NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504873 | 2ena | 10171 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 18.436 -13.804 -3.305 2 HA2 GLY 1 1HA GLY 1 16.649 -12.672 -4.344 3 HA3 GLY 1 2HA GLY 1 15.799 -14.202 -4.500 4 H SER 2 H SER 2 15.962 -15.074 -1.834 5 HA SER 2 HA SER 2 14.645 -14.996 0.029 6 HB2 SER 2 1HB SER 2 15.902 -12.266 -0.080 7 HB3 SER 2 2HB SER 2 14.795 -12.694 1.225 8 HG SER 2 HG SER 2 16.830 -14.501 0.641 9 H SER 3 H SER 3 13.170 -14.724 -2.308 10 HA SER 3 HA SER 3 11.352 -12.510 -2.096 11 HB2 SER 3 1HB SER 3 11.882 -13.565 -4.272 12 HB3 SER 3 2HB SER 3 11.109 -15.052 -3.725 13 HG SER 3 HG SER 3 9.153 -14.020 -3.697 14 H GLY 4 H GLY 4 9.246 -12.509 -1.361 15 HA2 GLY 4 1HA GLY 4 8.211 -14.969 -0.146 16 HA3 GLY 4 2HA GLY 4 8.413 -13.561 0.885 17 H SER 5 H SER 5 6.781 -14.721 -2.034 18 HA SER 5 HA SER 5 4.547 -12.921 -1.386 19 HB2 SER 5 1HB SER 5 6.048 -12.231 -3.401 20 HB3 SER 5 2HB SER 5 5.238 -13.553 -4.241 21 HG SER 5 HG SER 5 3.902 -11.419 -2.931 22 H SER 6 H SER 6 2.471 -13.624 -2.255 23 HA SER 6 HA SER 6 2.151 -16.250 -3.324 24 HB2 SER 6 1HB SER 6 0.902 -17.166 -1.343 25 HB3 SER 6 2HB SER 6 2.636 -16.982 -1.083 26 HG SER 6 HG SER 6 1.160 -16.181 0.621 27 H GLY 7 H GLY 7 0.052 -16.645 -4.028 28 HA2 GLY 7 1HA GLY 7 -1.922 -15.912 -4.981 29 HA3 GLY 7 2HA GLY 7 -2.317 -15.541 -3.309 30 H THR 8 H THR 8 -3.522 -13.722 -3.744 31 HA THR 8 HA THR 8 -1.960 -11.376 -4.555 32 HB THR 8 HB THR 8 -3.940 -10.513 -5.823 33 HG1 THR 8 HG1 THR 8 -5.651 -11.795 -6.168 34 HG21 THR 8 3HG2 THR 8 -2.196 -12.739 -6.631 35 HG22 THR 8 1HG2 THR 8 -2.472 -11.177 -7.402 36 HG23 THR 8 2HG2 THR 8 -3.615 -12.497 -7.650 37 H ALA 9 H ALA 9 -3.051 -9.317 -3.964 38 HA ALA 9 HA ALA 9 -3.878 -9.378 -1.256 39 HB1 ALA 9 3HB ALA 9 -4.545 -6.873 -2.070 40 HB2 ALA 9 1HB ALA 9 -2.927 -7.370 -1.573 41 HB3 ALA 9 2HB ALA 9 -3.350 -7.327 -3.285 42 H GLU 10 H GLU 10 -5.806 -10.000 -0.552 43 HA GLU 10 HA GLU 10 -8.051 -10.617 -1.897 44 HB2 GLU 10 1HB GLU 10 -9.259 -9.633 0.269 45 HB3 GLU 10 2HB GLU 10 -8.315 -11.115 0.309 46 HG2 GLU 10 1HG GLU 10 -6.436 -9.988 1.235 47 HG3 GLU 10 2HG GLU 10 -7.186 -8.413 0.983 48 H LYS 11 H LYS 11 -6.873 -7.416 -1.306 49 HA LYS 11 HA LYS 11 -9.368 -6.183 -2.184 50 HB2 LYS 11 1HB LYS 11 -6.763 -4.888 -1.359 51 HB3 LYS 11 2HB LYS 11 -8.289 -4.061 -1.641 52 HG2 LYS 11 1HG LYS 11 -7.492 -5.833 0.627 53 HG3 LYS 11 2HG LYS 11 -8.200 -4.216 0.661 54 HD2 LYS 11 1HD LYS 11 -9.625 -6.723 -0.230 55 HD3 LYS 11 2HD LYS 11 -9.798 -5.963 1.353 56 HE2 LYS 11 1HE LYS 11 -10.403 -3.846 -0.039 57 HE3 LYS 11 2HE LYS 11 -10.723 -5.007 -1.325 58 HZ1 LYS 11 3HZ LYS 11 -12.321 -6.109 0.069 59 HZ2 LYS 11 1HZ LYS 11 -12.707 -4.464 -0.012 60 HZ3 LYS 11 2HZ LYS 11 -11.963 -5.091 1.372 61 HA PRO 12 HA PRO 12 -8.157 -5.636 -6.370 62 HB2 PRO 12 1HB PRO 12 -9.407 -3.299 -6.957 63 HB3 PRO 12 2HB PRO 12 -10.274 -4.824 -6.744 64 HG2 PRO 12 1HG PRO 12 -9.895 -2.574 -4.806 65 HG3 PRO 12 2HG PRO 12 -11.356 -3.518 -5.153 66 HD2 PRO 12 1HD PRO 12 -9.794 -3.991 -2.992 67 HD3 PRO 12 2HD PRO 12 -10.684 -5.280 -3.828 68 H PHE 13 H PHE 13 -7.613 -2.993 -4.115 69 HA PHE 13 HA PHE 13 -5.625 -1.801 -5.896 70 HB2 PHE 13 1HB PHE 13 -6.493 -0.798 -3.183 71 HB3 PHE 13 2HB PHE 13 -5.647 0.099 -4.439 72 HD1 PHE 13 HD1 PHE 13 -6.834 0.858 -6.437 73 HD2 PHE 13 HD2 PHE 13 -8.860 -1.117 -3.257 74 HE1 PHE 13 HE1 PHE 13 -8.989 1.650 -7.323 75 HE2 PHE 13 HE2 PHE 13 -11.018 -0.329 -4.138 76 HZ PHE 13 HZ PHE 13 -11.084 1.056 -6.174 77 H ARG 14 H ARG 14 -3.462 -1.683 -5.428 78 HA ARG 14 HA ARG 14 -2.440 -2.667 -2.907 79 HB2 ARG 14 1HB ARG 14 -2.831 -4.712 -4.313 80 HB3 ARG 14 2HB ARG 14 -1.660 -4.077 -5.461 81 HG2 ARG 14 1HG ARG 14 -0.028 -4.015 -3.502 82 HG3 ARG 14 2HG ARG 14 -1.201 -5.029 -2.657 83 HD2 ARG 14 1HD ARG 14 0.511 -6.392 -3.720 84 HD3 ARG 14 2HD ARG 14 -1.065 -6.681 -4.456 85 HE ARG 14 HE ARG 14 0.548 -4.706 -5.806 86 HH11 ARG 14 1HH1 ARG 14 -0.286 -8.076 -5.547 87 HH12 ARG 14 2HH1 ARG 14 0.222 -8.460 -7.159 88 HH21 ARG 14 1HH2 ARG 14 1.220 -5.199 -7.930 89 HH22 ARG 14 2HH2 ARG 14 1.079 -6.823 -8.513 90 H CYS 15 H CYS 15 -0.460 -1.843 -2.425 91 HA CYS 15 HA CYS 15 0.609 0.127 -4.282 92 HB2 CYS 15 1HB CYS 15 0.270 0.804 -1.960 93 HB3 CYS 15 2HB CYS 15 1.327 -0.492 -1.409 94 H ASP 16 H ASP 16 2.100 -0.474 -5.696 95 HA ASP 16 HA ASP 16 3.700 -2.840 -5.283 96 HB2 ASP 16 1HB ASP 16 2.759 -2.203 -7.512 97 HB3 ASP 16 2HB ASP 16 3.857 -0.826 -7.532 98 H THR 17 H THR 17 4.215 -0.934 -3.320 99 HA THR 17 HA THR 17 7.014 -0.273 -3.929 100 HB THR 17 HB THR 17 5.256 1.517 -2.253 101 HG1 THR 17 HG1 THR 17 4.949 2.767 -4.051 102 HG21 THR 17 3HG2 THR 17 7.107 3.149 -2.814 103 HG22 THR 17 1HG2 THR 17 8.014 1.774 -3.441 104 HG23 THR 17 2HG2 THR 17 7.555 1.825 -1.739 105 H CYS 18 H CYS 18 4.637 -0.466 -1.277 106 HA CYS 18 HA CYS 18 6.748 -1.662 0.398 107 HB2 CYS 18 1HB CYS 18 5.487 -0.815 2.348 108 HB3 CYS 18 2HB CYS 18 6.014 0.484 1.283 109 H ASP 19 H ASP 19 4.384 -2.635 -1.468 110 HA ASP 19 HA ASP 19 3.083 -4.497 -1.592 111 HB2 ASP 19 1HB ASP 19 5.099 -5.620 -0.693 112 HB3 ASP 19 2HB ASP 19 4.517 -5.320 0.943 113 H LYS 20 H LYS 20 1.735 -2.408 -0.699 114 HA LYS 20 HA LYS 20 0.215 -3.360 1.638 115 HB2 LYS 20 1HB LYS 20 0.968 -0.654 0.675 116 HB3 LYS 20 2HB LYS 20 -0.628 -0.822 1.395 117 HG2 LYS 20 1HG LYS 20 0.579 -1.953 3.349 118 HG3 LYS 20 2HG LYS 20 2.053 -1.274 2.653 119 HD2 LYS 20 1HD LYS 20 0.679 0.949 2.649 120 HD3 LYS 20 2HD LYS 20 -0.295 0.122 3.866 121 HE2 LYS 20 1HE LYS 20 1.868 -0.346 5.089 122 HE3 LYS 20 2HE LYS 20 2.642 0.772 3.968 123 HZ1 LYS 20 3HZ LYS 20 1.548 2.562 4.854 124 HZ2 LYS 20 1HZ LYS 20 1.741 1.610 6.239 125 HZ3 LYS 20 2HZ LYS 20 0.253 1.643 5.437 126 H SER 21 H SER 21 -2.139 -2.385 1.531 127 HA SER 21 HA SER 21 -3.277 -2.362 -1.127 128 HB2 SER 21 1HB SER 21 -4.896 -4.244 -0.472 129 HB3 SER 21 2HB SER 21 -3.257 -4.717 -0.917 130 HG SER 21 HG SER 21 -3.354 -4.200 1.708 131 H PHE 22 H PHE 22 -5.351 -1.503 -1.196 132 HA PHE 22 HA PHE 22 -6.514 -0.665 1.370 133 HB2 PHE 22 1HB PHE 22 -6.189 1.091 -1.073 134 HB3 PHE 22 2HB PHE 22 -7.032 1.542 0.405 135 HD1 PHE 22 HD2 PHE 22 -3.702 0.245 -0.670 136 HD2 PHE 22 HD1 PHE 22 -5.888 2.798 1.942 137 HE1 PHE 22 HE2 PHE 22 -1.590 1.083 0.273 138 HE2 PHE 22 HE1 PHE 22 -3.779 3.641 2.889 139 HZ PHE 22 HZ PHE 22 -1.626 2.782 2.055 140 H ARG 23 H ARG 23 -8.802 0.057 1.142 141 HA ARG 23 HA ARG 23 -10.200 -1.776 -0.645 142 HB2 ARG 23 1HB ARG 23 -11.319 -0.044 1.566 143 HB3 ARG 23 2HB ARG 23 -12.156 -1.343 0.727 144 HG2 ARG 23 1HG ARG 23 -10.141 -2.776 1.624 145 HG3 ARG 23 2HG ARG 23 -10.052 -1.480 2.818 146 HD2 ARG 23 1HD ARG 23 -12.657 -2.822 2.202 147 HD3 ARG 23 2HD ARG 23 -11.509 -3.556 3.321 148 HE ARG 23 HE ARG 23 -13.113 -1.193 3.765 149 HH11 ARG 23 1HH1 ARG 23 -10.351 -3.061 4.764 150 HH12 ARG 23 2HH1 ARG 23 -10.316 -2.397 6.363 151 HH21 ARG 23 1HH2 ARG 23 -13.078 -0.311 5.868 152 HH22 ARG 23 2HH2 ARG 23 -11.868 -0.833 6.991 153 H GLN 24 H GLN 24 -9.879 1.663 0.011 154 HA GLN 24 HA GLN 24 -11.697 2.254 -2.219 155 HB2 GLN 24 1HB GLN 24 -10.578 4.252 -0.261 156 HB3 GLN 24 2HB GLN 24 -11.973 4.432 -1.317 157 HG2 GLN 24 1HG GLN 24 -11.955 2.320 0.793 158 HG3 GLN 24 2HG GLN 24 -12.315 3.995 1.212 159 HE21 GLN 24 1HE2 GLN 24 -14.121 1.886 1.522 160 HE22 GLN 24 2HE2 GLN 24 -15.453 2.143 0.452 161 H ARG 25 H ARG 25 -10.988 3.181 -4.054 162 HA ARG 25 HA ARG 25 -8.299 3.098 -4.771 163 HB2 ARG 25 1HB ARG 25 -10.318 3.163 -6.306 164 HB3 ARG 25 2HB ARG 25 -10.354 4.902 -6.045 165 HG2 ARG 25 1HG ARG 25 -8.179 5.150 -7.036 166 HG3 ARG 25 2HG ARG 25 -8.002 3.400 -7.170 167 HD2 ARG 25 1HD ARG 25 -9.749 3.271 -8.786 168 HD3 ARG 25 2HD ARG 25 -10.204 4.952 -8.513 169 HE ARG 25 HE ARG 25 -7.546 4.919 -9.345 170 HH11 ARG 25 1HH1 ARG 25 -10.696 4.133 -10.602 171 HH12 ARG 25 2HH1 ARG 25 -10.271 4.481 -12.245 172 HH21 ARG 25 1HH2 ARG 25 -6.974 5.381 -11.504 173 HH22 ARG 25 2HH2 ARG 25 -8.153 5.190 -12.757 174 H SER 26 H SER 26 -10.214 5.695 -3.399 175 HA SER 26 HA SER 26 -8.294 7.754 -3.838 176 HB2 SER 26 1HB SER 26 -10.618 8.343 -3.492 177 HB3 SER 26 2HB SER 26 -10.619 7.570 -1.907 178 HG SER 26 HG SER 26 -8.927 9.142 -1.363 179 H ALA 27 H ALA 27 -8.512 5.185 -1.617 180 HA ALA 27 HA ALA 27 -6.963 6.455 0.469 181 HB1 ALA 27 3HB ALA 27 -7.548 4.712 1.762 182 HB2 ALA 27 1HB ALA 27 -8.734 4.407 0.493 183 HB3 ALA 27 2HB ALA 27 -7.205 3.528 0.501 184 H LEU 28 H LEU 28 -6.430 4.204 -2.182 185 HA LEU 28 HA LEU 28 -3.672 3.742 -1.426 186 HB2 LEU 28 1HB LEU 28 -4.568 1.850 -2.382 187 HB3 LEU 28 2HB LEU 28 -5.494 2.762 -3.572 188 HG LEU 28 HG LEU 28 -3.033 3.304 -4.460 189 HD11 LEU 28 1HD1 LEU 28 -1.710 2.124 -2.952 190 HD12 LEU 28 2HD1 LEU 28 -1.818 1.044 -4.341 191 HD13 LEU 28 3HD1 LEU 28 -2.810 0.746 -2.914 192 HD21 LEU 28 3HD2 LEU 28 -3.677 2.098 -6.240 193 HD22 LEU 28 1HD2 LEU 28 -5.173 1.872 -5.332 194 HD23 LEU 28 2HD2 LEU 28 -3.918 0.633 -5.288 195 H ASN 29 H ASN 29 -5.417 5.347 -4.074 196 HA ASN 29 HA ASN 29 -3.285 6.206 -5.596 197 HB2 ASN 29 1HB ASN 29 -6.038 7.237 -5.106 198 HB3 ASN 29 2HB ASN 29 -4.906 8.297 -5.941 199 HD21 ASN 29 1HD2 ASN 29 -7.005 7.653 -7.350 200 HD22 ASN 29 2HD2 ASN 29 -6.654 6.456 -8.545 201 H SER 30 H SER 30 -4.361 7.354 -2.503 202 HA SER 30 HA SER 30 -2.712 9.747 -2.637 203 HB2 SER 30 1HB SER 30 -4.764 8.679 -0.758 204 HB3 SER 30 2HB SER 30 -3.554 9.784 -0.107 205 HG SER 30 HG SER 30 -5.684 10.296 -1.727 206 H HIS 31 H HIS 31 -2.783 6.627 -0.996 207 HA HIS 31 HA HIS 31 -0.641 7.047 0.764 208 HB2 HIS 31 1HB HIS 31 -1.984 5.150 1.173 209 HB3 HIS 31 2HB HIS 31 -1.811 4.567 -0.480 210 HD1 HIS 31 HD1 HIS 31 0.015 4.730 2.794 211 HD2 HIS 31 HD2 HIS 31 0.448 3.024 -0.970 212 HE1 HIS 31 HE1 HIS 31 1.915 3.097 3.011 213 H ARG 32 H ARG 32 -0.729 5.967 -2.591 214 HA ARG 32 HA ARG 32 1.949 5.182 -2.838 215 HB2 ARG 32 1HB ARG 32 0.138 6.378 -4.944 216 HB3 ARG 32 2HB ARG 32 1.628 5.499 -5.256 217 HG2 ARG 32 1HG ARG 32 0.386 3.634 -3.844 218 HG3 ARG 32 2HG ARG 32 -1.035 4.494 -4.438 219 HD2 ARG 32 1HD ARG 32 -0.434 2.676 -5.941 220 HD3 ARG 32 2HD ARG 32 -0.230 4.237 -6.733 221 HE ARG 32 HE ARG 32 2.237 3.756 -5.798 222 HH11 ARG 32 1HH1 ARG 32 0.003 1.785 -7.599 223 HH12 ARG 32 2HH1 ARG 32 1.245 0.889 -8.410 224 HH21 ARG 32 1HH2 ARG 32 3.881 2.583 -6.859 225 HH22 ARG 32 2HH2 ARG 32 3.451 1.343 -7.987 226 H MET 33 H MET 33 0.485 8.315 -2.702 227 HA MET 33 HA MET 33 2.488 9.828 -3.974 228 HB2 MET 33 1HB MET 33 0.638 10.645 -1.727 229 HB3 MET 33 2HB MET 33 1.547 11.745 -2.754 230 HG2 MET 33 1HG MET 33 0.269 10.491 -4.673 231 HG3 MET 33 2HG MET 33 -0.862 10.122 -3.373 232 HE1 MET 33 3HE MET 33 -2.259 11.639 -2.159 233 HE2 MET 33 1HE MET 33 -2.846 13.160 -2.832 234 HE3 MET 33 2HE MET 33 -3.074 11.655 -3.724 235 H ILE 34 H ILE 34 2.063 8.849 -0.596 236 HA ILE 34 HA ILE 34 4.111 10.278 0.585 237 HB ILE 34 HB ILE 34 3.962 8.862 2.402 238 HG12 ILE 34 1HG1 ILE 34 3.559 6.687 0.370 239 HG13 ILE 34 2HG1 ILE 34 4.786 6.814 1.626 240 HG21 ILE 34 1HG2 ILE 34 1.723 9.751 1.596 241 HG22 ILE 34 2HG2 ILE 34 1.398 8.115 1.025 242 HG23 ILE 34 3HG2 ILE 34 1.676 8.411 2.741 243 HD11 ILE 34 3HD1 ILE 34 1.864 6.343 2.155 244 HD12 ILE 34 1HD1 ILE 34 3.081 5.072 2.047 245 HD13 ILE 34 2HD1 ILE 34 3.185 6.286 3.322 246 H HIS 35 H HIS 35 4.288 7.531 -1.526 247 HA HIS 35 HA HIS 35 7.057 6.963 -0.895 248 HB2 HIS 35 1HB HIS 35 5.254 5.859 -3.059 249 HB3 HIS 35 2HB HIS 35 6.873 5.272 -2.692 250 HD1 HIS 35 HD1 HIS 35 6.802 5.000 0.308 251 HD2 HIS 35 HD2 HIS 35 3.617 3.917 -2.131 252 HE1 HIS 35 HE1 HIS 35 5.469 3.336 1.642 253 H THR 36 H THR 36 5.287 8.948 -3.064 254 HA THR 36 HA THR 36 7.443 9.207 -4.983 255 HB THR 36 HB THR 36 6.018 10.747 -6.168 256 HG1 THR 36 HG1 THR 36 3.842 11.102 -5.103 257 HG21 THR 36 3HG2 THR 36 5.524 8.285 -6.275 258 HG22 THR 36 1HG2 THR 36 4.162 9.330 -6.676 259 HG23 THR 36 2HG2 THR 36 4.244 8.558 -5.093 260 H GLY 37 H GLY 37 8.335 9.857 -2.448 261 HA2 GLY 37 1HA GLY 37 8.924 12.712 -2.814 262 HA3 GLY 37 2HA GLY 37 8.348 12.162 -1.247 263 H GLU 38 H GLU 38 9.645 10.382 -0.231 264 HA GLU 38 HA GLU 38 12.275 11.171 0.148 265 HB2 GLU 38 1HB GLU 38 10.770 8.655 0.747 266 HB3 GLU 38 2HB GLU 38 12.508 8.697 1.002 267 HG2 GLU 38 1HG GLU 38 10.815 10.858 2.154 268 HG3 GLU 38 2HG GLU 38 10.861 9.280 2.937 269 H LYS 39 H LYS 39 14.140 9.436 -0.107 270 HA LYS 39 HA LYS 39 14.199 8.695 -2.958 271 HB2 LYS 39 1HB LYS 39 16.692 8.935 -2.743 272 HB3 LYS 39 2HB LYS 39 15.788 10.434 -2.572 273 HG2 LYS 39 1HG LYS 39 16.097 10.458 -0.224 274 HG3 LYS 39 2HG LYS 39 16.719 8.806 -0.223 275 HD2 LYS 39 1HD LYS 39 18.061 11.116 -1.623 276 HD3 LYS 39 2HD LYS 39 18.472 10.575 0.007 277 HE2 LYS 39 1HE LYS 39 20.018 9.400 -1.198 278 HE3 LYS 39 2HE LYS 39 18.691 8.239 -1.198 279 HZ1 LYS 39 3HZ LYS 39 18.247 9.857 -3.375 280 HZ2 LYS 39 1HZ LYS 39 18.828 8.268 -3.397 281 HZ3 LYS 39 2HZ LYS 39 19.913 9.565 -3.393 282 HA PRO 40 HA PRO 40 14.551 4.805 -0.401 283 HB2 PRO 40 1HB PRO 40 12.657 3.428 -1.775 284 HB3 PRO 40 2HB PRO 40 12.278 4.465 -0.395 285 HG2 PRO 40 1HG PRO 40 12.051 5.049 -3.322 286 HG3 PRO 40 2HG PRO 40 10.917 5.431 -2.014 287 HD2 PRO 40 1HD PRO 40 12.618 7.266 -3.048 288 HD3 PRO 40 2HD PRO 40 12.114 7.284 -1.346 289 H SER 41 H SER 41 14.992 2.573 -1.249 290 HA SER 41 HA SER 41 16.868 2.750 -3.422 291 HB2 SER 41 1HB SER 41 16.002 0.480 -1.628 292 HB3 SER 41 2HB SER 41 17.177 0.275 -2.926 293 HG SER 41 HG SER 41 18.614 1.434 -1.839 294 H GLY 42 H GLY 42 15.379 3.298 -5.132 295 HA2 GLY 42 1HA GLY 42 14.847 1.481 -7.003 296 HA3 GLY 42 2HA GLY 42 13.467 1.252 -5.939 297 HA PRO 43 HA PRO 43 13.235 5.693 -7.925 298 HB2 PRO 43 1HB PRO 43 14.568 5.923 -10.278 299 HB3 PRO 43 2HB PRO 43 15.295 6.329 -8.719 300 HG2 PRO 43 1HG PRO 43 15.582 3.835 -10.350 301 HG3 PRO 43 2HG PRO 43 16.825 4.753 -9.481 302 HD2 PRO 43 1HD PRO 43 15.726 2.487 -8.487 303 HD3 PRO 43 2HD PRO 43 16.273 3.818 -7.448 304 H SER 44 H SER 44 11.604 6.256 -9.331 305 HA SER 44 HA SER 44 10.835 4.304 -11.387 306 HB2 SER 44 1HB SER 44 8.427 4.671 -10.692 307 HB3 SER 44 2HB SER 44 9.404 3.745 -9.553 308 HG SER 44 HG SER 44 8.608 5.184 -8.213 309 H SER 45 H SER 45 8.725 5.375 -12.523 310 HA SER 45 HA SER 45 8.020 6.963 -13.990 311 HB2 SER 45 1HB SER 45 7.646 8.251 -11.895 312 HB3 SER 45 2HB SER 45 9.273 8.916 -12.045 313 HG SER 45 HG SER 45 8.644 10.139 -13.687 314 H GLY 46 H GLY 46 10.390 5.725 -14.651 315 HA2 GLY 46 1HA GLY 46 11.644 7.820 -16.255 316 HA3 GLY 46 2HA GLY 46 12.695 6.912 -15.177 Start of MODEL 2 1 H1 GLY 1 H GLY 1 9.387 -7.986 -12.493 2 HA2 GLY 1 1HA GLY 1 7.519 -8.450 -11.012 3 HA3 GLY 1 2HA GLY 1 7.723 -9.834 -12.077 4 H SER 2 H SER 2 8.629 -11.743 -11.273 5 HA SER 2 HA SER 2 8.566 -13.370 -9.634 6 HB2 SER 2 1HB SER 2 10.936 -12.307 -9.775 7 HB3 SER 2 2HB SER 2 10.541 -11.612 -8.203 8 HG SER 2 HG SER 2 11.135 -14.210 -8.886 9 H SER 3 H SER 3 6.443 -11.623 -9.218 10 HA SER 3 HA SER 3 6.390 -11.375 -6.281 11 HB2 SER 3 1HB SER 3 4.679 -9.629 -6.577 12 HB3 SER 3 2HB SER 3 6.173 -9.205 -7.411 13 HG SER 3 HG SER 3 3.763 -10.183 -8.529 14 H GLY 4 H GLY 4 5.688 -13.504 -5.940 15 HA2 GLY 4 1HA GLY 4 3.406 -14.594 -7.269 16 HA3 GLY 4 2HA GLY 4 4.194 -15.256 -5.844 17 H SER 5 H SER 5 1.541 -15.475 -5.917 18 HA SER 5 HA SER 5 -0.469 -14.822 -5.011 19 HB2 SER 5 1HB SER 5 -0.289 -14.392 -2.571 20 HB3 SER 5 2HB SER 5 0.687 -15.768 -3.086 21 HG SER 5 HG SER 5 1.805 -13.186 -2.931 22 H SER 6 H SER 6 0.502 -12.804 -6.654 23 HA SER 6 HA SER 6 0.005 -10.328 -5.156 24 HB2 SER 6 1HB SER 6 0.918 -9.181 -7.164 25 HB3 SER 6 2HB SER 6 2.065 -10.315 -6.451 26 HG SER 6 HG SER 6 0.506 -10.630 -8.790 27 H GLY 7 H GLY 7 -0.998 -12.080 -8.075 28 HA2 GLY 7 1HA GLY 7 -2.987 -10.241 -8.879 29 HA3 GLY 7 2HA GLY 7 -2.893 -11.928 -9.362 30 H THR 8 H THR 8 -2.976 -12.754 -6.482 31 HA THR 8 HA THR 8 -5.884 -12.707 -6.246 32 HB THR 8 HB THR 8 -5.489 -14.420 -4.437 33 HG1 THR 8 HG1 THR 8 -3.210 -13.699 -4.165 34 HG21 THR 8 3HG2 THR 8 -6.105 -15.198 -6.607 35 HG22 THR 8 1HG2 THR 8 -4.772 -16.210 -6.054 36 HG23 THR 8 2HG2 THR 8 -4.478 -14.930 -7.232 37 H ALA 9 H ALA 9 -4.775 -10.255 -5.671 38 HA ALA 9 HA ALA 9 -4.271 -9.921 -2.878 39 HB1 ALA 9 3HB ALA 9 -4.317 -8.250 -5.244 40 HB2 ALA 9 1HB ALA 9 -5.036 -7.444 -3.850 41 HB3 ALA 9 2HB ALA 9 -3.391 -8.073 -3.754 42 H GLU 10 H GLU 10 -5.755 -10.102 -1.341 43 HA GLU 10 HA GLU 10 -8.402 -10.509 -1.500 44 HB2 GLU 10 1HB GLU 10 -8.457 -9.031 0.730 45 HB3 GLU 10 2HB GLU 10 -7.750 -10.640 0.675 46 HG2 GLU 10 1HG GLU 10 -6.014 -8.304 0.077 47 HG3 GLU 10 2HG GLU 10 -6.473 -8.615 1.750 48 H LYS 11 H LYS 11 -6.802 -7.479 -2.041 49 HA LYS 11 HA LYS 11 -9.419 -6.226 -2.559 50 HB2 LYS 11 1HB LYS 11 -6.914 -4.836 -1.592 51 HB3 LYS 11 2HB LYS 11 -8.470 -4.076 -1.902 52 HG2 LYS 11 1HG LYS 11 -7.834 -6.086 0.246 53 HG3 LYS 11 2HG LYS 11 -8.190 -4.370 0.460 54 HD2 LYS 11 1HD LYS 11 -10.045 -6.582 -0.374 55 HD3 LYS 11 2HD LYS 11 -10.190 -5.482 0.999 56 HE2 LYS 11 1HE LYS 11 -10.194 -3.684 -0.970 57 HE3 LYS 11 2HE LYS 11 -10.844 -5.059 -1.862 58 HZ1 LYS 11 3HZ LYS 11 -12.230 -3.356 -0.200 59 HZ2 LYS 11 1HZ LYS 11 -12.108 -4.806 0.665 60 HZ3 LYS 11 2HZ LYS 11 -12.798 -4.798 -0.879 61 HA PRO 12 HA PRO 12 -8.078 -5.473 -6.672 62 HB2 PRO 12 1HB PRO 12 -9.403 -3.169 -7.227 63 HB3 PRO 12 2HB PRO 12 -10.212 -4.736 -7.099 64 HG2 PRO 12 1HG PRO 12 -10.000 -2.543 -5.073 65 HG3 PRO 12 2HG PRO 12 -11.406 -3.532 -5.508 66 HD2 PRO 12 1HD PRO 12 -9.908 -4.018 -3.305 67 HD3 PRO 12 2HD PRO 12 -10.710 -5.312 -4.219 68 H PHE 13 H PHE 13 -7.506 -3.138 -4.180 69 HA PHE 13 HA PHE 13 -5.581 -1.712 -5.882 70 HB2 PHE 13 1HB PHE 13 -6.517 -0.849 -3.148 71 HB3 PHE 13 2HB PHE 13 -5.727 0.127 -4.382 72 HD1 PHE 13 HD1 PHE 13 -6.968 0.904 -6.335 73 HD2 PHE 13 HD2 PHE 13 -8.868 -1.292 -3.223 74 HE1 PHE 13 HE1 PHE 13 -9.167 1.619 -7.177 75 HE2 PHE 13 HE2 PHE 13 -11.069 -0.581 -4.060 76 HZ PHE 13 HZ PHE 13 -11.221 0.875 -6.040 77 H ARG 14 H ARG 14 -3.440 -1.686 -5.419 78 HA ARG 14 HA ARG 14 -2.466 -2.706 -2.882 79 HB2 ARG 14 1HB ARG 14 -2.829 -4.658 -4.530 80 HB3 ARG 14 2HB ARG 14 -1.447 -4.001 -5.397 81 HG2 ARG 14 1HG ARG 14 -0.178 -4.161 -3.209 82 HG3 ARG 14 2HG ARG 14 -1.531 -5.129 -2.619 83 HD2 ARG 14 1HD ARG 14 -1.043 -6.894 -3.982 84 HD3 ARG 14 2HD ARG 14 -0.326 -5.873 -5.228 85 HE ARG 14 HE ARG 14 1.227 -5.922 -2.831 86 HH11 ARG 14 1HH1 ARG 14 0.514 -7.656 -5.764 87 HH12 ARG 14 2HH1 ARG 14 2.044 -8.468 -5.810 88 HH21 ARG 14 1HH2 ARG 14 3.245 -6.985 -2.880 89 HH22 ARG 14 2HH2 ARG 14 3.597 -8.086 -4.169 90 H CYS 15 H CYS 15 -0.485 -1.908 -2.336 91 HA CYS 15 HA CYS 15 0.602 0.141 -4.102 92 HB2 CYS 15 1HB CYS 15 0.180 0.736 -1.762 93 HB3 CYS 15 2HB CYS 15 1.263 -0.547 -1.230 94 H ASP 16 H ASP 16 2.033 -0.549 -5.553 95 HA ASP 16 HA ASP 16 3.710 -2.842 -5.075 96 HB2 ASP 16 1HB ASP 16 3.152 -1.031 -7.368 97 HB3 ASP 16 2HB ASP 16 4.701 -1.870 -7.363 98 H THR 17 H THR 17 4.219 -0.938 -3.150 99 HA THR 17 HA THR 17 6.981 -0.184 -3.814 100 HB THR 17 HB THR 17 5.148 1.572 -2.176 101 HG1 THR 17 HG1 THR 17 4.390 2.030 -4.122 102 HG21 THR 17 3HG2 THR 17 7.463 2.802 -3.407 103 HG22 THR 17 1HG2 THR 17 7.924 1.466 -2.353 104 HG23 THR 17 2HG2 THR 17 6.959 2.799 -1.718 105 H CYS 18 H CYS 18 4.625 -0.508 -1.161 106 HA CYS 18 HA CYS 18 6.800 -1.593 0.507 107 HB2 CYS 18 1HB CYS 18 5.608 -0.733 2.468 108 HB3 CYS 18 2HB CYS 18 5.994 0.569 1.347 109 H ASP 19 H ASP 19 4.494 -2.682 -1.324 110 HA ASP 19 HA ASP 19 3.226 -4.569 -1.406 111 HB2 ASP 19 1HB ASP 19 5.025 -5.160 0.923 112 HB3 ASP 19 2HB ASP 19 3.725 -6.273 0.506 113 H LYS 20 H LYS 20 1.782 -2.545 -0.601 114 HA LYS 20 HA LYS 20 0.276 -3.508 1.743 115 HB2 LYS 20 1HB LYS 20 1.032 -0.778 0.850 116 HB3 LYS 20 2HB LYS 20 -0.568 -0.969 1.555 117 HG2 LYS 20 1HG LYS 20 0.646 -2.152 3.483 118 HG3 LYS 20 2HG LYS 20 2.108 -1.422 2.817 119 HD2 LYS 20 1HD LYS 20 1.235 0.779 3.120 120 HD3 LYS 20 2HD LYS 20 -0.363 0.150 3.528 121 HE2 LYS 20 1HE LYS 20 2.132 -0.354 5.143 122 HE3 LYS 20 2HE LYS 20 0.962 0.917 5.493 123 HZ1 LYS 20 3HZ LYS 20 0.800 -1.922 5.988 124 HZ2 LYS 20 1HZ LYS 20 -0.604 -1.258 5.316 125 HZ3 LYS 20 2HZ LYS 20 0.014 -0.640 6.764 126 H SER 21 H SER 21 -2.077 -2.516 1.625 127 HA SER 21 HA SER 21 -3.177 -2.449 -1.048 128 HB2 SER 21 1HB SER 21 -4.830 -4.331 -0.383 129 HB3 SER 21 2HB SER 21 -3.213 -4.791 -0.915 130 HG SER 21 HG SER 21 -4.377 -4.956 1.602 131 H PHE 22 H PHE 22 -5.253 -1.588 -1.133 132 HA PHE 22 HA PHE 22 -6.429 -0.759 1.432 133 HB2 PHE 22 1HB PHE 22 -6.148 0.995 -1.018 134 HB3 PHE 22 2HB PHE 22 -6.940 1.445 0.489 135 HD1 PHE 22 HD2 PHE 22 -3.652 0.132 -0.691 136 HD2 PHE 22 HD1 PHE 22 -5.741 2.705 1.979 137 HE1 PHE 22 HE2 PHE 22 -1.506 0.964 0.180 138 HE2 PHE 22 HE1 PHE 22 -3.599 3.541 2.855 139 HZ PHE 22 HZ PHE 22 -1.478 2.670 1.956 140 H ARG 23 H ARG 23 -8.714 0.167 1.026 141 HA ARG 23 HA ARG 23 -10.098 -1.707 -0.765 142 HB2 ARG 23 1HB ARG 23 -11.163 -0.183 1.620 143 HB3 ARG 23 2HB ARG 23 -12.070 -1.337 0.651 144 HG2 ARG 23 1HG ARG 23 -10.096 -2.943 1.324 145 HG3 ARG 23 2HG ARG 23 -9.942 -1.807 2.666 146 HD2 ARG 23 1HD ARG 23 -12.650 -2.832 1.994 147 HD3 ARG 23 2HD ARG 23 -11.525 -3.924 2.800 148 HE ARG 23 HE ARG 23 -11.395 -1.694 4.316 149 HH11 ARG 23 1HH1 ARG 23 -14.045 -3.625 3.147 150 HH12 ARG 23 2HH1 ARG 23 -15.066 -3.280 4.503 151 HH21 ARG 23 1HH2 ARG 23 -12.730 -1.232 6.107 152 HH22 ARG 23 2HH2 ARG 23 -14.317 -1.917 6.186 153 H GLN 24 H GLN 24 -9.846 1.682 0.141 154 HA GLN 24 HA GLN 24 -11.757 2.416 -1.952 155 HB2 GLN 24 1HB GLN 24 -10.414 4.303 -0.027 156 HB3 GLN 24 2HB GLN 24 -11.896 4.553 -0.939 157 HG2 GLN 24 1HG GLN 24 -11.783 2.329 1.033 158 HG3 GLN 24 2HG GLN 24 -11.952 3.984 1.616 159 HE21 GLN 24 1HE2 GLN 24 -13.403 1.483 -0.356 160 HE22 GLN 24 2HE2 GLN 24 -15.006 2.125 -0.331 161 H ARG 25 H ARG 25 -11.143 3.265 -3.839 162 HA ARG 25 HA ARG 25 -8.530 3.185 -4.755 163 HB2 ARG 25 1HB ARG 25 -10.563 3.282 -6.188 164 HB3 ARG 25 2HB ARG 25 -10.727 4.986 -5.786 165 HG2 ARG 25 1HG ARG 25 -8.674 5.514 -6.891 166 HG3 ARG 25 2HG ARG 25 -8.315 3.804 -7.139 167 HD2 ARG 25 1HD ARG 25 -10.040 3.562 -8.718 168 HD3 ARG 25 2HD ARG 25 -10.794 5.085 -8.248 169 HE ARG 25 HE ARG 25 -8.620 4.722 -10.093 170 HH11 ARG 25 1HH1 ARG 25 -10.201 6.943 -7.928 171 HH12 ARG 25 2HH1 ARG 25 -9.613 8.357 -8.740 172 HH21 ARG 25 1HH2 ARG 25 -7.840 6.575 -11.171 173 HH22 ARG 25 2HH2 ARG 25 -8.271 8.146 -10.585 174 H SER 26 H SER 26 -10.275 5.789 -3.182 175 HA SER 26 HA SER 26 -8.289 7.785 -3.702 176 HB2 SER 26 1HB SER 26 -10.400 7.844 -1.539 177 HB3 SER 26 2HB SER 26 -9.593 9.219 -2.292 178 HG SER 26 HG SER 26 -11.762 8.721 -3.083 179 H ALA 27 H ALA 27 -8.495 5.186 -1.559 180 HA ALA 27 HA ALA 27 -6.911 6.383 0.550 181 HB1 ALA 27 3HB ALA 27 -8.692 4.635 0.926 182 HB2 ALA 27 1HB ALA 27 -7.573 3.466 0.226 183 HB3 ALA 27 2HB ALA 27 -7.138 4.329 1.702 184 H LEU 28 H LEU 28 -6.449 4.183 -2.159 185 HA LEU 28 HA LEU 28 -3.680 3.688 -1.460 186 HB2 LEU 28 1HB LEU 28 -4.616 1.812 -2.413 187 HB3 LEU 28 2HB LEU 28 -5.548 2.744 -3.583 188 HG LEU 28 HG LEU 28 -3.096 3.266 -4.502 189 HD11 LEU 28 1HD1 LEU 28 -1.719 1.247 -4.378 190 HD12 LEU 28 2HD1 LEU 28 -2.866 0.535 -3.245 191 HD13 LEU 28 3HD1 LEU 28 -1.954 1.973 -2.788 192 HD21 LEU 28 3HD2 LEU 28 -5.260 1.868 -5.359 193 HD22 LEU 28 1HD2 LEU 28 -4.026 0.608 -5.330 194 HD23 LEU 28 2HD2 LEU 28 -3.769 2.071 -6.281 195 H ASN 29 H ASN 29 -5.463 5.311 -4.073 196 HA ASN 29 HA ASN 29 -3.358 6.176 -5.624 197 HB2 ASN 29 1HB ASN 29 -6.079 7.276 -5.052 198 HB3 ASN 29 2HB ASN 29 -4.948 8.258 -5.979 199 HD21 ASN 29 1HD2 ASN 29 -7.396 7.225 -6.933 200 HD22 ASN 29 2HD2 ASN 29 -7.041 6.128 -8.220 201 H SER 30 H SER 30 -4.381 7.320 -2.508 202 HA SER 30 HA SER 30 -2.730 9.707 -2.654 203 HB2 SER 30 1HB SER 30 -4.826 9.941 -1.486 204 HB3 SER 30 2HB SER 30 -4.458 8.562 -0.450 205 HG SER 30 HG SER 30 -4.008 10.975 0.178 206 H HIS 31 H HIS 31 -2.754 6.573 -1.034 207 HA HIS 31 HA HIS 31 -0.566 6.975 0.668 208 HB2 HIS 31 1HB HIS 31 -1.912 5.067 1.066 209 HB3 HIS 31 2HB HIS 31 -1.731 4.496 -0.590 210 HD1 HIS 31 HD1 HIS 31 0.141 4.721 2.665 211 HD2 HIS 31 HD2 HIS 31 0.496 2.926 -1.065 212 HE1 HIS 31 HE1 HIS 31 2.048 3.096 2.880 213 H ARG 32 H ARG 32 -0.725 5.826 -2.675 214 HA ARG 32 HA ARG 32 1.959 5.115 -2.988 215 HB2 ARG 32 1HB ARG 32 0.080 6.251 -5.068 216 HB3 ARG 32 2HB ARG 32 1.569 5.376 -5.397 217 HG2 ARG 32 1HG ARG 32 0.636 3.372 -4.381 218 HG3 ARG 32 2HG ARG 32 -0.850 4.246 -4.005 219 HD2 ARG 32 1HD ARG 32 0.254 3.752 -6.769 220 HD3 ARG 32 2HD ARG 32 -1.081 2.873 -6.024 221 HE ARG 32 HE ARG 32 -2.461 4.690 -6.393 222 HH11 ARG 32 1HH1 ARG 32 0.841 5.502 -7.142 223 HH12 ARG 32 2HH1 ARG 32 0.433 6.987 -7.937 224 HH21 ARG 32 1HH2 ARG 32 -3.011 6.643 -7.436 225 HH22 ARG 32 2HH2 ARG 32 -1.758 7.635 -8.102 226 H MET 33 H MET 33 0.460 8.210 -2.776 227 HA MET 33 HA MET 33 2.403 9.745 -4.143 228 HB2 MET 33 1HB MET 33 0.593 10.594 -1.875 229 HB3 MET 33 2HB MET 33 1.425 11.665 -2.994 230 HG2 MET 33 1HG MET 33 0.130 10.530 -4.841 231 HG3 MET 33 2HG MET 33 -0.836 9.781 -3.572 232 HE1 MET 33 3HE MET 33 -1.869 12.454 -6.019 233 HE2 MET 33 1HE MET 33 -2.334 10.850 -5.450 234 HE3 MET 33 2HE MET 33 -3.287 12.261 -4.987 235 H ILE 34 H ILE 34 2.018 8.853 -0.733 236 HA ILE 34 HA ILE 34 4.044 10.333 0.404 237 HB ILE 34 HB ILE 34 3.947 8.940 2.241 238 HG12 ILE 34 1HG1 ILE 34 3.609 6.725 0.242 239 HG13 ILE 34 2HG1 ILE 34 4.834 6.909 1.493 240 HG21 ILE 34 1HG2 ILE 34 1.402 8.027 0.950 241 HG22 ILE 34 2HG2 ILE 34 1.694 8.497 2.624 242 HG23 ILE 34 3HG2 ILE 34 1.662 9.723 1.357 243 HD11 ILE 34 3HD1 ILE 34 1.929 6.338 2.024 244 HD12 ILE 34 1HD1 ILE 34 3.200 5.117 1.952 245 HD13 ILE 34 2HD1 ILE 34 3.242 6.363 3.201 246 H HIS 35 H HIS 35 4.277 7.537 -1.648 247 HA HIS 35 HA HIS 35 7.064 7.060 -1.043 248 HB2 HIS 35 1HB HIS 35 5.282 5.893 -3.191 249 HB3 HIS 35 2HB HIS 35 6.914 5.345 -2.818 250 HD1 HIS 35 HD1 HIS 35 6.862 5.083 0.175 251 HD2 HIS 35 HD2 HIS 35 3.674 3.944 -2.233 252 HE1 HIS 35 HE1 HIS 35 5.562 3.409 1.528 253 H THR 36 H THR 36 5.202 8.216 -3.845 254 HA THR 36 HA THR 36 7.092 8.660 -5.713 255 HB THR 36 HB THR 36 5.827 10.547 -6.545 256 HG1 THR 36 HG1 THR 36 5.556 11.555 -4.430 257 HG21 THR 36 3HG2 THR 36 4.859 8.140 -6.488 258 HG22 THR 36 1HG2 THR 36 3.795 9.478 -6.918 259 HG23 THR 36 2HG2 THR 36 3.741 8.796 -5.293 260 H GLY 37 H GLY 37 6.484 10.756 -2.911 261 HA2 GLY 37 1HA GLY 37 8.857 11.504 -2.091 262 HA3 GLY 37 2HA GLY 37 8.824 12.372 -3.619 263 H GLU 38 H GLU 38 8.796 14.436 -2.855 264 HA GLU 38 HA GLU 38 6.596 15.169 -1.044 265 HB2 GLU 38 1HB GLU 38 9.313 16.339 -1.531 266 HB3 GLU 38 2HB GLU 38 8.028 17.346 -0.879 267 HG2 GLU 38 1HG GLU 38 7.940 16.191 1.105 268 HG3 GLU 38 2HG GLU 38 8.624 14.725 0.406 269 H LYS 39 H LYS 39 5.957 14.736 -3.700 270 HA LYS 39 HA LYS 39 5.459 17.477 -4.664 271 HB2 LYS 39 1HB LYS 39 5.786 14.980 -6.338 272 HB3 LYS 39 2HB LYS 39 5.441 16.592 -6.951 273 HG2 LYS 39 1HG LYS 39 7.700 16.444 -7.302 274 HG3 LYS 39 2HG LYS 39 7.649 17.229 -5.722 275 HD2 LYS 39 1HD LYS 39 8.035 15.104 -4.621 276 HD3 LYS 39 2HD LYS 39 7.984 14.263 -6.172 277 HE2 LYS 39 1HE LYS 39 10.265 14.492 -5.715 278 HE3 LYS 39 2HE LYS 39 9.919 15.792 -6.854 279 HZ1 LYS 39 3HZ LYS 39 10.016 16.135 -3.907 280 HZ2 LYS 39 1HZ LYS 39 9.852 17.358 -5.065 281 HZ3 LYS 39 2HZ LYS 39 11.299 16.490 -4.951 282 HA PRO 40 HA PRO 40 1.381 15.563 -3.677 283 HB2 PRO 40 1HB PRO 40 0.295 17.860 -2.720 284 HB3 PRO 40 2HB PRO 40 1.264 16.767 -1.724 285 HG2 PRO 40 1HG PRO 40 2.072 19.307 -3.087 286 HG3 PRO 40 2HG PRO 40 2.469 18.738 -1.455 287 HD2 PRO 40 1HD PRO 40 4.198 18.536 -3.529 288 HD3 PRO 40 2HD PRO 40 4.145 17.348 -2.211 289 H SER 41 H SER 41 0.432 15.262 -5.617 290 HA SER 41 HA SER 41 -0.542 17.654 -7.032 291 HB2 SER 41 1HB SER 41 1.417 16.384 -8.142 292 HB3 SER 41 2HB SER 41 0.224 15.131 -8.486 293 HG SER 41 HG SER 41 0.682 17.285 -9.886 294 H GLY 42 H GLY 42 -2.562 17.442 -6.005 295 HA2 GLY 42 1HA GLY 42 -4.366 15.658 -7.356 296 HA3 GLY 42 2HA GLY 42 -4.134 15.237 -5.666 297 HA PRO 43 HA PRO 43 -7.578 18.370 -6.066 298 HB2 PRO 43 1HB PRO 43 -9.429 16.900 -4.731 299 HB3 PRO 43 2HB PRO 43 -9.172 16.767 -6.475 300 HG2 PRO 43 1HG PRO 43 -8.160 15.011 -4.272 301 HG3 PRO 43 2HG PRO 43 -8.837 14.554 -5.845 302 HD2 PRO 43 1HD PRO 43 -6.174 14.585 -5.359 303 HD3 PRO 43 2HD PRO 43 -6.857 14.955 -6.955 304 H SER 44 H SER 44 -6.258 19.610 -4.611 305 HA SER 44 HA SER 44 -6.896 19.147 -1.770 306 HB2 SER 44 1HB SER 44 -4.764 20.399 -1.287 307 HB3 SER 44 2HB SER 44 -4.532 18.838 -2.075 308 HG SER 44 HG SER 44 -4.822 20.967 -3.798 309 H SER 45 H SER 45 -8.649 20.541 -3.413 310 HA SER 45 HA SER 45 -8.178 23.368 -3.208 311 HB2 SER 45 1HB SER 45 -9.506 22.715 -5.056 312 HB3 SER 45 2HB SER 45 -10.548 21.705 -4.054 313 HG SER 45 HG SER 45 -11.631 23.429 -3.409 314 H GLY 46 H GLY 46 -10.263 21.016 -1.555 315 HA2 GLY 46 1HA GLY 46 -10.222 22.638 0.839 316 HA3 GLY 46 2HA GLY 46 -11.796 22.539 0.065 Start of MODEL 3 1 H1 GLY 1 H GLY 1 9.334 -19.139 1.623 2 HA2 GLY 1 1HA GLY 1 7.376 -18.175 0.391 3 HA3 GLY 1 2HA GLY 1 7.746 -19.352 -0.861 4 H SER 2 H SER 2 6.245 -18.799 2.193 5 HA SER 2 HA SER 2 5.733 -21.596 2.714 6 HB2 SER 2 1HB SER 2 4.610 -20.856 4.700 7 HB3 SER 2 2HB SER 2 6.058 -19.866 4.525 8 HG SER 2 HG SER 2 4.078 -18.699 5.025 9 H SER 3 H SER 3 3.591 -22.498 2.872 10 HA SER 3 HA SER 3 1.998 -21.918 0.595 11 HB2 SER 3 1HB SER 3 0.460 -23.645 1.534 12 HB3 SER 3 2HB SER 3 2.135 -24.189 1.433 13 HG SER 3 HG SER 3 1.447 -24.742 3.444 14 H GLY 4 H GLY 4 -0.221 -21.263 0.545 15 HA2 GLY 4 1HA GLY 4 -2.163 -20.315 1.556 16 HA3 GLY 4 2HA GLY 4 -1.173 -19.823 2.922 17 H SER 5 H SER 5 0.938 -18.617 1.473 18 HA SER 5 HA SER 5 -0.432 -16.170 0.626 19 HB2 SER 5 1HB SER 5 1.392 -16.240 2.460 20 HB3 SER 5 2HB SER 5 2.528 -16.411 1.122 21 HG SER 5 HG SER 5 2.282 -14.373 0.685 22 H SER 6 H SER 6 -0.944 -16.559 -1.498 23 HA SER 6 HA SER 6 1.094 -16.147 -3.422 24 HB2 SER 6 1HB SER 6 1.590 -18.503 -3.037 25 HB3 SER 6 2HB SER 6 -0.101 -18.927 -3.303 26 HG SER 6 HG SER 6 1.080 -17.491 -5.341 27 H GLY 7 H GLY 7 0.201 -15.133 -5.104 28 HA2 GLY 7 1HA GLY 7 -1.608 -15.363 -6.845 29 HA3 GLY 7 2HA GLY 7 -2.714 -15.431 -5.482 30 H THR 8 H THR 8 -3.605 -13.587 -4.821 31 HA THR 8 HA THR 8 -2.223 -11.057 -5.322 32 HB THR 8 HB THR 8 -4.255 -10.011 -6.229 33 HG1 THR 8 HG1 THR 8 -6.090 -11.115 -6.449 34 HG21 THR 8 3HG2 THR 8 -4.310 -11.324 -8.426 35 HG22 THR 8 1HG2 THR 8 -3.131 -12.397 -7.674 36 HG23 THR 8 2HG2 THR 8 -2.750 -10.690 -7.903 37 H ALA 9 H ALA 9 -3.442 -9.203 -4.265 38 HA ALA 9 HA ALA 9 -3.938 -9.901 -1.534 39 HB1 ALA 9 3HB ALA 9 -3.239 -7.818 -1.244 40 HB2 ALA 9 1HB ALA 9 -3.277 -7.547 -2.986 41 HB3 ALA 9 2HB ALA 9 -4.710 -7.220 -2.012 42 H GLU 10 H GLU 10 -5.843 -9.701 -0.356 43 HA GLU 10 HA GLU 10 -8.199 -10.543 -1.548 44 HB2 GLU 10 1HB GLU 10 -7.777 -10.754 0.849 45 HB3 GLU 10 2HB GLU 10 -7.851 -9.007 1.033 46 HG2 GLU 10 1HG GLU 10 -10.198 -9.037 0.346 47 HG3 GLU 10 2HG GLU 10 -10.121 -10.791 0.180 48 H LYS 11 H LYS 11 -6.824 -7.418 -1.474 49 HA LYS 11 HA LYS 11 -9.373 -6.199 -2.299 50 HB2 LYS 11 1HB LYS 11 -6.851 -4.835 -1.336 51 HB3 LYS 11 2HB LYS 11 -8.373 -4.044 -1.725 52 HG2 LYS 11 1HG LYS 11 -7.741 -5.845 0.586 53 HG3 LYS 11 2HG LYS 11 -8.331 -4.181 0.609 54 HD2 LYS 11 1HD LYS 11 -9.866 -6.615 -0.304 55 HD3 LYS 11 2HD LYS 11 -10.117 -5.721 1.197 56 HE2 LYS 11 1HE LYS 11 -10.460 -3.687 -0.389 57 HE3 LYS 11 2HE LYS 11 -10.741 -4.921 -1.617 58 HZ1 LYS 11 3HZ LYS 11 -12.800 -5.118 -0.870 59 HZ2 LYS 11 1HZ LYS 11 -12.512 -3.976 0.345 60 HZ3 LYS 11 2HZ LYS 11 -12.223 -5.616 0.640 61 HA PRO 12 HA PRO 12 -7.923 -5.695 -6.415 62 HB2 PRO 12 1HB PRO 12 -9.225 -3.421 -7.126 63 HB3 PRO 12 2HB PRO 12 -10.043 -4.977 -6.935 64 HG2 PRO 12 1HG PRO 12 -9.874 -2.679 -5.024 65 HG3 PRO 12 2HG PRO 12 -11.272 -3.687 -5.441 66 HD2 PRO 12 1HD PRO 12 -9.832 -4.058 -3.179 67 HD3 PRO 12 2HD PRO 12 -10.616 -5.397 -4.042 68 H PHE 13 H PHE 13 -7.584 -3.038 -4.151 69 HA PHE 13 HA PHE 13 -5.588 -1.742 -5.845 70 HB2 PHE 13 1HB PHE 13 -6.523 -0.821 -3.128 71 HB3 PHE 13 2HB PHE 13 -5.740 0.132 -4.385 72 HD1 PHE 13 HD2 PHE 13 -8.872 -1.392 -3.273 73 HD2 PHE 13 HD1 PHE 13 -6.984 0.962 -6.275 74 HE1 PHE 13 HE2 PHE 13 -11.078 -0.718 -4.128 75 HE2 PHE 13 HE1 PHE 13 -9.188 1.640 -7.134 76 HZ PHE 13 HZ PHE 13 -11.238 0.800 -6.061 77 H ARG 14 H ARG 14 -3.448 -1.774 -5.455 78 HA ARG 14 HA ARG 14 -2.415 -2.613 -2.879 79 HB2 ARG 14 1HB ARG 14 -2.846 -4.724 -4.174 80 HB3 ARG 14 2HB ARG 14 -1.674 -4.166 -5.361 81 HG2 ARG 14 1HG ARG 14 0.050 -4.129 -3.603 82 HG3 ARG 14 2HG ARG 14 -1.134 -4.769 -2.462 83 HD2 ARG 14 1HD ARG 14 0.292 -6.541 -3.354 84 HD3 ARG 14 2HD ARG 14 -1.390 -6.768 -3.829 85 HE ARG 14 HE ARG 14 -0.416 -5.464 -5.943 86 HH11 ARG 14 1HH1 ARG 14 0.824 -8.183 -4.157 87 HH12 ARG 14 2HH1 ARG 14 1.631 -8.878 -5.523 88 HH21 ARG 14 1HH2 ARG 14 0.643 -6.369 -7.749 89 HH22 ARG 14 2HH2 ARG 14 1.529 -7.846 -7.566 90 H CYS 15 H CYS 15 -0.450 -1.748 -2.448 91 HA CYS 15 HA CYS 15 0.631 0.101 -4.410 92 HB2 CYS 15 1HB CYS 15 0.373 0.934 -2.157 93 HB3 CYS 15 2HB CYS 15 1.313 -0.406 -1.509 94 H ASP 16 H ASP 16 2.148 -0.507 -5.788 95 HA ASP 16 HA ASP 16 3.693 -2.908 -5.340 96 HB2 ASP 16 1HB ASP 16 2.701 -1.935 -7.587 97 HB3 ASP 16 2HB ASP 16 4.228 -1.058 -7.626 98 H THR 17 H THR 17 4.214 -0.891 -3.441 99 HA THR 17 HA THR 17 7.034 -0.310 -4.060 100 HB THR 17 HB THR 17 5.292 1.512 -2.399 101 HG1 THR 17 HG1 THR 17 4.650 2.421 -4.196 102 HG21 THR 17 3HG2 THR 17 7.172 3.118 -2.973 103 HG22 THR 17 1HG2 THR 17 8.067 1.714 -3.553 104 HG23 THR 17 2HG2 THR 17 7.580 1.812 -1.861 105 H CYS 18 H CYS 18 4.685 -0.419 -1.376 106 HA CYS 18 HA CYS 18 6.784 -1.663 0.278 107 HB2 CYS 18 1HB CYS 18 5.633 -0.726 2.239 108 HB3 CYS 18 2HB CYS 18 6.135 0.539 1.122 109 H ASP 19 H ASP 19 4.423 -2.629 -1.541 110 HA ASP 19 HA ASP 19 3.051 -4.442 -1.607 111 HB2 ASP 19 1HB ASP 19 5.025 -5.590 -0.635 112 HB3 ASP 19 2HB ASP 19 4.417 -5.223 0.977 113 H LYS 20 H LYS 20 1.869 -2.188 -0.696 114 HA LYS 20 HA LYS 20 0.307 -2.972 1.662 115 HB2 LYS 20 1HB LYS 20 1.100 -0.394 0.459 116 HB3 LYS 20 2HB LYS 20 -0.536 -0.455 1.101 117 HG2 LYS 20 1HG LYS 20 1.629 -1.504 2.825 118 HG3 LYS 20 2HG LYS 20 1.563 0.242 2.573 119 HD2 LYS 20 1HD LYS 20 -0.566 0.415 3.526 120 HD3 LYS 20 2HD LYS 20 -0.883 -1.313 3.352 121 HE2 LYS 20 1HE LYS 20 -0.453 -0.752 5.678 122 HE3 LYS 20 2HE LYS 20 0.825 -1.788 5.044 123 HZ1 LYS 20 3HZ LYS 20 1.194 1.118 4.930 124 HZ2 LYS 20 1HZ LYS 20 2.347 -0.109 5.106 125 HZ3 LYS 20 2HZ LYS 20 1.385 0.342 6.422 126 H SER 21 H SER 21 -2.053 -2.106 1.525 127 HA SER 21 HA SER 21 -3.253 -2.263 -1.097 128 HB2 SER 21 1HB SER 21 -4.771 -4.174 -0.368 129 HB3 SER 21 2HB SER 21 -3.105 -4.612 -0.746 130 HG SER 21 HG SER 21 -4.017 -5.487 1.265 131 H PHE 22 H PHE 22 -5.412 -1.568 -1.136 132 HA PHE 22 HA PHE 22 -6.576 -0.693 1.404 133 HB2 PHE 22 1HB PHE 22 -6.235 1.104 -1.007 134 HB3 PHE 22 2HB PHE 22 -7.104 1.522 0.466 135 HD1 PHE 22 HD2 PHE 22 -3.744 0.266 -0.566 136 HD2 PHE 22 HD1 PHE 22 -5.996 2.784 2.024 137 HE1 PHE 22 HE2 PHE 22 -1.655 1.115 0.418 138 HE2 PHE 22 HE1 PHE 22 -3.910 3.638 3.011 139 HZ PHE 22 HZ PHE 22 -1.737 2.803 2.210 140 H ARG 23 H ARG 23 -8.867 0.130 1.048 141 HA ARG 23 HA ARG 23 -10.206 -1.727 -0.778 142 HB2 ARG 23 1HB ARG 23 -11.397 -0.084 1.463 143 HB3 ARG 23 2HB ARG 23 -12.192 -1.373 0.569 144 HG2 ARG 23 1HG ARG 23 -10.426 -2.930 1.456 145 HG3 ARG 23 2HG ARG 23 -9.917 -1.613 2.515 146 HD2 ARG 23 1HD ARG 23 -12.729 -2.686 2.414 147 HD3 ARG 23 2HD ARG 23 -11.506 -3.264 3.544 148 HE ARG 23 HE ARG 23 -12.000 -0.405 3.554 149 HH11 ARG 23 1HH1 ARG 23 -12.679 -3.509 4.976 150 HH12 ARG 23 2HH1 ARG 23 -13.248 -2.845 6.472 151 HH21 ARG 23 1HH2 ARG 23 -12.747 0.482 5.518 152 HH22 ARG 23 2HH2 ARG 23 -13.287 -0.575 6.779 153 H GLN 24 H GLN 24 -9.926 1.690 -0.015 154 HA GLN 24 HA GLN 24 -11.733 2.338 -2.237 155 HB2 GLN 24 1HB GLN 24 -10.613 4.281 -0.224 156 HB3 GLN 24 2HB GLN 24 -12.002 4.497 -1.282 157 HG2 GLN 24 1HG GLN 24 -12.069 2.283 0.696 158 HG3 GLN 24 2HG GLN 24 -12.278 3.935 1.273 159 HE21 GLN 24 1HE2 GLN 24 -14.387 2.850 1.861 160 HE22 GLN 24 2HE2 GLN 24 -15.664 2.964 0.702 161 H ARG 25 H ARG 25 -10.972 3.139 -4.087 162 HA ARG 25 HA ARG 25 -8.301 3.125 -4.783 163 HB2 ARG 25 1HB ARG 25 -10.350 3.241 -6.303 164 HB3 ARG 25 2HB ARG 25 -10.311 4.981 -6.047 165 HG2 ARG 25 1HG ARG 25 -8.046 5.059 -6.978 166 HG3 ARG 25 2HG ARG 25 -8.111 3.318 -7.256 167 HD2 ARG 25 1HD ARG 25 -9.872 5.422 -8.505 168 HD3 ARG 25 2HD ARG 25 -8.618 4.478 -9.309 169 HE ARG 25 HE ARG 25 -10.240 2.554 -8.422 170 HH11 ARG 25 1HH1 ARG 25 -10.918 5.533 -10.090 171 HH12 ARG 25 2HH1 ARG 25 -12.330 4.919 -10.885 172 HH21 ARG 25 1HH2 ARG 25 -12.097 1.733 -9.462 173 HH22 ARG 25 2HH2 ARG 25 -13.000 2.758 -10.526 174 H SER 26 H SER 26 -10.213 5.712 -3.385 175 HA SER 26 HA SER 26 -8.307 7.781 -3.792 176 HB2 SER 26 1HB SER 26 -10.544 8.471 -3.400 177 HB3 SER 26 2HB SER 26 -10.671 7.492 -1.938 178 HG SER 26 HG SER 26 -10.298 9.844 -1.684 179 H ALA 27 H ALA 27 -8.557 5.204 -1.543 180 HA ALA 27 HA ALA 27 -6.923 6.432 0.494 181 HB1 ALA 27 3HB ALA 27 -7.191 4.449 1.722 182 HB2 ALA 27 1HB ALA 27 -8.724 4.673 0.878 183 HB3 ALA 27 2HB ALA 27 -7.549 3.503 0.277 184 H LEU 28 H LEU 28 -6.481 4.229 -2.203 185 HA LEU 28 HA LEU 28 -3.725 3.679 -1.495 186 HB2 LEU 28 1HB LEU 28 -4.661 1.825 -2.474 187 HB3 LEU 28 2HB LEU 28 -5.610 2.776 -3.614 188 HG LEU 28 HG LEU 28 -3.179 3.305 -4.574 189 HD11 LEU 28 1HD1 LEU 28 -2.916 0.563 -3.349 190 HD12 LEU 28 2HD1 LEU 28 -2.003 2.000 -2.891 191 HD13 LEU 28 3HD1 LEU 28 -1.790 1.294 -4.494 192 HD21 LEU 28 3HD2 LEU 28 -4.090 0.657 -5.425 193 HD22 LEU 28 1HD2 LEU 28 -3.904 2.147 -6.349 194 HD23 LEU 28 2HD2 LEU 28 -5.358 1.883 -5.386 195 H ASN 29 H ASN 29 -5.464 5.351 -4.108 196 HA ASN 29 HA ASN 29 -3.333 6.198 -5.633 197 HB2 ASN 29 1HB ASN 29 -6.038 7.348 -5.071 198 HB3 ASN 29 2HB ASN 29 -4.883 8.297 -6.003 199 HD21 ASN 29 1HD2 ASN 29 -7.227 7.539 -7.133 200 HD22 ASN 29 2HD2 ASN 29 -6.944 6.338 -8.342 201 H SER 30 H SER 30 -4.366 7.330 -2.517 202 HA SER 30 HA SER 30 -2.627 9.666 -2.636 203 HB2 SER 30 1HB SER 30 -4.764 8.704 -0.791 204 HB3 SER 30 2HB SER 30 -3.524 9.771 -0.132 205 HG SER 30 HG SER 30 -4.561 10.581 -2.548 206 H HIS 31 H HIS 31 -2.818 6.510 -1.123 207 HA HIS 31 HA HIS 31 -0.746 6.834 0.756 208 HB2 HIS 31 1HB HIS 31 -2.064 4.953 1.132 209 HB3 HIS 31 2HB HIS 31 -2.031 4.467 -0.560 210 HD1 HIS 31 HD1 HIS 31 0.057 4.376 2.567 211 HD2 HIS 31 HD2 HIS 31 0.044 2.780 -1.268 212 HE1 HIS 31 HE1 HIS 31 1.854 2.616 2.565 213 H ARG 32 H ARG 32 -0.740 5.866 -2.632 214 HA ARG 32 HA ARG 32 1.945 5.037 -2.781 215 HB2 ARG 32 1HB ARG 32 0.255 6.254 -4.973 216 HB3 ARG 32 2HB ARG 32 1.708 5.287 -5.194 217 HG2 ARG 32 1HG ARG 32 0.336 3.503 -3.841 218 HG3 ARG 32 2HG ARG 32 -1.037 4.443 -4.429 219 HD2 ARG 32 1HD ARG 32 -0.602 2.661 -5.978 220 HD3 ARG 32 2HD ARG 32 -0.154 4.189 -6.734 221 HE ARG 32 HE ARG 32 2.181 3.362 -5.699 222 HH11 ARG 32 1HH1 ARG 32 -0.214 1.751 -7.646 223 HH12 ARG 32 2HH1 ARG 32 0.931 0.709 -8.424 224 HH21 ARG 32 1HH2 ARG 32 3.698 1.996 -6.717 225 HH22 ARG 32 2HH2 ARG 32 3.155 0.849 -7.894 226 H MET 33 H MET 33 0.480 8.172 -2.709 227 HA MET 33 HA MET 33 2.530 9.676 -3.916 228 HB2 MET 33 1HB MET 33 0.537 10.460 -1.782 229 HB3 MET 33 2HB MET 33 1.556 11.594 -2.660 230 HG2 MET 33 1HG MET 33 0.482 10.580 -4.770 231 HG3 MET 33 2HG MET 33 -0.736 9.958 -3.659 232 HE1 MET 33 3HE MET 33 -2.577 12.207 -5.473 233 HE2 MET 33 1HE MET 33 -2.541 10.773 -4.447 234 HE3 MET 33 2HE MET 33 -3.221 12.279 -3.832 235 H ILE 34 H ILE 34 1.970 8.734 -0.545 236 HA ILE 34 HA ILE 34 3.940 10.160 0.732 237 HB ILE 34 HB ILE 34 3.778 8.690 2.508 238 HG12 ILE 34 1HG1 ILE 34 3.478 6.556 0.413 239 HG13 ILE 34 2HG1 ILE 34 4.686 6.690 1.685 240 HG21 ILE 34 1HG2 ILE 34 1.280 7.886 1.051 241 HG22 ILE 34 2HG2 ILE 34 1.501 8.205 2.771 242 HG23 ILE 34 3HG2 ILE 34 1.539 9.537 1.616 243 HD11 ILE 34 3HD1 ILE 34 3.048 6.113 3.353 244 HD12 ILE 34 1HD1 ILE 34 1.773 6.091 2.135 245 HD13 ILE 34 2HD1 ILE 34 3.064 4.891 2.083 246 H HIS 35 H HIS 35 4.296 7.529 -1.481 247 HA HIS 35 HA HIS 35 7.056 7.018 -0.743 248 HB2 HIS 35 1HB HIS 35 5.388 5.912 -3.012 249 HB3 HIS 35 2HB HIS 35 7.001 5.360 -2.570 250 HD1 HIS 35 HD1 HIS 35 6.833 4.950 0.379 251 HD2 HIS 35 HD2 HIS 35 3.705 3.975 -2.176 252 HE1 HIS 35 HE1 HIS 35 5.464 3.240 1.613 253 H THR 36 H THR 36 5.974 9.622 -1.942 254 HA THR 36 HA THR 36 8.191 9.988 -3.796 255 HB THR 36 HB THR 36 6.901 10.948 -5.558 256 HG1 THR 36 HG1 THR 36 4.675 10.619 -3.809 257 HG21 THR 36 3HG2 THR 36 5.582 8.395 -4.627 258 HG22 THR 36 1HG2 THR 36 7.023 8.520 -5.635 259 HG23 THR 36 2HG2 THR 36 5.464 9.066 -6.254 260 H GLY 37 H GLY 37 8.823 12.175 -4.066 261 HA2 GLY 37 1HA GLY 37 8.096 14.549 -3.598 262 HA3 GLY 37 2HA GLY 37 7.721 13.959 -1.986 263 H GLU 38 H GLU 38 9.148 14.976 -0.709 264 HA GLU 38 HA GLU 38 11.909 15.296 -1.535 265 HB2 GLU 38 1HB GLU 38 10.463 16.116 0.989 266 HB3 GLU 38 2HB GLU 38 12.147 16.484 0.644 267 HG2 GLU 38 1HG GLU 38 10.984 18.425 0.086 268 HG3 GLU 38 2HG GLU 38 11.304 17.636 -1.457 269 H LYS 39 H LYS 39 13.566 14.894 0.335 270 HA LYS 39 HA LYS 39 13.040 12.257 1.532 271 HB2 LYS 39 1HB LYS 39 15.177 11.446 0.899 272 HB3 LYS 39 2HB LYS 39 14.482 12.163 -0.549 273 HG2 LYS 39 1HG LYS 39 15.792 14.280 0.178 274 HG3 LYS 39 2HG LYS 39 16.725 13.146 1.158 275 HD2 LYS 39 1HD LYS 39 17.548 12.023 -0.698 276 HD3 LYS 39 2HD LYS 39 16.238 12.581 -1.741 277 HE2 LYS 39 1HE LYS 39 17.187 14.905 -1.482 278 HE3 LYS 39 2HE LYS 39 18.587 14.160 -0.711 279 HZ1 LYS 39 3HZ LYS 39 17.737 13.146 -3.325 280 HZ2 LYS 39 1HZ LYS 39 19.289 13.242 -2.658 281 HZ3 LYS 39 2HZ LYS 39 18.545 14.631 -3.271 282 HA PRO 40 HA PRO 40 14.435 14.100 5.280 283 HB2 PRO 40 1HB PRO 40 15.132 11.851 6.632 284 HB3 PRO 40 2HB PRO 40 13.451 12.318 6.346 285 HG2 PRO 40 1HG PRO 40 15.143 10.335 4.874 286 HG3 PRO 40 2HG PRO 40 13.451 10.199 5.389 287 HD2 PRO 40 1HD PRO 40 14.155 10.813 2.847 288 HD3 PRO 40 2HD PRO 40 12.677 11.438 3.607 289 H SER 41 H SER 41 16.440 12.764 3.017 290 HA SER 41 HA SER 41 18.850 13.155 4.664 291 HB2 SER 41 1HB SER 41 20.033 11.800 2.975 292 HB3 SER 41 2HB SER 41 18.680 10.915 3.680 293 HG SER 41 HG SER 41 18.881 10.829 1.325 294 H GLY 42 H GLY 42 20.571 14.397 3.857 295 HA2 GLY 42 1HA GLY 42 21.547 15.694 2.041 296 HA3 GLY 42 2HA GLY 42 19.913 16.083 1.524 297 HA PRO 43 HA PRO 43 21.767 19.384 4.390 298 HB2 PRO 43 1HB PRO 43 22.162 21.315 2.523 299 HB3 PRO 43 2HB PRO 43 23.398 20.127 2.952 300 HG2 PRO 43 1HG PRO 43 21.518 20.148 0.622 301 HG3 PRO 43 2HG PRO 43 23.244 19.744 0.663 302 HD2 PRO 43 1HD PRO 43 21.307 17.853 0.616 303 HD3 PRO 43 2HD PRO 43 22.856 17.613 1.449 304 H SER 44 H SER 44 19.782 19.716 5.335 305 HA SER 44 HA SER 44 18.191 21.860 4.258 306 HB2 SER 44 1HB SER 44 16.058 20.597 4.295 307 HB3 SER 44 2HB SER 44 17.176 19.982 3.077 308 HG SER 44 HG SER 44 16.033 18.449 4.608 309 H SER 45 H SER 45 16.613 22.659 5.781 310 HA SER 45 HA SER 45 17.554 22.516 8.470 311 HB2 SER 45 1HB SER 45 16.021 24.239 8.947 312 HB3 SER 45 2HB SER 45 16.473 24.524 7.266 313 HG SER 45 HG SER 45 14.518 23.973 6.628 314 H GLY 46 H GLY 46 16.493 21.734 10.310 315 HA2 GLY 46 1HA GLY 46 14.400 19.728 9.736 316 HA3 GLY 46 2HA GLY 46 15.653 19.503 10.947 Start of MODEL 4 1 H1 GLY 1 H GLY 1 9.098 -1.758 -16.252 2 HA2 GLY 1 1HA GLY 1 11.064 -3.092 -16.312 3 HA3 GLY 1 2HA GLY 1 11.974 -1.731 -15.675 4 H SER 2 H SER 2 9.720 -4.303 -14.865 5 HA SER 2 HA SER 2 10.922 -4.683 -12.309 6 HB2 SER 2 1HB SER 2 9.299 -2.652 -12.069 7 HB3 SER 2 2HB SER 2 8.034 -3.879 -12.116 8 HG SER 2 HG SER 2 8.636 -3.517 -9.984 9 H SER 3 H SER 3 9.521 -6.304 -10.988 10 HA SER 3 HA SER 3 8.389 -8.252 -12.888 11 HB2 SER 3 1HB SER 3 9.933 -8.734 -10.331 12 HB3 SER 3 2HB SER 3 9.137 -10.002 -11.263 13 HG SER 3 HG SER 3 11.052 -8.253 -12.395 14 H GLY 4 H GLY 4 6.857 -9.832 -11.828 15 HA2 GLY 4 1HA GLY 4 4.948 -8.291 -10.230 16 HA3 GLY 4 2HA GLY 4 4.602 -9.768 -11.118 17 H SER 5 H SER 5 3.936 -9.127 -8.369 18 HA SER 5 HA SER 5 5.675 -10.909 -6.833 19 HB2 SER 5 1HB SER 5 3.405 -9.110 -5.950 20 HB3 SER 5 2HB SER 5 4.390 -10.096 -4.869 21 HG SER 5 HG SER 5 5.834 -8.486 -6.567 22 H SER 6 H SER 6 4.979 -12.796 -5.894 23 HA SER 6 HA SER 6 2.834 -14.153 -7.193 24 HB2 SER 6 1HB SER 6 4.841 -15.357 -6.480 25 HB3 SER 6 2HB SER 6 4.497 -14.964 -4.795 26 HG SER 6 HG SER 6 2.334 -16.064 -5.507 27 H GLY 7 H GLY 7 0.838 -14.749 -6.427 28 HA2 GLY 7 1HA GLY 7 -0.851 -14.983 -4.789 29 HA3 GLY 7 2HA GLY 7 0.074 -13.939 -3.720 30 H THR 8 H THR 8 -2.529 -13.432 -3.846 31 HA THR 8 HA THR 8 -2.617 -10.880 -5.275 32 HB THR 8 HB THR 8 -4.948 -11.293 -6.004 33 HG1 THR 8 HG1 THR 8 -5.815 -13.341 -5.830 34 HG21 THR 8 3HG2 THR 8 -3.181 -11.613 -7.619 35 HG22 THR 8 1HG2 THR 8 -4.399 -12.867 -7.847 36 HG23 THR 8 2HG2 THR 8 -2.885 -13.247 -7.026 37 H ALA 9 H ALA 9 -3.144 -9.333 -3.890 38 HA ALA 9 HA ALA 9 -3.928 -9.780 -1.243 39 HB1 ALA 9 3HB ALA 9 -4.759 -7.183 -1.931 40 HB2 ALA 9 1HB ALA 9 -3.259 -7.668 -1.141 41 HB3 ALA 9 2HB ALA 9 -3.324 -7.525 -2.898 42 H GLU 10 H GLU 10 -5.885 -9.530 -0.161 43 HA GLU 10 HA GLU 10 -8.171 -10.518 -1.426 44 HB2 GLU 10 1HB GLU 10 -7.750 -10.617 1.016 45 HB3 GLU 10 2HB GLU 10 -8.043 -8.886 1.116 46 HG2 GLU 10 1HG GLU 10 -9.992 -10.141 1.819 47 HG3 GLU 10 2HG GLU 10 -10.333 -9.218 0.357 48 H LYS 11 H LYS 11 -6.902 -7.333 -1.285 49 HA LYS 11 HA LYS 11 -9.447 -6.182 -2.193 50 HB2 LYS 11 1HB LYS 11 -6.924 -4.760 -1.325 51 HB3 LYS 11 2HB LYS 11 -8.470 -4.007 -1.693 52 HG2 LYS 11 1HG LYS 11 -7.746 -5.734 0.648 53 HG3 LYS 11 2HG LYS 11 -8.354 -4.077 0.643 54 HD2 LYS 11 1HD LYS 11 -9.885 -6.552 -0.155 55 HD3 LYS 11 2HD LYS 11 -10.106 -5.614 1.324 56 HE2 LYS 11 1HE LYS 11 -10.544 -3.633 -0.275 57 HE3 LYS 11 2HE LYS 11 -10.780 -4.876 -1.502 58 HZ1 LYS 11 3HZ LYS 11 -12.884 -4.330 -0.555 59 HZ2 LYS 11 1HZ LYS 11 -12.309 -4.551 1.020 60 HZ3 LYS 11 2HZ LYS 11 -12.467 -5.878 -0.016 61 HA PRO 12 HA PRO 12 -8.060 -5.780 -6.340 62 HB2 PRO 12 1HB PRO 12 -9.330 -3.498 -7.085 63 HB3 PRO 12 2HB PRO 12 -10.174 -5.032 -6.843 64 HG2 PRO 12 1HG PRO 12 -9.929 -2.692 -4.992 65 HG3 PRO 12 2HG PRO 12 -11.353 -3.682 -5.361 66 HD2 PRO 12 1HD PRO 12 -9.882 -4.027 -3.114 67 HD3 PRO 12 2HD PRO 12 -10.706 -5.370 -3.931 68 H PHE 13 H PHE 13 -7.655 -3.050 -4.167 69 HA PHE 13 HA PHE 13 -5.659 -1.841 -5.920 70 HB2 PHE 13 1HB PHE 13 -6.556 -0.855 -3.210 71 HB3 PHE 13 2HB PHE 13 -5.731 0.059 -4.468 72 HD1 PHE 13 HD2 PHE 13 -8.922 -1.359 -3.381 73 HD2 PHE 13 HD1 PHE 13 -6.928 0.918 -6.373 74 HE1 PHE 13 HE2 PHE 13 -11.096 -0.622 -4.264 75 HE2 PHE 13 HE1 PHE 13 -9.099 1.659 -7.261 76 HZ PHE 13 HZ PHE 13 -11.187 0.888 -6.207 77 H ARG 14 H ARG 14 -3.504 -1.779 -5.502 78 HA ARG 14 HA ARG 14 -2.474 -2.714 -2.954 79 HB2 ARG 14 1HB ARG 14 -2.823 -4.758 -4.376 80 HB3 ARG 14 2HB ARG 14 -1.656 -4.096 -5.512 81 HG2 ARG 14 1HG ARG 14 0.005 -4.057 -3.632 82 HG3 ARG 14 2HG ARG 14 -1.171 -4.960 -2.675 83 HD2 ARG 14 1HD ARG 14 0.438 -6.470 -3.690 84 HD3 ARG 14 2HD ARG 14 -1.169 -6.736 -4.366 85 HE ARG 14 HE ARG 14 0.516 -4.937 -5.876 86 HH11 ARG 14 1HH1 ARG 14 -0.550 -8.217 -5.402 87 HH12 ARG 14 2HH1 ARG 14 -0.126 -8.724 -7.004 88 HH21 ARG 14 1HH2 ARG 14 1.078 -5.592 -7.988 89 HH22 ARG 14 2HH2 ARG 14 0.801 -7.230 -8.473 90 H CYS 15 H CYS 15 -0.510 -1.859 -2.460 91 HA CYS 15 HA CYS 15 0.515 0.165 -4.273 92 HB2 CYS 15 1HB CYS 15 0.201 0.713 -1.895 93 HB3 CYS 15 2HB CYS 15 1.348 -0.548 -1.452 94 H ASP 16 H ASP 16 2.041 -0.296 -5.699 95 HA ASP 16 HA ASP 16 3.646 -2.686 -5.445 96 HB2 ASP 16 1HB ASP 16 2.735 -2.016 -7.632 97 HB3 ASP 16 2HB ASP 16 3.675 -0.527 -7.566 98 H THR 17 H THR 17 4.149 -0.872 -3.378 99 HA THR 17 HA THR 17 6.952 -0.190 -3.945 100 HB THR 17 HB THR 17 5.060 1.540 -2.339 101 HG1 THR 17 HG1 THR 17 4.958 1.528 -4.768 102 HG21 THR 17 3HG2 THR 17 7.950 1.969 -3.108 103 HG22 THR 17 1HG2 THR 17 7.366 1.567 -1.494 104 HG23 THR 17 2HG2 THR 17 6.931 3.109 -2.230 105 H CYS 18 H CYS 18 4.583 -0.402 -1.283 106 HA CYS 18 HA CYS 18 6.665 -1.721 0.333 107 HB2 CYS 18 1HB CYS 18 5.423 -0.912 2.317 108 HB3 CYS 18 2HB CYS 18 6.000 0.406 1.301 109 H ASP 19 H ASP 19 4.548 -2.776 -1.597 110 HA ASP 19 HA ASP 19 3.106 -4.532 -1.759 111 HB2 ASP 19 1HB ASP 19 4.742 -5.373 0.635 112 HB3 ASP 19 2HB ASP 19 3.561 -6.424 -0.140 113 H LYS 20 H LYS 20 1.787 -2.463 -0.776 114 HA LYS 20 HA LYS 20 0.291 -3.470 1.552 115 HB2 LYS 20 1HB LYS 20 1.041 -0.754 0.633 116 HB3 LYS 20 2HB LYS 20 -0.566 -0.922 1.327 117 HG2 LYS 20 1HG LYS 20 0.640 -2.109 3.272 118 HG3 LYS 20 2HG LYS 20 2.097 -1.361 2.615 119 HD2 LYS 20 1HD LYS 20 1.158 0.834 2.879 120 HD3 LYS 20 2HD LYS 20 -0.405 0.158 3.344 121 HE2 LYS 20 1HE LYS 20 2.160 -0.224 4.884 122 HE3 LYS 20 2HE LYS 20 0.936 0.988 5.263 123 HZ1 LYS 20 3HZ LYS 20 -0.652 -0.978 5.389 124 HZ2 LYS 20 1HZ LYS 20 0.453 -0.794 6.657 125 HZ3 LYS 20 2HZ LYS 20 0.729 -1.953 5.456 126 H SER 21 H SER 21 -2.070 -2.509 1.493 127 HA SER 21 HA SER 21 -3.245 -2.455 -1.148 128 HB2 SER 21 1HB SER 21 -4.828 -4.357 -0.554 129 HB3 SER 21 2HB SER 21 -3.170 -4.826 -0.930 130 HG SER 21 HG SER 21 -3.552 -5.878 0.915 131 H PHE 22 H PHE 22 -5.303 -1.576 -1.180 132 HA PHE 22 HA PHE 22 -6.432 -0.779 1.417 133 HB2 PHE 22 1HB PHE 22 -6.174 0.984 -1.029 134 HB3 PHE 22 2HB PHE 22 -6.997 1.425 0.464 135 HD1 PHE 22 HD2 PHE 22 -3.672 0.197 -0.698 136 HD2 PHE 22 HD1 PHE 22 -5.841 2.660 2.013 137 HE1 PHE 22 HE2 PHE 22 -1.553 1.057 0.210 138 HE2 PHE 22 HE1 PHE 22 -3.725 3.525 2.924 139 HZ PHE 22 HZ PHE 22 -1.578 2.723 2.024 140 H ARG 23 H ARG 23 -8.720 0.265 0.946 141 HA ARG 23 HA ARG 23 -10.160 -1.713 -0.677 142 HB2 ARG 23 1HB ARG 23 -11.179 0.097 1.521 143 HB3 ARG 23 2HB ARG 23 -12.129 -1.111 0.666 144 HG2 ARG 23 1HG ARG 23 -11.582 -2.179 2.639 145 HG3 ARG 23 2HG ARG 23 -10.358 -2.780 1.518 146 HD2 ARG 23 1HD ARG 23 -8.737 -1.220 2.377 147 HD3 ARG 23 2HD ARG 23 -9.957 -0.454 3.393 148 HE ARG 23 HE ARG 23 -10.013 -2.980 4.277 149 HH11 ARG 23 1HH1 ARG 23 -7.370 -0.799 3.663 150 HH12 ARG 23 2HH1 ARG 23 -6.352 -1.480 4.888 151 HH21 ARG 23 1HH2 ARG 23 -8.682 -3.886 5.893 152 HH22 ARG 23 2HH2 ARG 23 -7.099 -3.236 6.156 153 H GLN 24 H GLN 24 -9.950 1.759 -0.025 154 HA GLN 24 HA GLN 24 -11.647 2.281 -2.361 155 HB2 GLN 24 1HB GLN 24 -10.671 4.347 -0.401 156 HB3 GLN 24 2HB GLN 24 -12.049 4.440 -1.489 157 HG2 GLN 24 1HG GLN 24 -12.057 2.315 0.578 158 HG3 GLN 24 2HG GLN 24 -12.324 3.979 1.095 159 HE21 GLN 24 1HE2 GLN 24 -13.989 1.391 0.653 160 HE22 GLN 24 2HE2 GLN 24 -15.418 1.988 -0.112 161 H ARG 25 H ARG 25 -10.835 3.085 -4.194 162 HA ARG 25 HA ARG 25 -8.143 3.089 -4.793 163 HB2 ARG 25 1HB ARG 25 -10.106 3.158 -6.402 164 HB3 ARG 25 2HB ARG 25 -10.150 4.896 -6.137 165 HG2 ARG 25 1HG ARG 25 -7.758 4.969 -6.898 166 HG3 ARG 25 2HG ARG 25 -7.940 3.279 -7.374 167 HD2 ARG 25 1HD ARG 25 -9.960 4.056 -8.724 168 HD3 ARG 25 2HD ARG 25 -9.361 5.693 -8.459 169 HE ARG 25 HE ARG 25 -7.424 3.854 -9.557 170 HH11 ARG 25 1HH1 ARG 25 -9.905 6.202 -10.232 171 HH12 ARG 25 2HH1 ARG 25 -9.316 6.559 -11.822 172 HH21 ARG 25 1HH2 ARG 25 -6.640 4.316 -11.649 173 HH22 ARG 25 2HH2 ARG 25 -7.460 5.485 -12.627 174 H SER 26 H SER 26 -10.126 5.687 -3.510 175 HA SER 26 HA SER 26 -8.238 7.770 -3.872 176 HB2 SER 26 1HB SER 26 -10.540 8.354 -3.514 177 HB3 SER 26 2HB SER 26 -10.582 7.480 -1.982 178 HG SER 26 HG SER 26 -9.300 9.023 -1.067 179 H ALA 27 H ALA 27 -8.518 5.217 -1.586 180 HA ALA 27 HA ALA 27 -6.916 6.476 0.455 181 HB1 ALA 27 3HB ALA 27 -8.642 4.280 0.353 182 HB2 ALA 27 1HB ALA 27 -7.047 3.612 0.699 183 HB3 ALA 27 2HB ALA 27 -7.727 4.860 1.744 184 H LEU 28 H LEU 28 -6.423 4.196 -2.178 185 HA LEU 28 HA LEU 28 -3.671 3.697 -1.431 186 HB2 LEU 28 1HB LEU 28 -4.558 1.814 -2.388 187 HB3 LEU 28 2HB LEU 28 -5.529 2.728 -3.541 188 HG LEU 28 HG LEU 28 -3.112 3.287 -4.519 189 HD11 LEU 28 1HD1 LEU 28 -2.452 1.480 -2.541 190 HD12 LEU 28 2HD1 LEU 28 -1.449 1.936 -3.918 191 HD13 LEU 28 3HD1 LEU 28 -2.472 0.503 -4.010 192 HD21 LEU 28 3HD2 LEU 28 -5.260 1.832 -5.314 193 HD22 LEU 28 1HD2 LEU 28 -3.999 0.599 -5.298 194 HD23 LEU 28 2HD2 LEU 28 -3.794 2.057 -6.270 195 H ASN 29 H ASN 29 -5.391 5.317 -4.087 196 HA ASN 29 HA ASN 29 -3.224 6.152 -5.586 197 HB2 ASN 29 1HB ASN 29 -5.989 7.187 -5.168 198 HB3 ASN 29 2HB ASN 29 -4.841 8.225 -6.007 199 HD21 ASN 29 1HD2 ASN 29 -6.974 7.485 -7.385 200 HD22 ASN 29 2HD2 ASN 29 -6.583 6.285 -8.565 201 H SER 30 H SER 30 -4.368 7.327 -2.531 202 HA SER 30 HA SER 30 -2.736 9.732 -2.659 203 HB2 SER 30 1HB SER 30 -4.821 8.669 -0.816 204 HB3 SER 30 2HB SER 30 -3.626 9.776 -0.140 205 HG SER 30 HG SER 30 -5.564 10.774 -1.033 206 H HIS 31 H HIS 31 -2.780 6.602 -1.055 207 HA HIS 31 HA HIS 31 -0.688 7.060 0.768 208 HB2 HIS 31 1HB HIS 31 -2.000 5.145 1.163 209 HB3 HIS 31 2HB HIS 31 -1.817 4.570 -0.491 210 HD1 HIS 31 HD1 HIS 31 0.071 4.819 2.758 211 HD2 HIS 31 HD2 HIS 31 0.380 2.963 -0.946 212 HE1 HIS 31 HE1 HIS 31 1.963 3.178 2.984 213 H ARG 32 H ARG 32 -0.693 5.910 -2.573 214 HA ARG 32 HA ARG 32 2.012 5.203 -2.753 215 HB2 ARG 32 1HB ARG 32 0.192 6.276 -4.916 216 HB3 ARG 32 2HB ARG 32 1.724 5.457 -5.188 217 HG2 ARG 32 1HG ARG 32 0.812 3.432 -4.142 218 HG3 ARG 32 2HG ARG 32 -0.733 4.258 -3.927 219 HD2 ARG 32 1HD ARG 32 0.634 3.623 -6.538 220 HD3 ARG 32 2HD ARG 32 -0.824 2.867 -5.898 221 HE ARG 32 HE ARG 32 -2.045 4.742 -6.504 222 HH11 ARG 32 1HH1 ARG 32 1.358 5.262 -7.025 223 HH12 ARG 32 2HH1 ARG 32 1.127 6.692 -7.974 224 HH21 ARG 32 1HH2 ARG 32 -2.362 6.624 -7.753 225 HH22 ARG 32 2HH2 ARG 32 -0.989 7.467 -8.387 226 H MET 33 H MET 33 0.486 8.280 -2.611 227 HA MET 33 HA MET 33 2.453 9.828 -3.930 228 HB2 MET 33 1HB MET 33 0.521 10.626 -1.746 229 HB3 MET 33 2HB MET 33 1.438 11.742 -2.749 230 HG2 MET 33 1HG MET 33 0.274 10.524 -4.719 231 HG3 MET 33 2HG MET 33 -0.865 9.995 -3.483 232 HE1 MET 33 3HE MET 33 -2.770 12.846 -5.392 233 HE2 MET 33 1HE MET 33 -1.873 11.410 -5.887 234 HE3 MET 33 2HE MET 33 -3.040 11.309 -4.569 235 H ILE 34 H ILE 34 2.026 8.834 -0.566 236 HA ILE 34 HA ILE 34 3.991 10.374 0.640 237 HB ILE 34 HB ILE 34 3.881 8.956 2.468 238 HG12 ILE 34 1HG1 ILE 34 3.528 6.768 0.442 239 HG13 ILE 34 2HG1 ILE 34 4.744 6.920 1.705 240 HG21 ILE 34 1HG2 ILE 34 1.336 8.138 1.101 241 HG22 ILE 34 2HG2 ILE 34 1.607 8.491 2.807 242 HG23 ILE 34 3HG2 ILE 34 1.626 9.798 1.622 243 HD11 ILE 34 3HD1 ILE 34 3.126 6.385 3.394 244 HD12 ILE 34 1HD1 ILE 34 1.826 6.386 2.202 245 HD13 ILE 34 2HD1 ILE 34 3.084 5.150 2.136 246 H HIS 35 H HIS 35 4.291 7.485 -1.309 247 HA HIS 35 HA HIS 35 7.055 7.040 -0.659 248 HB2 HIS 35 1HB HIS 35 5.360 5.923 -2.903 249 HB3 HIS 35 2HB HIS 35 6.970 5.357 -2.466 250 HD1 HIS 35 HD1 HIS 35 6.775 5.052 0.521 251 HD2 HIS 35 HD2 HIS 35 3.705 3.960 -2.057 252 HE1 HIS 35 HE1 HIS 35 5.407 3.362 1.783 253 H THR 36 H THR 36 5.387 8.032 -3.654 254 HA THR 36 HA THR 36 7.374 8.573 -5.350 255 HB THR 36 HB THR 36 6.100 10.319 -6.354 256 HG1 THR 36 HG1 THR 36 4.564 10.543 -3.970 257 HG21 THR 36 3HG2 THR 36 4.352 9.017 -6.876 258 HG22 THR 36 1HG2 THR 36 3.744 9.028 -5.222 259 HG23 THR 36 2HG2 THR 36 4.996 7.879 -5.693 260 H GLY 37 H GLY 37 9.228 9.662 -5.346 261 HA2 GLY 37 1HA GLY 37 10.171 11.121 -3.160 262 HA3 GLY 37 2HA GLY 37 10.871 11.157 -4.772 263 H GLU 38 H GLU 38 11.008 13.412 -3.310 264 HA GLU 38 HA GLU 38 8.763 15.137 -3.895 265 HB2 GLU 38 1HB GLU 38 10.062 16.876 -2.784 266 HB3 GLU 38 2HB GLU 38 10.032 15.413 -1.810 267 HG2 GLU 38 1HG GLU 38 12.277 14.842 -2.723 268 HG3 GLU 38 2HG GLU 38 12.300 16.420 -3.507 269 H LYS 39 H LYS 39 9.674 17.479 -4.680 270 HA LYS 39 HA LYS 39 10.329 18.720 -6.470 271 HB2 LYS 39 1HB LYS 39 12.396 16.582 -6.355 272 HB3 LYS 39 2HB LYS 39 12.316 17.552 -7.820 273 HG2 LYS 39 1HG LYS 39 12.497 18.776 -5.084 274 HG3 LYS 39 2HG LYS 39 13.920 18.326 -6.026 275 HD2 LYS 39 1HD LYS 39 11.786 20.065 -7.211 276 HD3 LYS 39 2HD LYS 39 13.037 20.754 -6.172 277 HE2 LYS 39 1HE LYS 39 13.574 19.100 -8.636 278 HE3 LYS 39 2HE LYS 39 13.567 20.862 -8.600 279 HZ1 LYS 39 3HZ LYS 39 15.496 18.990 -7.413 280 HZ2 LYS 39 1HZ LYS 39 15.277 20.508 -6.698 281 HZ3 LYS 39 2HZ LYS 39 15.778 20.396 -8.310 282 HA PRO 40 HA PRO 40 7.951 15.664 -9.176 283 HB2 PRO 40 1HB PRO 40 5.552 16.931 -9.053 284 HB3 PRO 40 2HB PRO 40 6.040 15.683 -7.900 285 HG2 PRO 40 1HG PRO 40 6.107 18.661 -7.607 286 HG3 PRO 40 2HG PRO 40 5.591 17.433 -6.436 287 HD2 PRO 40 1HD PRO 40 8.025 18.615 -6.332 288 HD3 PRO 40 2HD PRO 40 7.755 16.939 -5.813 289 H SER 41 H SER 41 6.412 16.450 -11.064 290 HA SER 41 HA SER 41 7.869 17.870 -12.881 291 HB2 SER 41 1HB SER 41 5.645 16.546 -13.164 292 HB3 SER 41 2HB SER 41 4.873 18.110 -12.901 293 HG SER 41 HG SER 41 5.847 18.895 -14.717 294 H GLY 42 H GLY 42 7.462 20.007 -13.872 295 HA2 GLY 42 1HA GLY 42 8.005 22.133 -12.321 296 HA3 GLY 42 2HA GLY 42 7.036 22.286 -13.779 297 HA PRO 43 HA PRO 43 3.483 23.454 -11.499 298 HB2 PRO 43 1HB PRO 43 1.474 21.957 -12.543 299 HB3 PRO 43 2HB PRO 43 2.242 23.283 -13.424 300 HG2 PRO 43 1HG PRO 43 2.730 20.337 -13.633 301 HG3 PRO 43 2HG PRO 43 2.591 21.543 -14.926 302 HD2 PRO 43 1HD PRO 43 4.979 20.615 -14.049 303 HD3 PRO 43 2HD PRO 43 4.761 22.271 -14.651 304 H SER 44 H SER 44 3.567 22.919 -9.380 305 HA SER 44 HA SER 44 3.755 20.425 -8.235 306 HB2 SER 44 1HB SER 44 2.577 23.008 -7.244 307 HB3 SER 44 2HB SER 44 2.546 21.560 -6.237 308 HG SER 44 HG SER 44 4.808 21.478 -6.389 309 H SER 45 H SER 45 2.136 19.209 -6.980 310 HA SER 45 HA SER 45 -0.454 19.156 -8.385 311 HB2 SER 45 1HB SER 45 0.934 16.843 -7.012 312 HB3 SER 45 2HB SER 45 -0.541 16.767 -7.975 313 HG SER 45 HG SER 45 0.722 17.456 -9.776 314 H GLY 46 H GLY 46 -2.128 17.875 -6.943 315 HA2 GLY 46 1HA GLY 46 -1.948 18.934 -4.192 316 HA3 GLY 46 2HA GLY 46 -3.409 19.116 -5.151 Start of MODEL 5 1 H1 GLY 1 H GLY 1 14.533 -19.799 -10.877 2 HA2 GLY 1 1HA GLY 1 15.995 -17.720 -10.610 3 HA3 GLY 1 2HA GLY 1 16.270 -17.915 -12.335 4 H SER 2 H SER 2 13.609 -17.619 -9.990 5 HA SER 2 HA SER 2 12.274 -15.808 -11.880 6 HB2 SER 2 1HB SER 2 11.070 -17.840 -12.175 7 HB3 SER 2 2HB SER 2 11.050 -18.165 -10.442 8 HG SER 2 HG SER 2 9.540 -16.613 -10.156 9 H SER 3 H SER 3 11.210 -14.090 -10.977 10 HA SER 3 HA SER 3 12.020 -13.235 -8.418 11 HB2 SER 3 1HB SER 3 10.613 -11.310 -8.787 12 HB3 SER 3 2HB SER 3 11.378 -11.730 -10.320 13 HG SER 3 HG SER 3 9.466 -12.644 -11.004 14 H GLY 4 H GLY 4 8.959 -14.569 -9.609 15 HA2 GLY 4 1HA GLY 4 7.981 -16.141 -7.850 16 HA3 GLY 4 2HA GLY 4 8.015 -14.718 -6.818 17 H SER 5 H SER 5 5.702 -16.248 -7.492 18 HA SER 5 HA SER 5 4.084 -15.480 -9.506 19 HB2 SER 5 1HB SER 5 3.557 -16.083 -6.636 20 HB3 SER 5 2HB SER 5 2.234 -15.407 -7.585 21 HG SER 5 HG SER 5 3.088 -17.205 -9.138 22 H SER 6 H SER 6 2.687 -13.790 -9.996 23 HA SER 6 HA SER 6 3.561 -11.212 -9.630 24 HB2 SER 6 1HB SER 6 1.221 -10.521 -10.284 25 HB3 SER 6 2HB SER 6 1.979 -11.687 -11.368 26 HG SER 6 HG SER 6 0.814 -13.329 -10.203 27 H GLY 7 H GLY 7 0.999 -12.880 -7.806 28 HA2 GLY 7 1HA GLY 7 1.082 -12.491 -5.348 29 HA3 GLY 7 2HA GLY 7 1.271 -10.787 -5.735 30 H THR 8 H THR 8 -0.734 -11.725 -4.046 31 HA THR 8 HA THR 8 -3.084 -10.844 -5.530 32 HB THR 8 HB THR 8 -3.116 -13.334 -5.630 33 HG1 THR 8 HG1 THR 8 -5.289 -13.467 -4.899 34 HG21 THR 8 3HG2 THR 8 -3.886 -13.578 -2.802 35 HG22 THR 8 1HG2 THR 8 -2.175 -13.259 -3.080 36 HG23 THR 8 2HG2 THR 8 -2.940 -14.666 -3.818 37 H ALA 9 H ALA 9 -4.661 -9.867 -4.258 38 HA ALA 9 HA ALA 9 -4.200 -9.728 -1.371 39 HB1 ALA 9 3HB ALA 9 -4.863 -7.111 -2.077 40 HB2 ALA 9 1HB ALA 9 -3.307 -7.699 -1.490 41 HB3 ALA 9 2HB ALA 9 -3.617 -7.602 -3.224 42 H GLU 10 H GLU 10 -6.035 -9.582 -0.183 43 HA GLU 10 HA GLU 10 -8.470 -10.358 -1.132 44 HB2 GLU 10 1HB GLU 10 -9.316 -9.921 0.960 45 HB3 GLU 10 2HB GLU 10 -7.593 -9.910 1.311 46 HG2 GLU 10 1HG GLU 10 -7.654 -7.418 1.020 47 HG3 GLU 10 2HG GLU 10 -9.411 -7.546 0.956 48 H LYS 11 H LYS 11 -7.018 -7.260 -1.442 49 HA LYS 11 HA LYS 11 -9.536 -6.176 -2.526 50 HB2 LYS 11 1HB LYS 11 -7.222 -4.634 -1.337 51 HB3 LYS 11 2HB LYS 11 -8.712 -3.942 -1.963 52 HG2 LYS 11 1HG LYS 11 -8.338 -5.623 0.496 53 HG3 LYS 11 2HG LYS 11 -8.924 -3.962 0.381 54 HD2 LYS 11 1HD LYS 11 -10.332 -6.460 -0.554 55 HD3 LYS 11 2HD LYS 11 -10.795 -5.415 0.792 56 HE2 LYS 11 1HE LYS 11 -10.853 -3.569 -1.067 57 HE3 LYS 11 2HE LYS 11 -11.027 -4.950 -2.148 58 HZ1 LYS 11 3HZ LYS 11 -13.126 -3.839 -1.208 59 HZ2 LYS 11 1HZ LYS 11 -12.767 -4.679 0.216 60 HZ3 LYS 11 2HZ LYS 11 -13.047 -5.528 -1.220 61 HA PRO 12 HA PRO 12 -7.623 -5.762 -6.457 62 HB2 PRO 12 1HB PRO 12 -8.856 -3.535 -7.402 63 HB3 PRO 12 2HB PRO 12 -9.674 -5.095 -7.249 64 HG2 PRO 12 1HG PRO 12 -9.755 -2.725 -5.421 65 HG3 PRO 12 2HG PRO 12 -11.084 -3.768 -5.960 66 HD2 PRO 12 1HD PRO 12 -9.916 -4.034 -3.532 67 HD3 PRO 12 2HD PRO 12 -10.579 -5.415 -4.428 68 H PHE 13 H PHE 13 -7.645 -2.943 -4.344 69 HA PHE 13 HA PHE 13 -5.575 -1.591 -5.834 70 HB2 PHE 13 1HB PHE 13 -6.501 -0.886 -3.054 71 HB3 PHE 13 2HB PHE 13 -5.801 0.175 -4.272 72 HD1 PHE 13 HD2 PHE 13 -8.823 -1.642 -3.249 73 HD2 PHE 13 HD1 PHE 13 -7.141 1.144 -5.991 74 HE1 PHE 13 HE2 PHE 13 -11.083 -1.021 -3.999 75 HE2 PHE 13 HE1 PHE 13 -9.398 1.771 -6.745 76 HZ PHE 13 HZ PHE 13 -11.373 0.686 -5.749 77 H ARG 14 H ARG 14 -3.442 -1.707 -5.509 78 HA ARG 14 HA ARG 14 -2.391 -2.692 -2.978 79 HB2 ARG 14 1HB ARG 14 -2.751 -4.675 -4.495 80 HB3 ARG 14 2HB ARG 14 -1.566 -3.969 -5.586 81 HG2 ARG 14 1HG ARG 14 0.105 -4.059 -3.769 82 HG3 ARG 14 2HG ARG 14 -1.090 -4.868 -2.753 83 HD2 ARG 14 1HD ARG 14 -1.171 -6.748 -4.217 84 HD3 ARG 14 2HD ARG 14 -0.211 -5.912 -5.436 85 HE ARG 14 HE ARG 14 1.663 -6.591 -4.335 86 HH11 ARG 14 1HH1 ARG 14 -1.020 -6.697 -2.120 87 HH12 ARG 14 2HH1 ARG 14 -0.100 -7.405 -0.834 88 HH21 ARG 14 1HH2 ARG 14 2.886 -7.524 -2.651 89 HH22 ARG 14 2HH2 ARG 14 2.122 -7.875 -1.137 90 H CYS 15 H CYS 15 -0.452 -1.819 -2.452 91 HA CYS 15 HA CYS 15 0.577 0.247 -4.218 92 HB2 CYS 15 1HB CYS 15 0.230 0.762 -1.841 93 HB3 CYS 15 2HB CYS 15 1.370 -0.503 -1.396 94 H ASP 16 H ASP 16 2.135 -0.171 -5.623 95 HA ASP 16 HA ASP 16 3.750 -2.556 -5.389 96 HB2 ASP 16 1HB ASP 16 4.521 -2.068 -7.593 97 HB3 ASP 16 2HB ASP 16 2.801 -1.690 -7.566 98 H THR 17 H THR 17 4.211 -0.786 -3.280 99 HA THR 17 HA THR 17 7.016 -0.071 -3.791 100 HB THR 17 HB THR 17 5.192 1.609 -2.069 101 HG1 THR 17 HG1 THR 17 4.769 1.589 -4.458 102 HG21 THR 17 3HG2 THR 17 7.462 1.872 -1.419 103 HG22 THR 17 1HG2 THR 17 7.067 3.269 -2.418 104 HG23 THR 17 2HG2 THR 17 8.006 1.939 -3.095 105 H CYS 18 H CYS 18 4.607 -0.364 -1.174 106 HA CYS 18 HA CYS 18 6.681 -1.672 0.459 107 HB2 CYS 18 1HB CYS 18 5.360 -0.951 2.426 108 HB3 CYS 18 2HB CYS 18 5.923 0.408 1.459 109 H ASP 19 H ASP 19 4.498 -2.642 -1.538 110 HA ASP 19 HA ASP 19 3.152 -4.460 -1.782 111 HB2 ASP 19 1HB ASP 19 4.963 -5.272 0.462 112 HB3 ASP 19 2HB ASP 19 3.625 -6.323 0.004 113 H LYS 20 H LYS 20 1.789 -2.444 -0.725 114 HA LYS 20 HA LYS 20 0.273 -3.587 1.526 115 HB2 LYS 20 1HB LYS 20 0.970 -0.804 0.749 116 HB3 LYS 20 2HB LYS 20 -0.608 -1.060 1.482 117 HG2 LYS 20 1HG LYS 20 0.653 -2.294 3.331 118 HG3 LYS 20 2HG LYS 20 2.105 -1.550 2.657 119 HD2 LYS 20 1HD LYS 20 1.361 0.616 3.151 120 HD3 LYS 20 2HD LYS 20 -0.309 0.088 3.369 121 HE2 LYS 20 1HE LYS 20 1.982 -0.700 5.164 122 HE3 LYS 20 2HE LYS 20 0.869 0.626 5.494 123 HZ1 LYS 20 3HZ LYS 20 -0.796 -1.442 5.011 124 HZ2 LYS 20 1HZ LYS 20 -0.320 -0.920 6.548 125 HZ3 LYS 20 2HZ LYS 20 0.486 -2.208 5.805 126 H SER 21 H SER 21 -2.095 -2.636 1.484 127 HA SER 21 HA SER 21 -3.216 -2.494 -1.188 128 HB2 SER 21 1HB SER 21 -4.884 -4.367 -0.498 129 HB3 SER 21 2HB SER 21 -3.289 -4.830 -1.090 130 HG SER 21 HG SER 21 -4.396 -5.112 1.417 131 H PHE 22 H PHE 22 -5.283 -1.612 -1.248 132 HA PHE 22 HA PHE 22 -6.440 -0.805 1.331 133 HB2 PHE 22 1HB PHE 22 -6.111 0.986 -1.086 134 HB3 PHE 22 2HB PHE 22 -6.931 1.422 0.409 135 HD1 PHE 22 HD2 PHE 22 -3.629 0.170 -0.784 136 HD2 PHE 22 HD1 PHE 22 -5.756 2.571 2.014 137 HE1 PHE 22 HE2 PHE 22 -1.496 0.968 0.148 138 HE2 PHE 22 HE1 PHE 22 -3.626 3.373 2.950 139 HZ PHE 22 HZ PHE 22 -1.493 2.571 2.017 140 H ARG 23 H ARG 23 -8.719 0.045 1.040 141 HA ARG 23 HA ARG 23 -10.124 -1.734 -0.822 142 HB2 ARG 23 1HB ARG 23 -10.506 -1.519 1.807 143 HB3 ARG 23 2HB ARG 23 -11.576 -0.222 1.292 144 HG2 ARG 23 1HG ARG 23 -12.606 -1.946 -0.290 145 HG3 ARG 23 2HG ARG 23 -11.750 -3.149 0.678 146 HD2 ARG 23 1HD ARG 23 -14.042 -2.858 1.461 147 HD3 ARG 23 2HD ARG 23 -12.881 -2.347 2.686 148 HE ARG 23 HE ARG 23 -13.619 -0.174 2.453 149 HH11 ARG 23 1HH1 ARG 23 -14.983 -2.178 -0.046 150 HH12 ARG 23 2HH1 ARG 23 -16.123 -0.982 -0.564 151 HH21 ARG 23 1HH2 ARG 23 -15.117 1.410 1.779 152 HH22 ARG 23 2HH2 ARG 23 -16.198 1.059 0.474 153 H GLN 24 H GLN 24 -9.772 1.628 0.107 154 HA GLN 24 HA GLN 24 -11.740 2.436 -1.905 155 HB2 GLN 24 1HB GLN 24 -10.264 4.272 -0.031 156 HB3 GLN 24 2HB GLN 24 -11.780 4.565 -0.872 157 HG2 GLN 24 1HG GLN 24 -12.611 2.532 0.545 158 HG3 GLN 24 2HG GLN 24 -11.249 2.963 1.578 159 HE21 GLN 24 1HE2 GLN 24 -13.816 4.660 -0.198 160 HE22 GLN 24 2HE2 GLN 24 -14.271 5.693 1.110 161 H ARG 25 H ARG 25 -11.162 3.228 -3.823 162 HA ARG 25 HA ARG 25 -8.570 3.107 -4.806 163 HB2 ARG 25 1HB ARG 25 -10.671 3.196 -6.168 164 HB3 ARG 25 2HB ARG 25 -10.759 4.920 -5.832 165 HG2 ARG 25 1HG ARG 25 -8.563 5.207 -6.927 166 HG3 ARG 25 2HG ARG 25 -8.580 3.491 -7.338 167 HD2 ARG 25 1HD ARG 25 -9.401 4.464 -9.267 168 HD3 ARG 25 2HD ARG 25 -10.879 4.032 -8.409 169 HE ARG 25 HE ARG 25 -9.957 6.704 -7.874 170 HH11 ARG 25 1HH1 ARG 25 -11.861 4.691 -9.982 171 HH12 ARG 25 2HH1 ARG 25 -12.863 5.992 -10.534 172 HH21 ARG 25 1HH2 ARG 25 -11.269 8.425 -8.594 173 HH22 ARG 25 2HH2 ARG 25 -12.524 8.116 -9.745 174 H SER 26 H SER 26 -10.256 5.736 -3.218 175 HA SER 26 HA SER 26 -8.253 7.703 -3.830 176 HB2 SER 26 1HB SER 26 -10.540 8.430 -3.470 177 HB3 SER 26 2HB SER 26 -10.546 7.726 -1.854 178 HG SER 26 HG SER 26 -10.126 10.071 -2.042 179 H ALA 27 H ALA 27 -8.492 5.172 -1.615 180 HA ALA 27 HA ALA 27 -6.906 6.414 0.466 181 HB1 ALA 27 3HB ALA 27 -8.503 4.875 1.262 182 HB2 ALA 27 1HB ALA 27 -8.018 3.646 0.093 183 HB3 ALA 27 2HB ALA 27 -6.944 4.068 1.428 184 H LEU 28 H LEU 28 -6.448 4.202 -2.220 185 HA LEU 28 HA LEU 28 -3.695 3.659 -1.482 186 HB2 LEU 28 1HB LEU 28 -4.647 1.784 -2.419 187 HB3 LEU 28 2HB LEU 28 -5.561 2.713 -3.605 188 HG LEU 28 HG LEU 28 -3.104 3.193 -4.524 189 HD11 LEU 28 1HD1 LEU 28 -1.833 1.996 -2.946 190 HD12 LEU 28 2HD1 LEU 28 -1.868 0.986 -4.391 191 HD13 LEU 28 3HD1 LEU 28 -2.907 0.599 -3.020 192 HD21 LEU 28 3HD2 LEU 28 -5.274 1.785 -5.357 193 HD22 LEU 28 1HD2 LEU 28 -4.039 0.527 -5.310 194 HD23 LEU 28 2HD2 LEU 28 -3.784 1.976 -6.283 195 H ASN 29 H ASN 29 -5.434 5.275 -4.129 196 HA ASN 29 HA ASN 29 -3.284 6.095 -5.656 197 HB2 ASN 29 1HB ASN 29 -5.968 7.362 -5.139 198 HB3 ASN 29 2HB ASN 29 -4.805 8.087 -6.245 199 HD21 ASN 29 1HD2 ASN 29 -7.066 7.500 -7.372 200 HD22 ASN 29 2HD2 ASN 29 -6.986 6.058 -8.320 201 H SER 30 H SER 30 -4.371 7.280 -2.584 202 HA SER 30 HA SER 30 -2.719 9.671 -2.741 203 HB2 SER 30 1HB SER 30 -4.792 8.636 -0.868 204 HB3 SER 30 2HB SER 30 -3.580 9.737 -0.214 205 HG SER 30 HG SER 30 -5.695 10.256 -1.843 206 H HIS 31 H HIS 31 -2.795 6.560 -1.093 207 HA HIS 31 HA HIS 31 -0.672 6.999 0.693 208 HB2 HIS 31 1HB HIS 31 -2.039 5.105 1.087 209 HB3 HIS 31 2HB HIS 31 -1.806 4.498 -0.550 210 HD1 HIS 31 HD1 HIS 31 -0.093 4.727 2.780 211 HD2 HIS 31 HD2 HIS 31 0.481 2.967 -0.940 212 HE1 HIS 31 HE1 HIS 31 1.812 3.114 3.086 213 H ARG 32 H ARG 32 -0.727 5.818 -2.638 214 HA ARG 32 HA ARG 32 1.951 5.058 -2.857 215 HB2 ARG 32 1HB ARG 32 0.141 6.216 -4.986 216 HB3 ARG 32 2HB ARG 32 1.651 5.366 -5.287 217 HG2 ARG 32 1HG ARG 32 0.717 3.336 -4.319 218 HG3 ARG 32 2HG ARG 32 -0.791 4.186 -3.979 219 HD2 ARG 32 1HD ARG 32 0.388 3.442 -6.638 220 HD3 ARG 32 2HD ARG 32 -1.187 3.011 -5.974 221 HE ARG 32 HE ARG 32 -2.006 5.077 -6.618 222 HH11 ARG 32 1HH1 ARG 32 1.436 4.919 -7.112 223 HH12 ARG 32 2HH1 ARG 32 1.497 6.362 -8.068 224 HH21 ARG 32 1HH2 ARG 32 -1.940 6.979 -7.876 225 HH22 ARG 32 2HH2 ARG 32 -0.424 7.534 -8.502 226 H MET 33 H MET 33 0.509 8.184 -2.696 227 HA MET 33 HA MET 33 2.528 9.681 -3.992 228 HB2 MET 33 1HB MET 33 0.659 10.556 -1.782 229 HB3 MET 33 2HB MET 33 1.556 11.618 -2.860 230 HG2 MET 33 1HG MET 33 0.304 10.713 -4.766 231 HG3 MET 33 2HG MET 33 -0.616 9.696 -3.660 232 HE1 MET 33 3HE MET 33 -3.334 11.175 -4.348 233 HE2 MET 33 1HE MET 33 -2.754 12.569 -5.260 234 HE3 MET 33 2HE MET 33 -2.029 10.982 -5.520 235 H ILE 34 H ILE 34 1.990 8.865 -0.576 236 HA ILE 34 HA ILE 34 4.010 10.274 0.624 237 HB ILE 34 HB ILE 34 3.831 8.876 2.449 238 HG12 ILE 34 1HG1 ILE 34 3.529 6.668 0.434 239 HG13 ILE 34 2HG1 ILE 34 4.729 6.842 1.710 240 HG21 ILE 34 1HG2 ILE 34 1.326 8.023 1.034 241 HG22 ILE 34 2HG2 ILE 34 1.555 8.408 2.739 242 HG23 ILE 34 3HG2 ILE 34 1.591 9.694 1.532 243 HD11 ILE 34 3HD1 ILE 34 1.811 6.307 2.195 244 HD12 ILE 34 1HD1 ILE 34 3.058 5.063 2.119 245 HD13 ILE 34 2HD1 ILE 34 3.114 6.292 3.383 246 H HIS 35 H HIS 35 4.278 7.508 -1.456 247 HA HIS 35 HA HIS 35 7.032 6.972 -0.754 248 HB2 HIS 35 1HB HIS 35 5.316 5.873 -2.990 249 HB3 HIS 35 2HB HIS 35 6.921 5.290 -2.561 250 HD1 HIS 35 HD1 HIS 35 6.762 4.955 0.410 251 HD2 HIS 35 HD2 HIS 35 3.619 3.962 -2.119 252 HE1 HIS 35 HE1 HIS 35 5.374 3.289 1.684 253 H THR 36 H THR 36 5.282 8.270 -3.561 254 HA THR 36 HA THR 36 7.320 8.706 -5.324 255 HB THR 36 HB THR 36 6.043 10.473 -6.310 256 HG1 THR 36 HG1 THR 36 5.124 10.802 -3.694 257 HG21 THR 36 3HG2 THR 36 5.081 8.097 -6.222 258 HG22 THR 36 1HG2 THR 36 3.981 9.403 -6.659 259 HG23 THR 36 2HG2 THR 36 3.952 8.735 -5.027 260 H GLY 37 H GLY 37 8.537 10.654 -5.878 261 HA2 GLY 37 1HA GLY 37 10.148 11.565 -3.796 262 HA3 GLY 37 2HA GLY 37 10.024 12.328 -5.375 263 H GLU 38 H GLU 38 9.343 12.601 -2.065 264 HA GLU 38 HA GLU 38 7.169 14.412 -2.151 265 HB2 GLU 38 1HB GLU 38 8.265 13.062 -0.159 266 HB3 GLU 38 2HB GLU 38 9.191 14.543 0.042 267 HG2 GLU 38 1HG GLU 38 6.779 15.626 -0.097 268 HG3 GLU 38 2HG GLU 38 6.308 14.029 0.481 269 H LYS 39 H LYS 39 7.182 16.687 -1.745 270 HA LYS 39 HA LYS 39 8.589 18.264 -3.408 271 HB2 LYS 39 1HB LYS 39 7.774 19.033 -0.599 272 HB3 LYS 39 2HB LYS 39 8.146 20.160 -1.897 273 HG2 LYS 39 1HG LYS 39 5.953 18.122 -2.116 274 HG3 LYS 39 2HG LYS 39 5.699 19.727 -1.426 275 HD2 LYS 39 1HD LYS 39 6.929 19.356 -4.141 276 HD3 LYS 39 2HD LYS 39 5.179 19.394 -3.916 277 HE2 LYS 39 1HE LYS 39 5.225 21.607 -3.119 278 HE3 LYS 39 2HE LYS 39 6.967 21.561 -2.853 279 HZ1 LYS 39 3HZ LYS 39 5.603 22.433 -5.121 280 HZ2 LYS 39 1HZ LYS 39 6.444 21.032 -5.560 281 HZ3 LYS 39 2HZ LYS 39 7.276 22.341 -4.886 282 HA PRO 40 HA PRO 40 12.810 18.326 -2.160 283 HB2 PRO 40 1HB PRO 40 13.559 20.685 -3.274 284 HB3 PRO 40 2HB PRO 40 13.253 19.228 -4.226 285 HG2 PRO 40 1HG PRO 40 11.465 21.577 -3.729 286 HG3 PRO 40 2HG PRO 40 11.760 20.696 -5.239 287 HD2 PRO 40 1HD PRO 40 9.560 20.279 -3.717 288 HD3 PRO 40 2HD PRO 40 10.317 18.990 -4.674 289 H SER 41 H SER 41 14.172 19.230 -0.630 290 HA SER 41 HA SER 41 12.886 20.912 1.337 291 HB2 SER 41 1HB SER 41 14.809 20.445 2.731 292 HB3 SER 41 2HB SER 41 14.292 18.943 1.966 293 HG SER 41 HG SER 41 16.680 19.902 1.929 294 H GLY 42 H GLY 42 13.207 23.030 1.660 295 HA2 GLY 42 1HA GLY 42 14.347 24.682 -0.255 296 HA3 GLY 42 2HA GLY 42 14.021 25.161 1.404 297 HA PRO 43 HA PRO 43 18.281 25.280 2.429 298 HB2 PRO 43 1HB PRO 43 18.542 23.787 4.681 299 HB3 PRO 43 2HB PRO 43 17.733 25.358 4.659 300 HG2 PRO 43 1HG PRO 43 16.541 22.612 4.596 301 HG3 PRO 43 2HG PRO 43 16.026 24.035 5.521 302 HD2 PRO 43 1HD PRO 43 14.803 23.265 3.231 303 HD3 PRO 43 2HD PRO 43 14.933 24.967 3.719 304 H SER 44 H SER 44 20.114 24.354 1.728 305 HA SER 44 HA SER 44 20.039 21.713 0.626 306 HB2 SER 44 1HB SER 44 22.144 23.852 0.821 307 HB3 SER 44 2HB SER 44 22.552 22.237 0.244 308 HG SER 44 HG SER 44 20.320 23.455 -0.883 309 H SER 45 H SER 45 19.649 20.385 2.441 310 HA SER 45 HA SER 45 22.078 19.757 3.942 311 HB2 SER 45 1HB SER 45 20.459 21.294 5.264 312 HB3 SER 45 2HB SER 45 19.448 19.855 5.399 313 HG SER 45 HG SER 45 21.129 18.812 6.455 314 H GLY 46 H GLY 46 22.048 17.616 4.900 315 HA2 GLY 46 1HA GLY 46 20.606 15.560 5.145 316 HA3 GLY 46 2HA GLY 46 20.209 15.814 3.452 Start of MODEL 6 1 H1 GLY 1 H GLY 1 15.065 -12.262 -15.370 2 HA2 GLY 1 1HA GLY 1 13.165 -10.613 -15.444 3 HA3 GLY 1 2HA GLY 1 12.808 -11.305 -17.020 4 H SER 2 H SER 2 10.673 -11.671 -16.067 5 HA SER 2 HA SER 2 10.399 -14.365 -15.188 6 HB2 SER 2 1HB SER 2 10.997 -12.894 -13.081 7 HB3 SER 2 2HB SER 2 9.295 -12.443 -13.176 8 HG SER 2 HG SER 2 8.841 -14.738 -13.165 9 H SER 3 H SER 3 8.500 -15.128 -15.879 10 HA SER 3 HA SER 3 6.610 -13.263 -17.051 11 HB2 SER 3 1HB SER 3 5.491 -15.383 -17.856 12 HB3 SER 3 2HB SER 3 7.150 -15.160 -18.411 13 HG SER 3 HG SER 3 6.192 -16.881 -16.382 14 H GLY 4 H GLY 4 4.208 -13.885 -16.788 15 HA2 GLY 4 1HA GLY 4 2.502 -14.747 -15.315 16 HA3 GLY 4 2HA GLY 4 3.646 -14.615 -13.989 17 H SER 5 H SER 5 4.308 -12.405 -13.366 18 HA SER 5 HA SER 5 3.692 -10.384 -12.507 19 HB2 SER 5 1HB SER 5 4.154 -9.830 -14.923 20 HB3 SER 5 2HB SER 5 2.419 -9.946 -15.216 21 HG SER 5 HG SER 5 3.748 -8.144 -13.472 22 H SER 6 H SER 6 1.935 -12.447 -11.846 23 HA SER 6 HA SER 6 -0.738 -11.265 -12.079 24 HB2 SER 6 1HB SER 6 0.174 -14.002 -11.169 25 HB3 SER 6 2HB SER 6 -1.503 -13.458 -11.117 26 HG SER 6 HG SER 6 0.042 -14.235 -13.265 27 H GLY 7 H GLY 7 -1.144 -9.806 -10.542 28 HA2 GLY 7 1HA GLY 7 0.122 -9.835 -7.981 29 HA3 GLY 7 2HA GLY 7 -1.178 -8.765 -8.487 30 H THR 8 H THR 8 -0.900 -10.010 -5.925 31 HA THR 8 HA THR 8 -3.456 -11.434 -5.863 32 HB THR 8 HB THR 8 -2.598 -13.108 -4.284 33 HG1 THR 8 HG1 THR 8 -0.324 -13.265 -3.993 34 HG21 THR 8 3HG2 THR 8 -2.674 -13.864 -6.521 35 HG22 THR 8 1HG2 THR 8 -1.084 -14.335 -5.922 36 HG23 THR 8 2HG2 THR 8 -1.249 -12.926 -6.969 37 H ALA 9 H ALA 9 -4.741 -10.431 -4.474 38 HA ALA 9 HA ALA 9 -3.921 -9.771 -1.823 39 HB1 ALA 9 3HB ALA 9 -3.146 -7.716 -2.176 40 HB2 ALA 9 1HB ALA 9 -3.680 -7.731 -3.857 41 HB3 ALA 9 2HB ALA 9 -4.797 -7.248 -2.580 42 H GLU 10 H GLU 10 -5.653 -9.464 -0.464 43 HA GLU 10 HA GLU 10 -8.153 -10.429 -1.268 44 HB2 GLU 10 1HB GLU 10 -8.841 -10.111 0.925 45 HB3 GLU 10 2HB GLU 10 -7.096 -10.239 1.099 46 HG2 GLU 10 1HG GLU 10 -6.888 -7.850 1.274 47 HG3 GLU 10 2HG GLU 10 -8.608 -7.642 0.948 48 H LYS 11 H LYS 11 -6.771 -7.368 -1.687 49 HA LYS 11 HA LYS 11 -9.415 -6.214 -2.295 50 HB2 LYS 11 1HB LYS 11 -6.957 -4.678 -1.439 51 HB3 LYS 11 2HB LYS 11 -8.572 -4.030 -1.696 52 HG2 LYS 11 1HG LYS 11 -7.705 -5.921 0.479 53 HG3 LYS 11 2HG LYS 11 -8.168 -4.226 0.657 54 HD2 LYS 11 1HD LYS 11 -9.918 -6.562 -0.082 55 HD3 LYS 11 2HD LYS 11 -10.041 -5.514 1.334 56 HE2 LYS 11 1HE LYS 11 -10.396 -3.618 -0.372 57 HE3 LYS 11 2HE LYS 11 -10.719 -4.911 -1.525 58 HZ1 LYS 11 3HZ LYS 11 -12.536 -3.784 0.155 59 HZ2 LYS 11 1HZ LYS 11 -12.152 -5.237 0.933 60 HZ3 LYS 11 2HZ LYS 11 -12.724 -5.255 -0.659 61 HA PRO 12 HA PRO 12 -8.076 -5.618 -6.434 62 HB2 PRO 12 1HB PRO 12 -9.443 -3.368 -7.096 63 HB3 PRO 12 2HB PRO 12 -10.222 -4.943 -6.900 64 HG2 PRO 12 1HG PRO 12 -10.060 -2.656 -4.974 65 HG3 PRO 12 2HG PRO 12 -11.445 -3.692 -5.368 66 HD2 PRO 12 1HD PRO 12 -9.944 -4.048 -3.142 67 HD3 PRO 12 2HD PRO 12 -10.718 -5.397 -3.998 68 H PHE 13 H PHE 13 -7.509 -3.213 -4.028 69 HA PHE 13 HA PHE 13 -5.655 -1.776 -5.798 70 HB2 PHE 13 1HB PHE 13 -6.579 -0.918 -3.054 71 HB3 PHE 13 2HB PHE 13 -5.765 0.063 -4.267 72 HD1 PHE 13 HD2 PHE 13 -8.933 -1.457 -3.255 73 HD2 PHE 13 HD1 PHE 13 -6.968 0.970 -6.148 74 HE1 PHE 13 HE2 PHE 13 -11.117 -0.728 -4.123 75 HE2 PHE 13 HE1 PHE 13 -9.149 1.704 -7.019 76 HZ PHE 13 HZ PHE 13 -11.227 0.854 -6.007 77 H ARG 14 H ARG 14 -3.504 -1.748 -5.424 78 HA ARG 14 HA ARG 14 -2.430 -2.689 -2.896 79 HB2 ARG 14 1HB ARG 14 -2.803 -4.729 -4.324 80 HB3 ARG 14 2HB ARG 14 -1.643 -4.063 -5.467 81 HG2 ARG 14 1HG ARG 14 0.060 -4.068 -3.667 82 HG3 ARG 14 2HG ARG 14 -1.111 -4.865 -2.615 83 HD2 ARG 14 1HD ARG 14 0.457 -6.450 -3.668 84 HD3 ARG 14 2HD ARG 14 -1.222 -6.759 -4.109 85 HE ARG 14 HE ARG 14 0.907 -5.864 -5.856 86 HH11 ARG 14 1HH1 ARG 14 -2.520 -6.270 -5.395 87 HH12 ARG 14 2HH1 ARG 14 -2.882 -6.245 -7.089 88 HH21 ARG 14 1HH2 ARG 14 0.442 -5.829 -8.088 89 HH22 ARG 14 2HH2 ARG 14 -1.196 -5.995 -8.620 90 H CYS 15 H CYS 15 -0.469 -1.819 -2.429 91 HA CYS 15 HA CYS 15 0.531 0.196 -4.268 92 HB2 CYS 15 1HB CYS 15 0.242 0.794 -1.912 93 HB3 CYS 15 2HB CYS 15 1.354 -0.486 -1.438 94 H ASP 16 H ASP 16 2.066 -0.253 -5.688 95 HA ASP 16 HA ASP 16 3.671 -2.643 -5.437 96 HB2 ASP 16 1HB ASP 16 2.739 -1.926 -7.621 97 HB3 ASP 16 2HB ASP 16 3.750 -0.485 -7.556 98 H THR 17 H THR 17 4.171 -0.827 -3.369 99 HA THR 17 HA THR 17 6.974 -0.141 -3.936 100 HB THR 17 HB THR 17 5.132 1.574 -2.261 101 HG1 THR 17 HG1 THR 17 6.234 2.512 -4.649 102 HG21 THR 17 3HG2 THR 17 7.150 2.165 -1.419 103 HG22 THR 17 1HG2 THR 17 7.242 3.130 -2.892 104 HG23 THR 17 2HG2 THR 17 8.032 1.554 -2.819 105 H CYS 18 H CYS 18 4.606 -0.386 -1.276 106 HA CYS 18 HA CYS 18 6.706 -1.662 0.350 107 HB2 CYS 18 1HB CYS 18 5.365 -0.941 2.318 108 HB3 CYS 18 2HB CYS 18 5.950 0.408 1.348 109 H ASP 19 H ASP 19 4.361 -2.578 -1.581 110 HA ASP 19 HA ASP 19 3.094 -4.454 -1.805 111 HB2 ASP 19 1HB ASP 19 4.963 -5.199 0.398 112 HB3 ASP 19 2HB ASP 19 3.580 -6.247 0.094 113 H LYS 20 H LYS 20 1.854 -2.319 -0.630 114 HA LYS 20 HA LYS 20 0.312 -3.440 1.603 115 HB2 LYS 20 1HB LYS 20 1.002 -0.689 0.728 116 HB3 LYS 20 2HB LYS 20 -0.587 -0.911 1.448 117 HG2 LYS 20 1HG LYS 20 0.641 -2.076 3.362 118 HG3 LYS 20 2HG LYS 20 2.107 -1.367 2.680 119 HD2 LYS 20 1HD LYS 20 1.357 0.824 3.065 120 HD3 LYS 20 2HD LYS 20 -0.312 0.302 3.305 121 HE2 LYS 20 1HE LYS 20 0.451 0.757 5.463 122 HE3 LYS 20 2HE LYS 20 0.592 -0.994 5.325 123 HZ1 LYS 20 3HZ LYS 20 2.951 -0.699 4.799 124 HZ2 LYS 20 1HZ LYS 20 2.566 -0.075 6.323 125 HZ3 LYS 20 2HZ LYS 20 2.796 0.972 5.015 126 H SER 21 H SER 21 -2.063 -2.504 1.555 127 HA SER 21 HA SER 21 -3.229 -2.439 -1.093 128 HB2 SER 21 1HB SER 21 -4.817 -4.350 -0.459 129 HB3 SER 21 2HB SER 21 -3.175 -4.798 -0.919 130 HG SER 21 HG SER 21 -4.139 -5.745 1.089 131 H PHE 22 H PHE 22 -5.321 -1.615 -1.126 132 HA PHE 22 HA PHE 22 -6.460 -0.825 1.466 133 HB2 PHE 22 1HB PHE 22 -6.203 0.967 -0.958 134 HB3 PHE 22 2HB PHE 22 -7.020 1.387 0.544 135 HD1 PHE 22 HD2 PHE 22 -3.698 0.114 -0.587 136 HD2 PHE 22 HD1 PHE 22 -5.858 2.671 2.041 137 HE1 PHE 22 HE2 PHE 22 -1.576 0.966 0.321 138 HE2 PHE 22 HE1 PHE 22 -3.740 3.528 2.953 139 HZ PHE 22 HZ PHE 22 -1.595 2.675 2.094 140 H ARG 23 H ARG 23 -8.740 0.274 0.918 141 HA ARG 23 HA ARG 23 -10.149 -1.681 -0.772 142 HB2 ARG 23 1HB ARG 23 -11.271 -0.027 1.496 143 HB3 ARG 23 2HB ARG 23 -12.104 -1.300 0.614 144 HG2 ARG 23 1HG ARG 23 -10.170 -2.806 1.455 145 HG3 ARG 23 2HG ARG 23 -9.924 -1.522 2.641 146 HD2 ARG 23 1HD ARG 23 -12.659 -2.643 2.207 147 HD3 ARG 23 2HD ARG 23 -11.495 -3.531 3.189 148 HE ARG 23 HE ARG 23 -11.651 -0.824 4.014 149 HH11 ARG 23 1HH1 ARG 23 -13.367 -3.850 4.150 150 HH12 ARG 23 2HH1 ARG 23 -14.171 -3.477 5.639 151 HH21 ARG 23 1HH2 ARG 23 -12.704 -0.321 5.975 152 HH22 ARG 23 2HH2 ARG 23 -13.794 -1.469 6.675 153 H GLN 24 H GLN 24 -9.889 1.738 0.042 154 HA GLN 24 HA GLN 24 -11.730 2.416 -2.132 155 HB2 GLN 24 1HB GLN 24 -10.457 4.341 -0.195 156 HB3 GLN 24 2HB GLN 24 -11.891 4.587 -1.183 157 HG2 GLN 24 1HG GLN 24 -11.837 2.444 0.898 158 HG3 GLN 24 2HG GLN 24 -12.152 4.122 1.341 159 HE21 GLN 24 1HE2 GLN 24 -14.246 3.635 1.999 160 HE22 GLN 24 2HE2 GLN 24 -15.510 3.305 0.868 161 H ARG 25 H ARG 25 -11.052 3.227 -4.016 162 HA ARG 25 HA ARG 25 -8.416 3.119 -4.849 163 HB2 ARG 25 1HB ARG 25 -10.447 3.234 -6.319 164 HB3 ARG 25 2HB ARG 25 -10.525 4.959 -5.985 165 HG2 ARG 25 1HG ARG 25 -8.524 5.384 -7.134 166 HG3 ARG 25 2HG ARG 25 -8.080 3.676 -7.156 167 HD2 ARG 25 1HD ARG 25 -9.836 3.178 -8.710 168 HD3 ARG 25 2HD ARG 25 -10.484 4.812 -8.573 169 HE ARG 25 HE ARG 25 -7.967 5.232 -9.453 170 HH11 ARG 25 1HH1 ARG 25 -10.560 3.183 -10.549 171 HH12 ARG 25 2HH1 ARG 25 -10.082 3.248 -12.213 172 HH21 ARG 25 1HH2 ARG 25 -7.328 5.324 -11.640 173 HH22 ARG 25 2HH2 ARG 25 -8.243 4.465 -12.832 174 H SER 26 H SER 26 -10.183 5.764 -3.370 175 HA SER 26 HA SER 26 -8.184 7.745 -3.865 176 HB2 SER 26 1HB SER 26 -10.428 8.505 -3.510 177 HB3 SER 26 2HB SER 26 -10.539 7.650 -1.972 178 HG SER 26 HG SER 26 -9.824 9.416 -1.109 179 H ALA 27 H ALA 27 -8.470 5.184 -1.656 180 HA ALA 27 HA ALA 27 -6.871 6.388 0.432 181 HB1 ALA 27 3HB ALA 27 -7.461 3.459 0.217 182 HB2 ALA 27 1HB ALA 27 -7.224 4.445 1.660 183 HB3 ALA 27 2HB ALA 27 -8.705 4.604 0.716 184 H LEU 28 H LEU 28 -6.418 4.145 -2.242 185 HA LEU 28 HA LEU 28 -3.660 3.626 -1.510 186 HB2 LEU 28 1HB LEU 28 -4.572 1.735 -2.431 187 HB3 LEU 28 2HB LEU 28 -5.545 2.639 -3.590 188 HG LEU 28 HG LEU 28 -3.155 3.170 -4.613 189 HD11 LEU 28 1HD1 LEU 28 -2.524 0.394 -3.925 190 HD12 LEU 28 2HD1 LEU 28 -2.375 1.534 -2.588 191 HD13 LEU 28 3HD1 LEU 28 -1.468 1.798 -4.076 192 HD21 LEU 28 3HD2 LEU 28 -3.789 1.819 -6.308 193 HD22 LEU 28 1HD2 LEU 28 -5.280 1.713 -5.372 194 HD23 LEU 28 2HD2 LEU 28 -4.069 0.437 -5.248 195 H ASN 29 H ASN 29 -5.409 5.210 -4.169 196 HA ASN 29 HA ASN 29 -3.261 6.023 -5.706 197 HB2 ASN 29 1HB ASN 29 -6.020 7.061 -5.267 198 HB3 ASN 29 2HB ASN 29 -4.882 8.098 -6.122 199 HD21 ASN 29 1HD2 ASN 29 -7.009 7.365 -7.493 200 HD22 ASN 29 2HD2 ASN 29 -6.632 6.153 -8.665 201 H SER 30 H SER 30 -4.351 7.230 -2.645 202 HA SER 30 HA SER 30 -2.693 9.619 -2.830 203 HB2 SER 30 1HB SER 30 -4.762 10.047 -1.766 204 HB3 SER 30 2HB SER 30 -4.645 8.596 -0.772 205 HG SER 30 HG SER 30 -2.904 10.830 -0.581 206 H HIS 31 H HIS 31 -2.834 6.555 -1.093 207 HA HIS 31 HA HIS 31 -0.753 6.997 0.722 208 HB2 HIS 31 1HB HIS 31 -2.065 5.096 1.131 209 HB3 HIS 31 2HB HIS 31 -1.904 4.515 -0.524 210 HD1 HIS 31 HD1 HIS 31 -0.078 4.641 2.748 211 HD2 HIS 31 HD2 HIS 31 0.355 2.970 -1.031 212 HE1 HIS 31 HE1 HIS 31 1.813 2.995 2.953 213 H ARG 32 H ARG 32 -0.713 5.959 -2.638 214 HA ARG 32 HA ARG 32 1.966 5.142 -2.787 215 HB2 ARG 32 1HB ARG 32 0.232 6.367 -4.941 216 HB3 ARG 32 2HB ARG 32 1.742 5.509 -5.216 217 HG2 ARG 32 1HG ARG 32 0.474 3.605 -3.882 218 HG3 ARG 32 2HG ARG 32 -0.937 4.463 -4.505 219 HD2 ARG 32 1HD ARG 32 -0.412 2.792 -6.098 220 HD3 ARG 32 2HD ARG 32 0.130 4.323 -6.784 221 HE ARG 32 HE ARG 32 2.251 3.099 -5.389 222 HH11 ARG 32 1HH1 ARG 32 0.368 2.766 -8.298 223 HH12 ARG 32 2HH1 ARG 32 1.637 1.990 -9.187 224 HH21 ARG 32 1HH2 ARG 32 3.930 2.077 -6.548 225 HH22 ARG 32 2HH2 ARG 32 3.662 1.598 -8.190 226 H MET 33 H MET 33 0.509 8.293 -2.738 227 HA MET 33 HA MET 33 2.580 9.796 -3.891 228 HB2 MET 33 1HB MET 33 0.599 10.581 -1.746 229 HB3 MET 33 2HB MET 33 1.609 11.708 -2.642 230 HG2 MET 33 1HG MET 33 0.466 10.516 -4.708 231 HG3 MET 33 2HG MET 33 -0.786 10.197 -3.511 232 HE1 MET 33 3HE MET 33 -2.829 13.217 -3.543 233 HE2 MET 33 1HE MET 33 -2.697 11.460 -3.622 234 HE3 MET 33 2HE MET 33 -2.136 12.322 -2.189 235 H ILE 34 H ILE 34 1.978 8.870 -0.519 236 HA ILE 34 HA ILE 34 3.971 10.254 0.764 237 HB ILE 34 HB ILE 34 3.762 8.798 2.545 238 HG12 ILE 34 1HG1 ILE 34 3.475 6.662 0.454 239 HG13 ILE 34 2HG1 ILE 34 4.642 6.775 1.767 240 HG21 ILE 34 1HG2 ILE 34 1.479 8.368 2.795 241 HG22 ILE 34 2HG2 ILE 34 1.544 9.669 1.607 242 HG23 ILE 34 3HG2 ILE 34 1.266 8.009 1.082 243 HD11 ILE 34 3HD1 ILE 34 2.965 5.005 2.095 244 HD12 ILE 34 1HD1 ILE 34 2.950 6.215 3.377 245 HD13 ILE 34 2HD1 ILE 34 1.705 6.238 2.127 246 H HIS 35 H HIS 35 4.273 7.523 -1.364 247 HA HIS 35 HA HIS 35 7.031 7.013 -0.634 248 HB2 HIS 35 1HB HIS 35 5.340 5.864 -2.865 249 HB3 HIS 35 2HB HIS 35 6.947 5.304 -2.413 250 HD1 HIS 35 HD1 HIS 35 6.781 4.984 0.548 251 HD2 HIS 35 HD2 HIS 35 3.635 3.974 -1.970 252 HE1 HIS 35 HE1 HIS 35 5.394 3.329 1.837 253 H THR 36 H THR 36 6.758 9.628 -1.394 254 HA THR 36 HA THR 36 8.296 9.670 -3.895 255 HB THR 36 HB THR 36 7.150 11.631 -4.703 256 HG1 THR 36 HG1 THR 36 5.606 12.667 -3.534 257 HG21 THR 36 3HG2 THR 36 5.448 9.284 -3.958 258 HG22 THR 36 1HG2 THR 36 6.052 9.768 -5.542 259 HG23 THR 36 2HG2 THR 36 4.733 10.665 -4.789 260 H GLY 37 H GLY 37 9.541 11.697 -4.176 261 HA2 GLY 37 1HA GLY 37 9.984 13.288 -1.786 262 HA3 GLY 37 2HA GLY 37 11.324 12.254 -2.258 263 H GLU 38 H GLU 38 11.475 12.433 -4.911 264 HA GLU 38 HA GLU 38 12.931 14.572 -5.546 265 HB2 GLU 38 1HB GLU 38 12.260 12.624 -7.052 266 HB3 GLU 38 2HB GLU 38 10.858 13.586 -7.499 267 HG2 GLU 38 1HG GLU 38 12.198 15.257 -8.491 268 HG3 GLU 38 2HG GLU 38 13.672 14.591 -7.789 269 H LYS 39 H LYS 39 12.696 16.674 -6.242 270 HA LYS 39 HA LYS 39 10.063 17.873 -5.721 271 HB2 LYS 39 1HB LYS 39 12.162 18.590 -4.423 272 HB3 LYS 39 2HB LYS 39 12.666 19.375 -5.914 273 HG2 LYS 39 1HG LYS 39 10.929 20.920 -5.834 274 HG3 LYS 39 2HG LYS 39 9.985 19.942 -4.707 275 HD2 LYS 39 1HD LYS 39 11.552 20.406 -2.929 276 HD3 LYS 39 2HD LYS 39 12.614 21.268 -4.044 277 HE2 LYS 39 1HE LYS 39 10.757 22.881 -4.450 278 HE3 LYS 39 2HE LYS 39 9.834 22.066 -3.189 279 HZ1 LYS 39 3HZ LYS 39 10.998 23.075 -1.595 280 HZ2 LYS 39 1HZ LYS 39 11.520 24.144 -2.799 281 HZ3 LYS 39 2HZ LYS 39 12.483 22.823 -2.366 282 HA PRO 40 HA PRO 40 9.677 18.644 -10.063 283 HB2 PRO 40 1HB PRO 40 7.563 20.341 -9.918 284 HB3 PRO 40 2HB PRO 40 7.408 18.594 -9.704 285 HG2 PRO 40 1HG PRO 40 7.556 20.749 -7.632 286 HG3 PRO 40 2HG PRO 40 6.494 19.330 -7.697 287 HD2 PRO 40 1HD PRO 40 8.718 19.417 -6.154 288 HD3 PRO 40 2HD PRO 40 8.128 17.916 -6.894 289 H SER 41 H SER 41 10.711 20.822 -7.731 290 HA SER 41 HA SER 41 11.691 22.877 -7.775 291 HB2 SER 41 1HB SER 41 12.272 21.839 -10.542 292 HB3 SER 41 2HB SER 41 12.852 23.420 -10.017 293 HG SER 41 HG SER 41 14.448 22.299 -9.229 294 H GLY 42 H GLY 42 8.907 22.894 -8.139 295 HA2 GLY 42 1HA GLY 42 8.445 24.940 -10.196 296 HA3 GLY 42 2HA GLY 42 7.200 24.013 -9.372 297 HA PRO 43 HA PRO 43 7.179 28.196 -7.464 298 HB2 PRO 43 1HB PRO 43 4.479 28.293 -7.196 299 HB3 PRO 43 2HB PRO 43 5.314 28.757 -8.683 300 HG2 PRO 43 1HG PRO 43 3.937 26.186 -8.007 301 HG3 PRO 43 2HG PRO 43 3.886 27.120 -9.514 302 HD2 PRO 43 1HD PRO 43 5.440 24.923 -9.213 303 HD3 PRO 43 2HD PRO 43 5.909 26.290 -10.243 304 H SER 44 H SER 44 6.911 28.735 -5.314 305 HA SER 44 HA SER 44 6.049 26.551 -3.533 306 HB2 SER 44 1HB SER 44 7.686 27.385 -1.888 307 HB3 SER 44 2HB SER 44 8.472 26.920 -3.397 308 HG SER 44 HG SER 44 8.811 29.010 -3.885 309 H SER 45 H SER 45 4.188 28.342 -4.480 310 HA SER 45 HA SER 45 3.792 30.639 -2.922 311 HB2 SER 45 1HB SER 45 2.549 30.333 -4.971 312 HB3 SER 45 2HB SER 45 1.795 28.866 -4.346 313 HG SER 45 HG SER 45 1.473 31.166 -2.827 314 H GLY 46 H GLY 46 2.612 27.317 -2.496 315 HA2 GLY 46 1HA GLY 46 1.389 26.399 -0.740 316 HA3 GLY 46 2HA GLY 46 2.783 26.995 0.149 Start of MODEL 7 1 H1 GLY 1 H GLY 1 13.278 -21.730 -16.789 2 HA2 GLY 1 1HA GLY 1 11.279 -23.671 -17.714 3 HA3 GLY 1 2HA GLY 1 12.071 -23.678 -16.145 4 H SER 2 H SER 2 9.309 -23.966 -16.461 5 HA SER 2 HA SER 2 7.891 -21.541 -16.155 6 HB2 SER 2 1HB SER 2 6.006 -22.870 -15.651 7 HB3 SER 2 2HB SER 2 6.970 -23.872 -16.735 8 HG SER 2 HG SER 2 7.861 -24.468 -14.392 9 H SER 3 H SER 3 6.929 -20.650 -14.268 10 HA SER 3 HA SER 3 8.335 -21.326 -11.767 11 HB2 SER 3 1HB SER 3 9.224 -19.228 -12.552 12 HB3 SER 3 2HB SER 3 7.604 -18.593 -12.839 13 HG SER 3 HG SER 3 8.985 -18.287 -10.683 14 H GLY 4 H GLY 4 7.039 -21.918 -10.163 15 HA2 GLY 4 1HA GLY 4 4.171 -21.285 -10.387 16 HA3 GLY 4 2HA GLY 4 4.846 -22.639 -9.491 17 H SER 5 H SER 5 2.970 -20.696 -8.519 18 HA SER 5 HA SER 5 4.132 -20.120 -6.018 19 HB2 SER 5 1HB SER 5 4.374 -17.755 -6.057 20 HB3 SER 5 2HB SER 5 5.212 -18.343 -7.494 21 HG SER 5 HG SER 5 3.602 -16.486 -7.632 22 H SER 6 H SER 6 2.640 -18.451 -4.795 23 HA SER 6 HA SER 6 -0.086 -18.361 -5.706 24 HB2 SER 6 1HB SER 6 -0.985 -19.676 -3.779 25 HB3 SER 6 2HB SER 6 -0.072 -20.654 -4.928 26 HG SER 6 HG SER 6 0.695 -19.761 -2.362 27 H GLY 7 H GLY 7 -0.680 -16.384 -5.128 28 HA2 GLY 7 1HA GLY 7 -0.900 -15.496 -2.497 29 HA3 GLY 7 2HA GLY 7 0.622 -14.873 -3.118 30 H THR 8 H THR 8 -2.045 -13.629 -2.356 31 HA THR 8 HA THR 8 -2.026 -11.566 -4.283 32 HB THR 8 HB THR 8 -3.165 -13.221 -5.693 33 HG1 THR 8 HG1 THR 8 -3.770 -10.942 -5.739 34 HG21 THR 8 3HG2 THR 8 -4.975 -13.412 -3.317 35 HG22 THR 8 1HG2 THR 8 -4.281 -14.700 -4.300 36 HG23 THR 8 2HG2 THR 8 -5.607 -13.724 -4.934 37 H ALA 9 H ALA 9 -3.194 -9.784 -3.616 38 HA ALA 9 HA ALA 9 -3.988 -9.758 -0.868 39 HB1 ALA 9 3HB ALA 9 -4.833 -7.365 -2.022 40 HB2 ALA 9 1HB ALA 9 -3.327 -7.657 -1.152 41 HB3 ALA 9 2HB ALA 9 -3.377 -7.818 -2.908 42 H GLU 10 H GLU 10 -6.043 -9.280 -0.013 43 HA GLU 10 HA GLU 10 -8.212 -10.487 -1.448 44 HB2 GLU 10 1HB GLU 10 -8.652 -8.942 1.069 45 HB3 GLU 10 2HB GLU 10 -9.372 -10.459 0.548 46 HG2 GLU 10 1HG GLU 10 -6.600 -10.032 1.628 47 HG3 GLU 10 2HG GLU 10 -7.930 -10.898 2.394 48 H LYS 11 H LYS 11 -6.901 -7.424 -1.459 49 HA LYS 11 HA LYS 11 -9.464 -6.190 -2.225 50 HB2 LYS 11 1HB LYS 11 -6.926 -4.813 -1.329 51 HB3 LYS 11 2HB LYS 11 -8.461 -4.034 -1.690 52 HG2 LYS 11 1HG LYS 11 -7.737 -5.770 0.638 53 HG3 LYS 11 2HG LYS 11 -8.401 -4.135 0.633 54 HD2 LYS 11 1HD LYS 11 -9.851 -6.640 -0.223 55 HD3 LYS 11 2HD LYS 11 -10.090 -5.772 1.295 56 HE2 LYS 11 1HE LYS 11 -10.543 -3.742 -0.303 57 HE3 LYS 11 2HE LYS 11 -10.880 -5.011 -1.480 58 HZ1 LYS 11 3HZ LYS 11 -12.845 -4.194 -0.199 59 HZ2 LYS 11 1HZ LYS 11 -12.169 -4.891 1.187 60 HZ3 LYS 11 2HZ LYS 11 -12.602 -5.866 -0.125 61 HA PRO 12 HA PRO 12 -8.064 -5.754 -6.366 62 HB2 PRO 12 1HB PRO 12 -9.355 -3.479 -7.093 63 HB3 PRO 12 2HB PRO 12 -10.184 -5.024 -6.869 64 HG2 PRO 12 1HG PRO 12 -9.970 -2.700 -4.994 65 HG3 PRO 12 2HG PRO 12 -11.382 -3.701 -5.378 66 HD2 PRO 12 1HD PRO 12 -9.915 -4.053 -3.129 67 HD3 PRO 12 2HD PRO 12 -10.723 -5.397 -3.963 68 H PHE 13 H PHE 13 -7.653 -3.088 -4.132 69 HA PHE 13 HA PHE 13 -5.692 -1.808 -5.876 70 HB2 PHE 13 1HB PHE 13 -6.494 -0.879 -3.124 71 HB3 PHE 13 2HB PHE 13 -5.803 0.068 -4.437 72 HD1 PHE 13 HD2 PHE 13 -8.843 -1.477 -3.117 73 HD2 PHE 13 HD1 PHE 13 -7.173 0.880 -6.243 74 HE1 PHE 13 HE2 PHE 13 -11.106 -0.827 -3.831 75 HE2 PHE 13 HE1 PHE 13 -9.434 1.534 -6.962 76 HZ PHE 13 HZ PHE 13 -11.404 0.680 -5.756 77 H ARG 14 H ARG 14 -3.534 -1.753 -5.488 78 HA ARG 14 HA ARG 14 -2.468 -2.747 -2.975 79 HB2 ARG 14 1HB ARG 14 -2.805 -4.763 -4.409 80 HB3 ARG 14 2HB ARG 14 -1.711 -4.056 -5.591 81 HG2 ARG 14 1HG ARG 14 0.092 -4.087 -3.939 82 HG3 ARG 14 2HG ARG 14 -1.008 -4.807 -2.761 83 HD2 ARG 14 1HD ARG 14 -1.325 -6.721 -4.304 84 HD3 ARG 14 2HD ARG 14 -0.122 -6.012 -5.380 85 HE ARG 14 HE ARG 14 1.245 -6.178 -3.094 86 HH11 ARG 14 1HH1 ARG 14 -0.776 -8.493 -4.730 87 HH12 ARG 14 2HH1 ARG 14 0.100 -9.868 -4.143 88 HH21 ARG 14 1HH2 ARG 14 2.407 -7.980 -2.315 89 HH22 ARG 14 2HH2 ARG 14 1.910 -9.575 -2.769 90 H CYS 15 H CYS 15 -0.566 -1.812 -2.452 91 HA CYS 15 HA CYS 15 0.451 0.229 -4.244 92 HB2 CYS 15 1HB CYS 15 0.136 0.796 -1.894 93 HB3 CYS 15 2HB CYS 15 1.221 -0.505 -1.412 94 H ASP 16 H ASP 16 1.931 -0.268 -5.710 95 HA ASP 16 HA ASP 16 3.598 -2.605 -5.440 96 HB2 ASP 16 1HB ASP 16 4.425 -2.016 -7.669 97 HB3 ASP 16 2HB ASP 16 2.665 -1.976 -7.626 98 H THR 17 H THR 17 4.100 -0.814 -3.378 99 HA THR 17 HA THR 17 6.877 -0.060 -3.977 100 HB THR 17 HB THR 17 5.064 1.627 -2.249 101 HG1 THR 17 HG1 THR 17 5.016 3.053 -4.037 102 HG21 THR 17 3HG2 THR 17 7.285 3.027 -3.333 103 HG22 THR 17 1HG2 THR 17 7.882 1.525 -2.630 104 HG23 THR 17 2HG2 THR 17 6.947 2.649 -1.644 105 H CYS 18 H CYS 18 4.518 -0.404 -1.324 106 HA CYS 18 HA CYS 18 6.654 -1.647 0.282 107 HB2 CYS 18 1HB CYS 18 5.422 -0.880 2.279 108 HB3 CYS 18 2HB CYS 18 5.918 0.463 1.255 109 H ASP 19 H ASP 19 4.460 -2.684 -1.633 110 HA ASP 19 HA ASP 19 3.104 -4.503 -1.804 111 HB2 ASP 19 1HB ASP 19 5.293 -5.414 -0.655 112 HB3 ASP 19 2HB ASP 19 4.228 -5.624 0.732 113 H LYS 20 H LYS 20 1.770 -2.441 -0.775 114 HA LYS 20 HA LYS 20 0.273 -3.523 1.519 115 HB2 LYS 20 1HB LYS 20 1.000 -0.771 0.678 116 HB3 LYS 20 2HB LYS 20 -0.594 -0.981 1.393 117 HG2 LYS 20 1HG LYS 20 0.628 -2.194 3.290 118 HG3 LYS 20 2HG LYS 20 2.093 -1.470 2.623 119 HD2 LYS 20 1HD LYS 20 1.375 0.700 3.085 120 HD3 LYS 20 2HD LYS 20 -0.314 0.210 3.233 121 HE2 LYS 20 1HE LYS 20 1.790 -0.774 5.135 122 HE3 LYS 20 2HE LYS 20 0.969 0.767 5.381 123 HZ1 LYS 20 3HZ LYS 20 -0.533 -0.460 6.459 124 HZ2 LYS 20 1HZ LYS 20 -0.002 -1.915 5.778 125 HZ3 LYS 20 2HZ LYS 20 -1.079 -0.927 4.928 126 H SER 21 H SER 21 -2.090 -2.559 1.481 127 HA SER 21 HA SER 21 -3.252 -2.446 -1.168 128 HB2 SER 21 1HB SER 21 -4.861 -4.344 -0.574 129 HB3 SER 21 2HB SER 21 -3.217 -4.812 -1.008 130 HG SER 21 HG SER 21 -3.698 -5.917 0.832 131 H PHE 22 H PHE 22 -5.322 -1.578 -1.194 132 HA PHE 22 HA PHE 22 -6.450 -0.800 1.408 133 HB2 PHE 22 1HB PHE 22 -6.198 0.998 -1.013 134 HB3 PHE 22 2HB PHE 22 -6.988 1.421 0.503 135 HD1 PHE 22 HD2 PHE 22 -3.698 0.146 -0.712 136 HD2 PHE 22 HD1 PHE 22 -5.790 2.653 2.018 137 HE1 PHE 22 HE2 PHE 22 -1.553 0.970 0.169 138 HE2 PHE 22 HE1 PHE 22 -3.649 3.482 2.903 139 HZ PHE 22 HZ PHE 22 -1.527 2.640 1.979 140 H ARG 23 H ARG 23 -8.743 0.122 1.074 141 HA ARG 23 HA ARG 23 -10.167 -1.742 -0.690 142 HB2 ARG 23 1HB ARG 23 -11.258 -0.119 1.615 143 HB3 ARG 23 2HB ARG 23 -12.098 -1.389 0.735 144 HG2 ARG 23 1HG ARG 23 -10.370 -2.993 1.542 145 HG3 ARG 23 2HG ARG 23 -9.718 -1.698 2.547 146 HD2 ARG 23 1HD ARG 23 -11.197 -3.091 3.859 147 HD3 ARG 23 2HD ARG 23 -11.905 -1.489 3.656 148 HE ARG 23 HE ARG 23 -13.059 -2.811 1.657 149 HH11 ARG 23 1HH1 ARG 23 -12.574 -3.709 4.985 150 HH12 ARG 23 2HH1 ARG 23 -13.998 -4.694 5.063 151 HH21 ARG 23 1HH2 ARG 23 -14.935 -4.105 1.746 152 HH22 ARG 23 2HH2 ARG 23 -15.339 -4.919 3.220 153 H GLN 24 H GLN 24 -9.668 1.640 -0.026 154 HA GLN 24 HA GLN 24 -11.622 2.348 -2.107 155 HB2 GLN 24 1HB GLN 24 -10.340 4.282 -0.190 156 HB3 GLN 24 2HB GLN 24 -11.808 4.494 -1.135 157 HG2 GLN 24 1HG GLN 24 -12.977 2.897 0.234 158 HG3 GLN 24 2HG GLN 24 -11.499 2.528 1.122 159 HE21 GLN 24 1HE2 GLN 24 -12.678 3.079 3.030 160 HE22 GLN 24 2HE2 GLN 24 -12.879 4.734 3.482 161 H ARG 25 H ARG 25 -10.922 3.070 -4.008 162 HA ARG 25 HA ARG 25 -8.280 3.011 -4.814 163 HB2 ARG 25 1HB ARG 25 -10.409 3.117 -6.239 164 HB3 ARG 25 2HB ARG 25 -10.308 4.863 -6.051 165 HG2 ARG 25 1HG ARG 25 -8.067 4.817 -7.069 166 HG3 ARG 25 2HG ARG 25 -8.237 3.078 -7.312 167 HD2 ARG 25 1HD ARG 25 -10.156 5.115 -8.424 168 HD3 ARG 25 2HD ARG 25 -8.764 4.500 -9.314 169 HE ARG 25 HE ARG 25 -10.035 2.241 -8.611 170 HH11 ARG 25 1HH1 ARG 25 -11.146 5.187 -10.096 171 HH12 ARG 25 2HH1 ARG 25 -12.409 4.413 -10.993 172 HH21 ARG 25 1HH2 ARG 25 -11.696 1.209 -9.786 173 HH22 ARG 25 2HH2 ARG 25 -12.722 2.150 -10.815 174 H SER 26 H SER 26 -10.121 5.660 -3.428 175 HA SER 26 HA SER 26 -8.167 7.672 -3.946 176 HB2 SER 26 1HB SER 26 -10.532 8.231 -3.564 177 HB3 SER 26 2HB SER 26 -10.410 7.630 -1.911 178 HG SER 26 HG SER 26 -9.739 10.045 -2.894 179 H ALA 27 H ALA 27 -8.453 5.181 -1.629 180 HA ALA 27 HA ALA 27 -6.843 6.459 0.398 181 HB1 ALA 27 3HB ALA 27 -7.526 3.535 0.220 182 HB2 ALA 27 1HB ALA 27 -7.089 4.468 1.652 183 HB3 ALA 27 2HB ALA 27 -8.638 4.747 0.855 184 H LEU 28 H LEU 28 -6.374 4.194 -2.241 185 HA LEU 28 HA LEU 28 -3.623 3.667 -1.486 186 HB2 LEU 28 1HB LEU 28 -4.542 1.774 -2.402 187 HB3 LEU 28 2HB LEU 28 -5.492 2.677 -3.580 188 HG LEU 28 HG LEU 28 -3.067 3.185 -4.556 189 HD11 LEU 28 1HD1 LEU 28 -2.741 0.843 -2.777 190 HD12 LEU 28 2HD1 LEU 28 -1.572 2.067 -3.271 191 HD13 LEU 28 3HD1 LEU 28 -1.992 0.755 -4.371 192 HD21 LEU 28 3HD2 LEU 28 -4.008 0.483 -5.252 193 HD22 LEU 28 1HD2 LEU 28 -3.721 1.888 -6.278 194 HD23 LEU 28 2HD2 LEU 28 -5.217 1.764 -5.353 195 H ASN 29 H ASN 29 -5.341 5.215 -4.188 196 HA ASN 29 HA ASN 29 -3.182 6.023 -5.702 197 HB2 ASN 29 1HB ASN 29 -5.898 7.229 -5.250 198 HB3 ASN 29 2HB ASN 29 -4.727 8.026 -6.297 199 HD21 ASN 29 1HD2 ASN 29 -6.960 7.355 -7.479 200 HD22 ASN 29 2HD2 ASN 29 -6.780 5.953 -8.473 201 H SER 30 H SER 30 -4.325 7.280 -2.675 202 HA SER 30 HA SER 30 -2.659 9.660 -2.860 203 HB2 SER 30 1HB SER 30 -4.868 9.891 -1.838 204 HB3 SER 30 2HB SER 30 -4.461 8.666 -0.637 205 HG SER 30 HG SER 30 -4.134 10.688 0.262 206 H HIS 31 H HIS 31 -2.774 6.580 -1.169 207 HA HIS 31 HA HIS 31 -0.722 7.048 0.687 208 HB2 HIS 31 1HB HIS 31 -2.020 5.141 1.096 209 HB3 HIS 31 2HB HIS 31 -1.859 4.561 -0.559 210 HD1 HIS 31 HD1 HIS 31 -0.048 4.670 2.718 211 HD2 HIS 31 HD2 HIS 31 0.420 3.039 -1.074 212 HE1 HIS 31 HE1 HIS 31 1.851 3.034 2.920 213 H ARG 32 H ARG 32 -0.653 6.038 -2.676 214 HA ARG 32 HA ARG 32 2.040 5.232 -2.794 215 HB2 ARG 32 1HB ARG 32 0.247 6.368 -4.946 216 HB3 ARG 32 2HB ARG 32 1.816 5.632 -5.245 217 HG2 ARG 32 1HG ARG 32 0.997 3.516 -4.333 218 HG3 ARG 32 2HG ARG 32 -0.580 4.257 -4.048 219 HD2 ARG 32 1HD ARG 32 -0.780 4.700 -6.462 220 HD3 ARG 32 2HD ARG 32 0.769 3.900 -6.722 221 HE ARG 32 HE ARG 32 -1.122 2.243 -5.354 222 HH11 ARG 32 1HH1 ARG 32 -0.086 3.377 -8.478 223 HH12 ARG 32 2HH1 ARG 32 -0.708 2.002 -9.328 224 HH21 ARG 32 1HH2 ARG 32 -1.946 0.428 -6.462 225 HH22 ARG 32 2HH2 ARG 32 -1.767 0.325 -8.181 226 H MET 33 H MET 33 0.572 8.344 -2.643 227 HA MET 33 HA MET 33 2.631 9.868 -3.846 228 HB2 MET 33 1HB MET 33 0.591 10.650 -1.756 229 HB3 MET 33 2HB MET 33 1.610 11.781 -2.637 230 HG2 MET 33 1HG MET 33 0.563 10.678 -4.740 231 HG3 MET 33 2HG MET 33 -0.682 10.144 -3.614 232 HE1 MET 33 3HE MET 33 -2.892 12.939 -4.789 233 HE2 MET 33 1HE MET 33 -2.180 11.491 -5.501 234 HE3 MET 33 2HE MET 33 -2.846 11.435 -3.869 235 H ILE 34 H ILE 34 2.009 8.873 -0.507 236 HA ILE 34 HA ILE 34 3.944 10.331 0.817 237 HB ILE 34 HB ILE 34 3.705 8.896 2.605 238 HG12 ILE 34 1HG1 ILE 34 3.561 6.736 0.531 239 HG13 ILE 34 2HG1 ILE 34 4.645 6.881 1.910 240 HG21 ILE 34 1HG2 ILE 34 1.490 9.691 1.553 241 HG22 ILE 34 2HG2 ILE 34 1.270 7.998 1.112 242 HG23 ILE 34 3HG2 ILE 34 1.432 8.454 2.808 243 HD11 ILE 34 3HD1 ILE 34 1.702 6.293 2.107 244 HD12 ILE 34 1HD1 ILE 34 2.979 5.077 2.140 245 HD13 ILE 34 2HD1 ILE 34 2.879 6.286 3.421 246 H HIS 35 H HIS 35 4.321 7.601 -1.297 247 HA HIS 35 HA HIS 35 7.034 7.044 -0.494 248 HB2 HIS 35 1HB HIS 35 5.435 6.072 -2.871 249 HB3 HIS 35 2HB HIS 35 7.022 5.467 -2.403 250 HD1 HIS 35 HD1 HIS 35 6.693 5.012 0.559 251 HD2 HIS 35 HD2 HIS 35 3.743 4.068 -2.210 252 HE1 HIS 35 HE1 HIS 35 5.264 3.265 1.668 253 H THR 36 H THR 36 5.448 9.142 -2.704 254 HA THR 36 HA THR 36 7.766 9.524 -4.397 255 HB THR 36 HB THR 36 6.453 11.040 -5.667 256 HG1 THR 36 HG1 THR 36 4.288 11.008 -3.884 257 HG21 THR 36 3HG2 THR 36 4.530 8.948 -4.649 258 HG22 THR 36 1HG2 THR 36 5.808 8.639 -5.823 259 HG23 THR 36 2HG2 THR 36 4.495 9.748 -6.219 260 H GLY 37 H GLY 37 8.450 10.018 -1.775 261 HA2 GLY 37 1HA GLY 37 8.566 12.963 -1.618 262 HA3 GLY 37 2HA GLY 37 8.719 11.881 -0.241 263 H GLU 38 H GLU 38 10.315 12.958 -3.204 264 HA GLU 38 HA GLU 38 12.888 12.178 -1.997 265 HB2 GLU 38 1HB GLU 38 13.786 11.869 -4.215 266 HB3 GLU 38 2HB GLU 38 12.314 10.920 -4.059 267 HG2 GLU 38 1HG GLU 38 11.132 12.897 -5.156 268 HG3 GLU 38 2HG GLU 38 12.746 13.461 -5.585 269 H LYS 39 H LYS 39 11.568 14.634 -1.454 270 HA LYS 39 HA LYS 39 12.157 16.821 -1.179 271 HB2 LYS 39 1HB LYS 39 14.544 15.688 -1.469 272 HB3 LYS 39 2HB LYS 39 14.523 16.589 -2.979 273 HG2 LYS 39 1HG LYS 39 14.136 17.785 -0.243 274 HG3 LYS 39 2HG LYS 39 15.640 17.807 -1.167 275 HD2 LYS 39 1HD LYS 39 13.064 18.945 -2.227 276 HD3 LYS 39 2HD LYS 39 14.209 19.900 -1.282 277 HE2 LYS 39 1HE LYS 39 15.157 18.368 -3.666 278 HE3 LYS 39 2HE LYS 39 14.329 19.908 -3.889 279 HZ1 LYS 39 3HZ LYS 39 16.173 20.389 -1.926 280 HZ2 LYS 39 1HZ LYS 39 16.296 20.848 -3.550 281 HZ3 LYS 39 2HZ LYS 39 16.999 19.402 -3.024 282 HA PRO 40 HA PRO 40 10.566 17.329 -5.598 283 HB2 PRO 40 1HB PRO 40 7.963 17.751 -4.952 284 HB3 PRO 40 2HB PRO 40 8.625 16.143 -5.270 285 HG2 PRO 40 1HG PRO 40 8.092 17.488 -2.649 286 HG3 PRO 40 2HG PRO 40 7.768 15.813 -3.134 287 HD2 PRO 40 1HD PRO 40 9.915 16.506 -1.636 288 HD3 PRO 40 2HD PRO 40 9.951 15.158 -2.791 289 H SER 41 H SER 41 9.348 18.976 -2.675 290 HA SER 41 HA SER 41 10.395 21.501 -3.536 291 HB2 SER 41 1HB SER 41 7.486 20.881 -3.858 292 HB3 SER 41 2HB SER 41 7.957 22.506 -3.361 293 HG SER 41 HG SER 41 8.626 22.885 -5.315 294 H GLY 42 H GLY 42 9.405 23.299 -2.008 295 HA2 GLY 42 1HA GLY 42 9.070 22.133 0.682 296 HA3 GLY 42 2HA GLY 42 10.232 23.418 0.393 297 HA PRO 43 HA PRO 43 5.660 25.109 0.148 298 HB2 PRO 43 1HB PRO 43 4.011 23.847 1.896 299 HB3 PRO 43 2HB PRO 43 4.179 23.354 0.207 300 HG2 PRO 43 1HG PRO 43 5.451 22.192 2.655 301 HG3 PRO 43 2HG PRO 43 4.726 21.358 1.269 302 HD2 PRO 43 1HD PRO 43 7.401 21.671 1.544 303 HD3 PRO 43 2HD PRO 43 6.601 21.638 -0.041 304 H SER 44 H SER 44 7.921 24.600 2.444 305 HA SER 44 HA SER 44 8.547 25.655 4.360 306 HB2 SER 44 1HB SER 44 6.563 27.659 3.281 307 HB3 SER 44 2HB SER 44 7.506 27.950 4.743 308 HG SER 44 HG SER 44 8.473 27.520 2.113 309 H SER 45 H SER 45 6.935 23.598 4.869 310 HA SER 45 HA SER 45 4.737 24.465 6.568 311 HB2 SER 45 1HB SER 45 4.132 22.562 5.344 312 HB3 SER 45 2HB SER 45 5.705 21.797 5.575 313 HG SER 45 HG SER 45 4.697 20.781 7.119 314 H GLY 46 H GLY 46 4.800 24.580 8.730 315 HA2 GLY 46 1HA GLY 46 7.195 24.633 10.147 316 HA3 GLY 46 2HA GLY 46 5.602 24.497 10.879 Start of MODEL 8 1 H1 GLY 1 H GLY 1 12.015 -23.945 -0.318 2 HA2 GLY 1 1HA GLY 1 10.756 -22.546 1.851 3 HA3 GLY 1 2HA GLY 1 11.470 -21.455 0.672 4 H SER 2 H SER 2 10.032 -20.707 -0.720 5 HA SER 2 HA SER 2 8.125 -22.552 -1.938 6 HB2 SER 2 1HB SER 2 7.183 -21.181 0.122 7 HB3 SER 2 2HB SER 2 7.062 -19.894 -1.077 8 HG SER 2 HG SER 2 5.223 -21.489 -0.750 9 H SER 3 H SER 3 8.146 -22.301 -4.065 10 HA SER 3 HA SER 3 8.944 -19.684 -5.162 11 HB2 SER 3 1HB SER 3 9.846 -20.996 -7.119 12 HB3 SER 3 2HB SER 3 10.716 -21.242 -5.605 13 HG SER 3 HG SER 3 10.150 -23.184 -6.853 14 H GLY 4 H GLY 4 6.813 -18.962 -5.390 15 HA2 GLY 4 1HA GLY 4 5.564 -19.303 -7.804 16 HA3 GLY 4 2HA GLY 4 4.831 -20.514 -6.763 17 H SER 5 H SER 5 5.046 -17.161 -7.544 18 HA SER 5 HA SER 5 3.575 -16.232 -5.257 19 HB2 SER 5 1HB SER 5 4.560 -14.983 -7.800 20 HB3 SER 5 2HB SER 5 3.370 -14.134 -6.814 21 HG SER 5 HG SER 5 5.702 -13.744 -6.379 22 H SER 6 H SER 6 1.676 -17.450 -5.231 23 HA SER 6 HA SER 6 -0.182 -16.972 -7.465 24 HB2 SER 6 1HB SER 6 0.466 -19.373 -6.761 25 HB3 SER 6 2HB SER 6 -0.563 -19.089 -5.357 26 HG SER 6 HG SER 6 -1.519 -20.056 -7.369 27 H GLY 7 H GLY 7 -2.470 -16.694 -6.889 28 HA2 GLY 7 1HA GLY 7 -4.192 -16.006 -5.448 29 HA3 GLY 7 2HA GLY 7 -3.003 -15.768 -4.176 30 H THR 8 H THR 8 -5.085 -13.951 -4.883 31 HA THR 8 HA THR 8 -3.474 -11.673 -5.836 32 HB THR 8 HB THR 8 -5.205 -12.224 -7.477 33 HG1 THR 8 HG1 THR 8 -5.526 -9.842 -5.965 34 HG21 THR 8 3HG2 THR 8 -6.760 -12.827 -5.246 35 HG22 THR 8 1HG2 THR 8 -7.286 -12.821 -6.928 36 HG23 THR 8 2HG2 THR 8 -7.503 -11.382 -5.931 37 H ALA 9 H ALA 9 -3.743 -9.693 -4.791 38 HA ALA 9 HA ALA 9 -4.070 -9.688 -2.059 39 HB1 ALA 9 3HB ALA 9 -3.656 -7.734 -4.100 40 HB2 ALA 9 1HB ALA 9 -4.831 -7.120 -2.937 41 HB3 ALA 9 2HB ALA 9 -3.243 -7.657 -2.387 42 H GLU 10 H GLU 10 -5.756 -9.840 -0.736 43 HA GLU 10 HA GLU 10 -8.303 -10.459 -1.370 44 HB2 GLU 10 1HB GLU 10 -7.133 -10.181 0.953 45 HB3 GLU 10 2HB GLU 10 -7.871 -8.586 0.929 46 HG2 GLU 10 1HG GLU 10 -10.050 -9.482 0.887 47 HG3 GLU 10 2HG GLU 10 -9.456 -11.100 0.518 48 H LYS 11 H LYS 11 -6.851 -7.337 -1.639 49 HA LYS 11 HA LYS 11 -9.463 -6.174 -2.351 50 HB2 LYS 11 1HB LYS 11 -6.983 -4.663 -1.522 51 HB3 LYS 11 2HB LYS 11 -8.600 -4.010 -1.746 52 HG2 LYS 11 1HG LYS 11 -7.672 -5.881 0.419 53 HG3 LYS 11 2HG LYS 11 -8.184 -4.201 0.593 54 HD2 LYS 11 1HD LYS 11 -9.879 -6.583 -0.135 55 HD3 LYS 11 2HD LYS 11 -9.997 -5.572 1.307 56 HE2 LYS 11 1HE LYS 11 -10.446 -3.648 -0.340 57 HE3 LYS 11 2HE LYS 11 -10.752 -4.919 -1.522 58 HZ1 LYS 11 3HZ LYS 11 -12.120 -4.975 1.085 59 HZ2 LYS 11 1HZ LYS 11 -12.605 -5.646 -0.391 60 HZ3 LYS 11 2HZ LYS 11 -12.701 -3.975 -0.149 61 HA PRO 12 HA PRO 12 -8.111 -5.625 -6.493 62 HB2 PRO 12 1HB PRO 12 -9.441 -3.357 -7.169 63 HB3 PRO 12 2HB PRO 12 -10.245 -4.918 -6.964 64 HG2 PRO 12 1HG PRO 12 -10.047 -2.623 -5.051 65 HG3 PRO 12 2HG PRO 12 -11.448 -3.638 -5.440 66 HD2 PRO 12 1HD PRO 12 -9.956 -4.007 -3.211 67 HD3 PRO 12 2HD PRO 12 -10.752 -5.348 -4.060 68 H PHE 13 H PHE 13 -7.523 -3.198 -4.107 69 HA PHE 13 HA PHE 13 -5.629 -1.819 -5.879 70 HB2 PHE 13 1HB PHE 13 -6.554 -0.899 -3.157 71 HB3 PHE 13 2HB PHE 13 -5.732 0.049 -4.392 72 HD1 PHE 13 HD1 PHE 13 -6.930 0.899 -6.313 73 HD2 PHE 13 HD2 PHE 13 -8.913 -1.388 -3.321 74 HE1 PHE 13 HE1 PHE 13 -9.105 1.636 -7.196 75 HE2 PHE 13 HE2 PHE 13 -11.091 -0.656 -4.200 76 HZ PHE 13 HZ PHE 13 -11.189 0.857 -6.140 77 H ARG 14 H ARG 14 -3.480 -1.773 -5.456 78 HA ARG 14 HA ARG 14 -2.458 -2.731 -2.914 79 HB2 ARG 14 1HB ARG 14 -2.814 -4.754 -4.391 80 HB3 ARG 14 2HB ARG 14 -1.594 -4.087 -5.468 81 HG2 ARG 14 1HG ARG 14 -0.074 -4.053 -3.401 82 HG3 ARG 14 2HG ARG 14 -1.270 -5.136 -2.684 83 HD2 ARG 14 1HD ARG 14 -0.793 -6.847 -4.138 84 HD3 ARG 14 2HD ARG 14 -0.223 -5.757 -5.401 85 HE ARG 14 HE ARG 14 1.459 -5.785 -3.076 86 HH11 ARG 14 1HH1 ARG 14 0.740 -7.363 -6.094 87 HH12 ARG 14 2HH1 ARG 14 2.327 -8.034 -6.272 88 HH21 ARG 14 1HH2 ARG 14 3.553 -6.663 -3.298 89 HH22 ARG 14 2HH2 ARG 14 3.926 -7.636 -4.680 90 H CYS 15 H CYS 15 -0.507 -1.865 -2.402 91 HA CYS 15 HA CYS 15 0.529 0.167 -4.198 92 HB2 CYS 15 1HB CYS 15 0.233 0.764 -1.861 93 HB3 CYS 15 2HB CYS 15 1.269 -0.569 -1.359 94 H ASP 16 H ASP 16 2.113 -0.224 -5.581 95 HA ASP 16 HA ASP 16 3.700 -2.636 -5.357 96 HB2 ASP 16 1HB ASP 16 4.419 -2.206 -7.570 97 HB3 ASP 16 2HB ASP 16 2.727 -1.718 -7.529 98 H THR 17 H THR 17 4.155 -0.784 -3.278 99 HA THR 17 HA THR 17 6.968 -0.099 -3.808 100 HB THR 17 HB THR 17 5.117 1.571 -2.100 101 HG1 THR 17 HG1 THR 17 6.125 2.115 -4.712 102 HG21 THR 17 3HG2 THR 17 7.288 1.917 -1.311 103 HG22 THR 17 1HG2 THR 17 7.066 3.221 -2.478 104 HG23 THR 17 2HG2 THR 17 7.995 1.789 -2.921 105 H CYS 18 H CYS 18 4.608 -0.349 -1.139 106 HA CYS 18 HA CYS 18 6.684 -1.729 0.433 107 HB2 CYS 18 1HB CYS 18 5.467 -0.931 2.443 108 HB3 CYS 18 2HB CYS 18 6.078 0.388 1.450 109 H ASP 19 H ASP 19 4.681 -2.827 -1.493 110 HA ASP 19 HA ASP 19 3.167 -4.527 -1.669 111 HB2 ASP 19 1HB ASP 19 3.599 -6.338 0.205 112 HB3 ASP 19 2HB ASP 19 4.786 -6.048 -1.064 113 H LYS 20 H LYS 20 1.818 -2.494 -0.730 114 HA LYS 20 HA LYS 20 0.329 -3.479 1.613 115 HB2 LYS 20 1HB LYS 20 1.074 -0.765 0.681 116 HB3 LYS 20 2HB LYS 20 -0.528 -0.936 1.387 117 HG2 LYS 20 1HG LYS 20 0.689 -2.107 3.329 118 HG3 LYS 20 2HG LYS 20 2.146 -1.370 2.658 119 HD2 LYS 20 1HD LYS 20 1.087 0.841 2.830 120 HD3 LYS 20 2HD LYS 20 -0.348 0.091 3.531 121 HE2 LYS 20 1HE LYS 20 2.397 -0.183 4.734 122 HE3 LYS 20 2HE LYS 20 1.293 1.124 5.160 123 HZ1 LYS 20 3HZ LYS 20 1.233 -0.846 6.666 124 HZ2 LYS 20 1HZ LYS 20 0.582 -1.746 5.390 125 HZ3 LYS 20 2HZ LYS 20 -0.267 -0.421 6.011 126 H SER 21 H SER 21 -2.031 -2.531 1.547 127 HA SER 21 HA SER 21 -3.202 -2.474 -1.096 128 HB2 SER 21 1HB SER 21 -4.791 -4.383 -0.470 129 HB3 SER 21 2HB SER 21 -3.146 -4.836 -0.917 130 HG SER 21 HG SER 21 -3.152 -5.822 0.937 131 H PHE 22 H PHE 22 -5.265 -1.605 -1.129 132 HA PHE 22 HA PHE 22 -6.395 -0.813 1.469 133 HB2 PHE 22 1HB PHE 22 -6.179 0.947 -0.983 134 HB3 PHE 22 2HB PHE 22 -6.968 1.385 0.529 135 HD1 PHE 22 HD2 PHE 22 -3.666 0.114 -0.659 136 HD2 PHE 22 HD1 PHE 22 -5.781 2.678 1.999 137 HE1 PHE 22 HE2 PHE 22 -1.530 0.981 0.198 138 HE2 PHE 22 HE1 PHE 22 -3.648 3.550 2.861 139 HZ PHE 22 HZ PHE 22 -1.518 2.701 1.961 140 H ARG 23 H ARG 23 -8.683 0.284 0.920 141 HA ARG 23 HA ARG 23 -10.111 -1.714 -0.700 142 HB2 ARG 23 1HB ARG 23 -11.132 0.000 1.572 143 HB3 ARG 23 2HB ARG 23 -12.081 -1.179 0.676 144 HG2 ARG 23 1HG ARG 23 -11.531 -2.417 2.504 145 HG3 ARG 23 2HG ARG 23 -10.169 -2.811 1.453 146 HD2 ARG 23 1HD ARG 23 -8.743 -1.293 2.583 147 HD3 ARG 23 2HD ARG 23 -10.094 -0.557 3.443 148 HE ARG 23 HE ARG 23 -9.769 -3.351 4.010 149 HH11 ARG 23 1HH1 ARG 23 -8.737 -0.132 4.843 150 HH12 ARG 23 2HH1 ARG 23 -8.248 -0.563 6.448 151 HH21 ARG 23 1HH2 ARG 23 -9.128 -3.932 6.121 152 HH22 ARG 23 2HH2 ARG 23 -8.470 -2.725 7.173 153 H GLN 24 H GLN 24 -9.934 1.736 0.058 154 HA GLN 24 HA GLN 24 -11.698 2.322 -2.207 155 HB2 GLN 24 1HB GLN 24 -10.616 4.403 -0.341 156 HB3 GLN 24 2HB GLN 24 -12.118 4.408 -1.255 157 HG2 GLN 24 1HG GLN 24 -13.172 2.959 0.242 158 HG3 GLN 24 2HG GLN 24 -11.645 2.452 0.963 159 HE21 GLN 24 1HE2 GLN 24 -14.150 3.655 2.078 160 HE22 GLN 24 2HE2 GLN 24 -13.609 5.012 3.000 161 H ARG 25 H ARG 25 -10.958 3.148 -4.060 162 HA ARG 25 HA ARG 25 -8.297 3.131 -4.780 163 HB2 ARG 25 1HB ARG 25 -10.321 3.254 -6.301 164 HB3 ARG 25 2HB ARG 25 -10.345 4.985 -5.993 165 HG2 ARG 25 1HG ARG 25 -8.013 5.098 -6.874 166 HG3 ARG 25 2HG ARG 25 -8.169 3.402 -7.335 167 HD2 ARG 25 1HD ARG 25 -8.760 4.456 -9.292 168 HD3 ARG 25 2HD ARG 25 -10.335 4.226 -8.535 169 HE ARG 25 HE ARG 25 -9.072 6.753 -7.945 170 HH11 ARG 25 1HH1 ARG 25 -11.189 5.003 -10.084 171 HH12 ARG 25 2HH1 ARG 25 -11.993 6.424 -10.663 172 HH21 ARG 25 1HH2 ARG 25 -10.123 8.632 -8.699 173 HH22 ARG 25 2HH2 ARG 25 -11.385 8.488 -9.875 174 H SER 26 H SER 26 -10.200 5.763 -3.423 175 HA SER 26 HA SER 26 -8.254 7.792 -3.796 176 HB2 SER 26 1HB SER 26 -10.784 8.016 -3.256 177 HB3 SER 26 2HB SER 26 -10.281 7.837 -1.575 178 HG SER 26 HG SER 26 -9.753 9.857 -1.636 179 H ALA 27 H ALA 27 -8.556 5.219 -1.555 180 HA ALA 27 HA ALA 27 -6.942 6.427 0.509 181 HB1 ALA 27 3HB ALA 27 -8.733 4.339 0.450 182 HB2 ALA 27 1HB ALA 27 -7.175 3.528 0.607 183 HB3 ALA 27 2HB ALA 27 -7.659 4.746 1.788 184 H LEU 28 H LEU 28 -6.475 4.221 -2.184 185 HA LEU 28 HA LEU 28 -3.721 3.686 -1.445 186 HB2 LEU 28 1HB LEU 28 -4.637 1.809 -2.394 187 HB3 LEU 28 2HB LEU 28 -5.593 2.731 -3.552 188 HG LEU 28 HG LEU 28 -3.159 3.263 -4.514 189 HD11 LEU 28 1HD1 LEU 28 -2.828 0.942 -2.743 190 HD12 LEU 28 2HD1 LEU 28 -1.635 2.086 -3.357 191 HD13 LEU 28 3HD1 LEU 28 -2.177 0.749 -4.371 192 HD21 LEU 28 3HD2 LEU 28 -3.881 2.081 -6.275 193 HD22 LEU 28 1HD2 LEU 28 -5.333 1.818 -5.309 194 HD23 LEU 28 2HD2 LEU 28 -4.058 0.600 -5.334 195 H ASN 29 H ASN 29 -5.448 5.278 -4.117 196 HA ASN 29 HA ASN 29 -3.309 6.116 -5.633 197 HB2 ASN 29 1HB ASN 29 -6.040 7.228 -5.138 198 HB3 ASN 29 2HB ASN 29 -4.887 8.196 -6.052 199 HD21 ASN 29 1HD2 ASN 29 -7.175 7.398 -7.241 200 HD22 ASN 29 2HD2 ASN 29 -6.845 6.189 -8.431 201 H SER 30 H SER 30 -4.402 7.318 -2.562 202 HA SER 30 HA SER 30 -2.737 9.695 -2.709 203 HB2 SER 30 1HB SER 30 -4.732 8.618 -0.753 204 HB3 SER 30 2HB SER 30 -3.563 9.822 -0.210 205 HG SER 30 HG SER 30 -5.778 10.371 -1.326 206 H HIS 31 H HIS 31 -2.787 6.567 -1.094 207 HA HIS 31 HA HIS 31 -0.652 6.990 0.678 208 HB2 HIS 31 1HB HIS 31 -1.932 5.079 1.112 209 HB3 HIS 31 2HB HIS 31 -1.862 4.536 -0.562 210 HD1 HIS 31 HD1 HIS 31 0.209 4.662 2.578 211 HD2 HIS 31 HD2 HIS 31 0.286 2.913 -1.190 212 HE1 HIS 31 HE1 HIS 31 2.081 2.984 2.653 213 H ARG 32 H ARG 32 -0.731 5.926 -2.684 214 HA ARG 32 HA ARG 32 1.942 5.149 -2.944 215 HB2 ARG 32 1HB ARG 32 0.137 6.391 -5.028 216 HB3 ARG 32 2HB ARG 32 1.628 5.518 -5.357 217 HG2 ARG 32 1HG ARG 32 0.563 3.529 -4.220 218 HG3 ARG 32 2HG ARG 32 -0.951 4.434 -4.270 219 HD2 ARG 32 1HD ARG 32 0.732 3.864 -6.701 220 HD3 ARG 32 2HD ARG 32 -0.591 2.827 -6.170 221 HE ARG 32 HE ARG 32 -1.814 5.191 -6.344 222 HH11 ARG 32 1HH1 ARG 32 0.349 3.568 -8.537 223 HH12 ARG 32 2HH1 ARG 32 -0.352 4.273 -9.956 224 HH21 ARG 32 1HH2 ARG 32 -2.745 6.126 -8.205 225 HH22 ARG 32 2HH2 ARG 32 -2.111 5.729 -9.766 226 H MET 33 H MET 33 0.496 8.285 -2.744 227 HA MET 33 HA MET 33 2.515 9.809 -3.983 228 HB2 MET 33 1HB MET 33 0.713 10.652 -1.708 229 HB3 MET 33 2HB MET 33 1.553 11.715 -2.828 230 HG2 MET 33 1HG MET 33 0.212 10.855 -4.669 231 HG3 MET 33 2HG MET 33 -0.616 9.763 -3.562 232 HE1 MET 33 3HE MET 33 -2.096 11.065 -5.327 233 HE2 MET 33 1HE MET 33 -3.436 11.647 -4.338 234 HE3 MET 33 2HE MET 33 -2.443 12.793 -5.240 235 H ILE 34 H ILE 34 2.006 8.916 -0.581 236 HA ILE 34 HA ILE 34 4.032 10.269 0.649 237 HB ILE 34 HB ILE 34 3.907 8.777 2.410 238 HG12 ILE 34 1HG1 ILE 34 3.576 6.680 0.288 239 HG13 ILE 34 2HG1 ILE 34 4.776 6.777 1.572 240 HG21 ILE 34 1HG2 ILE 34 1.643 8.343 2.739 241 HG22 ILE 34 2HG2 ILE 34 1.645 9.638 1.542 242 HG23 ILE 34 3HG2 ILE 34 1.368 7.971 1.038 243 HD11 ILE 34 3HD1 ILE 34 3.132 6.170 3.215 244 HD12 ILE 34 1HD1 ILE 34 1.854 6.208 2.000 245 HD13 ILE 34 2HD1 ILE 34 3.123 4.985 1.909 246 H HIS 35 H HIS 35 4.299 7.500 -1.462 247 HA HIS 35 HA HIS 35 7.083 7.038 -0.850 248 HB2 HIS 35 1HB HIS 35 5.351 5.922 -3.066 249 HB3 HIS 35 2HB HIS 35 6.968 5.362 -2.652 250 HD1 HIS 35 HD1 HIS 35 6.872 4.963 0.292 251 HD2 HIS 35 HD2 HIS 35 3.655 4.030 -2.165 252 HE1 HIS 35 HE1 HIS 35 5.512 3.282 1.576 253 H THR 36 H THR 36 5.599 7.553 -4.037 254 HA THR 36 HA THR 36 6.599 8.451 -5.925 255 HB THR 36 HB THR 36 6.572 10.842 -5.873 256 HG1 THR 36 HG1 THR 36 6.895 12.000 -4.058 257 HG21 THR 36 3HG2 THR 36 4.480 11.139 -4.221 258 HG22 THR 36 1HG2 THR 36 4.516 9.380 -4.322 259 HG23 THR 36 2HG2 THR 36 4.356 10.344 -5.790 260 H GLY 37 H GLY 37 8.568 7.016 -4.715 261 HA2 GLY 37 1HA GLY 37 10.895 8.819 -4.613 262 HA3 GLY 37 2HA GLY 37 10.838 7.200 -3.932 263 H GLU 38 H GLU 38 10.485 8.835 -7.080 264 HA GLU 38 HA GLU 38 12.302 6.851 -8.233 265 HB2 GLU 38 1HB GLU 38 9.987 6.069 -8.655 266 HB3 GLU 38 2HB GLU 38 9.646 7.585 -9.477 267 HG2 GLU 38 1HG GLU 38 10.111 5.746 -11.031 268 HG3 GLU 38 2HG GLU 38 11.259 7.075 -11.189 269 H LYS 39 H LYS 39 13.561 7.603 -9.901 270 HA LYS 39 HA LYS 39 14.379 10.173 -10.024 271 HB2 LYS 39 1HB LYS 39 14.303 8.050 -12.145 272 HB3 LYS 39 2HB LYS 39 14.948 9.646 -12.509 273 HG2 LYS 39 1HG LYS 39 15.971 8.253 -10.097 274 HG3 LYS 39 2HG LYS 39 16.487 7.668 -11.680 275 HD2 LYS 39 1HD LYS 39 16.604 10.594 -11.134 276 HD3 LYS 39 2HD LYS 39 17.828 9.551 -10.407 277 HE2 LYS 39 1HE LYS 39 18.726 10.287 -12.466 278 HE3 LYS 39 2HE LYS 39 18.223 8.616 -12.719 279 HZ1 LYS 39 3HZ LYS 39 16.447 9.255 -14.016 280 HZ2 LYS 39 1HZ LYS 39 17.613 10.397 -14.460 281 HZ3 LYS 39 2HZ LYS 39 16.385 10.820 -13.377 282 HA PRO 40 HA PRO 40 11.098 12.578 -11.725 283 HB2 PRO 40 1HB PRO 40 12.545 14.752 -12.469 284 HB3 PRO 40 2HB PRO 40 12.151 14.391 -10.784 285 HG2 PRO 40 1HG PRO 40 14.684 13.868 -12.290 286 HG3 PRO 40 2HG PRO 40 14.470 14.493 -10.644 287 HD2 PRO 40 1HD PRO 40 15.101 11.909 -11.150 288 HD3 PRO 40 2HD PRO 40 14.110 12.395 -9.759 289 H SER 41 H SER 41 10.185 13.036 -13.692 290 HA SER 41 HA SER 41 11.148 11.701 -15.968 291 HB2 SER 41 1HB SER 41 9.292 12.697 -17.150 292 HB3 SER 41 2HB SER 41 8.750 12.279 -15.525 293 HG SER 41 HG SER 41 9.535 14.850 -16.440 294 H GLY 42 H GLY 42 11.199 15.136 -15.076 295 HA2 GLY 42 1HA GLY 42 13.555 15.558 -16.679 296 HA3 GLY 42 2HA GLY 42 12.122 16.335 -17.335 297 HA PRO 43 HA PRO 43 13.920 18.489 -13.354 298 HB2 PRO 43 1HB PRO 43 16.391 19.384 -14.037 299 HB3 PRO 43 2HB PRO 43 16.120 17.837 -13.226 300 HG2 PRO 43 1HG PRO 43 16.592 18.396 -16.128 301 HG3 PRO 43 2HG PRO 43 17.267 17.109 -15.113 302 HD2 PRO 43 1HD PRO 43 15.198 16.692 -16.809 303 HD3 PRO 43 2HD PRO 43 15.370 15.811 -15.277 304 H SER 44 H SER 44 13.806 19.102 -16.711 305 HA SER 44 HA SER 44 13.555 21.996 -16.208 306 HB2 SER 44 1HB SER 44 14.288 22.375 -18.518 307 HB3 SER 44 2HB SER 44 15.502 21.460 -17.623 308 HG SER 44 HG SER 44 14.936 19.638 -18.701 309 H SER 45 H SER 45 11.337 21.886 -15.795 310 HA SER 45 HA SER 45 9.493 20.602 -17.536 311 HB2 SER 45 1HB SER 45 7.774 21.631 -16.212 312 HB3 SER 45 2HB SER 45 9.074 21.169 -15.114 313 HG SER 45 HG SER 45 8.078 23.632 -15.674 314 H GLY 46 H GLY 46 7.888 21.628 -18.877 315 HA2 GLY 46 1HA GLY 46 8.852 23.269 -20.846 316 HA3 GLY 46 2HA GLY 46 7.146 23.141 -20.447 Start of MODEL 9 1 H1 GLY 1 H GLY 1 7.439 -27.952 -14.734 2 HA2 GLY 1 1HA GLY 1 8.743 -26.272 -12.745 3 HA3 GLY 1 2HA GLY 1 7.552 -25.754 -13.929 4 H SER 2 H SER 2 7.376 -24.860 -11.355 5 HA SER 2 HA SER 2 4.961 -26.248 -10.410 6 HB2 SER 2 1HB SER 2 7.395 -25.468 -8.865 7 HB3 SER 2 2HB SER 2 5.826 -25.341 -8.069 8 HG SER 2 HG SER 2 6.795 -27.398 -7.766 9 H SER 3 H SER 3 3.706 -24.800 -8.846 10 HA SER 3 HA SER 3 2.798 -22.550 -10.148 11 HB2 SER 3 1HB SER 3 1.454 -23.536 -8.426 12 HB3 SER 3 2HB SER 3 2.699 -23.254 -7.210 13 HG SER 3 HG SER 3 1.079 -21.345 -8.531 14 H GLY 4 H GLY 4 5.182 -22.731 -7.520 15 HA2 GLY 4 1HA GLY 4 6.964 -21.315 -7.091 16 HA3 GLY 4 2HA GLY 4 6.485 -20.348 -8.479 17 H SER 5 H SER 5 6.618 -18.356 -7.532 18 HA SER 5 HA SER 5 5.465 -17.796 -4.972 19 HB2 SER 5 1HB SER 5 6.023 -15.440 -5.499 20 HB3 SER 5 2HB SER 5 7.392 -16.520 -5.762 21 HG SER 5 HG SER 5 5.760 -15.219 -7.647 22 H SER 6 H SER 6 3.710 -16.341 -4.561 23 HA SER 6 HA SER 6 1.740 -16.214 -6.748 24 HB2 SER 6 1HB SER 6 1.230 -16.805 -3.823 25 HB3 SER 6 2HB SER 6 -0.031 -16.529 -5.024 26 HG SER 6 HG SER 6 0.141 -18.622 -5.256 27 H GLY 7 H GLY 7 0.943 -14.254 -7.173 28 HA2 GLY 7 1HA GLY 7 1.355 -12.139 -5.149 29 HA3 GLY 7 2HA GLY 7 1.553 -11.867 -6.874 30 H THR 8 H THR 8 -0.560 -11.683 -4.271 31 HA THR 8 HA THR 8 -2.636 -10.556 -5.852 32 HB THR 8 HB THR 8 -3.070 -12.974 -6.269 33 HG1 THR 8 HG1 THR 8 -5.350 -12.776 -5.339 34 HG21 THR 8 3HG2 THR 8 -2.305 -13.827 -4.091 35 HG22 THR 8 1HG2 THR 8 -3.943 -14.360 -4.463 36 HG23 THR 8 2HG2 THR 8 -3.682 -13.050 -3.312 37 H ALA 9 H ALA 9 -4.445 -9.789 -4.545 38 HA ALA 9 HA ALA 9 -3.991 -9.823 -1.652 39 HB1 ALA 9 3HB ALA 9 -3.462 -7.577 -3.365 40 HB2 ALA 9 1HB ALA 9 -4.749 -7.189 -2.222 41 HB3 ALA 9 2HB ALA 9 -3.186 -7.754 -1.632 42 H GLU 10 H GLU 10 -5.828 -9.768 -0.447 43 HA GLU 10 HA GLU 10 -8.254 -10.530 -1.521 44 HB2 GLU 10 1HB GLU 10 -7.660 -10.757 0.860 45 HB3 GLU 10 2HB GLU 10 -7.804 -9.016 1.057 46 HG2 GLU 10 1HG GLU 10 -9.782 -10.092 1.892 47 HG3 GLU 10 2HG GLU 10 -10.180 -9.163 0.449 48 H LYS 11 H LYS 11 -6.822 -7.451 -1.550 49 HA LYS 11 HA LYS 11 -9.399 -6.169 -2.171 50 HB2 LYS 11 1HB LYS 11 -6.785 -4.890 -1.349 51 HB3 LYS 11 2HB LYS 11 -8.283 -4.032 -1.684 52 HG2 LYS 11 1HG LYS 11 -7.584 -5.775 0.639 53 HG3 LYS 11 2HG LYS 11 -8.250 -4.140 0.623 54 HD2 LYS 11 1HD LYS 11 -9.718 -6.629 -0.248 55 HD3 LYS 11 2HD LYS 11 -9.909 -5.828 1.313 56 HE2 LYS 11 1HE LYS 11 -10.448 -3.730 -0.103 57 HE3 LYS 11 2HE LYS 11 -10.714 -4.880 -1.413 58 HZ1 LYS 11 3HZ LYS 11 -12.105 -5.950 0.654 59 HZ2 LYS 11 1HZ LYS 11 -12.769 -5.031 -0.602 60 HZ3 LYS 11 2HZ LYS 11 -12.360 -4.290 0.863 61 HA PRO 12 HA PRO 12 -8.231 -5.672 -6.376 62 HB2 PRO 12 1HB PRO 12 -9.536 -3.370 -6.985 63 HB3 PRO 12 2HB PRO 12 -10.368 -4.911 -6.744 64 HG2 PRO 12 1HG PRO 12 -10.023 -2.627 -4.840 65 HG3 PRO 12 2HG PRO 12 -11.465 -3.606 -5.162 66 HD2 PRO 12 1HD PRO 12 -9.878 -4.017 -3.008 67 HD3 PRO 12 2HD PRO 12 -10.745 -5.336 -3.819 68 H PHE 13 H PHE 13 -7.594 -3.131 -4.076 69 HA PHE 13 HA PHE 13 -5.681 -1.878 -5.915 70 HB2 PHE 13 1HB PHE 13 -6.561 -0.844 -3.218 71 HB3 PHE 13 2HB PHE 13 -5.725 0.044 -4.488 72 HD1 PHE 13 HD1 PHE 13 -6.946 0.502 -6.644 73 HD2 PHE 13 HD2 PHE 13 -8.897 -0.935 -3.145 74 HE1 PHE 13 HE1 PHE 13 -9.108 1.255 -7.545 75 HE2 PHE 13 HE2 PHE 13 -11.062 -0.185 -4.040 76 HZ PHE 13 HZ PHE 13 -11.170 0.911 -6.243 77 H ARG 14 H ARG 14 -3.521 -1.785 -5.487 78 HA ARG 14 HA ARG 14 -2.488 -2.712 -2.938 79 HB2 ARG 14 1HB ARG 14 -2.846 -4.765 -4.349 80 HB3 ARG 14 2HB ARG 14 -1.671 -4.114 -5.485 81 HG2 ARG 14 1HG ARG 14 -0.033 -4.053 -3.566 82 HG3 ARG 14 2HG ARG 14 -1.211 -4.997 -2.652 83 HD2 ARG 14 1HD ARG 14 0.471 -6.435 -3.689 84 HD3 ARG 14 2HD ARG 14 -1.136 -6.750 -4.343 85 HE ARG 14 HE ARG 14 0.467 -4.883 -5.861 86 HH11 ARG 14 1HH1 ARG 14 -0.492 -8.198 -5.405 87 HH12 ARG 14 2HH1 ARG 14 -0.078 -8.676 -7.018 88 HH21 ARG 14 1HH2 ARG 14 1.016 -5.500 -7.988 89 HH22 ARG 14 2HH2 ARG 14 0.780 -7.141 -8.486 90 H CYS 15 H CYS 15 -0.528 -1.850 -2.452 91 HA CYS 15 HA CYS 15 0.503 0.151 -4.289 92 HB2 CYS 15 1HB CYS 15 0.204 0.791 -1.960 93 HB3 CYS 15 2HB CYS 15 1.253 -0.523 -1.437 94 H ASP 16 H ASP 16 2.047 -0.318 -5.693 95 HA ASP 16 HA ASP 16 3.651 -2.706 -5.393 96 HB2 ASP 16 1HB ASP 16 4.319 -2.380 -7.627 97 HB3 ASP 16 2HB ASP 16 2.648 -1.825 -7.585 98 H THR 17 H THR 17 4.121 -0.787 -3.382 99 HA THR 17 HA THR 17 6.922 -0.095 -3.969 100 HB THR 17 HB THR 17 5.090 1.586 -2.252 101 HG1 THR 17 HG1 THR 17 5.281 1.467 -4.925 102 HG21 THR 17 3HG2 THR 17 6.905 2.759 -1.684 103 HG22 THR 17 1HG2 THR 17 7.455 2.847 -3.357 104 HG23 THR 17 2HG2 THR 17 7.865 1.446 -2.367 105 H CYS 18 H CYS 18 4.595 -0.370 -1.276 106 HA CYS 18 HA CYS 18 6.724 -1.664 0.299 107 HB2 CYS 18 1HB CYS 18 5.510 -0.873 2.309 108 HB3 CYS 18 2HB CYS 18 6.061 0.452 1.288 109 H ASP 19 H ASP 19 4.518 -2.690 -1.587 110 HA ASP 19 HA ASP 19 3.122 -4.481 -1.731 111 HB2 ASP 19 1HB ASP 19 5.300 -5.418 -0.580 112 HB3 ASP 19 2HB ASP 19 4.235 -5.596 0.812 113 H LYS 20 H LYS 20 1.783 -2.426 -0.771 114 HA LYS 20 HA LYS 20 0.309 -3.422 1.576 115 HB2 LYS 20 1HB LYS 20 1.041 -0.707 0.641 116 HB3 LYS 20 2HB LYS 20 -0.560 -0.880 1.346 117 HG2 LYS 20 1HG LYS 20 0.662 -2.051 3.288 118 HG3 LYS 20 2HG LYS 20 2.113 -1.303 2.618 119 HD2 LYS 20 1HD LYS 20 1.417 0.824 3.129 120 HD3 LYS 20 2HD LYS 20 -0.294 0.396 3.061 121 HE2 LYS 20 1HE LYS 20 -0.318 -0.407 5.208 122 HE3 LYS 20 2HE LYS 20 1.393 -0.833 5.183 123 HZ1 LYS 20 3HZ LYS 20 1.583 1.002 6.436 124 HZ2 LYS 20 1HZ LYS 20 0.119 1.665 5.907 125 HZ3 LYS 20 2HZ LYS 20 1.511 1.826 4.960 126 H SER 21 H SER 21 -2.056 -2.456 1.518 127 HA SER 21 HA SER 21 -3.237 -2.442 -1.123 128 HB2 SER 21 1HB SER 21 -4.847 -4.319 -0.421 129 HB3 SER 21 2HB SER 21 -3.218 -4.793 -0.904 130 HG SER 21 HG SER 21 -4.453 -4.954 1.555 131 H PHE 22 H PHE 22 -5.297 -1.562 -1.167 132 HA PHE 22 HA PHE 22 -6.419 -0.709 1.414 133 HB2 PHE 22 1HB PHE 22 -6.132 1.016 -1.055 134 HB3 PHE 22 2HB PHE 22 -6.967 1.485 0.422 135 HD1 PHE 22 HD2 PHE 22 -3.639 0.243 -0.711 136 HD2 PHE 22 HD1 PHE 22 -5.817 2.710 1.988 137 HE1 PHE 22 HE2 PHE 22 -1.524 1.102 0.205 138 HE2 PHE 22 HE1 PHE 22 -3.705 3.574 2.908 139 HZ PHE 22 HZ PHE 22 -1.554 2.769 2.017 140 H ARG 23 H ARG 23 -8.710 0.190 1.077 141 HA ARG 23 HA ARG 23 -10.139 -1.702 -0.651 142 HB2 ARG 23 1HB ARG 23 -11.248 -0.039 1.615 143 HB3 ARG 23 2HB ARG 23 -12.053 -1.362 0.780 144 HG2 ARG 23 1HG ARG 23 -10.088 -2.798 1.623 145 HG3 ARG 23 2HG ARG 23 -9.805 -1.468 2.748 146 HD2 ARG 23 1HD ARG 23 -12.440 -2.897 2.438 147 HD3 ARG 23 2HD ARG 23 -11.231 -3.304 3.656 148 HE ARG 23 HE ARG 23 -12.109 -0.544 3.634 149 HH11 ARG 23 1HH1 ARG 23 -12.512 -3.732 4.972 150 HH12 ARG 23 2HH1 ARG 23 -13.295 -3.171 6.412 151 HH21 ARG 23 1HH2 ARG 23 -13.139 0.208 5.526 152 HH22 ARG 23 2HH2 ARG 23 -13.652 -0.930 6.726 153 H GLN 24 H GLN 24 -9.752 1.709 0.050 154 HA GLN 24 HA GLN 24 -11.699 2.381 -2.040 155 HB2 GLN 24 1HB GLN 24 -10.342 4.313 -0.165 156 HB3 GLN 24 2HB GLN 24 -11.799 4.571 -1.117 157 HG2 GLN 24 1HG GLN 24 -11.731 2.443 0.976 158 HG3 GLN 24 2HG GLN 24 -11.985 4.129 1.424 159 HE21 GLN 24 1HE2 GLN 24 -14.013 2.947 2.184 160 HE22 GLN 24 2HE2 GLN 24 -15.343 2.942 1.081 161 H ARG 25 H ARG 25 -11.051 3.059 -3.975 162 HA ARG 25 HA ARG 25 -8.428 2.967 -4.849 163 HB2 ARG 25 1HB ARG 25 -10.532 2.991 -6.258 164 HB3 ARG 25 2HB ARG 25 -10.552 4.738 -6.057 165 HG2 ARG 25 1HG ARG 25 -8.321 4.852 -7.105 166 HG3 ARG 25 2HG ARG 25 -8.392 3.110 -7.377 167 HD2 ARG 25 1HD ARG 25 -9.034 4.343 -9.383 168 HD3 ARG 25 2HD ARG 25 -10.384 3.399 -8.756 169 HE ARG 25 HE ARG 25 -10.884 5.742 -7.634 170 HH11 ARG 25 1HH1 ARG 25 -9.893 4.999 -10.888 171 HH12 ARG 25 2HH1 ARG 25 -10.700 6.364 -11.585 172 HH21 ARG 25 1HH2 ARG 25 -11.950 7.543 -8.540 173 HH22 ARG 25 2HH2 ARG 25 -11.869 7.812 -10.248 174 H SER 26 H SER 26 -10.202 5.613 -3.406 175 HA SER 26 HA SER 26 -8.235 7.607 -4.045 176 HB2 SER 26 1HB SER 26 -10.461 8.401 -3.765 177 HB3 SER 26 2HB SER 26 -10.635 7.582 -2.213 178 HG SER 26 HG SER 26 -10.200 9.647 -1.681 179 H ALA 27 H ALA 27 -8.537 5.183 -1.681 180 HA ALA 27 HA ALA 27 -6.984 6.516 0.355 181 HB1 ALA 27 3HB ALA 27 -6.999 4.211 1.407 182 HB2 ALA 27 1HB ALA 27 -8.571 4.975 1.171 183 HB3 ALA 27 2HB ALA 27 -8.028 3.711 0.065 184 H LEU 28 H LEU 28 -6.431 4.205 -2.231 185 HA LEU 28 HA LEU 28 -3.695 3.714 -1.420 186 HB2 LEU 28 1HB LEU 28 -4.563 1.824 -2.381 187 HB3 LEU 28 2HB LEU 28 -5.505 2.728 -3.564 188 HG LEU 28 HG LEU 28 -3.088 3.279 -4.511 189 HD11 LEU 28 1HD1 LEU 28 -2.738 0.842 -2.824 190 HD12 LEU 28 2HD1 LEU 28 -1.651 2.210 -3.062 191 HD13 LEU 28 3HD1 LEU 28 -1.842 1.004 -4.334 192 HD21 LEU 28 3HD2 LEU 28 -3.685 1.958 -6.234 193 HD22 LEU 28 1HD2 LEU 28 -5.185 1.786 -5.322 194 HD23 LEU 28 2HD2 LEU 28 -3.936 0.547 -5.205 195 H ASN 29 H ASN 29 -5.334 5.247 -4.185 196 HA ASN 29 HA ASN 29 -3.157 6.086 -5.633 197 HB2 ASN 29 1HB ASN 29 -5.922 7.121 -5.262 198 HB3 ASN 29 2HB ASN 29 -4.763 8.186 -6.051 199 HD21 ASN 29 1HD2 ASN 29 -7.164 6.325 -6.799 200 HD22 ASN 29 2HD2 ASN 29 -6.615 5.592 -8.264 201 H SER 30 H SER 30 -4.358 7.333 -2.617 202 HA SER 30 HA SER 30 -2.703 9.713 -2.736 203 HB2 SER 30 1HB SER 30 -4.776 8.645 -0.880 204 HB3 SER 30 2HB SER 30 -3.586 9.765 -0.219 205 HG SER 30 HG SER 30 -5.183 11.045 -0.972 206 H HIS 31 H HIS 31 -2.753 6.596 -1.097 207 HA HIS 31 HA HIS 31 -0.659 7.052 0.713 208 HB2 HIS 31 1HB HIS 31 -1.974 5.131 1.091 209 HB3 HIS 31 2HB HIS 31 -1.760 4.555 -0.559 210 HD1 HIS 31 HD1 HIS 31 0.041 4.787 2.732 211 HD2 HIS 31 HD2 HIS 31 0.491 3.004 -0.993 212 HE1 HIS 31 HE1 HIS 31 1.953 3.174 2.986 213 H ARG 32 H ARG 32 -0.645 5.853 -2.617 214 HA ARG 32 HA ARG 32 2.042 5.153 -2.815 215 HB2 ARG 32 1HB ARG 32 0.311 6.353 -4.985 216 HB3 ARG 32 2HB ARG 32 1.777 5.411 -5.226 217 HG2 ARG 32 1HG ARG 32 0.584 3.517 -4.036 218 HG3 ARG 32 2HG ARG 32 -0.888 4.475 -4.212 219 HD2 ARG 32 1HD ARG 32 0.877 3.381 -6.392 220 HD3 ARG 32 2HD ARG 32 -0.797 2.952 -6.043 221 HE ARG 32 HE ARG 32 -0.368 5.730 -6.705 222 HH11 ARG 32 1HH1 ARG 32 -1.098 2.543 -7.900 223 HH12 ARG 32 2HH1 ARG 32 -1.854 3.117 -9.349 224 HH21 ARG 32 1HH2 ARG 32 -1.361 6.499 -8.609 225 HH22 ARG 32 2HH2 ARG 32 -2.002 5.367 -9.752 226 H MET 33 H MET 33 0.576 8.252 -2.586 227 HA MET 33 HA MET 33 2.587 9.795 -3.851 228 HB2 MET 33 1HB MET 33 0.682 10.613 -1.650 229 HB3 MET 33 2HB MET 33 1.581 11.702 -2.698 230 HG2 MET 33 1HG MET 33 0.347 10.441 -4.609 231 HG3 MET 33 2HG MET 33 -0.770 9.983 -3.325 232 HE1 MET 33 3HE MET 33 -2.970 12.553 -4.881 233 HE2 MET 33 1HE MET 33 -2.476 10.863 -4.773 234 HE3 MET 33 2HE MET 33 -3.120 11.685 -3.352 235 H ILE 34 H ILE 34 2.025 8.899 -0.461 236 HA ILE 34 HA ILE 34 4.011 10.316 0.790 237 HB ILE 34 HB ILE 34 3.847 8.865 2.583 238 HG12 ILE 34 1HG1 ILE 34 3.505 6.705 0.517 239 HG13 ILE 34 2HG1 ILE 34 4.746 6.854 1.756 240 HG21 ILE 34 1HG2 ILE 34 1.569 8.395 2.859 241 HG22 ILE 34 2HG2 ILE 34 1.613 9.717 1.694 242 HG23 ILE 34 3HG2 ILE 34 1.339 8.065 1.142 243 HD11 ILE 34 3HD1 ILE 34 1.843 6.286 2.299 244 HD12 ILE 34 1HD1 ILE 34 3.114 5.067 2.209 245 HD13 ILE 34 2HD1 ILE 34 3.159 6.297 3.472 246 H HIS 35 H HIS 35 4.338 7.591 -1.337 247 HA HIS 35 HA HIS 35 7.104 7.108 -0.620 248 HB2 HIS 35 1HB HIS 35 5.414 5.954 -2.849 249 HB3 HIS 35 2HB HIS 35 7.031 5.411 -2.412 250 HD1 HIS 35 HD1 HIS 35 6.877 5.092 0.559 251 HD2 HIS 35 HD2 HIS 35 3.757 4.013 -1.964 252 HE1 HIS 35 HE1 HIS 35 5.525 3.405 1.844 253 H THR 36 H THR 36 6.109 9.711 -1.802 254 HA THR 36 HA THR 36 8.002 9.818 -4.060 255 HB THR 36 HB THR 36 6.665 11.402 -5.196 256 HG1 THR 36 HG1 THR 36 4.987 12.486 -4.251 257 HG21 THR 36 3HG2 THR 36 5.615 9.484 -5.812 258 HG22 THR 36 1HG2 THR 36 4.267 10.224 -4.950 259 HG23 THR 36 2HG2 THR 36 5.266 9.012 -4.149 260 H GLY 37 H GLY 37 6.524 11.638 -1.396 261 HA2 GLY 37 1HA GLY 37 8.030 13.967 -1.552 262 HA3 GLY 37 2HA GLY 37 7.365 13.308 -0.065 263 H GLU 38 H GLU 38 8.658 11.947 1.235 264 HA GLU 38 HA GLU 38 10.594 11.424 2.314 265 HB2 GLU 38 1HB GLU 38 11.923 11.145 -0.364 266 HB3 GLU 38 2HB GLU 38 12.167 10.193 1.094 267 HG2 GLU 38 1HG GLU 38 9.486 10.113 -0.162 268 HG3 GLU 38 2HG GLU 38 10.806 9.283 -0.984 269 H LYS 39 H LYS 39 10.112 14.236 1.441 270 HA LYS 39 HA LYS 39 12.234 15.653 0.545 271 HB2 LYS 39 1HB LYS 39 10.119 16.662 1.307 272 HB3 LYS 39 2HB LYS 39 10.582 16.362 2.977 273 HG2 LYS 39 1HG LYS 39 12.480 17.869 2.735 274 HG3 LYS 39 2HG LYS 39 12.042 18.157 1.049 275 HD2 LYS 39 1HD LYS 39 9.992 18.632 3.158 276 HD3 LYS 39 2HD LYS 39 11.291 19.810 2.963 277 HE2 LYS 39 1HE LYS 39 9.523 18.850 0.718 278 HE3 LYS 39 2HE LYS 39 9.224 20.315 1.653 279 HZ1 LYS 39 3HZ LYS 39 11.895 20.180 0.626 280 HZ2 LYS 39 1HZ LYS 39 10.755 21.424 0.507 281 HZ3 LYS 39 2HZ LYS 39 10.732 20.147 -0.602 282 HA PRO 40 HA PRO 40 15.369 14.164 3.443 283 HB2 PRO 40 1HB PRO 40 17.465 14.984 1.925 284 HB3 PRO 40 2HB PRO 40 16.589 13.479 1.621 285 HG2 PRO 40 1HG PRO 40 16.313 16.138 0.273 286 HG3 PRO 40 2HG PRO 40 16.343 14.517 -0.446 287 HD2 PRO 40 1HD PRO 40 14.043 15.885 -0.032 288 HD3 PRO 40 2HD PRO 40 14.131 14.114 0.062 289 H SER 41 H SER 41 16.998 15.223 4.709 290 HA SER 41 HA SER 41 16.569 18.128 4.895 291 HB2 SER 41 1HB SER 41 17.336 16.064 6.957 292 HB3 SER 41 2HB SER 41 17.524 17.793 7.247 293 HG SER 41 HG SER 41 15.163 17.772 6.491 294 H GLY 42 H GLY 42 18.645 19.041 6.253 295 HA2 GLY 42 1HA GLY 42 20.954 18.376 4.536 296 HA3 GLY 42 2HA GLY 42 20.634 19.975 5.191 297 HA PRO 43 HA PRO 43 23.152 19.176 8.683 298 HB2 PRO 43 1HB PRO 43 21.756 20.286 10.729 299 HB3 PRO 43 2HB PRO 43 22.566 21.247 9.487 300 HG2 PRO 43 1HG PRO 43 19.679 20.489 9.711 301 HG3 PRO 43 2HG PRO 43 20.394 22.049 9.267 302 HD2 PRO 43 1HD PRO 43 19.420 20.317 7.428 303 HD3 PRO 43 2HD PRO 43 20.795 21.390 7.095 304 H SER 44 H SER 44 20.294 17.564 8.268 305 HA SER 44 HA SER 44 20.570 16.052 10.778 306 HB2 SER 44 1HB SER 44 18.324 17.169 10.011 307 HB3 SER 44 2HB SER 44 18.209 15.765 8.951 308 HG SER 44 HG SER 44 18.531 15.698 11.772 309 H SER 45 H SER 45 22.275 14.732 10.098 310 HA SER 45 HA SER 45 21.519 12.719 8.084 311 HB2 SER 45 1HB SER 45 24.198 14.044 8.516 312 HB3 SER 45 2HB SER 45 24.021 12.534 7.623 313 HG SER 45 HG SER 45 23.018 15.095 6.987 314 H GLY 46 H GLY 46 21.696 10.639 8.689 315 HA2 GLY 46 1HA GLY 46 21.887 9.865 11.330 316 HA3 GLY 46 2HA GLY 46 22.161 8.788 9.969 Start of MODEL 10 1 H1 GLY 1 H GLY 1 11.855 -26.348 -12.323 2 HA2 GLY 1 1HA GLY 1 13.874 -25.076 -12.307 3 HA3 GLY 1 2HA GLY 1 13.065 -23.839 -13.258 4 H SER 2 H SER 2 11.459 -22.508 -12.187 5 HA SER 2 HA SER 2 11.852 -22.363 -9.271 6 HB2 SER 2 1HB SER 2 12.069 -20.015 -9.336 7 HB3 SER 2 2HB SER 2 13.065 -20.580 -10.677 8 HG SER 2 HG SER 2 11.498 -19.961 -12.101 9 H SER 3 H SER 3 10.098 -21.583 -8.045 10 HA SER 3 HA SER 3 7.520 -21.570 -9.475 11 HB2 SER 3 1HB SER 3 6.524 -22.581 -7.431 12 HB3 SER 3 2HB SER 3 7.724 -23.625 -8.192 13 HG SER 3 HG SER 3 8.163 -21.934 -5.953 14 H GLY 4 H GLY 4 5.747 -20.527 -8.103 15 HA2 GLY 4 1HA GLY 4 6.096 -18.774 -6.041 16 HA3 GLY 4 2HA GLY 4 6.623 -17.868 -7.451 17 H SER 5 H SER 5 4.115 -18.180 -5.482 18 HA SER 5 HA SER 5 2.096 -17.901 -7.607 19 HB2 SER 5 1HB SER 5 1.936 -18.887 -4.775 20 HB3 SER 5 2HB SER 5 0.498 -18.252 -5.573 21 HG SER 5 HG SER 5 0.639 -19.851 -7.092 22 H SER 6 H SER 6 1.572 -15.875 -8.051 23 HA SER 6 HA SER 6 1.003 -14.015 -5.898 24 HB2 SER 6 1HB SER 6 2.432 -12.232 -6.913 25 HB3 SER 6 2HB SER 6 3.358 -13.571 -6.235 26 HG SER 6 HG SER 6 3.995 -14.135 -8.182 27 H GLY 7 H GLY 7 -0.110 -12.079 -6.646 28 HA2 GLY 7 1HA GLY 7 -0.952 -10.994 -8.786 29 HA3 GLY 7 2HA GLY 7 -1.546 -12.602 -9.171 30 H THR 8 H THR 8 -2.605 -13.442 -6.804 31 HA THR 8 HA THR 8 -5.065 -11.988 -6.738 32 HB THR 8 HB THR 8 -5.279 -14.322 -6.452 33 HG1 THR 8 HG1 THR 8 -6.676 -13.235 -5.060 34 HG21 THR 8 3HG2 THR 8 -4.162 -15.301 -4.261 35 HG22 THR 8 1HG2 THR 8 -3.018 -13.989 -4.543 36 HG23 THR 8 2HG2 THR 8 -3.277 -15.215 -5.784 37 H ALA 9 H ALA 9 -5.862 -10.622 -5.214 38 HA ALA 9 HA ALA 9 -4.353 -10.170 -2.757 39 HB1 ALA 9 3HB ALA 9 -4.219 -8.423 -5.017 40 HB2 ALA 9 1HB ALA 9 -5.009 -7.593 -3.676 41 HB3 ALA 9 2HB ALA 9 -3.404 -8.292 -3.459 42 H GLU 10 H GLU 10 -5.747 -10.170 -1.129 43 HA GLU 10 HA GLU 10 -8.391 -10.476 -1.105 44 HB2 GLU 10 1HB GLU 10 -6.685 -10.079 0.857 45 HB3 GLU 10 2HB GLU 10 -7.331 -8.445 0.819 46 HG2 GLU 10 1HG GLU 10 -9.040 -10.902 1.093 47 HG3 GLU 10 2HG GLU 10 -8.412 -9.986 2.461 48 H LYS 11 H LYS 11 -6.761 -7.450 -1.770 49 HA LYS 11 HA LYS 11 -9.376 -6.240 -2.389 50 HB2 LYS 11 1HB LYS 11 -6.899 -4.806 -1.415 51 HB3 LYS 11 2HB LYS 11 -8.447 -4.060 -1.791 52 HG2 LYS 11 1HG LYS 11 -7.862 -5.991 0.443 53 HG3 LYS 11 2HG LYS 11 -8.230 -4.270 0.586 54 HD2 LYS 11 1HD LYS 11 -10.055 -6.520 -0.214 55 HD3 LYS 11 2HD LYS 11 -10.241 -5.368 1.111 56 HE2 LYS 11 1HE LYS 11 -10.196 -3.650 -0.930 57 HE3 LYS 11 2HE LYS 11 -10.822 -5.062 -1.780 58 HZ1 LYS 11 3HZ LYS 11 -12.791 -4.851 -0.793 59 HZ2 LYS 11 1HZ LYS 11 -12.293 -3.305 -0.323 60 HZ3 LYS 11 2HZ LYS 11 -12.115 -4.609 0.738 61 HA PRO 12 HA PRO 12 -7.962 -5.614 -6.499 62 HB2 PRO 12 1HB PRO 12 -9.296 -3.342 -7.156 63 HB3 PRO 12 2HB PRO 12 -10.093 -4.911 -6.992 64 HG2 PRO 12 1HG PRO 12 -9.940 -2.650 -5.036 65 HG3 PRO 12 2HG PRO 12 -11.329 -3.666 -5.465 66 HD2 PRO 12 1HD PRO 12 -9.869 -4.065 -3.219 67 HD3 PRO 12 2HD PRO 12 -10.643 -5.395 -4.104 68 H PHE 13 H PHE 13 -7.536 -3.109 -4.117 69 HA PHE 13 HA PHE 13 -5.601 -1.716 -5.819 70 HB2 PHE 13 1HB PHE 13 -6.511 -0.865 -3.072 71 HB3 PHE 13 2HB PHE 13 -5.757 0.122 -4.319 72 HD1 PHE 13 HD2 PHE 13 -8.856 -1.439 -3.180 73 HD2 PHE 13 HD1 PHE 13 -7.038 0.965 -6.185 74 HE1 PHE 13 HE2 PHE 13 -11.082 -0.768 -3.985 75 HE2 PHE 13 HE1 PHE 13 -9.261 1.641 -6.994 76 HZ PHE 13 HZ PHE 13 -11.287 0.774 -5.895 77 H ARG 14 H ARG 14 -3.457 -1.728 -5.434 78 HA ARG 14 HA ARG 14 -2.415 -2.672 -2.893 79 HB2 ARG 14 1HB ARG 14 -2.792 -4.710 -4.323 80 HB3 ARG 14 2HB ARG 14 -1.616 -4.055 -5.455 81 HG2 ARG 14 1HG ARG 14 0.047 -4.045 -3.586 82 HG3 ARG 14 2HG ARG 14 -1.140 -4.919 -2.615 83 HD2 ARG 14 1HD ARG 14 0.451 -6.455 -3.636 84 HD3 ARG 14 2HD ARG 14 -1.173 -6.715 -4.272 85 HE ARG 14 HE ARG 14 -0.114 -5.040 -6.083 86 HH11 ARG 14 1HH1 ARG 14 1.064 -7.988 -4.656 87 HH12 ARG 14 2HH1 ARG 14 1.985 -8.448 -6.050 88 HH21 ARG 14 1HH2 ARG 14 1.094 -5.634 -7.924 89 HH22 ARG 14 2HH2 ARG 14 2.002 -7.108 -7.908 90 H CYS 15 H CYS 15 -0.439 -1.836 -2.413 91 HA CYS 15 HA CYS 15 0.597 0.168 -4.249 92 HB2 CYS 15 1HB CYS 15 0.273 0.787 -1.901 93 HB3 CYS 15 2HB CYS 15 1.371 -0.495 -1.400 94 H ASP 16 H ASP 16 2.128 -0.335 -5.656 95 HA ASP 16 HA ASP 16 3.723 -2.723 -5.337 96 HB2 ASP 16 1HB ASP 16 2.732 -1.774 -7.534 97 HB3 ASP 16 2HB ASP 16 4.109 -0.676 -7.506 98 H THR 17 H THR 17 4.203 -0.837 -3.313 99 HA THR 17 HA THR 17 7.015 -0.176 -3.872 100 HB THR 17 HB THR 17 5.297 1.566 -2.116 101 HG1 THR 17 HG1 THR 17 5.890 1.974 -4.876 102 HG21 THR 17 3HG2 THR 17 7.087 3.225 -2.691 103 HG22 THR 17 1HG2 THR 17 7.961 1.918 -3.490 104 HG23 THR 17 2HG2 THR 17 7.649 1.840 -1.755 105 H CYS 18 H CYS 18 4.631 -0.394 -1.226 106 HA CYS 18 HA CYS 18 6.718 -1.670 0.418 107 HB2 CYS 18 1HB CYS 18 5.462 -0.858 2.386 108 HB3 CYS 18 2HB CYS 18 6.007 0.462 1.355 109 H ASP 19 H ASP 19 4.514 -2.686 -1.511 110 HA ASP 19 HA ASP 19 3.127 -4.483 -1.672 111 HB2 ASP 19 1HB ASP 19 4.898 -5.257 0.629 112 HB3 ASP 19 2HB ASP 19 3.586 -6.313 0.113 113 H LYS 20 H LYS 20 1.762 -2.449 -0.732 114 HA LYS 20 HA LYS 20 0.273 -3.461 1.600 115 HB2 LYS 20 1HB LYS 20 1.006 -0.728 0.701 116 HB3 LYS 20 2HB LYS 20 -0.585 -0.921 1.425 117 HG2 LYS 20 1HG LYS 20 0.649 -2.102 3.339 118 HG3 LYS 20 2HG LYS 20 2.107 -1.380 2.654 119 HD2 LYS 20 1HD LYS 20 1.457 0.759 3.182 120 HD3 LYS 20 2HD LYS 20 -0.262 0.362 3.142 121 HE2 LYS 20 1HE LYS 20 1.590 -0.719 5.248 122 HE3 LYS 20 2HE LYS 20 0.775 0.834 5.422 123 HZ1 LYS 20 3HZ LYS 20 -1.343 -0.260 5.260 124 HZ2 LYS 20 1HZ LYS 20 -0.434 -1.005 6.477 125 HZ3 LYS 20 2HZ LYS 20 -0.607 -1.755 4.971 126 H SER 21 H SER 21 -2.087 -2.510 1.539 127 HA SER 21 HA SER 21 -3.250 -2.411 -1.106 128 HB2 SER 21 1HB SER 21 -4.831 -4.333 -0.542 129 HB3 SER 21 2HB SER 21 -3.176 -4.781 -0.952 130 HG SER 21 HG SER 21 -3.061 -5.681 0.930 131 H PHE 22 H PHE 22 -5.325 -1.559 -1.128 132 HA PHE 22 HA PHE 22 -6.467 -0.818 1.478 133 HB2 PHE 22 1HB PHE 22 -6.229 1.003 -0.927 134 HB3 PHE 22 2HB PHE 22 -7.029 1.404 0.590 135 HD1 PHE 22 HD2 PHE 22 -3.720 0.182 -0.629 136 HD2 PHE 22 HD1 PHE 22 -5.850 2.633 2.123 137 HE1 PHE 22 HE2 PHE 22 -1.589 1.024 0.265 138 HE2 PHE 22 HE1 PHE 22 -3.721 3.479 3.021 139 HZ PHE 22 HZ PHE 22 -1.587 2.674 2.093 140 H ARG 23 H ARG 23 -8.753 0.264 0.972 141 HA ARG 23 HA ARG 23 -10.162 -1.664 -0.747 142 HB2 ARG 23 1HB ARG 23 -11.244 -0.066 1.581 143 HB3 ARG 23 2HB ARG 23 -12.123 -1.277 0.656 144 HG2 ARG 23 1HG ARG 23 -10.441 -2.961 1.415 145 HG3 ARG 23 2HG ARG 23 -9.772 -1.721 2.477 146 HD2 ARG 23 1HD ARG 23 -12.281 -1.507 3.249 147 HD3 ARG 23 2HD ARG 23 -12.378 -3.154 2.627 148 HE ARG 23 HE ARG 23 -11.000 -2.267 4.999 149 HH11 ARG 23 1HH1 ARG 23 -11.287 -4.760 2.586 150 HH12 ARG 23 2HH1 ARG 23 -10.594 -5.991 3.589 151 HH21 ARG 23 1HH2 ARG 23 -10.086 -3.879 6.329 152 HH22 ARG 23 2HH2 ARG 23 -9.912 -5.489 5.718 153 H GLN 24 H GLN 24 -9.848 1.737 0.079 154 HA GLN 24 HA GLN 24 -11.743 2.454 -2.037 155 HB2 GLN 24 1HB GLN 24 -10.403 4.381 -0.155 156 HB3 GLN 24 2HB GLN 24 -11.899 4.594 -1.056 157 HG2 GLN 24 1HG GLN 24 -11.751 2.417 0.962 158 HG3 GLN 24 2HG GLN 24 -11.908 4.082 1.517 159 HE21 GLN 24 1HE2 GLN 24 -13.958 3.481 2.374 160 HE22 GLN 24 2HE2 GLN 24 -15.342 3.376 1.344 161 H ARG 25 H ARG 25 -11.080 3.185 -3.949 162 HA ARG 25 HA ARG 25 -8.453 3.098 -4.809 163 HB2 ARG 25 1HB ARG 25 -10.514 3.161 -6.250 164 HB3 ARG 25 2HB ARG 25 -10.587 4.894 -5.965 165 HG2 ARG 25 1HG ARG 25 -8.463 5.210 -7.056 166 HG3 ARG 25 2HG ARG 25 -8.263 3.466 -7.237 167 HD2 ARG 25 1HD ARG 25 -10.482 3.557 -8.531 168 HD3 ARG 25 2HD ARG 25 -10.198 5.295 -8.619 169 HE ARG 25 HE ARG 25 -7.976 3.686 -9.499 170 HH11 ARG 25 1HH1 ARG 25 -10.938 5.264 -10.425 171 HH12 ARG 25 2HH1 ARG 25 -10.506 5.380 -12.099 172 HH21 ARG 25 1HH2 ARG 25 -7.396 3.831 -11.700 173 HH22 ARG 25 2HH2 ARG 25 -8.491 4.563 -12.823 174 H SER 26 H SER 26 -10.241 5.753 -3.371 175 HA SER 26 HA SER 26 -8.249 7.735 -3.921 176 HB2 SER 26 1HB SER 26 -10.593 8.369 -3.597 177 HB3 SER 26 2HB SER 26 -10.543 7.756 -1.944 178 HG SER 26 HG SER 26 -9.629 9.544 -1.336 179 H ALA 27 H ALA 27 -8.551 5.242 -1.641 180 HA ALA 27 HA ALA 27 -7.000 6.520 0.438 181 HB1 ALA 27 3HB ALA 27 -8.041 3.718 0.092 182 HB2 ALA 27 1HB ALA 27 -7.054 4.221 1.464 183 HB3 ALA 27 2HB ALA 27 -8.628 4.968 1.189 184 H LEU 28 H LEU 28 -6.474 4.226 -2.175 185 HA LEU 28 HA LEU 28 -3.735 3.723 -1.379 186 HB2 LEU 28 1HB LEU 28 -4.647 1.835 -2.323 187 HB3 LEU 28 2HB LEU 28 -5.550 2.748 -3.531 188 HG LEU 28 HG LEU 28 -3.078 3.243 -4.409 189 HD11 LEU 28 1HD1 LEU 28 -2.076 1.920 -2.556 190 HD12 LEU 28 2HD1 LEU 28 -1.635 1.349 -4.165 191 HD13 LEU 28 3HD1 LEU 28 -2.849 0.482 -3.225 192 HD21 LEU 28 3HD2 LEU 28 -3.714 2.008 -6.174 193 HD22 LEU 28 1HD2 LEU 28 -5.225 1.832 -5.282 194 HD23 LEU 28 2HD2 LEU 28 -3.999 0.568 -5.196 195 H ASN 29 H ASN 29 -5.404 5.289 -4.103 196 HA ASN 29 HA ASN 29 -3.235 6.104 -5.588 197 HB2 ASN 29 1HB ASN 29 -5.960 7.265 -5.141 198 HB3 ASN 29 2HB ASN 29 -4.782 8.173 -6.084 199 HD21 ASN 29 1HD2 ASN 29 -7.021 7.461 -7.323 200 HD22 ASN 29 2HD2 ASN 29 -6.739 6.174 -8.440 201 H SER 30 H SER 30 -4.369 7.331 -2.543 202 HA SER 30 HA SER 30 -2.691 9.701 -2.685 203 HB2 SER 30 1HB SER 30 -4.737 8.660 -0.765 204 HB3 SER 30 2HB SER 30 -3.566 9.852 -0.201 205 HG SER 30 HG SER 30 -4.368 10.834 -2.427 206 H HIS 31 H HIS 31 -2.794 6.592 -1.036 207 HA HIS 31 HA HIS 31 -0.681 7.029 0.764 208 HB2 HIS 31 1HB HIS 31 -2.020 5.147 1.202 209 HB3 HIS 31 2HB HIS 31 -1.881 4.552 -0.450 210 HD1 HIS 31 HD1 HIS 31 0.066 4.779 2.765 211 HD2 HIS 31 HD2 HIS 31 0.272 2.891 -0.930 212 HE1 HIS 31 HE1 HIS 31 1.922 3.095 2.973 213 H ARG 32 H ARG 32 -0.729 5.852 -2.565 214 HA ARG 32 HA ARG 32 1.955 5.074 -2.753 215 HB2 ARG 32 1HB ARG 32 0.150 6.178 -4.913 216 HB3 ARG 32 2HB ARG 32 1.661 5.322 -5.188 217 HG2 ARG 32 1HG ARG 32 0.555 3.412 -3.850 218 HG3 ARG 32 2HG ARG 32 -0.951 4.265 -4.195 219 HD2 ARG 32 1HD ARG 32 -0.728 2.700 -5.930 220 HD3 ARG 32 2HD ARG 32 -0.221 4.236 -6.632 221 HE ARG 32 HE ARG 32 1.485 1.956 -5.999 222 HH11 ARG 32 1HH1 ARG 32 1.189 5.233 -7.136 223 HH12 ARG 32 2HH1 ARG 32 2.757 5.257 -7.871 224 HH21 ARG 32 1HH2 ARG 32 3.552 1.976 -6.963 225 HH22 ARG 32 2HH2 ARG 32 4.100 3.404 -7.773 226 H MET 33 H MET 33 0.466 8.204 -2.775 227 HA MET 33 HA MET 33 2.473 9.683 -4.066 228 HB2 MET 33 1HB MET 33 0.574 10.541 -1.876 229 HB3 MET 33 2HB MET 33 1.520 11.633 -2.878 230 HG2 MET 33 1HG MET 33 0.323 10.430 -4.846 231 HG3 MET 33 2HG MET 33 -0.836 9.960 -3.605 232 HE1 MET 33 3HE MET 33 -2.797 12.698 -5.394 233 HE2 MET 33 1HE MET 33 -2.248 11.025 -5.504 234 HE3 MET 33 2HE MET 33 -3.153 11.565 -4.089 235 H ILE 34 H ILE 34 2.006 8.881 -0.641 236 HA ILE 34 HA ILE 34 4.040 10.341 0.500 237 HB ILE 34 HB ILE 34 3.890 8.984 2.361 238 HG12 ILE 34 1HG1 ILE 34 3.547 6.741 0.396 239 HG13 ILE 34 2HG1 ILE 34 4.745 6.922 1.673 240 HG21 ILE 34 1HG2 ILE 34 1.631 9.788 1.403 241 HG22 ILE 34 2HG2 ILE 34 1.348 8.082 1.064 242 HG23 ILE 34 3HG2 ILE 34 1.626 8.617 2.721 243 HD11 ILE 34 3HD1 ILE 34 3.095 6.447 3.352 244 HD12 ILE 34 1HD1 ILE 34 1.819 6.408 2.136 245 HD13 ILE 34 2HD1 ILE 34 3.077 5.172 2.133 246 H HIS 35 H HIS 35 4.259 7.471 -1.461 247 HA HIS 35 HA HIS 35 7.031 6.980 -0.808 248 HB2 HIS 35 1HB HIS 35 5.273 5.777 -2.957 249 HB3 HIS 35 2HB HIS 35 6.884 5.213 -2.524 250 HD1 HIS 35 HD1 HIS 35 6.784 5.000 0.451 251 HD2 HIS 35 HD2 HIS 35 3.571 3.936 -1.959 252 HE1 HIS 35 HE1 HIS 35 5.410 3.406 1.828 253 H THR 36 H THR 36 6.646 9.589 -1.709 254 HA THR 36 HA THR 36 8.134 9.520 -4.248 255 HB THR 36 HB THR 36 7.013 11.536 -5.010 256 HG1 THR 36 HG1 THR 36 6.508 12.100 -2.644 257 HG21 THR 36 3HG2 THR 36 4.574 10.564 -5.005 258 HG22 THR 36 1HG2 THR 36 5.358 9.159 -4.283 259 HG23 THR 36 2HG2 THR 36 5.865 9.732 -5.872 260 H GLY 37 H GLY 37 9.369 9.575 -1.766 261 HA2 GLY 37 1HA GLY 37 11.345 11.314 -1.833 262 HA3 GLY 37 2HA GLY 37 10.066 12.370 -1.250 263 H GLU 38 H GLU 38 12.416 11.863 0.188 264 HA GLU 38 HA GLU 38 13.168 11.269 2.253 265 HB2 GLU 38 1HB GLU 38 11.120 12.588 2.852 266 HB3 GLU 38 2HB GLU 38 10.236 11.072 2.952 267 HG2 GLU 38 1HG GLU 38 11.392 10.375 4.841 268 HG3 GLU 38 2HG GLU 38 12.714 11.507 4.567 269 H LYS 39 H LYS 39 13.123 9.177 0.470 270 HA LYS 39 HA LYS 39 12.261 6.898 2.128 271 HB2 LYS 39 1HB LYS 39 12.092 5.583 0.100 272 HB3 LYS 39 2HB LYS 39 11.127 7.043 -0.066 273 HG2 LYS 39 1HG LYS 39 13.355 7.950 -1.170 274 HG3 LYS 39 2HG LYS 39 13.602 6.230 -1.479 275 HD2 LYS 39 1HD LYS 39 11.690 6.070 -2.804 276 HD3 LYS 39 2HD LYS 39 10.995 7.553 -2.144 277 HE2 LYS 39 1HE LYS 39 13.453 7.417 -3.887 278 HE3 LYS 39 2HE LYS 39 11.833 7.813 -4.458 279 HZ1 LYS 39 3HZ LYS 39 13.527 9.371 -2.592 280 HZ2 LYS 39 1HZ LYS 39 11.877 9.679 -2.803 281 HZ3 LYS 39 2HZ LYS 39 12.942 9.845 -4.106 282 HA PRO 40 HA PRO 40 16.493 5.796 2.625 283 HB2 PRO 40 1HB PRO 40 16.198 3.144 3.127 284 HB3 PRO 40 2HB PRO 40 15.778 4.397 4.301 285 HG2 PRO 40 1HG PRO 40 13.996 2.867 2.444 286 HG3 PRO 40 2HG PRO 40 13.741 3.285 4.148 287 HD2 PRO 40 1HD PRO 40 12.587 4.662 2.123 288 HD3 PRO 40 2HD PRO 40 13.060 5.430 3.651 289 H SER 41 H SER 41 14.621 3.418 0.728 290 HA SER 41 HA SER 41 16.369 3.661 -1.524 291 HB2 SER 41 1HB SER 41 16.633 1.321 0.333 292 HB3 SER 41 2HB SER 41 16.898 1.098 -1.396 293 HG SER 41 HG SER 41 18.256 3.213 -0.836 294 H GLY 42 H GLY 42 15.214 3.271 -3.301 295 HA2 GLY 42 1HA GLY 42 12.542 2.201 -3.043 296 HA3 GLY 42 2HA GLY 42 13.271 2.852 -4.503 297 HA PRO 43 HA PRO 43 12.896 -1.681 -5.161 298 HB2 PRO 43 1HB PRO 43 12.251 -1.460 -7.790 299 HB3 PRO 43 2HB PRO 43 11.054 -1.346 -6.494 300 HG2 PRO 43 1HG PRO 43 12.400 0.844 -8.028 301 HG3 PRO 43 2HG PRO 43 10.697 0.692 -7.557 302 HD2 PRO 43 1HD PRO 43 12.448 2.256 -6.208 303 HD3 PRO 43 2HD PRO 43 11.096 1.429 -5.410 304 H SER 44 H SER 44 14.150 -3.090 -6.527 305 HA SER 44 HA SER 44 16.782 -2.041 -7.045 306 HB2 SER 44 1HB SER 44 16.490 -4.263 -6.025 307 HB3 SER 44 2HB SER 44 15.668 -4.824 -7.481 308 HG SER 44 HG SER 44 17.622 -5.363 -8.058 309 H SER 45 H SER 45 14.225 -3.562 -8.991 310 HA SER 45 HA SER 45 15.528 -2.468 -11.398 311 HB2 SER 45 1HB SER 45 14.729 -4.313 -12.662 312 HB3 SER 45 2HB SER 45 15.376 -5.007 -11.175 313 HG SER 45 HG SER 45 13.342 -5.889 -11.655 314 H GLY 46 H GLY 46 14.171 -1.639 -13.063 315 HA2 GLY 46 1HA GLY 46 11.366 -1.435 -12.865 316 HA3 GLY 46 2HA GLY 46 12.093 0.007 -12.171 Start of MODEL 11 1 H1 GLY 1 H GLY 1 18.174 -19.009 -3.328 2 HA2 GLY 1 1HA GLY 1 15.904 -19.664 -5.073 3 HA3 GLY 1 2HA GLY 1 16.039 -20.481 -3.523 4 H SER 2 H SER 2 14.619 -17.953 -5.087 5 HA SER 2 HA SER 2 14.636 -16.068 -2.890 6 HB2 SER 2 1HB SER 2 13.368 -16.117 -5.617 7 HB3 SER 2 2HB SER 2 12.879 -14.918 -4.419 8 HG SER 2 HG SER 2 15.010 -14.190 -4.339 9 H SER 3 H SER 3 12.596 -15.263 -1.959 10 HA SER 3 HA SER 3 10.846 -17.515 -1.314 11 HB2 SER 3 1HB SER 3 10.997 -14.794 0.003 12 HB3 SER 3 2HB SER 3 10.144 -16.213 0.609 13 HG SER 3 HG SER 3 12.100 -16.110 1.654 14 H GLY 4 H GLY 4 8.573 -17.354 -1.385 15 HA2 GLY 4 1HA GLY 4 7.627 -15.571 -3.498 16 HA3 GLY 4 2HA GLY 4 6.775 -16.969 -2.860 17 H SER 5 H SER 5 7.976 -13.809 -1.722 18 HA SER 5 HA SER 5 5.860 -13.624 0.228 19 HB2 SER 5 1HB SER 5 6.855 -11.341 0.644 20 HB3 SER 5 2HB SER 5 7.978 -12.685 0.851 21 HG SER 5 HG SER 5 8.165 -10.593 -0.801 22 H SER 6 H SER 6 4.787 -13.912 -2.308 23 HA SER 6 HA SER 6 3.206 -11.492 -2.483 24 HB2 SER 6 1HB SER 6 3.543 -11.287 -4.949 25 HB3 SER 6 2HB SER 6 4.996 -10.927 -4.016 26 HG SER 6 HG SER 6 4.952 -12.518 -5.968 27 H GLY 7 H GLY 7 1.198 -12.242 -2.402 28 HA2 GLY 7 1HA GLY 7 0.555 -14.658 -3.979 29 HA3 GLY 7 2HA GLY 7 -0.129 -14.361 -2.388 30 H THR 8 H THR 8 -1.630 -12.616 -2.132 31 HA THR 8 HA THR 8 -2.589 -11.109 -4.340 32 HB THR 8 HB THR 8 -4.689 -13.029 -3.461 33 HG1 THR 8 HG1 THR 8 -3.718 -14.681 -4.341 34 HG21 THR 8 3HG2 THR 8 -4.087 -11.880 -6.182 35 HG22 THR 8 1HG2 THR 8 -5.071 -11.050 -4.977 36 HG23 THR 8 2HG2 THR 8 -5.594 -12.606 -5.624 37 H ALA 9 H ALA 9 -3.514 -9.333 -3.545 38 HA ALA 9 HA ALA 9 -4.098 -9.185 -0.714 39 HB1 ALA 9 3HB ALA 9 -3.317 -7.350 -2.748 40 HB2 ALA 9 1HB ALA 9 -4.807 -6.771 -2.001 41 HB3 ALA 9 2HB ALA 9 -3.390 -7.104 -1.003 42 H GLU 10 H GLU 10 -6.040 -9.463 0.154 43 HA GLU 10 HA GLU 10 -8.295 -10.332 -1.046 44 HB2 GLU 10 1HB GLU 10 -8.044 -10.194 1.383 45 HB3 GLU 10 2HB GLU 10 -8.184 -8.443 1.312 46 HG2 GLU 10 1HG GLU 10 -10.474 -8.801 0.303 47 HG3 GLU 10 2HG GLU 10 -10.303 -10.494 0.761 48 H LYS 11 H LYS 11 -7.063 -7.108 -1.142 49 HA LYS 11 HA LYS 11 -9.533 -6.155 -2.424 50 HB2 LYS 11 1HB LYS 11 -7.240 -4.603 -1.209 51 HB3 LYS 11 2HB LYS 11 -8.624 -3.877 -2.014 52 HG2 LYS 11 1HG LYS 11 -8.496 -5.289 0.613 53 HG3 LYS 11 2HG LYS 11 -9.179 -3.709 0.220 54 HD2 LYS 11 1HD LYS 11 -10.308 -6.380 -0.622 55 HD3 LYS 11 2HD LYS 11 -10.929 -5.362 0.680 56 HE2 LYS 11 1HE LYS 11 -10.996 -3.563 -1.263 57 HE3 LYS 11 2HE LYS 11 -11.100 -5.008 -2.267 58 HZ1 LYS 11 3HZ LYS 11 -13.195 -5.358 -1.646 59 HZ2 LYS 11 1HZ LYS 11 -13.185 -3.779 -1.038 60 HZ3 LYS 11 2HZ LYS 11 -12.867 -5.083 -0.009 61 HA PRO 12 HA PRO 12 -7.607 -5.907 -6.361 62 HB2 PRO 12 1HB PRO 12 -8.811 -3.708 -7.402 63 HB3 PRO 12 2HB PRO 12 -9.648 -5.250 -7.187 64 HG2 PRO 12 1HG PRO 12 -9.707 -2.806 -5.460 65 HG3 PRO 12 2HG PRO 12 -11.046 -3.855 -5.959 66 HD2 PRO 12 1HD PRO 12 -9.888 -4.033 -3.518 67 HD3 PRO 12 2HD PRO 12 -10.565 -5.442 -4.359 68 H PHE 13 H PHE 13 -7.632 -2.971 -4.404 69 HA PHE 13 HA PHE 13 -5.527 -1.724 -5.929 70 HB2 PHE 13 1HB PHE 13 -6.500 -0.886 -3.200 71 HB3 PHE 13 2HB PHE 13 -5.731 0.112 -4.430 72 HD1 PHE 13 HD2 PHE 13 -8.831 -1.607 -3.464 73 HD2 PHE 13 HD1 PHE 13 -6.986 1.066 -6.214 74 HE1 PHE 13 HE2 PHE 13 -11.047 -0.959 -4.315 75 HE2 PHE 13 HE1 PHE 13 -9.199 1.719 -7.069 76 HZ PHE 13 HZ PHE 13 -11.233 0.705 -6.121 77 H ARG 14 H ARG 14 -3.397 -1.823 -5.571 78 HA ARG 14 HA ARG 14 -2.379 -2.707 -2.989 79 HB2 ARG 14 1HB ARG 14 -2.738 -4.750 -4.428 80 HB3 ARG 14 2HB ARG 14 -1.529 -4.101 -5.528 81 HG2 ARG 14 1HG ARG 14 0.094 -4.104 -3.639 82 HG3 ARG 14 2HG ARG 14 -1.124 -4.929 -2.665 83 HD2 ARG 14 1HD ARG 14 -1.069 -6.844 -4.026 84 HD3 ARG 14 2HD ARG 14 -0.228 -5.997 -5.324 85 HE ARG 14 HE ARG 14 1.567 -5.857 -3.356 86 HH11 ARG 14 1HH1 ARG 14 -0.338 -8.524 -4.530 87 HH12 ARG 14 2HH1 ARG 14 0.845 -9.721 -4.116 88 HH21 ARG 14 1HH2 ARG 14 3.132 -7.423 -2.806 89 HH22 ARG 14 2HH2 ARG 14 2.818 -9.093 -3.135 90 H CYS 15 H CYS 15 -0.431 -1.835 -2.484 91 HA CYS 15 HA CYS 15 0.621 0.159 -4.316 92 HB2 CYS 15 1HB CYS 15 0.276 0.754 -1.956 93 HB3 CYS 15 2HB CYS 15 1.404 -0.507 -1.470 94 H ASP 16 H ASP 16 2.172 -0.322 -5.708 95 HA ASP 16 HA ASP 16 3.769 -2.710 -5.392 96 HB2 ASP 16 1HB ASP 16 2.796 -1.790 -7.593 97 HB3 ASP 16 2HB ASP 16 4.129 -0.640 -7.548 98 H THR 17 H THR 17 4.222 -0.811 -3.362 99 HA THR 17 HA THR 17 7.040 -0.153 -3.893 100 HB THR 17 HB THR 17 5.228 1.590 -2.221 101 HG1 THR 17 HG1 THR 17 4.978 1.410 -4.726 102 HG21 THR 17 3HG2 THR 17 7.929 1.433 -2.196 103 HG22 THR 17 1HG2 THR 17 7.028 2.908 -1.850 104 HG23 THR 17 2HG2 THR 17 7.689 2.636 -3.463 105 H CYS 18 H CYS 18 4.604 -0.447 -1.305 106 HA CYS 18 HA CYS 18 6.689 -1.664 0.386 107 HB2 CYS 18 1HB CYS 18 5.384 -0.890 2.329 108 HB3 CYS 18 2HB CYS 18 5.887 0.451 1.305 109 H ASP 19 H ASP 19 4.362 -2.594 -1.563 110 HA ASP 19 HA ASP 19 3.072 -4.456 -1.774 111 HB2 ASP 19 1HB ASP 19 4.867 -5.233 0.503 112 HB3 ASP 19 2HB ASP 19 3.552 -6.297 0.011 113 H LYS 20 H LYS 20 1.659 -2.472 -0.822 114 HA LYS 20 HA LYS 20 0.166 -3.556 1.476 115 HB2 LYS 20 1HB LYS 20 0.880 -0.785 0.673 116 HB3 LYS 20 2HB LYS 20 -0.701 -1.024 1.405 117 HG2 LYS 20 1HG LYS 20 0.568 -2.262 3.260 118 HG3 LYS 20 2HG LYS 20 2.009 -1.493 2.590 119 HD2 LYS 20 1HD LYS 20 1.314 0.625 3.179 120 HD3 LYS 20 2HD LYS 20 -0.393 0.175 3.194 121 HE2 LYS 20 1HE LYS 20 -0.218 -0.862 5.283 122 HE3 LYS 20 2HE LYS 20 1.539 -0.967 5.184 123 HZ1 LYS 20 3HZ LYS 20 1.796 1.205 5.787 124 HZ2 LYS 20 1HZ LYS 20 0.387 0.840 6.650 125 HZ3 LYS 20 2HZ LYS 20 0.289 1.685 5.188 126 H SER 21 H SER 21 -2.196 -2.585 1.421 127 HA SER 21 HA SER 21 -3.313 -2.468 -1.253 128 HB2 SER 21 1HB SER 21 -4.990 -4.321 -0.569 129 HB3 SER 21 2HB SER 21 -3.384 -4.809 -1.110 130 HG SER 21 HG SER 21 -4.435 -4.751 1.505 131 H PHE 22 H PHE 22 -5.350 -1.540 -1.330 132 HA PHE 22 HA PHE 22 -6.517 -0.710 1.239 133 HB2 PHE 22 1HB PHE 22 -6.131 1.054 -1.189 134 HB3 PHE 22 2HB PHE 22 -6.991 1.514 0.278 135 HD1 PHE 22 HD2 PHE 22 -3.665 0.211 -0.794 136 HD2 PHE 22 HD1 PHE 22 -5.852 2.689 1.887 137 HE1 PHE 22 HE2 PHE 22 -1.554 1.005 0.188 138 HE2 PHE 22 HE1 PHE 22 -3.744 3.488 2.873 139 HZ PHE 22 HZ PHE 22 -1.592 2.645 2.025 140 H ARG 23 H ARG 23 -8.788 -0.078 1.096 141 HA ARG 23 HA ARG 23 -10.206 -1.806 -0.767 142 HB2 ARG 23 1HB ARG 23 -10.611 -1.456 1.831 143 HB3 ARG 23 2HB ARG 23 -11.624 -0.137 1.258 144 HG2 ARG 23 1HG ARG 23 -11.891 -3.023 0.440 145 HG3 ARG 23 2HG ARG 23 -12.898 -2.191 1.627 146 HD2 ARG 23 1HD ARG 23 -13.309 -0.510 -0.326 147 HD3 ARG 23 2HD ARG 23 -12.785 -1.855 -1.339 148 HE ARG 23 HE ARG 23 -14.797 -2.640 0.523 149 HH11 ARG 23 1HH1 ARG 23 -14.271 -1.044 -2.526 150 HH12 ARG 23 2HH1 ARG 23 -15.849 -1.410 -3.139 151 HH21 ARG 23 1HH2 ARG 23 -16.878 -3.129 -0.273 152 HH22 ARG 23 2HH2 ARG 23 -17.332 -2.596 -1.856 153 H GLN 24 H GLN 24 -9.847 1.605 -0.009 154 HA GLN 24 HA GLN 24 -11.703 2.289 -2.177 155 HB2 GLN 24 1HB GLN 24 -10.480 4.243 -0.243 156 HB3 GLN 24 2HB GLN 24 -11.940 4.427 -1.206 157 HG2 GLN 24 1HG GLN 24 -12.829 4.040 0.860 158 HG3 GLN 24 2HG GLN 24 -12.780 2.402 0.209 159 HE21 GLN 24 1HE2 GLN 24 -12.936 2.772 2.889 160 HE22 GLN 24 2HE2 GLN 24 -11.445 2.329 3.642 161 H ARG 25 H ARG 25 -11.028 3.241 -4.012 162 HA ARG 25 HA ARG 25 -8.347 3.131 -4.787 163 HB2 ARG 25 1HB ARG 25 -10.344 3.173 -6.311 164 HB3 ARG 25 2HB ARG 25 -10.472 4.900 -6.002 165 HG2 ARG 25 1HG ARG 25 -8.132 5.131 -6.877 166 HG3 ARG 25 2HG ARG 25 -8.234 3.442 -7.379 167 HD2 ARG 25 1HD ARG 25 -8.798 4.759 -9.271 168 HD3 ARG 25 2HD ARG 25 -10.300 4.059 -8.669 169 HE ARG 25 HE ARG 25 -10.218 6.465 -7.446 170 HH11 ARG 25 1HH1 ARG 25 -9.884 5.468 -10.765 171 HH12 ARG 25 2HH1 ARG 25 -10.540 6.936 -11.408 172 HH21 ARG 25 1HH2 ARG 25 -11.084 8.403 -8.281 173 HH22 ARG 25 2HH2 ARG 25 -11.222 8.605 -9.994 174 H SER 26 H SER 26 -10.174 5.645 -3.222 175 HA SER 26 HA SER 26 -8.283 7.738 -3.743 176 HB2 SER 26 1HB SER 26 -10.753 8.062 -3.244 177 HB3 SER 26 2HB SER 26 -10.373 7.699 -1.560 178 HG SER 26 HG SER 26 -10.366 9.997 -2.255 179 H ALA 27 H ALA 27 -8.504 5.167 -1.504 180 HA ALA 27 HA ALA 27 -6.889 6.409 0.543 181 HB1 ALA 27 3HB ALA 27 -7.455 4.660 1.840 182 HB2 ALA 27 1HB ALA 27 -8.679 4.381 0.601 183 HB3 ALA 27 2HB ALA 27 -7.162 3.482 0.561 184 H LEU 28 H LEU 28 -6.424 4.205 -2.152 185 HA LEU 28 HA LEU 28 -3.657 3.702 -1.446 186 HB2 LEU 28 1HB LEU 28 -4.571 1.822 -2.398 187 HB3 LEU 28 2HB LEU 28 -5.535 2.744 -3.549 188 HG LEU 28 HG LEU 28 -3.107 3.295 -4.514 189 HD11 LEU 28 1HD1 LEU 28 -2.816 0.557 -3.285 190 HD12 LEU 28 2HD1 LEU 28 -1.933 2.006 -2.806 191 HD13 LEU 28 3HD1 LEU 28 -1.689 1.316 -4.410 192 HD21 LEU 28 3HD2 LEU 28 -4.019 0.626 -5.325 193 HD22 LEU 28 1HD2 LEU 28 -3.799 2.093 -6.279 194 HD23 LEU 28 2HD2 LEU 28 -5.269 1.871 -5.330 195 H ASN 29 H ASN 29 -5.432 5.303 -4.081 196 HA ASN 29 HA ASN 29 -3.317 6.171 -5.617 197 HB2 ASN 29 1HB ASN 29 -6.050 7.262 -5.080 198 HB3 ASN 29 2HB ASN 29 -4.915 8.234 -6.012 199 HD21 ASN 29 1HD2 ASN 29 -7.163 7.500 -7.229 200 HD22 ASN 29 2HD2 ASN 29 -6.868 6.262 -8.397 201 H SER 30 H SER 30 -4.376 7.326 -2.519 202 HA SER 30 HA SER 30 -2.711 9.710 -2.671 203 HB2 SER 30 1HB SER 30 -4.799 10.063 -1.573 204 HB3 SER 30 2HB SER 30 -4.586 8.635 -0.560 205 HG SER 30 HG SER 30 -3.189 11.095 -0.437 206 H HIS 31 H HIS 31 -2.822 6.605 -1.007 207 HA HIS 31 HA HIS 31 -0.699 7.015 0.775 208 HB2 HIS 31 1HB HIS 31 -2.016 5.120 1.196 209 HB3 HIS 31 2HB HIS 31 -1.902 4.557 -0.469 210 HD1 HIS 31 HD1 HIS 31 0.006 4.626 2.757 211 HD2 HIS 31 HD2 HIS 31 0.331 3.001 -1.053 212 HE1 HIS 31 HE1 HIS 31 1.887 2.963 2.894 213 H ARG 32 H ARG 32 -0.751 6.008 -2.595 214 HA ARG 32 HA ARG 32 1.924 5.181 -2.812 215 HB2 ARG 32 1HB ARG 32 0.093 6.382 -4.897 216 HB3 ARG 32 2HB ARG 32 1.631 5.603 -5.246 217 HG2 ARG 32 1HG ARG 32 0.682 3.541 -4.122 218 HG3 ARG 32 2HG ARG 32 -0.882 4.356 -4.182 219 HD2 ARG 32 1HD ARG 32 -0.931 3.144 -6.137 220 HD3 ARG 32 2HD ARG 32 -0.288 4.685 -6.702 221 HE ARG 32 HE ARG 32 1.156 2.169 -6.463 222 HH11 ARG 32 1HH1 ARG 32 1.246 5.590 -7.101 223 HH12 ARG 32 2HH1 ARG 32 2.780 5.533 -7.903 224 HH21 ARG 32 1HH2 ARG 32 3.177 2.080 -7.517 225 HH22 ARG 32 2HH2 ARG 32 3.878 3.536 -8.140 226 H MET 33 H MET 33 0.475 8.331 -2.708 227 HA MET 33 HA MET 33 2.512 9.836 -3.918 228 HB2 MET 33 1HB MET 33 0.574 10.599 -1.728 229 HB3 MET 33 2HB MET 33 1.584 11.740 -2.604 230 HG2 MET 33 1HG MET 33 0.410 10.574 -4.683 231 HG3 MET 33 2HG MET 33 -0.840 10.289 -3.474 232 HE1 MET 33 3HE MET 33 -2.963 12.561 -3.772 233 HE2 MET 33 1HE MET 33 -2.189 11.628 -2.490 234 HE3 MET 33 2HE MET 33 -2.216 13.389 -2.405 235 H ILE 34 H ILE 34 2.023 8.857 -0.546 236 HA ILE 34 HA ILE 34 4.062 10.249 0.679 237 HB ILE 34 HB ILE 34 3.881 8.809 2.473 238 HG12 ILE 34 1HG1 ILE 34 3.532 6.662 0.404 239 HG13 ILE 34 2HG1 ILE 34 4.724 6.773 1.694 240 HG21 ILE 34 1HG2 ILE 34 1.606 8.414 2.790 241 HG22 ILE 34 2HG2 ILE 34 1.644 9.686 1.571 242 HG23 ILE 34 3HG2 ILE 34 1.342 8.016 1.092 243 HD11 ILE 34 3HD1 ILE 34 3.036 6.260 3.341 244 HD12 ILE 34 1HD1 ILE 34 1.790 6.243 2.093 245 HD13 ILE 34 2HD1 ILE 34 3.061 5.019 2.088 246 H HIS 35 H HIS 35 4.269 7.542 -1.478 247 HA HIS 35 HA HIS 35 7.021 6.943 -0.811 248 HB2 HIS 35 1HB HIS 35 5.260 5.918 -3.047 249 HB3 HIS 35 2HB HIS 35 6.866 5.307 -2.660 250 HD1 HIS 35 HD1 HIS 35 6.730 4.937 0.323 251 HD2 HIS 35 HD2 HIS 35 3.581 3.972 -2.209 252 HE1 HIS 35 HE1 HIS 35 5.352 3.248 1.577 253 H THR 36 H THR 36 5.304 8.152 -3.692 254 HA THR 36 HA THR 36 7.279 8.642 -5.441 255 HB THR 36 HB THR 36 6.050 10.471 -6.351 256 HG1 THR 36 HG1 THR 36 5.144 10.770 -3.698 257 HG21 THR 36 3HG2 THR 36 3.916 9.529 -6.613 258 HG22 THR 36 1HG2 THR 36 3.917 8.853 -4.985 259 HG23 THR 36 2HG2 THR 36 4.953 8.155 -6.230 260 H GLY 37 H GLY 37 9.074 9.851 -5.622 261 HA2 GLY 37 1HA GLY 37 9.937 11.367 -3.308 262 HA3 GLY 37 2HA GLY 37 10.896 10.998 -4.733 263 H GLU 38 H GLU 38 9.613 13.465 -3.047 264 HA GLU 38 HA GLU 38 10.015 15.339 -5.163 265 HB2 GLU 38 1HB GLU 38 7.779 16.273 -5.263 266 HB3 GLU 38 2HB GLU 38 7.731 14.572 -5.706 267 HG2 GLU 38 1HG GLU 38 7.004 14.055 -3.385 268 HG3 GLU 38 2HG GLU 38 6.901 15.789 -3.084 269 H LYS 39 H LYS 39 11.021 16.957 -4.192 270 HA LYS 39 HA LYS 39 11.024 17.324 -1.385 271 HB2 LYS 39 1HB LYS 39 12.080 18.937 -3.693 272 HB3 LYS 39 2HB LYS 39 12.186 19.536 -2.043 273 HG2 LYS 39 1HG LYS 39 13.231 16.826 -2.763 274 HG3 LYS 39 2HG LYS 39 14.194 18.280 -3.036 275 HD2 LYS 39 1HD LYS 39 12.939 17.847 -0.364 276 HD3 LYS 39 2HD LYS 39 14.393 16.939 -0.787 277 HE2 LYS 39 1HE LYS 39 15.438 19.160 -1.400 278 HE3 LYS 39 2HE LYS 39 14.045 19.926 -0.638 279 HZ1 LYS 39 3HZ LYS 39 16.225 19.438 0.702 280 HZ2 LYS 39 1HZ LYS 39 15.522 17.911 0.889 281 HZ3 LYS 39 2HZ LYS 39 14.706 19.289 1.431 282 HA PRO 40 HA PRO 40 7.466 19.850 -0.793 283 HB2 PRO 40 1HB PRO 40 8.191 21.074 1.519 284 HB3 PRO 40 2HB PRO 40 7.691 19.380 1.444 285 HG2 PRO 40 1HG PRO 40 10.450 20.537 1.544 286 HG3 PRO 40 2HG PRO 40 9.790 19.140 2.415 287 HD2 PRO 40 1HD PRO 40 11.324 18.884 0.198 288 HD3 PRO 40 2HD PRO 40 10.029 17.738 0.601 289 H SER 41 H SER 41 6.788 22.082 -0.658 290 HA SER 41 HA SER 41 7.879 23.803 -2.437 291 HB2 SER 41 1HB SER 41 5.739 24.330 -1.549 292 HB3 SER 41 2HB SER 41 6.360 24.411 0.100 293 HG SER 41 HG SER 41 6.541 26.276 -1.972 294 H GLY 42 H GLY 42 8.683 23.631 1.015 295 HA2 GLY 42 1HA GLY 42 11.337 24.609 0.506 296 HA3 GLY 42 2HA GLY 42 10.328 25.788 1.330 297 HA PRO 43 HA PRO 43 11.111 21.917 4.193 298 HB2 PRO 43 1HB PRO 43 13.526 20.758 3.750 299 HB3 PRO 43 2HB PRO 43 12.038 20.207 2.969 300 HG2 PRO 43 1HG PRO 43 14.200 21.976 1.892 301 HG3 PRO 43 2HG PRO 43 13.342 20.645 1.094 302 HD2 PRO 43 1HD PRO 43 12.719 23.245 0.665 303 HD3 PRO 43 2HD PRO 43 11.505 21.951 0.613 304 H SER 44 H SER 44 11.326 23.587 5.692 305 HA SER 44 HA SER 44 13.579 25.234 5.989 306 HB2 SER 44 1HB SER 44 11.289 24.466 7.757 307 HB3 SER 44 2HB SER 44 12.649 25.345 8.455 308 HG SER 44 HG SER 44 10.803 26.591 7.517 309 H SER 45 H SER 45 14.995 25.244 7.969 310 HA SER 45 HA SER 45 16.506 22.850 8.047 311 HB2 SER 45 1HB SER 45 16.639 25.503 9.399 312 HB3 SER 45 2HB SER 45 17.542 24.171 10.120 313 HG SER 45 HG SER 45 18.857 25.203 8.636 314 H GLY 46 H GLY 46 16.251 21.092 9.255 315 HA2 GLY 46 1HA GLY 46 15.792 20.843 11.913 316 HA3 GLY 46 2HA GLY 46 14.171 21.005 11.255 Start of MODEL 12 1 H1 GLY 1 H GLY 1 6.021 -25.677 4.753 2 HA2 GLY 1 1HA GLY 1 6.622 -23.305 4.962 3 HA3 GLY 1 2HA GLY 1 5.988 -23.083 3.338 4 H SER 2 H SER 2 5.243 -21.688 5.775 5 HA SER 2 HA SER 2 2.635 -22.681 6.518 6 HB2 SER 2 1HB SER 2 4.250 -21.415 8.050 7 HB3 SER 2 2HB SER 2 3.757 -19.960 7.184 8 HG SER 2 HG SER 2 2.234 -21.644 8.847 9 H SER 3 H SER 3 2.715 -22.314 3.798 10 HA SER 3 HA SER 3 0.567 -20.427 3.436 11 HB2 SER 3 1HB SER 3 1.600 -19.014 1.819 12 HB3 SER 3 2HB SER 3 2.711 -19.079 3.187 13 HG SER 3 HG SER 3 4.110 -20.193 2.023 14 H GLY 4 H GLY 4 -0.587 -20.743 1.492 15 HA2 GLY 4 1HA GLY 4 0.308 -22.646 -0.468 16 HA3 GLY 4 2HA GLY 4 -0.922 -23.303 0.602 17 H SER 5 H SER 5 -3.029 -22.746 0.317 18 HA SER 5 HA SER 5 -3.742 -21.583 -2.193 19 HB2 SER 5 1HB SER 5 -6.099 -21.884 -1.322 20 HB3 SER 5 2HB SER 5 -5.126 -23.354 -1.371 21 HG SER 5 HG SER 5 -6.401 -22.747 0.641 22 H SER 6 H SER 6 -4.487 -19.586 -2.661 23 HA SER 6 HA SER 6 -5.570 -17.768 -0.800 24 HB2 SER 6 1HB SER 6 -2.623 -17.634 -1.270 25 HB3 SER 6 2HB SER 6 -3.516 -16.121 -1.121 26 HG SER 6 HG SER 6 -3.028 -16.585 0.929 27 H GLY 7 H GLY 7 -6.510 -16.046 -1.818 28 HA2 GLY 7 1HA GLY 7 -6.694 -16.169 -4.671 29 HA3 GLY 7 2HA GLY 7 -7.473 -14.989 -3.627 30 H THR 8 H THR 8 -6.409 -14.285 -6.086 31 HA THR 8 HA THR 8 -3.859 -13.430 -6.354 32 HB THR 8 HB THR 8 -4.725 -11.444 -7.603 33 HG1 THR 8 HG1 THR 8 -7.344 -12.298 -7.392 34 HG21 THR 8 3HG2 THR 8 -4.666 -13.949 -8.409 35 HG22 THR 8 1HG2 THR 8 -5.419 -12.702 -9.401 36 HG23 THR 8 2HG2 THR 8 -6.420 -13.763 -8.410 37 H ALA 9 H ALA 9 -6.389 -11.376 -4.893 38 HA ALA 9 HA ALA 9 -4.630 -10.501 -2.805 39 HB1 ALA 9 3HB ALA 9 -3.669 -8.831 -3.932 40 HB2 ALA 9 1HB ALA 9 -4.827 -8.943 -5.258 41 HB3 ALA 9 2HB ALA 9 -5.228 -8.015 -3.812 42 H GLU 10 H GLU 10 -5.899 -10.295 -1.090 43 HA GLU 10 HA GLU 10 -8.577 -10.523 -0.919 44 HB2 GLU 10 1HB GLU 10 -6.717 -10.141 0.921 45 HB3 GLU 10 2HB GLU 10 -7.327 -8.493 0.878 46 HG2 GLU 10 1HG GLU 10 -9.650 -9.710 1.119 47 HG3 GLU 10 2HG GLU 10 -8.646 -10.982 1.811 48 H LYS 11 H LYS 11 -6.820 -7.600 -1.733 49 HA LYS 11 HA LYS 11 -9.393 -6.290 -2.319 50 HB2 LYS 11 1HB LYS 11 -6.866 -4.928 -1.370 51 HB3 LYS 11 2HB LYS 11 -8.399 -4.143 -1.728 52 HG2 LYS 11 1HG LYS 11 -7.849 -6.094 0.498 53 HG3 LYS 11 2HG LYS 11 -8.143 -4.360 0.650 54 HD2 LYS 11 1HD LYS 11 -10.068 -6.536 -0.104 55 HD3 LYS 11 2HD LYS 11 -10.193 -5.352 1.199 56 HE2 LYS 11 1HE LYS 11 -10.110 -3.671 -0.862 57 HE3 LYS 11 2HE LYS 11 -10.778 -5.072 -1.697 58 HZ1 LYS 11 3HZ LYS 11 -12.014 -3.319 0.220 59 HZ2 LYS 11 1HZ LYS 11 -12.255 -4.959 0.560 60 HZ3 LYS 11 2HZ LYS 11 -12.724 -4.328 -0.938 61 HA PRO 12 HA PRO 12 -7.967 -5.747 -6.438 62 HB2 PRO 12 1HB PRO 12 -9.247 -3.451 -7.114 63 HB3 PRO 12 2HB PRO 12 -10.082 -4.999 -6.935 64 HG2 PRO 12 1HG PRO 12 -9.873 -2.724 -5.000 65 HG3 PRO 12 2HG PRO 12 -11.286 -3.711 -5.419 66 HD2 PRO 12 1HD PRO 12 -9.834 -4.123 -3.170 67 HD3 PRO 12 2HD PRO 12 -10.640 -5.443 -4.043 68 H PHE 13 H PHE 13 -7.657 -3.036 -4.209 69 HA PHE 13 HA PHE 13 -5.639 -1.771 -5.884 70 HB2 PHE 13 1HB PHE 13 -6.540 -0.878 -3.146 71 HB3 PHE 13 2HB PHE 13 -5.758 0.086 -4.395 72 HD1 PHE 13 HD2 PHE 13 -8.895 -1.431 -3.285 73 HD2 PHE 13 HD1 PHE 13 -7.009 0.957 -6.261 74 HE1 PHE 13 HE2 PHE 13 -11.102 -0.727 -4.114 75 HE2 PHE 13 HE1 PHE 13 -9.212 1.667 -7.093 76 HZ PHE 13 HZ PHE 13 -11.263 0.824 -6.020 77 H ARG 14 H ARG 14 -3.488 -1.716 -5.457 78 HA ARG 14 HA ARG 14 -2.458 -2.691 -2.927 79 HB2 ARG 14 1HB ARG 14 -2.841 -4.690 -4.482 80 HB3 ARG 14 2HB ARG 14 -1.534 -4.036 -5.459 81 HG2 ARG 14 1HG ARG 14 0.015 -4.264 -3.634 82 HG3 ARG 14 2HG ARG 14 -1.283 -4.769 -2.551 83 HD2 ARG 14 1HD ARG 14 -0.856 -6.308 -5.060 84 HD3 ARG 14 2HD ARG 14 0.296 -6.523 -3.743 85 HE ARG 14 HE ARG 14 -2.470 -7.373 -3.802 86 HH11 ARG 14 1HH1 ARG 14 0.353 -6.750 -1.862 87 HH12 ARG 14 2HH1 ARG 14 -0.164 -7.760 -0.552 88 HH21 ARG 14 1HH2 ARG 14 -3.161 -8.706 -2.085 89 HH22 ARG 14 2HH2 ARG 14 -2.163 -8.872 -0.680 90 H CYS 15 H CYS 15 -0.541 -1.780 -2.408 91 HA CYS 15 HA CYS 15 0.506 0.230 -4.218 92 HB2 CYS 15 1HB CYS 15 0.189 0.806 -1.863 93 HB3 CYS 15 2HB CYS 15 1.282 -0.488 -1.383 94 H ASP 16 H ASP 16 2.075 -0.186 -5.610 95 HA ASP 16 HA ASP 16 3.672 -2.586 -5.363 96 HB2 ASP 16 1HB ASP 16 2.693 -1.668 -7.541 97 HB3 ASP 16 2HB ASP 16 3.967 -0.453 -7.474 98 H THR 17 H THR 17 4.147 -0.778 -3.282 99 HA THR 17 HA THR 17 6.952 -0.075 -3.822 100 HB THR 17 HB THR 17 5.117 1.610 -2.112 101 HG1 THR 17 HG1 THR 17 4.780 1.576 -4.532 102 HG21 THR 17 3HG2 THR 17 7.491 1.709 -1.511 103 HG22 THR 17 1HG2 THR 17 6.946 3.233 -2.209 104 HG23 THR 17 2HG2 THR 17 7.899 2.109 -3.179 105 H CYS 18 H CYS 18 4.574 -0.348 -1.173 106 HA CYS 18 HA CYS 18 6.669 -1.633 0.450 107 HB2 CYS 18 1HB CYS 18 5.303 -0.943 2.416 108 HB3 CYS 18 2HB CYS 18 5.897 0.418 1.469 109 H ASP 19 H ASP 19 4.384 -2.572 -1.516 110 HA ASP 19 HA ASP 19 3.132 -4.455 -1.766 111 HB2 ASP 19 1HB ASP 19 4.941 -5.191 0.496 112 HB3 ASP 19 2HB ASP 19 3.590 -6.257 0.116 113 H LYS 20 H LYS 20 1.927 -2.280 -0.514 114 HA LYS 20 HA LYS 20 0.318 -3.441 1.644 115 HB2 LYS 20 1HB LYS 20 1.023 -0.681 0.810 116 HB3 LYS 20 2HB LYS 20 -0.576 -0.911 1.505 117 HG2 LYS 20 1HG LYS 20 0.612 -2.087 3.429 118 HG3 LYS 20 2HG LYS 20 2.099 -1.400 2.771 119 HD2 LYS 20 1HD LYS 20 1.428 0.785 3.208 120 HD3 LYS 20 2HD LYS 20 -0.278 0.344 3.308 121 HE2 LYS 20 1HE LYS 20 -0.074 -0.479 5.454 122 HE3 LYS 20 2HE LYS 20 1.651 -0.795 5.281 123 HZ1 LYS 20 3HZ LYS 20 2.188 1.360 5.741 124 HZ2 LYS 20 1HZ LYS 20 0.789 1.216 6.682 125 HZ3 LYS 20 2HZ LYS 20 0.720 1.983 5.176 126 H SER 21 H SER 21 -2.055 -2.495 1.563 127 HA SER 21 HA SER 21 -3.172 -2.406 -1.105 128 HB2 SER 21 1HB SER 21 -4.777 -4.314 -0.523 129 HB3 SER 21 2HB SER 21 -3.125 -4.769 -0.937 130 HG SER 21 HG SER 21 -2.691 -4.924 1.303 131 H PHE 22 H PHE 22 -5.270 -1.587 -1.169 132 HA PHE 22 HA PHE 22 -6.448 -0.802 1.406 133 HB2 PHE 22 1HB PHE 22 -6.153 1.003 -1.005 134 HB3 PHE 22 2HB PHE 22 -6.979 1.418 0.494 135 HD1 PHE 22 HD2 PHE 22 -3.655 0.165 -0.650 136 HD2 PHE 22 HD1 PHE 22 -5.822 2.655 2.037 137 HE1 PHE 22 HE2 PHE 22 -1.536 1.001 0.279 138 HE2 PHE 22 HE1 PHE 22 -3.706 3.496 2.970 139 HZ PHE 22 HZ PHE 22 -1.559 2.668 2.092 140 H ARG 23 H ARG 23 -8.729 0.207 0.929 141 HA ARG 23 HA ARG 23 -10.102 -1.684 -0.857 142 HB2 ARG 23 1HB ARG 23 -11.308 -0.108 1.420 143 HB3 ARG 23 2HB ARG 23 -12.046 -1.437 0.535 144 HG2 ARG 23 1HG ARG 23 -10.124 -2.864 1.414 145 HG3 ARG 23 2HG ARG 23 -9.812 -1.532 2.530 146 HD2 ARG 23 1HD ARG 23 -12.532 -2.774 2.264 147 HD3 ARG 23 2HD ARG 23 -11.308 -3.446 3.340 148 HE ARG 23 HE ARG 23 -11.714 -0.647 3.756 149 HH11 ARG 23 1HH1 ARG 23 -12.955 -3.817 4.485 150 HH12 ARG 23 2HH1 ARG 23 -13.713 -3.324 5.962 151 HH21 ARG 23 1HH2 ARG 23 -12.708 0.015 5.700 152 HH22 ARG 23 2HH2 ARG 23 -13.573 -1.144 6.652 153 H GLN 24 H GLN 24 -9.812 1.705 0.020 154 HA GLN 24 HA GLN 24 -11.680 2.437 -2.119 155 HB2 GLN 24 1HB GLN 24 -10.423 4.340 -0.157 156 HB3 GLN 24 2HB GLN 24 -11.892 4.556 -1.099 157 HG2 GLN 24 1HG GLN 24 -12.997 2.829 0.229 158 HG3 GLN 24 2HG GLN 24 -11.525 2.620 1.177 159 HE21 GLN 24 1HE2 GLN 24 -11.068 4.024 2.791 160 HE22 GLN 24 2HE2 GLN 24 -12.104 5.321 3.268 161 H ARG 25 H ARG 25 -10.985 3.242 -3.992 162 HA ARG 25 HA ARG 25 -8.336 3.207 -4.790 163 HB2 ARG 25 1HB ARG 25 -10.435 3.322 -6.236 164 HB3 ARG 25 2HB ARG 25 -10.393 5.061 -5.978 165 HG2 ARG 25 1HG ARG 25 -8.159 5.145 -6.986 166 HG3 ARG 25 2HG ARG 25 -8.238 3.406 -7.274 167 HD2 ARG 25 1HD ARG 25 -10.222 3.747 -8.683 168 HD3 ARG 25 2HD ARG 25 -10.103 5.485 -8.413 169 HE ARG 25 HE ARG 25 -7.680 4.872 -9.422 170 HH11 ARG 25 1HH1 ARG 25 -10.926 4.175 -10.468 171 HH12 ARG 25 2HH1 ARG 25 -10.517 4.150 -12.152 172 HH21 ARG 25 1HH2 ARG 25 -7.129 4.842 -11.635 173 HH22 ARG 25 2HH2 ARG 25 -8.357 4.529 -12.814 174 H SER 26 H SER 26 -10.152 5.741 -3.220 175 HA SER 26 HA SER 26 -8.256 7.821 -3.726 176 HB2 SER 26 1HB SER 26 -10.736 8.098 -3.144 177 HB3 SER 26 2HB SER 26 -10.264 7.791 -1.473 178 HG SER 26 HG SER 26 -10.257 10.009 -1.875 179 H ALA 27 H ALA 27 -8.442 5.227 -1.508 180 HA ALA 27 HA ALA 27 -6.759 6.446 0.503 181 HB1 ALA 27 3HB ALA 27 -7.077 3.530 0.556 182 HB2 ALA 27 1HB ALA 27 -7.347 4.728 1.822 183 HB3 ALA 27 2HB ALA 27 -8.586 4.442 0.600 184 H LEU 28 H LEU 28 -6.411 4.245 -2.208 185 HA LEU 28 HA LEU 28 -3.638 3.677 -1.570 186 HB2 LEU 28 1HB LEU 28 -4.641 1.817 -2.488 187 HB3 LEU 28 2HB LEU 28 -5.582 2.765 -3.639 188 HG LEU 28 HG LEU 28 -3.144 3.228 -4.624 189 HD11 LEU 28 1HD1 LEU 28 -1.806 2.001 -3.160 190 HD12 LEU 28 2HD1 LEU 28 -1.987 0.942 -4.558 191 HD13 LEU 28 3HD1 LEU 28 -2.941 0.652 -3.103 192 HD21 LEU 28 3HD2 LEU 28 -5.367 1.822 -5.384 193 HD22 LEU 28 1HD2 LEU 28 -4.102 0.595 -5.447 194 HD23 LEU 28 2HD2 LEU 28 -3.932 2.084 -6.377 195 H ASN 29 H ASN 29 -5.469 5.386 -4.084 196 HA ASN 29 HA ASN 29 -3.341 6.191 -5.683 197 HB2 ASN 29 1HB ASN 29 -6.087 7.244 -5.168 198 HB3 ASN 29 2HB ASN 29 -4.961 8.260 -6.064 199 HD21 ASN 29 1HD2 ASN 29 -7.263 7.366 -7.224 200 HD22 ASN 29 2HD2 ASN 29 -6.889 6.210 -8.452 201 H SER 30 H SER 30 -4.354 7.327 -2.576 202 HA SER 30 HA SER 30 -2.680 9.714 -2.759 203 HB2 SER 30 1HB SER 30 -4.941 9.866 -1.724 204 HB3 SER 30 2HB SER 30 -4.402 8.765 -0.457 205 HG SER 30 HG SER 30 -3.908 11.439 -0.784 206 H HIS 31 H HIS 31 -2.803 6.581 -1.207 207 HA HIS 31 HA HIS 31 -0.746 6.999 0.682 208 HB2 HIS 31 1HB HIS 31 -2.084 5.121 1.091 209 HB3 HIS 31 2HB HIS 31 -1.962 4.554 -0.572 210 HD1 HIS 31 HD1 HIS 31 -0.040 4.647 2.656 211 HD2 HIS 31 HD2 HIS 31 0.206 2.913 -1.112 212 HE1 HIS 31 HE1 HIS 31 1.802 2.943 2.819 213 H ARG 32 H ARG 32 -0.735 5.917 -2.672 214 HA ARG 32 HA ARG 32 1.943 5.092 -2.817 215 HB2 ARG 32 1HB ARG 32 0.149 6.238 -4.962 216 HB3 ARG 32 2HB ARG 32 1.699 5.467 -5.267 217 HG2 ARG 32 1HG ARG 32 0.655 3.460 -3.991 218 HG3 ARG 32 2HG ARG 32 -0.874 4.252 -4.374 219 HD2 ARG 32 1HD ARG 32 -0.529 2.762 -6.145 220 HD3 ARG 32 2HD ARG 32 -0.027 4.328 -6.782 221 HE ARG 32 HE ARG 32 2.140 2.842 -5.644 222 HH11 ARG 32 1HH1 ARG 32 0.189 3.277 -8.495 223 HH12 ARG 32 2HH1 ARG 32 1.403 2.677 -9.576 224 HH21 ARG 32 1HH2 ARG 32 3.746 2.050 -7.057 225 HH22 ARG 32 2HH2 ARG 32 3.425 1.979 -8.757 226 H MET 33 H MET 33 0.497 8.243 -2.803 227 HA MET 33 HA MET 33 2.559 9.719 -4.010 228 HB2 MET 33 1HB MET 33 0.627 10.575 -1.847 229 HB3 MET 33 2HB MET 33 1.596 11.660 -2.836 230 HG2 MET 33 1HG MET 33 0.423 10.571 -4.835 231 HG3 MET 33 2HG MET 33 -0.720 9.948 -3.648 232 HE1 MET 33 3HE MET 33 -3.027 12.689 -4.898 233 HE2 MET 33 1HE MET 33 -1.973 11.735 -5.941 234 HE3 MET 33 2HE MET 33 -2.761 10.979 -4.557 235 H ILE 34 H ILE 34 1.988 8.843 -0.621 236 HA ILE 34 HA ILE 34 4.001 10.255 0.614 237 HB ILE 34 HB ILE 34 3.787 8.853 2.435 238 HG12 ILE 34 1HG1 ILE 34 3.483 6.663 0.404 239 HG13 ILE 34 2HG1 ILE 34 4.644 6.800 1.720 240 HG21 ILE 34 1HG2 ILE 34 1.564 9.704 1.443 241 HG22 ILE 34 2HG2 ILE 34 1.276 8.013 1.037 242 HG23 ILE 34 3HG2 ILE 34 1.509 8.488 2.719 243 HD11 ILE 34 3HD1 ILE 34 1.700 6.315 2.094 244 HD12 ILE 34 1HD1 ILE 34 2.932 5.055 2.070 245 HD13 ILE 34 2HD1 ILE 34 2.951 6.284 3.335 246 H HIS 35 H HIS 35 4.259 7.486 -1.463 247 HA HIS 35 HA HIS 35 7.008 6.938 -0.731 248 HB2 HIS 35 1HB HIS 35 5.290 5.798 -2.945 249 HB3 HIS 35 2HB HIS 35 6.893 5.219 -2.503 250 HD1 HIS 35 HD1 HIS 35 6.726 4.953 0.477 251 HD2 HIS 35 HD2 HIS 35 3.589 3.906 -2.038 252 HE1 HIS 35 HE1 HIS 35 5.333 3.318 1.785 253 H THR 36 H THR 36 6.859 9.534 -1.476 254 HA THR 36 HA THR 36 8.428 9.537 -3.945 255 HB THR 36 HB THR 36 7.280 11.477 -4.849 256 HG1 THR 36 HG1 THR 36 6.298 12.627 -3.348 257 HG21 THR 36 3HG2 THR 36 5.187 9.426 -4.143 258 HG22 THR 36 1HG2 THR 36 6.451 9.143 -5.339 259 HG23 THR 36 2HG2 THR 36 5.273 10.432 -5.589 260 H GLY 37 H GLY 37 9.345 11.865 -4.285 261 HA2 GLY 37 1HA GLY 37 9.765 13.902 -2.741 262 HA3 GLY 37 2HA GLY 37 10.457 12.678 -1.687 263 H GLU 38 H GLU 38 12.586 13.038 -1.704 264 HA GLU 38 HA GLU 38 13.942 13.839 -4.134 265 HB2 GLU 38 1HB GLU 38 14.722 13.538 -1.263 266 HB3 GLU 38 2HB GLU 38 15.981 13.569 -2.490 267 HG2 GLU 38 1HG GLU 38 15.018 15.733 -3.296 268 HG3 GLU 38 2HG GLU 38 13.964 15.712 -1.884 269 H LYS 39 H LYS 39 13.240 11.751 -5.168 270 HA LYS 39 HA LYS 39 15.410 9.812 -4.894 271 HB2 LYS 39 1HB LYS 39 12.471 9.177 -4.709 272 HB3 LYS 39 2HB LYS 39 13.652 7.968 -5.193 273 HG2 LYS 39 1HG LYS 39 14.736 8.049 -3.094 274 HG3 LYS 39 2HG LYS 39 13.857 9.504 -2.619 275 HD2 LYS 39 1HD LYS 39 11.749 8.182 -2.710 276 HD3 LYS 39 2HD LYS 39 12.717 6.739 -3.017 277 HE2 LYS 39 1HE LYS 39 12.261 6.757 -0.695 278 HE3 LYS 39 2HE LYS 39 13.943 7.252 -0.874 279 HZ1 LYS 39 3HZ LYS 39 13.510 9.306 -0.109 280 HZ2 LYS 39 1HZ LYS 39 12.168 8.567 0.607 281 HZ3 LYS 39 2HZ LYS 39 11.994 9.401 -0.853 282 HA PRO 40 HA PRO 40 15.330 10.225 -9.294 283 HB2 PRO 40 1HB PRO 40 16.991 8.158 -9.877 284 HB3 PRO 40 2HB PRO 40 17.565 9.696 -9.221 285 HG2 PRO 40 1HG PRO 40 17.041 7.111 -7.805 286 HG3 PRO 40 2HG PRO 40 18.400 8.235 -7.617 287 HD2 PRO 40 1HD PRO 40 16.316 8.167 -5.889 288 HD3 PRO 40 2HD PRO 40 17.196 9.662 -6.265 289 H SER 41 H SER 41 13.024 9.552 -9.275 290 HA SER 41 HA SER 41 12.702 7.126 -10.811 291 HB2 SER 41 1HB SER 41 11.513 7.433 -8.058 292 HB3 SER 41 2HB SER 41 10.790 6.374 -9.268 293 HG SER 41 HG SER 41 13.525 6.115 -8.840 294 H GLY 42 H GLY 42 10.222 6.840 -11.283 295 HA2 GLY 42 1HA GLY 42 8.311 8.755 -11.136 296 HA3 GLY 42 2HA GLY 42 9.364 9.358 -12.408 297 HA PRO 43 HA PRO 43 7.644 5.170 -14.084 298 HB2 PRO 43 1HB PRO 43 5.800 3.888 -12.559 299 HB3 PRO 43 2HB PRO 43 7.538 3.598 -12.412 300 HG2 PRO 43 1HG PRO 43 5.756 5.318 -10.730 301 HG3 PRO 43 2HG PRO 43 7.042 4.207 -10.223 302 HD2 PRO 43 1HD PRO 43 7.405 6.887 -10.371 303 HD3 PRO 43 2HD PRO 43 8.711 5.728 -10.690 304 H SER 44 H SER 44 5.489 7.194 -12.170 305 HA SER 44 HA SER 44 3.352 7.946 -12.551 306 HB2 SER 44 1HB SER 44 4.678 8.359 -15.239 307 HB3 SER 44 2HB SER 44 3.142 9.090 -14.773 308 HG SER 44 HG SER 44 4.219 10.546 -13.726 309 H SER 45 H SER 45 3.415 5.173 -12.705 310 HA SER 45 HA SER 45 2.146 4.245 -15.099 311 HB2 SER 45 1HB SER 45 3.565 2.855 -13.493 312 HB3 SER 45 2HB SER 45 2.155 2.825 -12.435 313 HG SER 45 HG SER 45 1.767 2.131 -15.104 314 H GLY 46 H GLY 46 0.006 3.800 -15.476 315 HA2 GLY 46 1HA GLY 46 -2.007 3.907 -13.466 316 HA3 GLY 46 2HA GLY 46 -1.946 5.416 -14.366 Start of MODEL 13 1 H1 GLY 1 H GLY 1 5.916 -30.844 -11.401 2 HA2 GLY 1 1HA GLY 1 2.968 -30.847 -11.604 3 HA3 GLY 1 2HA GLY 1 3.845 -30.780 -10.082 4 H SER 2 H SER 2 2.478 -28.890 -9.691 5 HA SER 2 HA SER 2 3.889 -26.477 -10.315 6 HB2 SER 2 1HB SER 2 2.169 -25.316 -11.518 7 HB3 SER 2 2HB SER 2 2.450 -26.841 -12.358 8 HG SER 2 HG SER 2 0.169 -26.072 -11.765 9 H SER 3 H SER 3 3.353 -24.779 -8.946 10 HA SER 3 HA SER 3 1.060 -24.911 -7.217 11 HB2 SER 3 1HB SER 3 3.798 -25.209 -5.961 12 HB3 SER 3 2HB SER 3 2.253 -25.126 -5.114 13 HG SER 3 HG SER 3 2.010 -27.177 -5.453 14 H GLY 4 H GLY 4 1.252 -23.117 -5.479 15 HA2 GLY 4 1HA GLY 4 2.201 -20.987 -4.883 16 HA3 GLY 4 2HA GLY 4 2.821 -20.853 -6.522 17 H SER 5 H SER 5 -0.209 -20.979 -4.676 18 HA SER 5 HA SER 5 -1.419 -19.245 -6.729 19 HB2 SER 5 1HB SER 5 -3.587 -20.174 -6.126 20 HB3 SER 5 2HB SER 5 -2.479 -21.484 -6.537 21 HG SER 5 HG SER 5 -2.602 -20.711 -3.865 22 H SER 6 H SER 6 0.155 -18.151 -4.708 23 HA SER 6 HA SER 6 -1.878 -16.669 -3.191 24 HB2 SER 6 1HB SER 6 0.726 -17.750 -2.092 25 HB3 SER 6 2HB SER 6 -0.308 -16.599 -1.247 26 HG SER 6 HG SER 6 -1.893 -18.136 -1.103 27 H GLY 7 H GLY 7 -1.788 -14.795 -4.320 28 HA2 GLY 7 1HA GLY 7 0.599 -13.185 -4.014 29 HA3 GLY 7 2HA GLY 7 0.204 -13.588 -5.678 30 H THR 8 H THR 8 -2.517 -13.416 -5.715 31 HA THR 8 HA THR 8 -2.945 -10.646 -5.947 32 HB THR 8 HB THR 8 -4.221 -12.248 -7.276 33 HG1 THR 8 HG1 THR 8 -6.137 -10.986 -5.629 34 HG21 THR 8 3HG2 THR 8 -4.606 -13.547 -4.818 35 HG22 THR 8 1HG2 THR 8 -5.237 -14.025 -6.393 36 HG23 THR 8 2HG2 THR 8 -6.202 -12.999 -5.331 37 H ALA 9 H ALA 9 -3.764 -9.146 -4.601 38 HA ALA 9 HA ALA 9 -4.063 -9.835 -1.813 39 HB1 ALA 9 3HB ALA 9 -4.791 -7.135 -2.269 40 HB2 ALA 9 1HB ALA 9 -3.310 -7.767 -1.549 41 HB3 ALA 9 2HB ALA 9 -3.401 -7.499 -3.291 42 H GLU 10 H GLU 10 -5.911 -9.755 -0.593 43 HA GLU 10 HA GLU 10 -8.330 -10.471 -1.697 44 HB2 GLU 10 1HB GLU 10 -7.859 -10.783 0.660 45 HB3 GLU 10 2HB GLU 10 -7.802 -9.044 0.913 46 HG2 GLU 10 1HG GLU 10 -10.101 -8.808 0.693 47 HG3 GLU 10 2HG GLU 10 -10.277 -10.356 -0.131 48 H LYS 11 H LYS 11 -6.882 -7.390 -1.643 49 HA LYS 11 HA LYS 11 -9.442 -6.088 -2.291 50 HB2 LYS 11 1HB LYS 11 -6.828 -4.837 -1.425 51 HB3 LYS 11 2HB LYS 11 -8.317 -3.965 -1.765 52 HG2 LYS 11 1HG LYS 11 -7.641 -5.723 0.548 53 HG3 LYS 11 2HG LYS 11 -8.329 -4.098 0.534 54 HD2 LYS 11 1HD LYS 11 -9.756 -6.592 -0.387 55 HD3 LYS 11 2HD LYS 11 -9.965 -5.831 1.191 56 HE2 LYS 11 1HE LYS 11 -10.553 -3.712 -0.135 57 HE3 LYS 11 2HE LYS 11 -10.734 -4.791 -1.518 58 HZ1 LYS 11 3HZ LYS 11 -12.559 -5.801 -0.609 59 HZ2 LYS 11 1HZ LYS 11 -12.762 -4.229 -0.015 60 HZ3 LYS 11 2HZ LYS 11 -12.126 -5.436 0.986 61 HA PRO 12 HA PRO 12 -8.227 -5.538 -6.476 62 HB2 PRO 12 1HB PRO 12 -9.489 -3.207 -7.062 63 HB3 PRO 12 2HB PRO 12 -10.348 -4.738 -6.852 64 HG2 PRO 12 1HG PRO 12 -9.984 -2.488 -4.911 65 HG3 PRO 12 2HG PRO 12 -11.439 -3.439 -5.261 66 HD2 PRO 12 1HD PRO 12 -9.878 -3.907 -3.098 67 HD3 PRO 12 2HD PRO 12 -10.759 -5.200 -3.937 68 H PHE 13 H PHE 13 -7.527 -3.092 -4.109 69 HA PHE 13 HA PHE 13 -5.595 -1.821 -5.920 70 HB2 PHE 13 1HB PHE 13 -6.491 -0.829 -3.210 71 HB3 PHE 13 2HB PHE 13 -5.603 0.068 -4.438 72 HD1 PHE 13 HD1 PHE 13 -6.733 0.863 -6.455 73 HD2 PHE 13 HD2 PHE 13 -8.860 -1.109 -3.341 74 HE1 PHE 13 HE1 PHE 13 -8.855 1.696 -7.381 75 HE2 PHE 13 HE2 PHE 13 -10.985 -0.280 -4.262 76 HZ PHE 13 HZ PHE 13 -10.984 1.124 -6.285 77 H ARG 14 H ARG 14 -3.433 -1.691 -5.420 78 HA ARG 14 HA ARG 14 -2.439 -2.720 -2.905 79 HB2 ARG 14 1HB ARG 14 -2.799 -4.745 -4.330 80 HB3 ARG 14 2HB ARG 14 -1.650 -4.081 -5.484 81 HG2 ARG 14 1HG ARG 14 0.068 -4.091 -3.688 82 HG3 ARG 14 2HG ARG 14 -1.095 -4.914 -2.647 83 HD2 ARG 14 1HD ARG 14 -0.979 -6.870 -3.833 84 HD3 ARG 14 2HD ARG 14 -0.554 -6.056 -5.338 85 HE ARG 14 HE ARG 14 1.254 -6.953 -3.267 86 HH11 ARG 14 1HH1 ARG 14 0.804 -4.944 -6.074 87 HH12 ARG 14 2HH1 ARG 14 2.495 -4.851 -6.440 88 HH21 ARG 14 1HH2 ARG 14 3.483 -6.839 -3.738 89 HH22 ARG 14 2HH2 ARG 14 4.018 -5.930 -5.111 90 H CYS 15 H CYS 15 -0.515 -1.837 -2.364 91 HA CYS 15 HA CYS 15 0.573 0.168 -4.155 92 HB2 CYS 15 1HB CYS 15 0.247 0.758 -1.813 93 HB3 CYS 15 2HB CYS 15 1.289 -0.569 -1.309 94 H ASP 16 H ASP 16 2.072 -0.356 -5.590 95 HA ASP 16 HA ASP 16 3.684 -2.733 -5.275 96 HB2 ASP 16 1HB ASP 16 4.443 -2.321 -7.514 97 HB3 ASP 16 2HB ASP 16 2.711 -2.003 -7.473 98 H THR 17 H THR 17 4.208 -0.910 -3.249 99 HA THR 17 HA THR 17 6.998 -0.211 -3.853 100 HB THR 17 HB THR 17 5.206 1.535 -2.162 101 HG1 THR 17 HG1 THR 17 4.762 2.678 -3.919 102 HG21 THR 17 3HG2 THR 17 7.593 1.664 -1.638 103 HG22 THR 17 1HG2 THR 17 7.031 3.156 -2.391 104 HG23 THR 17 2HG2 THR 17 7.954 1.985 -3.333 105 H CYS 18 H CYS 18 4.641 -0.426 -1.182 106 HA CYS 18 HA CYS 18 6.748 -1.692 0.443 107 HB2 CYS 18 1HB CYS 18 5.515 -0.863 2.424 108 HB3 CYS 18 2HB CYS 18 6.071 0.444 1.383 109 H ASP 19 H ASP 19 4.541 -2.730 -1.449 110 HA ASP 19 HA ASP 19 3.151 -4.527 -1.581 111 HB2 ASP 19 1HB ASP 19 4.866 -5.276 0.778 112 HB3 ASP 19 2HB ASP 19 3.595 -6.343 0.189 113 H LYS 20 H LYS 20 1.774 -2.485 -0.706 114 HA LYS 20 HA LYS 20 0.278 -3.436 1.647 115 HB2 LYS 20 1HB LYS 20 1.030 -0.730 0.695 116 HB3 LYS 20 2HB LYS 20 -0.575 -0.896 1.395 117 HG2 LYS 20 1HG LYS 20 0.646 -2.060 3.348 118 HG3 LYS 20 2HG LYS 20 2.093 -1.301 2.680 119 HD2 LYS 20 1HD LYS 20 1.017 0.893 2.854 120 HD3 LYS 20 2HD LYS 20 -0.428 0.131 3.524 121 HE2 LYS 20 1HE LYS 20 0.623 0.777 5.452 122 HE3 LYS 20 2HE LYS 20 1.294 -0.842 5.259 123 HZ1 LYS 20 3HZ LYS 20 3.332 -0.033 4.906 124 HZ2 LYS 20 1HZ LYS 20 2.748 1.396 5.598 125 HZ3 LYS 20 2HZ LYS 20 2.788 1.227 3.916 126 H SER 21 H SER 21 -2.082 -2.490 1.554 127 HA SER 21 HA SER 21 -3.230 -2.457 -1.100 128 HB2 SER 21 1HB SER 21 -4.836 -4.354 -0.438 129 HB3 SER 21 2HB SER 21 -3.200 -4.809 -0.914 130 HG SER 21 HG SER 21 -4.398 -4.837 1.616 131 H PHE 22 H PHE 22 -5.280 -1.569 -1.161 132 HA PHE 22 HA PHE 22 -6.434 -0.750 1.418 133 HB2 PHE 22 1HB PHE 22 -6.179 0.980 -1.051 134 HB3 PHE 22 2HB PHE 22 -6.999 1.438 0.438 135 HD1 PHE 22 HD2 PHE 22 -3.674 0.173 -0.690 136 HD2 PHE 22 HD1 PHE 22 -5.841 2.725 1.940 137 HE1 PHE 22 HE2 PHE 22 -1.555 1.050 0.200 138 HE2 PHE 22 HE1 PHE 22 -3.724 3.606 2.834 139 HZ PHE 22 HZ PHE 22 -1.578 2.768 1.965 140 H ARG 23 H ARG 23 -8.734 0.167 1.031 141 HA ARG 23 HA ARG 23 -10.149 -1.799 -0.617 142 HB2 ARG 23 1HB ARG 23 -11.185 0.011 1.574 143 HB3 ARG 23 2HB ARG 23 -12.124 -1.211 0.726 144 HG2 ARG 23 1HG ARG 23 -11.585 -2.384 2.591 145 HG3 ARG 23 2HG ARG 23 -10.186 -2.785 1.593 146 HD2 ARG 23 1HD ARG 23 -9.111 -2.155 3.501 147 HD3 ARG 23 2HD ARG 23 -9.220 -0.588 2.701 148 HE ARG 23 HE ARG 23 -11.433 -1.207 4.448 149 HH11 ARG 23 1HH1 ARG 23 -8.273 0.228 4.173 150 HH12 ARG 23 2HH1 ARG 23 -8.470 1.244 5.563 151 HH21 ARG 23 1HH2 ARG 23 -11.705 0.126 6.279 152 HH22 ARG 23 2HH2 ARG 23 -10.422 1.185 6.760 153 H GLN 24 H GLN 24 -9.947 1.677 -0.007 154 HA GLN 24 HA GLN 24 -11.657 2.162 -2.344 155 HB2 GLN 24 1HB GLN 24 -10.737 4.274 -0.414 156 HB3 GLN 24 2HB GLN 24 -12.138 4.294 -1.477 157 HG2 GLN 24 1HG GLN 24 -12.026 2.206 0.625 158 HG3 GLN 24 2HG GLN 24 -12.343 3.867 1.122 159 HE21 GLN 24 1HE2 GLN 24 -13.362 1.602 -1.416 160 HE22 GLN 24 2HE2 GLN 24 -15.043 1.986 -1.320 161 H ARG 25 H ARG 25 -10.882 3.080 -4.154 162 HA ARG 25 HA ARG 25 -8.182 3.089 -4.760 163 HB2 ARG 25 1HB ARG 25 -10.136 3.167 -6.371 164 HB3 ARG 25 2HB ARG 25 -10.213 4.897 -6.067 165 HG2 ARG 25 1HG ARG 25 -7.953 5.167 -6.922 166 HG3 ARG 25 2HG ARG 25 -7.838 3.427 -7.190 167 HD2 ARG 25 1HD ARG 25 -8.363 4.395 -9.286 168 HD3 ARG 25 2HD ARG 25 -9.845 3.644 -8.698 169 HE ARG 25 HE ARG 25 -9.342 6.474 -9.052 170 HH11 ARG 25 1HH1 ARG 25 -11.366 4.018 -7.641 171 HH12 ARG 25 2HH1 ARG 25 -12.736 5.064 -7.466 172 HH21 ARG 25 1HH2 ARG 25 -11.139 7.861 -8.826 173 HH22 ARG 25 2HH2 ARG 25 -12.606 7.249 -8.141 174 H SER 26 H SER 26 -10.181 5.648 -3.425 175 HA SER 26 HA SER 26 -8.308 7.750 -3.752 176 HB2 SER 26 1HB SER 26 -10.818 7.937 -3.260 177 HB3 SER 26 2HB SER 26 -10.394 7.631 -1.576 178 HG SER 26 HG SER 26 -9.635 9.805 -3.216 179 H ALA 27 H ALA 27 -8.507 5.124 -1.569 180 HA ALA 27 HA ALA 27 -6.941 6.363 0.520 181 HB1 ALA 27 3HB ALA 27 -7.179 3.432 0.496 182 HB2 ALA 27 1HB ALA 27 -7.497 4.590 1.788 183 HB3 ALA 27 2HB ALA 27 -8.705 4.315 0.533 184 H LEU 28 H LEU 28 -6.417 4.150 -2.165 185 HA LEU 28 HA LEU 28 -3.649 3.700 -1.438 186 HB2 LEU 28 1HB LEU 28 -4.525 1.808 -2.402 187 HB3 LEU 28 2HB LEU 28 -5.489 2.718 -3.564 188 HG LEU 28 HG LEU 28 -3.053 3.304 -4.494 189 HD11 LEU 28 1HD1 LEU 28 -2.750 0.820 -2.881 190 HD12 LEU 28 2HD1 LEU 28 -1.614 2.143 -3.142 191 HD13 LEU 28 3HD1 LEU 28 -1.893 0.955 -4.416 192 HD21 LEU 28 3HD2 LEU 28 -5.195 1.821 -5.320 193 HD22 LEU 28 1HD2 LEU 28 -3.887 0.639 -5.358 194 HD23 LEU 28 2HD2 LEU 28 -3.746 2.139 -6.275 195 H ASN 29 H ASN 29 -5.430 5.312 -4.057 196 HA ASN 29 HA ASN 29 -3.318 6.201 -5.589 197 HB2 ASN 29 1HB ASN 29 -6.080 7.187 -5.079 198 HB3 ASN 29 2HB ASN 29 -4.968 8.283 -5.893 199 HD21 ASN 29 1HD2 ASN 29 -7.180 7.454 -7.194 200 HD22 ASN 29 2HD2 ASN 29 -6.761 6.355 -8.458 201 H SER 30 H SER 30 -4.385 7.320 -2.482 202 HA SER 30 HA SER 30 -2.760 9.729 -2.611 203 HB2 SER 30 1HB SER 30 -4.985 9.749 -1.489 204 HB3 SER 30 2HB SER 30 -4.355 8.622 -0.287 205 HG SER 30 HG SER 30 -3.662 10.324 0.714 206 H HIS 31 H HIS 31 -2.773 6.585 -1.024 207 HA HIS 31 HA HIS 31 -0.628 7.015 0.736 208 HB2 HIS 31 1HB HIS 31 -1.916 5.097 1.157 209 HB3 HIS 31 2HB HIS 31 -1.811 4.549 -0.514 210 HD1 HIS 31 HD1 HIS 31 0.140 4.636 2.688 211 HD2 HIS 31 HD2 HIS 31 0.436 3.029 -1.131 212 HE1 HIS 31 HE1 HIS 31 2.050 3.004 2.792 213 H ARG 32 H ARG 32 -0.732 6.018 -2.639 214 HA ARG 32 HA ARG 32 1.946 5.240 -2.922 215 HB2 ARG 32 1HB ARG 32 0.089 6.465 -4.970 216 HB3 ARG 32 2HB ARG 32 1.606 5.654 -5.337 217 HG2 ARG 32 1HG ARG 32 0.546 3.648 -4.083 218 HG3 ARG 32 2HG ARG 32 -0.973 4.495 -4.380 219 HD2 ARG 32 1HD ARG 32 -0.632 2.946 -6.167 220 HD3 ARG 32 2HD ARG 32 -0.371 4.571 -6.799 221 HE ARG 32 HE ARG 32 2.035 3.267 -5.919 222 HH11 ARG 32 1HH1 ARG 32 -0.176 3.719 -8.569 223 HH12 ARG 32 2HH1 ARG 32 0.994 3.325 -9.784 224 HH21 ARG 32 1HH2 ARG 32 3.586 2.746 -7.509 225 HH22 ARG 32 2HH2 ARG 32 3.134 2.771 -9.179 226 H MET 33 H MET 33 0.461 8.372 -2.755 227 HA MET 33 HA MET 33 2.451 9.919 -3.985 228 HB2 MET 33 1HB MET 33 0.665 10.703 -1.676 229 HB3 MET 33 2HB MET 33 1.509 11.805 -2.755 230 HG2 MET 33 1HG MET 33 0.166 10.583 -4.614 231 HG3 MET 33 2HG MET 33 -0.878 10.099 -3.280 232 HE1 MET 33 3HE MET 33 -2.903 12.982 -5.017 233 HE2 MET 33 1HE MET 33 -1.858 11.810 -5.821 234 HE3 MET 33 2HE MET 33 -2.919 11.292 -4.510 235 H ILE 34 H ILE 34 2.068 8.866 -0.624 236 HA ILE 34 HA ILE 34 4.124 10.268 0.568 237 HB ILE 34 HB ILE 34 4.014 8.794 2.345 238 HG12 ILE 34 1HG1 ILE 34 3.587 6.686 0.251 239 HG13 ILE 34 2HG1 ILE 34 4.821 6.769 1.504 240 HG21 ILE 34 1HG2 ILE 34 1.745 8.379 2.727 241 HG22 ILE 34 2HG2 ILE 34 1.755 9.700 1.560 242 HG23 ILE 34 3HG2 ILE 34 1.426 8.052 1.023 243 HD11 ILE 34 3HD1 ILE 34 3.229 6.187 3.191 244 HD12 ILE 34 1HD1 ILE 34 1.901 6.285 2.034 245 HD13 ILE 34 2HD1 ILE 34 3.117 5.016 1.877 246 H HIS 35 H HIS 35 4.292 7.576 -1.616 247 HA HIS 35 HA HIS 35 7.081 7.030 -1.041 248 HB2 HIS 35 1HB HIS 35 5.253 5.928 -3.185 249 HB3 HIS 35 2HB HIS 35 6.884 5.355 -2.848 250 HD1 HIS 35 HD1 HIS 35 6.881 5.025 0.135 251 HD2 HIS 35 HD2 HIS 35 3.634 3.982 -2.239 252 HE1 HIS 35 HE1 HIS 35 5.583 3.338 1.475 253 H THR 36 H THR 36 6.815 9.654 -1.732 254 HA THR 36 HA THR 36 8.168 9.724 -4.340 255 HB THR 36 HB THR 36 7.036 11.754 -4.986 256 HG1 THR 36 HG1 THR 36 6.313 11.773 -2.351 257 HG21 THR 36 3HG2 THR 36 5.254 9.486 -4.148 258 HG22 THR 36 1HG2 THR 36 5.844 9.890 -5.760 259 HG23 THR 36 2HG2 THR 36 4.614 10.895 -4.993 260 H GLY 37 H GLY 37 10.181 10.376 -3.956 261 HA2 GLY 37 1HA GLY 37 11.617 12.269 -3.487 262 HA3 GLY 37 2HA GLY 37 10.568 12.662 -2.132 263 H GLU 38 H GLU 38 10.968 11.788 -0.160 264 HA GLU 38 HA GLU 38 13.474 10.338 0.120 265 HB2 GLU 38 1HB GLU 38 13.201 12.194 1.605 266 HB3 GLU 38 2HB GLU 38 11.617 11.629 2.117 267 HG2 GLU 38 1HG GLU 38 13.344 11.239 3.807 268 HG3 GLU 38 2HG GLU 38 12.604 9.742 3.244 269 H LYS 39 H LYS 39 13.618 8.223 0.465 270 HA LYS 39 HA LYS 39 11.156 6.752 1.131 271 HB2 LYS 39 1HB LYS 39 12.445 4.773 0.163 272 HB3 LYS 39 2HB LYS 39 11.907 6.003 -0.973 273 HG2 LYS 39 1HG LYS 39 14.130 6.960 -1.037 274 HG3 LYS 39 2HG LYS 39 14.685 5.801 0.173 275 HD2 LYS 39 1HD LYS 39 13.515 4.955 -2.467 276 HD3 LYS 39 2HD LYS 39 15.238 5.270 -2.248 277 HE2 LYS 39 1HE LYS 39 13.658 3.314 -0.586 278 HE3 LYS 39 2HE LYS 39 14.569 2.866 -2.028 279 HZ1 LYS 39 3HZ LYS 39 15.748 4.160 0.370 280 HZ2 LYS 39 1HZ LYS 39 16.587 3.586 -0.982 281 HZ3 LYS 39 2HZ LYS 39 15.803 2.500 0.051 282 HA PRO 40 HA PRO 40 13.308 6.114 5.025 283 HB2 PRO 40 1HB PRO 40 11.178 4.993 6.281 284 HB3 PRO 40 2HB PRO 40 11.355 6.738 6.062 285 HG2 PRO 40 1HG PRO 40 9.734 4.784 4.475 286 HG3 PRO 40 2HG PRO 40 9.294 6.408 5.037 287 HD2 PRO 40 1HD PRO 40 10.089 5.911 2.496 288 HD3 PRO 40 2HD PRO 40 10.429 7.446 3.320 289 H SER 41 H SER 41 14.612 4.446 5.411 290 HA SER 41 HA SER 41 14.245 1.919 4.132 291 HB2 SER 41 1HB SER 41 16.297 1.279 5.456 292 HB3 SER 41 2HB SER 41 16.492 2.703 4.434 293 HG SER 41 HG SER 41 16.587 2.473 7.165 294 H GLY 42 H GLY 42 13.243 0.156 4.857 295 HA2 GLY 42 1HA GLY 42 11.792 0.203 7.305 296 HA3 GLY 42 2HA GLY 42 11.942 -1.168 6.216 297 HA PRO 43 HA PRO 43 14.194 -2.113 10.179 298 HB2 PRO 43 1HB PRO 43 13.014 -4.528 10.565 299 HB3 PRO 43 2HB PRO 43 12.318 -3.013 11.154 300 HG2 PRO 43 1HG PRO 43 11.635 -4.583 8.699 301 HG3 PRO 43 2HG PRO 43 10.551 -3.795 9.860 302 HD2 PRO 43 1HD PRO 43 11.175 -2.690 7.468 303 HD3 PRO 43 2HD PRO 43 10.846 -1.714 8.914 304 H SER 44 H SER 44 16.184 -2.860 9.852 305 HA SER 44 HA SER 44 16.793 -4.578 7.622 306 HB2 SER 44 1HB SER 44 18.386 -3.123 9.695 307 HB3 SER 44 2HB SER 44 19.150 -4.443 8.809 308 HG SER 44 HG SER 44 17.859 -2.916 7.063 309 H SER 45 H SER 45 17.201 -6.712 7.636 310 HA SER 45 HA SER 45 17.233 -8.873 8.348 311 HB2 SER 45 1HB SER 45 19.299 -7.817 9.535 312 HB3 SER 45 2HB SER 45 18.320 -7.955 10.995 313 HG SER 45 HG SER 45 18.774 -9.995 11.027 314 H GLY 46 H GLY 46 14.803 -7.567 8.677 315 HA2 GLY 46 1HA GLY 46 13.829 -8.439 11.310 316 HA3 GLY 46 2HA GLY 46 12.992 -7.342 10.222 Start of MODEL 14 1 H1 GLY 1 H GLY 1 14.336 -17.921 -8.022 2 HA2 GLY 1 1HA GLY 1 14.039 -20.759 -8.327 3 HA3 GLY 1 2HA GLY 1 13.307 -20.167 -6.843 4 H SER 2 H SER 2 11.222 -20.705 -7.513 5 HA SER 2 HA SER 2 9.921 -18.688 -9.086 6 HB2 SER 2 1HB SER 2 10.753 -20.221 -10.854 7 HB3 SER 2 2HB SER 2 9.856 -21.540 -10.102 8 HG SER 2 HG SER 2 8.781 -20.417 -11.886 9 H SER 3 H SER 3 7.609 -18.808 -8.964 10 HA SER 3 HA SER 3 6.209 -20.840 -7.609 11 HB2 SER 3 1HB SER 3 7.373 -20.150 -5.617 12 HB3 SER 3 2HB SER 3 7.009 -18.453 -5.931 13 HG SER 3 HG SER 3 5.008 -18.733 -5.240 14 H GLY 4 H GLY 4 4.345 -20.666 -8.659 15 HA2 GLY 4 1HA GLY 4 3.414 -18.212 -9.780 16 HA3 GLY 4 2HA GLY 4 2.543 -19.739 -9.753 17 H SER 5 H SER 5 0.905 -17.796 -9.445 18 HA SER 5 HA SER 5 0.109 -17.934 -6.662 19 HB2 SER 5 1HB SER 5 0.477 -15.241 -7.995 20 HB3 SER 5 2HB SER 5 -0.109 -15.532 -6.357 21 HG SER 5 HG SER 5 1.935 -15.318 -5.882 22 H SER 6 H SER 6 -2.051 -18.024 -6.455 23 HA SER 6 HA SER 6 -3.666 -17.412 -8.844 24 HB2 SER 6 1HB SER 6 -5.253 -19.149 -8.002 25 HB3 SER 6 2HB SER 6 -3.666 -19.796 -8.417 26 HG SER 6 HG SER 6 -4.776 -19.327 -5.865 27 H GLY 7 H GLY 7 -3.576 -17.358 -5.308 28 HA2 GLY 7 1HA GLY 7 -6.078 -15.955 -5.079 29 HA3 GLY 7 2HA GLY 7 -4.938 -16.277 -3.781 30 H THR 8 H THR 8 -6.227 -13.934 -5.824 31 HA THR 8 HA THR 8 -3.991 -12.124 -5.799 32 HB THR 8 HB THR 8 -5.617 -10.465 -6.694 33 HG1 THR 8 HG1 THR 8 -7.502 -12.577 -6.803 34 HG21 THR 8 3HG2 THR 8 -5.120 -11.294 -8.701 35 HG22 THR 8 1HG2 THR 8 -6.292 -12.594 -8.495 36 HG23 THR 8 2HG2 THR 8 -4.637 -12.801 -7.923 37 H ALA 9 H ALA 9 -4.005 -10.032 -4.762 38 HA ALA 9 HA ALA 9 -4.272 -10.017 -2.064 39 HB1 ALA 9 3HB ALA 9 -3.904 -8.027 -4.097 40 HB2 ALA 9 1HB ALA 9 -4.927 -7.394 -2.807 41 HB3 ALA 9 2HB ALA 9 -3.330 -8.041 -2.429 42 H GLU 10 H GLU 10 -5.869 -9.981 -0.615 43 HA GLU 10 HA GLU 10 -8.479 -10.510 -1.102 44 HB2 GLU 10 1HB GLU 10 -7.369 -10.465 1.143 45 HB3 GLU 10 2HB GLU 10 -7.552 -8.717 1.146 46 HG2 GLU 10 1HG GLU 10 -9.888 -8.849 1.280 47 HG3 GLU 10 2HG GLU 10 -9.900 -10.552 0.827 48 H LYS 11 H LYS 11 -6.895 -7.475 -1.520 49 HA LYS 11 HA LYS 11 -9.486 -6.196 -2.105 50 HB2 LYS 11 1HB LYS 11 -6.897 -4.827 -1.356 51 HB3 LYS 11 2HB LYS 11 -8.460 -4.056 -1.596 52 HG2 LYS 11 1HG LYS 11 -7.610 -5.875 0.635 53 HG3 LYS 11 2HG LYS 11 -8.149 -4.197 0.730 54 HD2 LYS 11 1HD LYS 11 -9.820 -6.602 0.007 55 HD3 LYS 11 2HD LYS 11 -9.923 -5.644 1.486 56 HE2 LYS 11 1HE LYS 11 -10.434 -3.663 -0.034 57 HE3 LYS 11 2HE LYS 11 -10.672 -4.850 -1.316 58 HZ1 LYS 11 3HZ LYS 11 -12.661 -4.048 0.146 59 HZ2 LYS 11 1HZ LYS 11 -12.089 -5.218 1.226 60 HZ3 LYS 11 2HZ LYS 11 -12.552 -5.665 -0.338 61 HA PRO 12 HA PRO 12 -8.299 -5.738 -6.308 62 HB2 PRO 12 1HB PRO 12 -9.557 -3.418 -6.944 63 HB3 PRO 12 2HB PRO 12 -10.419 -4.940 -6.689 64 HG2 PRO 12 1HG PRO 12 -10.035 -2.643 -4.808 65 HG3 PRO 12 2HG PRO 12 -11.496 -3.597 -5.125 66 HD2 PRO 12 1HD PRO 12 -9.922 -4.016 -2.961 67 HD3 PRO 12 2HD PRO 12 -10.813 -5.326 -3.762 68 H PHE 13 H PHE 13 -7.729 -3.063 -4.104 69 HA PHE 13 HA PHE 13 -5.773 -1.886 -5.930 70 HB2 PHE 13 1HB PHE 13 -6.610 -0.869 -3.211 71 HB3 PHE 13 2HB PHE 13 -5.758 0.020 -4.469 72 HD1 PHE 13 HD1 PHE 13 -6.935 0.845 -6.426 73 HD2 PHE 13 HD2 PHE 13 -8.985 -1.228 -3.325 74 HE1 PHE 13 HE1 PHE 13 -9.084 1.653 -7.311 75 HE2 PHE 13 HE2 PHE 13 -11.137 -0.424 -4.206 76 HZ PHE 13 HZ PHE 13 -11.189 1.018 -6.202 77 H ARG 14 H ARG 14 -3.600 -1.716 -5.472 78 HA ARG 14 HA ARG 14 -2.549 -2.748 -2.977 79 HB2 ARG 14 1HB ARG 14 -2.928 -4.687 -4.662 80 HB3 ARG 14 2HB ARG 14 -1.536 -4.017 -5.502 81 HG2 ARG 14 1HG ARG 14 -0.296 -4.204 -3.299 82 HG3 ARG 14 2HG ARG 14 -1.655 -5.182 -2.740 83 HD2 ARG 14 1HD ARG 14 0.152 -5.753 -5.084 84 HD3 ARG 14 2HD ARG 14 0.088 -6.631 -3.556 85 HE ARG 14 HE ARG 14 -2.419 -6.906 -4.456 86 HH11 ARG 14 1HH1 ARG 14 0.664 -7.362 -6.007 87 HH12 ARG 14 2HH1 ARG 14 0.089 -8.596 -7.078 88 HH21 ARG 14 1HH2 ARG 14 -3.188 -8.529 -5.862 89 HH22 ARG 14 2HH2 ARG 14 -2.102 -9.259 -6.996 90 H CYS 15 H CYS 15 -0.610 -1.866 -2.457 91 HA CYS 15 HA CYS 15 0.410 0.191 -4.242 92 HB2 CYS 15 1HB CYS 15 0.055 0.762 -1.891 93 HB3 CYS 15 2HB CYS 15 1.159 -0.518 -1.398 94 H ASP 16 H ASP 16 1.830 -0.426 -5.732 95 HA ASP 16 HA ASP 16 3.550 -2.707 -5.343 96 HB2 ASP 16 1HB ASP 16 2.903 -0.866 -7.588 97 HB3 ASP 16 2HB ASP 16 4.464 -1.681 -7.638 98 H THR 17 H THR 17 4.044 -0.753 -3.420 99 HA THR 17 HA THR 17 6.784 0.041 -4.140 100 HB THR 17 HB THR 17 4.934 1.716 -2.435 101 HG1 THR 17 HG1 THR 17 4.182 2.224 -4.370 102 HG21 THR 17 3HG2 THR 17 6.658 3.366 -2.481 103 HG22 THR 17 1HG2 THR 17 7.598 2.439 -3.649 104 HG23 THR 17 2HG2 THR 17 7.408 1.845 -1.999 105 H CYS 18 H CYS 18 4.524 -0.373 -1.416 106 HA CYS 18 HA CYS 18 6.771 -1.457 0.155 107 HB2 CYS 18 1HB CYS 18 5.626 -0.658 2.172 108 HB3 CYS 18 2HB CYS 18 5.966 0.671 1.069 109 H ASP 19 H ASP 19 4.424 -2.550 -1.619 110 HA ASP 19 HA ASP 19 3.192 -4.460 -1.697 111 HB2 ASP 19 1HB ASP 19 5.368 -5.361 -0.700 112 HB3 ASP 19 2HB ASP 19 4.547 -5.314 0.858 113 H LYS 20 H LYS 20 1.747 -2.459 -0.815 114 HA LYS 20 HA LYS 20 0.318 -3.477 1.554 115 HB2 LYS 20 1HB LYS 20 1.004 -0.731 0.662 116 HB3 LYS 20 2HB LYS 20 -0.584 -0.949 1.387 117 HG2 LYS 20 1HG LYS 20 0.679 -2.126 3.292 118 HG3 LYS 20 2HG LYS 20 2.116 -1.358 2.613 119 HD2 LYS 20 1HD LYS 20 1.229 0.815 2.970 120 HD3 LYS 20 2HD LYS 20 -0.375 0.174 3.331 121 HE2 LYS 20 1HE LYS 20 0.236 -0.534 5.437 122 HE3 LYS 20 2HE LYS 20 1.943 -0.659 5.014 123 HZ1 LYS 20 3HZ LYS 20 0.396 1.696 5.817 124 HZ2 LYS 20 1HZ LYS 20 1.689 1.917 4.748 125 HZ3 LYS 20 2HZ LYS 20 1.957 1.226 6.269 126 H SER 21 H SER 21 -2.056 -2.481 1.494 127 HA SER 21 HA SER 21 -3.229 -2.452 -1.146 128 HB2 SER 21 1HB SER 21 -4.821 -4.356 -0.496 129 HB3 SER 21 2HB SER 21 -3.181 -4.810 -0.959 130 HG SER 21 HG SER 21 -3.194 -5.803 0.895 131 H PHE 22 H PHE 22 -5.298 -1.591 -1.182 132 HA PHE 22 HA PHE 22 -6.437 -0.795 1.410 133 HB2 PHE 22 1HB PHE 22 -6.159 0.980 -1.024 134 HB3 PHE 22 2HB PHE 22 -6.995 1.413 0.464 135 HD1 PHE 22 HD2 PHE 22 -3.660 0.143 -0.632 136 HD2 PHE 22 HD1 PHE 22 -5.851 2.688 1.984 137 HE1 PHE 22 HE2 PHE 22 -1.549 0.998 0.298 138 HE2 PHE 22 HE1 PHE 22 -3.743 3.548 2.918 139 HZ PHE 22 HZ PHE 22 -1.589 2.702 2.076 140 H ARG 23 H ARG 23 -8.725 0.217 0.962 141 HA ARG 23 HA ARG 23 -10.144 -1.722 -0.726 142 HB2 ARG 23 1HB ARG 23 -11.346 0.026 1.419 143 HB3 ARG 23 2HB ARG 23 -12.054 -1.398 0.667 144 HG2 ARG 23 1HG ARG 23 -10.139 -2.711 1.683 145 HG3 ARG 23 2HG ARG 23 -9.794 -1.267 2.636 146 HD2 ARG 23 1HD ARG 23 -11.183 -2.817 3.894 147 HD3 ARG 23 2HD ARG 23 -12.065 -1.330 3.546 148 HE ARG 23 HE ARG 23 -12.826 -2.904 1.520 149 HH11 ARG 23 1HH1 ARG 23 -12.646 -3.473 4.950 150 HH12 ARG 23 2HH1 ARG 23 -13.961 -4.601 4.964 151 HH21 ARG 23 1HH2 ARG 23 -14.558 -4.388 1.526 152 HH22 ARG 23 2HH2 ARG 23 -15.047 -5.122 3.015 153 H GLN 24 H GLN 24 -9.779 1.709 -0.068 154 HA GLN 24 HA GLN 24 -11.604 2.326 -2.285 155 HB2 GLN 24 1HB GLN 24 -10.458 4.295 -0.311 156 HB3 GLN 24 2HB GLN 24 -11.838 4.514 -1.379 157 HG2 GLN 24 1HG GLN 24 -13.109 2.884 -0.107 158 HG3 GLN 24 2HG GLN 24 -11.721 2.601 0.942 159 HE21 GLN 24 1HE2 GLN 24 -14.160 3.345 1.961 160 HE22 GLN 24 2HE2 GLN 24 -14.051 4.943 2.607 161 H ARG 25 H ARG 25 -10.850 3.098 -4.153 162 HA ARG 25 HA ARG 25 -8.183 3.035 -4.866 163 HB2 ARG 25 1HB ARG 25 -10.177 3.116 -6.410 164 HB3 ARG 25 2HB ARG 25 -10.241 4.850 -6.125 165 HG2 ARG 25 1HG ARG 25 -7.941 5.040 -7.015 166 HG3 ARG 25 2HG ARG 25 -7.983 3.317 -7.392 167 HD2 ARG 25 1HD ARG 25 -9.942 3.711 -8.837 168 HD3 ARG 25 2HD ARG 25 -9.822 5.437 -8.496 169 HE ARG 25 HE ARG 25 -8.063 5.576 -9.963 170 HH11 ARG 25 1HH1 ARG 25 -8.714 2.232 -9.246 171 HH12 ARG 25 2HH1 ARG 25 -7.646 1.627 -10.468 172 HH21 ARG 25 1HH2 ARG 25 -6.654 4.792 -11.576 173 HH22 ARG 25 2HH2 ARG 25 -6.474 3.083 -11.792 174 H SER 26 H SER 26 -10.036 5.644 -3.449 175 HA SER 26 HA SER 26 -8.091 7.681 -3.912 176 HB2 SER 26 1HB SER 26 -10.557 8.055 -3.459 177 HB3 SER 26 2HB SER 26 -10.223 7.681 -1.768 178 HG SER 26 HG SER 26 -10.111 9.905 -2.083 179 H ALA 27 H ALA 27 -8.427 5.159 -1.613 180 HA ALA 27 HA ALA 27 -6.801 6.391 0.426 181 HB1 ALA 27 3HB ALA 27 -7.395 4.659 1.743 182 HB2 ALA 27 1HB ALA 27 -8.644 4.432 0.518 183 HB3 ALA 27 2HB ALA 27 -7.168 3.467 0.463 184 H LEU 28 H LEU 28 -6.338 4.203 -2.267 185 HA LEU 28 HA LEU 28 -3.593 3.630 -1.498 186 HB2 LEU 28 1HB LEU 28 -4.497 1.745 -2.429 187 HB3 LEU 28 2HB LEU 28 -5.478 2.652 -3.578 188 HG LEU 28 HG LEU 28 -3.083 3.189 -4.604 189 HD11 LEU 28 1HD1 LEU 28 -2.724 0.702 -2.982 190 HD12 LEU 28 2HD1 LEU 28 -1.637 2.076 -3.179 191 HD13 LEU 28 3HD1 LEU 28 -1.845 0.922 -4.496 192 HD21 LEU 28 3HD2 LEU 28 -3.999 0.478 -5.296 193 HD22 LEU 28 1HD2 LEU 28 -3.762 1.896 -6.318 194 HD23 LEU 28 2HD2 LEU 28 -5.232 1.739 -5.357 195 H ASN 29 H ASN 29 -5.305 5.205 -4.190 196 HA ASN 29 HA ASN 29 -3.129 6.014 -5.690 197 HB2 ASN 29 1HB ASN 29 -5.894 7.072 -5.305 198 HB3 ASN 29 2HB ASN 29 -4.736 8.070 -6.180 199 HD21 ASN 29 1HD2 ASN 29 -6.996 7.137 -7.400 200 HD22 ASN 29 2HD2 ASN 29 -6.571 5.958 -8.589 201 H SER 30 H SER 30 -4.288 7.242 -2.663 202 HA SER 30 HA SER 30 -2.647 9.642 -2.830 203 HB2 SER 30 1HB SER 30 -4.908 9.750 -1.810 204 HB3 SER 30 2HB SER 30 -4.369 8.644 -0.548 205 HG SER 30 HG SER 30 -3.982 11.319 -0.778 206 H HIS 31 H HIS 31 -2.772 6.579 -1.091 207 HA HIS 31 HA HIS 31 -0.715 7.051 0.746 208 HB2 HIS 31 1HB HIS 31 -2.038 5.141 1.129 209 HB3 HIS 31 2HB HIS 31 -1.799 4.540 -0.509 210 HD1 HIS 31 HD1 HIS 31 -0.055 4.808 2.811 211 HD2 HIS 31 HD2 HIS 31 0.452 2.971 -0.881 212 HE1 HIS 31 HE1 HIS 31 1.843 3.188 3.121 213 H ARG 32 H ARG 32 -0.626 5.895 -2.586 214 HA ARG 32 HA ARG 32 2.076 5.163 -2.688 215 HB2 ARG 32 1HB ARG 32 0.350 6.268 -4.911 216 HB3 ARG 32 2HB ARG 32 1.864 5.399 -5.123 217 HG2 ARG 32 1HG ARG 32 0.589 3.552 -3.731 218 HG3 ARG 32 2HG ARG 32 -0.823 4.384 -4.385 219 HD2 ARG 32 1HD ARG 32 -0.145 2.539 -5.828 220 HD3 ARG 32 2HD ARG 32 0.044 4.089 -6.648 221 HE ARG 32 HE ARG 32 2.477 3.421 -5.436 222 HH11 ARG 32 1HH1 ARG 32 0.408 2.341 -8.019 223 HH12 ARG 32 2HH1 ARG 32 1.708 1.691 -8.963 224 HH21 ARG 32 1HH2 ARG 32 4.196 2.568 -6.669 225 HH22 ARG 32 2HH2 ARG 32 3.862 1.820 -8.194 226 H MET 33 H MET 33 0.567 8.256 -2.606 227 HA MET 33 HA MET 33 2.602 9.780 -3.851 228 HB2 MET 33 1HB MET 33 0.624 10.643 -1.733 229 HB3 MET 33 2HB MET 33 1.543 11.710 -2.786 230 HG2 MET 33 1HG MET 33 0.392 10.755 -4.731 231 HG3 MET 33 2HG MET 33 -0.552 9.732 -3.652 232 HE1 MET 33 3HE MET 33 -2.999 12.065 -5.166 233 HE2 MET 33 1HE MET 33 -1.611 13.031 -5.668 234 HE3 MET 33 2HE MET 33 -1.553 11.273 -5.795 235 H ILE 34 H ILE 34 1.972 8.919 -0.469 236 HA ILE 34 HA ILE 34 3.899 10.414 0.804 237 HB ILE 34 HB ILE 34 3.683 9.025 2.633 238 HG12 ILE 34 1HG1 ILE 34 3.496 6.795 0.626 239 HG13 ILE 34 2HG1 ILE 34 4.652 7.006 1.937 240 HG21 ILE 34 1HG2 ILE 34 1.412 8.552 2.851 241 HG22 ILE 34 2HG2 ILE 34 1.460 9.780 1.588 242 HG23 ILE 34 3HG2 ILE 34 1.250 8.083 1.159 243 HD11 ILE 34 3HD1 ILE 34 3.007 5.195 2.311 244 HD12 ILE 34 1HD1 ILE 34 3.001 6.434 3.565 245 HD13 ILE 34 2HD1 ILE 34 1.733 6.414 2.340 246 H HIS 35 H HIS 35 4.306 7.608 -1.210 247 HA HIS 35 HA HIS 35 7.032 7.128 -0.401 248 HB2 HIS 35 1HB HIS 35 5.444 6.034 -2.732 249 HB3 HIS 35 2HB HIS 35 7.036 5.470 -2.236 250 HD1 HIS 35 HD1 HIS 35 6.721 5.121 0.734 251 HD2 HIS 35 HD2 HIS 35 3.761 4.058 -1.980 252 HE1 HIS 35 HE1 HIS 35 5.308 3.410 1.917 253 H THR 36 H THR 36 5.370 8.666 -3.105 254 HA THR 36 HA THR 36 7.532 9.091 -4.802 255 HB THR 36 HB THR 36 6.256 10.801 -5.868 256 HG1 THR 36 HG1 THR 36 4.338 10.911 -3.820 257 HG21 THR 36 3HG2 THR 36 4.233 8.906 -4.679 258 HG22 THR 36 1HG2 THR 36 5.360 8.457 -5.958 259 HG23 THR 36 2HG2 THR 36 4.158 9.715 -6.244 260 H GLY 37 H GLY 37 9.361 10.179 -4.527 261 HA2 GLY 37 1HA GLY 37 9.385 12.387 -2.565 262 HA3 GLY 37 2HA GLY 37 10.765 11.354 -2.901 263 H GLU 38 H GLU 38 12.154 13.001 -3.472 264 HA GLU 38 HA GLU 38 11.584 15.140 -5.166 265 HB2 GLU 38 1HB GLU 38 13.911 15.518 -5.282 266 HB3 GLU 38 2HB GLU 38 13.638 14.793 -3.704 267 HG2 GLU 38 1HG GLU 38 14.342 13.031 -5.995 268 HG3 GLU 38 2HG GLU 38 15.604 13.999 -5.236 269 H LYS 39 H LYS 39 13.191 15.273 -7.271 270 HA LYS 39 HA LYS 39 12.857 14.869 -9.540 271 HB2 LYS 39 1HB LYS 39 14.286 13.089 -10.233 272 HB3 LYS 39 2HB LYS 39 14.977 13.759 -8.761 273 HG2 LYS 39 1HG LYS 39 13.553 11.842 -7.637 274 HG3 LYS 39 2HG LYS 39 13.717 11.115 -9.237 275 HD2 LYS 39 1HD LYS 39 16.139 12.229 -7.901 276 HD3 LYS 39 2HD LYS 39 15.505 10.673 -7.360 277 HE2 LYS 39 1HE LYS 39 15.574 9.919 -9.747 278 HE3 LYS 39 2HE LYS 39 16.413 11.420 -10.135 279 HZ1 LYS 39 3HZ LYS 39 18.308 10.726 -9.141 280 HZ2 LYS 39 1HZ LYS 39 17.692 9.201 -9.538 281 HZ3 LYS 39 2HZ LYS 39 17.511 9.804 -7.968 282 HA PRO 40 HA PRO 40 9.156 12.005 -8.895 283 HB2 PRO 40 1HB PRO 40 7.232 13.866 -9.345 284 HB3 PRO 40 2HB PRO 40 7.892 13.536 -7.739 285 HG2 PRO 40 1HG PRO 40 8.572 15.737 -9.651 286 HG3 PRO 40 2HG PRO 40 8.328 15.814 -7.896 287 HD2 PRO 40 1HD PRO 40 10.789 15.762 -9.024 288 HD3 PRO 40 2HD PRO 40 10.449 15.035 -7.440 289 H SER 41 H SER 41 7.083 12.205 -10.533 290 HA SER 41 HA SER 41 8.274 12.430 -13.220 291 HB2 SER 41 1HB SER 41 6.059 10.572 -12.316 292 HB3 SER 41 2HB SER 41 6.760 10.642 -13.932 293 HG SER 41 HG SER 41 8.473 9.592 -13.249 294 H GLY 42 H GLY 42 7.161 14.675 -12.036 295 HA2 GLY 42 1HA GLY 42 5.847 16.187 -13.540 296 HA3 GLY 42 2HA GLY 42 4.599 14.950 -13.484 297 HA PRO 43 HA PRO 43 3.964 18.197 -10.128 298 HB2 PRO 43 1HB PRO 43 1.586 19.133 -11.043 299 HB3 PRO 43 2HB PRO 43 3.141 19.808 -11.545 300 HG2 PRO 43 1HG PRO 43 1.381 17.845 -12.964 301 HG3 PRO 43 2HG PRO 43 2.256 19.241 -13.620 302 HD2 PRO 43 1HD PRO 43 3.171 16.704 -13.862 303 HD3 PRO 43 2HD PRO 43 4.257 18.101 -13.717 304 H SER 44 H SER 44 1.461 16.268 -11.783 305 HA SER 44 HA SER 44 -0.349 15.130 -10.950 306 HB2 SER 44 1HB SER 44 0.285 13.383 -9.323 307 HB3 SER 44 2HB SER 44 1.467 13.520 -10.624 308 HG SER 44 HG SER 44 1.735 14.029 -7.932 309 H SER 45 H SER 45 -0.376 17.736 -10.022 310 HA SER 45 HA SER 45 -1.040 17.544 -7.173 311 HB2 SER 45 1HB SER 45 -1.092 20.026 -7.244 312 HB3 SER 45 2HB SER 45 0.458 19.370 -7.768 313 HG SER 45 HG SER 45 -1.640 20.222 -9.482 314 H GLY 46 H GLY 46 -3.001 18.709 -6.429 315 HA2 GLY 46 1HA GLY 46 -5.280 17.812 -7.909 316 HA3 GLY 46 2HA GLY 46 -5.307 18.716 -6.402 Start of MODEL 15 1 H1 GLY 1 H GLY 1 10.660 -23.398 -3.477 2 HA2 GLY 1 1HA GLY 1 9.587 -25.550 -4.921 3 HA3 GLY 1 2HA GLY 1 9.410 -25.902 -3.208 4 H SER 2 H SER 2 9.137 -22.858 -5.028 5 HA SER 2 HA SER 2 6.639 -22.295 -3.648 6 HB2 SER 2 1HB SER 2 8.391 -20.540 -3.879 7 HB3 SER 2 2HB SER 2 8.159 -20.580 -5.627 8 HG SER 2 HG SER 2 6.251 -19.853 -3.658 9 H SER 3 H SER 3 5.123 -23.640 -4.566 10 HA SER 3 HA SER 3 4.606 -23.249 -7.441 11 HB2 SER 3 1HB SER 3 5.208 -25.584 -6.747 12 HB3 SER 3 2HB SER 3 3.755 -25.610 -5.748 13 HG SER 3 HG SER 3 3.782 -25.139 -8.547 14 H GLY 4 H GLY 4 3.679 -21.371 -5.613 15 HA2 GLY 4 1HA GLY 4 0.798 -21.993 -5.429 16 HA3 GLY 4 2HA GLY 4 1.637 -20.859 -4.380 17 H SER 5 H SER 5 -0.688 -20.701 -6.373 18 HA SER 5 HA SER 5 -0.179 -19.246 -8.610 19 HB2 SER 5 1HB SER 5 -2.405 -19.128 -6.610 20 HB3 SER 5 2HB SER 5 -2.360 -17.942 -7.915 21 HG SER 5 HG SER 5 -2.243 -20.753 -8.294 22 H SER 6 H SER 6 -0.366 -17.972 -5.303 23 HA SER 6 HA SER 6 0.203 -15.947 -4.414 24 HB2 SER 6 1HB SER 6 2.426 -17.080 -5.303 25 HB3 SER 6 2HB SER 6 2.421 -15.702 -6.403 26 HG SER 6 HG SER 6 3.433 -14.872 -4.708 27 H GLY 7 H GLY 7 -1.798 -15.732 -6.351 28 HA2 GLY 7 1HA GLY 7 -1.109 -13.157 -7.630 29 HA3 GLY 7 2HA GLY 7 -2.212 -14.323 -8.347 30 H THR 8 H THR 8 -3.879 -15.015 -6.373 31 HA THR 8 HA THR 8 -5.853 -13.198 -6.290 32 HB THR 8 HB THR 8 -5.989 -15.490 -5.315 33 HG1 THR 8 HG1 THR 8 -7.655 -14.896 -4.038 34 HG21 THR 8 3HG2 THR 8 -3.886 -14.934 -3.825 35 HG22 THR 8 1HG2 THR 8 -5.124 -16.056 -3.262 36 HG23 THR 8 2HG2 THR 8 -5.116 -14.389 -2.685 37 H ALA 9 H ALA 9 -6.541 -11.489 -5.011 38 HA ALA 9 HA ALA 9 -4.709 -10.472 -2.968 39 HB1 ALA 9 3HB ALA 9 -5.576 -8.210 -4.415 40 HB2 ALA 9 1HB ALA 9 -3.933 -8.830 -4.239 41 HB3 ALA 9 2HB ALA 9 -4.938 -9.364 -5.587 42 H GLU 10 H GLU 10 -5.987 -10.436 -1.230 43 HA GLU 10 HA GLU 10 -8.632 -10.495 -0.915 44 HB2 GLU 10 1HB GLU 10 -6.496 -9.142 0.640 45 HB3 GLU 10 2HB GLU 10 -8.155 -8.730 1.048 46 HG2 GLU 10 1HG GLU 10 -6.816 -11.409 1.182 47 HG3 GLU 10 2HG GLU 10 -7.551 -10.481 2.488 48 H LYS 11 H LYS 11 -6.811 -7.593 -1.753 49 HA LYS 11 HA LYS 11 -9.365 -6.265 -2.383 50 HB2 LYS 11 1HB LYS 11 -6.846 -4.928 -1.379 51 HB3 LYS 11 2HB LYS 11 -8.361 -4.126 -1.770 52 HG2 LYS 11 1HG LYS 11 -7.878 -6.082 0.465 53 HG3 LYS 11 2HG LYS 11 -8.168 -4.347 0.610 54 HD2 LYS 11 1HD LYS 11 -10.084 -6.515 -0.192 55 HD3 LYS 11 2HD LYS 11 -10.235 -5.333 1.110 56 HE2 LYS 11 1HE LYS 11 -10.091 -3.652 -0.953 57 HE3 LYS 11 2HE LYS 11 -10.760 -5.049 -1.795 58 HZ1 LYS 11 3HZ LYS 11 -12.237 -3.241 -0.508 59 HZ2 LYS 11 1HZ LYS 11 -12.033 -4.384 0.723 60 HZ3 LYS 11 2HZ LYS 11 -12.723 -4.843 -0.752 61 HA PRO 12 HA PRO 12 -7.861 -5.727 -6.475 62 HB2 PRO 12 1HB PRO 12 -9.129 -3.431 -7.175 63 HB3 PRO 12 2HB PRO 12 -9.966 -4.980 -7.012 64 HG2 PRO 12 1HG PRO 12 -9.796 -2.706 -5.072 65 HG3 PRO 12 2HG PRO 12 -11.200 -3.694 -5.518 66 HD2 PRO 12 1HD PRO 12 -9.791 -4.106 -3.243 67 HD3 PRO 12 2HD PRO 12 -10.579 -5.426 -4.131 68 H PHE 13 H PHE 13 -7.568 -3.047 -4.215 69 HA PHE 13 HA PHE 13 -5.547 -1.747 -5.859 70 HB2 PHE 13 1HB PHE 13 -6.428 -0.909 -3.099 71 HB3 PHE 13 2HB PHE 13 -5.678 0.081 -4.347 72 HD1 PHE 13 HD2 PHE 13 -8.780 -1.504 -3.223 73 HD2 PHE 13 HD1 PHE 13 -6.969 0.989 -6.160 74 HE1 PHE 13 HE2 PHE 13 -11.008 -0.808 -4.002 75 HE2 PHE 13 HE1 PHE 13 -9.194 1.689 -6.943 76 HZ PHE 13 HZ PHE 13 -11.217 0.790 -5.865 77 H ARG 14 H ARG 14 -3.396 -1.689 -5.423 78 HA ARG 14 HA ARG 14 -2.360 -2.707 -2.917 79 HB2 ARG 14 1HB ARG 14 -2.734 -4.729 -4.352 80 HB3 ARG 14 2HB ARG 14 -1.589 -4.058 -5.506 81 HG2 ARG 14 1HG ARG 14 0.160 -4.114 -3.788 82 HG3 ARG 14 2HG ARG 14 -0.993 -4.823 -2.656 83 HD2 ARG 14 1HD ARG 14 0.443 -6.526 -3.675 84 HD3 ARG 14 2HD ARG 14 -1.251 -6.760 -4.102 85 HE ARG 14 HE ARG 14 0.259 -5.235 -6.025 86 HH11 ARG 14 1HH1 ARG 14 -0.743 -8.409 -5.006 87 HH12 ARG 14 2HH1 ARG 14 -0.531 -9.122 -6.571 88 HH21 ARG 14 1HH2 ARG 14 0.543 -6.161 -8.090 89 HH22 ARG 14 2HH2 ARG 14 0.202 -7.842 -8.324 90 H CYS 15 H CYS 15 -0.429 -1.819 -2.404 91 HA CYS 15 HA CYS 15 0.632 0.178 -4.227 92 HB2 CYS 15 1HB CYS 15 0.284 0.784 -1.879 93 HB3 CYS 15 2HB CYS 15 1.383 -0.495 -1.374 94 H ASP 16 H ASP 16 2.141 -0.358 -5.647 95 HA ASP 16 HA ASP 16 3.754 -2.725 -5.309 96 HB2 ASP 16 1HB ASP 16 2.761 -1.705 -7.510 97 HB3 ASP 16 2HB ASP 16 4.216 -0.713 -7.481 98 H THR 17 H THR 17 4.248 -0.906 -3.267 99 HA THR 17 HA THR 17 7.052 -0.223 -3.818 100 HB THR 17 HB THR 17 5.222 1.536 -2.180 101 HG1 THR 17 HG1 THR 17 5.246 2.919 -3.979 102 HG21 THR 17 3HG2 THR 17 8.088 1.720 -3.064 103 HG22 THR 17 1HG2 THR 17 7.424 1.865 -1.437 104 HG23 THR 17 2HG2 THR 17 7.166 3.154 -2.612 105 H CYS 18 H CYS 18 4.636 -0.444 -1.203 106 HA CYS 18 HA CYS 18 6.712 -1.681 0.482 107 HB2 CYS 18 1HB CYS 18 5.389 -0.894 2.422 108 HB3 CYS 18 2HB CYS 18 5.950 0.432 1.408 109 H ASP 19 H ASP 19 4.445 -2.660 -1.468 110 HA ASP 19 HA ASP 19 3.137 -4.512 -1.658 111 HB2 ASP 19 1HB ASP 19 5.184 -5.603 -0.724 112 HB3 ASP 19 2HB ASP 19 4.491 -5.427 0.886 113 H LYS 20 H LYS 20 1.822 -2.405 -0.641 114 HA LYS 20 HA LYS 20 0.260 -3.465 1.618 115 HB2 LYS 20 1HB LYS 20 1.000 -0.722 0.748 116 HB3 LYS 20 2HB LYS 20 -0.595 -0.928 1.460 117 HG2 LYS 20 1HG LYS 20 0.610 -2.105 3.380 118 HG3 LYS 20 2HG LYS 20 2.088 -1.414 2.705 119 HD2 LYS 20 1HD LYS 20 1.140 0.828 2.913 120 HD3 LYS 20 2HD LYS 20 -0.351 0.144 3.565 121 HE2 LYS 20 1HE LYS 20 0.697 0.673 5.518 122 HE3 LYS 20 2HE LYS 20 1.340 -0.952 5.283 123 HZ1 LYS 20 3HZ LYS 20 3.377 -0.130 4.582 124 HZ2 LYS 20 1HZ LYS 20 2.963 0.921 5.841 125 HZ3 LYS 20 2HZ LYS 20 2.767 1.409 4.234 126 H SER 21 H SER 21 -2.098 -2.485 1.518 127 HA SER 21 HA SER 21 -3.209 -2.391 -1.149 128 HB2 SER 21 1HB SER 21 -4.816 -4.290 -0.620 129 HB3 SER 21 2HB SER 21 -3.151 -4.766 -0.954 130 HG SER 21 HG SER 21 -4.120 -4.329 1.669 131 H PHE 22 H PHE 22 -5.286 -1.536 -1.218 132 HA PHE 22 HA PHE 22 -6.466 -0.753 1.359 133 HB2 PHE 22 1HB PHE 22 -6.163 1.051 -1.052 134 HB3 PHE 22 2HB PHE 22 -6.977 1.471 0.452 135 HD1 PHE 22 HD2 PHE 22 -3.670 0.224 -0.740 136 HD2 PHE 22 HD1 PHE 22 -5.802 2.664 2.019 137 HE1 PHE 22 HE2 PHE 22 -1.539 1.040 0.179 138 HE2 PHE 22 HE1 PHE 22 -3.675 3.486 2.942 139 HZ PHE 22 HZ PHE 22 -1.539 2.673 2.023 140 H ARG 23 H ARG 23 -8.749 0.177 0.970 141 HA ARG 23 HA ARG 23 -10.128 -1.659 -0.863 142 HB2 ARG 23 1HB ARG 23 -11.292 -0.140 1.475 143 HB3 ARG 23 2HB ARG 23 -12.073 -1.414 0.549 144 HG2 ARG 23 1HG ARG 23 -10.071 -2.863 1.342 145 HG3 ARG 23 2HG ARG 23 -9.895 -1.615 2.578 146 HD2 ARG 23 1HD ARG 23 -11.893 -2.134 3.581 147 HD3 ARG 23 2HD ARG 23 -12.591 -2.782 2.097 148 HE ARG 23 HE ARG 23 -11.795 -4.840 2.679 149 HH11 ARG 23 1HH1 ARG 23 -10.072 -2.419 4.493 150 HH12 ARG 23 2HH1 ARG 23 -9.222 -3.569 5.470 151 HH21 ARG 23 1HH2 ARG 23 -10.681 -6.364 3.959 152 HH22 ARG 23 2HH2 ARG 23 -9.568 -5.813 5.165 153 H GLN 24 H GLN 24 -9.862 1.714 0.088 154 HA GLN 24 HA GLN 24 -11.776 2.490 -1.984 155 HB2 GLN 24 1HB GLN 24 -10.384 4.343 -0.061 156 HB3 GLN 24 2HB GLN 24 -11.873 4.622 -0.953 157 HG2 GLN 24 1HG GLN 24 -13.076 3.098 0.413 158 HG3 GLN 24 2HG GLN 24 -11.596 2.519 1.174 159 HE21 GLN 24 1HE2 GLN 24 -12.501 3.012 3.209 160 HE22 GLN 24 2HE2 GLN 24 -12.553 4.638 3.792 161 H ARG 25 H ARG 25 -11.163 3.307 -3.882 162 HA ARG 25 HA ARG 25 -8.554 3.219 -4.808 163 HB2 ARG 25 1HB ARG 25 -10.604 3.309 -6.227 164 HB3 ARG 25 2HB ARG 25 -10.746 5.020 -5.848 165 HG2 ARG 25 1HG ARG 25 -8.633 5.471 -6.937 166 HG3 ARG 25 2HG ARG 25 -8.404 3.749 -7.249 167 HD2 ARG 25 1HD ARG 25 -9.218 4.617 -9.268 168 HD3 ARG 25 2HD ARG 25 -10.616 3.855 -8.511 169 HE ARG 25 HE ARG 25 -10.205 6.682 -8.976 170 HH11 ARG 25 1HH1 ARG 25 -12.014 4.234 -7.288 171 HH12 ARG 25 2HH1 ARG 25 -13.373 5.264 -6.982 172 HH21 ARG 25 1HH2 ARG 25 -11.988 8.049 -8.580 173 HH22 ARG 25 2HH2 ARG 25 -13.358 7.433 -7.719 174 H SER 26 H SER 26 -10.285 5.824 -3.230 175 HA SER 26 HA SER 26 -8.283 7.809 -3.772 176 HB2 SER 26 1HB SER 26 -10.433 7.920 -1.651 177 HB3 SER 26 2HB SER 26 -9.600 9.277 -2.409 178 HG SER 26 HG SER 26 -11.844 8.452 -3.165 179 H ALA 27 H ALA 27 -8.528 5.237 -1.610 180 HA ALA 27 HA ALA 27 -6.983 6.458 0.516 181 HB1 ALA 27 3HB ALA 27 -7.151 4.312 1.623 182 HB2 ALA 27 1HB ALA 27 -8.734 4.803 1.020 183 HB3 ALA 27 2HB ALA 27 -7.802 3.578 0.158 184 H LEU 28 H LEU 28 -6.481 4.268 -2.184 185 HA LEU 28 HA LEU 28 -3.729 3.749 -1.420 186 HB2 LEU 28 1HB LEU 28 -4.661 1.864 -2.361 187 HB3 LEU 28 2HB LEU 28 -5.565 2.784 -3.563 188 HG LEU 28 HG LEU 28 -3.093 3.278 -4.442 189 HD11 LEU 28 1HD1 LEU 28 -1.565 1.572 -4.096 190 HD12 LEU 28 2HD1 LEU 28 -2.792 0.455 -3.500 191 HD13 LEU 28 3HD1 LEU 28 -2.263 1.802 -2.492 192 HD21 LEU 28 3HD2 LEU 28 -3.778 2.098 -6.216 193 HD22 LEU 28 1HD2 LEU 28 -5.255 1.832 -5.288 194 HD23 LEU 28 2HD2 LEU 28 -3.975 0.619 -5.275 195 H ASN 29 H ASN 29 -5.461 5.341 -4.085 196 HA ASN 29 HA ASN 29 -3.332 6.176 -5.615 197 HB2 ASN 29 1HB ASN 29 -6.034 7.358 -5.074 198 HB3 ASN 29 2HB ASN 29 -4.879 8.239 -6.069 199 HD21 ASN 29 1HD2 ASN 29 -7.328 7.340 -7.016 200 HD22 ASN 29 2HD2 ASN 29 -7.050 6.121 -8.209 201 H SER 30 H SER 30 -4.387 7.364 -2.527 202 HA SER 30 HA SER 30 -2.713 9.735 -2.681 203 HB2 SER 30 1HB SER 30 -4.802 10.043 -1.548 204 HB3 SER 30 2HB SER 30 -4.521 8.638 -0.520 205 HG SER 30 HG SER 30 -3.141 9.763 0.678 206 H HIS 31 H HIS 31 -2.798 6.628 -1.009 207 HA HIS 31 HA HIS 31 -0.632 7.034 0.720 208 HB2 HIS 31 1HB HIS 31 -1.991 5.148 1.141 209 HB3 HIS 31 2HB HIS 31 -1.824 4.556 -0.509 210 HD1 HIS 31 HD1 HIS 31 0.016 4.735 2.757 211 HD2 HIS 31 HD2 HIS 31 0.420 2.992 -0.993 212 HE1 HIS 31 HE1 HIS 31 1.907 3.093 2.980 213 H ARG 32 H ARG 32 -0.758 5.911 -2.624 214 HA ARG 32 HA ARG 32 1.915 5.124 -2.891 215 HB2 ARG 32 1HB ARG 32 0.062 6.287 -4.979 216 HB3 ARG 32 2HB ARG 32 1.569 5.445 -5.316 217 HG2 ARG 32 1HG ARG 32 0.583 3.450 -4.135 218 HG3 ARG 32 2HG ARG 32 -0.955 4.315 -4.143 219 HD2 ARG 32 1HD ARG 32 0.682 3.519 -6.548 220 HD3 ARG 32 2HD ARG 32 -0.845 2.804 -6.031 221 HE ARG 32 HE ARG 32 -1.105 5.601 -6.471 222 HH11 ARG 32 1HH1 ARG 32 -0.892 2.538 -8.112 223 HH12 ARG 32 2HH1 ARG 32 -1.772 3.074 -9.505 224 HH21 ARG 32 1HH2 ARG 32 -2.265 6.319 -8.299 225 HH22 ARG 32 2HH2 ARG 32 -2.551 5.226 -9.610 226 H MET 33 H MET 33 0.481 8.254 -2.707 227 HA MET 33 HA MET 33 2.480 9.747 -4.032 228 HB2 MET 33 1HB MET 33 0.657 10.626 -1.787 229 HB3 MET 33 2HB MET 33 1.533 11.685 -2.883 230 HG2 MET 33 1HG MET 33 0.238 10.540 -4.754 231 HG3 MET 33 2HG MET 33 -0.792 9.893 -3.479 232 HE1 MET 33 3HE MET 33 -3.436 12.086 -4.022 233 HE2 MET 33 1HE MET 33 -2.594 12.138 -5.571 234 HE3 MET 33 2HE MET 33 -2.609 10.649 -4.624 235 H ILE 34 H ILE 34 2.028 8.854 -0.631 236 HA ILE 34 HA ILE 34 4.068 10.281 0.543 237 HB ILE 34 HB ILE 34 3.921 8.875 2.366 238 HG12 ILE 34 1HG1 ILE 34 3.562 6.681 0.346 239 HG13 ILE 34 2HG1 ILE 34 4.782 6.835 1.606 240 HG21 ILE 34 1HG2 ILE 34 1.377 7.991 1.065 241 HG22 ILE 34 2HG2 ILE 34 1.661 8.510 2.725 242 HG23 ILE 34 3HG2 ILE 34 1.655 9.695 1.420 243 HD11 ILE 34 3HD1 ILE 34 1.864 6.306 2.109 244 HD12 ILE 34 1HD1 ILE 34 3.120 5.069 2.048 245 HD13 ILE 34 2HD1 ILE 34 3.164 6.311 3.300 246 H HIS 35 H HIS 35 4.275 7.490 -1.522 247 HA HIS 35 HA HIS 35 7.045 6.957 -0.886 248 HB2 HIS 35 1HB HIS 35 5.271 5.847 -3.071 249 HB3 HIS 35 2HB HIS 35 6.886 5.264 -2.682 250 HD1 HIS 35 HD1 HIS 35 6.795 4.964 0.303 251 HD2 HIS 35 HD2 HIS 35 3.607 3.927 -2.151 252 HE1 HIS 35 HE1 HIS 35 5.444 3.303 1.622 253 H THR 36 H THR 36 5.266 8.098 -3.755 254 HA THR 36 HA THR 36 7.153 8.543 -5.586 255 HB THR 36 HB THR 36 5.973 10.496 -6.384 256 HG1 THR 36 HG1 THR 36 4.289 10.591 -4.148 257 HG21 THR 36 3HG2 THR 36 3.845 9.561 -6.702 258 HG22 THR 36 1HG2 THR 36 3.853 8.780 -5.121 259 HG23 THR 36 2HG2 THR 36 4.888 8.169 -6.412 260 H GLY 37 H GLY 37 9.098 9.451 -5.663 261 HA2 GLY 37 1HA GLY 37 9.647 11.991 -4.445 262 HA3 GLY 37 2HA GLY 37 10.424 10.661 -3.597 263 H GLU 38 H GLU 38 9.931 11.642 -6.994 264 HA GLU 38 HA GLU 38 12.821 11.248 -7.407 265 HB2 GLU 38 1HB GLU 38 10.547 10.495 -9.246 266 HB3 GLU 38 2HB GLU 38 12.230 10.547 -9.753 267 HG2 GLU 38 1HG GLU 38 12.678 8.914 -7.850 268 HG3 GLU 38 2HG GLU 38 10.930 8.700 -7.783 269 H LYS 39 H LYS 39 13.141 13.490 -7.079 270 HA LYS 39 HA LYS 39 12.200 15.162 -9.317 271 HB2 LYS 39 1HB LYS 39 12.438 15.762 -6.395 272 HB3 LYS 39 2HB LYS 39 12.660 17.063 -7.558 273 HG2 LYS 39 1HG LYS 39 10.420 17.229 -7.074 274 HG3 LYS 39 2HG LYS 39 10.402 16.231 -8.531 275 HD2 LYS 39 1HD LYS 39 8.985 15.033 -7.178 276 HD3 LYS 39 2HD LYS 39 10.526 14.262 -6.796 277 HE2 LYS 39 1HE LYS 39 9.467 16.577 -5.202 278 HE3 LYS 39 2HE LYS 39 9.006 14.913 -4.844 279 HZ1 LYS 39 3HZ LYS 39 11.566 14.552 -4.857 280 HZ2 LYS 39 1HZ LYS 39 10.810 15.194 -3.486 281 HZ3 LYS 39 2HZ LYS 39 11.622 16.216 -4.561 282 HA PRO 40 HA PRO 40 16.392 15.987 -10.326 283 HB2 PRO 40 1HB PRO 40 16.216 18.528 -11.265 284 HB3 PRO 40 2HB PRO 40 15.602 17.130 -12.156 285 HG2 PRO 40 1HG PRO 40 14.116 19.093 -10.452 286 HG3 PRO 40 2HG PRO 40 13.666 18.411 -12.026 287 HD2 PRO 40 1HD PRO 40 12.636 17.499 -9.693 288 HD3 PRO 40 2HD PRO 40 12.904 16.444 -11.096 289 H SER 41 H SER 41 18.213 17.490 -9.915 290 HA SER 41 HA SER 41 18.548 18.023 -7.207 291 HB2 SER 41 1HB SER 41 20.616 19.084 -7.799 292 HB3 SER 41 2HB SER 41 20.370 17.757 -8.933 293 HG SER 41 HG SER 41 19.744 20.482 -9.428 294 H GLY 42 H GLY 42 18.348 19.813 -5.927 295 HA2 GLY 42 1HA GLY 42 17.296 22.264 -7.178 296 HA3 GLY 42 2HA GLY 42 16.448 21.540 -5.820 297 HA PRO 43 HA PRO 43 20.287 24.232 -4.604 298 HB2 PRO 43 1HB PRO 43 19.355 26.772 -4.826 299 HB3 PRO 43 2HB PRO 43 20.230 25.953 -6.125 300 HG2 PRO 43 1HG PRO 43 17.282 26.338 -5.776 301 HG3 PRO 43 2HG PRO 43 18.265 26.501 -7.242 302 HD2 PRO 43 1HD PRO 43 16.780 24.298 -6.723 303 HD3 PRO 43 2HD PRO 43 18.313 24.227 -7.616 304 H SER 44 H SER 44 17.044 23.822 -3.864 305 HA SER 44 HA SER 44 16.976 25.474 -1.498 306 HB2 SER 44 1HB SER 44 14.775 24.322 -1.109 307 HB3 SER 44 2HB SER 44 14.895 25.147 -2.663 308 HG SER 44 HG SER 44 15.330 22.372 -2.243 309 H SER 45 H SER 45 16.632 24.614 0.654 310 HA SER 45 HA SER 45 17.440 21.868 1.142 311 HB2 SER 45 1HB SER 45 19.287 22.469 2.626 312 HB3 SER 45 2HB SER 45 19.584 23.097 1.005 313 HG SER 45 HG SER 45 18.251 24.769 2.784 314 H GLY 46 H GLY 46 17.478 21.454 3.597 315 HA2 GLY 46 1HA GLY 46 14.948 22.240 4.635 316 HA3 GLY 46 2HA GLY 46 16.166 21.296 5.480 Start of MODEL 16 1 H1 GLY 1 H GLY 1 15.262 -15.174 -8.875 2 HA2 GLY 1 1HA GLY 1 13.756 -15.422 -7.145 3 HA3 GLY 1 2HA GLY 1 14.606 -14.145 -6.287 4 H SER 2 H SER 2 12.675 -14.380 -9.279 5 HA SER 2 HA SER 2 11.655 -11.767 -9.115 6 HB2 SER 2 1HB SER 2 11.680 -13.439 -11.111 7 HB3 SER 2 2HB SER 2 10.142 -13.994 -10.451 8 HG SER 2 HG SER 2 10.816 -11.443 -11.456 9 H SER 3 H SER 3 10.326 -10.952 -7.652 10 HA SER 3 HA SER 3 8.358 -12.737 -6.380 11 HB2 SER 3 1HB SER 3 10.096 -11.755 -4.867 12 HB3 SER 3 2HB SER 3 9.475 -10.154 -5.266 13 HG SER 3 HG SER 3 8.120 -12.263 -3.943 14 H GLY 4 H GLY 4 6.251 -12.298 -6.600 15 HA2 GLY 4 1HA GLY 4 4.313 -11.085 -6.977 16 HA3 GLY 4 2HA GLY 4 5.287 -9.626 -7.085 17 H SER 5 H SER 5 3.874 -12.275 -8.833 18 HA SER 5 HA SER 5 4.646 -10.969 -11.360 19 HB2 SER 5 1HB SER 5 4.252 -13.890 -10.716 20 HB3 SER 5 2HB SER 5 4.245 -13.285 -12.372 21 HG SER 5 HG SER 5 6.343 -12.802 -12.226 22 H SER 6 H SER 6 2.120 -12.962 -9.839 23 HA SER 6 HA SER 6 0.174 -12.101 -11.812 24 HB2 SER 6 1HB SER 6 0.241 -14.450 -10.927 25 HB3 SER 6 2HB SER 6 -0.274 -13.819 -9.363 26 HG SER 6 HG SER 6 -1.856 -14.586 -11.197 27 H GLY 7 H GLY 7 0.822 -11.675 -8.361 28 HA2 GLY 7 1HA GLY 7 0.271 -9.863 -7.020 29 HA3 GLY 7 2HA GLY 7 -0.586 -9.156 -8.381 30 H THR 8 H THR 8 -0.812 -11.322 -5.652 31 HA THR 8 HA THR 8 -3.732 -11.443 -6.018 32 HB THR 8 HB THR 8 -3.646 -13.360 -4.395 33 HG1 THR 8 HG1 THR 8 -0.949 -13.754 -4.935 34 HG21 THR 8 3HG2 THR 8 -2.394 -13.409 -7.102 35 HG22 THR 8 1HG2 THR 8 -3.907 -14.125 -6.549 36 HG23 THR 8 2HG2 THR 8 -2.370 -14.880 -6.129 37 H ALA 9 H ALA 9 -4.909 -10.209 -4.720 38 HA ALA 9 HA ALA 9 -4.142 -9.843 -1.941 39 HB1 ALA 9 3HB ALA 9 -3.884 -7.744 -3.966 40 HB2 ALA 9 1HB ALA 9 -4.791 -7.264 -2.532 41 HB3 ALA 9 2HB ALA 9 -3.146 -7.882 -2.370 42 H GLU 10 H GLU 10 -5.881 -9.867 -0.657 43 HA GLU 10 HA GLU 10 -8.414 -10.498 -1.505 44 HB2 GLU 10 1HB GLU 10 -7.645 -10.718 0.822 45 HB3 GLU 10 2HB GLU 10 -7.683 -8.969 0.999 46 HG2 GLU 10 1HG GLU 10 -9.634 -10.128 1.988 47 HG3 GLU 10 2HG GLU 10 -10.056 -8.923 0.773 48 H LYS 11 H LYS 11 -6.870 -7.460 -1.643 49 HA LYS 11 HA LYS 11 -9.438 -6.115 -2.166 50 HB2 LYS 11 1HB LYS 11 -6.786 -4.883 -1.395 51 HB3 LYS 11 2HB LYS 11 -8.286 -4.007 -1.668 52 HG2 LYS 11 1HG LYS 11 -7.544 -5.812 0.596 53 HG3 LYS 11 2HG LYS 11 -8.156 -4.157 0.640 54 HD2 LYS 11 1HD LYS 11 -9.725 -6.592 -0.209 55 HD3 LYS 11 2HD LYS 11 -9.855 -5.779 1.352 56 HE2 LYS 11 1HE LYS 11 -10.365 -3.673 -0.065 57 HE3 LYS 11 2HE LYS 11 -10.701 -4.823 -1.358 58 HZ1 LYS 11 3HZ LYS 11 -12.751 -4.532 -0.373 59 HZ2 LYS 11 1HZ LYS 11 -12.122 -4.443 1.195 60 HZ3 LYS 11 2HZ LYS 11 -12.198 -5.933 0.398 61 HA PRO 12 HA PRO 12 -8.348 -5.588 -6.388 62 HB2 PRO 12 1HB PRO 12 -9.620 -3.255 -6.942 63 HB3 PRO 12 2HB PRO 12 -10.476 -4.783 -6.702 64 HG2 PRO 12 1HG PRO 12 -10.048 -2.529 -4.779 65 HG3 PRO 12 2HG PRO 12 -11.516 -3.477 -5.083 66 HD2 PRO 12 1HD PRO 12 -9.892 -3.943 -2.967 67 HD3 PRO 12 2HD PRO 12 -10.802 -5.236 -3.776 68 H PHE 13 H PHE 13 -7.581 -3.126 -4.055 69 HA PHE 13 HA PHE 13 -5.687 -1.880 -5.924 70 HB2 PHE 13 1HB PHE 13 -6.531 -0.852 -3.211 71 HB3 PHE 13 2HB PHE 13 -5.657 0.027 -4.462 72 HD1 PHE 13 HD1 PHE 13 -6.806 0.869 -6.426 73 HD2 PHE 13 HD2 PHE 13 -8.910 -1.187 -3.350 74 HE1 PHE 13 HE1 PHE 13 -8.937 1.703 -7.331 75 HE2 PHE 13 HE2 PHE 13 -11.044 -0.357 -4.250 76 HZ PHE 13 HZ PHE 13 -11.060 1.089 -6.243 77 H ARG 14 H ARG 14 -3.514 -1.710 -5.445 78 HA ARG 14 HA ARG 14 -2.482 -2.749 -2.947 79 HB2 ARG 14 1HB ARG 14 -2.869 -4.716 -4.554 80 HB3 ARG 14 2HB ARG 14 -1.539 -4.050 -5.493 81 HG2 ARG 14 1HG ARG 14 -0.124 -4.202 -3.435 82 HG3 ARG 14 2HG ARG 14 -1.451 -5.076 -2.668 83 HD2 ARG 14 1HD ARG 14 0.200 -5.896 -5.042 84 HD3 ARG 14 2HD ARG 14 0.024 -6.724 -3.495 85 HE ARG 14 HE ARG 14 -2.012 -7.586 -4.203 86 HH11 ARG 14 1HH1 ARG 14 -0.726 -5.346 -6.538 87 HH12 ARG 14 2HH1 ARG 14 -1.825 -5.820 -7.791 88 HH21 ARG 14 1HH2 ARG 14 -3.464 -8.218 -5.845 89 HH22 ARG 14 2HH2 ARG 14 -3.382 -7.452 -7.395 90 H CYS 15 H CYS 15 -0.563 -1.848 -2.416 91 HA CYS 15 HA CYS 15 0.482 0.190 -4.195 92 HB2 CYS 15 1HB CYS 15 0.171 0.747 -1.841 93 HB3 CYS 15 2HB CYS 15 1.240 -0.569 -1.367 94 H ASP 16 H ASP 16 2.048 -0.209 -5.595 95 HA ASP 16 HA ASP 16 3.660 -2.605 -5.363 96 HB2 ASP 16 1HB ASP 16 2.633 -1.618 -7.529 97 HB3 ASP 16 2HB ASP 16 3.999 -0.506 -7.488 98 H THR 17 H THR 17 4.163 -0.842 -3.280 99 HA THR 17 HA THR 17 6.950 -0.108 -3.851 100 HB THR 17 HB THR 17 5.071 1.593 -2.200 101 HG1 THR 17 HG1 THR 17 5.811 1.644 -4.892 102 HG21 THR 17 3HG2 THR 17 7.206 1.933 -1.320 103 HG22 THR 17 1HG2 THR 17 7.052 3.222 -2.514 104 HG23 THR 17 2HG2 THR 17 7.985 1.774 -2.894 105 H CYS 18 H CYS 18 4.587 -0.354 -1.185 106 HA CYS 18 HA CYS 18 6.685 -1.654 0.424 107 HB2 CYS 18 1HB CYS 18 5.406 -0.883 2.409 108 HB3 CYS 18 2HB CYS 18 5.993 0.446 1.415 109 H ASP 19 H ASP 19 4.554 -2.708 -1.515 110 HA ASP 19 HA ASP 19 3.163 -4.501 -1.694 111 HB2 ASP 19 1HB ASP 19 5.007 -5.240 0.538 112 HB3 ASP 19 2HB ASP 19 3.627 -6.283 0.206 113 H LYS 20 H LYS 20 1.838 -2.421 -0.682 114 HA LYS 20 HA LYS 20 0.317 -3.467 1.610 115 HB2 LYS 20 1HB LYS 20 1.042 -0.735 0.712 116 HB3 LYS 20 2HB LYS 20 -0.561 -0.931 1.410 117 HG2 LYS 20 1HG LYS 20 0.660 -2.112 3.343 118 HG3 LYS 20 2HG LYS 20 2.112 -1.354 2.686 119 HD2 LYS 20 1HD LYS 20 1.404 0.769 3.207 120 HD3 LYS 20 2HD LYS 20 -0.305 0.330 3.144 121 HE2 LYS 20 1HE LYS 20 -0.293 -0.548 5.278 122 HE3 LYS 20 2HE LYS 20 1.443 -0.858 5.253 123 HZ1 LYS 20 3HZ LYS 20 1.760 1.593 5.307 124 HZ2 LYS 20 1HZ LYS 20 1.041 0.962 6.703 125 HZ3 LYS 20 2HZ LYS 20 0.096 1.767 5.555 126 H SER 21 H SER 21 -2.049 -2.488 1.525 127 HA SER 21 HA SER 21 -3.195 -2.447 -1.128 128 HB2 SER 21 1HB SER 21 -4.803 -4.346 -0.483 129 HB3 SER 21 2HB SER 21 -3.164 -4.803 -0.949 130 HG SER 21 HG SER 21 -2.791 -5.477 1.018 131 H PHE 22 H PHE 22 -5.254 -1.570 -1.186 132 HA PHE 22 HA PHE 22 -6.412 -0.765 1.395 133 HB2 PHE 22 1HB PHE 22 -6.134 0.993 -1.052 134 HB3 PHE 22 2HB PHE 22 -6.962 1.437 0.437 135 HD1 PHE 22 HD2 PHE 22 -3.635 0.165 -0.677 136 HD2 PHE 22 HD1 PHE 22 -5.809 2.708 1.955 137 HE1 PHE 22 HE2 PHE 22 -1.518 1.023 0.238 138 HE2 PHE 22 HE1 PHE 22 -3.695 3.571 2.873 139 HZ PHE 22 HZ PHE 22 -1.546 2.727 2.015 140 H ARG 23 H ARG 23 -8.707 0.133 1.034 141 HA ARG 23 HA ARG 23 -10.115 -1.787 -0.673 142 HB2 ARG 23 1HB ARG 23 -11.280 -0.013 1.476 143 HB3 ARG 23 2HB ARG 23 -12.047 -1.394 0.703 144 HG2 ARG 23 1HG ARG 23 -10.101 -2.758 1.682 145 HG3 ARG 23 2HG ARG 23 -9.841 -1.355 2.721 146 HD2 ARG 23 1HD ARG 23 -12.595 -2.452 2.494 147 HD3 ARG 23 2HD ARG 23 -11.415 -3.353 3.445 148 HE ARG 23 HE ARG 23 -11.313 -0.680 4.244 149 HH11 ARG 23 1HH1 ARG 23 -13.519 -3.373 4.318 150 HH12 ARG 23 2HH1 ARG 23 -14.312 -2.851 5.767 151 HH21 ARG 23 1HH2 ARG 23 -12.350 0.017 6.152 152 HH22 ARG 23 2HH2 ARG 23 -13.647 -0.922 6.809 153 H GLN 24 H GLN 24 -9.852 1.666 -0.009 154 HA GLN 24 HA GLN 24 -11.620 2.225 -2.286 155 HB2 GLN 24 1HB GLN 24 -10.587 4.218 -0.272 156 HB3 GLN 24 2HB GLN 24 -11.926 4.417 -1.395 157 HG2 GLN 24 1HG GLN 24 -12.073 2.235 0.617 158 HG3 GLN 24 2HG GLN 24 -12.327 3.898 1.147 159 HE21 GLN 24 1HE2 GLN 24 -13.812 5.127 -0.491 160 HE22 GLN 24 2HE2 GLN 24 -15.278 4.301 -0.883 161 H ARG 25 H ARG 25 -10.857 3.081 -4.121 162 HA ARG 25 HA ARG 25 -8.172 3.062 -4.783 163 HB2 ARG 25 1HB ARG 25 -10.129 3.130 -6.369 164 HB3 ARG 25 2HB ARG 25 -10.241 4.857 -6.055 165 HG2 ARG 25 1HG ARG 25 -7.945 5.134 -6.903 166 HG3 ARG 25 2HG ARG 25 -7.903 3.410 -7.281 167 HD2 ARG 25 1HD ARG 25 -8.458 4.487 -9.301 168 HD3 ARG 25 2HD ARG 25 -9.970 3.816 -8.692 169 HE ARG 25 HE ARG 25 -9.265 6.622 -8.913 170 HH11 ARG 25 1HH1 ARG 25 -11.451 4.233 -7.635 171 HH12 ARG 25 2HH1 ARG 25 -12.743 5.359 -7.386 172 HH21 ARG 25 1HH2 ARG 25 -10.959 8.114 -8.590 173 HH22 ARG 25 2HH2 ARG 25 -12.463 7.566 -7.931 174 H SER 26 H SER 26 -10.110 5.641 -3.407 175 HA SER 26 HA SER 26 -8.217 7.722 -3.797 176 HB2 SER 26 1HB SER 26 -10.573 8.220 -3.387 177 HB3 SER 26 2HB SER 26 -10.472 7.480 -1.790 178 HG SER 26 HG SER 26 -8.606 9.185 -1.676 179 H ALA 27 H ALA 27 -8.488 5.156 -1.524 180 HA ALA 27 HA ALA 27 -6.858 6.385 0.509 181 HB1 ALA 27 3HB ALA 27 -7.515 3.460 0.254 182 HB2 ALA 27 1HB ALA 27 -7.072 4.355 1.708 183 HB3 ALA 27 2HB ALA 27 -8.631 4.644 0.935 184 H LEU 28 H LEU 28 -6.385 4.197 -2.193 185 HA LEU 28 HA LEU 28 -3.619 3.691 -1.473 186 HB2 LEU 28 1HB LEU 28 -4.508 1.799 -2.413 187 HB3 LEU 28 2HB LEU 28 -5.502 2.704 -3.553 188 HG LEU 28 HG LEU 28 -3.095 3.280 -4.557 189 HD11 LEU 28 1HD1 LEU 28 -2.568 0.453 -3.882 190 HD12 LEU 28 2HD1 LEU 28 -2.274 1.640 -2.612 191 HD13 LEU 28 3HD1 LEU 28 -1.447 1.785 -4.162 192 HD21 LEU 28 3HD2 LEU 28 -3.967 0.602 -5.361 193 HD22 LEU 28 1HD2 LEU 28 -3.822 2.084 -6.307 194 HD23 LEU 28 2HD2 LEU 28 -5.257 1.805 -5.320 195 H ASN 29 H ASN 29 -5.384 5.240 -4.147 196 HA ASN 29 HA ASN 29 -3.264 6.109 -5.671 197 HB2 ASN 29 1HB ASN 29 -6.024 7.135 -5.192 198 HB3 ASN 29 2HB ASN 29 -4.899 8.170 -6.066 199 HD21 ASN 29 1HD2 ASN 29 -7.060 7.419 -7.390 200 HD22 ASN 29 2HD2 ASN 29 -6.696 6.211 -8.570 201 H SER 30 H SER 30 -4.373 7.306 -2.604 202 HA SER 30 HA SER 30 -2.733 9.704 -2.771 203 HB2 SER 30 1HB SER 30 -4.871 9.975 -1.693 204 HB3 SER 30 2HB SER 30 -4.547 8.628 -0.602 205 HG SER 30 HG SER 30 -2.670 10.654 -0.570 206 H HIS 31 H HIS 31 -2.797 6.608 -1.092 207 HA HIS 31 HA HIS 31 -0.688 7.070 0.698 208 HB2 HIS 31 1HB HIS 31 -1.996 5.163 1.125 209 HB3 HIS 31 2HB HIS 31 -1.837 4.575 -0.528 210 HD1 HIS 31 HD1 HIS 31 -0.007 4.724 2.737 211 HD2 HIS 31 HD2 HIS 31 0.446 3.065 -1.044 212 HE1 HIS 31 HE1 HIS 31 1.906 3.103 2.939 213 H ARG 32 H ARG 32 -0.717 5.996 -2.655 214 HA ARG 32 HA ARG 32 1.961 5.204 -2.866 215 HB2 ARG 32 1HB ARG 32 0.189 6.431 -4.988 216 HB3 ARG 32 2HB ARG 32 1.683 5.552 -5.286 217 HG2 ARG 32 1HG ARG 32 0.454 3.651 -3.957 218 HG3 ARG 32 2HG ARG 32 -0.986 4.535 -4.465 219 HD2 ARG 32 1HD ARG 32 -0.446 2.787 -6.065 220 HD3 ARG 32 2HD ARG 32 -0.251 4.380 -6.796 221 HE ARG 32 HE ARG 32 1.871 2.495 -6.120 222 HH11 ARG 32 1HH1 ARG 32 0.931 5.620 -7.332 223 HH12 ARG 32 2HH1 ARG 32 2.464 5.938 -8.075 224 HH21 ARG 32 1HH2 ARG 32 3.893 2.901 -7.094 225 HH22 ARG 32 2HH2 ARG 32 4.148 4.390 -7.939 226 H MET 33 H MET 33 0.514 8.342 -2.710 227 HA MET 33 HA MET 33 2.550 9.856 -3.933 228 HB2 MET 33 1HB MET 33 0.686 10.689 -1.703 229 HB3 MET 33 2HB MET 33 1.583 11.770 -2.761 230 HG2 MET 33 1HG MET 33 0.307 10.557 -4.662 231 HG3 MET 33 2HG MET 33 -0.788 10.066 -3.371 232 HE1 MET 33 3HE MET 33 -1.663 12.673 -6.020 233 HE2 MET 33 1HE MET 33 -2.046 11.073 -5.384 234 HE3 MET 33 2HE MET 33 -3.004 12.469 -4.892 235 H ILE 34 H ILE 34 2.022 8.909 -0.554 236 HA ILE 34 HA ILE 34 4.041 10.297 0.689 237 HB ILE 34 HB ILE 34 3.865 8.843 2.475 238 HG12 ILE 34 1HG1 ILE 34 3.548 6.710 0.387 239 HG13 ILE 34 2HG1 ILE 34 4.721 6.816 1.696 240 HG21 ILE 34 1HG2 ILE 34 1.625 9.710 1.546 241 HG22 ILE 34 2HG2 ILE 34 1.339 8.033 1.085 242 HG23 ILE 34 3HG2 ILE 34 1.592 8.450 2.780 243 HD11 ILE 34 3HD1 ILE 34 3.053 6.240 3.312 244 HD12 ILE 34 1HD1 ILE 34 1.784 6.308 2.089 245 HD13 ILE 34 2HD1 ILE 34 3.020 5.052 2.010 246 H HIS 35 H HIS 35 4.298 7.600 -1.475 247 HA HIS 35 HA HIS 35 7.061 7.054 -0.789 248 HB2 HIS 35 1HB HIS 35 5.322 5.955 -3.007 249 HB3 HIS 35 2HB HIS 35 6.938 5.381 -2.605 250 HD1 HIS 35 HD1 HIS 35 6.820 5.039 0.371 251 HD2 HIS 35 HD2 HIS 35 3.659 4.018 -2.124 252 HE1 HIS 35 HE1 HIS 35 5.466 3.354 1.656 253 H THR 36 H THR 36 5.331 8.132 -3.716 254 HA THR 36 HA THR 36 7.280 8.645 -5.469 255 HB THR 36 HB THR 36 6.023 10.451 -6.396 256 HG1 THR 36 HG1 THR 36 5.192 10.791 -3.741 257 HG21 THR 36 3HG2 THR 36 4.971 8.093 -6.199 258 HG22 THR 36 1HG2 THR 36 3.946 9.439 -6.695 259 HG23 THR 36 2HG2 THR 36 3.885 8.849 -5.033 260 H GLY 37 H GLY 37 8.894 10.121 -5.862 261 HA2 GLY 37 1HA GLY 37 9.831 11.588 -3.516 262 HA3 GLY 37 2HA GLY 37 10.760 11.246 -4.968 263 H GLU 38 H GLU 38 11.404 13.494 -4.862 264 HA GLU 38 HA GLU 38 9.333 15.290 -5.946 265 HB2 GLU 38 1HB GLU 38 11.649 15.946 -4.121 266 HB3 GLU 38 2HB GLU 38 10.666 17.158 -4.930 267 HG2 GLU 38 1HG GLU 38 8.709 16.447 -3.737 268 HG3 GLU 38 2HG GLU 38 9.588 15.097 -3.023 269 H LYS 39 H LYS 39 9.958 14.552 -8.062 270 HA LYS 39 HA LYS 39 12.636 15.300 -8.961 271 HB2 LYS 39 1HB LYS 39 11.247 13.114 -9.555 272 HB3 LYS 39 2HB LYS 39 10.597 14.157 -10.813 273 HG2 LYS 39 1HG LYS 39 12.634 14.360 -11.884 274 HG3 LYS 39 2HG LYS 39 13.551 13.927 -10.439 275 HD2 LYS 39 1HD LYS 39 11.696 11.906 -11.592 276 HD3 LYS 39 2HD LYS 39 13.215 12.223 -12.435 277 HE2 LYS 39 1HE LYS 39 14.360 11.875 -10.200 278 HE3 LYS 39 2HE LYS 39 12.818 11.256 -9.612 279 HZ1 LYS 39 3HZ LYS 39 12.910 9.636 -11.492 280 HZ2 LYS 39 1HZ LYS 39 14.099 9.412 -10.310 281 HZ3 LYS 39 2HZ LYS 39 14.499 10.139 -11.784 282 HA PRO 40 HA PRO 40 11.271 19.140 -10.644 283 HB2 PRO 40 1HB PRO 40 13.307 19.553 -12.392 284 HB3 PRO 40 2HB PRO 40 13.487 19.748 -10.644 285 HG2 PRO 40 1HG PRO 40 14.256 17.434 -12.381 286 HG3 PRO 40 2HG PRO 40 15.159 18.184 -11.051 287 HD2 PRO 40 1HD PRO 40 13.760 15.886 -10.748 288 HD3 PRO 40 2HD PRO 40 13.955 17.065 -9.435 289 H SER 41 H SER 41 11.187 16.236 -12.237 290 HA SER 41 HA SER 41 11.060 16.490 -14.883 291 HB2 SER 41 1HB SER 41 10.222 14.546 -13.413 292 HB3 SER 41 2HB SER 41 8.652 15.347 -13.476 293 HG SER 41 HG SER 41 9.996 13.941 -15.421 294 H GLY 42 H GLY 42 8.225 17.345 -12.881 295 HA2 GLY 42 1HA GLY 42 7.691 19.597 -14.667 296 HA3 GLY 42 2HA GLY 42 6.451 18.356 -14.552 297 HA PRO 43 HA PRO 43 6.585 21.434 -10.807 298 HB2 PRO 43 1HB PRO 43 5.464 23.698 -11.800 299 HB3 PRO 43 2HB PRO 43 7.210 23.429 -11.760 300 HG2 PRO 43 1HG PRO 43 5.293 23.093 -14.035 301 HG3 PRO 43 2HG PRO 43 6.912 23.817 -14.033 302 HD2 PRO 43 1HD PRO 43 6.445 21.295 -14.901 303 HD3 PRO 43 2HD PRO 43 7.966 21.769 -14.116 304 H SER 44 H SER 44 4.976 20.008 -10.084 305 HA SER 44 HA SER 44 2.233 20.622 -10.958 306 HB2 SER 44 1HB SER 44 1.610 18.399 -10.155 307 HB3 SER 44 2HB SER 44 2.940 18.277 -11.306 308 HG SER 44 HG SER 44 3.484 18.470 -8.556 309 H SER 45 H SER 45 3.462 22.352 -9.170 310 HA SER 45 HA SER 45 1.691 22.077 -6.888 311 HB2 SER 45 1HB SER 45 3.577 22.558 -5.281 312 HB3 SER 45 2HB SER 45 3.611 20.947 -5.998 313 HG SER 45 HG SER 45 5.215 21.643 -7.405 314 H GLY 46 H GLY 46 1.718 24.069 -5.517 315 HA2 GLY 46 1HA GLY 46 2.410 26.427 -7.160 316 HA3 GLY 46 2HA GLY 46 0.925 26.319 -6.226 Start of MODEL 17 1 H1 GLY 1 H GLY 1 15.604 -18.885 -3.521 2 HA2 GLY 1 1HA GLY 1 13.489 -17.593 -3.814 3 HA3 GLY 1 2HA GLY 1 14.444 -16.470 -4.771 4 H SER 2 H SER 2 13.488 -19.891 -4.637 5 HA SER 2 HA SER 2 14.165 -20.524 -7.284 6 HB2 SER 2 1HB SER 2 12.078 -21.730 -5.454 7 HB3 SER 2 2HB SER 2 12.566 -22.433 -6.996 8 HG SER 2 HG SER 2 14.803 -22.111 -5.873 9 H SER 3 H SER 3 10.937 -19.827 -5.931 10 HA SER 3 HA SER 3 10.210 -18.439 -8.380 11 HB2 SER 3 1HB SER 3 8.079 -19.787 -8.560 12 HB3 SER 3 2HB SER 3 9.549 -20.661 -8.989 13 HG SER 3 HG SER 3 8.072 -20.824 -6.576 14 H GLY 4 H GLY 4 8.090 -17.347 -8.188 15 HA2 GLY 4 1HA GLY 4 6.575 -17.162 -5.874 16 HA3 GLY 4 2HA GLY 4 7.889 -16.010 -5.687 17 H SER 5 H SER 5 4.850 -16.626 -7.102 18 HA SER 5 HA SER 5 4.990 -14.056 -8.537 19 HB2 SER 5 1HB SER 5 4.785 -15.871 -10.144 20 HB3 SER 5 2HB SER 5 3.402 -16.528 -9.270 21 HG SER 5 HG SER 5 3.392 -14.713 -11.187 22 H SER 6 H SER 6 3.575 -12.543 -7.941 23 HA SER 6 HA SER 6 2.116 -12.543 -5.661 24 HB2 SER 6 1HB SER 6 2.516 -10.553 -7.102 25 HB3 SER 6 2HB SER 6 1.261 -11.129 -8.198 26 HG SER 6 HG SER 6 0.119 -9.864 -6.906 27 H GLY 7 H GLY 7 0.594 -13.875 -4.948 28 HA2 GLY 7 1HA GLY 7 -1.001 -15.472 -6.708 29 HA3 GLY 7 2HA GLY 7 -1.135 -15.402 -4.957 30 H THR 8 H THR 8 -2.528 -13.901 -3.999 31 HA THR 8 HA THR 8 -4.219 -12.314 -5.786 32 HB THR 8 HB THR 8 -6.268 -13.088 -4.623 33 HG1 THR 8 HG1 THR 8 -4.469 -14.985 -3.485 34 HG21 THR 8 3HG2 THR 8 -5.712 -15.659 -5.534 35 HG22 THR 8 1HG2 THR 8 -4.656 -14.613 -6.483 36 HG23 THR 8 2HG2 THR 8 -6.397 -14.333 -6.473 37 H ALA 9 H ALA 9 -5.398 -10.631 -4.720 38 HA ALA 9 HA ALA 9 -4.385 -9.988 -2.028 39 HB1 ALA 9 3HB ALA 9 -3.415 -8.174 -2.858 40 HB2 ALA 9 1HB ALA 9 -4.056 -8.523 -4.464 41 HB3 ALA 9 2HB ALA 9 -5.006 -7.571 -3.322 42 H GLU 10 H GLU 10 -5.981 -9.973 -0.598 43 HA GLU 10 HA GLU 10 -8.601 -10.330 -0.860 44 HB2 GLU 10 1HB GLU 10 -7.220 -9.830 1.270 45 HB3 GLU 10 2HB GLU 10 -7.701 -8.159 1.013 46 HG2 GLU 10 1HG GLU 10 -9.287 -8.947 2.497 47 HG3 GLU 10 2HG GLU 10 -10.098 -9.074 0.937 48 H LYS 11 H LYS 11 -6.977 -7.258 -1.423 49 HA LYS 11 HA LYS 11 -9.513 -6.176 -2.467 50 HB2 LYS 11 1HB LYS 11 -7.167 -4.684 -1.277 51 HB3 LYS 11 2HB LYS 11 -8.589 -3.928 -1.984 52 HG2 LYS 11 1HG LYS 11 -8.371 -5.513 0.548 53 HG3 LYS 11 2HG LYS 11 -8.970 -3.869 0.314 54 HD2 LYS 11 1HD LYS 11 -10.301 -6.425 -0.580 55 HD3 LYS 11 2HD LYS 11 -10.831 -5.355 0.719 56 HE2 LYS 11 1HE LYS 11 -10.772 -3.581 -1.266 57 HE3 LYS 11 2HE LYS 11 -11.044 -5.036 -2.223 58 HZ1 LYS 11 3HZ LYS 11 -13.031 -3.672 -1.234 59 HZ2 LYS 11 1HZ LYS 11 -12.714 -4.603 0.143 60 HZ3 LYS 11 2HZ LYS 11 -13.094 -5.360 -1.320 61 HA PRO 12 HA PRO 12 -7.693 -5.802 -6.445 62 HB2 PRO 12 1HB PRO 12 -8.924 -3.568 -7.376 63 HB3 PRO 12 2HB PRO 12 -9.755 -5.117 -7.192 64 HG2 PRO 12 1HG PRO 12 -9.765 -2.735 -5.379 65 HG3 PRO 12 2HG PRO 12 -11.118 -3.766 -5.878 66 HD2 PRO 12 1HD PRO 12 -9.894 -4.029 -3.477 67 HD3 PRO 12 2HD PRO 12 -10.595 -5.409 -4.348 68 H PHE 13 H PHE 13 -7.602 -3.004 -4.319 69 HA PHE 13 HA PHE 13 -5.539 -1.696 -5.878 70 HB2 PHE 13 1HB PHE 13 -6.464 -0.904 -3.120 71 HB3 PHE 13 2HB PHE 13 -5.729 0.113 -4.355 72 HD1 PHE 13 HD2 PHE 13 -8.802 -1.558 -3.272 73 HD2 PHE 13 HD1 PHE 13 -7.028 1.017 -6.160 74 HE1 PHE 13 HE2 PHE 13 -11.040 -0.904 -4.059 75 HE2 PHE 13 HE1 PHE 13 -9.263 1.676 -6.951 76 HZ PHE 13 HZ PHE 13 -11.273 0.713 -5.901 77 H ARG 14 H ARG 14 -3.399 -1.705 -5.476 78 HA ARG 14 HA ARG 14 -2.368 -2.681 -2.945 79 HB2 ARG 14 1HB ARG 14 -2.731 -4.710 -4.373 80 HB3 ARG 14 2HB ARG 14 -1.579 -4.043 -5.523 81 HG2 ARG 14 1HG ARG 14 0.128 -4.042 -3.713 82 HG3 ARG 14 2HG ARG 14 -1.036 -4.880 -2.685 83 HD2 ARG 14 1HD ARG 14 -1.165 -6.678 -4.391 84 HD3 ARG 14 2HD ARG 14 0.104 -5.859 -5.299 85 HE ARG 14 HE ARG 14 0.927 -6.337 -2.630 86 HH11 ARG 14 1HH1 ARG 14 0.410 -7.934 -5.680 87 HH12 ARG 14 2HH1 ARG 14 1.578 -9.176 -5.376 88 HH21 ARG 14 1HH2 ARG 14 2.468 -7.967 -2.218 89 HH22 ARG 14 2HH2 ARG 14 2.748 -9.194 -3.406 90 H CYS 15 H CYS 15 -0.410 -1.828 -2.442 91 HA CYS 15 HA CYS 15 0.638 0.187 -4.258 92 HB2 CYS 15 1HB CYS 15 0.317 0.822 -1.932 93 HB3 CYS 15 2HB CYS 15 1.352 -0.500 -1.400 94 H ASP 16 H ASP 16 2.145 -0.340 -5.683 95 HA ASP 16 HA ASP 16 3.757 -2.711 -5.361 96 HB2 ASP 16 1HB ASP 16 2.791 -1.898 -7.561 97 HB3 ASP 16 2HB ASP 16 4.005 -0.622 -7.526 98 H THR 17 H THR 17 4.266 -0.913 -3.312 99 HA THR 17 HA THR 17 7.066 -0.223 -3.875 100 HB THR 17 HB THR 17 5.272 1.533 -2.199 101 HG1 THR 17 HG1 THR 17 4.584 2.306 -4.038 102 HG21 THR 17 3HG2 THR 17 7.124 3.156 -2.507 103 HG22 THR 17 1HG2 THR 17 8.048 1.900 -3.329 104 HG23 THR 17 2HG2 THR 17 7.616 1.707 -1.630 105 H CYS 18 H CYS 18 4.657 -0.459 -1.255 106 HA CYS 18 HA CYS 18 6.735 -1.729 0.406 107 HB2 CYS 18 1HB CYS 18 5.488 -0.896 2.369 108 HB3 CYS 18 2HB CYS 18 6.043 0.415 1.333 109 H ASP 19 H ASP 19 4.516 -2.722 -1.522 110 HA ASP 19 HA ASP 19 3.118 -4.510 -1.682 111 HB2 ASP 19 1HB ASP 19 4.966 -5.260 0.539 112 HB3 ASP 19 2HB ASP 19 3.554 -6.273 0.253 113 H LYS 20 H LYS 20 1.759 -2.465 -0.779 114 HA LYS 20 HA LYS 20 0.252 -3.429 1.562 115 HB2 LYS 20 1HB LYS 20 1.017 -0.722 0.626 116 HB3 LYS 20 2HB LYS 20 -0.595 -0.883 1.312 117 HG2 LYS 20 1HG LYS 20 0.584 -2.044 3.278 118 HG3 LYS 20 2HG LYS 20 2.059 -1.334 2.620 119 HD2 LYS 20 1HD LYS 20 0.991 0.895 2.736 120 HD3 LYS 20 2HD LYS 20 -0.422 0.150 3.487 121 HE2 LYS 20 1HE LYS 20 0.907 -0.561 5.374 122 HE3 LYS 20 2HE LYS 20 2.377 0.035 4.604 123 HZ1 LYS 20 3HZ LYS 20 0.617 1.431 6.257 124 HZ2 LYS 20 1HZ LYS 20 0.502 2.121 4.716 125 HZ3 LYS 20 2HZ LYS 20 2.005 2.015 5.485 126 H SER 21 H SER 21 -2.106 -2.492 1.475 127 HA SER 21 HA SER 21 -3.250 -2.453 -1.184 128 HB2 SER 21 1HB SER 21 -4.876 -4.333 -0.487 129 HB3 SER 21 2HB SER 21 -3.255 -4.799 -1.000 130 HG SER 21 HG SER 21 -2.677 -5.003 1.175 131 H PHE 22 H PHE 22 -5.297 -1.556 -1.254 132 HA PHE 22 HA PHE 22 -6.464 -0.729 1.316 133 HB2 PHE 22 1HB PHE 22 -6.121 1.020 -1.129 134 HB3 PHE 22 2HB PHE 22 -6.990 1.476 0.332 135 HD1 PHE 22 HD2 PHE 22 -3.639 0.202 -0.698 136 HD2 PHE 22 HD1 PHE 22 -5.877 2.720 1.904 137 HE1 PHE 22 HE2 PHE 22 -1.545 1.049 0.278 138 HE2 PHE 22 HE1 PHE 22 -3.786 3.572 2.884 139 HZ PHE 22 HZ PHE 22 -1.617 2.735 2.071 140 H ARG 23 H ARG 23 -8.750 0.088 1.025 141 HA ARG 23 HA ARG 23 -10.152 -1.751 -0.771 142 HB2 ARG 23 1HB ARG 23 -10.550 -1.384 1.839 143 HB3 ARG 23 2HB ARG 23 -11.611 -0.115 1.242 144 HG2 ARG 23 1HG ARG 23 -12.693 -1.873 -0.210 145 HG3 ARG 23 2HG ARG 23 -11.780 -3.066 0.715 146 HD2 ARG 23 1HD ARG 23 -12.991 -2.717 2.624 147 HD3 ARG 23 2HD ARG 23 -13.363 -1.044 2.211 148 HE ARG 23 HE ARG 23 -14.759 -2.392 0.365 149 HH11 ARG 23 1HH1 ARG 23 -14.502 -2.777 3.815 150 HH12 ARG 23 2HH1 ARG 23 -16.109 -3.398 3.997 151 HH21 ARG 23 1HH2 ARG 23 -16.876 -3.208 0.591 152 HH22 ARG 23 2HH2 ARG 23 -17.458 -3.644 2.162 153 H GLN 24 H GLN 24 -9.873 1.663 0.033 154 HA GLN 24 HA GLN 24 -11.738 2.338 -2.126 155 HB2 GLN 24 1HB GLN 24 -10.493 4.252 -0.158 156 HB3 GLN 24 2HB GLN 24 -11.912 4.509 -1.164 157 HG2 GLN 24 1HG GLN 24 -13.263 3.197 0.172 158 HG3 GLN 24 2HG GLN 24 -11.899 2.331 0.877 159 HE21 GLN 24 1HE2 GLN 24 -14.251 4.254 1.733 160 HE22 GLN 24 2HE2 GLN 24 -13.490 5.225 2.943 161 H ARG 25 H ARG 25 -11.059 3.150 -4.006 162 HA ARG 25 HA ARG 25 -8.406 3.098 -4.808 163 HB2 ARG 25 1HB ARG 25 -10.448 3.143 -6.289 164 HB3 ARG 25 2HB ARG 25 -10.530 4.877 -6.006 165 HG2 ARG 25 1HG ARG 25 -8.315 5.146 -7.002 166 HG3 ARG 25 2HG ARG 25 -8.237 3.406 -7.289 167 HD2 ARG 25 1HD ARG 25 -8.895 4.622 -9.307 168 HD3 ARG 25 2HD ARG 25 -10.176 3.546 -8.753 169 HE ARG 25 HE ARG 25 -10.504 6.173 -7.714 170 HH11 ARG 25 1HH1 ARG 25 -10.927 4.244 -10.582 171 HH12 ARG 25 2HH1 ARG 25 -12.210 5.224 -11.209 172 HH21 ARG 25 1HH2 ARG 25 -12.193 7.471 -8.530 173 HH22 ARG 25 2HH2 ARG 25 -12.929 7.060 -10.042 174 H SER 26 H SER 26 -10.250 5.672 -3.324 175 HA SER 26 HA SER 26 -8.312 7.720 -3.840 176 HB2 SER 26 1HB SER 26 -10.582 8.420 -3.529 177 HB3 SER 26 2HB SER 26 -10.695 7.577 -1.985 178 HG SER 26 HG SER 26 -8.701 9.505 -2.249 179 H ALA 27 H ALA 27 -8.574 5.184 -1.593 180 HA ALA 27 HA ALA 27 -7.031 6.459 0.494 181 HB1 ALA 27 3HB ALA 27 -7.918 3.596 0.158 182 HB2 ALA 27 1HB ALA 27 -7.118 4.252 1.586 183 HB3 ALA 27 2HB ALA 27 -8.715 4.839 1.122 184 H LEU 28 H LEU 28 -6.489 4.224 -2.160 185 HA LEU 28 HA LEU 28 -3.744 3.726 -1.371 186 HB2 LEU 28 1HB LEU 28 -4.633 1.840 -2.336 187 HB3 LEU 28 2HB LEU 28 -5.560 2.756 -3.523 188 HG LEU 28 HG LEU 28 -3.111 3.297 -4.426 189 HD11 LEU 28 1HD1 LEU 28 -1.589 1.509 -4.171 190 HD12 LEU 28 2HD1 LEU 28 -2.785 0.509 -3.347 191 HD13 LEU 28 3HD1 LEU 28 -2.124 1.934 -2.544 192 HD21 LEU 28 3HD2 LEU 28 -3.750 2.066 -6.191 193 HD22 LEU 28 1HD2 LEU 28 -5.241 1.839 -5.276 194 HD23 LEU 28 2HD2 LEU 28 -3.978 0.609 -5.222 195 H ASN 29 H ASN 29 -5.441 5.323 -4.057 196 HA ASN 29 HA ASN 29 -3.294 6.169 -5.554 197 HB2 ASN 29 1HB ASN 29 -6.024 7.281 -5.063 198 HB3 ASN 29 2HB ASN 29 -4.865 8.262 -5.954 199 HD21 ASN 29 1HD2 ASN 29 -7.018 7.638 -7.299 200 HD22 ASN 29 2HD2 ASN 29 -6.729 6.385 -8.453 201 H SER 30 H SER 30 -4.389 7.344 -2.474 202 HA SER 30 HA SER 30 -2.726 9.722 -2.594 203 HB2 SER 30 1HB SER 30 -4.751 8.631 -0.694 204 HB3 SER 30 2HB SER 30 -3.546 9.753 -0.063 205 HG SER 30 HG SER 30 -4.877 11.201 -0.815 206 H HIS 31 H HIS 31 -2.795 6.602 -0.942 207 HA HIS 31 HA HIS 31 -0.635 7.007 0.792 208 HB2 HIS 31 1HB HIS 31 -1.971 5.106 1.199 209 HB3 HIS 31 2HB HIS 31 -1.815 4.535 -0.460 210 HD1 HIS 31 HD1 HIS 31 0.061 4.694 2.790 211 HD2 HIS 31 HD2 HIS 31 0.421 2.975 -0.975 212 HE1 HIS 31 HE1 HIS 31 1.958 3.053 2.979 213 H ARG 32 H ARG 32 -0.746 5.942 -2.569 214 HA ARG 32 HA ARG 32 1.936 5.169 -2.835 215 HB2 ARG 32 1HB ARG 32 0.096 6.348 -4.925 216 HB3 ARG 32 2HB ARG 32 1.595 5.488 -5.252 217 HG2 ARG 32 1HG ARG 32 0.417 3.589 -3.860 218 HG3 ARG 32 2HG ARG 32 -1.041 4.443 -4.368 219 HD2 ARG 32 1HD ARG 32 -0.612 2.759 -5.991 220 HD3 ARG 32 2HD ARG 32 -0.187 4.306 -6.721 221 HE ARG 32 HE ARG 32 2.004 2.885 -5.478 222 HH11 ARG 32 1HH1 ARG 32 0.208 3.493 -8.398 223 HH12 ARG 32 2HH1 ARG 32 1.494 2.997 -9.447 224 HH21 ARG 32 1HH2 ARG 32 3.705 2.230 -6.850 225 HH22 ARG 32 2HH2 ARG 32 3.482 2.278 -8.566 226 H MET 33 H MET 33 0.455 8.291 -2.683 227 HA MET 33 HA MET 33 2.436 9.817 -3.975 228 HB2 MET 33 1HB MET 33 0.573 10.599 -1.726 229 HB3 MET 33 2HB MET 33 1.502 11.725 -2.706 230 HG2 MET 33 1HG MET 33 0.257 10.513 -4.680 231 HG3 MET 33 2HG MET 33 -0.901 10.129 -3.408 232 HE1 MET 33 3HE MET 33 -3.113 11.759 -3.689 233 HE2 MET 33 1HE MET 33 -2.253 11.613 -2.156 234 HE3 MET 33 2HE MET 33 -2.791 13.196 -2.717 235 H ILE 34 H ILE 34 2.054 8.821 -0.599 236 HA ILE 34 HA ILE 34 4.100 10.267 0.569 237 HB ILE 34 HB ILE 34 3.985 8.839 2.382 238 HG12 ILE 34 1HG1 ILE 34 3.560 6.673 0.345 239 HG13 ILE 34 2HG1 ILE 34 4.808 6.799 1.580 240 HG21 ILE 34 1HG2 ILE 34 1.406 8.066 1.055 241 HG22 ILE 34 2HG2 ILE 34 1.712 8.405 2.757 242 HG23 ILE 34 3HG2 ILE 34 1.727 9.718 1.580 243 HD11 ILE 34 3HD1 ILE 34 1.897 6.310 2.153 244 HD12 ILE 34 1HD1 ILE 34 3.121 5.048 2.024 245 HD13 ILE 34 2HD1 ILE 34 3.234 6.259 3.301 246 H HIS 35 H HIS 35 4.274 7.470 -1.498 247 HA HIS 35 HA HIS 35 7.054 6.945 -0.912 248 HB2 HIS 35 1HB HIS 35 5.246 5.831 -3.067 249 HB3 HIS 35 2HB HIS 35 6.868 5.251 -2.703 250 HD1 HIS 35 HD1 HIS 35 6.814 4.971 0.292 251 HD2 HIS 35 HD2 HIS 35 3.613 3.892 -2.127 252 HE1 HIS 35 HE1 HIS 35 5.490 3.305 1.632 253 H THR 36 H THR 36 5.184 8.293 -3.607 254 HA THR 36 HA THR 36 7.071 8.681 -5.519 255 HB THR 36 HB THR 36 5.855 10.633 -6.285 256 HG1 THR 36 HG1 THR 36 4.274 11.592 -4.949 257 HG21 THR 36 3HG2 THR 36 4.484 8.980 -6.967 258 HG22 THR 36 1HG2 THR 36 3.409 9.581 -5.705 259 HG23 THR 36 2HG2 THR 36 4.467 8.207 -5.382 260 H GLY 37 H GLY 37 6.596 10.671 -2.625 261 HA2 GLY 37 1HA GLY 37 8.152 11.954 -1.488 262 HA3 GLY 37 2HA GLY 37 9.357 11.484 -2.678 263 H GLU 38 H GLU 38 10.103 13.679 -2.626 264 HA GLU 38 HA GLU 38 8.615 15.360 -4.492 265 HB2 GLU 38 1HB GLU 38 8.862 17.350 -3.115 266 HB3 GLU 38 2HB GLU 38 7.947 16.124 -2.250 267 HG2 GLU 38 1HG GLU 38 9.666 15.696 -0.766 268 HG3 GLU 38 2HG GLU 38 10.894 16.361 -1.841 269 H LYS 39 H LYS 39 9.917 17.027 -5.477 270 HA LYS 39 HA LYS 39 12.687 17.302 -5.006 271 HB2 LYS 39 1HB LYS 39 13.601 16.149 -6.931 272 HB3 LYS 39 2HB LYS 39 12.722 15.005 -5.925 273 HG2 LYS 39 1HG LYS 39 10.766 15.315 -7.481 274 HG3 LYS 39 2HG LYS 39 11.862 16.201 -8.544 275 HD2 LYS 39 1HD LYS 39 13.293 14.257 -8.743 276 HD3 LYS 39 2HD LYS 39 12.293 13.370 -7.590 277 HE2 LYS 39 1HE LYS 39 11.243 14.468 -10.189 278 HE3 LYS 39 2HE LYS 39 11.900 12.841 -10.025 279 HZ1 LYS 39 3HZ LYS 39 9.549 12.722 -9.795 280 HZ2 LYS 39 1HZ LYS 39 9.526 13.959 -8.640 281 HZ3 LYS 39 2HZ LYS 39 10.215 12.461 -8.262 282 HA PRO 40 HA PRO 40 11.909 20.878 -7.442 283 HB2 PRO 40 1HB PRO 40 14.448 21.532 -8.143 284 HB3 PRO 40 2HB PRO 40 13.815 21.758 -6.508 285 HG2 PRO 40 1HG PRO 40 15.522 19.549 -7.589 286 HG3 PRO 40 2HG PRO 40 15.655 20.414 -6.047 287 HD2 PRO 40 1HD PRO 40 14.528 17.960 -6.248 288 HD3 PRO 40 2HD PRO 40 13.992 19.163 -5.057 289 H SER 41 H SER 41 14.159 18.506 -8.838 290 HA SER 41 HA SER 41 13.927 19.414 -11.506 291 HB2 SER 41 1HB SER 41 15.075 17.397 -12.127 292 HB3 SER 41 2HB SER 41 15.762 17.943 -10.598 293 HG SER 41 HG SER 41 15.310 15.697 -10.592 294 H GLY 42 H GLY 42 12.130 19.411 -12.677 295 HA2 GLY 42 1HA GLY 42 10.705 17.597 -13.829 296 HA3 GLY 42 2HA GLY 42 10.129 17.305 -12.195 297 HA PRO 43 HA PRO 43 7.724 20.743 -14.459 298 HB2 PRO 43 1HB PRO 43 5.497 19.329 -15.098 299 HB3 PRO 43 2HB PRO 43 6.885 19.477 -16.183 300 HG2 PRO 43 1HG PRO 43 6.146 17.231 -14.347 301 HG3 PRO 43 2HG PRO 43 6.747 17.162 -16.014 302 HD2 PRO 43 1HD PRO 43 8.346 16.735 -13.871 303 HD3 PRO 43 2HD PRO 43 8.938 17.477 -15.371 304 H SER 44 H SER 44 7.384 18.538 -11.909 305 HA SER 44 HA SER 44 4.888 19.566 -10.890 306 HB2 SER 44 1HB SER 44 5.245 18.067 -9.019 307 HB3 SER 44 2HB SER 44 5.626 17.211 -10.512 308 HG SER 44 HG SER 44 7.864 18.306 -9.784 309 H SER 45 H SER 45 4.617 21.246 -9.573 310 HA SER 45 HA SER 45 6.901 22.236 -8.021 311 HB2 SER 45 1HB SER 45 6.886 23.634 -9.993 312 HB3 SER 45 2HB SER 45 5.151 23.909 -9.837 313 HG SER 45 HG SER 45 6.075 25.670 -8.937 314 H GLY 46 H GLY 46 6.358 23.378 -6.131 315 HA2 GLY 46 1HA GLY 46 4.368 24.476 -4.972 316 HA3 GLY 46 2HA GLY 46 3.574 22.936 -5.263 Start of MODEL 18 1 H1 GLY 1 H GLY 1 2.903 -22.235 6.722 2 HA2 GLY 1 1HA GLY 1 0.820 -22.420 8.812 3 HA3 GLY 1 2HA GLY 1 1.267 -20.899 8.054 4 H SER 2 H SER 2 -0.734 -23.638 7.898 5 HA SER 2 HA SER 2 -1.344 -23.837 5.195 6 HB2 SER 2 1HB SER 2 -2.156 -25.401 6.947 7 HB3 SER 2 2HB SER 2 -3.273 -24.157 7.508 8 HG SER 2 HG SER 2 -3.831 -24.254 5.045 9 H SER 3 H SER 3 -1.841 -22.198 3.897 10 HA SER 3 HA SER 3 -4.084 -20.473 4.614 11 HB2 SER 3 1HB SER 3 -2.886 -18.437 3.955 12 HB3 SER 3 2HB SER 3 -2.071 -19.228 5.305 13 HG SER 3 HG SER 3 -0.535 -18.666 3.786 14 H GLY 4 H GLY 4 -5.289 -19.774 2.880 15 HA2 GLY 4 1HA GLY 4 -4.357 -20.646 0.215 16 HA3 GLY 4 2HA GLY 4 -6.001 -20.940 0.762 17 H SER 5 H SER 5 -5.039 -19.441 -1.567 18 HA SER 5 HA SER 5 -6.741 -17.154 -1.271 19 HB2 SER 5 1HB SER 5 -3.761 -16.825 -1.334 20 HB3 SER 5 2HB SER 5 -4.787 -15.610 -2.096 21 HG SER 5 HG SER 5 -4.186 -15.802 0.444 22 H SER 6 H SER 6 -7.889 -17.456 -3.066 23 HA SER 6 HA SER 6 -6.945 -18.684 -5.415 24 HB2 SER 6 1HB SER 6 -9.393 -17.122 -4.691 25 HB3 SER 6 2HB SER 6 -9.075 -17.471 -6.390 26 HG SER 6 HG SER 6 -8.707 -19.738 -5.357 27 H GLY 7 H GLY 7 -7.568 -15.255 -4.679 28 HA2 GLY 7 1HA GLY 7 -6.408 -14.427 -7.204 29 HA3 GLY 7 2HA GLY 7 -7.071 -13.375 -5.963 30 H THR 8 H THR 8 -5.305 -11.966 -6.086 31 HA THR 8 HA THR 8 -2.783 -13.055 -5.016 32 HB THR 8 HB THR 8 -2.465 -12.208 -7.276 33 HG1 THR 8 HG1 THR 8 -0.738 -11.839 -5.879 34 HG21 THR 8 3HG2 THR 8 -3.006 -9.400 -6.522 35 HG22 THR 8 1HG2 THR 8 -4.417 -10.429 -6.770 36 HG23 THR 8 2HG2 THR 8 -3.236 -10.225 -8.064 37 H ALA 9 H ALA 9 -5.079 -10.383 -4.913 38 HA ALA 9 HA ALA 9 -4.092 -9.722 -2.231 39 HB1 ALA 9 3HB ALA 9 -3.216 -7.811 -2.953 40 HB2 ALA 9 1HB ALA 9 -3.889 -8.040 -4.567 41 HB3 ALA 9 2HB ALA 9 -4.857 -7.272 -3.308 42 H GLU 10 H GLU 10 -5.739 -10.000 -0.888 43 HA GLU 10 HA GLU 10 -8.326 -10.511 -1.355 44 HB2 GLU 10 1HB GLU 10 -8.807 -9.242 0.855 45 HB3 GLU 10 2HB GLU 10 -7.720 -10.624 0.885 46 HG2 GLU 10 1HG GLU 10 -5.864 -8.840 0.557 47 HG3 GLU 10 2HG GLU 10 -7.093 -7.719 1.141 48 H LYS 11 H LYS 11 -6.812 -7.408 -1.694 49 HA LYS 11 HA LYS 11 -9.418 -6.235 -2.418 50 HB2 LYS 11 1HB LYS 11 -6.968 -4.735 -1.483 51 HB3 LYS 11 2HB LYS 11 -8.572 -4.072 -1.763 52 HG2 LYS 11 1HG LYS 11 -7.770 -6.005 0.399 53 HG3 LYS 11 2HG LYS 11 -8.209 -4.307 0.596 54 HD2 LYS 11 1HD LYS 11 -9.976 -6.611 -0.191 55 HD3 LYS 11 2HD LYS 11 -10.122 -5.553 1.214 56 HE2 LYS 11 1HE LYS 11 -10.415 -3.662 -0.503 57 HE3 LYS 11 2HE LYS 11 -10.709 -4.952 -1.667 58 HZ1 LYS 11 3HZ LYS 11 -12.598 -3.819 -0.129 59 HZ2 LYS 11 1HZ LYS 11 -12.217 -5.193 0.781 60 HZ3 LYS 11 2HZ LYS 11 -12.725 -5.356 -0.824 61 HA PRO 12 HA PRO 12 -7.958 -5.608 -6.511 62 HB2 PRO 12 1HB PRO 12 -9.282 -3.335 -7.184 63 HB3 PRO 12 2HB PRO 12 -10.083 -4.903 -7.028 64 HG2 PRO 12 1HG PRO 12 -9.949 -2.641 -5.072 65 HG3 PRO 12 2HG PRO 12 -11.334 -3.656 -5.516 66 HD2 PRO 12 1HD PRO 12 -9.900 -4.055 -3.253 67 HD3 PRO 12 2HD PRO 12 -10.665 -5.386 -4.146 68 H PHE 13 H PHE 13 -7.566 -3.092 -4.132 69 HA PHE 13 HA PHE 13 -5.623 -1.688 -5.811 70 HB2 PHE 13 1HB PHE 13 -6.518 -0.879 -3.047 71 HB3 PHE 13 2HB PHE 13 -5.777 0.128 -4.287 72 HD1 PHE 13 HD1 PHE 13 -7.076 0.967 -6.151 73 HD2 PHE 13 HD2 PHE 13 -8.862 -1.433 -3.124 74 HE1 PHE 13 HE1 PHE 13 -9.307 1.647 -6.933 75 HE2 PHE 13 HE2 PHE 13 -11.096 -0.758 -3.902 76 HZ PHE 13 HZ PHE 13 -11.321 0.784 -5.809 77 H ARG 14 H ARG 14 -3.476 -1.678 -5.420 78 HA ARG 14 HA ARG 14 -2.429 -2.684 -2.904 79 HB2 ARG 14 1HB ARG 14 -2.785 -4.684 -4.389 80 HB3 ARG 14 2HB ARG 14 -1.619 -3.987 -5.505 81 HG2 ARG 14 1HG ARG 14 0.051 -4.012 -3.643 82 HG3 ARG 14 2HG ARG 14 -1.125 -4.920 -2.690 83 HD2 ARG 14 1HD ARG 14 0.473 -6.419 -3.753 84 HD3 ARG 14 2HD ARG 14 -1.150 -6.674 -4.393 85 HE ARG 14 HE ARG 14 -0.066 -4.921 -6.143 86 HH11 ARG 14 1HH1 ARG 14 0.983 -7.985 -4.865 87 HH12 ARG 14 2HH1 ARG 14 1.868 -8.424 -6.288 88 HH21 ARG 14 1HH2 ARG 14 1.096 -5.487 -8.023 89 HH22 ARG 14 2HH2 ARG 14 1.932 -7.002 -8.083 90 H CYS 15 H CYS 15 -0.469 -1.833 -2.395 91 HA CYS 15 HA CYS 15 0.550 0.233 -4.167 92 HB2 CYS 15 1HB CYS 15 0.260 0.830 -1.839 93 HB3 CYS 15 2HB CYS 15 1.262 -0.524 -1.328 94 H ASP 16 H ASP 16 2.095 -0.188 -5.584 95 HA ASP 16 HA ASP 16 3.699 -2.581 -5.373 96 HB2 ASP 16 1HB ASP 16 4.573 -1.945 -7.565 97 HB3 ASP 16 2HB ASP 16 2.814 -1.848 -7.552 98 H THR 17 H THR 17 4.174 -0.817 -3.254 99 HA THR 17 HA THR 17 6.989 -0.137 -3.760 100 HB THR 17 HB THR 17 5.179 1.576 -2.056 101 HG1 THR 17 HG1 THR 17 4.614 2.580 -3.825 102 HG21 THR 17 3HG2 THR 17 7.455 1.799 -1.395 103 HG22 THR 17 1HG2 THR 17 7.077 3.207 -2.386 104 HG23 THR 17 2HG2 THR 17 8.003 1.870 -3.070 105 H CYS 18 H CYS 18 4.580 -0.346 -1.133 106 HA CYS 18 HA CYS 18 6.616 -1.727 0.489 107 HB2 CYS 18 1HB CYS 18 5.365 -0.916 2.468 108 HB3 CYS 18 2HB CYS 18 5.988 0.399 1.478 109 H ASP 19 H ASP 19 4.636 -2.817 -1.477 110 HA ASP 19 HA ASP 19 3.113 -4.507 -1.675 111 HB2 ASP 19 1HB ASP 19 3.597 -6.481 -0.349 112 HB3 ASP 19 2HB ASP 19 5.108 -5.709 -0.820 113 H LYS 20 H LYS 20 1.786 -2.456 -0.707 114 HA LYS 20 HA LYS 20 0.271 -3.457 1.611 115 HB2 LYS 20 1HB LYS 20 1.018 -0.737 0.689 116 HB3 LYS 20 2HB LYS 20 -0.578 -0.915 1.405 117 HG2 LYS 20 1HG LYS 20 0.615 -2.064 3.348 118 HG3 LYS 20 2HG LYS 20 2.100 -1.404 2.659 119 HD2 LYS 20 1HD LYS 20 0.811 0.847 2.679 120 HD3 LYS 20 2HD LYS 20 -0.245 0.037 3.838 121 HE2 LYS 20 1HE LYS 20 2.748 0.209 4.136 122 HE3 LYS 20 2HE LYS 20 1.628 1.370 4.847 123 HZ1 LYS 20 3HZ LYS 20 2.213 -1.361 5.636 124 HZ2 LYS 20 1HZ LYS 20 0.582 -0.917 5.708 125 HZ3 LYS 20 2HZ LYS 20 1.736 -0.038 6.578 126 H SER 21 H SER 21 -2.085 -2.476 1.530 127 HA SER 21 HA SER 21 -3.241 -2.411 -1.117 128 HB2 SER 21 1HB SER 21 -4.846 -4.315 -0.495 129 HB3 SER 21 2HB SER 21 -3.207 -4.770 -0.960 130 HG SER 21 HG SER 21 -2.721 -4.864 1.305 131 H PHE 22 H PHE 22 -5.326 -1.571 -1.154 132 HA PHE 22 HA PHE 22 -6.468 -0.785 1.439 133 HB2 PHE 22 1HB PHE 22 -6.213 1.013 -0.982 134 HB3 PHE 22 2HB PHE 22 -7.008 1.433 0.531 135 HD1 PHE 22 HD2 PHE 22 -3.710 0.158 -0.663 136 HD2 PHE 22 HD1 PHE 22 -5.818 2.683 2.038 137 HE1 PHE 22 HE2 PHE 22 -1.571 0.991 0.222 138 HE2 PHE 22 HE1 PHE 22 -3.683 3.521 2.927 139 HZ PHE 22 HZ PHE 22 -1.555 2.674 2.021 140 H ARG 23 H ARG 23 -8.759 0.182 1.038 141 HA ARG 23 HA ARG 23 -10.162 -1.698 -0.733 142 HB2 ARG 23 1HB ARG 23 -11.231 -0.138 1.626 143 HB3 ARG 23 2HB ARG 23 -12.119 -1.330 0.687 144 HG2 ARG 23 1HG ARG 23 -10.492 -3.049 1.409 145 HG3 ARG 23 2HG ARG 23 -9.723 -1.836 2.435 146 HD2 ARG 23 1HD ARG 23 -11.148 -2.904 3.911 147 HD3 ARG 23 2HD ARG 23 -12.102 -1.510 3.407 148 HE ARG 23 HE ARG 23 -12.648 -3.706 1.723 149 HH11 ARG 23 1HH1 ARG 23 -13.213 -2.556 4.960 150 HH12 ARG 23 2HH1 ARG 23 -14.703 -3.422 5.147 151 HH21 ARG 23 1HH2 ARG 23 -14.608 -4.850 1.957 152 HH22 ARG 23 2HH2 ARG 23 -15.494 -4.726 3.438 153 H GLN 24 H GLN 24 -9.765 1.686 0.052 154 HA GLN 24 HA GLN 24 -11.706 2.415 -2.028 155 HB2 GLN 24 1HB GLN 24 -10.393 4.362 -0.154 156 HB3 GLN 24 2HB GLN 24 -11.920 4.519 -1.011 157 HG2 GLN 24 1HG GLN 24 -11.591 2.382 1.042 158 HG3 GLN 24 2HG GLN 24 -11.892 4.045 1.542 159 HE21 GLN 24 1HE2 GLN 24 -13.685 5.045 -0.027 160 HE22 GLN 24 2HE2 GLN 24 -15.134 4.106 -0.085 161 H ARG 25 H ARG 25 -11.055 3.227 -3.916 162 HA ARG 25 HA ARG 25 -8.423 3.151 -4.777 163 HB2 ARG 25 1HB ARG 25 -10.506 3.246 -6.205 164 HB3 ARG 25 2HB ARG 25 -10.539 4.979 -5.912 165 HG2 ARG 25 1HG ARG 25 -8.339 5.197 -6.958 166 HG3 ARG 25 2HG ARG 25 -8.317 3.459 -7.260 167 HD2 ARG 25 1HD ARG 25 -9.041 4.339 -9.285 168 HD3 ARG 25 2HD ARG 25 -10.543 3.868 -8.491 169 HE ARG 25 HE ARG 25 -10.272 6.447 -7.761 170 HH11 ARG 25 1HH1 ARG 25 -10.129 4.833 -10.843 171 HH12 ARG 25 2HH1 ARG 25 -10.725 6.196 -11.731 172 HH21 ARG 25 1HH2 ARG 25 -11.057 8.248 -8.920 173 HH22 ARG 25 2HH2 ARG 25 -11.252 8.138 -10.637 174 H SER 26 H SER 26 -10.148 5.673 -3.118 175 HA SER 26 HA SER 26 -8.235 7.737 -3.698 176 HB2 SER 26 1HB SER 26 -10.579 8.297 -3.227 177 HB3 SER 26 2HB SER 26 -10.421 7.624 -1.605 178 HG SER 26 HG SER 26 -9.670 9.482 -1.014 179 H ALA 27 H ALA 27 -8.436 5.159 -1.478 180 HA ALA 27 HA ALA 27 -6.762 6.368 0.545 181 HB1 ALA 27 3HB ALA 27 -7.260 4.581 1.842 182 HB2 ALA 27 1HB ALA 27 -8.595 4.428 0.699 183 HB3 ALA 27 2HB ALA 27 -7.148 3.437 0.504 184 H LEU 28 H LEU 28 -6.392 4.215 -2.195 185 HA LEU 28 HA LEU 28 -3.614 3.658 -1.545 186 HB2 LEU 28 1HB LEU 28 -4.579 1.780 -2.454 187 HB3 LEU 28 2HB LEU 28 -5.558 2.705 -3.591 188 HG LEU 28 HG LEU 28 -3.153 3.216 -4.623 189 HD11 LEU 28 1HD1 LEU 28 -1.962 1.931 -2.910 190 HD12 LEU 28 2HD1 LEU 28 -1.733 1.249 -4.520 191 HD13 LEU 28 3HD1 LEU 28 -2.847 0.482 -3.388 192 HD21 LEU 28 3HD2 LEU 28 -5.342 1.812 -5.376 193 HD22 LEU 28 1HD2 LEU 28 -4.120 0.540 -5.361 194 HD23 LEU 28 2HD2 LEU 28 -3.883 1.978 -6.354 195 H ASN 29 H ASN 29 -5.447 5.259 -4.139 196 HA ASN 29 HA ASN 29 -3.348 6.097 -5.726 197 HB2 ASN 29 1HB ASN 29 -6.088 7.158 -5.187 198 HB3 ASN 29 2HB ASN 29 -4.972 8.153 -6.118 199 HD21 ASN 29 1HD2 ASN 29 -7.287 7.263 -7.237 200 HD22 ASN 29 2HD2 ASN 29 -6.940 6.079 -8.446 201 H SER 30 H SER 30 -4.373 7.288 -2.633 202 HA SER 30 HA SER 30 -2.704 9.669 -2.844 203 HB2 SER 30 1HB SER 30 -4.913 9.881 -1.782 204 HB3 SER 30 2HB SER 30 -4.445 8.693 -0.566 205 HG SER 30 HG SER 30 -4.202 11.117 -0.162 206 H HIS 31 H HIS 31 -2.814 6.573 -1.191 207 HA HIS 31 HA HIS 31 -0.716 7.017 0.631 208 HB2 HIS 31 1HB HIS 31 -2.030 5.137 1.092 209 HB3 HIS 31 2HB HIS 31 -1.945 4.553 -0.567 210 HD1 HIS 31 HD1 HIS 31 -0.020 4.608 2.642 211 HD2 HIS 31 HD2 HIS 31 0.286 2.990 -1.172 212 HE1 HIS 31 HE1 HIS 31 1.849 2.930 2.772 213 H ARG 32 H ARG 32 -0.752 5.947 -2.719 214 HA ARG 32 HA ARG 32 1.915 5.095 -2.908 215 HB2 ARG 32 1HB ARG 32 0.103 6.283 -5.016 216 HB3 ARG 32 2HB ARG 32 1.643 5.502 -5.351 217 HG2 ARG 32 1HG ARG 32 0.745 3.425 -4.322 218 HG3 ARG 32 2HG ARG 32 -0.819 4.229 -4.181 219 HD2 ARG 32 1HD ARG 32 0.688 3.778 -6.755 220 HD3 ARG 32 2HD ARG 32 -0.665 2.803 -6.184 221 HE ARG 32 HE ARG 32 -1.683 5.306 -6.211 222 HH11 ARG 32 1HH1 ARG 32 0.005 3.389 -8.576 223 HH12 ARG 32 2HH1 ARG 32 -0.786 4.125 -9.930 224 HH21 ARG 32 1HH2 ARG 32 -2.732 6.284 -7.985 225 HH22 ARG 32 2HH2 ARG 32 -2.342 5.773 -9.593 226 H MET 33 H MET 33 0.507 8.259 -2.823 227 HA MET 33 HA MET 33 2.580 9.722 -4.042 228 HB2 MET 33 1HB MET 33 0.641 10.572 -1.884 229 HB3 MET 33 2HB MET 33 1.641 11.665 -2.832 230 HG2 MET 33 1HG MET 33 0.466 10.520 -4.859 231 HG3 MET 33 2HG MET 33 -0.744 10.083 -3.655 232 HE1 MET 33 3HE MET 33 -2.107 11.358 -5.639 233 HE2 MET 33 1HE MET 33 -2.916 11.567 -4.086 234 HE3 MET 33 2HE MET 33 -2.731 12.942 -5.176 235 H ILE 34 H ILE 34 1.980 8.895 -0.640 236 HA ILE 34 HA ILE 34 3.993 10.258 0.611 237 HB ILE 34 HB ILE 34 3.788 8.822 2.404 238 HG12 ILE 34 1HG1 ILE 34 3.506 6.659 0.338 239 HG13 ILE 34 2HG1 ILE 34 4.684 6.799 1.639 240 HG21 ILE 34 1HG2 ILE 34 1.553 9.650 1.395 241 HG22 ILE 34 2HG2 ILE 34 1.295 7.951 1.000 242 HG23 ILE 34 3HG2 ILE 34 1.518 8.443 2.679 243 HD11 ILE 34 3HD1 ILE 34 3.019 5.019 2.000 244 HD12 ILE 34 1HD1 ILE 34 3.017 6.240 3.272 245 HD13 ILE 34 2HD1 ILE 34 1.755 6.248 2.040 246 H HIS 35 H HIS 35 4.278 7.515 -1.504 247 HA HIS 35 HA HIS 35 7.035 6.992 -0.787 248 HB2 HIS 35 1HB HIS 35 5.335 5.865 -3.022 249 HB3 HIS 35 2HB HIS 35 6.939 5.293 -2.573 250 HD1 HIS 35 HD1 HIS 35 6.786 4.943 0.378 251 HD2 HIS 35 HD2 HIS 35 3.607 3.998 -2.125 252 HE1 HIS 35 HE1 HIS 35 5.387 3.294 1.661 253 H THR 36 H THR 36 6.608 9.637 -1.619 254 HA THR 36 HA THR 36 8.249 9.682 -4.057 255 HB THR 36 HB THR 36 7.057 11.617 -4.914 256 HG1 THR 36 HG1 THR 36 5.142 12.319 -3.840 257 HG21 THR 36 3HG2 THR 36 4.659 10.069 -4.510 258 HG22 THR 36 1HG2 THR 36 6.038 9.011 -4.802 259 HG23 THR 36 2HG2 THR 36 5.628 10.268 -5.969 260 H GLY 37 H GLY 37 9.600 11.554 -4.285 261 HA2 GLY 37 1HA GLY 37 10.146 13.764 -3.166 262 HA3 GLY 37 2HA GLY 37 10.185 12.821 -1.683 263 H GLU 38 H GLU 38 11.830 11.168 -1.473 264 HA GLU 38 HA GLU 38 14.351 12.080 -2.508 265 HB2 GLU 38 1HB GLU 38 15.253 10.134 -1.168 266 HB3 GLU 38 2HB GLU 38 14.365 11.344 -0.252 267 HG2 GLU 38 1HG GLU 38 12.552 9.952 0.087 268 HG3 GLU 38 2HG GLU 38 12.966 8.914 -1.276 269 H LYS 39 H LYS 39 13.244 11.542 -4.751 270 HA LYS 39 HA LYS 39 14.318 8.927 -5.570 271 HB2 LYS 39 1HB LYS 39 11.778 10.208 -6.599 272 HB3 LYS 39 2HB LYS 39 12.480 8.707 -7.189 273 HG2 LYS 39 1HG LYS 39 11.504 9.155 -4.376 274 HG3 LYS 39 2HG LYS 39 10.582 8.362 -5.655 275 HD2 LYS 39 1HD LYS 39 12.255 6.616 -5.822 276 HD3 LYS 39 2HD LYS 39 13.266 7.436 -4.630 277 HE2 LYS 39 1HE LYS 39 11.233 7.226 -3.071 278 HE3 LYS 39 2HE LYS 39 10.637 6.043 -4.234 279 HZ1 LYS 39 3HZ LYS 39 13.165 5.220 -3.830 280 HZ2 LYS 39 1HZ LYS 39 11.814 4.606 -3.017 281 HZ3 LYS 39 2HZ LYS 39 12.760 5.808 -2.296 282 HA PRO 40 HA PRO 40 16.180 12.413 -8.028 283 HB2 PRO 40 1HB PRO 40 18.742 11.561 -7.750 284 HB3 PRO 40 2HB PRO 40 17.947 12.615 -6.575 285 HG2 PRO 40 1HG PRO 40 18.375 9.654 -6.477 286 HG3 PRO 40 2HG PRO 40 18.566 10.855 -5.186 287 HD2 PRO 40 1HD PRO 40 16.375 9.278 -5.396 288 HD3 PRO 40 2HD PRO 40 16.304 10.929 -4.749 289 H SER 41 H SER 41 16.068 9.000 -8.145 290 HA SER 41 HA SER 41 17.626 8.447 -10.405 291 HB2 SER 41 1HB SER 41 16.427 6.838 -8.736 292 HB3 SER 41 2HB SER 41 15.071 6.965 -9.856 293 HG SER 41 HG SER 41 16.977 6.493 -11.442 294 H GLY 42 H GLY 42 17.299 10.097 -11.930 295 HA2 GLY 42 1HA GLY 42 16.417 10.845 -13.924 296 HA3 GLY 42 2HA GLY 42 15.224 9.559 -13.820 297 HA PRO 43 HA PRO 43 12.667 13.265 -13.394 298 HB2 PRO 43 1HB PRO 43 10.369 12.019 -14.127 299 HB3 PRO 43 2HB PRO 43 11.556 12.610 -15.295 300 HG2 PRO 43 1HG PRO 43 11.141 9.834 -14.255 301 HG3 PRO 43 2HG PRO 43 11.456 10.371 -15.915 302 HD2 PRO 43 1HD PRO 43 13.391 9.340 -14.326 303 HD3 PRO 43 2HD PRO 43 13.722 10.581 -15.551 304 H SER 44 H SER 44 11.238 13.917 -11.811 305 HA SER 44 HA SER 44 10.204 11.904 -9.954 306 HB2 SER 44 1HB SER 44 12.287 12.598 -8.932 307 HB3 SER 44 2HB SER 44 11.872 14.298 -9.148 308 HG SER 44 HG SER 44 9.887 13.132 -7.830 309 H SER 45 H SER 45 8.080 12.226 -10.169 310 HA SER 45 HA SER 45 6.737 14.465 -10.993 311 HB2 SER 45 1HB SER 45 4.743 13.535 -9.891 312 HB3 SER 45 2HB SER 45 5.664 12.271 -10.705 313 HG SER 45 HG SER 45 6.679 12.239 -8.381 314 H GLY 46 H GLY 46 8.031 13.779 -7.820 315 HA2 GLY 46 1HA GLY 46 8.161 15.040 -5.905 316 HA3 GLY 46 2HA GLY 46 8.164 16.420 -6.992 Start of MODEL 19 1 H1 GLY 1 H GLY 1 11.521 -17.339 -0.941 2 HA2 GLY 1 1HA GLY 1 11.330 -15.186 0.990 3 HA3 GLY 1 2HA GLY 1 10.413 -14.929 -0.487 4 H SER 2 H SER 2 9.434 -15.226 2.239 5 HA SER 2 HA SER 2 7.756 -17.618 1.849 6 HB2 SER 2 1HB SER 2 8.909 -16.492 4.403 7 HB3 SER 2 2HB SER 2 7.570 -17.640 4.389 8 HG SER 2 HG SER 2 9.944 -18.373 4.492 9 H SER 3 H SER 3 5.927 -16.756 1.040 10 HA SER 3 HA SER 3 4.188 -15.315 2.749 11 HB2 SER 3 1HB SER 3 4.074 -13.192 1.698 12 HB3 SER 3 2HB SER 3 5.794 -13.502 1.928 13 HG SER 3 HG SER 3 5.939 -13.183 -0.137 14 H GLY 4 H GLY 4 2.069 -15.241 1.967 15 HA2 GLY 4 1HA GLY 4 1.276 -15.675 -0.682 16 HA3 GLY 4 2HA GLY 4 1.374 -17.242 0.107 17 H SER 5 H SER 5 -0.821 -15.208 -0.853 18 HA SER 5 HA SER 5 -2.667 -15.910 1.280 19 HB2 SER 5 1HB SER 5 -1.648 -13.611 1.779 20 HB3 SER 5 2HB SER 5 -2.540 -13.036 0.370 21 HG SER 5 HG SER 5 -3.860 -12.719 2.103 22 H SER 6 H SER 6 -4.946 -15.337 0.672 23 HA SER 6 HA SER 6 -5.794 -16.514 -1.597 24 HB2 SER 6 1HB SER 6 -7.890 -15.307 -1.390 25 HB3 SER 6 2HB SER 6 -7.275 -15.670 0.222 26 HG SER 6 HG SER 6 -7.880 -13.300 -0.810 27 H GLY 7 H GLY 7 -4.814 -16.197 -3.523 28 HA2 GLY 7 1HA GLY 7 -4.275 -15.181 -5.509 29 HA3 GLY 7 2HA GLY 7 -5.538 -14.018 -5.134 30 H THR 8 H THR 8 -4.202 -12.413 -6.140 31 HA THR 8 HA THR 8 -1.610 -11.772 -5.190 32 HB THR 8 HB THR 8 -2.261 -11.018 -7.381 33 HG1 THR 8 HG1 THR 8 -0.816 -9.617 -6.408 34 HG21 THR 8 3HG2 THR 8 -3.958 -9.062 -7.460 35 HG22 THR 8 1HG2 THR 8 -4.506 -9.686 -5.905 36 HG23 THR 8 2HG2 THR 8 -4.569 -10.712 -7.339 37 H ALA 9 H ALA 9 -4.845 -10.685 -4.324 38 HA ALA 9 HA ALA 9 -4.081 -9.899 -1.729 39 HB1 ALA 9 3HB ALA 9 -3.763 -7.886 -3.786 40 HB2 ALA 9 1HB ALA 9 -4.887 -7.372 -2.527 41 HB3 ALA 9 2HB ALA 9 -3.249 -7.868 -2.099 42 H GLU 10 H GLU 10 -5.846 -9.517 -0.425 43 HA GLU 10 HA GLU 10 -8.342 -10.452 -1.297 44 HB2 GLU 10 1HB GLU 10 -9.104 -10.070 0.875 45 HB3 GLU 10 2HB GLU 10 -7.377 -10.316 1.093 46 HG2 GLU 10 1HG GLU 10 -8.699 -7.620 0.909 47 HG3 GLU 10 2HG GLU 10 -8.307 -8.443 2.417 48 H LYS 11 H LYS 11 -6.885 -7.413 -1.660 49 HA LYS 11 HA LYS 11 -9.486 -6.201 -2.336 50 HB2 LYS 11 1HB LYS 11 -6.999 -4.730 -1.453 51 HB3 LYS 11 2HB LYS 11 -8.588 -4.035 -1.746 52 HG2 LYS 11 1HG LYS 11 -7.792 -5.902 0.473 53 HG3 LYS 11 2HG LYS 11 -8.273 -4.209 0.608 54 HD2 LYS 11 1HD LYS 11 -9.992 -6.560 -0.166 55 HD3 LYS 11 2HD LYS 11 -10.141 -5.538 1.266 56 HE2 LYS 11 1HE LYS 11 -10.510 -3.610 -0.370 57 HE3 LYS 11 2HE LYS 11 -10.741 -4.854 -1.598 58 HZ1 LYS 11 3HZ LYS 11 -12.379 -4.328 0.806 59 HZ2 LYS 11 1HZ LYS 11 -12.458 -5.805 -0.015 60 HZ3 LYS 11 2HZ LYS 11 -12.869 -4.372 -0.813 61 HA PRO 12 HA PRO 12 -8.075 -5.667 -6.460 62 HB2 PRO 12 1HB PRO 12 -9.357 -3.376 -7.152 63 HB3 PRO 12 2HB PRO 12 -10.191 -4.923 -6.957 64 HG2 PRO 12 1HG PRO 12 -9.977 -2.632 -5.042 65 HG3 PRO 12 2HG PRO 12 -11.391 -3.622 -5.448 66 HD2 PRO 12 1HD PRO 12 -9.932 -4.017 -3.201 67 HD3 PRO 12 2HD PRO 12 -10.740 -5.344 -4.059 68 H PHE 13 H PHE 13 -7.580 -3.133 -4.124 69 HA PHE 13 HA PHE 13 -5.628 -1.806 -5.857 70 HB2 PHE 13 1HB PHE 13 -6.490 -0.916 -3.106 71 HB3 PHE 13 2HB PHE 13 -5.718 0.045 -4.363 72 HD1 PHE 13 HD2 PHE 13 -8.852 -1.445 -3.212 73 HD2 PHE 13 HD1 PHE 13 -6.987 0.931 -6.211 74 HE1 PHE 13 HE2 PHE 13 -11.064 -0.719 -4.007 75 HE2 PHE 13 HE1 PHE 13 -9.196 1.662 -7.010 76 HZ PHE 13 HZ PHE 13 -11.238 0.836 -5.909 77 H ARG 14 H ARG 14 -3.472 -1.736 -5.419 78 HA ARG 14 HA ARG 14 -2.445 -2.780 -2.915 79 HB2 ARG 14 1HB ARG 14 -2.761 -4.794 -4.316 80 HB3 ARG 14 2HB ARG 14 -1.727 -4.081 -5.547 81 HG2 ARG 14 1HG ARG 14 0.141 -4.071 -3.956 82 HG3 ARG 14 2HG ARG 14 -0.902 -4.830 -2.751 83 HD2 ARG 14 1HD ARG 14 0.513 -6.479 -3.866 84 HD3 ARG 14 2HD ARG 14 -1.193 -6.764 -4.207 85 HE ARG 14 HE ARG 14 -0.818 -6.247 -6.423 86 HH11 ARG 14 1HH1 ARG 14 1.991 -5.468 -4.520 87 HH12 ARG 14 2HH1 ARG 14 3.012 -5.209 -5.896 88 HH21 ARG 14 1HH2 ARG 14 0.516 -5.909 -8.242 89 HH22 ARG 14 2HH2 ARG 14 2.172 -5.460 -8.012 90 H CYS 15 H CYS 15 -0.567 -1.833 -2.352 91 HA CYS 15 HA CYS 15 0.479 0.228 -4.087 92 HB2 CYS 15 1HB CYS 15 0.211 0.726 -1.725 93 HB3 CYS 15 2HB CYS 15 1.251 -0.627 -1.290 94 H ASP 16 H ASP 16 1.918 -0.244 -5.602 95 HA ASP 16 HA ASP 16 3.584 -2.595 -5.422 96 HB2 ASP 16 1HB ASP 16 4.358 -1.960 -7.659 97 HB3 ASP 16 2HB ASP 16 2.599 -1.930 -7.571 98 H THR 17 H THR 17 4.118 -0.792 -3.351 99 HA THR 17 HA THR 17 6.891 -0.060 -3.995 100 HB THR 17 HB THR 17 5.107 1.632 -2.240 101 HG1 THR 17 HG1 THR 17 5.323 3.113 -4.111 102 HG21 THR 17 3HG2 THR 17 7.912 1.927 -3.291 103 HG22 THR 17 1HG2 THR 17 7.366 1.940 -1.615 104 HG23 THR 17 2HG2 THR 17 6.983 3.295 -2.677 105 H CYS 18 H CYS 18 4.598 -0.335 -1.274 106 HA CYS 18 HA CYS 18 6.753 -1.597 0.289 107 HB2 CYS 18 1HB CYS 18 5.493 -0.866 2.299 108 HB3 CYS 18 2HB CYS 18 6.024 0.482 1.299 109 H ASP 19 H ASP 19 4.421 -2.568 -1.582 110 HA ASP 19 HA ASP 19 3.135 -4.436 -1.755 111 HB2 ASP 19 1HB ASP 19 5.107 -5.637 -1.012 112 HB3 ASP 19 2HB ASP 19 4.739 -5.269 0.670 113 H LYS 20 H LYS 20 1.767 -2.406 -0.755 114 HA LYS 20 HA LYS 20 0.301 -3.478 1.565 115 HB2 LYS 20 1HB LYS 20 1.043 -0.742 0.730 116 HB3 LYS 20 2HB LYS 20 -0.588 -0.924 1.364 117 HG2 LYS 20 1HG LYS 20 0.760 -2.267 3.245 118 HG3 LYS 20 2HG LYS 20 2.017 -1.139 2.732 119 HD2 LYS 20 1HD LYS 20 1.020 0.169 4.299 120 HD3 LYS 20 2HD LYS 20 -0.021 0.575 2.932 121 HE2 LYS 20 1HE LYS 20 -1.481 0.104 4.719 122 HE3 LYS 20 2HE LYS 20 -1.515 -1.329 3.693 123 HZ1 LYS 20 3HZ LYS 20 -1.277 -1.621 6.218 124 HZ2 LYS 20 1HZ LYS 20 0.338 -1.177 5.980 125 HZ3 LYS 20 2HZ LYS 20 -0.286 -2.545 5.205 126 H SER 21 H SER 21 -2.067 -2.401 1.496 127 HA SER 21 HA SER 21 -3.234 -2.396 -1.144 128 HB2 SER 21 1HB SER 21 -4.866 -4.261 -0.456 129 HB3 SER 21 2HB SER 21 -3.242 -4.747 -0.939 130 HG SER 21 HG SER 21 -2.735 -5.176 1.130 131 H PHE 22 H PHE 22 -5.376 -1.626 -1.175 132 HA PHE 22 HA PHE 22 -6.490 -0.753 1.393 133 HB2 PHE 22 1HB PHE 22 -6.173 1.035 -1.028 134 HB3 PHE 22 2HB PHE 22 -6.976 1.473 0.477 135 HD1 PHE 22 HD2 PHE 22 -3.690 0.157 -0.703 136 HD2 PHE 22 HD1 PHE 22 -5.780 2.678 2.016 137 HE1 PHE 22 HE2 PHE 22 -1.545 0.950 0.204 138 HE2 PHE 22 HE1 PHE 22 -3.638 3.476 2.928 139 HZ PHE 22 HZ PHE 22 -1.517 2.611 2.023 140 H ARG 23 H ARG 23 -8.767 0.154 1.054 141 HA ARG 23 HA ARG 23 -10.180 -1.674 -0.751 142 HB2 ARG 23 1HB ARG 23 -11.274 -0.059 1.559 143 HB3 ARG 23 2HB ARG 23 -12.135 -1.291 0.646 144 HG2 ARG 23 1HG ARG 23 -10.186 -2.834 1.437 145 HG3 ARG 23 2HG ARG 23 -9.981 -1.599 2.681 146 HD2 ARG 23 1HD ARG 23 -12.217 -1.908 3.457 147 HD3 ARG 23 2HD ARG 23 -12.606 -2.951 2.089 148 HE ARG 23 HE ARG 23 -11.545 -4.705 3.148 149 HH11 ARG 23 1HH1 ARG 23 -10.937 -1.730 4.852 150 HH12 ARG 23 2HH1 ARG 23 -10.257 -2.512 6.240 151 HH21 ARG 23 1HH2 ARG 23 -10.653 -5.746 4.971 152 HH22 ARG 23 2HH2 ARG 23 -10.095 -4.797 6.307 153 H GLN 24 H GLN 24 -9.834 1.724 0.074 154 HA GLN 24 HA GLN 24 -11.726 2.464 -2.034 155 HB2 GLN 24 1HB GLN 24 -10.329 4.368 -0.169 156 HB3 GLN 24 2HB GLN 24 -11.820 4.618 -1.067 157 HG2 GLN 24 1HG GLN 24 -11.656 2.486 1.019 158 HG3 GLN 24 2HG GLN 24 -11.916 4.169 1.475 159 HE21 GLN 24 1HE2 GLN 24 -13.278 1.345 0.064 160 HE22 GLN 24 2HE2 GLN 24 -14.886 1.947 -0.124 161 H ARG 25 H ARG 25 -11.076 3.195 -3.953 162 HA ARG 25 HA ARG 25 -8.443 3.058 -4.823 163 HB2 ARG 25 1HB ARG 25 -10.436 3.053 -6.302 164 HB3 ARG 25 2HB ARG 25 -10.645 4.771 -5.987 165 HG2 ARG 25 1HG ARG 25 -8.495 5.239 -7.023 166 HG3 ARG 25 2HG ARG 25 -8.248 3.515 -7.307 167 HD2 ARG 25 1HD ARG 25 -9.029 4.394 -9.350 168 HD3 ARG 25 2HD ARG 25 -10.407 3.565 -8.628 169 HE ARG 25 HE ARG 25 -11.450 5.611 -8.304 170 HH11 ARG 25 1HH1 ARG 25 -8.208 6.046 -9.495 171 HH12 ARG 25 2HH1 ARG 25 -8.434 7.720 -9.880 172 HH21 ARG 25 1HH2 ARG 25 -11.760 7.815 -8.806 173 HH22 ARG 25 2HH2 ARG 25 -10.455 8.725 -9.487 174 H SER 26 H SER 26 -10.060 5.555 -3.096 175 HA SER 26 HA SER 26 -8.178 7.628 -3.821 176 HB2 SER 26 1HB SER 26 -10.541 8.173 -3.329 177 HB3 SER 26 2HB SER 26 -10.312 7.615 -1.672 178 HG SER 26 HG SER 26 -10.016 9.802 -1.645 179 H ALA 27 H ALA 27 -8.384 5.125 -1.512 180 HA ALA 27 HA ALA 27 -6.695 6.378 0.464 181 HB1 ALA 27 3HB ALA 27 -6.970 3.462 0.563 182 HB2 ALA 27 1HB ALA 27 -7.274 4.677 1.806 183 HB3 ALA 27 2HB ALA 27 -8.497 4.345 0.578 184 H LEU 28 H LEU 28 -6.328 4.103 -2.191 185 HA LEU 28 HA LEU 28 -3.555 3.571 -1.555 186 HB2 LEU 28 1HB LEU 28 -4.516 1.707 -2.488 187 HB3 LEU 28 2HB LEU 28 -5.496 2.646 -3.613 188 HG LEU 28 HG LEU 28 -3.094 3.162 -4.649 189 HD11 LEU 28 1HD1 LEU 28 -1.849 0.942 -4.608 190 HD12 LEU 28 2HD1 LEU 28 -2.792 0.570 -3.165 191 HD13 LEU 28 3HD1 LEU 28 -1.715 1.966 -3.178 192 HD21 LEU 28 3HD2 LEU 28 -4.029 0.498 -5.430 193 HD22 LEU 28 1HD2 LEU 28 -3.862 1.971 -6.385 194 HD23 LEU 28 2HD2 LEU 28 -5.292 1.729 -5.381 195 H ASN 29 H ASN 29 -5.344 5.187 -4.172 196 HA ASN 29 HA ASN 29 -3.201 6.030 -5.706 197 HB2 ASN 29 1HB ASN 29 -5.968 7.062 -5.260 198 HB3 ASN 29 2HB ASN 29 -4.834 8.068 -6.157 199 HD21 ASN 29 1HD2 ASN 29 -7.098 7.154 -7.353 200 HD22 ASN 29 2HD2 ASN 29 -6.698 5.968 -8.545 201 H SER 30 H SER 30 -4.335 7.223 -2.652 202 HA SER 30 HA SER 30 -2.703 9.630 -2.821 203 HB2 SER 30 1HB SER 30 -4.786 8.609 -0.934 204 HB3 SER 30 2HB SER 30 -3.624 9.798 -0.345 205 HG SER 30 HG SER 30 -4.839 11.216 -1.288 206 H HIS 31 H HIS 31 -2.763 6.516 -1.206 207 HA HIS 31 HA HIS 31 -0.707 7.006 0.660 208 HB2 HIS 31 1HB HIS 31 -2.036 5.106 1.071 209 HB3 HIS 31 2HB HIS 31 -1.829 4.498 -0.569 210 HD1 HIS 31 HD1 HIS 31 -0.060 4.728 2.734 211 HD2 HIS 31 HD2 HIS 31 0.436 2.946 -0.986 212 HE1 HIS 31 HE1 HIS 31 1.839 3.102 3.014 213 H ARG 32 H ARG 32 -0.673 5.846 -2.671 214 HA ARG 32 HA ARG 32 2.020 5.087 -2.810 215 HB2 ARG 32 1HB ARG 32 0.219 6.178 -4.980 216 HB3 ARG 32 2HB ARG 32 1.770 5.398 -5.259 217 HG2 ARG 32 1HG ARG 32 0.868 3.350 -4.182 218 HG3 ARG 32 2HG ARG 32 -0.704 4.147 -4.091 219 HD2 ARG 32 1HD ARG 32 0.856 3.518 -6.594 220 HD3 ARG 32 2HD ARG 32 -0.608 2.708 -6.038 221 HE ARG 32 HE ARG 32 -1.442 5.237 -6.244 222 HH11 ARG 32 1HH1 ARG 32 0.393 3.238 -8.424 223 HH12 ARG 32 2HH1 ARG 32 -0.208 4.016 -9.851 224 HH21 ARG 32 1HH2 ARG 32 -2.241 6.269 -8.115 225 HH22 ARG 32 2HH2 ARG 32 -1.706 5.740 -9.674 226 H MET 33 H MET 33 0.546 8.194 -2.697 227 HA MET 33 HA MET 33 2.593 9.693 -3.963 228 HB2 MET 33 1HB MET 33 0.554 10.528 -1.894 229 HB3 MET 33 2HB MET 33 1.565 11.636 -2.811 230 HG2 MET 33 1HG MET 33 0.536 10.600 -4.892 231 HG3 MET 33 2HG MET 33 -0.646 9.874 -3.805 232 HE1 MET 33 3HE MET 33 -2.476 11.971 -5.752 233 HE2 MET 33 1HE MET 33 -2.504 10.590 -4.656 234 HE3 MET 33 2HE MET 33 -3.291 12.098 -4.193 235 H ILE 34 H ILE 34 1.929 8.914 -0.563 236 HA ILE 34 HA ILE 34 3.851 10.375 0.717 237 HB ILE 34 HB ILE 34 3.658 8.957 2.529 238 HG12 ILE 34 1HG1 ILE 34 3.517 6.761 0.487 239 HG13 ILE 34 2HG1 ILE 34 4.639 6.954 1.829 240 HG21 ILE 34 1HG2 ILE 34 1.429 9.714 1.540 241 HG22 ILE 34 2HG2 ILE 34 1.234 8.042 1.014 242 HG23 ILE 34 3HG2 ILE 34 1.387 8.414 2.731 243 HD11 ILE 34 3HD1 ILE 34 3.012 5.122 2.137 244 HD12 ILE 34 1HD1 ILE 34 2.944 6.345 3.405 245 HD13 ILE 34 2HD1 ILE 34 1.717 6.319 2.138 246 H HIS 35 H HIS 35 4.292 7.507 -1.236 247 HA HIS 35 HA HIS 35 7.029 7.101 -0.460 248 HB2 HIS 35 1HB HIS 35 5.471 5.979 -2.798 249 HB3 HIS 35 2HB HIS 35 7.059 5.429 -2.272 250 HD1 HIS 35 HD1 HIS 35 6.741 5.044 0.668 251 HD2 HIS 35 HD2 HIS 35 3.746 4.050 -2.034 252 HE1 HIS 35 HE1 HIS 35 5.309 3.344 1.846 253 H THR 36 H THR 36 5.444 8.201 -3.458 254 HA THR 36 HA THR 36 7.492 8.754 -5.095 255 HB THR 36 HB THR 36 6.260 10.582 -6.057 256 HG1 THR 36 HG1 THR 36 5.624 11.879 -4.434 257 HG21 THR 36 3HG2 THR 36 4.159 8.752 -4.922 258 HG22 THR 36 1HG2 THR 36 5.316 8.213 -6.139 259 HG23 THR 36 2HG2 THR 36 4.199 9.528 -6.506 260 H GLY 37 H GLY 37 6.513 10.836 -2.384 261 HA2 GLY 37 1HA GLY 37 8.416 12.863 -2.805 262 HA3 GLY 37 2HA GLY 37 7.630 12.506 -1.275 263 H GLU 38 H GLU 38 8.851 11.754 0.333 264 HA GLU 38 HA GLU 38 11.662 11.323 -0.131 265 HB2 GLU 38 1HB GLU 38 9.982 11.219 2.377 266 HB3 GLU 38 2HB GLU 38 11.723 10.976 2.357 267 HG2 GLU 38 1HG GLU 38 11.755 13.284 1.157 268 HG3 GLU 38 2HG GLU 38 10.153 13.462 1.870 269 H LYS 39 H LYS 39 12.615 9.440 -0.501 270 HA LYS 39 HA LYS 39 11.080 6.977 -0.071 271 HB2 LYS 39 1HB LYS 39 12.212 7.697 -2.326 272 HB3 LYS 39 2HB LYS 39 13.672 7.074 -1.569 273 HG2 LYS 39 1HG LYS 39 12.721 4.896 -1.361 274 HG3 LYS 39 2HG LYS 39 11.138 5.482 -1.877 275 HD2 LYS 39 1HD LYS 39 11.946 5.915 -4.088 276 HD3 LYS 39 2HD LYS 39 13.611 5.588 -3.599 277 HE2 LYS 39 1HE LYS 39 12.714 3.691 -4.807 278 HE3 LYS 39 2HE LYS 39 12.988 3.256 -3.121 279 HZ1 LYS 39 3HZ LYS 39 10.899 2.534 -3.147 280 HZ2 LYS 39 1HZ LYS 39 10.546 3.301 -4.612 281 HZ3 LYS 39 2HZ LYS 39 10.419 4.156 -3.158 282 HA PRO 40 HA PRO 40 13.617 5.843 3.351 283 HB2 PRO 40 1HB PRO 40 13.128 3.172 3.345 284 HB3 PRO 40 2HB PRO 40 11.946 4.364 3.898 285 HG2 PRO 40 1HG PRO 40 12.135 2.969 1.256 286 HG3 PRO 40 2HG PRO 40 10.703 3.295 2.249 287 HD2 PRO 40 1HD PRO 40 11.355 4.801 0.096 288 HD3 PRO 40 2HD PRO 40 10.537 5.475 1.520 289 H SER 41 H SER 41 13.930 4.208 0.251 290 HA SER 41 HA SER 41 16.417 2.935 0.900 291 HB2 SER 41 1HB SER 41 16.470 2.275 -1.443 292 HB3 SER 41 2HB SER 41 14.846 2.028 -0.800 293 HG SER 41 HG SER 41 15.562 3.476 -2.893 294 H GLY 42 H GLY 42 15.560 5.576 -1.348 295 HA2 GLY 42 1HA GLY 42 17.734 7.213 -0.572 296 HA3 GLY 42 2HA GLY 42 18.159 6.319 -2.024 297 HA PRO 43 HA PRO 43 15.660 10.252 -2.948 298 HB2 PRO 43 1HB PRO 43 17.679 11.746 -3.978 299 HB3 PRO 43 2HB PRO 43 17.243 11.770 -2.265 300 HG2 PRO 43 1HG PRO 43 19.450 10.284 -3.636 301 HG3 PRO 43 2HG PRO 43 19.485 11.175 -2.104 302 HD2 PRO 43 1HD PRO 43 19.281 8.477 -2.216 303 HD3 PRO 43 2HD PRO 43 18.528 9.439 -0.927 304 H SER 44 H SER 44 17.424 7.864 -4.447 305 HA SER 44 HA SER 44 17.341 8.835 -7.145 306 HB2 SER 44 1HB SER 44 18.856 6.972 -6.024 307 HB3 SER 44 2HB SER 44 17.539 5.916 -6.534 308 HG SER 44 HG SER 44 18.448 5.973 -8.418 309 H SER 45 H SER 45 15.144 9.437 -7.389 310 HA SER 45 HA SER 45 13.434 7.192 -8.128 311 HB2 SER 45 1HB SER 45 11.509 8.054 -6.915 312 HB3 SER 45 2HB SER 45 12.834 7.773 -5.786 313 HG SER 45 HG SER 45 13.122 10.233 -6.615 314 H GLY 46 H GLY 46 11.449 7.973 -9.312 315 HA2 GLY 46 1HA GLY 46 10.951 10.452 -10.306 316 HA3 GLY 46 2HA GLY 46 12.284 9.885 -11.302 Start of MODEL 20 1 H1 GLY 1 H GLY 1 13.079 -20.390 3.863 2 HA2 GLY 1 1HA GLY 1 12.830 -19.691 1.516 3 HA3 GLY 1 2HA GLY 1 13.004 -21.385 1.081 4 H SER 2 H SER 2 10.858 -18.917 2.194 5 HA SER 2 HA SER 2 8.610 -20.787 1.871 6 HB2 SER 2 1HB SER 2 8.731 -18.605 3.964 7 HB3 SER 2 2HB SER 2 7.438 -19.782 3.737 8 HG SER 2 HG SER 2 10.041 -20.716 4.165 9 H SER 3 H SER 3 9.597 -19.161 -0.150 10 HA SER 3 HA SER 3 8.230 -16.669 -0.306 11 HB2 SER 3 1HB SER 3 9.114 -16.484 -2.481 12 HB3 SER 3 2HB SER 3 10.321 -17.431 -1.610 13 HG SER 3 HG SER 3 10.028 -18.889 -3.079 14 H GLY 4 H GLY 4 6.611 -16.156 -2.000 15 HA2 GLY 4 1HA GLY 4 4.627 -18.335 -2.172 16 HA3 GLY 4 2HA GLY 4 4.227 -16.626 -2.091 17 H SER 5 H SER 5 4.694 -19.265 -4.117 18 HA SER 5 HA SER 5 5.736 -18.360 -6.458 19 HB2 SER 5 1HB SER 5 4.999 -20.618 -6.363 20 HB3 SER 5 2HB SER 5 3.342 -20.140 -5.993 21 HG SER 5 HG SER 5 4.736 -19.835 -8.440 22 H SER 6 H SER 6 2.275 -18.107 -5.626 23 HA SER 6 HA SER 6 2.046 -15.453 -6.604 24 HB2 SER 6 1HB SER 6 2.238 -16.614 -8.778 25 HB3 SER 6 2HB SER 6 0.850 -17.616 -8.356 26 HG SER 6 HG SER 6 0.567 -15.559 -9.667 27 H GLY 7 H GLY 7 -0.298 -14.759 -6.705 28 HA2 GLY 7 1HA GLY 7 -2.339 -16.366 -5.587 29 HA3 GLY 7 2HA GLY 7 -1.594 -15.403 -4.320 30 H THR 8 H THR 8 -3.580 -14.307 -4.003 31 HA THR 8 HA THR 8 -3.985 -12.137 -5.929 32 HB THR 8 HB THR 8 -6.419 -12.322 -5.777 33 HG1 THR 8 HG1 THR 8 -6.860 -13.347 -3.902 34 HG21 THR 8 3HG2 THR 8 -6.406 -14.876 -6.741 35 HG22 THR 8 1HG2 THR 8 -4.718 -14.408 -6.943 36 HG23 THR 8 2HG2 THR 8 -5.995 -13.442 -7.682 37 H ALA 9 H ALA 9 -4.619 -10.196 -5.037 38 HA ALA 9 HA ALA 9 -4.221 -9.948 -2.179 39 HB1 ALA 9 3HB ALA 9 -4.907 -7.445 -3.183 40 HB2 ALA 9 1HB ALA 9 -3.282 -8.058 -2.873 41 HB3 ALA 9 2HB ALA 9 -3.996 -8.220 -4.478 42 H GLU 10 H GLU 10 -5.829 -10.081 -0.770 43 HA GLU 10 HA GLU 10 -8.440 -10.539 -1.155 44 HB2 GLU 10 1HB GLU 10 -7.366 -10.462 1.063 45 HB3 GLU 10 2HB GLU 10 -7.359 -8.706 0.992 46 HG2 GLU 10 1HG GLU 10 -9.184 -9.291 2.345 47 HG3 GLU 10 2HG GLU 10 -9.869 -8.824 0.789 48 H LYS 11 H LYS 11 -6.857 -7.479 -1.605 49 HA LYS 11 HA LYS 11 -9.446 -6.276 -2.340 50 HB2 LYS 11 1HB LYS 11 -6.969 -4.843 -1.365 51 HB3 LYS 11 2HB LYS 11 -8.511 -4.097 -1.764 52 HG2 LYS 11 1HG LYS 11 -7.945 -5.987 0.508 53 HG3 LYS 11 2HG LYS 11 -8.319 -4.265 0.616 54 HD2 LYS 11 1HD LYS 11 -10.133 -6.527 -0.178 55 HD3 LYS 11 2HD LYS 11 -10.325 -5.381 1.151 56 HE2 LYS 11 1HE LYS 11 -10.299 -3.640 -0.848 57 HE3 LYS 11 2HE LYS 11 -10.861 -5.044 -1.753 58 HZ1 LYS 11 3HZ LYS 11 -12.162 -3.676 0.517 59 HZ2 LYS 11 1HZ LYS 11 -12.562 -5.271 0.118 60 HZ3 LYS 11 2HZ LYS 11 -12.798 -4.033 -1.010 61 HA PRO 12 HA PRO 12 -7.969 -5.731 -6.439 62 HB2 PRO 12 1HB PRO 12 -9.244 -3.441 -7.146 63 HB3 PRO 12 2HB PRO 12 -10.078 -4.989 -6.969 64 HG2 PRO 12 1HG PRO 12 -9.899 -2.702 -5.045 65 HG3 PRO 12 2HG PRO 12 -11.304 -3.694 -5.476 66 HD2 PRO 12 1HD PRO 12 -9.882 -4.091 -3.206 67 HD3 PRO 12 2HD PRO 12 -10.673 -5.418 -4.081 68 H PHE 13 H PHE 13 -7.634 -3.070 -4.172 69 HA PHE 13 HA PHE 13 -5.622 -1.780 -5.844 70 HB2 PHE 13 1HB PHE 13 -6.495 -0.884 -3.103 71 HB3 PHE 13 2HB PHE 13 -5.771 0.080 -4.386 72 HD1 PHE 13 HD2 PHE 13 -8.844 -1.493 -3.172 73 HD2 PHE 13 HD1 PHE 13 -7.095 0.922 -6.209 74 HE1 PHE 13 HE2 PHE 13 -11.088 -0.837 -3.937 75 HE2 PHE 13 HE1 PHE 13 -9.336 1.583 -6.979 76 HZ PHE 13 HZ PHE 13 -11.336 0.703 -5.844 77 H ARG 14 H ARG 14 -3.477 -1.790 -5.440 78 HA ARG 14 HA ARG 14 -2.459 -2.754 -2.896 79 HB2 ARG 14 1HB ARG 14 -2.807 -4.797 -4.270 80 HB3 ARG 14 2HB ARG 14 -1.720 -4.132 -5.482 81 HG2 ARG 14 1HG ARG 14 0.033 -4.038 -3.655 82 HG3 ARG 14 2HG ARG 14 -1.067 -5.028 -2.694 83 HD2 ARG 14 1HD ARG 14 0.585 -6.406 -3.847 84 HD3 ARG 14 2HD ARG 14 -1.045 -6.746 -4.426 85 HE ARG 14 HE ARG 14 -0.117 -4.887 -6.172 86 HH11 ARG 14 1HH1 ARG 14 1.077 -7.954 -5.039 87 HH12 ARG 14 2HH1 ARG 14 1.906 -8.324 -6.515 88 HH21 ARG 14 1HH2 ARG 14 0.970 -5.362 -8.120 89 HH22 ARG 14 2HH2 ARG 14 1.845 -6.849 -8.266 90 H CYS 15 H CYS 15 -0.504 -1.901 -2.385 91 HA CYS 15 HA CYS 15 0.569 0.089 -4.218 92 HB2 CYS 15 1HB CYS 15 0.178 0.707 -1.867 93 HB3 CYS 15 2HB CYS 15 1.310 -0.539 -1.352 94 H ASP 16 H ASP 16 2.079 -0.495 -5.619 95 HA ASP 16 HA ASP 16 3.641 -2.872 -5.299 96 HB2 ASP 16 1HB ASP 16 4.509 -2.417 -7.456 97 HB3 ASP 16 2HB ASP 16 2.834 -1.873 -7.500 98 H THR 17 H THR 17 3.888 -0.110 -3.697 99 HA THR 17 HA THR 17 6.772 0.254 -3.919 100 HB THR 17 HB THR 17 5.027 1.706 -1.951 101 HG1 THR 17 HG1 THR 17 4.543 3.196 -3.590 102 HG21 THR 17 3HG2 THR 17 6.813 3.468 -3.052 103 HG22 THR 17 1HG2 THR 17 7.729 1.962 -3.047 104 HG23 THR 17 2HG2 THR 17 7.053 2.588 -1.543 105 H CYS 18 H CYS 18 4.500 -0.139 -1.191 106 HA CYS 18 HA CYS 18 6.634 -1.541 0.268 107 HB2 CYS 18 1HB CYS 18 5.258 -1.018 2.300 108 HB3 CYS 18 2HB CYS 18 5.881 0.399 1.462 109 H ASP 19 H ASP 19 4.283 -2.378 -1.688 110 HA ASP 19 HA ASP 19 3.066 -4.270 -2.029 111 HB2 ASP 19 1HB ASP 19 5.005 -5.102 0.069 112 HB3 ASP 19 2HB ASP 19 3.621 -6.155 -0.214 113 H LYS 20 H LYS 20 1.860 -2.207 -0.606 114 HA LYS 20 HA LYS 20 0.362 -3.509 1.546 115 HB2 LYS 20 1HB LYS 20 0.919 -0.698 0.771 116 HB3 LYS 20 2HB LYS 20 -0.641 -1.017 1.519 117 HG2 LYS 20 1HG LYS 20 0.660 -2.189 3.363 118 HG3 LYS 20 2HG LYS 20 2.098 -1.438 2.668 119 HD2 LYS 20 1HD LYS 20 0.720 0.756 2.836 120 HD3 LYS 20 2HD LYS 20 -0.262 -0.152 3.988 121 HE2 LYS 20 1HE LYS 20 2.122 -0.734 4.987 122 HE3 LYS 20 2HE LYS 20 2.552 0.783 4.198 123 HZ1 LYS 20 3HZ LYS 20 1.394 0.504 6.661 124 HZ2 LYS 20 1HZ LYS 20 0.118 1.003 5.669 125 HZ3 LYS 20 2HZ LYS 20 1.524 1.938 5.773 126 H SER 21 H SER 21 -2.047 -2.463 1.536 127 HA SER 21 HA SER 21 -3.241 -2.475 -1.095 128 HB2 SER 21 1HB SER 21 -4.842 -4.360 -0.362 129 HB3 SER 21 2HB SER 21 -3.225 -4.821 -0.892 130 HG SER 21 HG SER 21 -2.861 -4.486 1.586 131 H PHE 22 H PHE 22 -5.301 -1.597 -1.130 132 HA PHE 22 HA PHE 22 -6.431 -0.771 1.454 133 HB2 PHE 22 1HB PHE 22 -6.135 0.993 -0.987 134 HB3 PHE 22 2HB PHE 22 -6.961 1.440 0.503 135 HD1 PHE 22 HD2 PHE 22 -3.646 0.106 -0.578 136 HD2 PHE 22 HD1 PHE 22 -5.796 2.728 1.994 137 HE1 PHE 22 HE2 PHE 22 -1.522 0.939 0.342 138 HE2 PHE 22 HE1 PHE 22 -3.675 3.566 2.918 139 HZ PHE 22 HZ PHE 22 -1.534 2.671 2.093 140 H ARG 23 H ARG 23 -8.710 0.236 1.024 141 HA ARG 23 HA ARG 23 -10.137 -1.661 -0.709 142 HB2 ARG 23 1HB ARG 23 -11.159 -0.048 1.636 143 HB3 ARG 23 2HB ARG 23 -12.101 -1.198 0.697 144 HG2 ARG 23 1HG ARG 23 -10.214 -2.866 1.398 145 HG3 ARG 23 2HG ARG 23 -9.943 -1.692 2.688 146 HD2 ARG 23 1HD ARG 23 -12.091 -1.994 3.569 147 HD3 ARG 23 2HD ARG 23 -12.683 -2.758 2.094 148 HE ARG 23 HE ARG 23 -11.820 -4.767 2.814 149 HH11 ARG 23 1HH1 ARG 23 -10.654 -2.185 4.837 150 HH12 ARG 23 2HH1 ARG 23 -9.980 -3.248 6.028 151 HH21 ARG 23 1HH2 ARG 23 -10.937 -6.176 4.375 152 HH22 ARG 23 2HH2 ARG 23 -10.140 -5.518 5.764 153 H GLN 24 H GLN 24 -9.805 1.746 0.095 154 HA GLN 24 HA GLN 24 -11.685 2.452 -2.041 155 HB2 GLN 24 1HB GLN 24 -10.379 4.378 -0.131 156 HB3 GLN 24 2HB GLN 24 -11.851 4.601 -1.068 157 HG2 GLN 24 1HG GLN 24 -11.645 2.508 1.066 158 HG3 GLN 24 2HG GLN 24 -12.080 4.176 1.433 159 HE21 GLN 24 1HE2 GLN 24 -13.774 2.063 1.967 160 HE22 GLN 24 2HE2 GLN 24 -15.156 2.168 0.936 161 H ARG 25 H ARG 25 -11.009 3.221 -3.937 162 HA ARG 25 HA ARG 25 -8.383 3.120 -4.787 163 HB2 ARG 25 1HB ARG 25 -10.541 3.308 -6.168 164 HB3 ARG 25 2HB ARG 25 -10.376 5.047 -5.960 165 HG2 ARG 25 1HG ARG 25 -8.248 5.027 -7.088 166 HG3 ARG 25 2HG ARG 25 -8.287 3.266 -7.195 167 HD2 ARG 25 1HD ARG 25 -10.213 5.180 -8.509 168 HD3 ARG 25 2HD ARG 25 -8.930 4.277 -9.314 169 HE ARG 25 HE ARG 25 -10.232 2.374 -9.217 170 HH11 ARG 25 1HH1 ARG 25 -11.680 4.920 -7.335 171 HH12 ARG 25 2HH1 ARG 25 -13.188 4.091 -7.134 172 HH21 ARG 25 1HH2 ARG 25 -12.213 1.273 -8.959 173 HH22 ARG 25 2HH2 ARG 25 -13.490 2.016 -8.058 174 H SER 26 H SER 26 -10.148 5.791 -3.337 175 HA SER 26 HA SER 26 -8.153 7.764 -3.842 176 HB2 SER 26 1HB SER 26 -10.439 8.457 -3.443 177 HB3 SER 26 2HB SER 26 -10.435 7.692 -1.854 178 HG SER 26 HG SER 26 -8.699 9.188 -1.326 179 H ALA 27 H ALA 27 -8.441 5.225 -1.588 180 HA ALA 27 HA ALA 27 -6.797 6.430 0.457 181 HB1 ALA 27 3HB ALA 27 -8.629 4.657 0.786 182 HB2 ALA 27 1HB ALA 27 -7.405 3.501 0.260 183 HB3 ALA 27 2HB ALA 27 -7.130 4.486 1.697 184 H LEU 28 H LEU 28 -6.383 4.199 -2.227 185 HA LEU 28 HA LEU 28 -3.621 3.658 -1.526 186 HB2 LEU 28 1HB LEU 28 -4.560 1.777 -2.445 187 HB3 LEU 28 2HB LEU 28 -5.530 2.695 -3.596 188 HG LEU 28 HG LEU 28 -3.111 3.206 -4.602 189 HD11 LEU 28 1HD1 LEU 28 -2.838 0.552 -3.205 190 HD12 LEU 28 2HD1 LEU 28 -1.834 1.986 -2.994 191 HD13 LEU 28 3HD1 LEU 28 -1.789 1.094 -4.515 192 HD21 LEU 28 3HD2 LEU 28 -4.069 0.532 -5.353 193 HD22 LEU 28 1HD2 LEU 28 -3.829 1.975 -6.339 194 HD23 LEU 28 2HD2 LEU 28 -5.295 1.800 -5.374 195 H ASN 29 H ASN 29 -5.374 5.219 -4.201 196 HA ASN 29 HA ASN 29 -3.227 6.045 -5.725 197 HB2 ASN 29 1HB ASN 29 -5.981 7.126 -5.286 198 HB3 ASN 29 2HB ASN 29 -4.833 8.083 -6.217 199 HD21 ASN 29 1HD2 ASN 29 -7.059 7.273 -7.449 200 HD22 ASN 29 2HD2 ASN 29 -6.718 6.013 -8.582 201 H SER 30 H SER 30 -4.367 7.285 -2.690 202 HA SER 30 HA SER 30 -2.711 9.674 -2.876 203 HB2 SER 30 1HB SER 30 -4.922 9.906 -1.862 204 HB3 SER 30 2HB SER 30 -4.520 8.680 -0.660 205 HG SER 30 HG SER 30 -2.730 10.165 -0.092 206 H HIS 31 H HIS 31 -2.803 6.579 -1.225 207 HA HIS 31 HA HIS 31 -0.740 7.076 0.635 208 HB2 HIS 31 1HB HIS 31 -2.080 5.200 1.091 209 HB3 HIS 31 2HB HIS 31 -1.911 4.569 -0.545 210 HD1 HIS 31 HD1 HIS 31 -0.150 4.733 2.751 211 HD2 HIS 31 HD2 HIS 31 0.385 3.043 -1.007 212 HE1 HIS 31 HE1 HIS 31 1.740 3.095 3.013 213 H ARG 32 H ARG 32 -0.730 5.950 -2.697 214 HA ARG 32 HA ARG 32 1.934 5.094 -2.846 215 HB2 ARG 32 1HB ARG 32 0.161 6.280 -4.988 216 HB3 ARG 32 2HB ARG 32 1.699 5.483 -5.294 217 HG2 ARG 32 1HG ARG 32 0.746 3.432 -4.219 218 HG3 ARG 32 2HG ARG 32 -0.815 4.256 -4.194 219 HD2 ARG 32 1HD ARG 32 0.830 3.748 -6.670 220 HD3 ARG 32 2HD ARG 32 -0.525 2.751 -6.142 221 HE ARG 32 HE ARG 32 -1.583 5.244 -6.279 222 HH11 ARG 32 1HH1 ARG 32 0.196 3.251 -8.510 223 HH12 ARG 32 2HH1 ARG 32 -0.562 3.920 -9.916 224 HH21 ARG 32 1HH2 ARG 32 -2.589 6.134 -8.122 225 HH22 ARG 32 2HH2 ARG 32 -2.146 5.560 -9.695 226 H MET 33 H MET 33 0.562 8.255 -2.714 227 HA MET 33 HA MET 33 2.666 9.701 -3.935 228 HB2 MET 33 1HB MET 33 0.698 10.602 -1.825 229 HB3 MET 33 2HB MET 33 1.701 11.662 -2.806 230 HG2 MET 33 1HG MET 33 0.531 10.461 -4.798 231 HG3 MET 33 2HG MET 33 -0.680 10.051 -3.586 232 HE1 MET 33 3HE MET 33 -2.839 12.814 -4.854 233 HE2 MET 33 1HE MET 33 -2.333 11.156 -5.180 234 HE3 MET 33 2HE MET 33 -2.842 11.619 -3.556 235 H ILE 34 H ILE 34 1.948 8.967 -0.530 236 HA ILE 34 HA ILE 34 3.911 10.307 0.779 237 HB ILE 34 HB ILE 34 3.691 8.843 2.551 238 HG12 ILE 34 1HG1 ILE 34 3.481 6.701 0.454 239 HG13 ILE 34 2HG1 ILE 34 4.641 6.847 1.770 240 HG21 ILE 34 1HG2 ILE 34 1.470 9.653 1.504 241 HG22 ILE 34 2HG2 ILE 34 1.247 7.959 1.068 242 HG23 ILE 34 3HG2 ILE 34 1.420 8.418 2.762 243 HD11 ILE 34 3HD1 ILE 34 2.974 5.036 2.066 244 HD12 ILE 34 1HD1 ILE 34 2.993 6.217 3.376 245 HD13 ILE 34 2HD1 ILE 34 1.717 6.270 2.159 246 H HIS 35 H HIS 35 4.301 7.480 -1.246 247 HA HIS 35 HA HIS 35 7.041 7.032 -0.484 248 HB2 HIS 35 1HB HIS 35 5.458 5.932 -2.816 249 HB3 HIS 35 2HB HIS 35 7.037 5.359 -2.289 250 HD1 HIS 35 HD1 HIS 35 6.752 4.924 0.624 251 HD2 HIS 35 HD2 HIS 35 3.665 4.081 -2.026 252 HE1 HIS 35 HE1 HIS 35 5.286 3.258 1.808 253 H THR 36 H THR 36 5.628 7.764 -3.676 254 HA THR 36 HA THR 36 7.956 8.585 -4.917 255 HB THR 36 HB THR 36 6.175 8.289 -6.378 256 HG1 THR 36 HG1 THR 36 6.073 10.216 -7.446 257 HG21 THR 36 3HG2 THR 36 4.616 9.266 -4.216 258 HG22 THR 36 1HG2 THR 36 4.065 8.471 -5.691 259 HG23 THR 36 2HG2 THR 36 4.224 10.227 -5.641 260 H GLY 37 H GLY 37 9.317 9.984 -3.932 261 HA2 GLY 37 1HA GLY 37 8.956 12.720 -4.076 262 HA3 GLY 37 2HA GLY 37 8.447 12.263 -2.457 263 H GLU 38 H GLU 38 9.959 11.795 -0.927 264 HA GLU 38 HA GLU 38 12.478 12.866 -1.059 265 HB2 GLU 38 1HB GLU 38 11.255 12.066 1.001 266 HB3 GLU 38 2HB GLU 38 11.788 10.439 0.599 267 HG2 GLU 38 1HG GLU 38 14.145 11.312 0.669 268 HG3 GLU 38 2HG GLU 38 13.487 12.801 1.345 269 H LYS 39 H LYS 39 13.787 12.412 -2.748 270 HA LYS 39 HA LYS 39 14.133 10.128 -4.175 271 HB2 LYS 39 1HB LYS 39 16.203 12.154 -3.328 272 HB3 LYS 39 2HB LYS 39 16.539 10.876 -4.489 273 HG2 LYS 39 1HG LYS 39 14.324 12.878 -4.843 274 HG3 LYS 39 2HG LYS 39 15.959 13.114 -5.465 275 HD2 LYS 39 1HD LYS 39 15.538 10.711 -6.482 276 HD3 LYS 39 2HD LYS 39 13.849 11.198 -6.327 277 HE2 LYS 39 1HE LYS 39 14.154 13.056 -7.751 278 HE3 LYS 39 2HE LYS 39 15.910 12.933 -7.661 279 HZ1 LYS 39 3HZ LYS 39 15.922 11.071 -9.036 280 HZ2 LYS 39 1HZ LYS 39 14.770 12.082 -9.753 281 HZ3 LYS 39 2HZ LYS 39 14.273 10.762 -8.818 282 HA PRO 40 HA PRO 40 15.731 7.056 -1.451 283 HB2 PRO 40 1HB PRO 40 16.832 5.399 -3.298 284 HB3 PRO 40 2HB PRO 40 15.088 5.530 -3.044 285 HG2 PRO 40 1HG PRO 40 16.798 6.806 -5.144 286 HG3 PRO 40 2HG PRO 40 15.207 6.039 -5.310 287 HD2 PRO 40 1HD PRO 40 15.524 8.726 -5.188 288 HD3 PRO 40 2HD PRO 40 14.089 7.903 -4.543 289 H SER 41 H SER 41 17.902 5.638 -1.430 290 HA SER 41 HA SER 41 20.044 7.597 -1.205 291 HB2 SER 41 1HB SER 41 19.374 5.793 0.565 292 HB3 SER 41 2HB SER 41 20.328 4.706 -0.445 293 HG SER 41 HG SER 41 22.069 5.580 0.326 294 H GLY 42 H GLY 42 19.697 4.300 -2.536 295 HA2 GLY 42 1HA GLY 42 21.561 5.082 -4.680 296 HA3 GLY 42 2HA GLY 42 21.827 3.595 -3.783 297 HA PRO 43 HA PRO 43 18.628 3.224 -7.374 298 HB2 PRO 43 1HB PRO 43 20.245 2.720 -9.496 299 HB3 PRO 43 2HB PRO 43 19.696 4.346 -9.071 300 HG2 PRO 43 1HG PRO 43 22.312 3.015 -8.481 301 HG3 PRO 43 2HG PRO 43 21.999 4.672 -9.030 302 HD2 PRO 43 1HD PRO 43 22.529 4.070 -6.444 303 HD3 PRO 43 2HD PRO 43 21.457 5.405 -6.913 304 H SER 44 H SER 44 17.833 1.246 -7.064 305 HA SER 44 HA SER 44 19.249 -1.082 -7.922 306 HB2 SER 44 1HB SER 44 18.877 -0.592 -4.970 307 HB3 SER 44 2HB SER 44 19.050 -2.218 -5.632 308 HG SER 44 HG SER 44 20.914 -0.109 -5.582 309 H SER 45 H SER 45 17.935 -3.074 -7.609 310 HA SER 45 HA SER 45 15.292 -2.666 -8.443 311 HB2 SER 45 1HB SER 45 16.815 -5.065 -7.469 312 HB3 SER 45 2HB SER 45 15.084 -5.183 -7.785 313 HG SER 45 HG SER 45 15.959 -5.657 -9.703 314 H GLY 46 H GLY 46 13.320 -3.471 -7.356 315 HA2 GLY 46 1HA GLY 46 12.224 -4.063 -5.267 316 HA3 GLY 46 2HA GLY 46 13.443 -3.114 -4.428
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