH22 ARG 24 2HH2 ARG 24 -3.524 13.166 -5.053 213 H THR 25 H THR 25 -6.109 7.996 1.019 214 HA THR 25 HA THR 25 -8.749 9.189 0.709 215 HB THR 25 HB THR 25 -7.756 6.525 -0.337 216 HG1 THR 25 1HG THR 25 -7.616 8.077 -2.322 217 HG21 THR 25 1HG2 THR 25 -10.199 6.845 -0.413 218 HG22 THR 25 2HG2 THR 25 -9.506 6.835 -2.035 219 HG23 THR 25 3HG2 THR 25 -9.972 8.361 -1.284 220 H GLY 26 H GLY 26 -10.565 8.455 1.743 221 HA2 GLY 26 1HA GLY 26 -10.289 6.891 4.104 222 HA3 GLY 26 2HA GLY 26 -11.799 7.447 3.394 223 H CYS 27 H CYS 27 -9.269 5.000 3.013 224 HA CYS 27 HA CYS 27 -11.261 2.947 2.518 225 HB2 CYS 27 2HB CYS 27 -9.169 3.712 0.467 226 HB3 CYS 27 1HB CYS 27 -10.026 2.175 0.444 227 H GLU 28 H GLU 28 -10.106 0.787 2.204 228 HA GLU 28 HA GLU 28 -7.647 0.681 3.821 229 HB2 GLU 28 1HB GLU 28 -9.519 -0.479 4.898 230 HB3 GLU 28 2HB GLU 28 -9.802 -1.419 3.439 231 HG2 GLU 28 1HG GLU 28 -7.694 -2.545 3.684 232 HG3 GLU 28 2HG GLU 28 -7.266 -1.528 5.061 233 H VAL 29 H VAL 29 -5.917 0.331 2.613 234 HA VAL 29 HA VAL 29 -6.219 -1.186 0.108 235 HB VAL 29 HB VAL 29 -5.606 1.124 -0.342 236 HG11 VAL 29 1HG1 VAL 29 -3.215 0.642 1.441 237 HG12 VAL 29 2HG1 VAL 29 -4.575 1.713 1.778 238 HG13 VAL 29 3HG1 VAL 29 -3.478 2.075 0.447 239 HG21 VAL 29 1HG2 VAL 29 -4.682 -0.601 -1.802 240 HG22 VAL 29 2HG2 VAL 29 -3.264 -0.739 -0.761 241 HG23 VAL 29 3HG2 VAL 29 -3.566 0.757 -1.647 242 H GLU 30 H GLU 30 -5.114 -2.988 -0.088 243 HA GLU 30 HA GLU 30 -3.099 -3.670 1.957 244 HB2 GLU 30 1HB GLU 30 -5.266 -4.975 1.964 245 HB3 GLU 30 2HB GLU 30 -4.856 -5.553 0.355 246 HG2 GLU 30 1HG GLU 30 -2.835 -6.612 1.262 247 HG3 GLU 30 2HG GLU 30 -3.277 -6.047 2.874 248 H VAL 31 H VAL 31 -1.092 -3.658 1.110 249 HA VAL 31 HA VAL 31 -0.818 -4.066 -1.793 250 HB VAL 31 HB VAL 31 0.906 -2.349 0.020 251 HG11 VAL 31 1HG1 VAL 31 2.195 -3.283 -1.827 252 HG12 VAL 31 2HG1 VAL 31 1.948 -1.553 -2.060 253 HG13 VAL 31 3HG1 VAL 31 0.987 -2.711 -2.980 254 HG21 VAL 31 1HG2 VAL 31 -0.076 -0.436 -1.180 255 HG22 VAL 31 2HG2 VAL 31 -1.302 -1.357 -0.310 256 HG23 VAL 31 3HG2 VAL 31 -1.140 -1.538 -2.055 257 H GLU 32 H GLU 32 0.744 -5.367 -2.541 258 HA GLU 32 HA GLU 32 2.418 -6.844 -0.611 259 HB2 GLU 32 1HB GLU 32 0.886 -8.337 -1.775 260 HB3 GLU 32 2HB GLU 32 1.332 -7.652 -3.331 261 HG2 GLU 32 1HG GLU 32 2.374 -9.799 -3.080 262 HG3 GLU 32 2HG GLU 32 3.613 -8.550 -3.041 263 H CYS 33 H CYS 33 4.645 -6.993 -1.075 264 HA CYS 33 HA CYS 33 5.508 -4.915 -2.990 265 HB2 CYS 33 2HB CYS 33 5.767 -4.328 -0.582 266 HB3 CYS 33 1HB CYS 33 6.859 -5.695 -0.400 267 H GLU 34 H GLU 34 7.035 -5.337 -4.410 268 HA GLU 34 HA GLU 34 8.720 -7.742 -4.107 269 HB2 GLU 34 1HB GLU 34 7.667 -6.614 -6.724 270 HB3 GLU 34 2HB GLU 34 8.710 -8.019 -6.544 271 HG2 GLU 34 1HG GLU 34 6.900 -9.177 -5.336 272 HG3 GLU 34 2HG GLU 34 5.860 -7.774 -5.594 273 H THR 35 H THR 35 10.650 -7.392 -5.828 274 HA THR 35 HA THR 35 11.702 -4.695 -5.304 275 HB THR 35 HB THR 35 13.237 -7.176 -6.130 276 HG1 THR 35 1HG THR 35 12.401 -6.197 -3.652 277 HG21 THR 35 1HG2 THR 35 15.209 -5.875 -5.396 278 HG22 THR 35 2HG2 THR 35 14.168 -4.481 -5.100 279 HG23 THR 35 3HG2 THR 35 14.375 -5.096 -6.741 Start of MODEL 5 1 H1 CYS 1 1H CYS 1 -14.600 -1.266 -1.519 2 H2 CYS 1 2H CYS 1 -13.570 -0.930 -2.817 3 H3 CYS 1 3H CYS 1 -14.830 0.130 -2.448 4 HA CYS 1 HA CYS 1 -12.731 1.014 -1.726 5 HB2 CYS 1 2HB CYS 1 -14.819 1.512 -0.471 6 HB3 CYS 1 1HB CYS 1 -14.479 0.155 0.596 7 H LYS 2 H LYS 2 -12.605 -2.137 -1.818 8 HA LYS 2 HA LYS 2 -10.338 -2.291 0.064 9 HB2 LYS 2 1HB LYS 2 -12.115 -4.466 -1.053 10 HB3 LYS 2 2HB LYS 2 -10.542 -4.821 -0.350 11 HG2 LYS 2 1HG LYS 2 -11.335 -3.686 1.752 12 HG3 LYS 2 2HG LYS 2 -12.942 -3.623 1.023 13 HD2 LYS 2 1HD LYS 2 -12.995 -6.047 0.851 14 HD3 LYS 2 2HD LYS 2 -11.352 -6.158 1.480 15 HE2 LYS 2 1HE LYS 2 -12.950 -6.678 3.232 16 HE3 LYS 2 2HE LYS 2 -12.121 -5.165 3.603 17 HZ1 LYS 2 1HZ LYS 2 -14.477 -4.981 4.035 18 HZ2 LYS 2 2HZ LYS 2 -14.845 -5.423 2.449 19 HZ3 LYS 2 3HZ LYS 2 -14.052 -3.962 2.756 20 H GLN 3 H GLN 3 -8.434 -2.097 -0.856 21 HA GLN 3 HA GLN 3 -8.152 -2.769 -3.716 22 HB2 GLN 3 1HB GLN 3 -6.613 -0.760 -2.058 23 HB3 GLN 3 2HB GLN 3 -6.281 -1.139 -3.740 24 HG2 GLN 3 1HG GLN 3 -8.986 -0.184 -2.908 25 HG3 GLN 3 2HG GLN 3 -7.671 0.961 -3.157 26 HE21 GLN 3 1HE2 GLN 3 -8.856 1.160 -6.435 27 HE22 GLN 3 2HE2 GLN 3 -8.695 1.929 -4.897 28 H ARG 4 H ARG 4 -6.845 -4.327 -4.197 29 HA ARG 4 HA ARG 4 -4.782 -5.201 -2.263 30 HB2 ARG 4 1HB ARG 4 -6.812 -6.763 -2.970 31 HB3 ARG 4 2HB ARG 4 -5.854 -7.011 -4.420 32 HG2 ARG 4 1HG ARG 4 -4.820 -7.511 -1.632 33 HG3 ARG 4 2HG ARG 4 -5.575 -8.748 -2.634 34 HD2 ARG 4 1HD ARG 4 -3.091 -7.186 -3.363 35 HD3 ARG 4 2HD ARG 4 -3.108 -8.825 -2.709 36 HE ARG 4 HE ARG 4 -4.541 -8.291 -5.215 37 HH11 ARG 4 1HH1 ARG 4 -1.857 -9.809 -3.539 38 HH12 ARG 4 2HH1 ARG 4 -1.412 -10.792 -4.899 39 HH21 ARG 4 1HH2 ARG 4 -3.960 -9.605 -6.985 40 HH22 ARG 4 2HH2 ARG 4 -2.606 -10.683 -6.849 41 H ARG 5 H ARG 5 -2.841 -4.493 -2.955 42 HA ARG 5 HA ARG 5 -2.581 -3.896 -5.839 43 HB2 ARG 5 1HB ARG 5 -2.729 -2.013 -4.046 44 HB3 ARG 5 2HB ARG 5 -1.078 -2.458 -3.673 45 HG2 ARG 5 1HG ARG 5 -1.273 -0.531 -5.221 46 HG3 ARG 5 2HG ARG 5 -0.326 -1.874 -5.863 47 HD2 ARG 5 1HD ARG 5 -1.910 -0.834 -7.502 48 HD3 ARG 5 2HD ARG 5 -2.120 -2.569 -7.279 49 HE ARG 5 HE ARG 5 -3.849 -1.114 -5.563 50 HH11 ARG 5 1HH1 ARG 5 -3.444 -1.966 -8.936 51 HH12 ARG 5 2HH1 ARG 5 -5.151 -2.004 -9.261 52 HH21 ARG 5 1HH2 ARG 5 -6.117 -1.143 -6.020 53 HH22 ARG 5 2HH2 ARG 5 -6.650 -1.548 -7.618 54 H ARG 6 H ARG 6 -0.568 -4.062 -6.807 55 HA ARG 6 HA ARG 6 1.455 -5.656 -5.381 56 HB2 ARG 6 1HB ARG 6 2.089 -6.586 -7.609 57 HB3 ARG 6 2HB ARG 6 0.465 -7.032 -7.107 58 HG2 ARG 6 1HG ARG 6 -0.448 -5.268 -8.576 59 HG3 ARG 6 2HG ARG 6 1.190 -4.899 -9.116 60 HD2 ARG 6 1HD ARG 6 1.404 -7.230 -9.934 61 HD3 ARG 6 2HD ARG 6 -0.273 -7.519 -9.464 62 HE ARG 6 HE ARG 6 0.553 -5.566 -11.524 63 HH11 ARG 6 1HH1 ARG 6 -1.716 -7.936 -10.289 64 HH12 ARG 6 2HH1 ARG 6 -2.769 -7.832 -11.667 65 HH21 ARG 6 1HH2 ARG 6 -0.831 -5.448 -13.342 66 HH22 ARG 6 2HH2 ARG 6 -2.269 -6.420 -13.392 67 H TYR 7 H TYR 7 3.096 -4.404 -4.891 68 HA TYR 7 HA TYR 7 3.903 -2.217 -6.717 69 HB2 TYR 7 2HB TYR 7 2.822 -1.601 -4.454 70 HB3 TYR 7 1HB TYR 7 4.274 -2.248 -3.707 71 HD1 TYR 7 1HD TYR 7 6.516 -1.136 -4.273 72 HD2 TYR 7 2HD TYR 7 2.749 0.600 -5.256 73 HE1 TYR 7 1HE TYR 7 7.588 1.067 -4.484 74 HE2 TYR 7 2HE TYR 7 3.817 2.802 -5.475 75 HH TYR 7 HH TYR 7 5.880 3.940 -4.572 76 H ARG 8 H ARG 8 6.175 -2.019 -7.069 77 HA ARG 8 HA ARG 8 7.783 -4.194 -5.890 78 HB2 ARG 8 1HB ARG 8 8.972 -4.454 -7.991 79 HB3 ARG 8 2HB ARG 8 7.246 -4.685 -8.236 80 HG2 ARG 8 1HG ARG 8 7.095 -2.388 -9.132 81 HG3 ARG 8 2HG ARG 8 8.843 -2.224 -8.943 82 HD2 ARG 8 1HD ARG 8 9.147 -4.165 -10.454 83 HD3 ARG 8 2HD ARG 8 7.400 -4.221 -10.693 84 HE ARG 8 HE ARG 8 8.740 -1.711 -11.329 85 HH11 ARG 8 1HH1 ARG 8 7.332 -4.691 -12.496 86 HH12 ARG 8 2HH1 ARG 8 7.187 -4.135 -14.131 87 HH21 ARG 8 1HH2 ARG 8 8.596 -0.986 -13.489 88 HH22 ARG 8 2HH2 ARG 8 7.907 -2.029 -14.699 89 H GLY 9 H GLY 9 9.825 -3.754 -5.268 90 HA2 GLY 9 1HA GLY 9 11.655 -1.919 -5.781 91 HA3 GLY 9 2HA GLY 9 10.483 -0.927 -4.919 92 H SER 10 H SER 10 10.113 -1.286 -2.731 93 HA SER 10 HA SER 10 11.508 -3.395 -1.322 94 HB2 SER 10 1HB SER 10 12.113 -0.471 -0.742 95 HB3 SER 10 2HB SER 10 12.650 -1.839 0.237 96 HG SER 10 HG SER 10 13.380 -1.215 -2.432 97 H GLU 11 H GLU 11 10.667 -3.724 0.787 98 HA GLU 11 HA GLU 11 7.940 -3.324 1.069 99 HB2 GLU 11 1HB GLU 11 8.218 -4.068 3.406 100 HB3 GLU 11 2HB GLU 11 9.105 -5.081 2.275 101 HG2 GLU 11 1HG GLU 11 11.177 -3.906 2.854 102 HG3 GLU 11 2HG GLU 11 10.284 -2.913 4.005 103 H GLU 12 H GLU 12 10.613 -1.337 2.112 104 HA GLU 12 HA GLU 12 9.351 0.495 3.770 105 HB2 GLU 12 1HB GLU 12 11.764 0.510 3.390 106 HB3 GLU 12 2HB GLU 12 11.528 0.952 1.707 107 HG2 GLU 12 1HG GLU 12 12.229 2.887 2.926 108 HG3 GLU 12 2HG GLU 12 10.547 3.106 2.448 109 H GLU 13 H GLU 13 9.912 0.849 0.271 110 HA GLU 13 HA GLU 13 8.368 3.112 -0.179 111 HB2 GLU 13 1HB GLU 13 8.937 0.787 -2.040 112 HB3 GLU 13 2HB GLU 13 8.310 2.348 -2.554 113 HG2 GLU 13 1HG GLU 13 10.951 1.991 -1.152 114 HG3 GLU 13 2HG GLU 13 10.765 2.000 -2.904 115 H CYS 14 H CYS 14 7.475 -0.304 -0.289 116 HA CYS 14 HA CYS 14 4.882 0.087 -1.334 117 HB2 CYS 14 2HB CYS 14 6.038 -2.241 0.223 118 HB3 CYS 14 1HB CYS 14 4.519 -2.277 -0.667 119 H ARG 15 H ARG 15 6.059 -0.257 2.012 120 HA ARG 15 HA ARG 15 3.412 -0.166 3.124 121 HB2 ARG 15 1HB ARG 15 6.161 0.001 4.359 122 HB3 ARG 15 2HB ARG 15 4.691 0.170 5.313 123 HG2 ARG 15 1HG ARG 15 5.436 -2.234 3.646 124 HG3 ARG 15 2HG ARG 15 5.575 -2.111 5.401 125 HD2 ARG 15 1HD ARG 15 3.168 -1.874 5.612 126 HD3 ARG 15 2HD ARG 15 2.985 -1.854 3.859 127 HE ARG 15 HE ARG 15 4.227 -4.225 4.974 128 HH11 ARG 15 1HH1 ARG 15 1.193 -2.728 4.032 129 HH12 ARG 15 2HH1 ARG 15 0.416 -4.242 3.675 130 HH21 ARG 15 1HH2 ARG 15 3.195 -6.203 4.538 131 HH22 ARG 15 2HH2 ARG 15 1.549 -6.221 3.988 132 H LYS 16 H LYS 16 5.871 2.192 2.340 133 HA LYS 16 HA LYS 16 4.726 4.410 3.684 134 HB2 LYS 16 1HB LYS 16 6.533 4.131 1.289 135 HB3 LYS 16 2HB LYS 16 5.899 5.704 1.746 136 HG2 LYS 16 1HG LYS 16 7.470 3.930 3.607 137 HG3 LYS 16 2HG LYS 16 8.187 5.198 2.610 138 HD2 LYS 16 1HD LYS 16 6.777 6.873 3.718 139 HD3 LYS 16 2HD LYS 16 6.040 5.610 4.703 140 HE2 LYS 16 1HE LYS 16 8.980 6.304 4.716 141 HE3 LYS 16 2HE LYS 16 7.804 6.895 5.887 142 HZ1 LYS 16 1HZ LYS 16 9.032 4.965 6.700 143 HZ2 LYS 16 2HZ LYS 16 8.448 4.037 5.418 144 HZ3 LYS 16 3HZ LYS 16 7.378 4.641 6.578 145 H TYR 17 H TYR 17 4.345 3.135 0.398 146 HA TYR 17 HA TYR 17 2.453 4.946 -0.561 147 HB2 TYR 17 2HB TYR 17 3.612 3.317 -1.993 148 HB3 TYR 17 1HB TYR 17 2.772 1.996 -1.194 149 HD1 TYR 17 1HD TYR 17 0.752 1.198 -2.078 150 HD2 TYR 17 2HD TYR 17 2.139 5.059 -3.233 151 HE1 TYR 17 1HE TYR 17 -1.045 1.342 -3.749 152 HE2 TYR 17 2HE TYR 17 0.341 5.208 -4.903 153 HH TYR 17 HH TYR 17 -1.110 3.732 -6.176 154 H ALA 18 H ALA 18 2.002 1.832 1.093 155 HA ALA 18 HA ALA 18 -0.800 1.837 1.184 156 HB1 ALA 18 1HB ALA 18 -0.578 0.185 2.970 157 HB2 ALA 18 2HB ALA 18 1.125 0.605 3.158 158 HB3 ALA 18 3HB ALA 18 0.562 -0.142 1.663 159 H GLU 19 H GLU 19 1.565 3.061 3.530 160 HA GLU 19 HA GLU 19 -0.152 3.891 5.559 161 HB2 GLU 19 1HB GLU 19 2.195 3.857 5.980 162 HB3 GLU 19 2HB GLU 19 2.531 4.920 4.625 163 HG2 GLU 19 1HG GLU 19 2.844 6.142 6.652 164 HG3 GLU 19 2HG GLU 19 1.406 6.763 5.848 165 H GLU 20 H GLU 20 1.267 5.916 2.995 166 HA GLU 20 HA GLU 20 -0.138 8.241 3.588 167 HB2 GLU 20 1HB GLU 20 1.031 7.284 0.966 168 HB3 GLU 20 2HB GLU 20 0.422 8.915 1.227 169 HG2 GLU 20 1HG GLU 20 2.081 9.302 2.945 170 HG3 GLU 20 2HG GLU 20 2.651 7.640 2.807 171 H LEU 21 H LEU 21 -0.961 5.601 1.373 172 HA LEU 21 HA LEU 21 -3.217 6.821 0.201 173 HB2 LEU 21 1HB LEU 21 -1.844 4.549 -0.286 174 HB3 LEU 21 2HB LEU 21 -3.217 3.862 0.560 175 HG LEU 21 HG LEU 21 -3.270 5.470 -2.003 176 HD11 LEU 21 1HD1 LEU 21 -4.134 3.393 -2.975 177 HD12 LEU 21 2HD1 LEU 21 -3.939 2.586 -1.417 178 HD13 LEU 21 3HD1 LEU 21 -2.524 3.182 -2.285 179 HD21 LEU 21 1HD2 LEU 21 -5.602 4.361 -0.426 180 HD22 LEU 21 2HD2 LEU 21 -5.694 5.044 -2.050 181 HD23 LEU 21 3HD2 LEU 21 -5.230 6.067 -0.690 182 H SER 22 H SER 22 -2.938 4.566 2.934 183 HA SER 22 HA SER 22 -5.707 4.322 3.408 184 HB2 SER 22 1HB SER 22 -4.023 2.682 4.195 185 HB3 SER 22 2HB SER 22 -3.416 3.871 5.345 186 HG SER 22 HG SER 22 -6.143 3.388 5.454 187 H ARG 23 H ARG 23 -3.256 6.523 4.728 188 HA ARG 23 HA ARG 23 -5.142 7.677 6.596 189 HB2 ARG 23 1HB ARG 23 -3.356 9.143 7.276 190 HB3 ARG 23 2HB ARG 23 -2.723 7.510 7.133 191 HG2 ARG 23 1HG ARG 23 -1.835 8.135 4.878 192 HG3 ARG 23 2HG ARG 23 -2.331 9.796 5.206 193 HD2 ARG 23 1HD ARG 23 -0.369 8.162 6.819 194 HD3 ARG 23 2HD ARG 23 0.030 9.478 5.717 195 HE ARG 23 HE ARG 23 -1.388 10.883 7.310 196 HH11 ARG 23 1HH1 ARG 23 0.338 8.031 8.383 197 HH12 ARG 23 2HH1 ARG 23 0.718 8.693 9.945 198 HH21 ARG 23 1HH2 ARG 23 -0.910 11.760 9.363 199 HH22 ARG 23 2HH2 ARG 23 0.018 10.828 10.498 200 H ARG 24 H ARG 24 -4.170 8.244 3.324 201 HA ARG 24 HA ARG 24 -5.007 10.980 3.193 202 HB2 ARG 24 1HB ARG 24 -3.441 10.074 1.543 203 HB3 ARG 24 2HB ARG 24 -4.657 8.928 0.988 204 HG2 ARG 24 1HG ARG 24 -6.054 10.759 0.196 205 HG3 ARG 24 2HG ARG 24 -4.882 11.933 0.798 206 HD2 ARG 24 1HD ARG 24 -3.213 11.104 -0.771 207 HD3 ARG 24 2HD ARG 24 -4.335 9.864 -1.338 208 HE ARG 24 HE ARG 24 -5.751 12.056 -1.795 209 HH11 ARG 24 1HH1 ARG 24 -2.405 11.335 -2.559 210 HH12 ARG 24 2HH1 ARG 24 -2.342 12.460 -3.880 211 HH21 ARG 24 1HH2 ARG 24 -5.658 13.528 -3.525 212 HH22 ARG 24 2HH2 ARG 24 -4.194 13.688 -4.444 213 H THR 25 H THR 25 -6.476 7.922 2.117 214 HA THR 25 HA THR 25 -9.107 9.265 2.132 215 HB THR 25 HB THR 25 -9.791 7.489 0.467 216 HG1 THR 25 1HG THR 25 -7.576 6.362 1.092 217 HG21 THR 25 1HG2 THR 25 -8.717 8.576 -1.465 218 HG22 THR 25 2HG2 THR 25 -7.552 9.345 -0.386 219 HG23 THR 25 3HG2 THR 25 -9.263 9.761 -0.280 220 H GLY 26 H GLY 26 -10.711 8.362 3.333 221 HA2 GLY 26 1HA GLY 26 -10.068 6.333 5.243 222 HA3 GLY 26 2HA GLY 26 -11.647 7.065 4.988 223 H CYS 27 H CYS 27 -9.396 4.770 3.486 224 HA CYS 27 HA CYS 27 -11.667 3.049 2.789 225 HB2 CYS 27 2HB CYS 27 -10.853 4.570 0.848 226 HB3 CYS 27 1HB CYS 27 -9.431 3.532 0.821 227 H GLU 28 H GLU 28 -10.578 0.872 1.801 228 HA GLU 28 HA GLU 28 -8.478 0.146 3.748 229 HB2 GLU 28 1HB GLU 28 -10.684 -0.915 4.152 230 HB3 GLU 28 2HB GLU 28 -10.622 -1.623 2.544 231 HG2 GLU 28 1HG GLU 28 -10.015 -3.213 4.325 232 HG3 GLU 28 2HG GLU 28 -8.721 -2.969 3.151 233 H VAL 29 H VAL 29 -6.582 -0.259 2.869 234 HA VAL 29 HA VAL 29 -6.451 -1.508 0.215 235 HB VAL 29 HB VAL 29 -6.089 0.846 -0.212 236 HG11 VAL 29 1HG1 VAL 29 -4.282 2.120 0.835 237 HG12 VAL 29 2HG1 VAL 29 -3.898 0.743 1.868 238 HG13 VAL 29 3HG1 VAL 29 -5.452 1.563 2.034 239 HG21 VAL 29 1HG2 VAL 29 -3.481 -0.689 -0.276 240 HG22 VAL 29 2HG2 VAL 29 -3.822 0.777 -1.193 241 HG23 VAL 29 3HG2 VAL 29 -4.736 -0.694 -1.519 242 H GLU 30 H GLU 30 -5.232 -3.247 0.250 243 HA GLU 30 HA GLU 30 -2.984 -3.421 2.138 244 HB2 GLU 30 1HB GLU 30 -4.696 -5.175 2.474 245 HB3 GLU 30 2HB GLU 30 -4.517 -5.676 0.799 246 HG2 GLU 30 1HG GLU 30 -3.330 -7.151 2.371 247 HG3 GLU 30 2HG GLU 30 -2.249 -6.392 1.198 248 H VAL 31 H VAL 31 -0.985 -3.695 1.310 249 HA VAL 31 HA VAL 31 -0.766 -3.835 -1.631 250 HB VAL 31 HB VAL 31 0.976 -2.208 0.253 251 HG11 VAL 31 1HG1 VAL 31 2.264 -3.042 -1.634 252 HG12 VAL 31 2HG1 VAL 31 1.993 -1.308 -1.810 253 HG13 VAL 31 3HG1 VAL 31 1.044 -2.450 -2.761 254 HG21 VAL 31 1HG2 VAL 31 -1.090 -1.293 -1.762 255 HG22 VAL 31 2HG2 VAL 31 -0.003 -0.235 -0.865 256 HG23 VAL 31 3HG2 VAL 31 -1.220 -1.178 -0.007 257 H GLU 32 H GLU 32 0.685 -5.238 -2.439 258 HA GLU 32 HA GLU 32 2.393 -6.715 -0.528 259 HB2 GLU 32 1HB GLU 32 1.111 -7.607 -3.119 260 HB3 GLU 32 2HB GLU 32 2.373 -8.528 -2.312 261 HG2 GLU 32 1HG GLU 32 0.915 -8.683 -0.307 262 HG3 GLU 32 2HG GLU 32 -0.353 -7.860 -1.214 263 H CYS 33 H CYS 33 4.547 -7.067 -1.092 264 HA CYS 33 HA CYS 33 5.505 -5.037 -3.004 265 HB2 CYS 33 2HB CYS 33 5.764 -4.739 -0.426 266 HB3 CYS 33 1HB CYS 33 7.061 -5.920 -0.584 267 H GLU 34 H GLU 34 6.695 -5.750 -4.622 268 HA GLU 34 HA GLU 34 7.961 -8.403 -4.459 269 HB2 GLU 34 1HB GLU 34 6.927 -6.887 -6.874 270 HB3 GLU 34 2HB GLU 34 7.738 -8.447 -6.931 271 HG2 GLU 34 1HG GLU 34 5.136 -7.931 -5.501 272 HG3 GLU 34 2HG GLU 34 5.270 -8.574 -7.136 273 H THR 35 H THR 35 9.971 -8.617 -5.685 274 HA THR 35 HA THR 35 11.351 -6.346 -6.675 275 HB THR 35 HB THR 35 11.651 -5.742 -4.357 276 HG1 THR 35 1HG THR 35 14.064 -6.127 -4.239 277 HG21 THR 35 1HG2 THR 35 12.789 -8.509 -3.918 278 HG22 THR 35 2HG2 THR 35 11.248 -7.913 -3.300 279 HG23 THR 35 3HG2 THR 35 12.761 -7.208 -2.729 Start of MODEL 6 1 H1 CYS 1 1H CYS 1 -14.685 -0.907 -1.037 2 H2 CYS 1 2H CYS 1 -13.458 -0.752 -2.190 3 H3 CYS 1 3H CYS 1 -14.517 0.533 -1.905 4 HA CYS 1 HA CYS 1 -12.351 0.892 -0.912 5 HB2 CYS 1 2HB CYS 1 -14.814 0.691 0.790 6 HB3 CYS 1 1HB CYS 1 -13.291 1.199 1.514 7 H LYS 2 H LYS 2 -12.922 -2.174 -1.088 8 HA LYS 2 HA LYS 2 -10.762 -2.750 0.824 9 HB2 LYS 2 1HB LYS 2 -13.189 -4.436 0.191 10 HB3 LYS 2 2HB LYS 2 -11.698 -5.168 0.771 11 HG2 LYS 2 1HG LYS 2 -11.825 -3.899 2.828 12 HG3 LYS 2 2HG LYS 2 -13.251 -3.036 2.243 13 HD2 LYS 2 1HD LYS 2 -14.557 -5.050 2.257 14 HD3 LYS 2 2HD LYS 2 -13.134 -6.036 2.598 15 HE2 LYS 2 1HE LYS 2 -14.178 -3.905 4.460 16 HE3 LYS 2 2HE LYS 2 -14.647 -5.601 4.562 17 HZ1 LYS 2 1HZ LYS 2 -12.848 -5.050 6.087 18 HZ2 LYS 2 2HZ LYS 2 -11.869 -4.575 4.799 19 HZ3 LYS 2 3HZ LYS 2 -12.348 -6.190 4.943 20 H GLN 3 H GLN 3 -9.225 -2.388 -0.767 21 HA GLN 3 HA GLN 3 -9.173 -4.313 -2.991 22 HB2 GLN 3 1HB GLN 3 -10.309 -2.110 -3.640 23 HB3 GLN 3 2HB GLN 3 -8.731 -1.361 -3.474 24 HG2 GLN 3 1HG GLN 3 -7.839 -2.781 -5.227 25 HG3 GLN 3 2HG GLN 3 -9.376 -3.632 -5.352 26 HE21 GLN 3 1HE2 GLN 3 -10.805 -0.318 -6.558 27 HE22 GLN 3 2HE2 GLN 3 -10.954 -1.148 -5.051 28 H ARG 4 H ARG 4 -7.054 -4.561 -3.957 29 HA ARG 4 HA ARG 4 -4.885 -3.556 -2.225 30 HB2 ARG 4 1HB ARG 4 -5.060 -6.340 -3.406 31 HB3 ARG 4 2HB ARG 4 -3.769 -5.719 -2.384 32 HG2 ARG 4 1HG ARG 4 -5.467 -5.427 -0.559 33 HG3 ARG 4 2HG ARG 4 -6.629 -6.266 -1.593 34 HD2 ARG 4 1HD ARG 4 -4.996 -8.184 -1.690 35 HD3 ARG 4 2HD ARG 4 -4.050 -7.354 -0.454 36 HE ARG 4 HE ARG 4 -6.808 -7.727 0.277 37 HH11 ARG 4 1HH1 ARG 4 -3.603 -9.138 0.314 38 HH12 ARG 4 2HH1 ARG 4 -3.999 -10.321 1.515 39 HH21 ARG 4 1HH2 ARG 4 -7.329 -9.275 1.871 40 HH22 ARG 4 2HH2 ARG 4 -6.116 -10.398 2.408 41 H ARG 5 H ARG 5 -2.732 -3.724 -3.203 42 HA ARG 5 HA ARG 5 -2.645 -3.684 -6.136 43 HB2 ARG 5 1HB ARG 5 -1.612 -1.510 -4.294 44 HB3 ARG 5 2HB ARG 5 -1.034 -1.704 -5.942 45 HG2 ARG 5 1HG ARG 5 -3.887 -1.156 -5.137 46 HG3 ARG 5 2HG ARG 5 -2.744 0.030 -5.773 47 HD2 ARG 5 1HD ARG 5 -2.568 -1.310 -7.849 48 HD3 ARG 5 2HD ARG 5 -3.788 -2.415 -7.212 49 HE ARG 5 HE ARG 5 -4.216 0.379 -8.019 50 HH11 ARG 5 1HH1 ARG 5 -5.503 -2.762 -7.131 51 HH12 ARG 5 2HH1 ARG 5 -7.132 -2.342 -7.564 52 HH21 ARG 5 1HH2 ARG 5 -6.358 0.901 -8.622 53 HH22 ARG 5 2HH2 ARG 5 -7.611 -0.286 -8.417 54 H ARG 6 H ARG 6 -0.470 -4.029 -6.968 55 HA ARG 6 HA ARG 6 1.337 -5.312 -5.012 56 HB2 ARG 6 1HB ARG 6 0.312 -6.863 -6.699 57 HB3 ARG 6 2HB ARG 6 1.092 -5.933 -7.973 58 HG2 ARG 6 1HG ARG 6 3.294 -6.479 -6.926 59 HG3 ARG 6 2HG ARG 6 2.439 -7.538 -5.801 60 HD2 ARG 6 1HD ARG 6 3.306 -8.877 -7.594 61 HD3 ARG 6 2HD ARG 6 1.552 -8.799 -7.760 62 HE ARG 6 HE ARG 6 3.008 -6.814 -9.284 63 HH11 ARG 6 1HH1 ARG 6 1.614 -10.035 -9.318 64 HH12 ARG 6 2HH1 ARG 6 1.533 -10.109 -11.051 65 HH21 ARG 6 1HH2 ARG 6 2.927 -6.938 -11.548 66 HH22 ARG 6 2HH2 ARG 6 2.291 -8.357 -12.320 67 H TYR 7 H TYR 7 3.124 -4.155 -4.679 68 HA TYR 7 HA TYR 7 4.137 -2.418 -6.840 69 HB2 TYR 7 2HB TYR 7 3.327 -1.200 -4.821 70 HB3 TYR 7 1HB TYR 7 4.491 -2.084 -3.842 71 HD1 TYR 7 1HD TYR 7 6.780 -1.380 -3.731 72 HD2 TYR 7 2HD TYR 7 4.144 0.423 -6.547 73 HE1 TYR 7 1HE TYR 7 8.458 0.356 -4.184 74 HE2 TYR 7 2HE TYR 7 5.817 2.164 -7.005 75 HH TYR 7 HH TYR 7 9.053 1.931 -5.955 76 H ARG 8 H ARG 8 6.332 -2.441 -7.265 77 HA ARG 8 HA ARG 8 7.859 -4.612 -5.999 78 HB2 ARG 8 1HB ARG 8 9.050 -4.652 -8.347 79 HB3 ARG 8 2HB ARG 8 7.549 -5.524 -8.086 80 HG2 ARG 8 1HG ARG 8 7.228 -4.487 -10.141 81 HG3 ARG 8 2HG ARG 8 6.386 -3.424 -9.015 82 HD2 ARG 8 1HD ARG 8 7.630 -2.070 -10.542 83 HD3 ARG 8 2HD ARG 8 8.423 -1.980 -8.969 84 HE ARG 8 HE ARG 8 9.387 -3.740 -11.143 85 HH11 ARG 8 1HH1 ARG 8 9.994 -1.449 -8.565 86 HH12 ARG 8 2HH1 ARG 8 11.705 -1.383 -8.846 87 HH21 ARG 8 1HH2 ARG 8 11.653 -3.648 -11.531 88 HH22 ARG 8 2HH2 ARG 8 12.645 -2.628 -10.536 89 H GLY 9 H GLY 9 9.759 -4.107 -5.165 90 HA2 GLY 9 1HA GLY 9 11.741 -2.443 -5.880 91 HA3 GLY 9 2HA GLY 9 10.579 -1.316 -5.185 92 H SER 10 H SER 10 10.945 -0.853 -3.127 93 HA SER 10 HA SER 10 12.254 -2.878 -1.421 94 HB2 SER 10 1HB SER 10 12.246 0.148 -1.190 95 HB3 SER 10 2HB SER 10 12.991 -0.946 -0.026 96 HG SER 10 HG SER 10 14.384 -1.663 -1.656 97 H GLU 11 H GLU 11 11.444 -3.326 0.598 98 HA GLU 11 HA GLU 11 8.728 -3.249 1.098 99 HB2 GLU 11 1HB GLU 11 9.304 -3.744 3.467 100 HB3 GLU 11 2HB GLU 11 10.194 -4.745 2.328 101 HG2 GLU 11 1HG GLU 11 12.164 -3.326 2.603 102 HG3 GLU 11 2HG GLU 11 11.273 -2.293 3.716 103 H GLU 12 H GLU 12 11.208 -0.894 1.940 104 HA GLU 12 HA GLU 12 9.872 0.796 3.622 105 HB2 GLU 12 1HB GLU 12 11.846 1.356 1.402 106 HB3 GLU 12 2HB GLU 12 11.401 2.494 2.637 107 HG2 GLU 12 1HG GLU 12 12.383 1.180 4.357 108 HG3 GLU 12 2HG GLU 12 12.623 -0.169 3.245 109 H GLU 13 H GLU 13 10.109 1.007 0.079 110 HA GLU 13 HA GLU 13 8.401 3.192 -0.283 111 HB2 GLU 13 1HB GLU 13 8.857 0.916 -2.231 112 HB3 GLU 13 2HB GLU 13 8.338 2.550 -2.622 113 HG2 GLU 13 1HG GLU 13 10.508 3.416 -1.886 114 HG3 GLU 13 2HG GLU 13 11.023 1.775 -1.496 115 H CYS 14 H CYS 14 7.801 -0.299 -0.419 116 HA CYS 14 HA CYS 14 5.121 -0.214 -1.206 117 HB2 CYS 14 2HB CYS 14 6.477 -2.297 0.528 118 HB3 CYS 14 1HB CYS 14 5.004 -2.525 -0.412 119 H ARG 15 H ARG 15 6.487 -0.390 2.086 120 HA ARG 15 HA ARG 15 4.007 -0.516 3.436 121 HB2 ARG 15 1HB ARG 15 6.724 0.409 4.407 122 HB3 ARG 15 2HB ARG 15 5.340 0.140 5.455 123 HG2 ARG 15 1HG ARG 15 5.324 -2.219 4.896 124 HG3 ARG 15 2HG ARG 15 6.633 -1.978 3.738 125 HD2 ARG 15 1HD ARG 15 7.512 -2.892 5.804 126 HD3 ARG 15 2HD ARG 15 8.104 -1.248 5.573 127 HE ARG 15 HE ARG 15 5.734 -1.541 7.230 128 HH11 ARG 15 1HH1 ARG 15 9.219 -1.171 7.114 129 HH12 ARG 15 2HH1 ARG 15 9.343 -0.691 8.776 130 HH21 ARG 15 1HH2 ARG 15 5.906 -0.902 9.419 131 HH22 ARG 15 2HH2 ARG 15 7.467 -0.530 10.081 132 H LYS 16 H LYS 16 6.261 2.220 2.964 133 HA LYS 16 HA LYS 16 4.699 4.132 4.287 134 HB2 LYS 16 1HB LYS 16 6.738 4.477 2.079 135 HB3 LYS 16 2HB LYS 16 6.036 5.814 2.983 136 HG2 LYS 16 1HG LYS 16 7.714 3.576 4.121 137 HG3 LYS 16 2HG LYS 16 8.232 5.240 3.854 138 HD2 LYS 16 1HD LYS 16 6.090 4.305 5.779 139 HD3 LYS 16 2HD LYS 16 7.699 4.891 6.203 140 HE2 LYS 16 1HE LYS 16 5.540 6.510 4.839 141 HE3 LYS 16 2HE LYS 16 5.971 6.606 6.545 142 HZ1 LYS 16 1HZ LYS 16 8.093 7.472 5.995 143 HZ2 LYS 16 2HZ LYS 16 6.964 8.357 5.095 144 HZ3 LYS 16 3HZ LYS 16 7.884 7.158 4.349 145 H TYR 17 H TYR 17 4.759 3.194 0.871 146 HA TYR 17 HA TYR 17 2.929 5.134 -0.042 147 HB2 TYR 17 2HB TYR 17 4.322 3.860 -1.594 148 HB3 TYR 17 1HB TYR 17 3.518 2.366 -1.122 149 HD1 TYR 17 1HD TYR 17 1.620 1.634 -2.299 150 HD2 TYR 17 2HD TYR 17 2.849 5.696 -2.670 151 HE1 TYR 17 1HE TYR 17 -0.054 1.971 -4.071 152 HE2 TYR 17 2HE TYR 17 1.180 6.043 -4.444 153 HH TYR 17 HH TYR 17 -0.086 4.750 -6.068 154 H ALA 18 H ALA 18 2.506 1.831 1.166 155 HA ALA 18 HA ALA 18 -0.241 1.558 0.754 156 HB1 ALA 18 1HB ALA 18 1.419 0.377 2.987 157 HB2 ALA 18 2HB ALA 18 1.222 -0.311 1.375 158 HB3 ALA 18 3HB ALA 18 -0.165 -0.192 2.459 159 H GLU 19 H GLU 19 1.462 2.658 3.706 160 HA GLU 19 HA GLU 19 -0.919 3.116 5.152 161 HB2 GLU 19 1HB GLU 19 0.465 4.343 6.765 162 HB3 GLU 19 2HB GLU 19 1.174 2.797 6.327 163 HG2 GLU 19 1HG GLU 19 2.864 3.800 5.048 164 HG3 GLU 19 2HG GLU 19 2.029 5.353 5.004 165 H GLU 20 H GLU 20 1.163 5.329 3.279 166 HA GLU 20 HA GLU 20 -0.153 7.712 3.900 167 HB2 GLU 20 1HB GLU 20 1.773 6.826 1.917 168 HB3 GLU 20 2HB GLU 20 0.611 7.921 1.185 169 HG2 GLU 20 1HG GLU 20 1.105 9.506 3.112 170 HG3 GLU 20 2HG GLU 20 2.466 8.452 3.489 171 H LEU 21 H LEU 21 -0.695 5.510 1.163 172 HA LEU 21 HA LEU 21 -2.848 6.937 0.046 173 HB2 LEU 21 1HB LEU 21 -1.508 5.202 -1.126 174 HB3 LEU 21 2HB LEU 21 -2.264 3.972 -0.128 175 HG LEU 21 HG LEU 21 -4.462 4.519 -1.119 176 HD11 LEU 21 1HD1 LEU 21 -4.040 6.878 -1.633 177 HD12 LEU 21 2HD1 LEU 21 -4.626 5.995 -3.042 178 HD13 LEU 21 3HD1 LEU 21 -2.913 6.399 -2.903 179 HD21 LEU 21 1HD2 LEU 21 -4.033 3.575 -3.334 180 HD22 LEU 21 2HD2 LEU 21 -3.090 2.746 -2.097 181 HD23 LEU 21 3HD2 LEU 21 -2.313 3.922 -3.157 182 H SER 22 H SER 22 -2.704 4.378 2.468 183 HA SER 22 HA SER 22 -5.501 3.881 2.539 184 HB2 SER 22 1HB SER 22 -3.704 2.284 3.302 185 HB3 SER 22 2HB SER 22 -3.490 3.295 4.729 186 HG SER 22 HG SER 22 -6.017 2.880 4.726 187 H ARG 23 H ARG 23 -3.382 6.086 4.328 188 HA ARG 23 HA ARG 23 -5.522 6.847 6.125 189 HB2 ARG 23 1HB ARG 23 -3.961 8.301 7.199 190 HB3 ARG 23 2HB ARG 23 -3.125 6.802 6.848 191 HG2 ARG 23 1HG ARG 23 -1.526 8.334 6.270 192 HG3 ARG 23 2HG ARG 23 -2.314 8.091 4.714 193 HD2 ARG 23 1HD ARG 23 -1.872 10.485 5.262 194 HD3 ARG 23 2HD ARG 23 -3.573 10.126 4.957 195 HE ARG 23 HE ARG 23 -2.998 9.931 7.727 196 HH11 ARG 23 1HH1 ARG 23 -3.414 12.337 5.205 197 HH12 ARG 23 2HH1 ARG 23 -4.011 13.546 6.296 198 HH21 ARG 23 1HH2 ARG 23 -3.780 11.501 9.145 199 HH22 ARG 23 2HH2 ARG 23 -4.226 13.070 8.545 200 H ARG 24 H ARG 24 -4.237 7.877 3.100 201 HA ARG 24 HA ARG 24 -5.324 10.511 3.057 202 HB2 ARG 24 1HB ARG 24 -3.479 9.666 1.575 203 HB3 ARG 24 2HB ARG 24 -4.669 8.706 0.707 204 HG2 ARG 24 1HG ARG 24 -5.842 10.776 0.065 205 HG3 ARG 24 2HG ARG 24 -4.609 11.718 0.907 206 HD2 ARG 24 1HD ARG 24 -4.244 9.957 -1.516 207 HD3 ARG 24 2HD ARG 24 -4.056 11.708 -1.419 208 HE ARG 24 HE ARG 24 -2.279 10.501 0.394 209 HH11 ARG 24 1HH1 ARG 24 -2.724 10.957 -3.055 210 HH12 ARG 24 2HH1 ARG 24 -1.038 10.753 -3.420 211 HH21 ARG 24 1HH2 ARG 24 -0.070 10.220 -0.090 212 HH22 ARG 24 2HH2 ARG 24 0.465 10.321 -1.736 213 H THR 25 H THR 25 -6.340 7.452 1.560 214 HA THR 25 HA THR 25 -9.025 8.506 1.092 215 HB THR 25 HB THR 25 -7.854 5.806 0.358 216 HG1 THR 25 1HG THR 25 -7.981 8.281 -1.029 217 HG21 THR 25 1HG2 THR 25 -10.319 5.831 0.433 218 HG22 THR 25 2HG2 THR 25 -9.729 5.671 -1.220 219 HG23 THR 25 3HG2 THR 25 -10.333 7.225 -0.650 220 H GLY 26 H GLY 26 -10.604 8.160 2.550 221 HA2 GLY 26 1HA GLY 26 -10.127 6.633 4.924 222 HA3 GLY 26 2HA GLY 26 -11.620 7.448 4.488 223 H CYS 27 H CYS 27 -9.691 4.624 3.518 224 HA CYS 27 HA CYS 27 -11.943 2.854 3.742 225 HB2 CYS 27 2HB CYS 27 -10.796 3.554 1.023 226 HB3 CYS 27 1HB CYS 27 -11.712 2.081 1.324 227 H GLU 28 H GLU 28 -10.928 0.706 2.292 228 HA GLU 28 HA GLU 28 -8.401 0.214 3.730 229 HB2 GLU 28 1HB GLU 28 -10.347 -1.103 4.531 230 HB3 GLU 28 2HB GLU 28 -10.529 -1.785 2.922 231 HG2 GLU 28 1HG GLU 28 -8.249 -2.750 3.132 232 HG3 GLU 28 2HG GLU 28 -8.202 -2.169 4.796 233 H VAL 29 H VAL 29 -6.923 0.664 2.220 234 HA VAL 29 HA VAL 29 -6.912 -1.040 -0.182 235 HB VAL 29 HB VAL 29 -7.122 1.285 -0.874 236 HG11 VAL 29 1HG1 VAL 29 -6.217 2.377 1.116 237 HG12 VAL 29 2HG1 VAL 29 -5.427 2.968 -0.345 238 HG13 VAL 29 3HG1 VAL 29 -4.597 1.813 0.698 239 HG21 VAL 29 1HG2 VAL 29 -5.766 -0.178 -2.272 240 HG22 VAL 29 2HG2 VAL 29 -4.327 0.222 -1.335 241 HG23 VAL 29 3HG2 VAL 29 -5.120 1.464 -2.301 242 H GLU 30 H GLU 30 -5.349 -2.488 -0.206 243 HA GLU 30 HA GLU 30 -3.071 -2.160 1.645 244 HB2 GLU 30 1HB GLU 30 -4.625 -4.003 2.239 245 HB3 GLU 30 2HB GLU 30 -4.352 -4.725 0.660 246 HG2 GLU 30 1HG GLU 30 -1.979 -5.024 1.217 247 HG3 GLU 30 2HG GLU 30 -2.270 -4.317 2.805 248 H VAL 31 H VAL 31 -1.024 -2.765 0.922 249 HA VAL 31 HA VAL 31 -0.763 -3.272 -1.970 250 HB VAL 31 HB VAL 31 1.070 -1.550 -0.267 251 HG11 VAL 31 1HG1 VAL 31 2.215 -1.028 -2.375 252 HG12 VAL 31 2HG1 VAL 31 1.170 -2.167 -3.225 253 HG13 VAL 31 3HG1 VAL 31 2.299 -2.751 -2.001 254 HG21 VAL 31 1HG2 VAL 31 -0.850 -0.748 -2.461 255 HG22 VAL 31 2HG2 VAL 31 0.276 0.328 -1.633 256 HG23 VAL 31 3HG2 VAL 31 -1.046 -0.419 -0.738 257 H GLU 32 H GLU 32 0.730 -4.791 -2.550 258 HA GLU 32 HA GLU 32 2.107 -6.221 -0.368 259 HB2 GLU 32 1HB GLU 32 0.316 -7.499 -1.617 260 HB3 GLU 32 2HB GLU 32 1.292 -7.336 -3.071 261 HG2 GLU 32 1HG GLU 32 1.570 -9.522 -1.995 262 HG3 GLU 32 2HG GLU 32 3.080 -8.612 -2.066 263 H CYS 33 H CYS 33 4.272 -6.959 -0.828 264 HA CYS 33 HA CYS 33 5.581 -5.071 -2.684 265 HB2 CYS 33 2HB CYS 33 5.791 -4.750 -0.136 266 HB3 CYS 33 1HB CYS 33 6.855 -6.151 -0.175 267 H GLU 34 H GLU 34 6.758 -5.886 -4.238 268 HA GLU 34 HA GLU 34 7.872 -8.609 -3.995 269 HB2 GLU 34 1HB GLU 34 7.203 -7.044 -6.507 270 HB3 GLU 34 2HB GLU 34 7.873 -8.669 -6.460 271 HG2 GLU 34 1HG GLU 34 5.194 -7.924 -5.305 272 HG3 GLU 34 2HG GLU 34 5.428 -8.527 -6.943 273 H THR 35 H THR 35 9.986 -8.899 -5.113 274 HA THR 35 HA THR 35 11.648 -6.473 -4.904 275 HB THR 35 HB THR 35 13.553 -8.267 -4.989 276 HG1 THR 35 1HG THR 35 12.120 -10.028 -5.472 277 HG21 THR 35 1HG2 THR 35 11.775 -7.991 -2.559 278 HG22 THR 35 2HG2 THR 35 13.078 -6.896 -3.021 279 HG23 THR 35 3HG2 THR 35 13.444 -8.556 -2.549 Start of MODEL 7 1 H1 CYS 1 1H CYS 1 -15.092 -0.859 1.591 2 H2 CYS 1 2H CYS 1 -15.774 0.606 1.108 3 H3 CYS 1 3H CYS 1 -14.537 0.590 2.258 4 HA CYS 1 HA CYS 1 -14.309 -0.177 -0.584 5 HB2 CYS 1 2HB CYS 1 -14.459 2.232 -0.237 6 HB3 CYS 1 1HB CYS 1 -13.179 2.159 0.961 7 H LYS 2 H LYS 2 -13.186 -1.998 -0.510 8 HA LYS 2 HA LYS 2 -10.598 -2.007 0.914 9 HB2 LYS 2 1HB LYS 2 -12.493 -4.308 0.381 10 HB3 LYS 2 2HB LYS 2 -10.817 -4.543 0.852 11 HG2 LYS 2 1HG LYS 2 -11.228 -3.400 2.963 12 HG3 LYS 2 2HG LYS 2 -12.901 -3.097 2.486 13 HD2 LYS 2 1HD LYS 2 -12.781 -5.016 3.990 14 HD3 LYS 2 2HD LYS 2 -13.310 -5.522 2.385 15 HE2 LYS 2 1HE LYS 2 -11.728 -7.131 3.179 16 HE3 LYS 2 2HE LYS 2 -10.948 -6.202 1.901 17 HZ1 LYS 2 1HZ LYS 2 -10.553 -5.888 4.825 18 HZ2 LYS 2 2HZ LYS 2 -9.897 -4.846 3.676 19 HZ3 LYS 2 3HZ LYS 2 -9.427 -6.471 3.712 20 H GLN 3 H GLN 3 -8.930 -1.961 -0.427 21 HA GLN 3 HA GLN 3 -9.181 -3.230 -3.079 22 HB2 GLN 3 1HB GLN 3 -7.721 -0.658 -2.404 23 HB3 GLN 3 2HB GLN 3 -7.647 -1.475 -3.958 24 HG2 GLN 3 1HG GLN 3 -10.064 -1.115 -4.246 25 HG3 GLN 3 2HG GLN 3 -10.104 -0.257 -2.706 26 HE21 GLN 3 1HE2 GLN 3 -9.739 2.049 -5.688 27 HE22 GLN 3 2HE2 GLN 3 -10.749 0.668 -5.413 28 H ARG 4 H ARG 4 -7.345 -4.312 -3.817 29 HA ARG 4 HA ARG 4 -5.013 -4.322 -2.037 30 HB2 ARG 4 1HB ARG 4 -4.801 -6.709 -2.110 31 HB3 ARG 4 2HB ARG 4 -6.422 -6.325 -1.554 32 HG2 ARG 4 1HG ARG 4 -7.082 -6.648 -4.046 33 HG3 ARG 4 2HG ARG 4 -5.543 -7.504 -4.161 34 HD2 ARG 4 1HD ARG 4 -7.943 -8.170 -2.472 35 HD3 ARG 4 2HD ARG 4 -7.159 -9.160 -3.699 36 HE ARG 4 HE ARG 4 -5.547 -8.517 -1.361 37 HH11 ARG 4 1HH1 ARG 4 -7.598 -10.849 -2.977 38 HH12 ARG 4 2HH1 ARG 4 -7.146 -12.157 -1.933 39 HH21 ARG 4 1HH2 ARG 4 -4.949 -10.236 0.014 40 HH22 ARG 4 2HH2 ARG 4 -5.639 -11.812 -0.232 41 H ARG 5 H ARG 5 -3.091 -4.247 -3.093 42 HA ARG 5 HA ARG 5 -3.210 -4.252 -6.038 43 HB2 ARG 5 1HB ARG 5 -1.893 -2.118 -4.339 44 HB3 ARG 5 2HB ARG 5 -1.906 -2.175 -6.098 45 HG2 ARG 5 1HG ARG 5 -4.367 -1.933 -6.063 46 HG3 ARG 5 2HG ARG 5 -4.313 -1.817 -4.305 47 HD2 ARG 5 1HD ARG 5 -2.858 0.190 -4.535 48 HD3 ARG 5 2HD ARG 5 -3.066 0.098 -6.284 49 HE ARG 5 HE ARG 5 -5.505 0.226 -4.720 50 HH11 ARG 5 1HH1 ARG 5 -3.123 2.006 -6.579 51 HH12 ARG 5 2HH1 ARG 5 -4.153 3.381 -6.809 52 HH21 ARG 5 1HH2 ARG 5 -6.867 2.025 -5.029 53 HH22 ARG 5 2HH2 ARG 5 -6.298 3.388 -5.936 54 H ARG 6 H ARG 6 -0.867 -3.821 -6.886 55 HA ARG 6 HA ARG 6 1.057 -5.473 -5.427 56 HB2 ARG 6 1HB ARG 6 1.635 -6.663 -7.544 57 HB3 ARG 6 2HB ARG 6 0.027 -7.036 -6.952 58 HG2 ARG 6 1HG ARG 6 0.602 -5.074 -9.174 59 HG3 ARG 6 2HG ARG 6 0.180 -6.768 -9.422 60 HD2 ARG 6 1HD ARG 6 -1.939 -6.291 -8.102 61 HD3 ARG 6 2HD ARG 6 -1.529 -4.583 -8.225 62 HE ARG 6 HE ARG 6 -2.314 -6.363 -10.424 63 HH11 ARG 6 1HH1 ARG 6 -1.483 -3.123 -9.349 64 HH12 ARG 6 2HH1 ARG 6 -2.224 -2.353 -10.712 65 HH21 ARG 6 1HH2 ARG 6 -3.301 -5.344 -12.197 66 HH22 ARG 6 2HH2 ARG 6 -3.262 -3.613 -12.333 67 H TYR 7 H TYR 7 2.967 -4.533 -5.354 68 HA TYR 7 HA TYR 7 3.689 -2.486 -7.338 69 HB2 TYR 7 2HB TYR 7 2.605 -1.332 -5.446 70 HB3 TYR 7 1HB TYR 7 3.682 -2.139 -4.320 71 HD1 TYR 7 1HD TYR 7 5.988 -1.402 -4.054 72 HD2 TYR 7 2HD TYR 7 3.386 0.541 -6.805 73 HE1 TYR 7 1HE TYR 7 7.547 0.491 -4.185 74 HE2 TYR 7 2HE TYR 7 4.944 2.437 -6.943 75 HH TYR 7 HH TYR 7 6.746 3.446 -5.371 76 H ARG 8 H ARG 8 5.929 -2.306 -7.662 77 HA ARG 8 HA ARG 8 7.538 -4.246 -6.140 78 HB2 ARG 8 1HB ARG 8 9.039 -4.330 -8.177 79 HB3 ARG 8 2HB ARG 8 7.463 -5.079 -8.331 80 HG2 ARG 8 1HG ARG 8 7.633 -3.999 -10.336 81 HG3 ARG 8 2HG ARG 8 6.777 -2.788 -9.381 82 HD2 ARG 8 1HD ARG 8 8.822 -1.564 -9.019 83 HD3 ARG 8 2HD ARG 8 9.769 -2.830 -9.800 84 HE ARG 8 HE ARG 8 7.784 -1.841 -11.561 85 HH11 ARG 8 1HH1 ARG 8 10.878 -1.025 -10.154 86 HH12 ARG 8 2HH1 ARG 8 11.339 0.026 -11.454 87 HH21 ARG 8 1HH2 ARG 8 8.397 -0.467 -13.287 88 HH22 ARG 8 2HH2 ARG 8 9.932 0.339 -13.236 89 H GLY 9 H GLY 9 9.107 -3.540 -4.963 90 HA2 GLY 9 1HA GLY 9 10.966 -1.588 -5.331 91 HA3 GLY 9 2HA GLY 9 9.573 -0.720 -4.687 92 H SER 10 H SER 10 11.519 -0.472 -3.040 93 HA SER 10 HA SER 10 12.112 -2.639 -1.330 94 HB2 SER 10 1HB SER 10 12.294 0.324 -0.740 95 HB3 SER 10 2HB SER 10 13.117 -0.963 0.138 96 HG SER 10 HG SER 10 14.419 0.120 -1.477 97 H GLU 11 H GLU 11 11.444 -3.053 0.791 98 HA GLU 11 HA GLU 11 8.693 -3.205 1.108 99 HB2 GLU 11 1HB GLU 11 10.812 -3.402 3.260 100 HB3 GLU 11 2HB GLU 11 9.150 -3.956 3.408 101 HG2 GLU 11 1HG GLU 11 9.552 -5.565 1.584 102 HG3 GLU 11 2HG GLU 11 11.236 -5.043 1.523 103 H GLU 12 H GLU 12 10.996 -1.000 2.726 104 HA GLU 12 HA GLU 12 9.177 0.205 4.450 105 HB2 GLU 12 1HB GLU 12 11.506 0.635 4.786 106 HB3 GLU 12 2HB GLU 12 11.671 1.347 3.183 107 HG2 GLU 12 1HG GLU 12 10.320 3.240 3.823 108 HG3 GLU 12 2HG GLU 12 9.961 2.506 5.383 109 H GLU 13 H GLU 13 10.247 1.499 1.290 110 HA GLU 13 HA GLU 13 8.453 3.655 1.295 111 HB2 GLU 13 1HB GLU 13 8.771 3.156 -1.409 112 HB3 GLU 13 2HB GLU 13 9.806 4.172 -0.423 113 HG2 GLU 13 1HG GLU 13 10.343 1.237 -0.717 114 HG3 GLU 13 2HG GLU 13 10.880 2.396 -1.932 115 H CYS 14 H CYS 14 8.070 0.339 0.142 116 HA CYS 14 HA CYS 14 5.548 0.711 -1.080 117 HB2 CYS 14 2HB CYS 14 6.982 -1.275 -1.428 118 HB3 CYS 14 1HB CYS 14 6.652 -1.787 0.221 119 H ARG 15 H ARG 15 6.437 -0.179 2.249 120 HA ARG 15 HA ARG 15 3.817 -0.490 3.242 121 HB2 ARG 15 1HB ARG 15 6.530 -0.115 4.407 122 HB3 ARG 15 2HB ARG 15 5.173 0.283 5.449 123 HG2 ARG 15 1HG ARG 15 5.976 -2.009 5.762 124 HG3 ARG 15 2HG ARG 15 4.294 -1.943 5.254 125 HD2 ARG 15 1HD ARG 15 4.900 -2.577 3.006 126 HD3 ARG 15 2HD ARG 15 6.617 -2.482 3.400 127 HE ARG 15 HE ARG 15 5.653 -4.288 5.183 128 HH11 ARG 15 1HH1 ARG 15 5.434 -4.070 1.686 129 HH12 ARG 15 2HH1 ARG 15 5.432 -5.791 1.457 130 HH21 ARG 15 1HH2 ARG 15 5.665 -6.539 4.871 131 HH22 ARG 15 2HH2 ARG 15 5.556 -7.191 3.265 132 H LYS 16 H LYS 16 6.037 2.284 3.263 133 HA LYS 16 HA LYS 16 4.264 4.086 4.510 134 HB2 LYS 16 1HB LYS 16 6.759 4.389 2.876 135 HB3 LYS 16 2HB LYS 16 5.788 5.816 3.211 136 HG2 LYS 16 1HG LYS 16 7.579 5.607 4.828 137 HG3 LYS 16 2HG LYS 16 6.013 5.421 5.615 138 HD2 LYS 16 1HD LYS 16 6.319 2.963 5.570 139 HD3 LYS 16 2HD LYS 16 7.916 3.193 4.857 140 HE2 LYS 16 1HE LYS 16 7.030 4.231 7.553 141 HE3 LYS 16 2HE LYS 16 8.022 2.801 7.288 142 HZ1 LYS 16 1HZ LYS 16 9.748 4.194 6.354 143 HZ2 LYS 16 2HZ LYS 16 9.339 4.750 7.895 144 HZ3 LYS 16 3HZ LYS 16 8.783 5.574 6.528 145 H TYR 17 H TYR 17 4.631 3.029 1.208 146 HA TYR 17 HA TYR 17 2.960 4.920 -0.039 147 HB2 TYR 17 2HB TYR 17 4.338 3.433 -1.373 148 HB3 TYR 17 1HB TYR 17 3.525 2.019 -0.716 149 HD1 TYR 17 1HD TYR 17 1.740 1.075 -1.884 150 HD2 TYR 17 2HD TYR 17 2.849 5.101 -2.725 151 HE1 TYR 17 1HE TYR 17 0.157 1.113 -3.763 152 HE2 TYR 17 2HE TYR 17 1.265 5.147 -4.608 153 HH TYR 17 HH TYR 17 0.135 3.598 -6.110 154 H ALA 18 H ALA 18 2.252 1.679 1.291 155 HA ALA 18 HA ALA 18 -0.529 1.723 0.992 156 HB1 ALA 18 1HB ALA 18 1.065 0.407 3.199 157 HB2 ALA 18 2HB ALA 18 0.757 -0.282 1.607 158 HB3 ALA 18 3HB ALA 18 -0.583 0.000 2.718 159 H GLU 19 H GLU 19 1.508 2.895 3.628 160 HA GLU 19 HA GLU 19 -0.457 3.597 5.475 161 HB2 GLU 19 1HB GLU 19 1.933 3.526 6.013 162 HB3 GLU 19 2HB GLU 19 2.236 4.887 4.941 163 HG2 GLU 19 1HG GLU 19 0.798 6.295 6.404 164 HG3 GLU 19 2HG GLU 19 0.639 4.925 7.502 165 H GLU 20 H GLU 20 1.249 5.800 3.215 166 HA GLU 20 HA GLU 20 -0.226 8.026 3.636 167 HB2 GLU 20 1HB GLU 20 2.012 7.728 2.550 168 HB3 GLU 20 2HB GLU 20 1.184 7.087 1.130 169 HG2 GLU 20 1HG GLU 20 -0.058 9.134 0.987 170 HG3 GLU 20 2HG GLU 20 0.861 9.779 2.331 171 H LEU 21 H LEU 21 -0.642 5.366 1.363 172 HA LEU 21 HA LEU 21 -2.660 6.479 -0.234 173 HB2 LEU 21 1HB LEU 21 -1.309 4.539 -0.879 174 HB3 LEU 21 2HB LEU 21 -2.035 3.587 0.400 175 HG LEU 21 HG LEU 21 -4.186 3.617 -0.738 176 HD11 LEU 21 1HD1 LEU 21 -2.816 5.305 -2.835 177 HD12 LEU 21 2HD1 LEU 21 -4.075 5.843 -1.722 178 HD13 LEU 21 3HD1 LEU 21 -4.444 4.634 -2.952 179 HD21 LEU 21 1HD2 LEU 21 -1.963 2.901 -2.664 180 HD22 LEU 21 2HD2 LEU 21 -3.605 2.259 -2.667 181 HD23 LEU 21 3HD2 LEU 21 -2.515 1.885 -1.333 182 H SER 22 H SER 22 -2.874 4.282 2.561 183 HA SER 22 HA SER 22 -5.711 4.109 2.498 184 HB2 SER 22 1HB SER 22 -4.206 2.371 3.479 185 HB3 SER 22 2HB SER 22 -3.847 3.474 4.805 186 HG SER 22 HG SER 22 -6.539 3.059 4.304 187 H ARG 23 H ARG 23 -3.439 6.221 4.196 188 HA ARG 23 HA ARG 23 -5.485 7.287 5.934 189 HB2 ARG 23 1HB ARG 23 -3.807 8.728 6.833 190 HB3 ARG 23 2HB ARG 23 -3.055 7.161 6.576 191 HG2 ARG 23 1HG ARG 23 -2.039 8.012 4.499 192 HG3 ARG 23 2HG ARG 23 -2.762 9.591 4.811 193 HD2 ARG 23 1HD ARG 23 -0.752 8.167 6.564 194 HD3 ARG 23 2HD ARG 23 -0.420 9.539 5.509 195 HE ARG 23 HE ARG 23 -2.471 10.239 7.306 196 HH11 ARG 23 1HH1 ARG 23 0.978 9.615 7.265 197 HH12 ARG 23 2HH1 ARG 23 1.302 10.586 8.663 198 HH21 ARG 23 1HH2 ARG 23 -2.041 11.530 9.151 199 HH22 ARG 23 2HH2 ARG 23 -0.415 11.678 9.736 200 H ARG 24 H ARG 24 -4.085 8.133 2.830 201 HA ARG 24 HA ARG 24 -5.152 10.810 2.820 202 HB2 ARG 24 1HB ARG 24 -3.127 10.271 1.545 203 HB3 ARG 24 2HB ARG 24 -4.034 9.128 0.563 204 HG2 ARG 24 1HG ARG 24 -5.338 10.898 -0.404 205 HG3 ARG 24 2HG ARG 24 -4.622 12.080 0.692 206 HD2 ARG 24 1HD ARG 24 -3.612 12.252 -1.505 207 HD3 ARG 24 2HD ARG 24 -2.424 11.681 -0.333 208 HE ARG 24 HE ARG 24 -3.819 9.893 -2.236 209 HH11 ARG 24 1HH1 ARG 24 -0.951 10.857 -0.488 210 HH12 ARG 24 2HH1 ARG 24 0.062 9.654 -1.224 211 HH21 ARG 24 1HH2 ARG 24 -2.495 8.319 -3.229 212 HH22 ARG 24 2HH2 ARG 24 -0.813 8.212 -2.793 213 H THR 25 H THR 25 -5.897 7.842 0.985 214 HA THR 25 HA THR 25 -8.486 8.957 0.213 215 HB THR 25 HB THR 25 -7.223 6.297 -0.525 216 HG1 THR 25 1HG THR 25 -7.063 8.886 -1.625 217 HG21 THR 25 1HG2 THR 25 -8.866 6.275 -2.350 218 HG22 THR 25 2HG2 THR 25 -9.554 7.790 -1.763 219 HG23 THR 25 3HG2 THR 25 -9.673 6.328 -0.783 220 H GLY 26 H GLY 26 -10.350 8.409 1.208 221 HA2 GLY 26 1HA GLY 26 -10.386 6.901 3.598 222 HA3 GLY 26 2HA GLY 26 -11.796 7.465 2.710 223 H CYS 27 H CYS 27 -9.315 4.948 2.702 224 HA CYS 27 HA CYS 27 -11.293 2.911 2.192 225 HB2 CYS 27 2HB CYS 27 -9.113 3.530 0.182 226 HB3 CYS 27 1HB CYS 27 -9.935 1.976 0.250 227 H GLU 28 H GLU 28 -10.200 0.734 2.147 228 HA GLU 28 HA GLU 28 -7.764 0.705 3.813 229 HB2 GLU 28 1HB GLU 28 -9.633 -0.312 4.969 230 HB3 GLU 28 2HB GLU 28 -10.036 -1.282 3.559 231 HG2 GLU 28 1HG GLU 28 -7.921 -2.508 3.809 232 HG3 GLU 28 2HG GLU 28 -7.538 -1.538 5.229 233 H VAL 29 H VAL 29 -5.980 -0.161 2.881 234 HA VAL 29 HA VAL 29 -6.362 -1.635 0.363 235 HB VAL 29 HB VAL 29 -5.736 0.669 -0.171 236 HG11 VAL 29 1HG1 VAL 29 -3.541 1.572 0.456 237 HG12 VAL 29 2HG1 VAL 29 -3.243 0.151 1.456 238 HG13 VAL 29 3HG1 VAL 29 -4.550 1.263 1.868 239 HG21 VAL 29 1HG2 VAL 29 -3.813 0.190 -1.610 240 HG22 VAL 29 2HG2 VAL 29 -4.974 -1.136 -1.639 241 HG23 VAL 29 3HG2 VAL 29 -3.489 -1.284 -0.701 242 H GLU 30 H GLU 30 -5.249 -3.422 0.137 243 HA GLU 30 HA GLU 30 -2.923 -3.938 1.876 244 HB2 GLU 30 1HB GLU 30 -4.683 -5.577 2.246 245 HB3 GLU 30 2HB GLU 30 -4.839 -5.861 0.516 246 HG2 GLU 30 1HG GLU 30 -2.511 -6.742 0.508 247 HG3 GLU 30 2HG GLU 30 -2.485 -6.572 2.264 248 H VAL 31 H VAL 31 -1.127 -3.458 0.743 249 HA VAL 31 HA VAL 31 -1.100 -4.125 -2.131 250 HB VAL 31 HB VAL 31 -0.944 -1.705 -1.742 251 HG11 VAL 31 1HG1 VAL 31 0.922 -0.681 -0.609 252 HG12 VAL 31 2HG1 VAL 31 1.618 -2.263 -0.249 253 HG13 VAL 31 3HG1 VAL 31 0.090 -1.781 0.489 254 HG21 VAL 31 1HG2 VAL 31 1.028 -1.241 -3.079 255 HG22 VAL 31 2HG2 VAL 31 0.221 -2.691 -3.670 256 HG23 VAL 31 3HG2 VAL 31 1.690 -2.836 -2.705 257 H GLU 32 H GLU 32 0.564 -5.324 -2.901 258 HA GLU 32 HA GLU 32 2.277 -6.562 -0.837 259 HB2 GLU 32 1HB GLU 32 0.385 -7.893 -2.016 260 HB3 GLU 32 2HB GLU 32 1.437 -7.883 -3.421 261 HG2 GLU 32 1HG GLU 32 2.447 -8.884 -0.783 262 HG3 GLU 32 2HG GLU 32 1.439 -9.910 -1.795 263 H CYS 33 H CYS 33 4.456 -6.870 -1.318 264 HA CYS 33 HA CYS 33 5.351 -4.980 -3.398 265 HB2 CYS 33 2HB CYS 33 6.849 -5.481 -0.838 266 HB3 CYS 33 1HB CYS 33 6.886 -4.065 -1.887 267 H GLU 34 H GLU 34 6.559 -5.823 -4.915 268 HA GLU 34 HA GLU 34 8.224 -8.190 -4.345 269 HB2 GLU 34 1HB GLU 34 7.143 -7.255 -7.024 270 HB3 GLU 34 2HB GLU 34 8.045 -8.736 -6.724 271 HG2 GLU 34 1HG GLU 34 6.218 -9.552 -5.306 272 HG3 GLU 34 2HG GLU 34 5.309 -8.080 -5.640 273 H THR 35 H THR 35 10.157 -8.237 -5.990 274 HA THR 35 HA THR 35 11.255 -5.540 -6.365 275 HB THR 35 HB THR 35 13.505 -6.520 -5.526 276 HG1 THR 35 1HG THR 35 11.636 -8.429 -4.587 277 HG21 THR 35 1HG2 THR 35 11.298 -5.984 -3.525 278 HG22 THR 35 2HG2 THR 35 12.267 -4.755 -4.342 279 HG23 THR 35 3HG2 THR 35 13.031 -5.876 -3.215 Start of MODEL 8 1 H1 CYS 1 1H CYS 1 -15.409 -0.823 1.392 2 H2 CYS 1 2H CYS 1 -16.203 0.378 0.503 3 H3 CYS 1 3H CYS 1 -14.842 0.769 1.427 4 HA CYS 1 HA CYS 1 -14.889 -0.991 -0.951 5 HB2 CYS 1 2HB CYS 1 -13.279 0.963 -1.722 6 HB3 CYS 1 1HB CYS 1 -15.023 1.134 -1.864 7 H LYS 2 H LYS 2 -13.347 -2.494 -0.907 8 HA LYS 2 HA LYS 2 -10.871 -1.967 0.620 9 HB2 LYS 2 1HB LYS 2 -12.314 -4.616 0.300 10 HB3 LYS 2 2HB LYS 2 -10.756 -4.397 1.087 11 HG2 LYS 2 1HG LYS 2 -11.856 -2.929 2.757 12 HG3 LYS 2 2HG LYS 2 -13.407 -3.291 1.997 13 HD2 LYS 2 1HD LYS 2 -13.078 -5.680 2.478 14 HD3 LYS 2 2HD LYS 2 -11.535 -5.308 3.251 15 HE2 LYS 2 1HE LYS 2 -12.720 -3.921 4.907 16 HE3 LYS 2 2HE LYS 2 -14.256 -4.331 4.139 17 HZ1 LYS 2 1HZ LYS 2 -12.384 -6.256 5.413 18 HZ2 LYS 2 2HZ LYS 2 -13.854 -6.654 4.681 19 HZ3 LYS 2 3HZ LYS 2 -13.836 -5.700 6.079 20 H GLN 3 H GLN 3 -8.942 -2.699 -0.307 21 HA GLN 3 HA GLN 3 -8.949 -4.187 -2.774 22 HB2 GLN 3 1HB GLN 3 -9.518 -1.928 -3.591 23 HB3 GLN 3 2HB GLN 3 -8.078 -1.283 -2.817 24 HG2 GLN 3 1HG GLN 3 -6.668 -2.628 -4.290 25 HG3 GLN 3 2HG GLN 3 -8.102 -3.315 -5.047 26 HE21 GLN 3 1HE2 GLN 3 -8.727 -0.572 -7.113 27 HE22 GLN 3 2HE2 GLN 3 -9.316 -2.055 -6.449 28 H ARG 4 H ARG 4 -6.916 -4.951 -3.342 29 HA ARG 4 HA ARG 4 -4.669 -4.138 -1.613 30 HB2 ARG 4 1HB ARG 4 -3.753 -6.400 -1.775 31 HB3 ARG 4 2HB ARG 4 -5.353 -6.430 -1.046 32 HG2 ARG 4 1HG ARG 4 -6.339 -7.303 -3.027 33 HG3 ARG 4 2HG ARG 4 -4.869 -7.016 -3.963 34 HD2 ARG 4 1HD ARG 4 -3.683 -8.680 -2.611 35 HD3 ARG 4 2HD ARG 4 -5.142 -8.954 -1.659 36 HE ARG 4 HE ARG 4 -6.176 -9.699 -3.821 37 HH11 ARG 4 1HH1 ARG 4 -2.702 -9.861 -3.364 38 HH12 ARG 4 2HH1 ARG 4 -2.514 -11.249 -4.390 39 HH21 ARG 4 1HH2 ARG 4 -5.913 -11.520 -5.180 40 HH22 ARG 4 2HH2 ARG 4 -4.324 -12.177 -5.430 41 H ARG 5 H ARG 5 -2.998 -3.337 -2.663 42 HA ARG 5 HA ARG 5 -2.793 -3.766 -5.568 43 HB2 ARG 5 1HB ARG 5 -1.682 -1.432 -4.020 44 HB3 ARG 5 2HB ARG 5 -1.785 -1.611 -5.769 45 HG2 ARG 5 1HG ARG 5 -4.326 -1.736 -5.419 46 HG3 ARG 5 2HG ARG 5 -3.995 -1.110 -3.803 47 HD2 ARG 5 1HD ARG 5 -4.312 0.859 -4.900 48 HD3 ARG 5 2HD ARG 5 -2.584 0.653 -5.172 49 HE ARG 5 HE ARG 5 -4.276 -0.469 -7.228 50 HH11 ARG 5 1HH1 ARG 5 -2.442 2.332 -6.186 51 HH12 ARG 5 2HH1 ARG 5 -2.426 3.055 -7.763 52 HH21 ARG 5 1HH2 ARG 5 -4.246 0.483 -9.294 53 HH22 ARG 5 2HH2 ARG 5 -3.444 2.005 -9.530 54 H ARG 6 H ARG 6 -0.365 -3.399 -6.271 55 HA ARG 6 HA ARG 6 1.490 -4.275 -4.216 56 HB2 ARG 6 1HB ARG 6 2.464 -5.998 -5.814 57 HB3 ARG 6 2HB ARG 6 0.951 -6.406 -5.024 58 HG2 ARG 6 1HG ARG 6 -0.270 -5.803 -7.077 59 HG3 ARG 6 2HG ARG 6 1.272 -5.453 -7.866 60 HD2 ARG 6 1HD ARG 6 0.349 -7.733 -8.361 61 HD3 ARG 6 2HD ARG 6 1.974 -7.733 -7.673 62 HE ARG 6 HE ARG 6 -0.089 -7.997 -5.689 63 HH11 ARG 6 1HH1 ARG 6 1.810 -9.799 -8.025 64 HH12 ARG 6 2HH1 ARG 6 1.723 -11.282 -7.131 65 HH21 ARG 6 1HH2 ARG 6 -0.210 -9.948 -4.533 66 HH22 ARG 6 2HH2 ARG 6 0.576 -11.370 -5.157 67 H TYR 7 H TYR 7 3.370 -3.389 -4.340 68 HA TYR 7 HA TYR 7 4.046 -1.726 -6.686 69 HB2 TYR 7 2HB TYR 7 3.472 -0.515 -4.550 70 HB3 TYR 7 1HB TYR 7 4.818 -1.335 -3.771 71 HD1 TYR 7 1HD TYR 7 7.073 -0.551 -4.067 72 HD2 TYR 7 2HD TYR 7 3.894 1.161 -6.321 73 HE1 TYR 7 1HE TYR 7 8.556 1.289 -4.751 74 HE2 TYR 7 2HE TYR 7 5.369 3.002 -7.016 75 HH TYR 7 HH TYR 7 7.402 4.133 -6.211 76 H ARG 8 H ARG 8 6.367 -1.639 -7.198 77 HA ARG 8 HA ARG 8 7.790 -4.027 -6.193 78 HB2 ARG 8 1HB ARG 8 8.073 -2.661 -8.879 79 HB3 ARG 8 2HB ARG 8 9.057 -4.008 -8.323 80 HG2 ARG 8 1HG ARG 8 6.879 -5.307 -8.092 81 HG3 ARG 8 2HG ARG 8 6.131 -4.003 -9.016 82 HD2 ARG 8 1HD ARG 8 8.386 -5.810 -9.890 83 HD3 ARG 8 2HD ARG 8 6.745 -5.768 -10.533 84 HE ARG 8 HE ARG 8 7.320 -3.441 -11.293 85 HH11 ARG 8 1HH1 ARG 8 9.821 -5.872 -10.852 86 HH12 ARG 8 2HH1 ARG 8 10.886 -5.155 -12.019 87 HH21 ARG 8 1HH2 ARG 8 8.737 -2.487 -12.786 88 HH22 ARG 8 2HH2 ARG 8 10.278 -3.220 -13.107 89 H GLY 9 H GLY 9 9.510 -3.677 -5.007 90 HA2 GLY 9 1HA GLY 9 11.676 -2.120 -5.368 91 HA3 GLY 9 2HA GLY 9 10.528 -0.967 -4.698 92 H SER 10 H SER 10 11.951 -0.751 -2.869 93 HA SER 10 HA SER 10 12.520 -2.937 -1.139 94 HB2 SER 10 1HB SER 10 12.421 0.026 -0.479 95 HB3 SER 10 2HB SER 10 13.243 -1.229 0.453 96 HG SER 10 HG SER 10 13.965 -0.028 -1.959 97 H GLU 11 H GLU 11 11.405 -3.716 0.592 98 HA GLU 11 HA GLU 11 8.666 -3.671 0.692 99 HB2 GLU 11 1HB GLU 11 8.824 -4.711 2.882 100 HB3 GLU 11 2HB GLU 11 10.056 -5.366 1.817 101 HG2 GLU 11 1HG GLU 11 10.499 -3.296 3.968 102 HG3 GLU 11 2HG GLU 11 10.898 -5.007 4.080 103 H GLU 12 H GLU 12 10.936 -1.563 2.326 104 HA GLU 12 HA GLU 12 9.173 -0.231 4.049 105 HB2 GLU 12 1HB GLU 12 11.643 -0.089 4.173 106 HB3 GLU 12 2HB GLU 12 11.653 0.841 2.679 107 HG2 GLU 12 1HG GLU 12 10.420 2.637 3.765 108 HG3 GLU 12 2HG GLU 12 10.345 1.700 5.258 109 H GLU 13 H GLU 13 10.228 0.566 0.746 110 HA GLU 13 HA GLU 13 8.731 2.927 0.445 111 HB2 GLU 13 1HB GLU 13 9.617 0.950 -1.684 112 HB3 GLU 13 2HB GLU 13 9.068 2.595 -1.986 113 HG2 GLU 13 1HG GLU 13 11.531 1.798 -0.441 114 HG3 GLU 13 2HG GLU 13 11.487 2.451 -2.079 115 H CYS 14 H CYS 14 7.997 -0.440 -0.315 116 HA CYS 14 HA CYS 14 5.504 -0.100 -1.516 117 HB2 CYS 14 2HB CYS 14 6.489 -2.379 0.227 118 HB3 CYS 14 1HB CYS 14 5.097 -2.455 -0.855 119 H ARG 15 H ARG 15 6.349 -0.527 1.917 120 HA ARG 15 HA ARG 15 3.618 -0.367 2.769 121 HB2 ARG 15 1HB ARG 15 6.245 -0.485 4.232 122 HB3 ARG 15 2HB ARG 15 4.750 -0.138 5.097 123 HG2 ARG 15 1HG ARG 15 5.247 -2.591 3.406 124 HG3 ARG 15 2HG ARG 15 5.338 -2.526 5.169 125 HD2 ARG 15 1HD ARG 15 3.004 -2.035 5.349 126 HD3 ARG 15 2HD ARG 15 2.862 -1.778 3.612 127 HE ARG 15 HE ARG 15 3.696 -4.364 3.838 128 HH11 ARG 15 1HH1 ARG 15 1.015 -2.555 5.185 129 HH12 ARG 15 2HH1 ARG 15 -0.057 -3.918 5.205 130 HH21 ARG 15 1HH2 ARG 15 2.274 -6.144 3.817 131 HH22 ARG 15 2HH2 ARG 15 0.644 -5.951 4.392 132 H LYS 16 H LYS 16 6.191 1.967 2.310 133 HA LYS 16 HA LYS 16 5.039 4.125 3.707 134 HB2 LYS 16 1HB LYS 16 6.753 4.033 1.216 135 HB3 LYS 16 2HB LYS 16 6.196 5.550 1.907 136 HG2 LYS 16 1HG LYS 16 7.369 5.037 3.993 137 HG3 LYS 16 2HG LYS 16 7.918 3.507 3.307 138 HD2 LYS 16 1HD LYS 16 9.186 4.674 1.607 139 HD3 LYS 16 2HD LYS 16 8.553 6.227 2.152 140 HE2 LYS 16 1HE LYS 16 9.713 6.006 4.266 141 HE3 LYS 16 2HE LYS 16 10.252 4.382 3.839 142 HZ1 LYS 16 1HZ LYS 16 10.992 6.845 2.355 143 HZ2 LYS 16 2HZ LYS 16 11.584 5.286 2.078 144 HZ3 LYS 16 3HZ LYS 16 11.968 6.094 3.515 145 H TYR 17 H TYR 17 4.726 3.131 0.318 146 HA TYR 17 HA TYR 17 2.727 4.925 -0.454 147 HB2 TYR 17 2HB TYR 17 3.956 3.632 -2.094 148 HB3 TYR 17 1HB TYR 17 3.339 2.123 -1.432 149 HD1 TYR 17 1HD TYR 17 1.744 1.088 -2.740 150 HD2 TYR 17 2HD TYR 17 1.868 5.345 -2.689 151 HE1 TYR 17 1HE TYR 17 -0.131 1.157 -4.331 152 HE2 TYR 17 2HE TYR 17 -0.007 5.424 -4.276 153 HH TYR 17 HH TYR 17 -1.087 4.055 -5.923 154 H ALA 18 H ALA 18 2.487 1.673 0.957 155 HA ALA 18 HA ALA 18 -0.279 1.356 0.928 156 HB1 ALA 18 1HB ALA 18 1.623 0.411 3.076 157 HB2 ALA 18 2HB ALA 18 1.305 -0.417 1.553 158 HB3 ALA 18 3HB ALA 18 0.017 -0.236 2.743 159 H GLU 19 H GLU 19 1.713 2.701 3.575 160 HA GLU 19 HA GLU 19 -0.355 3.337 5.332 161 HB2 GLU 19 1HB GLU 19 2.316 4.708 4.936 162 HB3 GLU 19 2HB GLU 19 1.248 5.007 6.299 163 HG2 GLU 19 1HG GLU 19 2.559 2.376 5.619 164 HG3 GLU 19 2HG GLU 19 3.061 3.491 6.889 165 H GLU 20 H GLU 20 1.289 5.439 2.995 166 HA GLU 20 HA GLU 20 -0.107 7.787 3.512 167 HB2 GLU 20 1HB GLU 20 1.158 6.828 0.929 168 HB3 GLU 20 2HB GLU 20 0.620 8.478 1.216 169 HG2 GLU 20 1HG GLU 20 2.227 8.694 3.047 170 HG3 GLU 20 2HG GLU 20 2.760 7.036 2.777 171 H LEU 21 H LEU 21 -0.734 5.370 0.970 172 HA LEU 21 HA LEU 21 -2.981 6.665 -0.125 173 HB2 LEU 21 1HB LEU 21 -1.641 4.907 -1.264 174 HB3 LEU 21 2HB LEU 21 -2.314 3.715 -0.167 175 HG LEU 21 HG LEU 21 -4.576 4.194 -1.068 176 HD11 LEU 21 1HD1 LEU 21 -4.213 6.493 -1.792 177 HD12 LEU 21 2HD1 LEU 21 -4.804 5.501 -3.124 178 HD13 LEU 21 3HD1 LEU 21 -3.097 5.941 -3.041 179 HD21 LEU 21 1HD2 LEU 21 -3.271 2.341 -1.971 180 HD22 LEU 21 2HD2 LEU 21 -2.528 3.422 -3.151 181 HD23 LEU 21 3HD2 LEU 21 -4.258 3.086 -3.227 182 H SER 22 H SER 22 -2.682 4.140 2.348 183 HA SER 22 HA SER 22 -5.438 3.577 2.578 184 HB2 SER 22 1HB SER 22 -3.670 2.064 3.418 185 HB3 SER 22 2HB SER 22 -3.271 3.236 4.673 186 HG SER 22 HG SER 22 -5.858 2.826 4.858 187 H ARG 23 H ARG 23 -3.360 5.930 4.261 188 HA ARG 23 HA ARG 23 -5.540 6.722 5.990 189 HB2 ARG 23 1HB ARG 23 -4.003 8.376 6.926 190 HB3 ARG 23 2HB ARG 23 -3.271 6.784 6.875 191 HG2 ARG 23 1HG ARG 23 -1.545 8.187 6.235 192 HG3 ARG 23 2HG ARG 23 -2.160 7.591 4.695 193 HD2 ARG 23 1HD ARG 23 -1.647 10.062 4.799 194 HD3 ARG 23 2HD ARG 23 -3.263 9.640 4.235 195 HE ARG 23 HE ARG 23 -4.170 10.521 6.178 196 HH11 ARG 23 1HH1 ARG 23 -0.667 10.569 6.380 197 HH12 ARG 23 2HH1 ARG 23 -0.645 11.683 7.709 198 HH21 ARG 23 1HH2 ARG 23 -4.122 11.982 7.923 199 HH22 ARG 23 2HH2 ARG 23 -2.594 12.484 8.578 200 H ARG 24 H ARG 24 -4.276 7.708 2.919 201 HA ARG 24 HA ARG 24 -5.410 10.336 2.945 202 HB2 ARG 24 1HB ARG 24 -3.535 9.806 1.469 203 HB3 ARG 24 2HB ARG 24 -4.511 8.610 0.622 204 HG2 ARG 24 1HG ARG 24 -5.993 10.366 -0.194 205 HG3 ARG 24 2HG ARG 24 -5.074 11.578 0.699 206 HD2 ARG 24 1HD ARG 24 -4.002 9.848 -1.534 207 HD3 ARG 24 2HD ARG 24 -4.488 11.535 -1.691 208 HE ARG 24 HE ARG 24 -2.028 10.530 -0.629 209 HH11 ARG 24 1HH1 ARG 24 -4.274 13.204 -0.433 210 HH12 ARG 24 2HH1 ARG 24 -3.069 14.348 0.054 211 HH21 ARG 24 1HH2 ARG 24 -0.427 12.054 -0.022 212 HH22 ARG 24 2HH2 ARG 24 -0.888 13.703 0.279 213 H THR 25 H THR 25 -6.433 7.201 1.642 214 HA THR 25 HA THR 25 -8.824 8.321 0.461 215 HB THR 25 HB THR 25 -9.307 5.998 -0.229 216 HG1 THR 25 1HG THR 25 -6.824 5.205 0.881 217 HG21 THR 25 1HG2 THR 25 -7.859 7.351 -1.660 218 HG22 THR 25 2HG2 THR 25 -7.342 5.663 -1.680 219 HG23 THR 25 3HG2 THR 25 -6.445 6.849 -0.731 220 H GLY 26 H GLY 26 -10.968 7.281 0.904 221 HA2 GLY 26 1HA GLY 26 -11.380 6.907 3.795 222 HA3 GLY 26 2HA GLY 26 -12.626 7.252 2.601 223 H CYS 27 H CYS 27 -10.333 4.934 1.678 224 HA CYS 27 HA CYS 27 -12.288 2.770 2.092 225 HB2 CYS 27 2HB CYS 27 -10.190 3.142 -0.066 226 HB3 CYS 27 1HB CYS 27 -11.170 1.691 0.123 227 H GLU 28 H GLU 28 -11.017 0.565 1.877 228 HA GLU 28 HA GLU 28 -8.706 0.655 3.701 229 HB2 GLU 28 1HB GLU 28 -10.657 -0.483 4.678 230 HB3 GLU 28 2HB GLU 28 -10.752 -1.547 3.282 231 HG2 GLU 28 1HG GLU 28 -8.589 -2.512 3.850 232 HG3 GLU 28 2HG GLU 28 -8.458 -1.430 5.236 233 H VAL 29 H VAL 29 -7.029 0.667 2.321 234 HA VAL 29 HA VAL 29 -6.883 -1.485 0.320 235 HB VAL 29 HB VAL 29 -7.276 0.577 -0.885 236 HG11 VAL 29 1HG1 VAL 29 -4.883 1.707 0.572 237 HG12 VAL 29 2HG1 VAL 29 -6.566 2.198 0.771 238 HG13 VAL 29 3HG1 VAL 29 -5.738 2.489 -0.758 239 HG21 VAL 29 1HG2 VAL 29 -5.259 0.655 -2.305 240 HG22 VAL 29 2HG2 VAL 29 -5.754 -0.998 -1.935 241 HG23 VAL 29 3HG2 VAL 29 -4.382 -0.277 -1.091 242 H GLU 30 H GLU 30 -5.174 -2.755 0.511 243 HA GLU 30 HA GLU 30 -2.841 -1.736 2.018 244 HB2 GLU 30 1HB GLU 30 -4.154 -3.616 3.129 245 HB3 GLU 30 2HB GLU 30 -3.630 -4.654 1.809 246 HG2 GLU 30 1HG GLU 30 -1.290 -4.239 2.416 247 HG3 GLU 30 2HG GLU 30 -1.818 -3.205 3.739 248 H VAL 31 H VAL 31 -0.755 -2.740 1.328 249 HA VAL 31 HA VAL 31 -0.773 -3.268 -1.570 250 HB VAL 31 HB VAL 31 1.247 -1.587 -0.051 251 HG11 VAL 31 1HG1 VAL 31 1.081 -2.227 -3.001 252 HG12 VAL 31 2HG1 VAL 31 2.311 -2.805 -1.877 253 HG13 VAL 31 3HG1 VAL 31 2.203 -1.087 -2.262 254 HG21 VAL 31 1HG2 VAL 31 0.368 0.284 -1.407 255 HG22 VAL 31 2HG2 VAL 31 -0.847 -0.396 -0.324 256 HG23 VAL 31 3HG2 VAL 31 -0.881 -0.789 -2.043 257 H GLU 32 H GLU 32 0.807 -4.645 -2.350 258 HA GLU 32 HA GLU 32 2.274 -6.263 -0.373 259 HB2 GLU 32 1HB GLU 32 1.453 -7.018 -3.200 260 HB3 GLU 32 2HB GLU 32 2.167 -8.077 -1.993 261 HG2 GLU 32 1HG GLU 32 0.152 -7.810 -0.598 262 HG3 GLU 32 2HG GLU 32 -0.561 -6.810 -1.861 263 H CYS 33 H CYS 33 4.465 -6.957 -1.112 264 HA CYS 33 HA CYS 33 5.646 -4.791 -2.733 265 HB2 CYS 33 2HB CYS 33 6.082 -4.814 -0.202 266 HB3 CYS 33 1HB CYS 33 7.102 -6.218 -0.512 267 H GLU 34 H GLU 34 6.387 -5.487 -4.569 268 HA GLU 34 HA GLU 34 7.436 -8.226 -4.842 269 HB2 GLU 34 1HB GLU 34 6.174 -6.412 -6.924 270 HB3 GLU 34 2HB GLU 34 6.792 -8.028 -7.232 271 HG2 GLU 34 1HG GLU 34 4.534 -7.420 -5.331 272 HG3 GLU 34 2HG GLU 34 4.312 -7.865 -7.022 273 H THR 35 H THR 35 8.906 -8.296 -6.884 274 HA THR 35 HA THR 35 10.293 -5.899 -7.600 275 HB THR 35 HB THR 35 11.596 -6.289 -5.627 276 HG1 THR 35 1HG THR 35 13.345 -5.920 -6.733 277 HG21 THR 35 1HG2 THR 35 11.056 -8.615 -5.156 278 HG22 THR 35 2HG2 THR 35 12.806 -8.395 -5.194 279 HG23 THR 35 3HG2 THR 35 11.983 -9.139 -6.564 Start of MODEL 9 1 H1 CYS 1 1H CYS 1 -16.606 0.143 0.735 2 H2 CYS 1 2H CYS 1 -15.480 0.012 1.991 3 H3 CYS 1 3H CYS 1 -15.861 -1.340 1.053 4 HA CYS 1 HA CYS 1 -14.886 -0.371 -0.882 5 HB2 CYS 1 2HB CYS 1 -15.417 1.972 -0.361 6 HB3 CYS 1 1HB CYS 1 -14.253 1.955 0.958 7 H LYS 2 H LYS 2 -13.319 -1.849 -1.012 8 HA LYS 2 HA LYS 2 -10.952 -1.541 0.692 9 HB2 LYS 2 1HB LYS 2 -10.781 -3.941 1.091 10 HB3 LYS 2 2HB LYS 2 -12.297 -3.324 1.732 11 HG2 LYS 2 1HG LYS 2 -13.446 -4.181 -0.295 12 HG3 LYS 2 2HG LYS 2 -11.919 -4.885 -0.823 13 HD2 LYS 2 1HD LYS 2 -13.295 -5.555 1.790 14 HD3 LYS 2 2HD LYS 2 -13.459 -6.497 0.310 15 HE2 LYS 2 1HE LYS 2 -11.833 -7.589 1.665 16 HE3 LYS 2 2HE LYS 2 -10.969 -6.819 0.339 17 HZ1 LYS 2 1HZ LYS 2 -11.247 -5.570 3.011 18 HZ2 LYS 2 2HZ LYS 2 -10.185 -5.133 1.770 19 HZ3 LYS 2 3HZ LYS 2 -9.960 -6.584 2.606 20 H GLN 3 H GLN 3 -9.028 -1.967 -0.375 21 HA GLN 3 HA GLN 3 -9.227 -2.776 -3.207 22 HB2 GLN 3 1HB GLN 3 -9.079 -0.343 -3.114 23 HB3 GLN 3 2HB GLN 3 -7.692 -0.433 -2.040 24 HG2 GLN 3 1HG GLN 3 -7.006 0.150 -4.289 25 HG3 GLN 3 2HG GLN 3 -6.361 -1.426 -3.835 26 HE21 GLN 3 1HE2 GLN 3 -8.955 -1.035 -6.929 27 HE22 GLN 3 2HE2 GLN 3 -8.604 0.279 -5.862 28 H ARG 4 H ARG 4 -7.328 -3.774 -4.059 29 HA ARG 4 HA ARG 4 -5.097 -4.153 -2.210 30 HB2 ARG 4 1HB ARG 4 -4.852 -6.536 -3.091 31 HB3 ARG 4 2HB ARG 4 -6.132 -6.242 -1.932 32 HG2 ARG 4 1HG ARG 4 -7.168 -7.619 -3.465 33 HG3 ARG 4 2HG ARG 4 -7.656 -6.022 -4.026 34 HD2 ARG 4 1HD ARG 4 -6.967 -7.561 -5.852 35 HD3 ARG 4 2HD ARG 4 -6.020 -6.081 -5.789 36 HE ARG 4 HE ARG 4 -4.227 -7.396 -4.755 37 HH11 ARG 4 1HH1 ARG 4 -6.750 -9.148 -6.436 38 HH12 ARG 4 2HH1 ARG 4 -5.750 -10.526 -6.757 39 HH21 ARG 4 1HH2 ARG 4 -2.896 -9.193 -5.214 40 HH22 ARG 4 2HH2 ARG 4 -3.564 -10.557 -6.059 41 H ARG 5 H ARG 5 -3.302 -3.452 -3.101 42 HA ARG 5 HA ARG 5 -3.044 -3.459 -6.051 43 HB2 ARG 5 1HB ARG 5 -1.994 -1.414 -4.069 44 HB3 ARG 5 2HB ARG 5 -1.629 -1.416 -5.786 45 HG2 ARG 5 1HG ARG 5 -4.407 -1.133 -4.647 46 HG3 ARG 5 2HG ARG 5 -3.369 0.222 -5.084 47 HD2 ARG 5 1HD ARG 5 -4.831 -0.110 -6.916 48 HD3 ARG 5 2HD ARG 5 -3.271 -0.759 -7.413 49 HE ARG 5 HE ARG 5 -4.900 -2.792 -6.293 50 HH11 ARG 5 1HH1 ARG 5 -4.533 -0.881 -9.197 51 HH12 ARG 5 2HH1 ARG 5 -5.268 -2.071 -10.224 52 HH21 ARG 5 1HH2 ARG 5 -5.859 -4.366 -7.640 53 HH22 ARG 5 2HH2 ARG 5 -5.991 -4.060 -9.345 54 H ARG 6 H ARG 6 -0.601 -3.170 -6.627 55 HA ARG 6 HA ARG 6 1.131 -4.552 -4.726 56 HB2 ARG 6 1HB ARG 6 2.098 -5.816 -6.768 57 HB3 ARG 6 2HB ARG 6 0.622 -6.402 -6.017 58 HG2 ARG 6 1HG ARG 6 -0.683 -5.263 -7.792 59 HG3 ARG 6 2HG ARG 6 0.837 -4.811 -8.571 60 HD2 ARG 6 1HD ARG 6 -0.245 -6.870 -9.511 61 HD3 ARG 6 2HD ARG 6 1.414 -7.097 -8.955 62 HE ARG 6 HE ARG 6 -0.551 -7.736 -6.948 63 HH11 ARG 6 1HH1 ARG 6 1.181 -8.998 -9.724 64 HH12 ARG 6 2HH1 ARG 6 1.045 -10.653 -9.213 65 HH21 ARG 6 1HH2 ARG 6 -0.701 -9.896 -6.263 66 HH22 ARG 6 2HH2 ARG 6 -0.014 -11.161 -7.237 67 H TYR 7 H TYR 7 3.423 -4.301 -5.188 68 HA TYR 7 HA TYR 7 4.052 -1.813 -6.598 69 HB2 TYR 7 2HB TYR 7 3.310 -1.369 -4.195 70 HB3 TYR 7 1HB TYR 7 4.752 -2.233 -3.679 71 HD1 TYR 7 1HD TYR 7 6.871 -1.139 -3.641 72 HD2 TYR 7 2HD TYR 7 3.544 0.742 -5.517 73 HE1 TYR 7 1HE TYR 7 8.146 0.950 -3.799 74 HE2 TYR 7 2HE TYR 7 4.820 2.841 -5.688 75 HH TYR 7 HH TYR 7 8.189 2.985 -5.070 76 H ARG 8 H ARG 8 6.401 -1.393 -6.626 77 HA ARG 8 HA ARG 8 8.101 -3.770 -6.345 78 HB2 ARG 8 1HB ARG 8 7.660 -3.999 -8.611 79 HB3 ARG 8 2HB ARG 8 7.407 -2.282 -8.847 80 HG2 ARG 8 1HG ARG 8 9.349 -2.847 -10.053 81 HG3 ARG 8 2HG ARG 8 9.899 -1.979 -8.625 82 HD2 ARG 8 1HD ARG 8 10.722 -3.954 -7.620 83 HD3 ARG 8 2HD ARG 8 9.821 -4.990 -8.735 84 HE ARG 8 HE ARG 8 11.403 -3.654 -10.424 85 HH11 ARG 8 1HH1 ARG 8 12.248 -5.225 -7.400 86 HH12 ARG 8 2HH1 ARG 8 13.833 -5.668 -7.946 87 HH21 ARG 8 1HH2 ARG 8 13.488 -4.215 -11.109 88 HH22 ARG 8 2HH2 ARG 8 14.550 -5.069 -10.033 89 H GLY 9 H GLY 9 9.911 -3.220 -5.269 90 HA2 GLY 9 1HA GLY 9 11.693 -1.238 -5.772 91 HA3 GLY 9 2HA GLY 9 10.508 -0.443 -4.746 92 H SER 10 H SER 10 10.002 -1.620 -2.674 93 HA SER 10 HA SER 10 11.672 -3.525 -1.516 94 HB2 SER 10 1HB SER 10 12.994 -1.974 0.020 95 HB3 SER 10 2HB SER 10 13.523 -2.015 -1.663 96 HG SER 10 HG SER 10 12.124 -0.110 -1.937 97 H GLU 11 H GLU 11 11.326 -3.668 0.880 98 HA GLU 11 HA GLU 11 8.602 -3.577 1.386 99 HB2 GLU 11 1HB GLU 11 9.076 -4.220 3.653 100 HB3 GLU 11 2HB GLU 11 10.217 -5.037 2.597 101 HG2 GLU 11 1HG GLU 11 12.014 -3.759 3.324 102 HG3 GLU 11 2HG GLU 11 10.984 -2.460 3.919 103 H GLU 12 H GLU 12 11.098 -1.241 2.328 104 HA GLU 12 HA GLU 12 9.536 0.220 4.144 105 HB2 GLU 12 1HB GLU 12 11.966 0.431 4.087 106 HB3 GLU 12 2HB GLU 12 11.889 1.145 2.484 107 HG2 GLU 12 1HG GLU 12 12.260 2.872 4.117 108 HG3 GLU 12 2HG GLU 12 10.658 3.065 3.413 109 H GLU 13 H GLU 13 10.361 1.092 0.758 110 HA GLU 13 HA GLU 13 8.582 3.275 0.694 111 HB2 GLU 13 1HB GLU 13 8.885 3.259 -1.742 112 HB3 GLU 13 2HB GLU 13 10.415 3.130 -0.887 113 HG2 GLU 13 1HG GLU 13 10.435 0.708 -1.326 114 HG3 GLU 13 2HG GLU 13 8.927 0.878 -2.226 115 H CYS 14 H CYS 14 8.111 -0.149 0.125 116 HA CYS 14 HA CYS 14 5.489 0.018 -0.944 117 HB2 CYS 14 2HB CYS 14 6.742 -2.158 0.755 118 HB3 CYS 14 1HB CYS 14 5.221 -2.310 -0.115 119 H ARG 15 H ARG 15 6.764 -0.103 2.343 120 HA ARG 15 HA ARG 15 4.301 -0.166 3.725 121 HB2 ARG 15 1HB ARG 15 7.094 0.695 4.490 122 HB3 ARG 15 2HB ARG 15 5.757 0.833 5.621 123 HG2 ARG 15 1HG ARG 15 5.555 -1.445 5.885 124 HG3 ARG 15 2HG ARG 15 6.250 -1.802 4.303 125 HD2 ARG 15 1HD ARG 15 7.704 -2.395 6.270 126 HD3 ARG 15 2HD ARG 15 8.454 -1.341 5.073 127 HE ARG 15 HE ARG 15 7.333 0.289 7.032 128 HH11 ARG 15 1HH1 ARG 15 9.819 -2.172 6.829 129 HH12 ARG 15 2HH1 ARG 15 10.826 -1.431 8.031 130 HH21 ARG 15 1HH2 ARG 15 8.681 1.279 8.606 131 HH22 ARG 15 2HH2 ARG 15 10.186 0.534 9.039 132 H LYS 16 H LYS 16 6.381 2.471 2.621 133 HA LYS 16 HA LYS 16 4.809 4.555 3.739 134 HB2 LYS 16 1HB LYS 16 6.721 4.664 1.389 135 HB3 LYS 16 2HB LYS 16 6.101 6.048 2.282 136 HG2 LYS 16 1HG LYS 16 7.193 5.054 4.338 137 HG3 LYS 16 2HG LYS 16 7.990 3.916 3.252 138 HD2 LYS 16 1HD LYS 16 9.464 5.792 3.721 139 HD3 LYS 16 2HD LYS 16 8.986 5.813 2.022 140 HE2 LYS 16 1HE LYS 16 8.922 8.058 3.003 141 HE3 LYS 16 2HE LYS 16 7.318 7.533 2.493 142 HZ1 LYS 16 1HZ LYS 16 8.368 7.503 5.269 143 HZ2 LYS 16 2HZ LYS 16 6.844 6.937 4.807 144 HZ3 LYS 16 3HZ LYS 16 7.223 8.579 4.647 145 H TYR 17 H TYR 17 4.859 2.922 0.616 146 HA TYR 17 HA TYR 17 2.954 4.490 -0.722 147 HB2 TYR 17 2HB TYR 17 4.305 2.827 -1.894 148 HB3 TYR 17 1HB TYR 17 3.574 1.526 -0.964 149 HD1 TYR 17 1HD TYR 17 1.539 0.523 -1.674 150 HD2 TYR 17 2HD TYR 17 2.885 4.103 -3.546 151 HE1 TYR 17 1HE TYR 17 -0.158 0.237 -3.423 152 HE2 TYR 17 2HE TYR 17 1.185 3.827 -5.303 153 HH TYR 17 HH TYR 17 -0.128 1.954 -6.317 154 H ALA 18 H ALA 18 2.591 1.586 1.278 155 HA ALA 18 HA ALA 18 -0.224 1.449 1.224 156 HB1 ALA 18 1HB ALA 18 1.685 0.494 3.368 157 HB2 ALA 18 2HB ALA 18 1.173 -0.423 1.951 158 HB3 ALA 18 3HB ALA 18 -0.001 0.003 3.195 159 H GLU 19 H GLU 19 2.041 3.117 3.347 160 HA GLU 19 HA GLU 19 0.287 4.036 5.317 161 HB2 GLU 19 1HB GLU 19 2.756 4.181 5.456 162 HB3 GLU 19 2HB GLU 19 2.754 5.400 4.192 163 HG2 GLU 19 1HG GLU 19 3.033 6.504 6.283 164 HG3 GLU 19 2HG GLU 19 1.415 6.872 5.690 165 H GLU 20 H GLU 20 1.515 5.813 2.495 166 HA GLU 20 HA GLU 20 -0.098 8.063 2.738 167 HB2 GLU 20 1HB GLU 20 1.075 6.860 0.215 168 HB3 GLU 20 2HB GLU 20 0.472 8.503 0.371 169 HG2 GLU 20 1HG GLU 20 2.820 7.314 1.841 170 HG3 GLU 20 2HG GLU 20 2.894 8.455 0.499 171 H LEU 21 H LEU 21 -0.575 5.171 0.745 172 HA LEU 21 HA LEU 21 -2.942 5.949 -0.519 173 HB2 LEU 21 1HB LEU 21 -1.455 4.044 -1.142 174 HB3 LEU 21 2HB LEU 21 -2.064 3.153 0.236 175 HG LEU 21 HG LEU 21 -4.269 3.013 -0.755 176 HD11 LEU 21 1HD1 LEU 21 -4.743 3.916 -2.982 177 HD12 LEU 21 2HD1 LEU 21 -3.151 4.676 -3.017 178 HD13 LEU 21 3HD1 LEU 21 -4.354 5.199 -1.838 179 HD21 LEU 21 1HD2 LEU 21 -2.142 2.336 -2.802 180 HD22 LEU 21 2HD2 LEU 21 -3.756 1.629 -2.697 181 HD23 LEU 21 3HD2 LEU 21 -2.579 1.335 -1.415 182 H SER 22 H SER 22 -2.450 4.117 2.480 183 HA SER 22 HA SER 22 -5.173 3.600 3.024 184 HB2 SER 22 1HB SER 22 -3.385 2.297 4.067 185 HB3 SER 22 2HB SER 22 -2.791 3.729 4.903 186 HG SER 22 HG SER 22 -5.269 2.399 5.290 187 H ARG 23 H ARG 23 -2.967 6.134 4.188 188 HA ARG 23 HA ARG 23 -4.920 7.355 5.881 189 HB2 ARG 23 1HB ARG 23 -3.260 8.977 6.372 190 HB3 ARG 23 2HB ARG 23 -2.394 7.463 6.158 191 HG2 ARG 23 1HG ARG 23 -2.106 8.308 3.697 192 HG3 ARG 23 2HG ARG 23 -2.449 9.883 4.405 193 HD2 ARG 23 1HD ARG 23 -0.222 7.996 5.178 194 HD3 ARG 23 2HD ARG 23 -0.058 9.512 4.297 195 HE ARG 23 HE ARG 23 -1.282 9.983 6.799 196 HH11 ARG 23 1HH1 ARG 23 1.826 9.254 5.332 197 HH12 ARG 23 2HH1 ARG 23 2.742 9.887 6.671 198 HH21 ARG 23 1HH2 ARG 23 -0.062 10.838 8.550 199 HH22 ARG 23 2HH2 ARG 23 1.674 10.786 8.486 200 H ARG 24 H ARG 24 -4.168 7.546 2.532 201 HA ARG 24 HA ARG 24 -5.261 10.180 2.104 202 HB2 ARG 24 1HB ARG 24 -3.477 9.052 0.660 203 HB3 ARG 24 2HB ARG 24 -4.768 8.061 -0.002 204 HG2 ARG 24 1HG ARG 24 -4.375 9.858 -1.520 205 HG3 ARG 24 2HG ARG 24 -5.914 10.175 -0.716 206 HD2 ARG 24 1HD ARG 24 -4.613 12.217 -0.845 207 HD3 ARG 24 2HD ARG 24 -4.762 11.708 0.838 208 HE ARG 24 HE ARG 24 -2.350 10.966 -0.669 209 HH11 ARG 24 1HH1 ARG 24 -3.812 12.824 1.919 210 HH12 ARG 24 2HH1 ARG 24 -2.292 13.319 2.587 211 HH21 ARG 24 1HH2 ARG 24 -0.355 11.575 0.242 212 HH22 ARG 24 2HH2 ARG 24 -0.325 12.603 1.643 213 H THR 25 H THR 25 -6.312 6.833 1.531 214 HA THR 25 HA THR 25 -8.883 7.759 0.519 215 HB THR 25 HB THR 25 -9.358 5.336 0.188 216 HG1 THR 25 1HG THR 25 -6.651 4.831 0.871 217 HG21 THR 25 1HG2 THR 25 -7.727 4.985 -1.613 218 HG22 THR 25 2HG2 THR 25 -6.710 6.266 -0.953 219 HG23 THR 25 3HG2 THR 25 -8.304 6.651 -1.604 220 H GLY 26 H GLY 26 -10.911 6.887 1.353 221 HA2 GLY 26 1HA GLY 26 -10.902 6.560 4.283 222 HA3 GLY 26 2HA GLY 26 -12.283 7.029 3.297 223 H CYS 27 H CYS 27 -10.067 4.446 2.563 224 HA CYS 27 HA CYS 27 -12.292 2.523 2.781 225 HB2 CYS 27 2HB CYS 27 -10.060 2.603 0.725 226 HB3 CYS 27 1HB CYS 27 -11.338 1.395 0.808 227 H GLU 28 H GLU 28 -11.025 0.224 2.303 228 HA GLU 28 HA GLU 28 -8.865 0.008 4.301 229 HB2 GLU 28 1HB GLU 28 -10.818 -1.303 4.943 230 HB3 GLU 28 2HB GLU 28 -10.900 -2.031 3.344 231 HG2 GLU 28 1HG GLU 28 -9.980 -3.635 4.843 232 HG3 GLU 28 2HG GLU 28 -8.698 -3.091 3.764 233 H VAL 29 H VAL 29 -6.911 -0.436 3.462 234 HA VAL 29 HA VAL 29 -6.822 -1.281 0.638 235 HB VAL 29 HB VAL 29 -4.917 0.518 2.136 236 HG11 VAL 29 1HG1 VAL 29 -3.705 -0.861 0.533 237 HG12 VAL 29 2HG1 VAL 29 -3.771 0.813 -0.015 238 HG13 VAL 29 3HG1 VAL 29 -4.831 -0.392 -0.744 239 HG21 VAL 29 1HG2 VAL 29 -5.697 2.264 0.587 240 HG22 VAL 29 2HG2 VAL 29 -7.015 1.626 1.568 241 HG23 VAL 29 3HG2 VAL 29 -6.846 1.120 -0.113 242 H GLU 30 H GLU 30 -5.569 -2.887 0.049 243 HA GLU 30 HA GLU 30 -3.663 -4.065 1.958 244 HB2 GLU 30 1HB GLU 30 -5.760 -5.452 1.458 245 HB3 GLU 30 2HB GLU 30 -5.174 -5.578 -0.196 246 HG2 GLU 30 1HG GLU 30 -4.634 -7.550 1.185 247 HG3 GLU 30 2HG GLU 30 -3.203 -6.747 0.534 248 H VAL 31 H VAL 31 -1.663 -4.765 0.979 249 HA VAL 31 HA VAL 31 -1.304 -4.062 -1.828 250 HB VAL 31 HB VAL 31 -0.873 -2.005 -0.380 251 HG11 VAL 31 1HG1 VAL 31 1.291 -1.828 0.720 252 HG12 VAL 31 2HG1 VAL 31 1.628 -3.520 0.356 253 HG13 VAL 31 3HG1 VAL 31 0.308 -3.100 1.448 254 HG21 VAL 31 1HG2 VAL 31 -0.131 -2.136 -2.686 255 HG22 VAL 31 2HG2 VAL 31 1.339 -2.981 -2.192 256 HG23 VAL 31 3HG2 VAL 31 1.073 -1.307 -1.703 257 H GLU 32 H GLU 32 0.391 -5.036 -2.818 258 HA GLU 32 HA GLU 32 1.801 -7.140 -1.308 259 HB2 GLU 32 1HB GLU 32 1.194 -7.042 -4.277 260 HB3 GLU 32 2HB GLU 32 1.813 -8.412 -3.366 261 HG2 GLU 32 1HG GLU 32 -0.274 -8.721 -2.258 262 HG3 GLU 32 2HG GLU 32 -0.892 -7.188 -2.872 263 H CYS 33 H CYS 33 4.044 -7.093 -1.388 264 HA CYS 33 HA CYS 33 5.178 -4.826 -2.896 265 HB2 CYS 33 2HB CYS 33 5.246 -4.430 -0.503 266 HB3 CYS 33 1HB CYS 33 6.046 -5.976 -0.238 267 H GLU 34 H GLU 34 6.772 -5.179 -4.268 268 HA GLU 34 HA GLU 34 8.386 -7.638 -4.035 269 HB2 GLU 34 1HB GLU 34 7.923 -5.821 -6.420 270 HB3 GLU 34 2HB GLU 34 9.090 -7.135 -6.395 271 HG2 GLU 34 1HG GLU 34 6.140 -7.500 -5.976 272 HG3 GLU 34 2HG GLU 34 6.941 -7.636 -7.535 273 H THR 35 H THR 35 10.645 -7.361 -4.178 274 HA THR 35 HA THR 35 11.523 -4.699 -3.288 275 HB THR 35 HB THR 35 13.072 -7.303 -3.124 276 HG1 THR 35 1HG THR 35 11.473 -7.635 -1.698 277 HG21 THR 35 1HG2 THR 35 14.422 -6.093 -1.459 278 HG22 THR 35 2HG2 THR 35 13.463 -4.640 -1.740 279 HG23 THR 35 3HG2 THR 35 14.476 -5.291 -3.029 Start of MODEL 10 1 H1 CYS 1 1H CYS 1 -15.212 -1.952 -0.797 2 H2 CYS 1 2H CYS 1 -16.147 -0.557 -0.636 3 H3 CYS 1 3H CYS 1 -15.432 -1.251 0.725 4 HA CYS 1 HA CYS 1 -13.993 -0.049 -1.557 5 HB2 CYS 1 2HB CYS 1 -15.333 1.361 0.249 6 HB3 CYS 1 1HB CYS 1 -13.900 1.055 1.221 7 H LYS 2 H LYS 2 -13.575 -2.678 -0.663 8 HA LYS 2 HA LYS 2 -10.943 -2.512 0.630 9 HB2 LYS 2 1HB LYS 2 -12.562 -4.927 -0.234 10 HB3 LYS 2 2HB LYS 2 -10.972 -5.004 0.511 11 HG2 LYS 2 1HG LYS 2 -11.904 -3.909 2.524 12 HG3 LYS 2 2HG LYS 2 -13.500 -3.968 1.776 13 HD2 LYS 2 1HD LYS 2 -11.776 -6.375 2.392 14 HD3 LYS 2 2HD LYS 2 -13.125 -5.815 3.377 15 HE2 LYS 2 1HE LYS 2 -13.975 -7.590 2.070 16 HE3 LYS 2 2HE LYS 2 -14.587 -6.117 1.329 17 HZ1 LYS 2 1HZ LYS 2 -13.063 -6.320 -0.446 18 HZ2 LYS 2 2HZ LYS 2 -13.710 -7.866 -0.227 19 HZ3 LYS 2 3HZ LYS 2 -12.160 -7.511 0.343 20 H GLN 3 H GLN 3 -9.246 -2.201 -0.664 21 HA GLN 3 HA GLN 3 -9.421 -3.087 -3.479 22 HB2 GLN 3 1HB GLN 3 -7.815 -0.815 -2.276 23 HB3 GLN 3 2HB GLN 3 -7.800 -1.281 -3.974 24 HG2 GLN 3 1HG GLN 3 -10.125 -0.668 -4.207 25 HG3 GLN 3 2HG GLN 3 -10.240 -0.323 -2.482 26 HE21 GLN 3 1HE2 GLN 3 -8.604 2.356 -5.044 27 HE22 GLN 3 2HE2 GLN 3 -8.971 0.737 -5.533 28 H ARG 4 H ARG 4 -7.457 -3.869 -4.453 29 HA ARG 4 HA ARG 4 -5.250 -4.501 -2.609 30 HB2 ARG 4 1HB ARG 4 -6.380 -6.406 -4.686 31 HB3 ARG 4 2HB ARG 4 -4.909 -6.672 -3.759 32 HG2 ARG 4 1HG ARG 4 -6.315 -6.593 -1.678 33 HG3 ARG 4 2HG ARG 4 -7.738 -6.587 -2.725 34 HD2 ARG 4 1HD ARG 4 -7.314 -8.848 -2.023 35 HD3 ARG 4 2HD ARG 4 -6.930 -8.717 -3.739 36 HE ARG 4 HE ARG 4 -4.959 -8.865 -1.543 37 HH11 ARG 4 1HH1 ARG 4 -5.760 -9.230 -4.936 38 HH12 ARG 4 2HH1 ARG 4 -4.237 -9.957 -5.349 39 HH21 ARG 4 1HH2 ARG 4 -2.944 -9.811 -2.091 40 HH22 ARG 4 2HH2 ARG 4 -2.631 -10.267 -3.737 41 H ARG 5 H ARG 5 -3.442 -3.602 -3.342 42 HA ARG 5 HA ARG 5 -3.144 -3.153 -6.246 43 HB2 ARG 5 1HB ARG 5 -2.214 -1.399 -3.956 44 HB3 ARG 5 2HB ARG 5 -1.798 -1.140 -5.640 45 HG2 ARG 5 1HG ARG 5 -4.594 -1.079 -4.525 46 HG3 ARG 5 2HG ARG 5 -3.604 0.332 -4.892 47 HD2 ARG 5 1HD ARG 5 -3.478 -0.469 -7.255 48 HD3 ARG 5 2HD ARG 5 -4.639 -1.728 -6.838 49 HE ARG 5 HE ARG 5 -6.232 0.050 -6.340 50 HH11 ARG 5 1HH1 ARG 5 -3.438 0.852 -8.270 51 HH12 ARG 5 2HH1 ARG 5 -4.175 2.235 -9.009 52 HH21 ARG 5 1HH2 ARG 5 -7.224 1.895 -7.308 53 HH22 ARG 5 2HH2 ARG 5 -6.322 2.841 -8.449 54 H ARG 6 H ARG 6 -1.008 -3.323 -7.083 55 HA ARG 6 HA ARG 6 0.842 -4.832 -5.353 56 HB2 ARG 6 1HB ARG 6 0.480 -4.980 -8.359 57 HB3 ARG 6 2HB ARG 6 1.763 -5.794 -7.470 58 HG2 ARG 6 1HG ARG 6 -0.092 -6.923 -6.131 59 HG3 ARG 6 2HG ARG 6 -1.197 -6.318 -7.366 60 HD2 ARG 6 1HD ARG 6 1.215 -8.043 -7.927 61 HD3 ARG 6 2HD ARG 6 -0.428 -8.655 -7.743 62 HE ARG 6 HE ARG 6 -0.913 -7.049 -9.696 63 HH11 ARG 6 1HH1 ARG 6 2.130 -8.725 -9.240 64 HH12 ARG 6 2HH1 ARG 6 2.409 -8.946 -10.936 65 HH21 ARG 6 1HH2 ARG 6 -0.538 -7.342 -11.947 66 HH22 ARG 6 2HH2 ARG 6 0.908 -8.146 -12.468 67 H TYR 7 H TYR 7 2.897 -4.167 -5.176 68 HA TYR 7 HA TYR 7 3.731 -1.752 -6.628 69 HB2 TYR 7 2HB TYR 7 2.766 -1.181 -4.370 70 HB3 TYR 7 1HB TYR 7 4.019 -2.171 -3.634 71 HD1 TYR 7 1HD TYR 7 6.281 -1.347 -3.413 72 HD2 TYR 7 2HD TYR 7 3.343 0.943 -5.479 73 HE1 TYR 7 1HE TYR 7 7.769 0.610 -3.352 74 HE2 TYR 7 2HE TYR 7 4.829 2.900 -5.434 75 HH TYR 7 HH TYR 7 8.116 2.709 -4.590 76 H ARG 8 H ARG 8 5.988 -1.588 -6.920 77 HA ARG 8 HA ARG 8 7.488 -4.027 -6.223 78 HB2 ARG 8 1HB ARG 8 8.837 -3.660 -8.223 79 HB3 ARG 8 2HB ARG 8 7.136 -3.782 -8.639 80 HG2 ARG 8 1HG ARG 8 7.041 -1.295 -8.762 81 HG3 ARG 8 2HG ARG 8 8.784 -1.261 -8.486 82 HD2 ARG 8 1HD ARG 8 7.307 -2.450 -10.829 83 HD3 ARG 8 2HD ARG 8 8.412 -1.079 -10.839 84 HE ARG 8 HE ARG 8 9.085 -3.859 -10.957 85 HH11 ARG 8 1HH1 ARG 8 10.284 -0.729 -9.937 86 HH12 ARG 8 2HH1 ARG 8 11.950 -1.178 -10.063 87 HH21 ARG 8 1HH2 ARG 8 11.264 -4.436 -11.186 88 HH22 ARG 8 2HH2 ARG 8 12.513 -3.290 -10.809 89 H GLY 9 H GLY 9 9.059 -3.766 -4.791 90 HA2 GLY 9 1HA GLY 9 11.052 -1.944 -4.623 91 HA3 GLY 9 2HA GLY 9 9.704 -1.092 -3.880 92 H SER 10 H SER 10 11.442 -1.223 -2.110 93 HA SER 10 HA SER 10 11.586 -3.806 -0.768 94 HB2 SER 10 1HB SER 10 13.226 -2.606 0.719 95 HB3 SER 10 2HB SER 10 13.674 -2.636 -0.986 96 HG SER 10 HG SER 10 13.264 -0.533 -1.167 97 H GLU 11 H GLU 11 11.630 -3.590 1.707 98 HA GLU 11 HA GLU 11 9.118 -3.494 2.696 99 HB2 GLU 11 1HB GLU 11 10.190 -3.299 4.955 100 HB3 GLU 11 2HB GLU 11 10.903 -4.528 3.918 101 HG2 GLU 11 1HG GLU 11 12.686 -2.867 3.316 102 HG3 GLU 11 2HG GLU 11 12.023 -1.803 4.555 103 H GLU 12 H GLU 12 11.452 -0.782 2.943 104 HA GLU 12 HA GLU 12 9.671 0.859 4.424 105 HB2 GLU 12 1HB GLU 12 12.361 0.975 3.822 106 HB3 GLU 12 2HB GLU 12 11.713 2.299 2.867 107 HG2 GLU 12 1HG GLU 12 11.417 1.924 5.847 108 HG3 GLU 12 2HG GLU 12 12.463 3.083 5.033 109 H GLU 13 H GLU 13 10.392 0.541 0.982 110 HA GLU 13 HA GLU 13 8.903 2.742 0.048 111 HB2 GLU 13 1HB GLU 13 9.396 0.068 -1.302 112 HB3 GLU 13 2HB GLU 13 8.848 1.531 -2.110 113 HG2 GLU 13 1HG GLU 13 11.512 1.120 -0.759 114 HG3 GLU 13 2HG GLU 13 11.212 1.177 -2.494 115 H CYS 14 H CYS 14 8.025 -0.618 0.700 116 HA CYS 14 HA CYS 14 5.321 -0.506 -0.035 117 HB2 CYS 14 2HB CYS 14 6.738 -2.199 2.042 118 HB3 CYS 14 1HB CYS 14 5.072 -2.461 1.532 119 H ARG 15 H ARG 15 6.929 0.120 3.066 120 HA ARG 15 HA ARG 15 4.635 0.636 4.597 121 HB2 ARG 15 1HB ARG 15 7.502 1.535 4.863 122 HB3 ARG 15 2HB ARG 15 6.274 1.977 6.042 123 HG2 ARG 15 1HG ARG 15 6.933 -0.875 5.311 124 HG3 ARG 15 2HG ARG 15 7.668 -0.007 6.660 125 HD2 ARG 15 1HD ARG 15 4.713 -0.536 6.297 126 HD3 ARG 15 2HD ARG 15 5.785 -1.389 7.409 127 HE ARG 15 HE ARG 15 6.141 1.070 8.265 128 HH11 ARG 15 1HH1 ARG 15 3.123 -0.499 7.376 129 HH12 ARG 15 2HH1 ARG 15 2.168 0.503 8.422 130 HH21 ARG 15 1HH2 ARG 15 4.889 2.348 9.638 131 HH22 ARG 15 2HH2 ARG 15 3.170 2.108 9.716 132 H LYS 16 H LYS 16 6.715 2.821 2.733 133 HA LYS 16 HA LYS 16 5.458 5.236 3.384 134 HB2 LYS 16 1HB LYS 16 6.894 4.400 0.855 135 HB3 LYS 16 2HB LYS 16 6.383 6.047 1.180 136 HG2 LYS 16 1HG LYS 16 8.247 4.554 3.016 137 HG3 LYS 16 2HG LYS 16 8.820 5.461 1.621 138 HD2 LYS 16 1HD LYS 16 9.038 6.980 3.380 139 HD3 LYS 16 2HD LYS 16 7.515 7.448 2.628 140 HE2 LYS 16 1HE LYS 16 7.252 7.473 5.020 141 HE3 LYS 16 2HE LYS 16 6.316 6.135 4.361 142 HZ1 LYS 16 1HZ LYS 16 7.480 5.411 6.296 143 HZ2 LYS 16 2HZ LYS 16 8.960 5.960 5.694 144 HZ3 LYS 16 3HZ LYS 16 8.181 4.654 4.955 145 H TYR 17 H TYR 17 5.005 3.264 0.444 146 HA TYR 17 HA TYR 17 2.924 4.742 -0.653 147 HB2 TYR 17 2HB TYR 17 4.121 3.066 -1.946 148 HB3 TYR 17 1HB TYR 17 3.501 1.783 -0.914 149 HD1 TYR 17 1HD TYR 17 1.411 0.764 -1.377 150 HD2 TYR 17 2HD TYR 17 2.470 4.368 -3.390 151 HE1 TYR 17 1HE TYR 17 -0.540 0.507 -2.854 152 HE2 TYR 17 2HE TYR 17 0.520 4.119 -4.870 153 HH TYR 17 HH TYR 17 -0.950 2.264 -5.698 154 H ALA 18 H ALA 18 2.775 1.967 1.548 155 HA ALA 18 HA ALA 18 -0.020 1.662 1.551 156 HB1 ALA 18 1HB ALA 18 1.460 -0.078 2.379 157 HB2 ALA 18 2HB ALA 18 0.306 0.387 3.630 158 HB3 ALA 18 3HB ALA 18 1.974 0.965 3.707 159 H GLU 19 H GLU 19 2.118 3.530 3.702 160 HA GLU 19 HA GLU 19 0.094 4.367 5.481 161 HB2 GLU 19 1HB GLU 19 2.531 4.428 5.980 162 HB3 GLU 19 2HB GLU 19 2.707 5.762 4.847 163 HG2 GLU 19 1HG GLU 19 1.310 7.173 6.214 164 HG3 GLU 19 2HG GLU 19 0.959 5.831 7.302 165 H GLU 20 H GLU 20 1.550 5.945 2.647 166 HA GLU 20 HA GLU 20 0.044 8.309 2.701 167 HB2 GLU 20 1HB GLU 20 1.053 6.822 0.257 168 HB3 GLU 20 2HB GLU 20 0.559 8.509 0.307 169 HG2 GLU 20 1HG GLU 20 2.946 7.278 1.673 170 HG3 GLU 20 2HG GLU 20 2.954 8.381 0.300 171 H LEU 21 H LEU 21 -0.532 5.251 1.029 172 HA LEU 21 HA LEU 21 -2.949 5.895 -0.209 173 HB2 LEU 21 1HB LEU 21 -1.506 3.914 -0.683 174 HB3 LEU 21 2HB LEU 21 -2.054 3.193 0.817 175 HG LEU 21 HG LEU 21 -4.326 3.044 -0.029 176 HD11 LEU 21 1HD1 LEU 21 -3.239 4.364 -2.520 177 HD12 LEU 21 2HD1 LEU 21 -4.427 5.030 -1.400 178 HD13 LEU 21 3HD1 LEU 21 -4.833 3.623 -2.379 179 HD21 LEU 21 1HD2 LEU 21 -3.954 1.399 -1.808 180 HD22 LEU 21 2HD2 LEU 21 -2.803 1.195 -0.487 181 HD23 LEU 21 3HD2 LEU 21 -2.295 1.965 -1.992 182 H SER 22 H SER 22 -2.239 4.771 3.045 183 HA SER 22 HA SER 22 -4.913 4.209 3.800 184 HB2 SER 22 1HB SER 22 -2.930 3.299 4.989 185 HB3 SER 22 2HB SER 22 -2.553 4.919 5.573 186 HG SER 22 HG SER 22 -5.089 3.783 6.051 187 H ARG 23 H ARG 23 -2.821 7.078 4.284 188 HA ARG 23 HA ARG 23 -4.898 8.585 5.574 189 HB2 ARG 23 1HB ARG 23 -3.403 10.514 5.360 190 HB3 ARG 23 2HB ARG 23 -2.536 9.119 5.984 191 HG2 ARG 23 1HG ARG 23 -1.433 8.757 3.915 192 HG3 ARG 23 2HG ARG 23 -2.498 9.879 3.070 193 HD2 ARG 23 1HD ARG 23 -0.263 10.831 3.478 194 HD3 ARG 23 2HD ARG 23 -1.541 11.752 4.269 195 HE ARG 23 HE ARG 23 -0.875 10.537 6.356 196 HH11 ARG 23 1HH1 ARG 23 1.428 10.949 3.744 197 HH12 ARG 23 2HH1 ARG 23 2.805 10.909 4.792 198 HH21 ARG 23 1HH2 ARG 23 0.936 10.515 7.727 199 HH22 ARG 23 2HH2 ARG 23 2.528 10.682 7.059 200 H ARG 24 H ARG 24 -4.155 7.826 2.348 201 HA ARG 24 HA ARG 24 -5.278 10.196 1.146 202 HB2 ARG 24 1HB ARG 24 -3.423 8.741 0.177 203 HB3 ARG 24 2HB ARG 24 -4.668 7.564 -0.209 204 HG2 ARG 24 1HG ARG 24 -4.157 8.884 -2.154 205 HG3 ARG 24 2HG ARG 24 -5.797 9.251 -1.612 206 HD2 ARG 24 1HD ARG 24 -5.103 11.323 -0.652 207 HD3 ARG 24 2HD ARG 24 -3.398 10.912 -0.842 208 HE ARG 24 HE ARG 24 -4.755 10.942 -3.341 209 HH11 ARG 24 1HH1 ARG 24 -3.397 13.089 -0.914 210 HH12 ARG 24 2HH1 ARG 24 -2.978 14.311 -2.075 211 HH21 ARG 24 1HH2 ARG 24 -4.191 12.551 -4.845 212 HH22 ARG 24 2HH2 ARG 24 -3.428 14.013 -4.293 213 H THR 25 H THR 25 -6.216 6.760 1.274 214 HA THR 25 HA THR 25 -8.955 7.542 0.510 215 HB THR 25 HB THR 25 -7.585 4.870 0.093 216 HG1 THR 25 1HG THR 25 -7.936 7.146 -1.555 217 HG21 THR 25 1HG2 THR 25 -9.509 4.345 -1.324 218 HG22 THR 25 2HG2 THR 25 -10.226 5.912 -0.953 219 HG23 THR 25 3HG2 THR 25 -10.039 4.707 0.319 220 H GLY 26 H GLY 26 -10.247 7.558 2.233 221 HA2 GLY 26 1HA GLY 26 -9.749 6.091 4.633 222 HA3 GLY 26 2HA GLY 26 -11.195 7.021 4.256 223 H CYS 27 H CYS 27 -9.567 3.994 3.437 224 HA CYS 27 HA CYS 27 -12.071 2.521 3.616 225 HB2 CYS 27 2HB CYS 27 -10.437 2.704 1.070 226 HB3 CYS 27 1HB CYS 27 -11.654 1.471 1.358 227 H GLU 28 H GLU 28 -11.133 0.121 2.440 228 HA GLU 28 HA GLU 28 -8.783 -0.491 4.132 229 HB2 GLU 28 1HB GLU 28 -10.851 -1.687 4.814 230 HB3 GLU 28 2HB GLU 28 -10.969 -2.380 3.202 231 HG2 GLU 28 1HG GLU 28 -10.039 -3.973 4.787 232 HG3 GLU 28 2HG GLU 28 -8.868 -3.568 3.534 233 H VAL 29 H VAL 29 -7.069 -1.594 3.186 234 HA VAL 29 HA VAL 29 -7.259 -2.332 0.392 235 HB VAL 29 HB VAL 29 -6.873 0.082 0.248 236 HG11 VAL 29 1HG1 VAL 29 -4.325 -0.434 1.793 237 HG12 VAL 29 2HG1 VAL 29 -5.743 0.431 2.384 238 HG13 VAL 29 3HG1 VAL 29 -4.796 1.098 1.054 239 HG21 VAL 29 1HG2 VAL 29 -4.953 0.040 -1.244 240 HG22 VAL 29 2HG2 VAL 29 -5.926 -1.413 -1.468 241 HG23 VAL 29 3HG2 VAL 29 -4.419 -1.492 -0.553 242 H GLU 30 H GLU 30 -5.734 -3.706 -0.271 243 HA GLU 30 HA GLU 30 -3.669 -4.556 1.650 244 HB2 GLU 30 1HB GLU 30 -5.358 -6.292 1.184 245 HB3 GLU 30 2HB GLU 30 -5.077 -6.116 -0.544 246 HG2 GLU 30 1HG GLU 30 -3.974 -8.095 0.320 247 HG3 GLU 30 2HG GLU 30 -2.793 -6.924 -0.270 248 H VAL 31 H VAL 31 -1.571 -4.542 0.927 249 HA VAL 31 HA VAL 31 -1.156 -3.722 -1.871 250 HB VAL 31 HB VAL 31 -0.841 -1.800 -0.327 251 HG11 VAL 31 1HG1 VAL 31 1.066 -1.717 1.191 252 HG12 VAL 31 2HG1 VAL 31 1.459 -3.394 0.815 253 HG13 VAL 31 3HG1 VAL 31 -0.047 -3.006 1.649 254 HG21 VAL 31 1HG2 VAL 31 1.364 -1.106 -1.190 255 HG22 VAL 31 2HG2 VAL 31 0.348 -1.832 -2.433 256 HG23 VAL 31 3HG2 VAL 31 1.662 -2.764 -1.716 257 H GLU 32 H GLU 32 0.545 -4.640 -2.923 258 HA GLU 32 HA GLU 32 1.771 -6.943 -1.536 259 HB2 GLU 32 1HB GLU 32 0.102 -6.892 -3.774 260 HB3 GLU 32 2HB GLU 32 1.704 -7.056 -4.473 261 HG2 GLU 32 1HG GLU 32 0.569 -8.867 -2.349 262 HG3 GLU 32 2HG GLU 32 0.537 -9.204 -4.079 263 H CYS 33 H CYS 33 3.965 -7.367 -1.900 264 HA CYS 33 HA CYS 33 5.471 -5.085 -3.023 265 HB2 CYS 33 2HB CYS 33 6.209 -6.917 -0.729 266 HB3 CYS 33 1HB CYS 33 7.225 -5.627 -1.366 267 H GLU 34 H GLU 34 6.486 -5.591 -4.842 268 HA GLU 34 HA GLU 34 7.485 -8.341 -5.195 269 HB2 GLU 34 1HB GLU 34 6.731 -6.337 -7.335 270 HB3 GLU 34 2HB GLU 34 7.284 -7.983 -7.605 271 HG2 GLU 34 1HG GLU 34 5.297 -8.825 -6.413 272 HG3 GLU 34 2HG GLU 34 4.737 -7.164 -6.232 273 H THR 35 H THR 35 9.514 -8.654 -6.001 274 HA THR 35 HA THR 35 11.255 -6.468 -6.699 275 HB THR 35 HB THR 35 11.966 -8.177 -4.289 276 HG1 THR 35 1HG THR 35 10.705 -5.685 -4.504 277 HG21 THR 35 1HG2 THR 35 13.840 -6.621 -4.042 278 HG22 THR 35 2HG2 THR 35 13.320 -5.751 -5.485 279 HG23 THR 35 3HG2 THR 35 13.887 -7.415 -5.615 Start of MODEL 11 1 H1 CYS 1 1H CYS 1 -15.294 0.275 0.492 2 H2 CYS 1 2H CYS 1 -14.487 -0.937 1.357 3 H3 CYS 1 3H CYS 1 -14.799 -1.136 -0.294 4 HA CYS 1 HA CYS 1 -13.312 0.614 -0.871 5 HB2 CYS 1 2HB CYS 1 -13.579 1.168 1.997 6 HB3 CYS 1 1HB CYS 1 -11.923 1.244 1.431 7 H LYS 2 H LYS 2 -13.349 -2.310 -0.403 8 HA LYS 2 HA LYS 2 -10.760 -2.980 0.675 9 HB2 LYS 2 1HB LYS 2 -12.821 -4.447 0.860 10 HB3 LYS 2 2HB LYS 2 -12.659 -4.779 -0.858 11 HG2 LYS 2 1HG LYS 2 -10.344 -5.289 0.967 12 HG3 LYS 2 2HG LYS 2 -11.688 -6.431 0.923 13 HD2 LYS 2 1HD LYS 2 -10.046 -5.568 -1.473 14 HD3 LYS 2 2HD LYS 2 -9.839 -7.081 -0.591 15 HE2 LYS 2 1HE LYS 2 -12.219 -7.645 -1.160 16 HE3 LYS 2 2HE LYS 2 -12.257 -6.210 -2.182 17 HZ1 LYS 2 1HZ LYS 2 -11.787 -8.155 -3.494 18 HZ2 LYS 2 2HZ LYS 2 -10.466 -8.558 -2.524 19 HZ3 LYS 2 3HZ LYS 2 -10.420 -7.161 -3.476 20 H GLN 3 H GLN 3 -8.999 -2.567 -0.455 21 HA GLN 3 HA GLN 3 -9.012 -3.073 -3.358 22 HB2 GLN 3 1HB GLN 3 -9.234 -0.692 -3.128 23 HB3 GLN 3 2HB GLN 3 -7.964 -0.636 -1.919 24 HG2 GLN 3 1HG GLN 3 -6.320 -1.278 -3.617 25 HG3 GLN 3 2HG GLN 3 -7.597 -1.327 -4.831 26 HE21 GLN 3 1HE2 GLN 3 -6.007 2.208 -3.598 27 HE22 GLN 3 2HE2 GLN 3 -5.664 0.724 -2.780 28 H ARG 4 H ARG 4 -7.083 -3.761 -4.228 29 HA ARG 4 HA ARG 4 -4.835 -4.241 -2.385 30 HB2 ARG 4 1HB ARG 4 -6.147 -6.156 -4.303 31 HB3 ARG 4 2HB ARG 4 -4.445 -6.337 -3.898 32 HG2 ARG 4 1HG ARG 4 -5.005 -6.600 -1.546 33 HG3 ARG 4 2HG ARG 4 -6.716 -6.346 -1.908 34 HD2 ARG 4 1HD ARG 4 -6.007 -8.755 -1.645 35 HD3 ARG 4 2HD ARG 4 -6.850 -8.366 -3.146 36 HE ARG 4 HE ARG 4 -3.901 -8.538 -3.029 37 HH11 ARG 4 1HH1 ARG 4 -6.970 -9.481 -4.437 38 HH12 ARG 4 2HH1 ARG 4 -6.244 -10.358 -5.746 39 HH21 ARG 4 1HH2 ARG 4 -2.945 -9.694 -4.732 40 HH22 ARG 4 2HH2 ARG 4 -3.946 -10.499 -5.902 41 H ARG 5 H ARG 5 -2.896 -3.690 -3.151 42 HA ARG 5 HA ARG 5 -2.611 -3.066 -6.016 43 HB2 ARG 5 1HB ARG 5 -1.617 -1.400 -3.681 44 HB3 ARG 5 2HB ARG 5 -1.171 -1.125 -5.360 45 HG2 ARG 5 1HG ARG 5 -3.969 -0.965 -4.242 46 HG3 ARG 5 2HG ARG 5 -2.925 0.412 -4.608 47 HD2 ARG 5 1HD ARG 5 -2.961 -0.085 -6.946 48 HD3 ARG 5 2HD ARG 5 -3.745 -1.640 -6.665 49 HE ARG 5 HE ARG 5 -5.312 0.554 -5.719 50 HH11 ARG 5 1HH1 ARG 5 -4.411 -1.202 -8.601 51 HH12 ARG 5 2HH1 ARG 5 -5.901 -0.871 -9.430 52 HH21 ARG 5 1HH2 ARG 5 -7.305 0.975 -6.782 53 HH22 ARG 5 2HH2 ARG 5 -7.553 0.352 -8.386 54 H ARG 6 H ARG 6 -0.703 -3.695 -6.919 55 HA ARG 6 HA ARG 6 1.229 -4.989 -5.117 56 HB2 ARG 6 1HB ARG 6 1.816 -6.516 -6.884 57 HB3 ARG 6 2HB ARG 6 0.075 -6.561 -6.658 58 HG2 ARG 6 1HG ARG 6 -0.166 -5.062 -8.627 59 HG3 ARG 6 2HG ARG 6 1.577 -5.182 -8.880 60 HD2 ARG 6 1HD ARG 6 0.520 -6.775 -10.320 61 HD3 ARG 6 2HD ARG 6 1.305 -7.668 -9.017 62 HE ARG 6 HE ARG 6 -1.590 -7.115 -9.145 63 HH11 ARG 6 1HH1 ARG 6 1.082 -9.187 -8.202 64 HH12 ARG 6 2HH1 ARG 6 0.047 -10.452 -7.617 65 HH21 ARG 6 1HH2 ARG 6 -2.938 -8.778 -8.388 66 HH22 ARG 6 2HH2 ARG 6 -2.238 -10.225 -7.728 67 H TYR 7 H TYR 7 3.327 -4.439 -5.253 68 HA TYR 7 HA TYR 7 4.002 -2.191 -7.048 69 HB2 TYR 7 2HB TYR 7 3.242 -1.525 -4.677 70 HB3 TYR 7 1HB TYR 7 4.729 -2.272 -4.108 71 HD1 TYR 7 1HD TYR 7 6.863 -1.165 -4.413 72 HD2 TYR 7 2HD TYR 7 3.306 0.525 -6.032 73 HE1 TYR 7 1HE TYR 7 8.056 0.946 -4.816 74 HE2 TYR 7 2HE TYR 7 4.495 2.639 -6.441 75 HH TYR 7 HH TYR 7 7.921 2.900 -6.182 76 H ARG 8 H ARG 8 6.384 -1.807 -7.144 77 HA ARG 8 HA ARG 8 7.965 -4.204 -6.460 78 HB2 ARG 8 1HB ARG 8 9.414 -3.675 -8.412 79 HB3 ARG 8 2HB ARG 8 7.766 -4.084 -8.868 80 HG2 ARG 8 1HG ARG 8 7.254 -1.707 -9.168 81 HG3 ARG 8 2HG ARG 8 8.910 -1.295 -8.714 82 HD2 ARG 8 1HD ARG 8 8.114 -2.994 -11.080 83 HD3 ARG 8 2HD ARG 8 8.573 -1.294 -11.149 84 HE ARG 8 HE ARG 8 10.688 -2.519 -9.926 85 HH11 ARG 8 1HH1 ARG 8 8.994 -2.993 -12.947 86 HH12 ARG 8 2HH1 ARG 8 10.404 -3.534 -13.804 87 HH21 ARG 8 1HH2 ARG 8 12.552 -3.222 -11.051 88 HH22 ARG 8 2HH2 ARG 8 12.425 -3.654 -12.729 89 H GLY 9 H GLY 9 9.297 -3.781 -4.835 90 HA2 GLY 9 1HA GLY 9 11.324 -1.992 -4.717 91 HA3 GLY 9 2HA GLY 9 9.955 -1.058 -4.130 92 H SER 10 H SER 10 11.546 -1.040 -2.264 93 HA SER 10 HA SER 10 11.719 -3.448 -0.680 94 HB2 SER 10 1HB SER 10 12.561 -0.619 0.019 95 HB3 SER 10 2HB SER 10 13.076 -2.103 0.824 96 HG SER 10 HG SER 10 14.488 -2.438 -0.711 97 H GLU 11 H GLU 11 11.198 -3.262 1.725 98 HA GLU 11 HA GLU 11 8.448 -2.993 2.049 99 HB2 GLU 11 1HB GLU 11 8.897 -3.200 4.501 100 HB3 GLU 11 2HB GLU 11 9.644 -4.448 3.512 101 HG2 GLU 11 1HG GLU 11 11.795 -3.368 3.691 102 HG3 GLU 11 2HG GLU 11 11.076 -2.017 4.572 103 H GLU 12 H GLU 12 10.978 -0.597 2.431 104 HA GLU 12 HA GLU 12 9.636 1.374 3.814 105 HB2 GLU 12 1HB GLU 12 11.645 1.413 1.563 106 HB3 GLU 12 2HB GLU 12 11.038 2.871 2.283 107 HG2 GLU 12 1HG GLU 12 13.128 2.405 3.295 108 HG3 GLU 12 2HG GLU 12 11.873 2.088 4.489 109 H GLU 13 H GLU 13 9.786 0.756 0.321 110 HA GLU 13 HA GLU 13 7.951 2.712 -0.489 111 HB2 GLU 13 1HB GLU 13 8.507 0.048 -1.832 112 HB3 GLU 13 2HB GLU 13 7.820 1.478 -2.591 113 HG2 GLU 13 1HG GLU 13 10.622 1.171 -1.526 114 HG3 GLU 13 2HG GLU 13 10.132 1.240 -3.218 115 H CYS 14 H CYS 14 7.540 -0.715 0.294 116 HA CYS 14 HA CYS 14 4.858 -1.023 -0.391 117 HB2 CYS 14 2HB CYS 14 6.131 -2.383 1.986 118 HB3 CYS 14 1HB CYS 14 4.904 -3.019 0.894 119 H ARG 15 H ARG 15 6.193 -0.362 2.855 120 HA ARG 15 HA ARG 15 3.618 -0.160 4.052 121 HB2 ARG 15 1HB ARG 15 6.324 0.659 5.139 122 HB3 ARG 15 2HB ARG 15 4.843 0.534 6.083 123 HG2 ARG 15 1HG ARG 15 4.724 -1.877 5.494 124 HG3 ARG 15 2HG ARG 15 6.287 -1.719 4.690 125 HD2 ARG 15 1HD ARG 15 6.606 -2.608 6.917 126 HD3 ARG 15 2HD ARG 15 7.280 -0.981 6.827 127 HE ARG 15 HE ARG 15 4.877 -0.435 7.799 128 HH11 ARG 15 1HH1 ARG 15 7.059 -3.041 8.700 129 HH12 ARG 15 2HH1 ARG 15 6.536 -3.059 10.357 130 HH21 ARG 15 1HH2 ARG 15 4.200 -0.482 9.989 131 HH22 ARG 15 2HH2 ARG 15 4.931 -1.615 11.084 132 H LYS 16 H LYS 16 5.951 2.231 2.871 133 HA LYS 16 HA LYS 16 4.571 4.489 3.905 134 HB2 LYS 16 1HB LYS 16 6.601 4.168 1.700 135 HB3 LYS 16 2HB LYS 16 5.878 5.732 2.065 136 HG2 LYS 16 1HG LYS 16 7.458 4.024 3.991 137 HG3 LYS 16 2HG LYS 16 8.044 5.469 3.161 138 HD2 LYS 16 1HD LYS 16 6.316 6.811 4.293 139 HD3 LYS 16 2HD LYS 16 5.746 5.366 5.127 140 HE2 LYS 16 1HE LYS 16 7.874 5.151 6.278 141 HE3 LYS 16 2HE LYS 16 8.524 6.527 5.385 142 HZ1 LYS 16 1HZ LYS 16 7.820 7.187 7.588 143 HZ2 LYS 16 2HZ LYS 16 6.254 6.615 7.299 144 HZ3 LYS 16 3HZ LYS 16 6.848 7.936 6.424 145 H TYR 17 H TYR 17 4.449 2.809 0.787 146 HA TYR 17 HA TYR 17 2.623 4.494 -0.502 147 HB2 TYR 17 2HB TYR 17 3.852 2.709 -1.667 148 HB3 TYR 17 1HB TYR 17 2.957 1.490 -0.774 149 HD1 TYR 17 1HD TYR 17 0.886 0.697 -1.569 150 HD2 TYR 17 2HD TYR 17 2.559 4.229 -3.270 151 HE1 TYR 17 1HE TYR 17 -0.833 0.656 -3.326 152 HE2 TYR 17 2HE TYR 17 0.845 4.191 -5.032 153 HH TYR 17 HH TYR 17 -0.643 2.575 -6.124 154 H ALA 18 H ALA 18 2.056 1.563 1.447 155 HA ALA 18 HA ALA 18 -0.746 1.603 1.412 156 HB1 ALA 18 1HB ALA 18 -0.617 0.196 3.411 157 HB2 ALA 18 2HB ALA 18 1.080 0.627 3.612 158 HB3 ALA 18 3HB ALA 18 0.568 -0.302 2.207 159 H GLU 19 H GLU 19 1.523 3.069 3.704 160 HA GLU 19 HA GLU 19 -0.321 4.073 5.545 161 HB2 GLU 19 1HB GLU 19 2.075 3.904 6.005 162 HB3 GLU 19 2HB GLU 19 2.417 5.124 4.786 163 HG2 GLU 19 1HG GLU 19 1.187 6.782 6.124 164 HG3 GLU 19 2HG GLU 19 0.887 5.550 7.348 165 H GLU 20 H GLU 20 1.286 5.745 2.851 166 HA GLU 20 HA GLU 20 0.009 8.223 3.251 167 HB2 GLU 20 1HB GLU 20 1.346 7.076 0.785 168 HB3 GLU 20 2HB GLU 20 0.859 8.759 0.959 169 HG2 GLU 20 1HG GLU 20 2.362 8.982 2.891 170 HG3 GLU 20 2HG GLU 20 2.861 7.306 2.686 171 H LEU 21 H LEU 21 -0.756 5.486 1.147 172 HA LEU 21 HA LEU 21 -2.933 6.649 -0.210 173 HB2 LEU 21 1HB LEU 21 -1.657 4.428 -0.644 174 HB3 LEU 21 2HB LEU 21 -2.777 3.719 0.499 175 HG LEU 21 HG LEU 21 -3.611 5.105 -2.065 176 HD11 LEU 21 1HD1 LEU 21 -4.033 2.872 -2.957 177 HD12 LEU 21 2HD1 LEU 21 -3.362 2.153 -1.492 178 HD13 LEU 21 3HD1 LEU 21 -2.327 3.099 -2.564 179 HD21 LEU 21 1HD2 LEU 21 -5.196 3.396 -0.138 180 HD22 LEU 21 2HD2 LEU 21 -5.783 4.029 -1.678 181 HD23 LEU 21 3HD2 LEU 21 -5.362 5.135 -0.372 182 H SER 22 H SER 22 -2.792 4.703 2.760 183 HA SER 22 HA SER 22 -5.580 4.582 3.182 184 HB2 SER 22 1HB SER 22 -3.953 3.008 4.199 185 HB3 SER 22 2HB SER 22 -3.349 4.312 5.224 186 HG SER 22 HG SER 22 -5.429 4.449 6.152 187 H ARG 23 H ARG 23 -3.118 6.896 4.263 188 HA ARG 23 HA ARG 23 -4.966 8.268 6.000 189 HB2 ARG 23 1HB ARG 23 -3.189 9.845 6.432 190 HB3 ARG 23 2HB ARG 23 -2.533 8.215 6.489 191 HG2 ARG 23 1HG ARG 23 -1.659 8.519 4.204 192 HG3 ARG 23 2HG ARG 23 -2.257 10.181 4.221 193 HD2 ARG 23 1HD ARG 23 -0.224 9.011 6.128 194 HD3 ARG 23 2HD ARG 23 0.138 10.062 4.761 195 HE ARG 23 HE ARG 23 -1.722 11.314 6.498 196 HH11 ARG 23 1HH1 ARG 23 1.671 10.471 6.269 197 HH12 ARG 23 2HH1 ARG 23 2.191 11.768 7.305 198 HH21 ARG 23 1HH2 ARG 23 -1.030 13.009 7.882 199 HH22 ARG 23 2HH2 ARG 23 0.663 13.202 8.212 200 H ARG 24 H ARG 24 -3.940 8.537 2.661 201 HA ARG 24 HA ARG 24 -5.082 11.136 2.254 202 HB2 ARG 24 1HB ARG 24 -3.352 10.150 0.738 203 HB3 ARG 24 2HB ARG 24 -4.550 8.982 0.186 204 HG2 ARG 24 1HG ARG 24 -5.962 10.880 -0.593 205 HG3 ARG 24 2HG ARG 24 -4.656 11.981 -0.154 206 HD2 ARG 24 1HD ARG 24 -4.501 11.573 -2.498 207 HD3 ARG 24 2HD ARG 24 -3.173 10.716 -1.722 208 HE ARG 24 HE ARG 24 -4.104 8.713 -2.363 209 HH11 ARG 24 1HH1 ARG 24 -6.403 11.296 -2.932 210 HH12 ARG 24 2HH1 ARG 24 -7.478 10.306 -3.864 211 HH21 ARG 24 1HH2 ARG 24 -5.510 7.412 -3.602 212 HH22 ARG 24 2HH2 ARG 24 -6.964 8.099 -4.259 213 H THR 25 H THR 25 -6.154 7.832 1.482 214 HA THR 25 HA THR 25 -8.921 8.828 1.253 215 HB THR 25 HB THR 25 -7.689 6.518 -0.284 216 HG1 THR 25 1HG THR 25 -8.292 9.208 -0.984 217 HG21 THR 25 1HG2 THR 25 -10.084 6.196 0.145 218 HG22 THR 25 2HG2 THR 25 -9.797 6.552 -1.559 219 HG23 THR 25 3HG2 THR 25 -10.420 7.808 -0.490 220 H GLY 26 H GLY 26 -10.313 7.972 2.649 221 HA2 GLY 26 1HA GLY 26 -9.440 6.057 4.595 222 HA3 GLY 26 2HA GLY 26 -11.029 6.797 4.491 223 H CYS 27 H CYS 27 -8.987 4.284 3.108 224 HA CYS 27 HA CYS 27 -11.358 2.574 2.843 225 HB2 CYS 27 2HB CYS 27 -9.223 2.982 0.733 226 HB3 CYS 27 1HB CYS 27 -10.388 1.665 0.703 227 H GLU 28 H GLU 28 -10.453 0.201 2.257 228 HA GLU 28 HA GLU 28 -8.211 -0.268 4.099 229 HB2 GLU 28 1HB GLU 28 -9.188 -2.549 4.445 230 HB3 GLU 28 2HB GLU 28 -10.160 -1.238 5.081 231 HG2 GLU 28 1HG GLU 28 -10.735 -2.437 2.396 232 HG3 GLU 28 2HG GLU 28 -11.325 -3.184 3.873 233 H VAL 29 H VAL 29 -6.493 -0.441 2.899 234 HA VAL 29 HA VAL 29 -6.638 -1.920 0.350 235 HB VAL 29 HB VAL 29 -4.692 0.283 1.092 236 HG11 VAL 29 1HG1 VAL 29 -3.792 -1.280 -0.552 237 HG12 VAL 29 2HG1 VAL 29 -4.125 0.281 -1.299 238 HG13 VAL 29 3HG1 VAL 29 -5.226 -1.073 -1.559 239 HG21 VAL 29 1HG2 VAL 29 -5.958 1.723 -0.437 240 HG22 VAL 29 2HG2 VAL 29 -6.952 1.187 0.916 241 HG23 VAL 29 3HG2 VAL 29 -7.144 0.441 -0.664 242 H GLU 30 H GLU 30 -5.204 -3.506 -0.015 243 HA GLU 30 HA GLU 30 -3.096 -3.993 1.987 244 HB2 GLU 30 1HB GLU 30 -4.786 -5.794 1.873 245 HB3 GLU 30 2HB GLU 30 -4.487 -5.969 0.149 246 HG2 GLU 30 1HG GLU 30 -3.372 -7.718 1.406 247 HG3 GLU 30 2HG GLU 30 -2.195 -6.677 0.607 248 H VAL 31 H VAL 31 -1.016 -4.163 1.258 249 HA VAL 31 HA VAL 31 -0.605 -3.708 -1.631 250 HB VAL 31 HB VAL 31 1.087 -2.603 0.630 251 HG11 VAL 31 1HG1 VAL 31 2.240 -1.333 -1.128 252 HG12 VAL 31 2HG1 VAL 31 1.258 -2.129 -2.357 253 HG13 VAL 31 3HG1 VAL 31 2.392 -3.070 -1.390 254 HG21 VAL 31 1HG2 VAL 31 -1.094 -1.491 0.510 255 HG22 VAL 31 2HG2 VAL 31 -0.847 -1.173 -1.208 256 HG23 VAL 31 3HG2 VAL 31 0.198 -0.408 -0.011 257 H GLU 32 H GLU 32 0.404 -5.300 -2.577 258 HA GLU 32 HA GLU 32 2.288 -6.966 -1.041 259 HB2 GLU 32 1HB GLU 32 1.784 -8.708 -2.820 260 HB3 GLU 32 2HB GLU 32 0.465 -8.339 -1.719 261 HG2 GLU 32 1HG GLU 32 -0.455 -6.798 -3.473 262 HG3 GLU 32 2HG GLU 32 0.778 -7.414 -4.570 263 H CYS 33 H CYS 33 4.340 -6.592 -1.540 264 HA CYS 33 HA CYS 33 4.926 -5.374 -4.157 265 HB2 CYS 33 2HB CYS 33 6.914 -4.349 -2.912 266 HB3 CYS 33 1HB CYS 33 5.315 -3.716 -2.532 267 H GLU 34 H GLU 34 6.627 -6.041 -5.322 268 HA GLU 34 HA GLU 34 8.048 -8.468 -4.437 269 HB2 GLU 34 1HB GLU 34 7.564 -7.536 -7.285 270 HB3 GLU 34 2HB GLU 34 8.201 -9.092 -6.774 271 HG2 GLU 34 1HG GLU 34 5.407 -8.128 -6.178 272 HG3 GLU 34 2HG GLU 34 5.835 -9.131 -7.560 273 H THR 35 H THR 35 10.225 -8.592 -5.820 274 HA THR 35 HA THR 35 11.609 -6.074 -5.289 275 HB THR 35 HB THR 35 12.652 -7.986 -4.279 276 HG1 THR 35 1HG THR 35 14.144 -7.172 -6.571 277 HG21 THR 35 1HG2 THR 35 13.527 -9.890 -5.560 278 HG22 THR 35 2HG2 THR 35 12.820 -9.228 -7.034 279 HG23 THR 35 3HG2 THR 35 11.774 -9.765 -5.720 Start of MODEL 12 1 H1 CYS 1 1H CYS 1 -15.842 0.773 1.719 2 H2 CYS 1 2H CYS 1 -14.539 0.598 2.781 3 H3 CYS 1 3H CYS 1 -15.074 -0.725 1.877 4 HA CYS 1 HA CYS 1 -14.394 0.316 -0.156 5 HB2 CYS 1 2HB CYS 1 -14.807 2.634 0.595 6 HB3 CYS 1 1HB CYS 1 -13.405 2.538 1.649 7 H LYS 2 H LYS 2 -13.040 -1.316 -0.401 8 HA LYS 2 HA LYS 2 -10.368 -1.136 0.777 9 HB2 LYS 2 1HB LYS 2 -11.502 -2.676 2.271 10 HB3 LYS 2 2HB LYS 2 -12.113 -3.613 0.913 11 HG2 LYS 2 1HG LYS 2 -9.805 -4.227 0.316 12 HG3 LYS 2 2HG LYS 2 -9.215 -3.322 1.709 13 HD2 LYS 2 1HD LYS 2 -11.093 -5.692 1.846 14 HD3 LYS 2 2HD LYS 2 -9.351 -5.766 2.109 15 HE2 LYS 2 1HE LYS 2 -9.655 -4.112 3.978 16 HE3 LYS 2 2HE LYS 2 -11.396 -4.298 3.775 17 HZ1 LYS 2 1HZ LYS 2 -10.511 -5.718 5.533 18 HZ2 LYS 2 2HZ LYS 2 -9.505 -6.496 4.422 19 HZ3 LYS 2 3HZ LYS 2 -11.186 -6.637 4.286 20 H GLN 3 H GLN 3 -8.754 -1.922 -0.520 21 HA GLN 3 HA GLN 3 -9.389 -3.533 -2.864 22 HB2 GLN 3 1HB GLN 3 -8.374 -2.006 -4.461 23 HB3 GLN 3 2HB GLN 3 -9.706 -1.195 -3.645 24 HG2 GLN 3 1HG GLN 3 -8.122 -0.030 -2.194 25 HG3 GLN 3 2HG GLN 3 -6.781 -0.862 -2.980 26 HE21 GLN 3 1HE2 GLN 3 -8.522 2.376 -4.684 27 HE22 GLN 3 2HE2 GLN 3 -9.208 1.604 -3.291 28 H ARG 4 H ARG 4 -7.351 -4.244 -3.978 29 HA ARG 4 HA ARG 4 -4.972 -3.934 -2.276 30 HB2 ARG 4 1HB ARG 4 -4.257 -6.247 -2.969 31 HB3 ARG 4 2HB ARG 4 -5.608 -6.182 -1.852 32 HG2 ARG 4 1HG ARG 4 -6.141 -6.390 -4.783 33 HG3 ARG 4 2HG ARG 4 -5.634 -7.822 -3.882 34 HD2 ARG 4 1HD ARG 4 -8.043 -6.087 -3.333 35 HD3 ARG 4 2HD ARG 4 -8.039 -7.742 -3.946 36 HE ARG 4 HE ARG 4 -6.696 -7.885 -1.561 37 HH11 ARG 4 1HH1 ARG 4 -9.868 -6.779 -2.560 38 HH12 ARG 4 2HH1 ARG 4 -10.625 -7.208 -1.058 39 HH21 ARG 4 1HH2 ARG 4 -7.678 -8.429 0.419 40 HH22 ARG 4 2HH2 ARG 4 -9.375 -8.138 0.650 41 H ARG 5 H ARG 5 -3.032 -3.767 -3.265 42 HA ARG 5 HA ARG 5 -2.935 -3.699 -6.200 43 HB2 ARG 5 1HB ARG 5 -1.848 -1.549 -4.347 44 HB3 ARG 5 2HB ARG 5 -1.561 -1.625 -6.079 45 HG2 ARG 5 1HG ARG 5 -4.282 -1.315 -4.812 46 HG3 ARG 5 2HG ARG 5 -3.294 0.021 -5.406 47 HD2 ARG 5 1HD ARG 5 -3.354 -0.938 -7.662 48 HD3 ARG 5 2HD ARG 5 -4.332 -2.282 -7.067 49 HE ARG 5 HE ARG 5 -6.022 -0.528 -6.464 50 HH11 ARG 5 1HH1 ARG 5 -3.745 0.007 -9.081 51 HH12 ARG 5 2HH1 ARG 5 -4.776 1.131 -9.901 52 HH21 ARG 5 1HH2 ARG 5 -7.366 0.933 -7.559 53 HH22 ARG 5 2HH2 ARG 5 -6.821 1.671 -9.031 54 H ARG 6 H ARG 6 -0.802 -4.140 -7.023 55 HA ARG 6 HA ARG 6 1.054 -5.117 -4.959 56 HB2 ARG 6 1HB ARG 6 1.976 -6.686 -6.560 57 HB3 ARG 6 2HB ARG 6 0.247 -6.933 -6.387 58 HG2 ARG 6 1HG ARG 6 -0.160 -5.859 -8.513 59 HG3 ARG 6 2HG ARG 6 1.556 -5.471 -8.675 60 HD2 ARG 6 1HD ARG 6 2.075 -7.889 -8.618 61 HD3 ARG 6 2HD ARG 6 0.348 -8.235 -8.551 62 HE ARG 6 HE ARG 6 0.196 -7.158 -10.780 63 HH11 ARG 6 1HH1 ARG 6 3.295 -8.380 -9.670 64 HH12 ARG 6 2HH1 ARG 6 3.876 -8.715 -11.272 65 HH21 ARG 6 1HH2 ARG 6 0.975 -7.596 -12.895 66 HH22 ARG 6 2HH2 ARG 6 2.577 -8.237 -13.105 67 H TYR 7 H TYR 7 2.972 -4.291 -4.811 68 HA TYR 7 HA TYR 7 3.692 -2.085 -6.640 69 HB2 TYR 7 2HB TYR 7 2.948 -1.469 -4.306 70 HB3 TYR 7 1HB TYR 7 4.298 -2.396 -3.674 71 HD1 TYR 7 1HD TYR 7 6.437 -1.402 -3.453 72 HD2 TYR 7 2HD TYR 7 3.428 0.569 -5.734 73 HE1 TYR 7 1HE TYR 7 7.839 0.614 -3.549 74 HE2 TYR 7 2HE TYR 7 4.827 2.588 -5.839 75 HH TYR 7 HH TYR 7 8.118 2.606 -4.907 76 H ARG 8 H ARG 8 6.128 -1.654 -6.627 77 HA ARG 8 HA ARG 8 7.694 -4.046 -5.976 78 HB2 ARG 8 1HB ARG 8 8.981 -3.885 -8.038 79 HB3 ARG 8 2HB ARG 8 7.279 -4.112 -8.398 80 HG2 ARG 8 1HG ARG 8 7.060 -1.735 -8.922 81 HG3 ARG 8 2HG ARG 8 8.771 -1.495 -8.548 82 HD2 ARG 8 1HD ARG 8 9.347 -3.115 -10.333 83 HD3 ARG 8 2HD ARG 8 7.636 -3.245 -10.735 84 HE ARG 8 HE ARG 8 9.070 -0.672 -10.912 85 HH11 ARG 8 1HH1 ARG 8 7.034 -3.150 -12.325 86 HH12 ARG 8 2HH1 ARG 8 6.837 -2.310 -13.834 87 HH21 ARG 8 1HH2 ARG 8 8.784 0.459 -12.893 88 HH22 ARG 8 2HH2 ARG 8 7.816 -0.251 -14.147 89 H GLY 9 H GLY 9 9.398 -3.617 -4.782 90 HA2 GLY 9 1HA GLY 9 11.274 -1.699 -4.850 91 HA3 GLY 9 2HA GLY 9 9.934 -0.830 -4.113 92 H SER 10 H SER 10 11.452 -0.616 -2.302 93 HA SER 10 HA SER 10 12.096 -3.025 -0.807 94 HB2 SER 10 1HB SER 10 13.307 -1.417 0.681 95 HB3 SER 10 2HB SER 10 13.820 -1.331 -1.004 96 HG SER 10 HG SER 10 13.433 0.745 0.010 97 H GLU 11 H GLU 11 11.825 -2.865 1.644 98 HA GLU 11 HA GLU 11 9.239 -2.909 2.523 99 HB2 GLU 11 1HB GLU 11 11.718 -2.079 4.052 100 HB3 GLU 11 2HB GLU 11 10.175 -2.424 4.816 101 HG2 GLU 11 1HG GLU 11 11.729 -4.403 3.164 102 HG3 GLU 11 2HG GLU 11 11.819 -4.282 4.920 103 H GLU 12 H GLU 12 11.458 -0.159 2.679 104 HA GLU 12 HA GLU 12 9.887 1.700 3.981 105 HB2 GLU 12 1HB GLU 12 12.243 2.063 3.522 106 HB3 GLU 12 2HB GLU 12 11.937 2.097 1.792 107 HG2 GLU 12 1HG GLU 12 10.576 4.147 2.117 108 HG3 GLU 12 2HG GLU 12 11.027 4.130 3.823 109 H GLU 13 H GLU 13 10.391 1.606 0.462 110 HA GLU 13 HA GLU 13 8.466 3.410 -0.322 111 HB2 GLU 13 1HB GLU 13 9.428 0.906 -1.727 112 HB3 GLU 13 2HB GLU 13 8.490 2.171 -2.507 113 HG2 GLU 13 1HG GLU 13 11.135 2.707 -1.182 114 HG3 GLU 13 2HG GLU 13 10.996 2.210 -2.867 115 H CYS 14 H CYS 14 8.137 -0.068 0.148 116 HA CYS 14 HA CYS 14 5.546 -0.379 -0.862 117 HB2 CYS 14 2HB CYS 14 7.106 -2.242 -0.510 118 HB3 CYS 14 1HB CYS 14 7.004 -2.013 1.232 119 H ARG 15 H ARG 15 6.588 -0.209 2.550 120 HA ARG 15 HA ARG 15 3.927 -0.398 3.512 121 HB2 ARG 15 1HB ARG 15 6.447 0.378 4.982 122 HB3 ARG 15 2HB ARG 15 4.909 -0.059 5.732 123 HG2 ARG 15 1HG ARG 15 5.064 -2.264 4.534 124 HG3 ARG 15 2HG ARG 15 6.704 -1.817 4.069 125 HD2 ARG 15 1HD ARG 15 7.276 -1.608 6.470 126 HD3 ARG 15 2HD ARG 15 5.653 -2.186 6.871 127 HE ARG 15 HE ARG 15 7.577 -3.757 5.291 128 HH11 ARG 15 1HH1 ARG 15 5.170 -3.563 7.828 129 HH12 ARG 15 2HH1 ARG 15 5.186 -5.270 8.135 130 HH21 ARG 15 1HH2 ARG 15 7.606 -5.975 5.694 131 HH22 ARG 15 2HH2 ARG 15 6.563 -6.651 6.909 132 H LYS 16 H LYS 16 6.179 2.305 3.053 133 HA LYS 16 HA LYS 16 4.692 4.348 4.150 134 HB2 LYS 16 1HB LYS 16 7.075 4.277 3.085 135 HB3 LYS 16 2HB LYS 16 6.238 4.638 1.580 136 HG2 LYS 16 1HG LYS 16 5.324 6.648 2.574 137 HG3 LYS 16 2HG LYS 16 6.148 6.267 4.082 138 HD2 LYS 16 1HD LYS 16 8.306 6.531 3.045 139 HD3 LYS 16 2HD LYS 16 7.570 6.703 1.451 140 HE2 LYS 16 1HE LYS 16 7.145 8.618 3.747 141 HE3 LYS 16 2HE LYS 16 8.321 8.855 2.456 142 HZ1 LYS 16 1HZ LYS 16 5.375 8.664 2.115 143 HZ2 LYS 16 2HZ LYS 16 6.490 8.846 0.860 144 HZ3 LYS 16 3HZ LYS 16 6.302 10.072 2.009 145 H TYR 17 H TYR 17 4.703 3.092 0.813 146 HA TYR 17 HA TYR 17 2.700 4.702 -0.261 147 HB2 TYR 17 2HB TYR 17 4.171 3.226 -1.596 148 HB3 TYR 17 1HB TYR 17 3.357 1.815 -0.934 149 HD1 TYR 17 1HD TYR 17 1.454 0.935 -2.010 150 HD2 TYR 17 2HD TYR 17 2.765 4.872 -2.987 151 HE1 TYR 17 1HE TYR 17 -0.156 1.005 -3.868 152 HE2 TYR 17 2HE TYR 17 1.157 4.950 -4.847 153 HH TYR 17 HH TYR 17 -0.045 3.317 -6.315 154 H ALA 18 H ALA 18 2.475 1.608 1.446 155 HA ALA 18 HA ALA 18 -0.262 1.135 1.151 156 HB1 ALA 18 1HB ALA 18 -0.045 -0.320 3.120 157 HB2 ALA 18 2HB ALA 18 1.541 0.376 3.454 158 HB3 ALA 18 3HB ALA 18 1.279 -0.555 1.980 159 H GLU 19 H GLU 19 1.364 2.592 4.002 160 HA GLU 19 HA GLU 19 -1.026 3.112 5.388 161 HB2 GLU 19 1HB GLU 19 0.339 4.590 6.834 162 HB3 GLU 19 2HB GLU 19 1.088 3.022 6.572 163 HG2 GLU 19 1HG GLU 19 2.696 3.933 5.083 164 HG3 GLU 19 2HG GLU 19 1.835 5.467 4.985 165 H GLU 20 H GLU 20 0.935 5.191 3.275 166 HA GLU 20 HA GLU 20 -0.531 7.555 3.819 167 HB2 GLU 20 1HB GLU 20 1.184 6.898 1.411 168 HB3 GLU 20 2HB GLU 20 0.639 8.506 1.880 169 HG2 GLU 20 1HG GLU 20 1.864 8.257 4.016 170 HG3 GLU 20 2HG GLU 20 2.487 6.711 3.447 171 H LEU 21 H LEU 21 -0.715 5.169 1.182 172 HA LEU 21 HA LEU 21 -2.755 6.413 -0.289 173 HB2 LEU 21 1HB LEU 21 -1.339 4.414 -0.970 174 HB3 LEU 21 2HB LEU 21 -2.384 3.427 0.027 175 HG LEU 21 HG LEU 21 -3.397 5.054 -2.321 176 HD11 LEU 21 1HD1 LEU 21 -2.590 2.144 -2.244 177 HD12 LEU 21 2HD1 LEU 21 -1.780 3.434 -3.133 178 HD13 LEU 21 3HD1 LEU 21 -3.414 2.949 -3.583 179 HD21 LEU 21 1HD2 LEU 21 -5.128 4.451 -0.708 180 HD22 LEU 21 2HD2 LEU 21 -4.628 2.761 -0.778 181 HD23 LEU 21 3HD2 LEU 21 -5.328 3.532 -2.199 182 H SER 22 H SER 22 -2.867 4.101 2.389 183 HA SER 22 HA SER 22 -5.605 3.622 2.471 184 HB2 SER 22 1HB SER 22 -3.921 2.353 3.776 185 HB3 SER 22 2HB SER 22 -3.682 3.754 4.815 186 HG SER 22 HG SER 22 -6.312 2.916 4.556 187 H ARG 23 H ARG 23 -3.767 5.963 4.467 188 HA ARG 23 HA ARG 23 -6.102 7.057 5.648 189 HB2 ARG 23 1HB ARG 23 -4.644 8.753 6.594 190 HB3 ARG 23 2HB ARG 23 -3.878 7.175 6.704 191 HG2 ARG 23 1HG ARG 23 -2.537 7.735 4.694 192 HG3 ARG 23 2HG ARG 23 -3.243 9.353 4.719 193 HD2 ARG 23 1HD ARG 23 -1.057 9.357 5.785 194 HD3 ARG 23 2HD ARG 23 -2.321 9.719 6.962 195 HE ARG 23 HE ARG 23 -2.134 7.324 7.640 196 HH11 ARG 23 1HH1 ARG 23 0.570 8.941 6.101 197 HH12 ARG 23 2HH1 ARG 23 1.751 7.881 6.810 198 HH21 ARG 23 1HH2 ARG 23 -0.561 5.950 8.573 199 HH22 ARG 23 2HH2 ARG 23 1.119 6.214 8.215 200 H ARG 24 H ARG 24 -4.209 7.994 2.821 201 HA ARG 24 HA ARG 24 -5.342 10.571 2.516 202 HB2 ARG 24 1HB ARG 24 -3.317 10.341 1.409 203 HB3 ARG 24 2HB ARG 24 -3.708 8.743 0.798 204 HG2 ARG 24 1HG ARG 24 -5.322 11.003 -0.258 205 HG3 ARG 24 2HG ARG 24 -3.628 10.927 -0.751 206 HD2 ARG 24 1HD ARG 24 -3.951 8.655 -1.573 207 HD3 ARG 24 2HD ARG 24 -5.623 8.671 -1.020 208 HE ARG 24 HE ARG 24 -6.092 10.343 -2.710 209 HH11 ARG 24 1HH1 ARG 24 -2.974 8.775 -3.002 210 HH12 ARG 24 2HH1 ARG 24 -2.893 8.975 -4.720 211 HH21 ARG 24 1HH2 ARG 24 -5.990 10.585 -4.971 212 HH22 ARG 24 2HH2 ARG 24 -4.610 9.989 -5.838 213 H THR 25 H THR 25 -6.143 7.414 1.141 214 HA THR 25 HA THR 25 -8.260 8.463 -0.503 215 HB THR 25 HB THR 25 -7.723 5.570 0.239 216 HG1 THR 25 1HG THR 25 -5.916 6.003 -0.813 217 HG21 THR 25 1HG2 THR 25 -9.919 5.945 -0.798 218 HG22 THR 25 2HG2 THR 25 -8.845 5.079 -1.896 219 HG23 THR 25 3HG2 THR 25 -9.147 6.801 -2.133 220 H GLY 26 H GLY 26 -7.953 7.439 2.761 221 HA2 GLY 26 1HA GLY 26 -9.495 7.305 4.475 222 HA3 GLY 26 2HA GLY 26 -10.708 7.935 3.364 223 H CYS 27 H CYS 27 -8.810 5.159 2.589 224 HA CYS 27 HA CYS 27 -11.113 3.372 3.026 225 HB2 CYS 27 2HB CYS 27 -9.380 3.573 0.547 226 HB3 CYS 27 1HB CYS 27 -10.493 2.247 0.858 227 H GLU 28 H GLU 28 -10.107 1.027 2.270 228 HA GLU 28 HA GLU 28 -7.674 0.681 3.893 229 HB2 GLU 28 1HB GLU 28 -9.682 -0.399 4.841 230 HB3 GLU 28 2HB GLU 28 -9.916 -1.291 3.344 231 HG2 GLU 28 1HG GLU 28 -8.901 -2.680 5.071 232 HG3 GLU 28 2HG GLU 28 -7.826 -2.473 3.690 233 H VAL 29 H VAL 29 -5.955 -0.300 2.977 234 HA VAL 29 HA VAL 29 -6.253 -1.288 0.221 235 HB VAL 29 HB VAL 29 -5.373 1.016 0.159 236 HG11 VAL 29 1HG1 VAL 29 -3.142 1.527 1.031 237 HG12 VAL 29 2HG1 VAL 29 -3.055 -0.078 1.759 238 HG13 VAL 29 3HG1 VAL 29 -4.258 1.084 2.321 239 HG21 VAL 29 1HG2 VAL 29 -4.726 -0.571 -1.587 240 HG22 VAL 29 2HG2 VAL 29 -3.331 -1.073 -0.633 241 HG23 VAL 29 3HG2 VAL 29 -3.424 0.573 -1.260 242 H GLU 30 H GLU 30 -5.159 -3.052 -0.261 243 HA GLU 30 HA GLU 30 -3.405 -4.249 1.783 244 HB2 GLU 30 1HB GLU 30 -5.502 -5.482 1.435 245 HB3 GLU 30 2HB GLU 30 -5.206 -5.539 -0.294 246 HG2 GLU 30 1HG GLU 30 -3.268 -6.978 0.072 247 HG3 GLU 30 2HG GLU 30 -3.535 -6.897 1.815 248 H VAL 31 H VAL 31 -1.311 -4.248 1.162 249 HA VAL 31 HA VAL 31 -0.757 -3.922 -1.719 250 HB VAL 31 HB VAL 31 0.874 -2.858 0.604 251 HG11 VAL 31 1HG1 VAL 31 1.221 -2.457 -2.375 252 HG12 VAL 31 2HG1 VAL 31 2.267 -3.416 -1.325 253 HG13 VAL 31 3HG1 VAL 31 2.166 -1.668 -1.110 254 HG21 VAL 31 1HG2 VAL 31 -0.903 -1.397 -1.357 255 HG22 VAL 31 2HG2 VAL 31 0.129 -0.642 -0.142 256 HG23 VAL 31 3HG2 VAL 31 -1.230 -1.649 0.359 257 H GLU 32 H GLU 32 0.306 -5.464 -2.643 258 HA GLU 32 HA GLU 32 2.020 -7.267 -1.058 259 HB2 GLU 32 1HB GLU 32 0.614 -7.778 -3.704 260 HB3 GLU 32 2HB GLU 32 1.552 -8.948 -2.788 261 HG2 GLU 32 1HG GLU 32 -0.070 -8.923 -0.998 262 HG3 GLU 32 2HG GLU 32 -0.970 -7.632 -1.786 263 H CYS 33 H CYS 33 4.169 -7.022 -1.484 264 HA CYS 33 HA CYS 33 4.830 -5.350 -3.817 265 HB2 CYS 33 2HB CYS 33 6.065 -5.387 -1.061 266 HB3 CYS 33 1HB CYS 33 6.717 -4.475 -2.422 267 H GLU 34 H GLU 34 6.612 -5.726 -4.993 268 HA GLU 34 HA GLU 34 7.995 -8.295 -4.629 269 HB2 GLU 34 1HB GLU 34 6.911 -7.252 -7.266 270 HB3 GLU 34 2HB GLU 34 7.666 -8.815 -6.978 271 HG2 GLU 34 1HG GLU 34 5.794 -9.534 -5.649 272 HG3 GLU 34 2HG GLU 34 5.064 -7.933 -5.735 273 H THR 35 H THR 35 9.779 -8.353 -6.484 274 HA THR 35 HA THR 35 10.912 -5.722 -7.040 275 HB THR 35 HB THR 35 12.529 -7.898 -5.673 276 HG1 THR 35 1HG THR 35 11.016 -5.845 -4.687 277 HG21 THR 35 1HG2 THR 35 14.311 -6.193 -5.594 278 HG22 THR 35 2HG2 THR 35 13.288 -5.087 -6.510 279 HG23 THR 35 3HG2 THR 35 13.864 -6.578 -7.255 Start of MODEL 13 1 H1 CYS 1 1H CYS 1 -15.223 -2.386 0.839 2 H2 CYS 1 2H CYS 1 -15.982 -0.880 0.865 3 H3 CYS 1 3H CYS 1 -14.814 -1.256 2.024 4 HA CYS 1 HA CYS 1 -14.360 -0.970 -0.881 5 HB2 CYS 1 2HB CYS 1 -14.811 1.140 0.336 6 HB3 CYS 1 1HB CYS 1 -13.462 0.787 1.400 7 H LYS 2 H LYS 2 -13.302 -2.825 -1.084 8 HA LYS 2 HA LYS 2 -10.953 -3.464 0.547 9 HB2 LYS 2 1HB LYS 2 -12.661 -4.952 -1.417 10 HB3 LYS 2 2HB LYS 2 -10.994 -5.469 -1.221 11 HG2 LYS 2 1HG LYS 2 -12.915 -5.206 1.085 12 HG3 LYS 2 2HG LYS 2 -12.689 -6.690 0.158 13 HD2 LYS 2 1HD LYS 2 -10.213 -6.493 0.702 14 HD3 LYS 2 2HD LYS 2 -10.669 -5.245 1.863 15 HE2 LYS 2 1HE LYS 2 -12.099 -6.847 3.035 16 HE3 LYS 2 2HE LYS 2 -11.684 -8.091 1.856 17 HZ1 LYS 2 1HZ LYS 2 -9.788 -6.749 3.703 18 HZ2 LYS 2 2HZ LYS 2 -9.370 -7.921 2.565 19 HZ3 LYS 2 3HZ LYS 2 -10.375 -8.326 3.864 20 H GLN 3 H GLN 3 -9.176 -2.388 -0.057 21 HA GLN 3 HA GLN 3 -8.594 -2.168 -2.940 22 HB2 GLN 3 1HB GLN 3 -7.805 -0.320 -0.691 23 HB3 GLN 3 2HB GLN 3 -7.153 -0.210 -2.318 24 HG2 GLN 3 1HG GLN 3 -10.075 0.022 -1.628 25 HG3 GLN 3 2HG GLN 3 -8.989 1.387 -1.882 26 HE21 GLN 3 1HE2 GLN 3 -9.008 1.174 -5.367 27 HE22 GLN 3 2HE2 GLN 3 -8.258 1.839 -3.960 28 H ARG 4 H ARG 4 -6.880 -3.109 -3.655 29 HA ARG 4 HA ARG 4 -4.609 -3.755 -1.974 30 HB2 ARG 4 1HB ARG 4 -4.617 -6.136 -2.503 31 HB3 ARG 4 2HB ARG 4 -6.104 -5.714 -1.671 32 HG2 ARG 4 1HG ARG 4 -5.864 -6.055 -4.663 33 HG3 ARG 4 2HG ARG 4 -6.389 -7.318 -3.553 34 HD2 ARG 4 1HD ARG 4 -8.323 -6.025 -2.910 35 HD3 ARG 4 2HD ARG 4 -7.764 -4.644 -3.854 36 HE ARG 4 HE ARG 4 -8.104 -7.014 -5.433 37 HH11 ARG 4 1HH1 ARG 4 -9.826 -4.315 -4.007 38 HH12 ARG 4 2HH1 ARG 4 -11.050 -4.286 -5.230 39 HH21 ARG 4 1HH2 ARG 4 -9.734 -7.015 -7.013 40 HH22 ARG 4 2HH2 ARG 4 -11.012 -5.840 -6.936 41 H ARG 5 H ARG 5 -2.833 -3.313 -3.110 42 HA ARG 5 HA ARG 5 -2.974 -3.585 -6.050 43 HB2 ARG 5 1HB ARG 5 -1.950 -1.218 -4.478 44 HB3 ARG 5 2HB ARG 5 -1.479 -1.508 -6.149 45 HG2 ARG 5 1HG ARG 5 -4.294 -1.077 -5.142 46 HG3 ARG 5 2HG ARG 5 -3.315 0.082 -6.046 47 HD2 ARG 5 1HD ARG 5 -3.275 -1.421 -7.963 48 HD3 ARG 5 2HD ARG 5 -4.186 -2.629 -7.059 49 HE ARG 5 HE ARG 5 -5.347 0.018 -7.615 50 HH11 ARG 5 1HH1 ARG 5 -5.447 -3.473 -7.883 51 HH12 ARG 5 2HH1 ARG 5 -7.030 -3.494 -8.599 52 HH21 ARG 5 1HH2 ARG 5 -7.432 -0.025 -8.567 53 HH22 ARG 5 2HH2 ARG 5 -8.159 -1.547 -8.973 54 H ARG 6 H ARG 6 -0.766 -3.458 -7.057 55 HA ARG 6 HA ARG 6 1.156 -4.966 -5.404 56 HB2 ARG 6 1HB ARG 6 1.867 -6.094 -7.501 57 HB3 ARG 6 2HB ARG 6 0.190 -6.426 -7.084 58 HG2 ARG 6 1HG ARG 6 -0.484 -4.647 -8.714 59 HG3 ARG 6 2HG ARG 6 1.205 -4.545 -9.211 60 HD2 ARG 6 1HD ARG 6 -0.554 -6.998 -9.370 61 HD3 ARG 6 2HD ARG 6 -0.071 -5.974 -10.723 62 HE ARG 6 HE ARG 6 2.267 -6.842 -9.492 63 HH11 ARG 6 1HH1 ARG 6 -0.449 -8.288 -11.175 64 HH12 ARG 6 2HH1 ARG 6 0.476 -9.620 -11.793 65 HH21 ARG 6 1HH2 ARG 6 3.488 -8.587 -10.321 66 HH22 ARG 6 2HH2 ARG 6 2.707 -9.778 -11.318 67 H TYR 7 H TYR 7 3.253 -4.348 -5.455 68 HA TYR 7 HA TYR 7 4.141 -2.228 -7.258 69 HB2 TYR 7 2HB TYR 7 3.219 -1.013 -5.338 70 HB3 TYR 7 1HB TYR 7 4.142 -2.015 -4.227 71 HD1 TYR 7 1HD TYR 7 6.341 -1.404 -3.596 72 HD2 TYR 7 2HD TYR 7 4.489 0.547 -6.905 73 HE1 TYR 7 1HE TYR 7 8.172 0.234 -3.653 74 HE2 TYR 7 2HE TYR 7 6.318 2.187 -6.961 75 HH TYR 7 HH TYR 7 7.996 3.116 -5.334 76 H ARG 8 H ARG 8 6.438 -2.191 -7.453 77 HA ARG 8 HA ARG 8 7.782 -4.492 -6.191 78 HB2 ARG 8 1HB ARG 8 9.251 -4.620 -8.128 79 HB3 ARG 8 2HB ARG 8 7.573 -4.755 -8.623 80 HG2 ARG 8 1HG ARG 8 7.605 -2.403 -9.347 81 HG3 ARG 8 2HG ARG 8 9.305 -2.297 -8.876 82 HD2 ARG 8 1HD ARG 8 9.833 -4.106 -10.475 83 HD3 ARG 8 2HD ARG 8 8.142 -4.141 -10.966 84 HE ARG 8 HE ARG 8 9.494 -1.583 -11.245 85 HH11 ARG 8 1HH1 ARG 8 8.432 -4.544 -12.783 86 HH12 ARG 8 2HH1 ARG 8 8.644 -3.937 -14.395 87 HH21 ARG 8 1HH2 ARG 8 9.746 -0.771 -13.362 88 HH22 ARG 8 2HH2 ARG 8 9.382 -1.783 -14.727 89 H GLY 9 H GLY 9 9.597 -4.155 -5.059 90 HA2 GLY 9 1HA GLY 9 11.532 -2.312 -5.107 91 HA3 GLY 9 2HA GLY 9 10.205 -1.370 -4.439 92 H SER 10 H SER 10 10.964 -1.070 -2.398 93 HA SER 10 HA SER 10 11.833 -3.430 -0.874 94 HB2 SER 10 1HB SER 10 12.245 -0.491 -0.250 95 HB3 SER 10 2HB SER 10 12.957 -1.852 0.618 96 HG SER 10 HG SER 10 14.489 -1.851 -0.813 97 H GLU 11 H GLU 11 11.055 -3.842 1.189 98 HA GLU 11 HA GLU 11 8.360 -3.672 1.685 99 HB2 GLU 11 1HB GLU 11 9.487 -5.310 2.880 100 HB3 GLU 11 2HB GLU 11 10.765 -4.222 3.383 101 HG2 GLU 11 1HG GLU 11 8.069 -3.682 4.487 102 HG3 GLU 11 2HG GLU 11 8.866 -5.154 5.035 103 H GLU 12 H GLU 12 10.898 -1.554 2.961 104 HA GLU 12 HA GLU 12 9.416 0.127 4.568 105 HB2 GLU 12 1HB GLU 12 11.853 0.188 4.400 106 HB3 GLU 12 2HB GLU 12 11.755 0.782 2.751 107 HG2 GLU 12 1HG GLU 12 10.407 2.435 4.796 108 HG3 GLU 12 2HG GLU 12 12.162 2.340 4.913 109 H GLU 13 H GLU 13 10.033 0.465 1.080 110 HA GLU 13 HA GLU 13 8.545 2.833 0.712 111 HB2 GLU 13 1HB GLU 13 9.173 0.674 -1.319 112 HB3 GLU 13 2HB GLU 13 8.676 2.325 -1.680 113 HG2 GLU 13 1HG GLU 13 10.729 3.163 -0.626 114 HG3 GLU 13 2HG GLU 13 11.225 1.504 -0.297 115 H CYS 14 H CYS 14 7.694 -0.590 0.468 116 HA CYS 14 HA CYS 14 5.127 -0.377 -0.594 117 HB2 CYS 14 2HB CYS 14 6.179 -2.333 1.464 118 HB3 CYS 14 1HB CYS 14 4.646 -2.508 0.621 119 H ARG 15 H ARG 15 6.113 -0.455 2.826 120 HA ARG 15 HA ARG 15 3.529 -0.136 3.890 121 HB2 ARG 15 1HB ARG 15 6.263 0.404 5.051 122 HB3 ARG 15 2HB ARG 15 4.776 0.521 5.988 123 HG2 ARG 15 1HG ARG 15 4.320 -1.797 5.720 124 HG3 ARG 15 2HG ARG 15 5.599 -1.976 4.519 125 HD2 ARG 15 1HD ARG 15 6.182 -2.838 6.785 126 HD3 ARG 15 2HD ARG 15 7.293 -1.619 6.162 127 HE ARG 15 HE ARG 15 5.140 -0.868 8.030 128 HH11 ARG 15 1HH1 ARG 15 8.545 -1.093 7.237 129 HH12 ARG 15 2HH1 ARG 15 9.049 -0.114 8.582 130 HH21 ARG 15 1HH2 ARG 15 5.803 0.422 9.799 131 HH22 ARG 15 2HH2 ARG 15 7.494 0.741 10.044 132 H LYS 16 H LYS 16 6.070 2.250 3.142 133 HA LYS 16 HA LYS 16 4.708 4.520 4.082 134 HB2 LYS 16 1HB LYS 16 6.875 4.045 2.091 135 HB3 LYS 16 2HB LYS 16 6.033 5.584 1.981 136 HG2 LYS 16 1HG LYS 16 8.040 5.785 3.322 137 HG3 LYS 16 2HG LYS 16 6.604 6.083 4.298 138 HD2 LYS 16 1HD LYS 16 6.753 3.819 5.221 139 HD3 LYS 16 2HD LYS 16 8.164 3.493 4.210 140 HE2 LYS 16 1HE LYS 16 7.954 5.541 6.420 141 HE3 LYS 16 2HE LYS 16 8.891 4.047 6.452 142 HZ1 LYS 16 1HZ LYS 16 10.214 4.928 4.596 143 HZ2 LYS 16 2HZ LYS 16 10.330 5.890 5.980 144 HZ3 LYS 16 3HZ LYS 16 9.361 6.385 4.681 145 H TYR 17 H TYR 17 4.694 3.045 0.856 146 HA TYR 17 HA TYR 17 2.937 4.847 -0.369 147 HB2 TYR 17 2HB TYR 17 4.371 3.135 -1.535 148 HB3 TYR 17 1HB TYR 17 3.230 1.899 -1.018 149 HD1 TYR 17 1HD TYR 17 1.142 1.578 -2.183 150 HD2 TYR 17 2HD TYR 17 3.647 4.889 -3.141 151 HE1 TYR 17 1HE TYR 17 -0.219 2.024 -4.185 152 HE2 TYR 17 2HE TYR 17 2.295 5.343 -5.142 153 HH TYR 17 HH TYR 17 0.771 4.116 -6.673 154 H ALA 18 H ALA 18 2.365 1.906 1.479 155 HA ALA 18 HA ALA 18 -0.428 1.739 1.052 156 HB1 ALA 18 1HB ALA 18 -0.440 0.160 2.900 157 HB2 ALA 18 2HB ALA 18 1.181 0.670 3.375 158 HB3 ALA 18 3HB ALA 18 0.932 -0.157 1.839 159 H GLU 19 H GLU 19 1.555 3.341 3.503 160 HA GLU 19 HA GLU 19 -0.619 4.082 5.177 161 HB2 GLU 19 1HB GLU 19 1.694 3.990 6.003 162 HB3 GLU 19 2HB GLU 19 2.134 5.319 4.938 163 HG2 GLU 19 1HG GLU 19 0.760 6.849 6.154 164 HG3 GLU 19 2HG GLU 19 0.048 5.542 7.098 165 H GLU 20 H GLU 20 1.187 5.774 2.629 166 HA GLU 20 HA GLU 20 -0.242 8.173 2.669 167 HB2 GLU 20 1HB GLU 20 1.409 6.750 0.638 168 HB3 GLU 20 2HB GLU 20 0.349 8.022 0.048 169 HG2 GLU 20 1HG GLU 20 2.526 8.936 0.452 170 HG3 GLU 20 2HG GLU 20 1.396 9.601 1.625 171 H LEU 21 H LEU 21 -0.881 5.133 0.993 172 HA LEU 21 HA LEU 21 -3.192 5.972 -0.394 173 HB2 LEU 21 1HB LEU 21 -1.762 3.502 0.060 174 HB3 LEU 21 2HB LEU 21 -3.486 3.220 0.201 175 HG LEU 21 HG LEU 21 -2.100 4.455 -2.189 176 HD11 LEU 21 1HD1 LEU 21 -3.383 1.742 -1.852 177 HD12 LEU 21 2HD1 LEU 21 -1.646 2.054 -1.909 178 HD13 LEU 21 3HD1 LEU 21 -2.648 2.382 -3.325 179 HD21 LEU 21 1HD2 LEU 21 -4.355 5.355 -1.863 180 HD22 LEU 21 2HD2 LEU 21 -4.998 3.715 -1.750 181 HD23 LEU 21 3HD2 LEU 21 -4.298 4.288 -3.265 182 H SER 22 H SER 22 -2.739 4.558 2.808 183 HA SER 22 HA SER 22 -5.490 4.208 3.375 184 HB2 SER 22 1HB SER 22 -3.680 2.998 4.561 185 HB3 SER 22 2HB SER 22 -3.176 4.510 5.316 186 HG SER 22 HG SER 22 -5.368 2.883 5.848 187 H ARG 23 H ARG 23 -3.188 6.821 4.085 188 HA ARG 23 HA ARG 23 -5.142 8.380 5.505 189 HB2 ARG 23 1HB ARG 23 -3.452 9.989 5.814 190 HB3 ARG 23 2HB ARG 23 -2.604 8.453 5.834 191 HG2 ARG 23 1HG ARG 23 -2.337 9.052 3.230 192 HG3 ARG 23 2HG ARG 23 -2.468 10.682 3.892 193 HD2 ARG 23 1HD ARG 23 -0.405 8.571 4.486 194 HD3 ARG 23 2HD ARG 23 -0.157 10.198 3.858 195 HE ARG 23 HE ARG 23 -1.214 10.654 6.305 196 HH11 ARG 23 1HH1 ARG 23 1.501 8.734 5.164 197 HH12 ARG 23 2HH1 ARG 23 2.349 8.818 6.676 198 HH21 ARG 23 1HH2 ARG 23 -0.090 10.780 8.276 199 HH22 ARG 23 2HH2 ARG 23 1.452 10.002 8.444 200 H ARG 24 H ARG 24 -4.242 7.912 2.233 201 HA ARG 24 HA ARG 24 -5.384 10.259 1.118 202 HB2 ARG 24 1HB ARG 24 -3.842 8.944 -0.190 203 HB3 ARG 24 2HB ARG 24 -4.838 7.511 -0.026 204 HG2 ARG 24 1HG ARG 24 -4.984 8.449 -2.267 205 HG3 ARG 24 2HG ARG 24 -6.544 8.497 -1.453 206 HD2 ARG 24 1HD ARG 24 -4.703 10.875 -1.475 207 HD3 ARG 24 2HD ARG 24 -5.819 10.553 -2.803 208 HE ARG 24 HE ARG 24 -7.434 10.436 -0.661 209 HH11 ARG 24 1HH1 ARG 24 -5.110 12.842 -1.702 210 HH12 ARG 24 2HH1 ARG 24 -5.951 14.158 -0.945 211 HH21 ARG 24 1HH2 ARG 24 -8.535 12.164 0.324 212 HH22 ARG 24 2HH2 ARG 24 -7.903 13.775 0.197 213 H THR 25 H THR 25 -6.651 6.905 1.182 214 HA THR 25 HA THR 25 -9.378 8.039 1.239 215 HB THR 25 HB THR 25 -8.504 5.525 -0.217 216 HG1 THR 25 1HG THR 25 -9.004 8.182 -1.080 217 HG21 THR 25 1HG2 THR 25 -10.774 5.519 -1.134 218 HG22 THR 25 2HG2 THR 25 -11.175 6.952 -0.187 219 HG23 THR 25 3HG2 THR 25 -10.818 5.428 0.628 220 H GLY 26 H GLY 26 -10.566 7.387 2.933 221 HA2 GLY 26 1HA GLY 26 -9.496 5.569 4.872 222 HA3 GLY 26 2HA GLY 26 -11.046 6.391 4.951 223 H CYS 27 H CYS 27 -9.468 3.831 3.067 224 HA CYS 27 HA CYS 27 -11.942 2.224 3.228 225 HB2 CYS 27 2HB CYS 27 -9.722 2.304 1.166 226 HB3 CYS 27 1HB CYS 27 -10.879 0.979 1.250 227 H GLU 28 H GLU 28 -10.804 -0.254 2.565 228 HA GLU 28 HA GLU 28 -8.738 -0.680 4.632 229 HB2 GLU 28 1HB GLU 28 -10.786 -1.978 5.022 230 HB3 GLU 28 2HB GLU 28 -10.713 -2.625 3.388 231 HG2 GLU 28 1HG GLU 28 -8.828 -3.939 3.874 232 HG3 GLU 28 2HG GLU 28 -8.515 -3.083 5.387 233 H VAL 29 H VAL 29 -6.839 -0.470 3.617 234 HA VAL 29 HA VAL 29 -6.603 -1.498 0.863 235 HB VAL 29 HB VAL 29 -6.992 0.900 0.733 236 HG11 VAL 29 1HG1 VAL 29 -4.581 1.220 2.529 237 HG12 VAL 29 2HG1 VAL 29 -6.258 1.531 2.978 238 HG13 VAL 29 3HG1 VAL 29 -5.473 2.529 1.753 239 HG21 VAL 29 1HG2 VAL 29 -4.094 0.233 0.195 240 HG22 VAL 29 2HG2 VAL 29 -4.989 1.583 -0.507 241 HG23 VAL 29 3HG2 VAL 29 -5.446 -0.078 -0.890 242 H GLU 30 H GLU 30 -4.748 -2.456 0.325 243 HA GLU 30 HA GLU 30 -2.308 -1.848 1.772 244 HB2 GLU 30 1HB GLU 30 -3.616 -4.521 1.853 245 HB3 GLU 30 2HB GLU 30 -1.873 -4.494 1.626 246 HG2 GLU 30 1HG GLU 30 -1.652 -3.126 3.669 247 HG3 GLU 30 2HG GLU 30 -3.389 -3.257 3.913 248 H VAL 31 H VAL 31 -0.437 -2.926 0.754 249 HA VAL 31 HA VAL 31 -0.768 -3.415 -2.113 250 HB VAL 31 HB VAL 31 -0.174 -1.042 -1.917 251 HG11 VAL 31 1HG1 VAL 31 0.915 -1.137 0.279 252 HG12 VAL 31 2HG1 VAL 31 1.911 -0.307 -0.914 253 HG13 VAL 31 3HG1 VAL 31 2.295 -1.964 -0.443 254 HG21 VAL 31 1HG2 VAL 31 1.840 -1.024 -3.309 255 HG22 VAL 31 2HG2 VAL 31 0.724 -2.293 -3.814 256 HG23 VAL 31 3HG2 VAL 31 2.162 -2.707 -2.877 257 H GLU 32 H GLU 32 0.835 -4.780 -2.968 258 HA GLU 32 HA GLU 32 2.369 -6.239 -0.912 259 HB2 GLU 32 1HB GLU 32 1.234 -7.229 -3.547 260 HB3 GLU 32 2HB GLU 32 2.138 -8.202 -2.394 261 HG2 GLU 32 1HG GLU 32 -0.531 -6.897 -1.877 262 HG3 GLU 32 2HG GLU 32 -0.278 -8.598 -2.260 263 H CYS 33 H CYS 33 4.390 -7.284 -1.789 264 HA CYS 33 HA CYS 33 5.722 -5.225 -3.424 265 HB2 CYS 33 2HB CYS 33 7.043 -6.896 -1.287 266 HB3 CYS 33 1HB CYS 33 7.645 -5.425 -2.043 267 H GLU 34 H GLU 34 6.734 -5.846 -5.181 268 HA GLU 34 HA GLU 34 7.534 -8.663 -5.502 269 HB2 GLU 34 1HB GLU 34 6.906 -6.621 -7.656 270 HB3 GLU 34 2HB GLU 34 7.398 -8.285 -7.934 271 HG2 GLU 34 1HG GLU 34 5.331 -9.036 -6.780 272 HG3 GLU 34 2HG GLU 34 4.830 -7.349 -6.662 273 H THR 35 H THR 35 9.496 -8.909 -6.867 274 HA THR 35 HA THR 35 11.285 -6.594 -6.898 275 HB THR 35 HB THR 35 12.084 -9.297 -5.761 276 HG1 THR 35 1HG THR 35 10.983 -7.097 -4.615 277 HG21 THR 35 1HG2 THR 35 13.663 -6.725 -6.031 278 HG22 THR 35 2HG2 THR 35 13.925 -8.197 -6.971 279 HG23 THR 35 3HG2 THR 35 14.219 -8.195 -5.231 Start of MODEL 14 1 H1 CYS 1 1H CYS 1 -16.123 0.098 1.567 2 H2 CYS 1 2H CYS 1 -14.735 0.311 2.501 3 H3 CYS 1 3H CYS 1 -15.230 -1.246 2.065 4 HA CYS 1 HA CYS 1 -14.829 -0.767 -0.243 5 HB2 CYS 1 2HB CYS 1 -13.536 1.382 -0.728 6 HB3 CYS 1 1HB CYS 1 -15.249 1.569 -0.376 7 H LYS 2 H LYS 2 -13.370 -2.371 -0.263 8 HA LYS 2 HA LYS 2 -10.711 -1.833 0.906 9 HB2 LYS 2 1HB LYS 2 -12.023 -4.529 0.445 10 HB3 LYS 2 2HB LYS 2 -10.419 -4.265 1.115 11 HG2 LYS 2 1HG LYS 2 -11.466 -3.064 3.016 12 HG3 LYS 2 2HG LYS 2 -13.048 -3.485 2.367 13 HD2 LYS 2 1HD LYS 2 -10.933 -5.500 3.153 14 HD3 LYS 2 2HD LYS 2 -12.243 -4.981 4.210 15 HE2 LYS 2 1HE LYS 2 -12.936 -7.031 3.259 16 HE3 LYS 2 2HE LYS 2 -13.843 -5.778 2.416 17 HZ1 LYS 2 1HZ LYS 2 -12.415 -5.984 0.538 18 HZ2 LYS 2 2HZ LYS 2 -12.913 -7.539 0.961 19 HZ3 LYS 2 3HZ LYS 2 -11.359 -7.015 1.361 20 H GLN 3 H GLN 3 -8.900 -2.292 -0.360 21 HA GLN 3 HA GLN 3 -9.257 -3.398 -3.029 22 HB2 GLN 3 1HB GLN 3 -9.786 -1.040 -3.403 23 HB3 GLN 3 2HB GLN 3 -8.298 -0.553 -2.605 24 HG2 GLN 3 1HG GLN 3 -8.149 -0.399 -5.047 25 HG3 GLN 3 2HG GLN 3 -6.974 -1.529 -4.377 26 HE21 GLN 3 1HE2 GLN 3 -7.974 -3.704 -6.905 27 HE22 GLN 3 2HE2 GLN 3 -6.736 -2.679 -6.264 28 H ARG 4 H ARG 4 -7.308 -4.088 -3.977 29 HA ARG 4 HA ARG 4 -5.003 -4.089 -2.144 30 HB2 ARG 4 1HB ARG 4 -4.374 -6.257 -3.052 31 HB3 ARG 4 2HB ARG 4 -6.015 -6.317 -2.430 32 HG2 ARG 4 1HG ARG 4 -6.874 -6.106 -4.742 33 HG3 ARG 4 2HG ARG 4 -5.211 -6.119 -5.335 34 HD2 ARG 4 1HD ARG 4 -4.901 -8.350 -4.291 35 HD3 ARG 4 2HD ARG 4 -6.601 -8.336 -3.824 36 HE ARG 4 HE ARG 4 -6.326 -7.911 -6.617 37 HH11 ARG 4 1HH1 ARG 4 -6.197 -10.434 -4.180 38 HH12 ARG 4 2HH1 ARG 4 -6.538 -11.706 -5.312 39 HH21 ARG 4 1HH2 ARG 4 -6.784 -9.582 -8.087 40 HH22 ARG 4 2HH2 ARG 4 -6.850 -11.225 -7.527 41 H ARG 5 H ARG 5 -2.936 -3.913 -3.017 42 HA ARG 5 HA ARG 5 -2.642 -3.175 -5.841 43 HB2 ARG 5 1HB ARG 5 -1.722 -1.481 -3.494 44 HB3 ARG 5 2HB ARG 5 -1.182 -1.236 -5.149 45 HG2 ARG 5 1HG ARG 5 -4.083 -1.118 -4.349 46 HG3 ARG 5 2HG ARG 5 -3.021 0.290 -4.320 47 HD2 ARG 5 1HD ARG 5 -3.545 -1.414 -6.760 48 HD3 ARG 5 2HD ARG 5 -4.380 0.096 -6.395 49 HE ARG 5 HE ARG 5 -1.756 0.802 -6.319 50 HH11 ARG 5 1HH1 ARG 5 -3.769 -0.781 -8.714 51 HH12 ARG 5 2HH1 ARG 5 -2.847 -0.189 -10.061 52 HH21 ARG 5 1HH2 ARG 5 -0.564 1.601 -8.106 53 HH22 ARG 5 2HH2 ARG 5 -1.036 1.151 -9.715 54 H ARG 6 H ARG 6 -0.266 -3.100 -6.427 55 HA ARG 6 HA ARG 6 1.499 -4.356 -4.474 56 HB2 ARG 6 1HB ARG 6 2.534 -5.747 -6.335 57 HB3 ARG 6 2HB ARG 6 0.977 -6.285 -5.723 58 HG2 ARG 6 1HG ARG 6 -0.151 -5.579 -7.661 59 HG3 ARG 6 2HG ARG 6 1.213 -4.598 -8.204 60 HD2 ARG 6 1HD ARG 6 0.836 -6.839 -9.382 61 HD3 ARG 6 2HD ARG 6 2.470 -6.480 -8.824 62 HE ARG 6 HE ARG 6 0.895 -7.985 -6.931 63 HH11 ARG 6 1HH1 ARG 6 3.010 -8.200 -9.709 64 HH12 ARG 6 2HH1 ARG 6 3.555 -9.797 -9.327 65 HH21 ARG 6 1HH2 ARG 6 1.622 -10.086 -6.412 66 HH22 ARG 6 2HH2 ARG 6 2.778 -10.874 -7.445 67 H TYR 7 H TYR 7 3.514 -3.591 -4.477 68 HA TYR 7 HA TYR 7 4.182 -1.478 -6.425 69 HB2 TYR 7 2HB TYR 7 3.372 -0.622 -4.189 70 HB3 TYR 7 1HB TYR 7 4.744 -1.424 -3.441 71 HD1 TYR 7 1HD TYR 7 6.978 -0.492 -3.620 72 HD2 TYR 7 2HD TYR 7 3.686 1.359 -5.591 73 HE1 TYR 7 1HE TYR 7 8.325 1.537 -3.955 74 HE2 TYR 7 2HE TYR 7 5.031 3.387 -5.945 75 HH TYR 7 HH TYR 7 6.976 4.499 -4.946 76 H ARG 8 H ARG 8 6.355 -1.388 -7.038 77 HA ARG 8 HA ARG 8 8.008 -3.627 -6.079 78 HB2 ARG 8 1HB ARG 8 9.120 -3.495 -8.368 79 HB3 ARG 8 2HB ARG 8 7.483 -4.125 -8.321 80 HG2 ARG 8 1HG ARG 8 7.448 -2.743 -10.179 81 HG3 ARG 8 2HG ARG 8 6.766 -1.713 -8.923 82 HD2 ARG 8 1HD ARG 8 8.366 -0.483 -10.286 83 HD3 ARG 8 2HD ARG 8 8.938 -0.625 -8.625 84 HE ARG 8 HE ARG 8 9.924 -2.350 -10.816 85 HH11 ARG 8 1HH1 ARG 8 10.488 -0.385 -7.974 86 HH12 ARG 8 2HH1 ARG 8 12.199 -0.668 -7.965 87 HH21 ARG 8 1HH2 ARG 8 12.162 -2.723 -10.803 88 HH22 ARG 8 2HH2 ARG 8 13.148 -2.025 -9.561 89 H GLY 9 H GLY 9 10.042 -3.266 -5.430 90 HA2 GLY 9 1HA GLY 9 11.910 -1.443 -5.918 91 HA3 GLY 9 2HA GLY 9 10.792 -0.490 -4.947 92 H SER 10 H SER 10 10.334 -1.199 -2.776 93 HA SER 10 HA SER 10 11.943 -3.278 -1.589 94 HB2 SER 10 1HB SER 10 12.405 -0.373 -0.828 95 HB3 SER 10 2HB SER 10 13.061 -1.766 0.036 96 HG SER 10 HG SER 10 13.713 -2.123 -2.469 97 H GLU 11 H GLU 11 11.284 -3.774 0.555 98 HA GLU 11 HA GLU 11 8.557 -3.752 0.942 99 HB2 GLU 11 1HB GLU 11 9.025 -4.542 3.243 100 HB3 GLU 11 2HB GLU 11 9.960 -5.391 2.020 101 HG2 GLU 11 1HG GLU 11 11.916 -4.014 2.565 102 HG3 GLU 11 2HG GLU 11 10.972 -3.174 3.796 103 H GLU 12 H GLU 12 10.961 -1.530 2.316 104 HA GLU 12 HA GLU 12 9.247 -0.173 4.075 105 HB2 GLU 12 1HB GLU 12 11.711 0.069 4.105 106 HB3 GLU 12 2HB GLU 12 11.638 0.930 2.573 107 HG2 GLU 12 1HG GLU 12 10.297 2.696 3.652 108 HG3 GLU 12 2HG GLU 12 10.443 1.843 5.189 109 H GLU 13 H GLU 13 10.179 0.579 0.729 110 HA GLU 13 HA GLU 13 8.590 2.841 0.360 111 HB2 GLU 13 1HB GLU 13 9.497 0.739 -1.621 112 HB3 GLU 13 2HB GLU 13 8.737 2.256 -2.084 113 HG2 GLU 13 1HG GLU 13 11.318 2.017 -0.543 114 HG3 GLU 13 2HG GLU 13 11.192 2.305 -2.279 115 H CYS 14 H CYS 14 7.844 -0.581 -0.101 116 HA CYS 14 HA CYS 14 5.271 -0.296 -1.187 117 HB2 CYS 14 2HB CYS 14 6.315 -2.548 0.555 118 HB3 CYS 14 1HB CYS 14 4.948 -2.637 -0.554 119 H ARG 15 H ARG 15 6.379 -0.647 2.153 120 HA ARG 15 HA ARG 15 3.877 -0.645 3.426 121 HB2 ARG 15 1HB ARG 15 6.655 0.112 4.319 122 HB3 ARG 15 2HB ARG 15 5.282 0.235 5.409 123 HG2 ARG 15 1HG ARG 15 4.987 -2.054 5.520 124 HG3 ARG 15 2HG ARG 15 5.808 -2.343 3.985 125 HD2 ARG 15 1HD ARG 15 7.038 -2.997 6.133 126 HD3 ARG 15 2HD ARG 15 7.929 -2.062 4.933 127 HE ARG 15 HE ARG 15 6.685 -0.380 6.878 128 HH11 ARG 15 1HH1 ARG 15 9.407 -2.536 6.441 129 HH12 ARG 15 2HH1 ARG 15 10.449 -1.636 7.498 130 HH21 ARG 15 1HH2 ARG 15 8.027 0.775 8.294 131 HH22 ARG 15 2HH2 ARG 15 9.657 0.236 8.573 132 H LYS 16 H LYS 16 6.127 1.990 2.707 133 HA LYS 16 HA LYS 16 4.673 4.117 3.788 134 HB2 LYS 16 1HB LYS 16 6.551 4.043 1.410 135 HB3 LYS 16 2HB LYS 16 5.961 5.525 2.153 136 HG2 LYS 16 1HG LYS 16 7.144 5.129 4.151 137 HG3 LYS 16 2HG LYS 16 7.448 3.442 3.736 138 HD2 LYS 16 1HD LYS 16 9.470 4.791 3.471 139 HD3 LYS 16 2HD LYS 16 8.936 4.147 1.919 140 HE2 LYS 16 1HE LYS 16 7.906 6.319 1.391 141 HE3 LYS 16 2HE LYS 16 8.466 6.953 2.939 142 HZ1 LYS 16 1HZ LYS 16 9.944 7.582 1.132 143 HZ2 LYS 16 2HZ LYS 16 10.212 5.958 0.753 144 HZ3 LYS 16 3HZ LYS 16 10.741 6.579 2.232 145 H TYR 17 H TYR 17 4.639 2.735 0.530 146 HA TYR 17 HA TYR 17 2.760 4.411 -0.663 147 HB2 TYR 17 2HB TYR 17 4.137 2.794 -1.900 148 HB3 TYR 17 1HB TYR 17 3.284 1.460 -1.137 149 HD1 TYR 17 1HD TYR 17 1.539 0.461 -2.294 150 HD2 TYR 17 2HD TYR 17 2.605 4.464 -3.275 151 HE1 TYR 17 1HE TYR 17 -0.053 0.415 -4.163 152 HE2 TYR 17 2HE TYR 17 1.011 4.430 -5.151 153 HH TYR 17 HH TYR 17 -0.142 2.884 -6.569 154 H ALA 18 H ALA 18 2.321 1.465 1.255 155 HA ALA 18 HA ALA 18 -0.491 1.293 1.026 156 HB1 ALA 18 1HB ALA 18 -0.371 -0.199 2.963 157 HB2 ALA 18 2HB ALA 18 1.289 0.316 3.265 158 HB3 ALA 18 3HB ALA 18 0.894 -0.574 1.794 159 H GLU 19 H GLU 19 1.578 2.861 3.449 160 HA GLU 19 HA GLU 19 -0.464 3.690 5.201 161 HB2 GLU 19 1HB GLU 19 2.246 4.948 4.680 162 HB3 GLU 19 2HB GLU 19 1.207 5.321 6.050 163 HG2 GLU 19 1HG GLU 19 2.466 2.648 5.451 164 HG3 GLU 19 2HG GLU 19 2.994 3.795 6.680 165 H GLU 20 H GLU 20 1.247 5.465 2.636 166 HA GLU 20 HA GLU 20 -0.200 7.826 2.703 167 HB2 GLU 20 1HB GLU 20 1.478 6.425 0.706 168 HB3 GLU 20 2HB GLU 20 0.335 7.575 0.029 169 HG2 GLU 20 1HG GLU 20 2.580 8.525 0.456 170 HG3 GLU 20 2HG GLU 20 1.281 9.372 1.290 171 H LEU 21 H LEU 21 -0.864 4.843 0.901 172 HA LEU 21 HA LEU 21 -3.089 5.700 -0.539 173 HB2 LEU 21 1HB LEU 21 -1.772 3.232 -0.005 174 HB3 LEU 21 2HB LEU 21 -3.483 2.974 0.267 175 HG LEU 21 HG LEU 21 -2.934 2.377 -2.001 176 HD11 LEU 21 1HD1 LEU 21 -4.432 4.997 -1.950 177 HD12 LEU 21 2HD1 LEU 21 -5.116 3.405 -1.617 178 HD13 LEU 21 3HD1 LEU 21 -4.501 3.780 -3.225 179 HD21 LEU 21 1HD2 LEU 21 -0.917 3.724 -2.273 180 HD22 LEU 21 2HD2 LEU 21 -1.891 5.197 -2.318 181 HD23 LEU 21 3HD2 LEU 21 -2.044 3.998 -3.603 182 H SER 22 H SER 22 -3.002 4.093 2.647 183 HA SER 22 HA SER 22 -5.784 3.979 2.958 184 HB2 SER 22 1HB SER 22 -5.134 3.498 5.345 185 HB3 SER 22 2HB SER 22 -4.392 2.458 4.144 186 HG SER 22 HG SER 22 -2.528 3.133 4.801 187 H ARG 23 H ARG 23 -3.363 6.336 4.113 188 HA ARG 23 HA ARG 23 -5.321 7.861 5.565 189 HB2 ARG 23 1HB ARG 23 -3.540 9.515 5.886 190 HB3 ARG 23 2HB ARG 23 -2.981 7.893 6.257 191 HG2 ARG 23 1HG ARG 23 -1.915 7.798 4.017 192 HG3 ARG 23 2HG ARG 23 -2.382 9.480 3.767 193 HD2 ARG 23 1HD ARG 23 -0.026 9.159 4.551 194 HD3 ARG 23 2HD ARG 23 -1.001 10.211 5.578 195 HE ARG 23 HE ARG 23 -1.329 8.020 6.916 196 HH11 ARG 23 1HH1 ARG 23 1.631 8.904 5.253 197 HH12 ARG 23 2HH1 ARG 23 2.654 8.137 6.427 198 HH21 ARG 23 1HH2 ARG 23 0.009 6.986 8.418 199 HH22 ARG 23 2HH2 ARG 23 1.735 7.029 8.214 200 H ARG 24 H ARG 24 -4.228 7.771 2.306 201 HA ARG 24 HA ARG 24 -4.994 10.427 1.560 202 HB2 ARG 24 1HB ARG 24 -3.350 8.848 0.358 203 HB3 ARG 24 2HB ARG 24 -4.770 8.060 -0.309 204 HG2 ARG 24 1HG ARG 24 -3.858 9.636 -1.893 205 HG3 ARG 24 2HG ARG 24 -5.447 10.176 -1.351 206 HD2 ARG 24 1HD ARG 24 -4.567 11.920 -0.087 207 HD3 ARG 24 2HD ARG 24 -2.972 11.175 0.020 208 HE ARG 24 HE ARG 24 -3.027 11.643 -2.558 209 HH11 ARG 24 1HH1 ARG 24 -4.296 13.742 -0.038 210 HH12 ARG 24 2HH1 ARG 24 -3.870 15.202 -0.873 211 HH21 ARG 24 1HH2 ARG 24 -2.420 13.574 -3.622 212 HH22 ARG 24 2HH2 ARG 24 -2.762 15.110 -2.882 213 H THR 25 H THR 25 -6.436 7.214 1.094 214 HA THR 25 HA THR 25 -9.061 8.503 0.686 215 HB THR 25 HB THR 25 -9.649 6.370 -0.579 216 HG1 THR 25 1HG THR 25 -7.388 5.518 0.282 217 HG21 THR 25 1HG2 THR 25 -7.501 8.158 -1.740 218 HG22 THR 25 2HG2 THR 25 -9.236 8.471 -1.754 219 HG23 THR 25 3HG2 THR 25 -8.582 7.115 -2.670 220 H GLY 26 H GLY 26 -10.512 8.084 2.227 221 HA2 GLY 26 1HA GLY 26 -9.919 6.463 4.475 222 HA3 GLY 26 2HA GLY 26 -11.466 7.219 4.125 223 H CYS 27 H CYS 27 -9.454 4.423 3.462 224 HA CYS 27 HA CYS 27 -11.777 2.689 3.389 225 HB2 CYS 27 2HB CYS 27 -9.967 3.094 0.993 226 HB3 CYS 27 1HB CYS 27 -10.934 1.639 1.207 227 H GLU 28 H GLU 28 -10.654 0.377 2.573 228 HA GLU 28 HA GLU 28 -8.294 0.012 4.310 229 HB2 GLU 28 1HB GLU 28 -10.243 -1.234 5.103 230 HB3 GLU 28 2HB GLU 28 -10.472 -1.947 3.513 231 HG2 GLU 28 1HG GLU 28 -9.475 -3.609 4.862 232 HG3 GLU 28 2HG GLU 28 -8.216 -3.025 3.777 233 H VAL 29 H VAL 29 -6.604 0.161 2.984 234 HA VAL 29 HA VAL 29 -6.689 -1.296 0.418 235 HB VAL 29 HB VAL 29 -4.953 1.090 1.128 236 HG11 VAL 29 1HG1 VAL 29 -3.869 -0.386 -0.472 237 HG12 VAL 29 2HG1 VAL 29 -4.390 1.095 -1.274 238 HG13 VAL 29 3HG1 VAL 29 -5.314 -0.393 -1.485 239 HG21 VAL 29 1HG2 VAL 29 -6.361 2.352 -0.447 240 HG22 VAL 29 2HG2 VAL 29 -7.299 1.744 0.918 241 HG23 VAL 29 3HG2 VAL 29 -7.399 0.939 -0.649 242 H GLU 30 H GLU 30 -5.386 -2.960 0.236 243 HA GLU 30 HA GLU 30 -3.129 -3.222 2.118 244 HB2 GLU 30 1HB GLU 30 -4.833 -4.939 2.465 245 HB3 GLU 30 2HB GLU 30 -4.784 -5.371 0.760 246 HG2 GLU 30 1HG GLU 30 -2.522 -6.193 0.989 247 HG3 GLU 30 2HG GLU 30 -2.464 -5.654 2.667 248 H VAL 31 H VAL 31 -1.135 -3.453 1.276 249 HA VAL 31 HA VAL 31 -0.924 -3.532 -1.654 250 HB VAL 31 HB VAL 31 0.868 -2.124 0.343 251 HG11 VAL 31 1HG1 VAL 31 2.124 -1.297 -1.577 252 HG12 VAL 31 2HG1 VAL 31 1.105 -2.236 -2.669 253 HG13 VAL 31 3HG1 VAL 31 2.166 -3.058 -1.525 254 HG21 VAL 31 1HG2 VAL 31 0.088 -0.068 -0.732 255 HG22 VAL 31 2HG2 VAL 31 -1.267 -0.980 -0.065 256 HG23 VAL 31 3HG2 VAL 31 -0.953 -1.010 -1.801 257 H GLU 32 H GLU 32 0.672 -4.725 -2.557 258 HA GLU 32 HA GLU 32 1.991 -6.747 -0.867 259 HB2 GLU 32 1HB GLU 32 0.332 -7.721 -2.353 260 HB3 GLU 32 2HB GLU 32 0.970 -6.825 -3.721 261 HG2 GLU 32 1HG GLU 32 3.052 -8.142 -3.576 262 HG3 GLU 32 2HG GLU 32 2.341 -9.078 -2.258 263 H CYS 33 H CYS 33 4.225 -7.200 -1.428 264 HA CYS 33 HA CYS 33 5.432 -4.805 -2.656 265 HB2 CYS 33 2HB CYS 33 5.651 -5.052 -0.155 266 HB3 CYS 33 1HB CYS 33 6.644 -6.477 -0.451 267 H GLU 34 H GLU 34 7.054 -4.978 -4.045 268 HA GLU 34 HA GLU 34 8.326 -7.581 -4.536 269 HB2 GLU 34 1HB GLU 34 7.328 -5.681 -6.683 270 HB3 GLU 34 2HB GLU 34 8.243 -7.155 -6.970 271 HG2 GLU 34 1HG GLU 34 6.387 -8.468 -6.026 272 HG3 GLU 34 2HG GLU 34 5.473 -6.978 -5.791 273 H THR 35 H THR 35 10.297 -7.096 -6.105 274 HA THR 35 HA THR 35 11.569 -4.592 -5.200 275 HB THR 35 HB THR 35 13.753 -5.879 -5.221 276 HG1 THR 35 1HG THR 35 12.601 -7.715 -6.404 277 HG21 THR 35 1HG2 THR 35 11.649 -6.765 -3.232 278 HG22 THR 35 2HG2 THR 35 12.627 -5.302 -3.123 279 HG23 THR 35 3HG2 THR 35 13.396 -6.885 -3.003 Start of MODEL 15 1 H1 CYS 1 1H CYS 1 -15.728 -0.255 -0.426 2 H2 CYS 1 2H CYS 1 -16.237 1.354 -0.351 3 H3 CYS 1 3H CYS 1 -15.372 0.682 0.935 4 HA CYS 1 HA CYS 1 -14.344 1.121 -1.798 5 HB2 CYS 1 2HB CYS 1 -14.691 3.192 -0.473 6 HB3 CYS 1 1HB CYS 1 -13.659 2.532 0.788 7 H LYS 2 H LYS 2 -13.174 -0.622 -2.197 8 HA LYS 2 HA LYS 2 -11.142 -1.489 -0.241 9 HB2 LYS 2 1HB LYS 2 -13.041 -3.221 -1.832 10 HB3 LYS 2 2HB LYS 2 -11.516 -3.848 -1.221 11 HG2 LYS 2 1HG LYS 2 -12.232 -3.284 1.073 12 HG3 LYS 2 2HG LYS 2 -13.783 -2.735 0.430 13 HD2 LYS 2 1HD LYS 2 -14.301 -4.949 -0.365 14 HD3 LYS 2 2HD LYS 2 -12.687 -5.526 0.050 15 HE2 LYS 2 1HE LYS 2 -14.315 -6.257 1.707 16 HE3 LYS 2 2HE LYS 2 -13.155 -5.141 2.423 17 HZ1 LYS 2 1HZ LYS 2 -15.445 -4.709 3.113 18 HZ2 LYS 2 2HZ LYS 2 -15.878 -4.396 1.507 19 HZ3 LYS 2 3HZ LYS 2 -14.776 -3.390 2.294 20 H GLN 3 H GLN 3 -9.149 -1.856 -1.086 21 HA GLN 3 HA GLN 3 -8.799 -2.161 -3.970 22 HB2 GLN 3 1HB GLN 3 -7.527 0.054 -2.354 23 HB3 GLN 3 2HB GLN 3 -6.971 -0.425 -3.948 24 HG2 GLN 3 1HG GLN 3 -9.082 0.232 -4.929 25 HG3 GLN 3 2HG GLN 3 -9.738 0.605 -3.335 26 HE21 GLN 3 1HE2 GLN 3 -7.278 3.226 -5.245 27 HE22 GLN 3 2HE2 GLN 3 -7.491 1.609 -5.817 28 H ARG 4 H ARG 4 -7.195 -3.541 -4.438 29 HA ARG 4 HA ARG 4 -5.157 -4.087 -2.373 30 HB2 ARG 4 1HB ARG 4 -6.271 -6.048 -4.399 31 HB3 ARG 4 2HB ARG 4 -4.975 -6.384 -3.261 32 HG2 ARG 4 1HG ARG 4 -6.710 -5.814 -1.436 33 HG3 ARG 4 2HG ARG 4 -7.904 -5.997 -2.723 34 HD2 ARG 4 1HD ARG 4 -6.004 -8.066 -1.627 35 HD3 ARG 4 2HD ARG 4 -7.767 -8.106 -1.649 36 HE ARG 4 HE ARG 4 -7.574 -8.315 -4.118 37 HH11 ARG 4 1HH1 ARG 4 -4.917 -9.309 -2.059 38 HH12 ARG 4 2HH1 ARG 4 -4.216 -10.358 -3.255 39 HH21 ARG 4 1HH2 ARG 4 -6.666 -9.717 -5.683 40 HH22 ARG 4 2HH2 ARG 4 -5.211 -10.593 -5.315 41 H ARG 5 H ARG 5 -3.050 -4.026 -3.042 42 HA ARG 5 HA ARG 5 -2.527 -3.549 -5.892 43 HB2 ARG 5 1HB ARG 5 -1.704 -1.741 -3.607 44 HB3 ARG 5 2HB ARG 5 -0.991 -1.655 -5.214 45 HG2 ARG 5 1HG ARG 5 -3.929 -1.295 -4.628 46 HG3 ARG 5 2HG ARG 5 -2.772 0.024 -4.826 47 HD2 ARG 5 1HD ARG 5 -2.447 -0.443 -7.096 48 HD3 ARG 5 2HD ARG 5 -3.103 -2.072 -6.952 49 HE ARG 5 HE ARG 5 -5.303 -1.081 -6.725 50 HH11 ARG 5 1HH1 ARG 5 -2.779 1.041 -7.908 51 HH12 ARG 5 2HH1 ARG 5 -3.884 2.067 -8.769 52 HH21 ARG 5 1HH2 ARG 5 -6.744 0.230 -7.868 53 HH22 ARG 5 2HH2 ARG 5 -6.150 1.592 -8.765 54 H ARG 6 H ARG 6 -0.551 -4.156 -6.619 55 HA ARG 6 HA ARG 6 1.316 -5.380 -4.696 56 HB2 ARG 6 1HB ARG 6 0.798 -5.979 -7.618 57 HB3 ARG 6 2HB ARG 6 2.221 -6.565 -6.766 58 HG2 ARG 6 1HG ARG 6 0.801 -7.816 -5.225 59 HG3 ARG 6 2HG ARG 6 -0.639 -7.203 -6.044 60 HD2 ARG 6 1HD ARG 6 0.055 -9.518 -6.730 61 HD3 ARG 6 2HD ARG 6 -0.087 -8.363 -8.055 62 HE ARG 6 HE ARG 6 2.578 -8.515 -7.011 63 HH11 ARG 6 1HH1 ARG 6 0.328 -10.152 -9.149 64 HH12 ARG 6 2HH1 ARG 6 1.575 -10.771 -10.185 65 HH21 ARG 6 1HH2 ARG 6 4.201 -9.303 -8.358 66 HH22 ARG 6 2HH2 ARG 6 3.791 -10.284 -9.737 67 H TYR 7 H TYR 7 3.101 -4.222 -4.372 68 HA TYR 7 HA TYR 7 3.785 -2.142 -6.359 69 HB2 TYR 7 2HB TYR 7 2.935 -1.331 -4.133 70 HB3 TYR 7 1HB TYR 7 4.320 -2.105 -3.370 71 HD1 TYR 7 1HD TYR 7 6.602 -1.205 -3.740 72 HD2 TYR 7 2HD TYR 7 3.164 0.751 -5.324 73 HE1 TYR 7 1HE TYR 7 7.931 0.828 -4.103 74 HE2 TYR 7 2HE TYR 7 4.488 2.792 -5.687 75 HH TYR 7 HH TYR 7 7.864 2.845 -5.553 76 H ARG 8 H ARG 8 5.763 -2.212 -7.222 77 HA ARG 8 HA ARG 8 7.694 -4.126 -6.078 78 HB2 ARG 8 1HB ARG 8 7.318 -3.272 -8.961 79 HB3 ARG 8 2HB ARG 8 8.610 -4.315 -8.389 80 HG2 ARG 8 1HG ARG 8 7.296 -6.061 -8.773 81 HG3 ARG 8 2HG ARG 8 6.241 -5.505 -7.474 82 HD2 ARG 8 1HD ARG 8 6.020 -4.622 -10.354 83 HD3 ARG 8 2HD ARG 8 5.074 -5.924 -9.641 84 HE ARG 8 HE ARG 8 3.988 -4.300 -8.241 85 HH11 ARG 8 1HH1 ARG 8 5.991 -2.937 -10.776 86 HH12 ARG 8 2HH1 ARG 8 5.095 -1.452 -10.849 87 HH21 ARG 8 1HH2 ARG 8 2.817 -2.341 -8.346 88 HH22 ARG 8 2HH2 ARG 8 3.294 -1.114 -9.480 89 H GLY 9 H GLY 9 9.605 -3.385 -5.471 90 HA2 GLY 9 1HA GLY 9 11.216 -1.462 -6.544 91 HA3 GLY 9 2HA GLY 9 10.132 -0.561 -5.489 92 H SER 10 H SER 10 10.049 -1.163 -3.236 93 HA SER 10 HA SER 10 12.035 -2.927 -2.140 94 HB2 SER 10 1HB SER 10 12.275 0.057 -1.614 95 HB3 SER 10 2HB SER 10 13.242 -1.209 -0.853 96 HG SER 10 HG SER 10 13.660 -1.711 -3.283 97 H GLU 11 H GLU 11 11.929 -2.913 0.279 98 HA GLU 11 HA GLU 11 9.353 -3.348 1.187 99 HB2 GLU 11 1HB GLU 11 11.919 -2.781 2.669 100 HB3 GLU 11 2HB GLU 11 10.425 -3.173 3.510 101 HG2 GLU 11 1HG GLU 11 11.667 -4.954 1.421 102 HG3 GLU 11 2HG GLU 11 12.004 -5.087 3.147 103 H GLU 12 H GLU 12 11.428 -0.568 2.060 104 HA GLU 12 HA GLU 12 9.504 0.744 3.609 105 HB2 GLU 12 1HB GLU 12 11.909 1.262 3.690 106 HB3 GLU 12 2HB GLU 12 11.814 1.961 2.078 107 HG2 GLU 12 1HG GLU 12 10.332 3.705 2.887 108 HG3 GLU 12 2HG GLU 12 10.327 2.977 4.494 109 H GLU 13 H GLU 13 10.253 1.019 0.170 110 HA GLU 13 HA GLU 13 8.606 3.186 -0.478 111 HB2 GLU 13 1HB GLU 13 9.133 0.769 -2.230 112 HB3 GLU 13 2HB GLU 13 8.695 2.385 -2.764 113 HG2 GLU 13 1HG GLU 13 11.278 1.594 -1.429 114 HG3 GLU 13 2HG GLU 13 11.048 1.931 -3.141 115 H CYS 14 H CYS 14 7.936 -0.289 -0.504 116 HA CYS 14 HA CYS 14 5.256 -0.183 -1.327 117 HB2 CYS 14 2HB CYS 14 6.398 -2.267 -1.435 118 HB3 CYS 14 1HB CYS 14 6.830 -2.211 0.268 119 H ARG 15 H ARG 15 6.664 -0.342 1.924 120 HA ARG 15 HA ARG 15 4.235 -0.469 3.336 121 HB2 ARG 15 1HB ARG 15 6.895 0.641 4.268 122 HB3 ARG 15 2HB ARG 15 5.564 0.154 5.311 123 HG2 ARG 15 1HG ARG 15 5.801 -2.153 4.597 124 HG3 ARG 15 2HG ARG 15 7.072 -1.695 3.462 125 HD2 ARG 15 1HD ARG 15 8.393 -0.856 5.430 126 HD3 ARG 15 2HD ARG 15 7.165 -1.574 6.475 127 HE ARG 15 HE ARG 15 8.088 -3.523 4.668 128 HH11 ARG 15 1HH1 ARG 15 9.139 -1.737 7.492 129 HH12 ARG 15 2HH1 ARG 15 10.301 -2.934 7.975 130 HH21 ARG 15 1HH2 ARG 15 9.633 -5.087 5.283 131 HH22 ARG 15 2HH2 ARG 15 10.576 -4.844 6.724 132 H LYS 16 H LYS 16 6.327 2.310 2.559 133 HA LYS 16 HA LYS 16 4.780 4.274 3.752 134 HB2 LYS 16 1HB LYS 16 7.173 4.322 2.625 135 HB3 LYS 16 2HB LYS 16 6.257 4.855 1.216 136 HG2 LYS 16 1HG LYS 16 5.235 6.616 2.670 137 HG3 LYS 16 2HG LYS 16 6.388 6.142 3.915 138 HD2 LYS 16 1HD LYS 16 8.247 6.713 2.420 139 HD3 LYS 16 2HD LYS 16 7.093 7.173 1.161 140 HE2 LYS 16 1HE LYS 16 6.178 8.899 2.698 141 HE3 LYS 16 2HE LYS 16 7.439 8.484 3.862 142 HZ1 LYS 16 1HZ LYS 16 9.081 9.071 2.124 143 HZ2 LYS 16 2HZ LYS 16 8.138 10.373 2.638 144 HZ3 LYS 16 3HZ LYS 16 7.812 9.629 1.151 145 H TYR 17 H TYR 17 4.632 2.861 0.501 146 HA TYR 17 HA TYR 17 2.691 4.548 -0.606 147 HB2 TYR 17 2HB TYR 17 3.912 2.947 -1.978 148 HB3 TYR 17 1HB TYR 17 3.204 1.596 -1.101 149 HD1 TYR 17 1HD TYR 17 1.044 0.743 -1.684 150 HD2 TYR 17 2HD TYR 17 2.463 4.334 -3.497 151 HE1 TYR 17 1HE TYR 17 -0.805 0.654 -3.300 152 HE2 TYR 17 2HE TYR 17 0.612 4.245 -5.118 153 HH TYR 17 HH TYR 17 -0.898 2.501 -6.100 154 H ALA 18 H ALA 18 2.318 1.496 1.170 155 HA ALA 18 HA ALA 18 -0.467 1.344 1.204 156 HB1 ALA 18 1HB ALA 18 1.470 0.444 3.349 157 HB2 ALA 18 2HB ALA 18 1.004 -0.484 1.924 158 HB3 ALA 18 3HB ALA 18 -0.197 -0.105 3.160 159 H GLU 19 H GLU 19 1.764 2.907 3.466 160 HA GLU 19 HA GLU 19 -0.108 3.838 5.324 161 HB2 GLU 19 1HB GLU 19 2.277 3.829 5.800 162 HB3 GLU 19 2HB GLU 19 2.577 4.984 4.511 163 HG2 GLU 19 1HG GLU 19 2.664 6.017 6.727 164 HG3 GLU 19 2HG GLU 19 1.388 6.706 5.723 165 H GLU 20 H GLU 20 1.336 5.516 2.537 166 HA GLU 20 HA GLU 20 0.054 7.951 2.710 167 HB2 GLU 20 1HB GLU 20 0.861 6.382 0.249 168 HB3 GLU 20 2HB GLU 20 0.304 8.049 0.193 169 HG2 GLU 20 1HG GLU 20 2.713 7.123 1.750 170 HG3 GLU 20 2HG GLU 20 2.778 7.768 0.114 171 H LEU 21 H LEU 21 -1.018 5.082 0.898 172 HA LEU 21 HA LEU 21 -3.409 6.219 -0.063 173 HB2 LEU 21 1HB LEU 21 -2.307 4.226 -1.020 174 HB3 LEU 21 2HB LEU 21 -2.739 3.309 0.410 175 HG LEU 21 HG LEU 21 -5.103 3.473 -0.133 176 HD11 LEU 21 1HD1 LEU 21 -5.850 4.514 -2.238 177 HD12 LEU 21 2HD1 LEU 21 -4.215 5.129 -2.498 178 HD13 LEU 21 3HD1 LEU 21 -5.159 5.685 -1.114 179 HD21 LEU 21 1HD2 LEU 21 -5.139 2.159 -2.191 180 HD22 LEU 21 2HD2 LEU 21 -3.828 1.638 -1.133 181 HD23 LEU 21 3HD2 LEU 21 -3.478 2.642 -2.543 182 H SER 22 H SER 22 -2.663 4.396 2.860 183 HA SER 22 HA SER 22 -5.352 3.970 3.664 184 HB2 SER 22 1HB SER 22 -3.409 2.607 4.446 185 HB3 SER 22 2HB SER 22 -2.856 3.990 5.389 186 HG SER 22 HG SER 22 -5.141 2.378 5.755 187 H ARG 23 H ARG 23 -2.927 6.424 4.549 188 HA ARG 23 HA ARG 23 -4.680 7.706 6.425 189 HB2 ARG 23 1HB ARG 23 -2.911 9.419 6.617 190 HB3 ARG 23 2HB ARG 23 -2.290 7.791 6.820 191 HG2 ARG 23 1HG ARG 23 -0.666 8.788 5.511 192 HG3 ARG 23 2HG ARG 23 -1.657 7.957 4.317 193 HD2 ARG 23 1HD ARG 23 -1.028 10.226 3.610 194 HD3 ARG 23 2HD ARG 23 -2.772 10.019 3.741 195 HE ARG 23 HE ARG 23 -1.480 11.132 6.083 196 HH11 ARG 23 1HH1 ARG 23 -3.078 11.803 3.045 197 HH12 ARG 23 2HH1 ARG 23 -3.565 13.404 3.496 198 HH21 ARG 23 1HH2 ARG 23 -2.085 13.245 6.686 199 HH22 ARG 23 2HH2 ARG 23 -2.992 14.225 5.578 200 H ARG 24 H ARG 24 -4.026 8.010 3.039 201 HA ARG 24 HA ARG 24 -5.063 10.678 2.802 202 HB2 ARG 24 1HB ARG 24 -3.377 9.778 1.233 203 HB3 ARG 24 2HB ARG 24 -4.555 8.612 0.647 204 HG2 ARG 24 1HG ARG 24 -5.930 10.371 -0.256 205 HG3 ARG 24 2HG ARG 24 -4.902 11.603 0.475 206 HD2 ARG 24 1HD ARG 24 -4.363 11.435 -1.862 207 HD3 ARG 24 2HD ARG 24 -3.016 10.794 -0.923 208 HE ARG 24 HE ARG 24 -5.025 9.021 -2.152 209 HH11 ARG 24 1HH1 ARG 24 -1.687 9.937 -1.598 210 HH12 ARG 24 2HH1 ARG 24 -1.044 8.659 -2.581 211 HH21 ARG 24 1HH2 ARG 24 -4.179 7.322 -3.416 212 HH22 ARG 24 2HH2 ARG 24 -2.460 7.171 -3.615 213 H THR 25 H THR 25 -6.233 7.431 2.038 214 HA THR 25 HA THR 25 -8.984 8.489 1.951 215 HB THR 25 HB THR 25 -9.410 6.582 0.278 216 HG1 THR 25 1HG THR 25 -7.122 5.783 0.756 217 HG21 THR 25 1HG2 THR 25 -8.689 7.932 -1.643 218 HG22 THR 25 2HG2 THR 25 -7.660 8.895 -0.584 219 HG23 THR 25 3HG2 THR 25 -9.411 8.943 -0.390 220 H GLY 26 H GLY 26 -10.024 7.737 3.667 221 HA2 GLY 26 1HA GLY 26 -9.195 5.481 5.192 222 HA3 GLY 26 2HA GLY 26 -10.680 6.396 5.410 223 H CYS 27 H CYS 27 -9.182 3.958 3.338 224 HA CYS 27 HA CYS 27 -11.834 2.725 2.946 225 HB2 CYS 27 2HB CYS 27 -9.472 2.881 1.053 226 HB3 CYS 27 1HB CYS 27 -10.881 1.858 0.777 227 H GLU 28 H GLU 28 -10.970 0.358 1.795 228 HA GLU 28 HA GLU 28 -9.429 -0.914 3.971 229 HB2 GLU 28 1HB GLU 28 -11.811 -1.642 3.755 230 HB3 GLU 28 2HB GLU 28 -11.479 -2.156 2.106 231 HG2 GLU 28 1HG GLU 28 -11.429 -4.094 3.451 232 HG3 GLU 28 2HG GLU 28 -9.754 -3.720 3.043 233 H VAL 29 H VAL 29 -7.385 -1.107 3.258 234 HA VAL 29 HA VAL 29 -6.948 -1.764 0.413 235 HB VAL 29 HB VAL 29 -6.314 0.543 0.864 236 HG11 VAL 29 1HG1 VAL 29 -4.467 -0.581 2.978 237 HG12 VAL 29 2HG1 VAL 29 -5.907 0.399 3.258 238 HG13 VAL 29 3HG1 VAL 29 -4.511 1.101 2.442 239 HG21 VAL 29 1HG2 VAL 29 -3.894 -1.237 0.527 240 HG22 VAL 29 2HG2 VAL 29 -3.979 0.475 0.111 241 HG23 VAL 29 3HG2 VAL 29 -4.976 -0.694 -0.756 242 H GLU 30 H GLU 30 -5.422 -3.232 -0.121 243 HA GLU 30 HA GLU 30 -3.683 -4.327 1.986 244 HB2 GLU 30 1HB GLU 30 -5.461 -5.965 1.620 245 HB3 GLU 30 2HB GLU 30 -5.184 -5.919 -0.116 246 HG2 GLU 30 1HG GLU 30 -2.878 -6.784 0.297 247 HG3 GLU 30 2HG GLU 30 -3.308 -6.967 1.997 248 H VAL 31 H VAL 31 -1.614 -4.021 1.396 249 HA VAL 31 HA VAL 31 -0.990 -3.813 -1.476 250 HB VAL 31 HB VAL 31 0.430 -2.460 0.840 251 HG11 VAL 31 1HG1 VAL 31 0.908 -2.254 -2.139 252 HG12 VAL 31 2HG1 VAL 31 1.984 -2.995 -0.954 253 HG13 VAL 31 3HG1 VAL 31 1.685 -1.257 -0.909 254 HG21 VAL 31 1HG2 VAL 31 -0.457 -0.372 -0.082 255 HG22 VAL 31 2HG2 VAL 31 -1.754 -1.464 0.402 256 HG23 VAL 31 3HG2 VAL 31 -1.345 -1.283 -1.305 257 H GLU 32 H GLU 32 0.760 -4.897 -2.240 258 HA GLU 32 HA GLU 32 2.126 -6.756 -0.402 259 HB2 GLU 32 1HB GLU 32 0.737 -7.887 -2.107 260 HB3 GLU 32 2HB GLU 32 1.610 -7.045 -3.382 261 HG2 GLU 32 1HG GLU 32 3.659 -8.201 -2.783 262 HG3 GLU 32 2HG GLU 32 2.845 -8.985 -1.431 263 H CYS 33 H CYS 33 4.378 -7.053 -0.702 264 HA CYS 33 HA CYS 33 5.664 -4.688 -1.907 265 HB2 CYS 33 2HB CYS 33 6.619 -6.330 0.456 266 HB3 CYS 33 1HB CYS 33 7.323 -4.826 -0.134 267 H GLU 34 H GLU 34 6.885 -5.111 -3.584 268 HA GLU 34 HA GLU 34 8.318 -7.676 -3.779 269 HB2 GLU 34 1HB GLU 34 6.893 -6.249 -6.038 270 HB3 GLU 34 2HB GLU 34 7.859 -7.708 -6.194 271 HG2 GLU 34 1HG GLU 34 6.260 -8.898 -4.753 272 HG3 GLU 34 2HG GLU 34 5.274 -7.436 -4.669 273 H THR 35 H THR 35 9.887 -7.434 -5.792 274 HA THR 35 HA THR 35 10.962 -4.786 -6.160 275 HB THR 35 HB THR 35 12.149 -5.244 -4.149 276 HG1 THR 35 1HG THR 35 14.010 -4.722 -4.984 277 HG21 THR 35 1HG2 THR 35 11.753 -7.640 -3.953 278 HG22 THR 35 2HG2 THR 35 13.473 -7.290 -3.775 279 HG23 THR 35 3HG2 THR 35 12.862 -7.952 -5.291 Start of MODEL 16 1 H1 CYS 1 1H CYS 1 -15.802 -0.505 -0.787 2 H2 CYS 1 2H CYS 1 -16.344 0.903 -1.544 3 H3 CYS 1 3H CYS 1 -15.429 1.004 -0.126 4 HA CYS 1 HA CYS 1 -14.475 -0.058 -2.708 5 HB2 CYS 1 2HB CYS 1 -13.004 2.033 -2.604 6 HB3 CYS 1 1HB CYS 1 -14.703 2.287 -2.981 7 H LYS 2 H LYS 2 -13.461 -1.870 -1.885 8 HA LYS 2 HA LYS 2 -11.135 -1.297 -0.159 9 HB2 LYS 2 1HB LYS 2 -11.106 -3.841 0.200 10 HB3 LYS 2 2HB LYS 2 -12.347 -2.920 1.038 11 HG2 LYS 2 1HG LYS 2 -14.039 -3.665 -0.417 12 HG3 LYS 2 2HG LYS 2 -12.874 -4.265 -1.597 13 HD2 LYS 2 1HD LYS 2 -14.038 -6.018 -0.194 14 HD3 LYS 2 2HD LYS 2 -12.277 -6.098 -0.222 15 HE2 LYS 2 1HE LYS 2 -13.159 -6.445 2.038 16 HE3 LYS 2 2HE LYS 2 -12.171 -4.991 1.947 17 HZ1 LYS 2 1HZ LYS 2 -14.155 -4.597 3.228 18 HZ2 LYS 2 2HZ LYS 2 -15.139 -5.082 1.942 19 HZ3 LYS 2 3HZ LYS 2 -14.209 -3.679 1.812 20 H GLN 3 H GLN 3 -9.155 -1.660 -0.996 21 HA GLN 3 HA GLN 3 -9.094 -2.515 -3.818 22 HB2 GLN 3 1HB GLN 3 -7.252 -0.547 -2.441 23 HB3 GLN 3 2HB GLN 3 -7.276 -0.940 -4.157 24 HG2 GLN 3 1HG GLN 3 -9.474 0.439 -2.618 25 HG3 GLN 3 2HG GLN 3 -8.336 1.206 -3.724 26 HE21 GLN 3 1HE2 GLN 3 -10.023 0.246 -6.636 27 HE22 GLN 3 2HE2 GLN 3 -8.559 0.856 -5.950 28 H ARG 4 H ARG 4 -7.336 -3.689 -4.560 29 HA ARG 4 HA ARG 4 -5.445 -4.752 -2.563 30 HB2 ARG 4 1HB ARG 4 -7.176 -6.210 -4.517 31 HB3 ARG 4 2HB ARG 4 -5.548 -6.823 -4.279 32 HG2 ARG 4 1HG ARG 4 -7.361 -6.300 -1.942 33 HG3 ARG 4 2HG ARG 4 -7.449 -7.808 -2.855 34 HD2 ARG 4 1HD ARG 4 -4.959 -6.720 -1.526 35 HD3 ARG 4 2HD ARG 4 -5.990 -7.991 -0.863 36 HE ARG 4 HE ARG 4 -5.363 -8.955 -3.303 37 HH11 ARG 4 1HH1 ARG 4 -3.366 -7.757 -0.666 38 HH12 ARG 4 2HH1 ARG 4 -2.009 -8.730 -1.115 39 HH21 ARG 4 1HH2 ARG 4 -3.585 -10.210 -3.870 40 HH22 ARG 4 2HH2 ARG 4 -2.120 -10.114 -2.948 41 H ARG 5 H ARG 5 -3.487 -4.050 -3.068 42 HA ARG 5 HA ARG 5 -2.735 -3.735 -5.898 43 HB2 ARG 5 1HB ARG 5 -2.310 -1.802 -3.613 44 HB3 ARG 5 2HB ARG 5 -1.369 -1.723 -5.096 45 HG2 ARG 5 1HG ARG 5 -4.366 -1.455 -4.900 46 HG3 ARG 5 2HG ARG 5 -3.219 -0.129 -5.102 47 HD2 ARG 5 1HD ARG 5 -2.452 -1.255 -7.217 48 HD3 ARG 5 2HD ARG 5 -3.809 -2.367 -7.035 49 HE ARG 5 HE ARG 5 -4.811 0.235 -6.911 50 HH11 ARG 5 1HH1 ARG 5 -3.259 -1.885 -9.226 51 HH12 ARG 5 2HH1 ARG 5 -3.981 -1.119 -10.605 52 HH21 ARG 5 1HH2 ARG 5 -5.764 1.246 -8.738 53 HH22 ARG 5 2HH2 ARG 5 -5.396 0.653 -10.328 54 H ARG 6 H ARG 6 -0.478 -3.817 -6.307 55 HA ARG 6 HA ARG 6 1.224 -4.824 -4.132 56 HB2 ARG 6 1HB ARG 6 2.346 -6.333 -5.732 57 HB3 ARG 6 2HB ARG 6 0.654 -6.754 -5.514 58 HG2 ARG 6 1HG ARG 6 0.095 -5.677 -7.632 59 HG3 ARG 6 2HG ARG 6 1.784 -5.206 -7.845 60 HD2 ARG 6 1HD ARG 6 2.454 -7.527 -7.950 61 HD3 ARG 6 2HD ARG 6 0.806 -8.051 -7.609 62 HE ARG 6 HE ARG 6 0.926 -6.409 -9.934 63 HH11 ARG 6 1HH1 ARG 6 1.552 -9.653 -8.787 64 HH12 ARG 6 2HH1 ARG 6 1.286 -10.383 -10.337 65 HH21 ARG 6 1HH2 ARG 6 0.595 -7.354 -11.971 66 HH22 ARG 6 2HH2 ARG 6 0.746 -9.076 -12.157 67 H TYR 7 H TYR 7 3.315 -4.029 -4.172 68 HA TYR 7 HA TYR 7 3.937 -2.083 -6.292 69 HB2 TYR 7 2HB TYR 7 3.007 -1.093 -4.059 70 HB3 TYR 7 1HB TYR 7 4.580 -1.521 -3.395 71 HD1 TYR 7 1HD TYR 7 6.619 -0.367 -4.189 72 HD2 TYR 7 2HD TYR 7 2.756 0.739 -5.598 73 HE1 TYR 7 1HE TYR 7 7.537 1.744 -5.042 74 HE2 TYR 7 2HE TYR 7 3.668 2.855 -6.452 75 HH TYR 7 HH TYR 7 7.009 3.441 -6.715 76 H ARG 8 H ARG 8 5.929 -2.348 -7.092 77 HA ARG 8 HA ARG 8 7.785 -4.084 -5.595 78 HB2 ARG 8 1HB ARG 8 6.969 -5.121 -7.668 79 HB3 ARG 8 2HB ARG 8 7.516 -3.729 -8.593 80 HG2 ARG 8 1HG ARG 8 9.822 -4.211 -8.008 81 HG3 ARG 8 2HG ARG 8 9.305 -5.570 -7.010 82 HD2 ARG 8 1HD ARG 8 8.385 -6.665 -9.014 83 HD3 ARG 8 2HD ARG 8 8.953 -5.314 -10.000 84 HE ARG 8 HE ARG 8 11.142 -6.275 -8.580 85 HH11 ARG 8 1HH1 ARG 8 8.972 -7.404 -11.090 86 HH12 ARG 8 2HH1 ARG 8 10.128 -8.518 -11.754 87 HH21 ARG 8 1HH2 ARG 8 12.662 -7.713 -9.480 88 HH22 ARG 8 2HH2 ARG 8 12.219 -8.683 -10.853 89 H GLY 9 H GLY 9 9.702 -3.309 -5.085 90 HA2 GLY 9 1HA GLY 9 11.374 -1.634 -6.480 91 HA3 GLY 9 2HA GLY 9 10.348 -0.556 -5.538 92 H SER 10 H SER 10 10.062 -1.448 -3.174 93 HA SER 10 HA SER 10 12.137 -2.894 -1.953 94 HB2 SER 10 1HB SER 10 13.307 -1.026 -0.797 95 HB3 SER 10 2HB SER 10 13.548 -0.977 -2.542 96 HG SER 10 HG SER 10 12.640 0.907 -2.569 97 H GLU 11 H GLU 11 12.099 -2.535 0.495 98 HA GLU 11 HA GLU 11 9.530 -2.630 1.568 99 HB2 GLU 11 1HB GLU 11 12.204 -1.976 2.825 100 HB3 GLU 11 2HB GLU 11 10.729 -2.110 3.772 101 HG2 GLU 11 1HG GLU 11 11.881 -4.303 2.054 102 HG3 GLU 11 2HG GLU 11 12.096 -4.160 3.798 103 H GLU 12 H GLU 12 11.823 0.058 1.388 104 HA GLU 12 HA GLU 12 10.447 2.011 2.773 105 HB2 GLU 12 1HB GLU 12 12.757 2.220 1.837 106 HB3 GLU 12 2HB GLU 12 12.062 2.403 0.234 107 HG2 GLU 12 1HG GLU 12 12.675 4.559 1.092 108 HG3 GLU 12 2HG GLU 12 10.917 4.456 0.995 109 H GLU 13 H GLU 13 10.382 1.466 -0.732 110 HA GLU 13 HA GLU 13 8.438 3.340 -1.390 111 HB2 GLU 13 1HB GLU 13 9.173 0.749 -2.765 112 HB3 GLU 13 2HB GLU 13 8.189 2.013 -3.492 113 HG2 GLU 13 1HG GLU 13 11.009 2.442 -2.520 114 HG3 GLU 13 2HG GLU 13 10.598 1.998 -4.176 115 H CYS 14 H CYS 14 8.007 -0.171 -0.827 116 HA CYS 14 HA CYS 14 5.236 -0.131 -1.427 117 HB2 CYS 14 2HB CYS 14 6.480 -2.201 -1.601 118 HB3 CYS 14 1HB CYS 14 6.870 -2.158 0.116 119 H ARG 15 H ARG 15 6.985 -0.163 1.666 120 HA ARG 15 HA ARG 15 4.655 -0.377 3.259 121 HB2 ARG 15 1HB ARG 15 7.436 0.575 3.977 122 HB3 ARG 15 2HB ARG 15 6.170 0.200 5.144 123 HG2 ARG 15 1HG ARG 15 6.156 -2.109 4.487 124 HG3 ARG 15 2HG ARG 15 7.241 -1.781 3.138 125 HD2 ARG 15 1HD ARG 15 8.484 -2.805 4.920 126 HD3 ARG 15 2HD ARG 15 8.995 -1.128 4.741 127 HE ARG 15 HE ARG 15 7.075 -1.056 6.686 128 HH11 ARG 15 1HH1 ARG 15 10.037 -2.856 6.230 129 HH12 ARG 15 2HH1 ARG 15 10.413 -2.925 7.920 130 HH21 ARG 15 1HH2 ARG 15 7.542 -1.159 8.918 131 HH22 ARG 15 2HH2 ARG 15 8.997 -1.949 9.458 132 H LYS 16 H LYS 16 6.595 2.416 2.191 133 HA LYS 16 HA LYS 16 5.063 4.383 3.540 134 HB2 LYS 16 1HB LYS 16 6.729 4.465 1.025 135 HB3 LYS 16 2HB LYS 16 5.888 5.887 1.629 136 HG2 LYS 16 1HG LYS 16 7.887 4.308 3.241 137 HG3 LYS 16 2HG LYS 16 8.293 5.727 2.274 138 HD2 LYS 16 1HD LYS 16 6.654 7.046 3.602 139 HD3 LYS 16 2HD LYS 16 6.385 5.627 4.616 140 HE2 LYS 16 1HE LYS 16 7.981 7.266 5.597 141 HE3 LYS 16 2HE LYS 16 8.663 5.655 5.368 142 HZ1 LYS 16 1HZ LYS 16 10.116 7.550 4.670 143 HZ2 LYS 16 2HZ LYS 16 9.034 7.846 3.405 144 HZ3 LYS 16 3HZ LYS 16 9.857 6.373 3.486 145 H TYR 17 H TYR 17 4.772 2.953 0.307 146 HA TYR 17 HA TYR 17 2.617 4.420 -0.657 147 HB2 TYR 17 2HB TYR 17 3.916 2.860 -2.047 148 HB3 TYR 17 1HB TYR 17 3.282 1.496 -1.139 149 HD1 TYR 17 1HD TYR 17 1.189 0.519 -1.707 150 HD2 TYR 17 2HD TYR 17 2.352 4.210 -3.489 151 HE1 TYR 17 1HE TYR 17 -0.668 0.325 -3.307 152 HE2 TYR 17 2HE TYR 17 0.494 4.027 -5.094 153 HH TYR 17 HH TYR 17 -2.052 1.823 -4.728 154 H ALA 18 H ALA 18 2.626 1.442 1.276 155 HA ALA 18 HA ALA 18 -0.176 1.082 1.329 156 HB1 ALA 18 1HB ALA 18 1.912 0.064 3.267 157 HB2 ALA 18 2HB ALA 18 1.396 -0.740 1.785 158 HB3 ALA 18 3HB ALA 18 0.258 -0.536 3.116 159 H GLU 19 H GLU 19 2.081 2.574 3.626 160 HA GLU 19 HA GLU 19 0.275 3.159 5.685 161 HB2 GLU 19 1HB GLU 19 2.908 3.403 5.481 162 HB3 GLU 19 2HB GLU 19 2.521 5.047 5.004 163 HG2 GLU 19 1HG GLU 19 1.681 3.762 7.603 164 HG3 GLU 19 2HG GLU 19 3.093 4.792 7.397 165 H GLU 20 H GLU 20 1.462 5.302 3.099 166 HA GLU 20 HA GLU 20 -0.216 7.466 3.593 167 HB2 GLU 20 1HB GLU 20 0.907 6.560 0.936 168 HB3 GLU 20 2HB GLU 20 0.249 8.156 1.275 169 HG2 GLU 20 1HG GLU 20 2.030 8.504 2.947 170 HG3 GLU 20 2HG GLU 20 2.703 6.930 2.523 171 H LEU 21 H LEU 21 -0.708 4.603 1.575 172 HA LEU 21 HA LEU 21 -3.097 5.371 0.351 173 HB2 LEU 21 1HB LEU 21 -1.568 2.935 0.688 174 HB3 LEU 21 2HB LEU 21 -3.273 2.585 0.877 175 HG LEU 21 HG LEU 21 -2.504 2.232 -1.429 176 HD11 LEU 21 1HD1 LEU 21 -4.265 3.501 -2.552 177 HD12 LEU 21 2HD1 LEU 21 -4.421 4.545 -1.140 178 HD13 LEU 21 3HD1 LEU 21 -4.831 2.834 -1.020 179 HD21 LEU 21 1HD2 LEU 21 -1.876 4.140 -2.828 180 HD22 LEU 21 2HD2 LEU 21 -0.735 3.908 -1.502 181 HD23 LEU 21 3HD2 LEU 21 -1.936 5.200 -1.418 182 H SER 22 H SER 22 -2.601 3.508 3.326 183 HA SER 22 HA SER 22 -5.302 3.111 3.914 184 HB2 SER 22 1HB SER 22 -3.447 1.817 4.916 185 HB3 SER 22 2HB SER 22 -2.971 3.236 5.848 186 HG SER 22 HG SER 22 -4.654 2.977 7.149 187 H ARG 23 H ARG 23 -3.056 5.675 4.974 188 HA ARG 23 HA ARG 23 -5.063 6.856 6.692 189 HB2 ARG 23 1HB ARG 23 -3.403 8.517 7.225 190 HB3 ARG 23 2HB ARG 23 -2.638 6.933 7.217 191 HG2 ARG 23 1HG ARG 23 -1.796 7.413 4.922 192 HG3 ARG 23 2HG ARG 23 -2.456 9.044 5.069 193 HD2 ARG 23 1HD ARG 23 -0.351 7.800 6.837 194 HD3 ARG 23 2HD ARG 23 -0.079 9.013 5.588 195 HE ARG 23 HE ARG 23 -1.860 10.232 7.206 196 HH11 ARG 23 1HH1 ARG 23 1.131 8.531 7.860 197 HH12 ARG 23 2HH1 ARG 23 1.553 9.537 9.218 198 HH21 ARG 23 1HH2 ARG 23 -1.325 11.545 8.987 199 HH22 ARG 23 2HH2 ARG 23 0.146 11.259 9.865 200 H ARG 24 H ARG 24 -3.787 7.540 3.469 201 HA ARG 24 HA ARG 24 -4.951 10.193 3.387 202 HB2 ARG 24 1HB ARG 24 -2.746 9.768 2.399 203 HB3 ARG 24 2HB ARG 24 -3.457 8.615 1.280 204 HG2 ARG 24 1HG ARG 24 -4.732 10.412 0.225 205 HG3 ARG 24 2HG ARG 24 -4.041 11.570 1.362 206 HD2 ARG 24 1HD ARG 24 -2.851 11.639 -0.770 207 HD3 ARG 24 2HD ARG 24 -1.794 11.061 0.520 208 HE ARG 24 HE ARG 24 -3.162 9.090 -1.168 209 HH11 ARG 24 1HH1 ARG 24 -0.160 10.652 -0.228 210 HH12 ARG 24 2HH1 ARG 24 0.838 9.469 -1.018 211 HH21 ARG 24 1HH2 ARG 24 -1.836 7.534 -2.181 212 HH22 ARG 24 2HH2 ARG 24 -0.107 7.684 -2.093 213 H THR 25 H THR 25 -5.457 7.079 1.761 214 HA THR 25 HA THR 25 -7.519 8.113 0.052 215 HB THR 25 HB THR 25 -6.786 5.229 0.635 216 HG1 THR 25 1HG THR 25 -5.593 7.214 -0.869 217 HG21 THR 25 1HG2 THR 25 -8.284 6.458 -1.698 218 HG22 THR 25 2HG2 THR 25 -8.988 5.453 -0.430 219 HG23 THR 25 3HG2 THR 25 -7.815 4.765 -1.551 220 H GLY 26 H GLY 26 -9.616 8.325 0.495 221 HA2 GLY 26 1HA GLY 26 -10.720 7.502 3.028 222 HA3 GLY 26 2HA GLY 26 -11.569 8.334 1.731 223 H CYS 27 H CYS 27 -10.044 5.189 2.317 224 HA CYS 27 HA CYS 27 -12.405 3.677 1.792 225 HB2 CYS 27 2HB CYS 27 -10.263 3.850 -0.342 226 HB3 CYS 27 1HB CYS 27 -11.314 2.445 -0.201 227 H GLU 28 H GLU 28 -11.348 1.236 1.216 228 HA GLU 28 HA GLU 28 -9.328 0.799 3.326 229 HB2 GLU 28 1HB GLU 28 -11.452 -0.263 3.869 230 HB3 GLU 28 2HB GLU 28 -11.517 -1.025 2.287 231 HG2 GLU 28 1HG GLU 28 -9.585 -2.394 2.843 232 HG3 GLU 28 2HG GLU 28 -9.444 -1.589 4.404 233 H VAL 29 H VAL 29 -7.550 -0.511 2.803 234 HA VAL 29 HA VAL 29 -7.285 -1.392 0.038 235 HB VAL 29 HB VAL 29 -6.603 0.968 -0.019 236 HG11 VAL 29 1HG1 VAL 29 -4.636 1.754 1.211 237 HG12 VAL 29 2HG1 VAL 29 -4.508 0.190 2.016 238 HG13 VAL 29 3HG1 VAL 29 -5.907 1.223 2.313 239 HG21 VAL 29 1HG2 VAL 29 -4.379 0.674 -1.020 240 HG22 VAL 29 2HG2 VAL 29 -5.490 -0.599 -1.527 241 HG23 VAL 29 3HG2 VAL 29 -4.268 -0.932 -0.299 242 H GLU 30 H GLU 30 -5.704 -2.904 -0.292 243 HA GLU 30 HA GLU 30 -4.020 -3.712 1.984 244 HB2 GLU 30 1HB GLU 30 -6.179 -5.177 1.284 245 HB3 GLU 30 2HB GLU 30 -5.040 -5.812 0.108 246 HG2 GLU 30 1HG GLU 30 -4.752 -5.849 3.107 247 HG3 GLU 30 2HG GLU 30 -5.090 -7.221 2.054 248 H VAL 31 H VAL 31 -1.914 -4.354 1.350 249 HA VAL 31 HA VAL 31 -1.274 -3.956 -1.499 250 HB VAL 31 HB VAL 31 0.125 -2.482 0.759 251 HG11 VAL 31 1HG1 VAL 31 1.399 -1.364 -1.032 252 HG12 VAL 31 2HG1 VAL 31 0.639 -2.424 -2.221 253 HG13 VAL 31 3HG1 VAL 31 1.702 -3.102 -0.987 254 HG21 VAL 31 1HG2 VAL 31 -0.754 -0.434 -0.297 255 HG22 VAL 31 2HG2 VAL 31 -2.051 -1.491 0.259 256 HG23 VAL 31 3HG2 VAL 31 -1.647 -1.420 -1.457 257 H GLU 32 H GLU 32 0.544 -5.006 -2.236 258 HA GLU 32 HA GLU 32 1.908 -6.827 -0.344 259 HB2 GLU 32 1HB GLU 32 1.256 -7.102 -3.284 260 HB3 GLU 32 2HB GLU 32 2.448 -8.126 -2.495 261 HG2 GLU 32 1HG GLU 32 -0.394 -7.895 -1.541 262 HG3 GLU 32 2HG GLU 32 0.126 -9.085 -2.732 263 H CYS 33 H CYS 33 4.178 -7.112 -0.589 264 HA CYS 33 HA CYS 33 5.502 -4.773 -1.812 265 HB2 CYS 33 2HB CYS 33 6.266 -6.330 0.678 266 HB3 CYS 33 1HB CYS 33 7.194 -4.997 -0.006 267 H GLU 34 H GLU 34 6.837 -5.202 -3.415 268 HA GLU 34 HA GLU 34 8.376 -7.717 -3.395 269 HB2 GLU 34 1HB GLU 34 7.143 -6.374 -5.826 270 HB3 GLU 34 2HB GLU 34 8.215 -7.768 -5.872 271 HG2 GLU 34 1HG GLU 34 6.565 -9.086 -4.636 272 HG3 GLU 34 2HG GLU 34 5.486 -7.693 -4.581 273 H THR 35 H THR 35 10.346 -7.490 -4.891 274 HA THR 35 HA THR 35 11.388 -4.735 -4.916 275 HB THR 35 HB THR 35 12.927 -7.156 -3.920 276 HG1 THR 35 1HG THR 35 11.265 -5.517 -2.648 277 HG21 THR 35 1HG2 THR 35 14.695 -5.533 -3.373 278 HG22 THR 35 2HG2 THR 35 13.749 -4.248 -4.120 279 HG23 THR 35 3HG2 THR 35 14.374 -5.571 -5.106 Start of MODEL 17 1 H1 CYS 1 1H CYS 1 -15.941 -0.145 0.339 2 H2 CYS 1 2H CYS 1 -14.836 -0.005 1.614 3 H3 CYS 1 3H CYS 1 -15.101 -1.505 0.890 4 HA CYS 1 HA CYS 1 -14.178 -0.752 -1.162 5 HB2 CYS 1 2HB CYS 1 -12.933 1.527 -1.018 6 HB3 CYS 1 1HB CYS 1 -14.672 1.527 -1.291 7 H LYS 2 H LYS 2 -12.995 -2.540 -0.441 8 HA LYS 2 HA LYS 2 -10.430 -1.864 0.852 9 HB2 LYS 2 1HB LYS 2 -11.793 -4.566 0.663 10 HB3 LYS 2 2HB LYS 2 -10.228 -4.265 1.408 11 HG2 LYS 2 1HG LYS 2 -11.373 -2.755 3.035 12 HG3 LYS 2 2HG LYS 2 -12.914 -3.269 2.344 13 HD2 LYS 2 1HD LYS 2 -12.398 -5.598 2.937 14 HD3 LYS 2 2HD LYS 2 -10.860 -5.083 3.629 15 HE2 LYS 2 1HE LYS 2 -12.143 -3.648 5.226 16 HE3 LYS 2 2HE LYS 2 -13.628 -4.349 4.585 17 HZ1 LYS 2 1HZ LYS 2 -12.792 -6.547 5.271 18 HZ2 LYS 2 2HZ LYS 2 -12.989 -5.496 6.577 19 HZ3 LYS 2 3HZ LYS 2 -11.444 -5.808 5.976 20 H GLN 3 H GLN 3 -8.578 -2.225 -0.305 21 HA GLN 3 HA GLN 3 -8.842 -3.503 -2.948 22 HB2 GLN 3 1HB GLN 3 -7.538 -0.826 -2.398 23 HB3 GLN 3 2HB GLN 3 -7.488 -1.676 -3.937 24 HG2 GLN 3 1HG GLN 3 -9.872 -1.448 -4.199 25 HG3 GLN 3 2HG GLN 3 -10.019 -0.733 -2.593 26 HE21 GLN 3 1HE2 GLN 3 -9.058 2.473 -3.583 27 HE22 GLN 3 2HE2 GLN 3 -9.334 1.387 -2.269 28 H ARG 4 H ARG 4 -7.053 -4.527 -3.725 29 HA ARG 4 HA ARG 4 -4.613 -4.524 -2.062 30 HB2 ARG 4 1HB ARG 4 -6.073 -6.732 -3.449 31 HB3 ARG 4 2HB ARG 4 -4.318 -6.820 -3.422 32 HG2 ARG 4 1HG ARG 4 -6.055 -6.556 -0.970 33 HG3 ARG 4 2HG ARG 4 -5.395 -8.073 -1.586 34 HD2 ARG 4 1HD ARG 4 -3.109 -7.120 -1.338 35 HD3 ARG 4 2HD ARG 4 -3.824 -5.682 -0.610 36 HE ARG 4 HE ARG 4 -4.708 -7.923 0.819 37 HH11 ARG 4 1HH1 ARG 4 -1.740 -6.175 0.205 38 HH12 ARG 4 2HH1 ARG 4 -1.028 -6.576 1.736 39 HH21 ARG 4 1HH2 ARG 4 -3.769 -8.470 2.834 40 HH22 ARG 4 2HH2 ARG 4 -2.187 -7.883 3.233 41 H ARG 5 H ARG 5 -2.833 -3.760 -3.015 42 HA ARG 5 HA ARG 5 -2.827 -3.506 -5.969 43 HB2 ARG 5 1HB ARG 5 -1.497 -1.671 -3.965 44 HB3 ARG 5 2HB ARG 5 -1.488 -1.468 -5.708 45 HG2 ARG 5 1HG ARG 5 -4.008 -1.424 -4.053 46 HG3 ARG 5 2HG ARG 5 -3.062 0.018 -4.419 47 HD2 ARG 5 1HD ARG 5 -4.800 -0.046 -6.018 48 HD3 ARG 5 2HD ARG 5 -3.347 -0.568 -6.866 49 HE ARG 5 HE ARG 5 -4.385 -2.914 -6.169 50 HH11 ARG 5 1HH1 ARG 5 -5.925 -0.098 -7.569 51 HH12 ARG 5 2HH1 ARG 5 -7.130 -1.023 -8.410 52 HH21 ARG 5 1HH2 ARG 5 -5.972 -4.131 -7.259 53 HH22 ARG 5 2HH2 ARG 5 -7.159 -3.316 -8.229 54 H ARG 6 H ARG 6 -0.628 -3.464 -6.943 55 HA ARG 6 HA ARG 6 1.318 -5.004 -5.344 56 HB2 ARG 6 1HB ARG 6 0.710 -6.329 -7.249 57 HB3 ARG 6 2HB ARG 6 0.898 -4.961 -8.342 58 HG2 ARG 6 1HG ARG 6 3.297 -4.945 -7.977 59 HG3 ARG 6 2HG ARG 6 3.152 -6.222 -6.773 60 HD2 ARG 6 1HD ARG 6 2.440 -7.794 -8.468 61 HD3 ARG 6 2HD ARG 6 2.422 -6.519 -9.689 62 HE ARG 6 HE ARG 6 4.923 -6.352 -9.121 63 HH11 ARG 6 1HH1 ARG 6 3.124 -9.357 -8.995 64 HH12 ARG 6 2HH1 ARG 6 4.491 -10.339 -9.419 65 HH21 ARG 6 1HH2 ARG 6 6.743 -7.663 -9.682 66 HH22 ARG 6 2HH2 ARG 6 6.525 -9.380 -9.834 67 H TYR 7 H TYR 7 3.225 -4.166 -4.953 68 HA TYR 7 HA TYR 7 4.210 -1.893 -6.537 69 HB2 TYR 7 2HB TYR 7 3.267 -1.135 -4.323 70 HB3 TYR 7 1HB TYR 7 4.444 -2.162 -3.518 71 HD1 TYR 7 1HD TYR 7 6.932 -1.640 -3.864 72 HD2 TYR 7 2HD TYR 7 3.830 1.063 -4.980 73 HE1 TYR 7 1HE TYR 7 8.548 0.209 -3.869 74 HE2 TYR 7 2HE TYR 7 5.446 2.918 -4.993 75 HH TYR 7 HH TYR 7 7.649 3.454 -3.932 76 H ARG 8 H ARG 8 6.278 -2.236 -7.222 77 HA ARG 8 HA ARG 8 7.695 -4.514 -5.996 78 HB2 ARG 8 1HB ARG 8 8.832 -4.859 -8.147 79 HB3 ARG 8 2HB ARG 8 7.089 -5.008 -8.297 80 HG2 ARG 8 1HG ARG 8 6.936 -2.851 -9.359 81 HG3 ARG 8 2HG ARG 8 8.653 -2.546 -9.066 82 HD2 ARG 8 1HD ARG 8 9.285 -4.336 -10.548 83 HD3 ARG 8 2HD ARG 8 7.606 -4.842 -10.727 84 HE ARG 8 HE ARG 8 7.530 -2.319 -11.645 85 HH11 ARG 8 1HH1 ARG 8 9.727 -4.967 -12.344 86 HH12 ARG 8 2HH1 ARG 8 9.959 -4.501 -14.001 87 HH21 ARG 8 1HH2 ARG 8 7.838 -1.710 -13.829 88 HH22 ARG 8 2HH2 ARG 8 8.868 -2.667 -14.852 89 H GLY 9 H GLY 9 9.722 -4.241 -5.278 90 HA2 GLY 9 1HA GLY 9 11.828 -2.836 -5.711 91 HA3 GLY 9 2HA GLY 9 10.772 -1.481 -5.340 92 H SER 10 H SER 10 11.332 -0.722 -3.392 93 HA SER 10 HA SER 10 12.400 -2.488 -1.363 94 HB2 SER 10 1HB SER 10 11.881 0.495 -1.224 95 HB3 SER 10 2HB SER 10 12.899 -0.457 -0.141 96 HG SER 10 HG SER 10 14.461 -0.348 -1.543 97 H GLU 11 H GLU 11 11.356 -3.221 0.390 98 HA GLU 11 HA GLU 11 8.536 -3.123 0.514 99 HB2 GLU 11 1HB GLU 11 8.771 -4.335 2.657 100 HB3 GLU 11 2HB GLU 11 9.724 -5.051 1.364 101 HG2 GLU 11 1HG GLU 11 11.736 -3.978 2.251 102 HG3 GLU 11 2HG GLU 11 10.780 -3.272 3.556 103 H GLU 12 H GLU 12 11.044 -1.229 2.035 104 HA GLU 12 HA GLU 12 9.619 0.084 3.982 105 HB2 GLU 12 1HB GLU 12 11.716 1.271 2.152 106 HB3 GLU 12 2HB GLU 12 11.302 1.770 3.764 107 HG2 GLU 12 1HG GLU 12 13.137 0.605 4.324 108 HG3 GLU 12 2HG GLU 12 12.009 -0.745 4.308 109 H GLU 13 H GLU 13 10.054 0.833 0.545 110 HA GLU 13 HA GLU 13 8.407 3.126 0.473 111 HB2 GLU 13 1HB GLU 13 9.132 1.204 -1.752 112 HB3 GLU 13 2HB GLU 13 8.406 2.790 -1.979 113 HG2 GLU 13 1HG GLU 13 11.132 2.187 -0.857 114 HG3 GLU 13 2HG GLU 13 10.764 2.906 -2.423 115 H CYS 14 H CYS 14 7.805 -0.301 -0.137 116 HA CYS 14 HA CYS 14 5.174 -0.131 -1.031 117 HB2 CYS 14 2HB CYS 14 6.423 -2.323 0.653 118 HB3 CYS 14 1HB CYS 14 4.956 -2.477 -0.313 119 H ARG 15 H ARG 15 6.425 -0.304 2.285 120 HA ARG 15 HA ARG 15 3.894 -0.377 3.566 121 HB2 ARG 15 1HB ARG 15 6.611 0.475 4.597 122 HB3 ARG 15 2HB ARG 15 5.189 0.285 5.615 123 HG2 ARG 15 1HG ARG 15 6.483 -1.901 3.984 124 HG3 ARG 15 2HG ARG 15 6.665 -1.666 5.725 125 HD2 ARG 15 1HD ARG 15 4.046 -2.190 4.314 126 HD3 ARG 15 2HD ARG 15 5.011 -3.420 5.125 127 HE ARG 15 HE ARG 15 4.663 -2.070 7.199 128 HH11 ARG 15 1HH1 ARG 15 2.360 -1.886 4.559 129 HH12 ARG 15 2HH1 ARG 15 1.028 -1.474 5.593 130 HH21 ARG 15 1HH2 ARG 15 2.935 -1.532 8.544 131 HH22 ARG 15 2HH2 ARG 15 1.356 -1.262 7.866 132 H LYS 16 H LYS 16 6.177 2.264 2.910 133 HA LYS 16 HA LYS 16 4.815 4.398 4.031 134 HB2 LYS 16 1HB LYS 16 6.421 4.310 1.462 135 HB3 LYS 16 2HB LYS 16 5.940 5.789 2.280 136 HG2 LYS 16 1HG LYS 16 7.357 5.361 4.118 137 HG3 LYS 16 2HG LYS 16 7.604 3.681 3.635 138 HD2 LYS 16 1HD LYS 16 9.565 5.098 3.124 139 HD3 LYS 16 2HD LYS 16 8.855 4.391 1.673 140 HE2 LYS 16 1HE LYS 16 7.673 6.516 1.247 141 HE3 LYS 16 2HE LYS 16 8.456 7.216 2.664 142 HZ1 LYS 16 1HZ LYS 16 9.857 6.177 0.257 143 HZ2 LYS 16 2HZ LYS 16 10.595 6.879 1.603 144 HZ3 LYS 16 3HZ LYS 16 9.595 7.812 0.612 145 H TYR 17 H TYR 17 4.549 3.124 0.739 146 HA TYR 17 HA TYR 17 2.619 4.918 -0.203 147 HB2 TYR 17 2HB TYR 17 3.986 3.605 -1.721 148 HB3 TYR 17 1HB TYR 17 3.300 2.107 -1.104 149 HD1 TYR 17 1HD TYR 17 1.787 1.090 -2.509 150 HD2 TYR 17 2HD TYR 17 2.010 5.341 -2.512 151 HE1 TYR 17 1HE TYR 17 0.064 1.170 -4.258 152 HE2 TYR 17 2HE TYR 17 0.285 5.435 -4.260 153 HH TYR 17 HH TYR 17 -0.560 3.911 -6.079 154 H ALA 18 H ALA 18 2.233 1.601 1.065 155 HA ALA 18 HA ALA 18 -0.519 1.362 0.805 156 HB1 ALA 18 1HB ALA 18 -0.393 -0.311 2.588 157 HB2 ALA 18 2HB ALA 18 1.212 0.271 3.029 158 HB3 ALA 18 3HB ALA 18 0.952 -0.484 1.462 159 H GLU 19 H GLU 19 1.328 2.638 3.560 160 HA GLU 19 HA GLU 19 -0.899 3.108 5.226 161 HB2 GLU 19 1HB GLU 19 1.479 2.915 5.982 162 HB3 GLU 19 2HB GLU 19 1.785 4.506 5.301 163 HG2 GLU 19 1HG GLU 19 1.454 4.635 7.702 164 HG3 GLU 19 2HG GLU 19 0.176 5.492 6.845 165 H GLU 20 H GLU 20 0.975 5.338 3.146 166 HA GLU 20 HA GLU 20 -0.453 7.649 3.870 167 HB2 GLU 20 1HB GLU 20 0.547 8.728 1.948 168 HB3 GLU 20 2HB GLU 20 1.735 7.714 2.743 169 HG2 GLU 20 1HG GLU 20 1.488 6.023 1.026 170 HG3 GLU 20 2HG GLU 20 0.232 6.979 0.244 171 H LEU 21 H LEU 21 -0.828 5.497 1.085 172 HA LEU 21 HA LEU 21 -3.033 6.792 -0.078 173 HB2 LEU 21 1HB LEU 21 -1.661 5.051 -1.196 174 HB3 LEU 21 2HB LEU 21 -2.364 3.842 -0.138 175 HG LEU 21 HG LEU 21 -4.587 4.272 -1.118 176 HD11 LEU 21 1HD1 LEU 21 -4.791 5.652 -3.136 177 HD12 LEU 21 2HD1 LEU 21 -3.115 6.169 -2.946 178 HD13 LEU 21 3HD1 LEU 21 -4.316 6.604 -1.729 179 HD21 LEU 21 1HD2 LEU 21 -4.148 3.295 -3.334 180 HD22 LEU 21 2HD2 LEU 21 -3.225 2.499 -2.061 181 HD23 LEU 21 3HD2 LEU 21 -2.430 3.648 -3.138 182 H SER 22 H SER 22 -2.809 4.352 2.447 183 HA SER 22 HA SER 22 -5.502 3.665 2.689 184 HB2 SER 22 1HB SER 22 -3.639 2.465 3.809 185 HB3 SER 22 2HB SER 22 -3.414 3.840 4.889 186 HG SER 22 HG SER 22 -5.168 1.797 5.055 187 H ARG 23 H ARG 23 -3.659 6.086 4.588 188 HA ARG 23 HA ARG 23 -6.023 7.074 5.822 189 HB2 ARG 23 1HB ARG 23 -4.597 8.796 6.831 190 HB3 ARG 23 2HB ARG 23 -4.001 7.161 7.082 191 HG2 ARG 23 1HG ARG 23 -2.102 8.322 6.549 192 HG3 ARG 23 2HG ARG 23 -2.567 7.616 5.006 193 HD2 ARG 23 1HD ARG 23 -3.719 9.805 4.489 194 HD3 ARG 23 2HD ARG 23 -2.899 10.466 5.914 195 HE ARG 23 HE ARG 23 -0.987 9.187 4.537 196 HH11 ARG 23 1HH1 ARG 23 -3.214 11.753 3.707 197 HH12 ARG 23 2HH1 ARG 23 -2.145 12.487 2.558 198 HH21 ARG 23 1HH2 ARG 23 0.468 10.210 3.066 199 HH22 ARG 23 2HH2 ARG 23 -0.051 11.625 2.206 200 H ARG 24 H ARG 24 -4.460 7.731 2.897 201 HA ARG 24 HA ARG 24 -5.306 10.421 2.564 202 HB2 ARG 24 1HB ARG 24 -3.450 9.463 1.257 203 HB3 ARG 24 2HB ARG 24 -4.570 8.369 0.455 204 HG2 ARG 24 1HG ARG 24 -5.748 10.338 -0.488 205 HG3 ARG 24 2HG ARG 24 -4.525 11.380 0.246 206 HD2 ARG 24 1HD ARG 24 -2.784 10.236 -1.064 207 HD3 ARG 24 2HD ARG 24 -4.020 9.217 -1.803 208 HE ARG 24 HE ARG 24 -4.330 12.100 -2.117 209 HH11 ARG 24 1HH1 ARG 24 -3.250 9.076 -3.506 210 HH12 ARG 24 2HH1 ARG 24 -3.297 9.663 -5.138 211 HH21 ARG 24 1HH2 ARG 24 -4.414 12.871 -4.270 212 HH22 ARG 24 2HH2 ARG 24 -3.960 11.812 -5.571 213 H THR 25 H THR 25 -6.520 7.328 1.303 214 HA THR 25 HA THR 25 -8.794 8.525 0.038 215 HB THR 25 HB THR 25 -9.518 6.170 -0.356 216 HG1 THR 25 1HG THR 25 -7.059 5.314 0.758 217 HG21 THR 25 1HG2 THR 25 -7.997 7.282 -1.947 218 HG22 THR 25 2HG2 THR 25 -7.674 5.552 -1.842 219 HG23 THR 25 3HG2 THR 25 -6.613 6.697 -1.024 220 H GLY 26 H GLY 26 -8.239 6.721 3.025 221 HA2 GLY 26 1HA GLY 26 -9.567 6.972 4.984 222 HA3 GLY 26 2HA GLY 26 -10.905 7.520 3.980 223 H CYS 27 H CYS 27 -10.062 5.207 2.131 224 HA CYS 27 HA CYS 27 -11.813 3.206 3.283 225 HB2 CYS 27 2HB CYS 27 -10.388 3.455 0.626 226 HB3 CYS 27 1HB CYS 27 -11.289 2.014 1.077 227 H GLU 28 H GLU 28 -10.691 0.852 2.331 228 HA GLU 28 HA GLU 28 -8.162 0.688 3.832 229 HB2 GLU 28 1HB GLU 28 -10.012 -0.635 4.814 230 HB3 GLU 28 2HB GLU 28 -10.168 -1.521 3.303 231 HG2 GLU 28 1HG GLU 28 -8.915 -2.742 5.064 232 HG3 GLU 28 2HG GLU 28 -7.998 -2.503 3.574 233 H VAL 29 H VAL 29 -6.415 0.147 2.751 234 HA VAL 29 HA VAL 29 -6.546 -1.375 0.298 235 HB VAL 29 HB VAL 29 -6.901 0.857 -0.583 236 HG11 VAL 29 1HG1 VAL 29 -5.307 2.677 -0.268 237 HG12 VAL 29 2HG1 VAL 29 -4.357 1.673 0.829 238 HG13 VAL 29 3HG1 VAL 29 -5.994 2.163 1.273 239 HG21 VAL 29 1HG2 VAL 29 -5.495 -0.650 -1.899 240 HG22 VAL 29 2HG2 VAL 29 -4.056 -0.048 -1.077 241 HG23 VAL 29 3HG2 VAL 29 -4.994 1.026 -2.115 242 H GLU 30 H GLU 30 -4.924 -2.745 0.309 243 HA GLU 30 HA GLU 30 -2.445 -2.010 1.720 244 HB2 GLU 30 1HB GLU 30 -4.240 -3.919 2.605 245 HB3 GLU 30 2HB GLU 30 -3.106 -4.890 1.682 246 HG2 GLU 30 1HG GLU 30 -2.311 -2.992 3.887 247 HG3 GLU 30 2HG GLU 30 -2.606 -4.712 4.117 248 H VAL 31 H VAL 31 -0.537 -2.893 0.798 249 HA VAL 31 HA VAL 31 -0.892 -3.626 -2.025 250 HB VAL 31 HB VAL 31 1.104 -2.436 -2.575 251 HG11 VAL 31 1HG1 VAL 31 -0.510 -0.717 -0.685 252 HG12 VAL 31 2HG1 VAL 31 -0.916 -1.059 -2.365 253 HG13 VAL 31 3HG1 VAL 31 0.535 -0.138 -1.981 254 HG21 VAL 31 1HG2 VAL 31 2.477 -2.998 -0.652 255 HG22 VAL 31 2HG2 VAL 31 1.496 -1.966 0.385 256 HG23 VAL 31 3HG2 VAL 31 2.473 -1.253 -0.899 257 H GLU 32 H GLU 32 0.913 -4.858 -2.903 258 HA GLU 32 HA GLU 32 2.155 -6.627 -0.906 259 HB2 GLU 32 1HB GLU 32 0.552 -7.732 -2.495 260 HB3 GLU 32 2HB GLU 32 1.593 -7.239 -3.826 261 HG2 GLU 32 1HG GLU 32 1.918 -9.589 -3.125 262 HG3 GLU 32 2HG GLU 32 3.383 -8.613 -3.023 263 H CYS 33 H CYS 33 4.380 -7.041 -1.132 264 HA CYS 33 HA CYS 33 5.749 -5.008 -2.779 265 HB2 CYS 33 2HB CYS 33 5.769 -4.839 -0.188 266 HB3 CYS 33 1HB CYS 33 6.901 -6.186 -0.257 267 H GLU 34 H GLU 34 6.772 -5.878 -4.416 268 HA GLU 34 HA GLU 34 7.930 -8.572 -4.215 269 HB2 GLU 34 1HB GLU 34 6.091 -7.716 -6.467 270 HB3 GLU 34 2HB GLU 34 6.795 -9.311 -6.217 271 HG2 GLU 34 1HG GLU 34 5.463 -9.638 -4.237 272 HG3 GLU 34 2HG GLU 34 4.848 -7.990 -4.342 273 H THR 35 H THR 35 8.983 -9.049 -6.496 274 HA THR 35 HA THR 35 10.165 -6.572 -7.551 275 HB THR 35 HB THR 35 11.917 -7.741 -6.407 276 HG1 THR 35 1HG THR 35 12.889 -6.996 -8.148 277 HG21 THR 35 1HG2 THR 35 12.595 -10.034 -6.920 278 HG22 THR 35 2HG2 THR 35 11.236 -10.200 -8.032 279 HG23 THR 35 3HG2 THR 35 10.943 -9.987 -6.305 Start of MODEL 18 1 H1 CYS 1 1H CYS 1 -14.873 -1.077 2.686 2 H2 CYS 1 2H CYS 1 -15.672 0.372 2.339 3 H3 CYS 1 3H CYS 1 -14.321 0.370 3.355 4 HA CYS 1 HA CYS 1 -14.327 -0.307 0.481 5 HB2 CYS 1 2HB CYS 1 -14.645 2.059 0.826 6 HB3 CYS 1 1HB CYS 1 -13.338 2.110 1.996 7 H LYS 2 H LYS 2 -13.012 -1.991 0.344 8 HA LYS 2 HA LYS 2 -10.312 -1.760 1.506 9 HB2 LYS 2 1HB LYS 2 -12.008 -4.256 1.245 10 HB3 LYS 2 2HB LYS 2 -10.276 -4.299 1.546 11 HG2 LYS 2 1HG LYS 2 -10.682 -2.955 3.617 12 HG3 LYS 2 2HG LYS 2 -12.413 -3.157 3.334 13 HD2 LYS 2 1HD LYS 2 -12.160 -5.590 3.456 14 HD3 LYS 2 2HD LYS 2 -10.423 -5.405 3.702 15 HE2 LYS 2 1HE LYS 2 -10.873 -4.178 5.795 16 HE3 LYS 2 2HE LYS 2 -12.603 -4.427 5.553 17 HZ1 LYS 2 1HZ LYS 2 -10.563 -6.554 5.952 18 HZ2 LYS 2 2HZ LYS 2 -12.202 -6.834 5.642 19 HZ3 LYS 2 3HZ LYS 2 -11.730 -6.064 7.073 20 H GLN 3 H GLN 3 -8.747 -1.764 0.042 21 HA GLN 3 HA GLN 3 -9.416 -2.579 -2.724 22 HB2 GLN 3 1HB GLN 3 -7.521 -0.412 -1.771 23 HB3 GLN 3 2HB GLN 3 -7.778 -0.863 -3.450 24 HG2 GLN 3 1HG GLN 3 -9.908 0.235 -1.619 25 HG3 GLN 3 2HG GLN 3 -8.980 1.190 -2.776 26 HE21 GLN 3 1HE2 GLN 3 -12.316 0.025 -4.133 27 HE22 GLN 3 2HE2 GLN 3 -11.868 0.697 -2.608 28 H ARG 4 H ARG 4 -7.514 -3.274 -4.019 29 HA ARG 4 HA ARG 4 -5.263 -4.295 -2.439 30 HB2 ARG 4 1HB ARG 4 -5.387 -6.487 -3.319 31 HB3 ARG 4 2HB ARG 4 -7.034 -6.108 -2.840 32 HG2 ARG 4 1HG ARG 4 -7.425 -5.455 -5.274 33 HG3 ARG 4 2HG ARG 4 -5.877 -6.229 -5.613 34 HD2 ARG 4 1HD ARG 4 -7.472 -7.898 -6.022 35 HD3 ARG 4 2HD ARG 4 -6.841 -8.282 -4.418 36 HE ARG 4 HE ARG 4 -8.884 -7.076 -3.558 37 HH11 ARG 4 1HH1 ARG 4 -8.838 -8.772 -6.622 38 HH12 ARG 4 2HH1 ARG 4 -10.564 -8.915 -6.718 39 HH21 ARG 4 1HH2 ARG 4 -11.156 -7.266 -3.670 40 HH22 ARG 4 2HH2 ARG 4 -11.892 -8.043 -5.038 41 H ARG 5 H ARG 5 -3.319 -4.058 -3.466 42 HA ARG 5 HA ARG 5 -3.243 -3.413 -6.306 43 HB2 ARG 5 1HB ARG 5 -2.584 -1.428 -4.141 44 HB3 ARG 5 2HB ARG 5 -1.864 -1.313 -5.745 45 HG2 ARG 5 1HG ARG 5 -3.975 -1.005 -6.779 46 HG3 ARG 5 2HG ARG 5 -4.840 -1.445 -5.306 47 HD2 ARG 5 1HD ARG 5 -4.931 0.938 -5.638 48 HD3 ARG 5 2HD ARG 5 -3.962 0.560 -4.218 49 HE ARG 5 HE ARG 5 -2.044 1.291 -5.335 50 HH11 ARG 5 1HH1 ARG 5 -4.824 1.394 -7.477 51 HH12 ARG 5 2HH1 ARG 5 -4.093 2.539 -8.560 52 HH21 ARG 5 1HH2 ARG 5 -1.110 2.813 -6.745 53 HH22 ARG 5 2HH2 ARG 5 -1.987 3.342 -8.151 54 H ARG 6 H ARG 6 -0.796 -2.740 -6.822 55 HA ARG 6 HA ARG 6 0.955 -4.579 -5.346 56 HB2 ARG 6 1HB ARG 6 1.849 -5.528 -7.377 57 HB3 ARG 6 2HB ARG 6 0.106 -5.741 -7.371 58 HG2 ARG 6 1HG ARG 6 1.513 -3.539 -8.880 59 HG3 ARG 6 2HG ARG 6 1.111 -5.108 -9.578 60 HD2 ARG 6 1HD ARG 6 -0.821 -3.044 -8.510 61 HD3 ARG 6 2HD ARG 6 -0.575 -3.492 -10.198 62 HE ARG 6 HE ARG 6 -2.194 -4.842 -8.266 63 HH11 ARG 6 1HH1 ARG 6 -0.310 -5.303 -11.188 64 HH12 ARG 6 2HH1 ARG 6 -1.152 -6.747 -11.650 65 HH21 ARG 6 1HH2 ARG 6 -3.300 -6.731 -8.888 66 HH22 ARG 6 2HH2 ARG 6 -2.834 -7.570 -10.333 67 H TYR 7 H TYR 7 3.179 -4.150 -5.512 68 HA TYR 7 HA TYR 7 4.099 -1.729 -6.817 69 HB2 TYR 7 2HB TYR 7 3.081 -1.116 -4.508 70 HB3 TYR 7 1HB TYR 7 4.453 -1.966 -3.816 71 HD1 TYR 7 1HD TYR 7 6.460 -0.792 -3.422 72 HD2 TYR 7 2HD TYR 7 3.611 0.821 -6.149 73 HE1 TYR 7 1HE TYR 7 7.779 1.279 -3.565 74 HE2 TYR 7 2HE TYR 7 4.929 2.892 -6.305 75 HH TYR 7 HH TYR 7 6.582 4.137 -4.886 76 H ARG 8 H ARG 8 6.559 -1.501 -6.282 77 HA ARG 8 HA ARG 8 7.766 -4.068 -5.574 78 HB2 ARG 8 1HB ARG 8 9.212 -4.099 -7.518 79 HB3 ARG 8 2HB ARG 8 7.535 -4.089 -8.033 80 HG2 ARG 8 1HG ARG 8 7.724 -1.672 -8.507 81 HG3 ARG 8 2HG ARG 8 9.430 -1.741 -8.057 82 HD2 ARG 8 1HD ARG 8 9.722 -3.499 -9.846 83 HD3 ARG 8 2HD ARG 8 8.071 -3.145 -10.359 84 HE ARG 8 HE ARG 8 9.719 -0.802 -10.221 85 HH11 ARG 8 1HH1 ARG 8 8.830 -3.515 -12.259 86 HH12 ARG 8 2HH1 ARG 8 9.302 -2.723 -13.728 87 HH21 ARG 8 1HH2 ARG 8 10.354 0.229 -12.133 88 HH22 ARG 8 2HH2 ARG 8 10.165 -0.580 -13.660 89 H GLY 9 H GLY 9 9.646 -3.895 -4.462 90 HA2 GLY 9 1HA GLY 9 11.674 -2.214 -4.418 91 HA3 GLY 9 2HA GLY 9 10.440 -1.164 -3.734 92 H SER 10 H SER 10 11.535 -0.993 -1.755 93 HA SER 10 HA SER 10 12.010 -3.463 -0.241 94 HB2 SER 10 1HB SER 10 13.910 -1.875 -0.565 95 HB3 SER 10 2HB SER 10 12.997 -0.650 0.317 96 HG SER 10 HG SER 10 14.417 -2.803 1.251 97 H GLU 11 H GLU 11 11.908 -2.868 2.260 98 HA GLU 11 HA GLU 11 9.220 -2.996 2.937 99 HB2 GLU 11 1HB GLU 11 9.992 -2.690 5.294 100 HB3 GLU 11 2HB GLU 11 10.885 -3.915 4.407 101 HG2 GLU 11 1HG GLU 11 12.727 -2.354 4.071 102 HG3 GLU 11 2HG GLU 11 11.830 -1.096 4.917 103 H GLU 12 H GLU 12 11.425 -0.219 3.082 104 HA GLU 12 HA GLU 12 9.748 1.576 4.408 105 HB2 GLU 12 1HB GLU 12 12.124 2.071 3.935 106 HB3 GLU 12 2HB GLU 12 11.757 2.194 2.218 107 HG2 GLU 12 1HG GLU 12 10.040 4.008 3.009 108 HG3 GLU 12 2HG GLU 12 11.059 4.061 4.444 109 H GLU 13 H GLU 13 10.124 0.905 0.967 110 HA GLU 13 HA GLU 13 8.346 2.906 0.059 111 HB2 GLU 13 1HB GLU 13 9.244 0.370 -1.339 112 HB3 GLU 13 2HB GLU 13 8.527 1.783 -2.113 113 HG2 GLU 13 1HG GLU 13 10.440 3.140 -1.464 114 HG3 GLU 13 2HG GLU 13 11.142 1.772 -0.607 115 H CYS 14 H CYS 14 7.965 -0.556 0.702 116 HA CYS 14 HA CYS 14 5.315 -0.851 -0.151 117 HB2 CYS 14 2HB CYS 14 6.862 -2.283 2.015 118 HB3 CYS 14 1HB CYS 14 5.265 -2.783 1.474 119 H ARG 15 H ARG 15 6.562 -0.138 3.115 120 HA ARG 15 HA ARG 15 4.076 0.094 4.393 121 HB2 ARG 15 1HB ARG 15 6.786 1.285 4.999 122 HB3 ARG 15 2HB ARG 15 5.403 1.513 6.060 123 HG2 ARG 15 1HG ARG 15 6.461 -1.199 5.275 124 HG3 ARG 15 2HG ARG 15 6.981 -0.322 6.717 125 HD2 ARG 15 1HD ARG 15 4.150 -1.166 6.081 126 HD3 ARG 15 2HD ARG 15 5.222 -1.947 7.243 127 HE ARG 15 HE ARG 15 3.944 0.684 7.529 128 HH11 ARG 15 1HH1 ARG 15 5.931 -1.859 8.897 129 HH12 ARG 15 2HH1 ARG 15 5.799 -1.257 10.516 130 HH21 ARG 15 1HH2 ARG 15 3.800 1.491 9.636 131 HH22 ARG 15 2HH2 ARG 15 4.620 0.674 10.936 132 H LYS 16 H LYS 16 6.249 2.687 3.308 133 HA LYS 16 HA LYS 16 4.756 4.889 3.758 134 HB2 LYS 16 1HB LYS 16 7.142 4.528 2.826 135 HB3 LYS 16 2HB LYS 16 6.375 4.507 1.245 136 HG2 LYS 16 1HG LYS 16 5.614 6.738 1.516 137 HG3 LYS 16 2HG LYS 16 6.111 6.747 3.206 138 HD2 LYS 16 1HD LYS 16 7.687 7.958 1.681 139 HD3 LYS 16 2HD LYS 16 8.431 6.652 2.607 140 HE2 LYS 16 1HE LYS 16 8.221 5.172 0.634 141 HE3 LYS 16 2HE LYS 16 7.546 6.519 -0.282 142 HZ1 LYS 16 1HZ LYS 16 9.622 7.726 0.051 143 HZ2 LYS 16 2HZ LYS 16 9.890 6.253 -0.734 144 HZ3 LYS 16 3HZ LYS 16 10.268 6.410 0.903 145 H TYR 17 H TYR 17 4.776 2.971 0.760 146 HA TYR 17 HA TYR 17 2.894 4.433 -0.677 147 HB2 TYR 17 2HB TYR 17 4.381 2.737 -1.661 148 HB3 TYR 17 1HB TYR 17 3.518 1.467 -0.807 149 HD1 TYR 17 1HD TYR 17 1.521 0.530 -1.711 150 HD2 TYR 17 2HD TYR 17 3.221 4.009 -3.494 151 HE1 TYR 17 1HE TYR 17 0.037 0.256 -3.652 152 HE2 TYR 17 2HE TYR 17 1.736 3.743 -5.436 153 HH TYR 17 HH TYR 17 0.515 1.796 -6.556 154 H ALA 18 H ALA 18 2.411 1.490 1.279 155 HA ALA 18 HA ALA 18 -0.355 1.256 0.823 156 HB1 ALA 18 1HB ALA 18 -0.342 -0.324 2.680 157 HB2 ALA 18 2HB ALA 18 1.255 0.244 3.168 158 HB3 ALA 18 3HB ALA 18 1.046 -0.582 1.624 159 H GLU 19 H GLU 19 1.420 2.720 3.536 160 HA GLU 19 HA GLU 19 -0.854 3.295 5.097 161 HB2 GLU 19 1HB GLU 19 1.878 4.603 5.104 162 HB3 GLU 19 2HB GLU 19 0.652 4.835 6.345 163 HG2 GLU 19 1HG GLU 19 0.737 2.436 6.868 164 HG3 GLU 19 2HG GLU 19 1.983 2.218 5.642 165 H GLU 20 H GLU 20 1.061 5.364 2.899 166 HA GLU 20 HA GLU 20 -0.515 7.670 3.158 167 HB2 GLU 20 1HB GLU 20 1.158 6.688 0.837 168 HB3 GLU 20 2HB GLU 20 0.389 8.269 0.877 169 HG2 GLU 20 1HG GLU 20 1.679 8.796 2.930 170 HG3 GLU 20 2HG GLU 20 2.511 7.250 2.762 171 H LEU 21 H LEU 21 -0.796 4.890 1.019 172 HA LEU 21 HA LEU 21 -2.818 5.804 -0.674 173 HB2 LEU 21 1HB LEU 21 -1.345 3.645 -0.705 174 HB3 LEU 21 2HB LEU 21 -2.632 2.942 0.249 175 HG LEU 21 HG LEU 21 -2.983 4.098 -2.529 176 HD11 LEU 21 1HD1 LEU 21 -3.125 1.770 -3.270 177 HD12 LEU 21 2HD1 LEU 21 -2.743 1.219 -1.640 178 HD13 LEU 21 3HD1 LEU 21 -1.548 2.129 -2.565 179 HD21 LEU 21 1HD2 LEU 21 -4.868 2.448 -0.831 180 HD22 LEU 21 2HD2 LEU 21 -5.149 2.949 -2.498 181 HD23 LEU 21 3HD2 LEU 21 -5.051 4.160 -1.221 182 H SER 22 H SER 22 -3.076 3.937 2.348 183 HA SER 22 HA SER 22 -5.842 3.762 2.470 184 HB2 SER 22 1HB SER 22 -3.852 3.873 4.751 185 HB3 SER 22 2HB SER 22 -5.452 3.162 4.786 186 HG SER 22 HG SER 22 -3.122 2.217 3.578 187 H ARG 23 H ARG 23 -3.650 6.042 4.137 188 HA ARG 23 HA ARG 23 -5.727 7.455 5.442 189 HB2 ARG 23 1HB ARG 23 -3.991 9.061 6.087 190 HB3 ARG 23 2HB ARG 23 -3.441 7.406 6.313 191 HG2 ARG 23 1HG ARG 23 -2.307 7.629 4.047 192 HG3 ARG 23 2HG ARG 23 -2.636 9.356 4.170 193 HD2 ARG 23 1HD ARG 23 -1.113 7.769 6.237 194 HD3 ARG 23 2HD ARG 23 -0.351 8.667 4.925 195 HE ARG 23 HE ARG 23 -2.067 10.381 6.363 196 HH11 ARG 23 1HH1 ARG 23 0.975 8.676 6.736 197 HH12 ARG 23 2HH1 ARG 23 1.652 9.857 7.813 198 HH21 ARG 23 1HH2 ARG 23 -1.188 11.920 7.795 199 HH22 ARG 23 2HH2 ARG 23 0.421 11.707 8.408 200 H ARG 24 H ARG 24 -4.303 7.803 2.271 201 HA ARG 24 HA ARG 24 -5.335 10.473 1.847 202 HB2 ARG 24 1HB ARG 24 -3.386 9.924 0.587 203 HB3 ARG 24 2HB ARG 24 -4.094 8.421 0.007 204 HG2 ARG 24 1HG ARG 24 -5.775 9.759 -1.251 205 HG3 ARG 24 2HG ARG 24 -4.923 11.219 -0.756 206 HD2 ARG 24 1HD ARG 24 -2.985 10.603 -1.999 207 HD3 ARG 24 2HD ARG 24 -3.602 8.971 -2.269 208 HE ARG 24 HE ARG 24 -5.103 9.802 -3.861 209 HH11 ARG 24 1HH1 ARG 24 -3.041 12.337 -2.568 210 HH12 ARG 24 2HH1 ARG 24 -3.514 13.489 -3.776 211 HH21 ARG 24 1HH2 ARG 24 -5.731 11.326 -5.417 212 HH22 ARG 24 2HH2 ARG 24 -5.027 12.913 -5.402 213 H THR 25 H THR 25 -6.093 7.275 0.477 214 HA THR 25 HA THR 25 -8.305 8.174 -1.033 215 HB THR 25 HB THR 25 -7.759 5.339 -0.117 216 HG1 THR 25 1HG THR 25 -5.937 5.752 -1.169 217 HG21 THR 25 1HG2 THR 25 -9.186 6.420 -2.564 218 HG22 THR 25 2HG2 THR 25 -9.951 5.632 -1.182 219 HG23 THR 25 3HG2 THR 25 -8.866 4.717 -2.230 220 H GLY 26 H GLY 26 -7.969 7.346 2.293 221 HA2 GLY 26 1HA GLY 26 -9.510 7.349 4.013 222 HA3 GLY 26 2HA GLY 26 -10.730 7.887 2.863 223 H CYS 27 H CYS 27 -8.683 5.019 3.030 224 HA CYS 27 HA CYS 27 -10.970 3.252 3.319 225 HB2 CYS 27 2HB CYS 27 -9.244 3.315 0.831 226 HB3 CYS 27 1HB CYS 27 -10.223 1.926 1.282 227 H GLU 28 H GLU 28 -10.032 0.886 2.971 228 HA GLU 28 HA GLU 28 -7.381 0.699 4.245 229 HB2 GLU 28 1HB GLU 28 -9.216 -0.275 5.586 230 HB3 GLU 28 2HB GLU 28 -9.685 -1.283 4.224 231 HG2 GLU 28 1HG GLU 28 -8.418 -2.531 5.898 232 HG3 GLU 28 2HG GLU 28 -7.585 -2.478 4.344 233 H VAL 29 H VAL 29 -5.841 -0.632 3.220 234 HA VAL 29 HA VAL 29 -6.620 -1.832 0.662 235 HB VAL 29 HB VAL 29 -5.961 0.479 0.118 236 HG11 VAL 29 1HG1 VAL 29 -4.437 0.912 1.969 237 HG12 VAL 29 2HG1 VAL 29 -3.642 1.228 0.427 238 HG13 VAL 29 3HG1 VAL 29 -3.288 -0.253 1.317 239 HG21 VAL 29 1HG2 VAL 29 -4.288 -0.046 -1.604 240 HG22 VAL 29 2HG2 VAL 29 -5.541 -1.283 -1.520 241 HG23 VAL 29 3HG2 VAL 29 -3.955 -1.586 -0.811 242 H GLU 30 H GLU 30 -5.435 -3.548 0.068 243 HA GLU 30 HA GLU 30 -3.082 -4.248 1.691 244 HB2 GLU 30 1HB GLU 30 -5.405 -5.795 0.921 245 HB3 GLU 30 2HB GLU 30 -3.951 -6.543 0.273 246 HG2 GLU 30 1HG GLU 30 -2.966 -6.609 2.491 247 HG3 GLU 30 2HG GLU 30 -4.378 -5.799 3.160 248 H VAL 31 H VAL 31 -1.236 -4.147 0.670 249 HA VAL 31 HA VAL 31 -1.235 -4.157 -2.273 250 HB VAL 31 HB VAL 31 -0.740 -1.923 -1.292 251 HG11 VAL 31 1HG1 VAL 31 1.369 -1.535 -0.123 252 HG12 VAL 31 2HG1 VAL 31 1.701 -3.268 -0.131 253 HG13 VAL 31 3HG1 VAL 31 0.328 -2.637 0.781 254 HG21 VAL 31 1HG2 VAL 31 0.158 -2.517 -3.480 255 HG22 VAL 31 2HG2 VAL 31 1.599 -3.200 -2.718 256 HG23 VAL 31 3HG2 VAL 31 1.273 -1.467 -2.602 257 H GLU 32 H GLU 32 0.393 -5.271 -3.288 258 HA GLU 32 HA GLU 32 1.940 -7.108 -1.579 259 HB2 GLU 32 1HB GLU 32 0.986 -7.474 -4.434 260 HB3 GLU 32 2HB GLU 32 1.896 -8.652 -3.500 261 HG2 GLU 32 1HG GLU 32 -0.875 -7.659 -2.837 262 HG3 GLU 32 2HG GLU 32 -0.496 -9.189 -3.624 263 H CYS 33 H CYS 33 4.120 -7.420 -2.057 264 HA CYS 33 HA CYS 33 5.285 -5.252 -3.680 265 HB2 CYS 33 2HB CYS 33 6.356 -6.564 -1.170 266 HB3 CYS 33 1HB CYS 33 7.200 -5.330 -2.105 267 H GLU 34 H GLU 34 6.719 -5.706 -5.181 268 HA GLU 34 HA GLU 34 7.832 -8.431 -5.342 269 HB2 GLU 34 1HB GLU 34 7.072 -6.548 -7.595 270 HB3 GLU 34 2HB GLU 34 7.889 -8.094 -7.812 271 HG2 GLU 34 1HG GLU 34 5.988 -9.288 -6.987 272 HG3 GLU 34 2HG GLU 34 5.184 -7.794 -6.518 273 H THR 35 H THR 35 9.860 -8.350 -6.856 274 HA THR 35 HA THR 35 11.484 -5.978 -6.448 275 HB THR 35 HB THR 35 12.359 -8.663 -5.329 276 HG1 THR 35 1HG THR 35 11.158 -6.397 -4.156 277 HG21 THR 35 1HG2 THR 35 14.230 -7.305 -6.133 278 HG22 THR 35 2HG2 THR 35 14.230 -7.370 -4.369 279 HG23 THR 35 3HG2 THR 35 13.648 -5.927 -5.199 Start of MODEL 19 1 H1 CYS 1 1H CYS 1 -15.053 -0.881 0.923 2 H2 CYS 1 2H CYS 1 -14.639 -1.340 -0.648 3 H3 CYS 1 3H CYS 1 -15.643 -0.010 -0.399 4 HA CYS 1 HA CYS 1 -13.389 0.632 -0.990 5 HB2 CYS 1 2HB CYS 1 -15.022 1.699 0.983 6 HB3 CYS 1 1HB CYS 1 -13.454 1.594 1.781 7 H LYS 2 H LYS 2 -13.048 -2.087 -0.241 8 HA LYS 2 HA LYS 2 -10.500 -1.854 1.214 9 HB2 LYS 2 1HB LYS 2 -12.404 -3.282 2.278 10 HB3 LYS 2 2HB LYS 2 -12.048 -4.446 1.011 11 HG2 LYS 2 1HG LYS 2 -9.976 -3.408 2.942 12 HG3 LYS 2 2HG LYS 2 -10.937 -4.853 3.235 13 HD2 LYS 2 1HD LYS 2 -9.166 -4.477 0.812 14 HD3 LYS 2 2HD LYS 2 -8.647 -5.278 2.296 15 HE2 LYS 2 1HE LYS 2 -10.966 -6.133 0.560 16 HE3 LYS 2 2HE LYS 2 -9.369 -6.881 0.577 17 HZ1 LYS 2 1HZ LYS 2 -11.236 -6.750 2.883 18 HZ2 LYS 2 2HZ LYS 2 -9.709 -7.473 2.897 19 HZ3 LYS 2 3HZ LYS 2 -10.939 -8.115 1.931 20 H GLN 3 H GLN 3 -8.887 -1.947 -0.197 21 HA GLN 3 HA GLN 3 -9.224 -3.574 -2.641 22 HB2 GLN 3 1HB GLN 3 -9.668 -1.143 -3.051 23 HB3 GLN 3 2HB GLN 3 -8.027 -0.793 -2.530 24 HG2 GLN 3 1HG GLN 3 -7.191 -2.206 -4.392 25 HG3 GLN 3 2HG GLN 3 -8.856 -2.404 -4.938 26 HE21 GLN 3 1HE2 GLN 3 -6.809 1.022 -5.645 27 HE22 GLN 3 2HE2 GLN 3 -6.189 -0.218 -4.617 28 H ARG 4 H ARG 4 -7.160 -4.129 -3.693 29 HA ARG 4 HA ARG 4 -4.793 -3.843 -1.983 30 HB2 ARG 4 1HB ARG 4 -5.615 -6.056 -1.481 31 HB3 ARG 4 2HB ARG 4 -5.791 -6.431 -3.191 32 HG2 ARG 4 1HG ARG 4 -3.439 -6.524 -3.508 33 HG3 ARG 4 2HG ARG 4 -3.127 -5.815 -1.922 34 HD2 ARG 4 1HD ARG 4 -2.726 -8.261 -2.001 35 HD3 ARG 4 2HD ARG 4 -3.950 -7.794 -0.819 36 HE ARG 4 HE ARG 4 -4.735 -8.769 -3.486 37 HH11 ARG 4 1HH1 ARG 4 -4.772 -9.081 0.008 38 HH12 ARG 4 2HH1 ARG 4 -5.980 -10.328 0.006 39 HH21 ARG 4 1HH2 ARG 4 -6.322 -10.423 -3.482 40 HH22 ARG 4 2HH2 ARG 4 -6.870 -11.078 -1.971 41 H ARG 5 H ARG 5 -2.845 -3.713 -3.060 42 HA ARG 5 HA ARG 5 -2.868 -3.789 -5.997 43 HB2 ARG 5 1HB ARG 5 -1.991 -1.490 -4.268 44 HB3 ARG 5 2HB ARG 5 -1.402 -1.700 -5.916 45 HG2 ARG 5 1HG ARG 5 -3.705 -1.638 -6.745 46 HG3 ARG 5 2HG ARG 5 -4.286 -1.403 -5.095 47 HD2 ARG 5 1HD ARG 5 -4.167 0.693 -6.343 48 HD3 ARG 5 2HD ARG 5 -3.102 0.684 -4.943 49 HE ARG 5 HE ARG 5 -1.346 1.016 -6.347 50 HH11 ARG 5 1HH1 ARG 5 -3.966 -0.374 -8.215 51 HH12 ARG 5 2HH1 ARG 5 -3.115 -0.271 -9.723 52 HH21 ARG 5 1HH2 ARG 5 -0.239 1.191 -8.336 53 HH22 ARG 5 2HH2 ARG 5 -0.988 0.617 -9.792 54 H ARG 6 H ARG 6 -0.500 -3.530 -6.804 55 HA ARG 6 HA ARG 6 1.403 -4.717 -4.898 56 HB2 ARG 6 1HB ARG 6 1.020 -5.509 -7.799 57 HB3 ARG 6 2HB ARG 6 2.407 -5.982 -6.824 58 HG2 ARG 6 1HG ARG 6 0.779 -7.050 -5.224 59 HG3 ARG 6 2HG ARG 6 -0.472 -6.766 -6.435 60 HD2 ARG 6 1HD ARG 6 0.740 -8.131 -8.046 61 HD3 ARG 6 2HD ARG 6 2.059 -8.353 -6.894 62 HE ARG 6 HE ARG 6 -0.632 -9.520 -6.707 63 HH11 ARG 6 1HH1 ARG 6 2.691 -9.359 -5.570 64 HH12 ARG 6 2HH1 ARG 6 2.530 -10.750 -4.546 65 HH21 ARG 6 1HH2 ARG 6 -0.817 -11.372 -5.407 66 HH22 ARG 6 2HH2 ARG 6 0.540 -11.905 -4.463 67 H TYR 7 H TYR 7 3.191 -3.596 -4.692 68 HA TYR 7 HA TYR 7 3.873 -1.574 -6.735 69 HB2 TYR 7 2HB TYR 7 3.146 -0.706 -4.475 70 HB3 TYR 7 1HB TYR 7 4.531 -1.533 -3.771 71 HD1 TYR 7 1HD TYR 7 6.640 -0.463 -3.691 72 HD2 TYR 7 2HD TYR 7 3.595 1.092 -6.238 73 HE1 TYR 7 1HE TYR 7 8.031 1.520 -4.136 74 HE2 TYR 7 2HE TYR 7 4.981 3.076 -6.685 75 HH TYR 7 HH TYR 7 8.293 3.263 -5.772 76 H ARG 8 H ARG 8 6.240 -1.196 -6.969 77 HA ARG 8 HA ARG 8 7.723 -3.701 -6.471 78 HB2 ARG 8 1HB ARG 8 9.021 -3.253 -8.490 79 HB3 ARG 8 2HB ARG 8 7.306 -3.313 -8.864 80 HG2 ARG 8 1HG ARG 8 7.202 -0.915 -9.052 81 HG3 ARG 8 2HG ARG 8 8.864 -0.759 -8.478 82 HD2 ARG 8 1HD ARG 8 9.632 -2.024 -10.468 83 HD3 ARG 8 2HD ARG 8 7.968 -2.068 -11.050 84 HE ARG 8 HE ARG 8 8.096 0.194 -11.581 85 HH11 ARG 8 1HH1 ARG 8 11.041 -0.850 -9.982 86 HH12 ARG 8 2HH1 ARG 8 11.942 0.549 -10.474 87 HH21 ARG 8 1HH2 ARG 8 9.296 2.019 -12.230 88 HH22 ARG 8 2HH2 ARG 8 10.959 2.174 -11.750 89 H GLY 9 H GLY 9 9.434 -3.586 -5.199 90 HA2 GLY 9 1HA GLY 9 11.512 -1.918 -5.045 91 HA3 GLY 9 2HA GLY 9 10.282 -0.981 -4.205 92 H SER 10 H SER 10 11.044 -1.053 -2.162 93 HA SER 10 HA SER 10 11.619 -3.693 -0.989 94 HB2 SER 10 1HB SER 10 13.441 -1.921 -0.983 95 HB3 SER 10 2HB SER 10 12.426 -0.996 0.123 96 HG SER 10 HG SER 10 13.582 -3.548 0.533 97 H GLU 11 H GLU 11 11.132 -3.693 1.471 98 HA GLU 11 HA GLU 11 8.311 -3.557 1.676 99 HB2 GLU 11 1HB GLU 11 8.542 -4.407 3.917 100 HB3 GLU 11 2HB GLU 11 9.691 -5.234 2.880 101 HG2 GLU 11 1HG GLU 11 10.337 -2.987 4.783 102 HG3 GLU 11 2HG GLU 11 10.634 -4.701 5.067 103 H GLU 12 H GLU 12 10.876 -1.471 2.916 104 HA GLU 12 HA GLU 12 9.403 0.267 4.506 105 HB2 GLU 12 1HB GLU 12 11.806 0.421 4.390 106 HB3 GLU 12 2HB GLU 12 11.757 0.753 2.666 107 HG2 GLU 12 1HG GLU 12 12.283 2.745 3.971 108 HG3 GLU 12 2HG GLU 12 10.779 2.928 3.072 109 H GLU 13 H GLU 13 10.049 0.462 1.026 110 HA GLU 13 HA GLU 13 8.517 2.759 0.509 111 HB2 GLU 13 1HB GLU 13 9.203 0.485 -1.371 112 HB3 GLU 13 2HB GLU 13 8.675 2.097 -1.846 113 HG2 GLU 13 1HG GLU 13 10.691 3.065 -0.873 114 HG3 GLU 13 2HG GLU 13 11.214 1.469 -0.342 115 H CYS 14 H CYS 14 7.721 -0.691 0.467 116 HA CYS 14 HA CYS 14 5.107 -0.524 -0.536 117 HB2 CYS 14 2HB CYS 14 6.241 -2.468 1.493 118 HB3 CYS 14 1HB CYS 14 4.714 -2.675 0.646 119 H ARG 15 H ARG 15 6.339 -0.304 2.788 120 HA ARG 15 HA ARG 15 3.804 -0.219 4.036 121 HB2 ARG 15 1HB ARG 15 6.531 0.679 4.988 122 HB3 ARG 15 2HB ARG 15 5.094 0.722 6.002 123 HG2 ARG 15 1HG ARG 15 4.838 -1.732 5.639 124 HG3 ARG 15 2HG ARG 15 6.380 -1.719 4.783 125 HD2 ARG 15 1HD ARG 15 7.521 -0.957 6.781 126 HD3 ARG 15 2HD ARG 15 5.986 -0.825 7.643 127 HE ARG 15 HE ARG 15 6.587 -3.454 6.587 128 HH11 ARG 15 1HH1 ARG 15 6.876 -1.312 9.350 129 HH12 ARG 15 2HH1 ARG 15 7.014 -2.611 10.494 130 HH21 ARG 15 1HH2 ARG 15 6.787 -5.147 8.086 131 HH22 ARG 15 2HH2 ARG 15 6.969 -4.790 9.774 132 H LYS 16 H LYS 16 6.130 2.446 3.362 133 HA LYS 16 HA LYS 16 4.518 4.511 4.219 134 HB2 LYS 16 1HB LYS 16 7.015 4.415 3.360 135 HB3 LYS 16 2HB LYS 16 6.285 4.888 1.828 136 HG2 LYS 16 1HG LYS 16 5.307 6.842 2.880 137 HG3 LYS 16 2HG LYS 16 5.963 6.340 4.434 138 HD2 LYS 16 1HD LYS 16 7.352 8.089 3.488 139 HD3 LYS 16 2HD LYS 16 8.245 6.568 3.526 140 HE2 LYS 16 1HE LYS 16 8.648 7.676 1.421 141 HE3 LYS 16 2HE LYS 16 7.692 6.226 1.132 142 HZ1 LYS 16 1HZ LYS 16 6.632 8.997 1.278 143 HZ2 LYS 16 2HZ LYS 16 5.712 7.609 0.998 144 HZ3 LYS 16 3HZ LYS 16 6.866 8.103 -0.136 145 H TYR 17 H TYR 17 4.768 3.047 0.999 146 HA TYR 17 HA TYR 17 2.995 4.701 -0.383 147 HB2 TYR 17 2HB TYR 17 4.434 3.126 -1.541 148 HB3 TYR 17 1HB TYR 17 3.646 1.761 -0.760 149 HD1 TYR 17 1HD TYR 17 1.847 0.688 -1.817 150 HD2 TYR 17 2HD TYR 17 3.002 4.575 -3.132 151 HE1 TYR 17 1HE TYR 17 0.325 0.486 -3.738 152 HE2 TYR 17 2HE TYR 17 1.474 4.383 -5.050 153 HH TYR 17 HH TYR 17 0.383 2.665 -6.374 154 H ALA 18 H ALA 18 2.351 1.675 1.380 155 HA ALA 18 HA ALA 18 -0.416 1.580 0.774 156 HB1 ALA 18 1HB ALA 18 -0.560 -0.146 2.477 157 HB2 ALA 18 2HB ALA 18 1.027 0.306 3.105 158 HB3 ALA 18 3HB ALA 18 0.880 -0.389 1.491 159 H GLU 19 H GLU 19 1.405 2.910 3.483 160 HA GLU 19 HA GLU 19 -0.782 3.457 5.182 161 HB2 GLU 19 1HB GLU 19 1.776 3.384 5.660 162 HB3 GLU 19 2HB GLU 19 1.775 5.057 5.134 163 HG2 GLU 19 1HG GLU 19 0.040 4.035 7.369 164 HG3 GLU 19 2HG GLU 19 1.668 4.658 7.615 165 H GLU 20 H GLU 20 1.077 5.542 2.980 166 HA GLU 20 HA GLU 20 -0.524 7.839 3.263 167 HB2 GLU 20 1HB GLU 20 1.207 6.976 0.931 168 HB3 GLU 20 2HB GLU 20 0.552 8.591 1.153 169 HG2 GLU 20 1HG GLU 20 1.814 8.794 3.255 170 HG3 GLU 20 2HG GLU 20 2.502 7.197 2.980 171 H LEU 21 H LEU 21 -0.655 5.127 1.026 172 HA LEU 21 HA LEU 21 -2.670 6.059 -0.689 173 HB2 LEU 21 1HB LEU 21 -1.159 4.111 -1.072 174 HB3 LEU 21 2HB LEU 21 -2.056 3.214 0.134 175 HG LEU 21 HG LEU 21 -4.049 3.245 -1.281 176 HD11 LEU 21 1HD1 LEU 21 -3.716 5.405 -2.372 177 HD12 LEU 21 2HD1 LEU 21 -3.952 4.128 -3.566 178 HD13 LEU 21 3HD1 LEU 21 -2.334 4.757 -3.258 179 HD21 LEU 21 1HD2 LEU 21 -2.446 1.409 -1.544 180 HD22 LEU 21 2HD2 LEU 21 -1.571 2.336 -2.762 181 HD23 LEU 21 3HD2 LEU 21 -3.220 1.797 -3.082 182 H SER 22 H SER 22 -2.817 4.175 2.302 183 HA SER 22 HA SER 22 -5.593 3.709 2.318 184 HB2 SER 22 1HB SER 22 -4.050 2.410 3.713 185 HB3 SER 22 2HB SER 22 -3.652 3.851 4.647 186 HG SER 22 HG SER 22 -6.339 3.027 4.437 187 H ARG 23 H ARG 23 -3.637 6.196 4.009 188 HA ARG 23 HA ARG 23 -5.893 7.471 5.174 189 HB2 ARG 23 1HB ARG 23 -4.385 9.304 5.737 190 HB3 ARG 23 2HB ARG 23 -3.624 7.757 6.082 191 HG2 ARG 23 1HG ARG 23 -2.257 7.926 4.112 192 HG3 ARG 23 2HG ARG 23 -3.115 9.376 3.591 193 HD2 ARG 23 1HD ARG 23 -0.948 9.919 4.590 194 HD3 ARG 23 2HD ARG 23 -2.285 10.591 5.523 195 HE ARG 23 HE ARG 23 -1.183 8.018 6.387 196 HH11 ARG 23 1HH1 ARG 23 -1.452 11.473 6.897 197 HH12 ARG 23 2HH1 ARG 23 -0.841 11.405 8.522 198 HH21 ARG 23 1HH2 ARG 23 -0.396 7.925 8.508 199 HH22 ARG 23 2HH2 ARG 23 -0.232 9.388 9.439 200 H ARG 24 H ARG 24 -4.303 7.807 2.084 201 HA ARG 24 HA ARG 24 -5.404 10.316 1.350 202 HB2 ARG 24 1HB ARG 24 -3.449 9.286 0.222 203 HB3 ARG 24 2HB ARG 24 -4.500 8.038 -0.430 204 HG2 ARG 24 1HG ARG 24 -5.741 9.739 -1.691 205 HG3 ARG 24 2HG ARG 24 -4.675 10.989 -1.040 206 HD2 ARG 24 1HD ARG 24 -2.749 9.849 -2.077 207 HD3 ARG 24 2HD ARG 24 -3.846 8.654 -2.768 208 HE ARG 24 HE ARG 24 -4.367 11.435 -3.438 209 HH11 ARG 24 1HH1 ARG 24 -3.074 8.347 -4.423 210 HH12 ARG 24 2HH1 ARG 24 -2.868 8.812 -6.082 211 HH21 ARG 24 1HH2 ARG 24 -4.168 12.042 -5.626 212 HH22 ARG 24 2HH2 ARG 24 -3.517 10.917 -6.774 213 H THR 25 H THR 25 -6.350 6.968 0.617 214 HA THR 25 HA THR 25 -8.760 7.712 -0.740 215 HB THR 25 HB THR 25 -9.293 5.251 -0.551 216 HG1 THR 25 1HG THR 25 -6.689 4.778 0.365 217 HG21 THR 25 1HG2 THR 25 -6.540 5.941 -1.613 218 HG22 THR 25 2HG2 THR 25 -8.060 6.124 -2.490 219 HG23 THR 25 3HG2 THR 25 -7.481 4.514 -2.053 220 H GLY 26 H GLY 26 -7.866 7.015 2.555 221 HA2 GLY 26 1HA GLY 26 -9.052 7.311 4.521 222 HA3 GLY 26 2HA GLY 26 -10.418 7.881 3.574 223 H CYS 27 H CYS 27 -9.038 4.884 2.686 224 HA CYS 27 HA CYS 27 -11.216 3.403 4.010 225 HB2 CYS 27 2HB CYS 27 -10.295 3.137 1.133 226 HB3 CYS 27 1HB CYS 27 -11.460 2.076 1.922 227 H GLU 28 H GLU 28 -10.415 0.863 2.822 228 HA GLU 28 HA GLU 28 -7.886 0.503 4.314 229 HB2 GLU 28 1HB GLU 28 -9.804 -0.566 5.407 230 HB3 GLU 28 2HB GLU 28 -10.164 -1.459 3.935 231 HG2 GLU 28 1HG GLU 28 -8.156 -2.739 4.127 232 HG3 GLU 28 2HG GLU 28 -7.564 -1.718 5.438 233 H VAL 29 H VAL 29 -6.236 0.146 3.025 234 HA VAL 29 HA VAL 29 -6.639 -1.452 0.587 235 HB VAL 29 HB VAL 29 -4.794 0.943 0.814 236 HG11 VAL 29 1HG1 VAL 29 -4.548 0.661 -1.629 237 HG12 VAL 29 2HG1 VAL 29 -5.510 -0.816 -1.538 238 HG13 VAL 29 3HG1 VAL 29 -3.947 -0.727 -0.724 239 HG21 VAL 29 1HG2 VAL 29 -7.129 1.669 0.796 240 HG22 VAL 29 2HG2 VAL 29 -7.428 0.706 -0.651 241 HG23 VAL 29 3HG2 VAL 29 -6.329 2.084 -0.719 242 H GLU 30 H GLU 30 -5.185 -2.994 0.220 243 HA GLU 30 HA GLU 30 -2.861 -3.227 2.016 244 HB2 GLU 30 1HB GLU 30 -4.478 -5.033 2.351 245 HB3 GLU 30 2HB GLU 30 -4.502 -5.374 0.627 246 HG2 GLU 30 1HG GLU 30 -2.191 -6.124 0.716 247 HG3 GLU 30 2HG GLU 30 -2.105 -5.712 2.430 248 H VAL 31 H VAL 31 -0.885 -4.002 1.039 249 HA VAL 31 HA VAL 31 -0.819 -3.929 -1.888 250 HB VAL 31 HB VAL 31 -0.278 -1.632 -0.857 251 HG11 VAL 31 1HG1 VAL 31 1.128 -2.405 0.982 252 HG12 VAL 31 2HG1 VAL 31 2.001 -1.288 -0.067 253 HG13 VAL 31 3HG1 VAL 31 2.313 -3.022 -0.173 254 HG21 VAL 31 1HG2 VAL 31 1.492 -1.182 -2.493 255 HG22 VAL 31 2HG2 VAL 31 0.206 -2.172 -3.179 256 HG23 VAL 31 3HG2 VAL 31 1.736 -2.919 -2.709 257 H GLU 32 H GLU 32 0.864 -5.083 -2.811 258 HA GLU 32 HA GLU 32 2.446 -6.766 -0.969 259 HB2 GLU 32 1HB GLU 32 0.668 -7.535 -3.008 260 HB3 GLU 32 2HB GLU 32 2.259 -7.766 -3.714 261 HG2 GLU 32 1HG GLU 32 1.457 -8.910 -1.042 262 HG3 GLU 32 2HG GLU 32 1.243 -9.766 -2.567 263 H CYS 33 H CYS 33 4.600 -7.454 -1.977 264 HA CYS 33 HA CYS 33 5.773 -5.066 -3.258 265 HB2 CYS 33 2HB CYS 33 7.129 -7.023 -1.388 266 HB3 CYS 33 1HB CYS 33 7.826 -5.547 -2.046 267 H GLU 34 H GLU 34 6.676 -5.319 -5.150 268 HA GLU 34 HA GLU 34 7.391 -8.014 -6.107 269 HB2 GLU 34 1HB GLU 34 6.635 -5.581 -7.751 270 HB3 GLU 34 2HB GLU 34 6.926 -7.204 -8.358 271 HG2 GLU 34 1HG GLU 34 4.690 -6.463 -6.485 272 HG3 GLU 34 2HG GLU 34 4.535 -6.567 -8.236 273 H THR 35 H THR 35 9.205 -7.989 -7.707 274 HA THR 35 HA THR 35 11.401 -6.413 -6.706 275 HB THR 35 HB THR 35 12.689 -7.631 -8.556 276 HG1 THR 35 1HG THR 35 10.564 -8.093 -9.683 277 HG21 THR 35 1HG2 THR 35 12.716 -8.404 -6.228 278 HG22 THR 35 2HG2 THR 35 12.702 -9.769 -7.347 279 HG23 THR 35 3HG2 THR 35 11.223 -9.304 -6.507 Start of MODEL 20 1 H1 CYS 1 1H CYS 1 -15.235 -0.970 -1.247 2 H2 CYS 1 2H CYS 1 -14.314 -0.232 -2.458 3 H3 CYS 1 3H CYS 1 -15.673 0.552 -1.835 4 HA CYS 1 HA CYS 1 -13.625 1.491 -0.979 5 HB2 CYS 1 2HB CYS 1 -15.771 1.438 0.339 6 HB3 CYS 1 1HB CYS 1 -15.170 0.006 1.162 7 H LYS 2 H LYS 2 -13.264 -1.561 -1.707 8 HA LYS 2 HA LYS 2 -10.955 -1.946 0.092 9 HB2 LYS 2 1HB LYS 2 -12.424 -4.000 -1.592 10 HB3 LYS 2 2HB LYS 2 -10.991 -4.323 -0.628 11 HG2 LYS 2 1HG LYS 2 -12.323 -3.617 1.394 12 HG3 LYS 2 2HG LYS 2 -13.748 -3.609 0.350 13 HD2 LYS 2 1HD LYS 2 -11.947 -5.973 0.919 14 HD3 LYS 2 2HD LYS 2 -13.582 -5.731 1.536 15 HE2 LYS 2 1HE LYS 2 -14.489 -5.874 -0.709 16 HE3 LYS 2 2HE LYS 2 -12.866 -5.992 -1.387 17 HZ1 LYS 2 1HZ LYS 2 -14.108 -7.975 0.440 18 HZ2 LYS 2 2HZ LYS 2 -12.569 -8.087 -0.248 19 HZ3 LYS 2 3HZ LYS 2 -13.938 -8.152 -1.235 20 H GLN 3 H GLN 3 -8.994 -1.724 -0.787 21 HA GLN 3 HA GLN 3 -8.742 -1.917 -3.719 22 HB2 GLN 3 1HB GLN 3 -7.385 0.022 -1.846 23 HB3 GLN 3 2HB GLN 3 -6.866 -0.240 -3.502 24 HG2 GLN 3 1HG GLN 3 -9.040 0.507 -4.319 25 HG3 GLN 3 2HG GLN 3 -9.588 0.751 -2.662 26 HE21 GLN 3 1HE2 GLN 3 -8.269 3.897 -4.347 27 HE22 GLN 3 2HE2 GLN 3 -9.257 2.616 -4.952 28 H ARG 4 H ARG 4 -7.270 -3.245 -4.439 29 HA ARG 4 HA ARG 4 -5.387 -4.463 -2.528 30 HB2 ARG 4 1HB ARG 4 -7.290 -5.923 -3.449 31 HB3 ARG 4 2HB ARG 4 -6.486 -5.810 -5.008 32 HG2 ARG 4 1HG ARG 4 -4.523 -6.902 -4.124 33 HG3 ARG 4 2HG ARG 4 -5.214 -6.903 -2.502 34 HD2 ARG 4 1HD ARG 4 -6.303 -8.380 -4.903 35 HD3 ARG 4 2HD ARG 4 -5.425 -9.100 -3.555 36 HE ARG 4 HE ARG 4 -8.147 -7.960 -3.437 37 HH11 ARG 4 1HH1 ARG 4 -5.616 -9.911 -1.989 38 HH12 ARG 4 2HH1 ARG 4 -6.672 -10.618 -0.806 39 HH21 ARG 4 1HH2 ARG 4 -9.524 -8.918 -1.884 40 HH22 ARG 4 2HH2 ARG 4 -8.883 -10.078 -0.762 41 H ARG 5 H ARG 5 -3.319 -4.025 -2.980 42 HA ARG 5 HA ARG 5 -2.716 -2.825 -5.606 43 HB2 ARG 5 1HB ARG 5 -1.523 -2.218 -2.883 44 HB3 ARG 5 2HB ARG 5 -0.977 -1.505 -4.393 45 HG2 ARG 5 1HG ARG 5 -3.700 -1.156 -3.141 46 HG3 ARG 5 2HG ARG 5 -2.398 0.035 -3.175 47 HD2 ARG 5 1HD ARG 5 -2.507 -0.144 -5.712 48 HD3 ARG 5 2HD ARG 5 -4.015 -1.029 -5.482 49 HE ARG 5 HE ARG 5 -4.121 1.401 -4.061 50 HH11 ARG 5 1HH1 ARG 5 -4.271 0.103 -7.305 51 HH12 ARG 5 2HH1 ARG 5 -5.048 1.505 -7.973 52 HH21 ARG 5 1HH2 ARG 5 -5.185 3.254 -4.929 53 HH22 ARG 5 2HH2 ARG 5 -5.591 3.278 -6.614 54 H ARG 6 H ARG 6 -1.030 -3.545 -6.733 55 HA ARG 6 HA ARG 6 0.809 -5.478 -5.477 56 HB2 ARG 6 1HB ARG 6 -0.495 -6.440 -7.337 57 HB3 ARG 6 2HB ARG 6 0.051 -5.151 -8.399 58 HG2 ARG 6 1HG ARG 6 2.363 -5.942 -8.157 59 HG3 ARG 6 2HG ARG 6 1.797 -7.246 -7.113 60 HD2 ARG 6 1HD ARG 6 0.446 -8.138 -8.949 61 HD3 ARG 6 2HD ARG 6 0.988 -6.822 -9.996 62 HE ARG 6 HE ARG 6 3.240 -8.131 -8.984 63 HH11 ARG 6 1HH1 ARG 6 0.599 -8.770 -11.199 64 HH12 ARG 6 2HH1 ARG 6 1.492 -9.929 -12.122 65 HH21 ARG 6 1HH2 ARG 6 4.408 -9.635 -10.180 66 HH22 ARG 6 2HH2 ARG 6 3.664 -10.444 -11.529 67 H TYR 7 H TYR 7 2.538 -4.338 -4.841 68 HA TYR 7 HA TYR 7 3.492 -2.141 -6.568 69 HB2 TYR 7 2HB TYR 7 2.577 -1.449 -4.345 70 HB3 TYR 7 1HB TYR 7 3.802 -2.437 -3.562 71 HD1 TYR 7 1HD TYR 7 6.010 -1.607 -3.231 72 HD2 TYR 7 2HD TYR 7 3.290 0.543 -5.699 73 HE1 TYR 7 1HE TYR 7 7.557 0.298 -3.268 74 HE2 TYR 7 2HE TYR 7 4.835 2.458 -5.741 75 HH TYR 7 HH TYR 7 6.673 3.391 -4.455 76 H ARG 8 H ARG 8 5.718 -1.919 -6.877 77 HA ARG 8 HA ARG 8 7.348 -4.232 -6.056 78 HB2 ARG 8 1HB ARG 8 8.677 -3.866 -8.133 79 HB3 ARG 8 2HB ARG 8 7.015 -4.349 -8.435 80 HG2 ARG 8 1HG ARG 8 6.425 -2.040 -8.967 81 HG3 ARG 8 2HG ARG 8 8.081 -1.530 -8.627 82 HD2 ARG 8 1HD ARG 8 7.198 -3.437 -10.798 83 HD3 ARG 8 2HD ARG 8 7.753 -1.777 -11.019 84 HE ARG 8 HE ARG 8 9.802 -3.038 -9.707 85 HH11 ARG 8 1HH1 ARG 8 8.087 -3.592 -12.717 86 HH12 ARG 8 2HH1 ARG 8 9.458 -4.303 -13.508 87 HH21 ARG 8 1HH2 ARG 8 11.602 -3.957 -10.755 88 HH22 ARG 8 2HH2 ARG 8 11.460 -4.495 -12.399 89 H GLY 9 H GLY 9 8.709 -3.674 -4.540 90 HA2 GLY 9 1HA GLY 9 10.714 -1.778 -4.719 91 HA3 GLY 9 2HA GLY 9 9.371 -0.989 -3.895 92 H SER 10 H SER 10 11.426 -1.066 -2.357 93 HA SER 10 HA SER 10 11.682 -3.556 -0.909 94 HB2 SER 10 1HB SER 10 12.874 -0.845 -0.271 95 HB3 SER 10 2HB SER 10 13.378 -2.405 0.386 96 HG SER 10 HG SER 10 13.572 -1.511 -2.302 97 H GLU 11 H GLU 11 11.658 -3.372 1.562 98 HA GLU 11 HA GLU 11 9.092 -3.249 2.470 99 HB2 GLU 11 1HB GLU 11 10.017 -3.166 4.756 100 HB3 GLU 11 2HB GLU 11 10.878 -4.313 3.736 101 HG2 GLU 11 1HG GLU 11 12.694 -2.734 3.436 102 HG3 GLU 11 2HG GLU 11 11.819 -1.518 4.363 103 H GLU 12 H GLU 12 11.441 -0.592 2.506 104 HA GLU 12 HA GLU 12 9.897 1.169 4.086 105 HB2 GLU 12 1HB GLU 12 12.296 1.505 3.794 106 HB3 GLU 12 2HB GLU 12 12.078 1.771 2.069 107 HG2 GLU 12 1HG GLU 12 10.824 3.803 2.510 108 HG3 GLU 12 2HG GLU 12 10.933 3.519 4.245 109 H GLU 13 H GLU 13 10.383 1.035 0.543 110 HA GLU 13 HA GLU 13 8.613 3.049 -0.174 111 HB2 GLU 13 1HB GLU 13 9.258 0.488 -1.661 112 HB3 GLU 13 2HB GLU 13 8.345 1.821 -2.351 113 HG2 GLU 13 1HG GLU 13 10.491 2.130 -3.167 114 HG3 GLU 13 2HG GLU 13 10.388 3.264 -1.824 115 H CYS 14 H CYS 14 7.999 -0.371 0.420 116 HA CYS 14 HA CYS 14 5.290 -0.480 -0.198 117 HB2 CYS 14 2HB CYS 14 6.836 -1.969 1.937 118 HB3 CYS 14 1HB CYS 14 5.201 -2.383 1.429 119 H ARG 15 H ARG 15 6.798 0.163 2.978 120 HA ARG 15 HA ARG 15 4.398 0.574 4.375 121 HB2 ARG 15 1HB ARG 15 7.233 1.465 4.883 122 HB3 ARG 15 2HB ARG 15 5.930 1.912 5.972 123 HG2 ARG 15 1HG ARG 15 6.817 -0.895 5.303 124 HG3 ARG 15 2HG ARG 15 7.108 -0.028 6.814 125 HD2 ARG 15 1HD ARG 15 4.474 -0.993 5.706 126 HD3 ARG 15 2HD ARG 15 5.271 -1.492 7.199 127 HE ARG 15 HE ARG 15 4.857 1.219 7.461 128 HH11 ARG 15 1HH1 ARG 15 2.860 -1.631 7.059 129 HH12 ARG 15 2HH1 ARG 15 1.444 -0.888 7.739 130 HH21 ARG 15 1HH2 ARG 15 3.006 2.197 8.366 131 HH22 ARG 15 2HH2 ARG 15 1.536 1.286 8.502 132 H LYS 16 H LYS 16 6.539 2.881 2.724 133 HA LYS 16 HA LYS 16 5.365 5.227 3.542 134 HB2 LYS 16 1HB LYS 16 7.608 4.678 2.472 135 HB3 LYS 16 2HB LYS 16 6.753 4.593 0.941 136 HG2 LYS 16 1HG LYS 16 7.766 6.673 1.114 137 HG3 LYS 16 2HG LYS 16 6.032 6.889 1.290 138 HD2 LYS 16 1HD LYS 16 6.246 7.148 3.680 139 HD3 LYS 16 2HD LYS 16 7.965 6.758 3.604 140 HE2 LYS 16 1HE LYS 16 6.641 9.184 2.381 141 HE3 LYS 16 2HE LYS 16 7.596 9.167 3.864 142 HZ1 LYS 16 1HZ LYS 16 9.502 8.400 2.531 143 HZ2 LYS 16 2HZ LYS 16 8.946 9.922 2.052 144 HZ3 LYS 16 3HZ LYS 16 8.573 8.558 1.125 145 H TYR 17 H TYR 17 5.075 3.516 0.433 146 HA TYR 17 HA TYR 17 3.089 5.138 -0.694 147 HB2 TYR 17 2HB TYR 17 4.556 3.592 -1.963 148 HB3 TYR 17 1HB TYR 17 3.712 2.222 -1.259 149 HD1 TYR 17 1HD TYR 17 1.528 1.549 -2.090 150 HD2 TYR 17 2HD TYR 17 3.472 5.000 -3.663 151 HE1 TYR 17 1HE TYR 17 -0.057 1.582 -3.970 152 HE2 TYR 17 2HE TYR 17 1.888 5.041 -5.540 153 HH TYR 17 HH TYR 17 0.431 3.358 -6.757 154 H ALA 18 H ALA 18 2.842 2.058 1.059 155 HA ALA 18 HA ALA 18 0.080 1.669 0.685 156 HB1 ALA 18 1HB ALA 18 1.623 -0.116 1.370 157 HB2 ALA 18 2HB ALA 18 0.238 0.012 2.455 158 HB3 ALA 18 3HB ALA 18 1.807 0.654 2.945 159 H GLU 19 H GLU 19 1.886 3.179 3.358 160 HA GLU 19 HA GLU 19 -0.424 3.557 4.970 161 HB2 GLU 19 1HB GLU 19 1.863 3.444 5.905 162 HB3 GLU 19 2HB GLU 19 2.239 4.983 5.140 163 HG2 GLU 19 1HG GLU 19 0.796 6.176 6.554 164 HG3 GLU 19 2HG GLU 19 -0.040 4.714 7.077 165 H GLU 20 H GLU 20 1.448 5.767 2.867 166 HA GLU 20 HA GLU 20 -0.091 8.047 3.234 167 HB2 GLU 20 1HB GLU 20 1.736 7.044 1.146 168 HB3 GLU 20 2HB GLU 20 0.574 8.236 0.586 169 HG2 GLU 20 1HG GLU 20 2.669 9.276 1.245 170 HG3 GLU 20 2HG GLU 20 1.339 9.812 2.266 171 H LEU 21 H LEU 21 -0.569 5.402 0.925 172 HA LEU 21 HA LEU 21 -2.846 6.472 -0.346 173 HB2 LEU 21 1HB LEU 21 -1.299 4.529 -1.039 174 HB3 LEU 21 2HB LEU 21 -2.287 3.527 -0.000 175 HG LEU 21 HG LEU 21 -3.383 5.093 -2.347 176 HD11 LEU 21 1HD1 LEU 21 -1.781 3.484 -3.177 177 HD12 LEU 21 2HD1 LEU 21 -3.416 2.939 -3.546 178 HD13 LEU 21 3HD1 LEU 21 -2.519 2.202 -2.217 179 HD21 LEU 21 1HD2 LEU 21 -5.074 4.538 -0.699 180 HD22 LEU 21 2HD2 LEU 21 -4.558 2.851 -0.695 181 HD23 LEU 21 3HD2 LEU 21 -5.292 3.548 -2.139 182 H SER 22 H SER 22 -2.529 4.159 2.337 183 HA SER 22 HA SER 22 -5.288 3.658 2.637 184 HB2 SER 22 1HB SER 22 -3.466 2.169 3.475 185 HB3 SER 22 2HB SER 22 -3.112 3.357 4.729 186 HG SER 22 HG SER 22 -5.105 2.983 5.636 187 H ARG 23 H ARG 23 -3.157 6.084 4.045 188 HA ARG 23 HA ARG 23 -5.169 7.000 5.916 189 HB2 ARG 23 1HB ARG 23 -3.553 8.510 6.729 190 HB3 ARG 23 2HB ARG 23 -2.632 7.081 6.284 191 HG2 ARG 23 1HG ARG 23 -2.317 8.366 4.015 192 HG3 ARG 23 2HG ARG 23 -2.703 9.775 5.001 193 HD2 ARG 23 1HD ARG 23 -0.415 7.842 5.336 194 HD3 ARG 23 2HD ARG 23 -0.335 9.565 4.975 195 HE ARG 23 HE ARG 23 -1.626 9.180 7.453 196 HH11 ARG 23 1HH1 ARG 23 1.544 8.934 5.982 197 HH12 ARG 23 2HH1 ARG 23 2.390 9.206 7.473 198 HH21 ARG 23 1HH2 ARG 23 -0.534 9.531 9.400 199 HH22 ARG 23 2HH2 ARG 23 1.202 9.560 9.431 200 H ARG 24 H ARG 24 -4.108 7.713 2.700 201 HA ARG 24 HA ARG 24 -5.323 10.253 2.393 202 HB2 ARG 24 1HB ARG 24 -3.660 9.433 0.808 203 HB3 ARG 24 2HB ARG 24 -4.705 8.092 0.363 204 HG2 ARG 24 1HG ARG 24 -6.363 9.780 -0.481 205 HG3 ARG 24 2HG ARG 24 -5.137 11.019 -0.209 206 HD2 ARG 24 1HD ARG 24 -4.870 8.619 -2.023 207 HD3 ARG 24 2HD ARG 24 -5.150 10.282 -2.539 208 HE ARG 24 HE ARG 24 -2.890 10.552 -1.157 209 HH11 ARG 24 1HH1 ARG 24 -3.804 8.196 -3.581 210 HH12 ARG 24 2HH1 ARG 24 -2.187 7.981 -4.171 211 HH21 ARG 24 1HH2 ARG 24 -0.763 10.300 -1.947 212 HH22 ARG 24 2HH2 ARG 24 -0.454 9.205 -3.257 213 H THR 25 H THR 25 -6.437 6.946 1.700 214 HA THR 25 HA THR 25 -9.162 8.010 1.273 215 HB THR 25 HB THR 25 -8.012 5.389 0.273 216 HG1 THR 25 1HG THR 25 -8.305 7.951 -0.911 217 HG21 THR 25 1HG2 THR 25 -10.036 5.312 -1.129 218 HG22 THR 25 2HG2 THR 25 -10.625 6.788 -0.361 219 HG23 THR 25 3HG2 THR 25 -10.445 5.311 0.586 220 H GLY 26 H GLY 26 -10.484 7.677 2.929 221 HA2 GLY 26 1HA GLY 26 -10.022 5.852 5.052 222 HA3 GLY 26 2HA GLY 26 -11.517 6.725 4.745 223 H CYS 27 H CYS 27 -9.645 3.901 3.797 224 HA CYS 27 HA CYS 27 -12.060 2.326 3.467 225 HB2 CYS 27 2HB CYS 27 -10.339 3.213 1.194 226 HB3 CYS 27 1HB CYS 27 -10.899 1.538 1.170 227 H GLU 28 H GLU 28 -10.923 0.099 2.257 228 HA GLU 28 HA GLU 28 -8.849 -0.689 4.204 229 HB2 GLU 28 1HB GLU 28 -10.925 -1.917 4.538 230 HB3 GLU 28 2HB GLU 28 -10.991 -2.339 2.832 231 HG2 GLU 28 1HG GLU 28 -8.990 -3.705 3.070 232 HG3 GLU 28 2HG GLU 28 -8.869 -3.252 4.771 233 H VAL 29 H VAL 29 -6.922 -0.733 3.263 234 HA VAL 29 HA VAL 29 -6.721 -1.555 0.433 235 HB VAL 29 HB VAL 29 -4.912 0.380 1.907 236 HG11 VAL 29 1HG1 VAL 29 -3.750 -0.849 0.143 237 HG12 VAL 29 2HG1 VAL 29 -3.966 0.841 -0.314 238 HG13 VAL 29 3HG1 VAL 29 -5.005 -0.402 -1.012 239 HG21 VAL 29 1HG2 VAL 29 -7.049 0.933 -0.160 240 HG22 VAL 29 2HG2 VAL 29 -5.930 2.124 0.506 241 HG23 VAL 29 3HG2 VAL 29 -7.124 1.354 1.552 242 H GLU 30 H GLU 30 -5.566 -3.313 0.057 243 HA GLU 30 HA GLU 30 -3.563 -4.190 2.045 244 HB2 GLU 30 1HB GLU 30 -5.518 -5.734 1.714 245 HB3 GLU 30 2HB GLU 30 -5.049 -5.899 0.028 246 HG2 GLU 30 1HG GLU 30 -2.885 -6.841 0.744 247 HG3 GLU 30 2HG GLU 30 -3.411 -6.724 2.423 248 H VAL 31 H VAL 31 -1.497 -4.107 1.364 249 HA VAL 31 HA VAL 31 -1.017 -3.833 -1.541 250 HB VAL 31 HB VAL 31 0.597 -2.597 0.709 251 HG11 VAL 31 1HG1 VAL 31 1.981 -3.125 -1.229 252 HG12 VAL 31 2HG1 VAL 31 1.764 -1.379 -1.090 253 HG13 VAL 31 3HG1 VAL 31 0.846 -2.291 -2.293 254 HG21 VAL 31 1HG2 VAL 31 -1.588 -1.522 0.481 255 HG22 VAL 31 2HG2 VAL 31 -1.308 -1.293 -1.248 256 HG23 VAL 31 3HG2 VAL 31 -0.300 -0.447 -0.071 257 H GLU 32 H GLU 32 0.404 -5.168 -2.462 258 HA GLU 32 HA GLU 32 2.034 -6.937 -0.749 259 HB2 GLU 32 1HB GLU 32 0.912 -7.389 -3.533 260 HB3 GLU 32 2HB GLU 32 2.015 -8.489 -2.720 261 HG2 GLU 32 1HG GLU 32 0.378 -8.909 -0.989 262 HG3 GLU 32 2HG GLU 32 -0.722 -7.733 -1.710 263 H CYS 33 H CYS 33 4.149 -7.536 -1.686 264 HA CYS 33 HA CYS 33 5.269 -5.288 -3.227 265 HB2 CYS 33 2HB CYS 33 6.505 -6.611 -0.802 266 HB3 CYS 33 1HB CYS 33 7.225 -5.310 -1.745 267 H GLU 34 H GLU 34 6.646 -5.765 -4.795 268 HA GLU 34 HA GLU 34 8.103 -8.319 -4.736 269 HB2 GLU 34 1HB GLU 34 6.840 -7.051 -7.188 270 HB3 GLU 34 2HB GLU 34 7.948 -8.418 -7.225 271 HG2 GLU 34 1HG GLU 34 6.309 -9.700 -5.854 272 HG3 GLU 34 2HG GLU 34 5.188 -8.349 -6.016 273 H THR 35 H THR 35 9.897 -8.028 -6.649 274 HA THR 35 HA THR 35 11.221 -5.481 -5.987 275 HB THR 35 HB THR 35 13.347 -6.782 -6.610 276 HG1 THR 35 1HG THR 35 12.246 -8.559 -7.610 277 HG21 THR 35 1HG2 THR 35 12.761 -6.225 -4.286 278 HG22 THR 35 2HG2 THR 35 13.506 -7.821 -4.386 279 HG23 THR 35 3HG2 THR 35 11.760 -7.677 -4.191
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