NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21114 | 2h3t | 7232 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 H GLY 1 13.558 0.292 -15.802 2 1HA GLY 1 1HA GLY 1 11.485 0.877 -13.769 3 2HA GLY 1 2HA GLY 1 12.380 -0.652 -13.837 4 HA PRO 2 HA PRO 2 14.681 2.411 -11.107 5 1HB PRO 2 1HB PRO 2 14.959 0.790 -8.901 6 2HB PRO 2 2HB PRO 2 13.513 1.810 -9.189 7 1HG PRO 2 1HG PRO 2 13.898 -1.124 -9.838 8 2HG PRO 2 2HG PRO 2 12.527 -0.355 -8.977 9 1HD PRO 2 1HD PRO 2 12.374 -0.934 -11.621 10 2HD PRO 2 2HD PRO 2 11.681 0.583 -10.981 11 H SER 3 H SER 3 16.981 2.272 -10.591 12 HA SER 3 HA SER 3 18.369 0.293 -12.249 13 1HB SER 3 1HB SER 3 20.349 1.723 -11.488 14 2HB SER 3 2HB SER 3 19.108 2.536 -12.457 15 HG SER 3 HG SER 3 19.917 3.012 -9.896 16 H GLN 4 H GLN 4 17.546 0.728 -8.902 17 HA GLN 4 HA GLN 4 19.165 -1.647 -8.148 18 1HB GLN 4 1HB GLN 4 19.732 -0.397 -5.995 19 2HB GLN 4 2HB GLN 4 20.637 -0.002 -7.452 20 1HG GLN 4 1HG GLN 4 19.369 2.062 -7.780 21 2HG GLN 4 2HG GLN 4 18.280 1.648 -6.461 22 1HE2 GLN 4 2HE2 GLN 4 21.683 2.475 -7.210 23 2HE2 GLN 4 1HE2 GLN 4 21.988 3.189 -5.639 24 HA PRO 5 HA PRO 5 14.713 -1.724 -6.805 25 1HB PRO 5 1HB PRO 5 14.248 -4.384 -7.393 26 2HB PRO 5 2HB PRO 5 14.050 -3.060 -8.577 27 1HG PRO 5 1HG PRO 5 16.383 -4.942 -8.215 28 2HG PRO 5 2HG PRO 5 15.607 -4.406 -9.731 29 1HD PRO 5 1HD PRO 5 17.920 -3.295 -8.781 30 2HD PRO 5 2HD PRO 5 16.712 -2.338 -9.690 31 H THR 6 H THR 6 14.143 -2.321 -4.709 32 HA THR 6 HA THR 6 16.245 -3.419 -3.042 33 HB THR 6 HB THR 6 14.601 -1.548 -2.479 34 HG1 THR 6 HG1 THR 6 14.444 -3.424 -0.433 35 1HG2 THR 6 1HG2 THR 6 12.727 -3.806 -1.694 36 2HG2 THR 6 2HG2 THR 6 12.509 -2.817 -3.135 37 3HG2 THR 6 3HG2 THR 6 12.456 -2.059 -1.530 38 H TYR 7 H TYR 7 16.080 -5.445 -1.841 39 HA TYR 7 HA TYR 7 14.069 -7.413 -2.840 40 1HB TYR 7 1HB TYR 7 16.154 -8.988 -2.764 41 2HB TYR 7 2HB TYR 7 15.913 -7.920 -4.130 42 HD1 TYR 7 HD1 TYR 7 17.615 -6.502 -4.828 43 HD2 TYR 7 HD2 TYR 7 17.739 -8.057 -0.808 44 HE1 TYR 7 HE1 TYR 7 19.892 -5.586 -4.553 45 HE2 TYR 7 HE2 TYR 7 20.002 -7.112 -0.509 46 HH TYR 7 HH TYR 7 21.849 -5.733 -3.195 47 HA PRO 8 HA PRO 8 13.826 -8.545 1.451 48 1HB PRO 8 1HB PRO 8 13.050 -11.139 1.402 49 2HB PRO 8 2HB PRO 8 12.040 -9.879 0.633 50 1HG PRO 8 1HG PRO 8 14.117 -11.665 -0.694 51 2HG PRO 8 2HG PRO 8 12.410 -11.457 -1.184 52 1HD PRO 8 1HD PRO 8 14.418 -10.049 -2.321 53 2HD PRO 8 2HD PRO 8 12.826 -9.297 -2.040 54 H GLY 9 H GLY 9 14.674 -10.568 2.978 55 1HA GLY 9 1HA GLY 9 16.473 -11.872 3.665 56 2HA GLY 9 2HA GLY 9 17.112 -11.808 2.033 57 HA PRO 11 HA PRO 11 13.036 3.247 1.950 58 1HB PRO 11 1HB PRO 11 11.026 2.385 0.278 59 2HB PRO 11 2HB PRO 11 12.758 2.340 -0.178 60 1HG PRO 11 1HG PRO 11 11.044 0.082 0.890 61 2HG PRO 11 2HG PRO 11 12.207 0.049 -0.476 62 1HD PRO 11 1HD PRO 11 12.839 -0.834 2.033 63 2HD PRO 11 2HD PRO 11 14.052 -0.066 0.972 64 H VAL 12 H VAL 12 11.204 4.521 2.711 65 HA VAL 12 HA VAL 12 9.174 2.991 4.212 66 HB VAL 12 HB VAL 12 9.625 5.435 5.524 67 1HG1 VAL 12 1HG1 VAL 12 8.845 3.289 6.470 68 2HG1 VAL 12 2HG1 VAL 12 10.462 2.596 6.245 69 3HG1 VAL 12 3HG1 VAL 12 10.214 3.928 7.407 70 1HG2 VAL 12 1HG2 VAL 12 11.918 5.254 6.391 71 2HG2 VAL 12 2HG2 VAL 12 12.305 4.055 5.153 72 3HG2 VAL 12 3HG2 VAL 12 11.885 5.713 4.682 73 H GLU 13 H GLU 13 9.965 6.054 2.473 74 HA GLU 13 HA GLU 13 7.299 7.003 2.697 75 1HB GLU 13 1HB GLU 13 9.409 8.324 2.045 76 2HB GLU 13 2HB GLU 13 9.279 7.604 0.445 77 1HG GLU 13 1HG GLU 13 8.221 9.713 0.264 78 2HG GLU 13 2HG GLU 13 6.879 8.581 0.382 79 H ASP 14 H ASP 14 8.975 5.363 -0.014 80 HA ASP 14 HA ASP 14 6.694 4.990 -1.640 81 1HB ASP 14 1HB ASP 14 9.287 3.406 -1.391 82 2HB ASP 14 2HB ASP 14 8.067 3.078 -2.625 83 H LEU 15 H LEU 15 7.763 3.272 1.201 84 HA LEU 15 HA LEU 15 6.327 0.797 0.749 85 1HB LEU 15 1HB LEU 15 8.424 1.096 2.148 86 2HB LEU 15 2HB LEU 15 7.446 1.980 3.319 87 HG LEU 15 HG LEU 15 6.032 -0.060 3.627 88 1HD1 LEU 15 1HD1 LEU 15 6.505 -1.237 1.508 89 2HD1 LEU 15 2HD1 LEU 15 6.992 -2.238 2.873 90 3HD1 LEU 15 3HD1 LEU 15 8.228 -1.369 1.941 91 1HD2 LEU 15 1HD2 LEU 15 9.025 -0.372 4.146 92 2HD2 LEU 15 2HD2 LEU 15 7.744 -1.259 4.985 93 3HD2 LEU 15 3HD2 LEU 15 7.880 0.504 5.178 94 H ILE 16 H ILE 16 5.784 3.577 3.045 95 HA ILE 16 HA ILE 16 3.146 2.587 3.668 96 HB ILE 16 HB ILE 16 2.828 4.616 4.909 97 1HG1 ILE 16 1HG1 ILE 16 5.298 5.648 3.467 98 2HG1 ILE 16 2HG1 ILE 16 3.674 6.301 3.434 99 1HG2 ILE 16 1HG2 ILE 16 4.256 2.722 5.766 100 2HG2 ILE 16 2HG2 ILE 16 5.696 3.654 5.312 101 3HG2 ILE 16 3HG2 ILE 16 4.571 4.277 6.535 102 1HD1 ILE 16 1HD1 ILE 16 5.548 6.271 5.823 103 2HD1 ILE 16 2HD1 ILE 16 5.119 7.656 4.825 104 3HD1 ILE 16 3HD1 ILE 16 3.872 6.894 5.833 105 H ARG 17 H ARG 17 4.373 4.798 1.157 106 HA ARG 17 HA ARG 17 1.810 5.833 0.438 107 1HB ARG 17 1HB ARG 17 3.975 6.889 -0.154 108 2HB ARG 17 2HB ARG 17 4.383 5.489 -1.167 109 1HG ARG 17 1HG ARG 17 2.484 5.996 -2.611 110 2HG ARG 17 2HG ARG 17 2.078 7.423 -1.652 111 1HD ARG 17 1HD ARG 17 4.172 8.505 -2.330 112 2HD ARG 17 2HD ARG 17 4.785 6.989 -2.997 113 HE ARG 17 HE ARG 17 3.466 7.141 -4.842 114 1HH1 ARG 17 1HH1 ARG 17 2.435 9.747 -2.628 115 2HH1 ARG 17 2HH1 ARG 17 1.325 10.408 -3.776 116 1HH2 ARG 17 1HH2 ARG 17 2.042 8.097 -6.336 117 2HH2 ARG 17 2HH2 ARG 17 1.094 9.460 -5.916 118 H PHE 18 H PHE 18 3.299 2.861 -0.210 119 HA PHE 18 HA PHE 18 1.520 2.053 -2.418 120 1HB PHE 18 1HB PHE 18 3.726 1.141 -2.370 121 2HB PHE 18 2HB PHE 18 3.586 0.628 -0.702 122 HD1 PHE 18 HD1 PHE 18 1.645 0.012 -3.902 123 HD2 PHE 18 HD2 PHE 18 3.546 -1.671 -0.403 124 HE1 PHE 18 HE1 PHE 18 1.051 -2.265 -4.663 125 HE2 PHE 18 HE2 PHE 18 2.945 -3.943 -1.182 126 HZ PHE 18 HZ PHE 18 1.700 -4.245 -3.308 127 H TYR 19 H TYR 19 1.792 1.635 1.088 128 HA TYR 19 HA TYR 19 -0.358 -0.200 1.399 129 1HB TYR 19 1HB TYR 19 1.666 0.706 2.978 130 2HB TYR 19 2HB TYR 19 0.342 1.630 3.658 131 HD1 TYR 19 HD1 TYR 19 -1.888 0.146 4.079 132 HD2 TYR 19 HD2 TYR 19 2.115 -1.426 3.803 133 HE1 TYR 19 HE1 TYR 19 -2.612 -1.900 5.286 134 HE2 TYR 19 HE2 TYR 19 1.416 -3.450 5.013 135 HH TYR 19 HH TYR 19 -0.312 -4.558 6.041 136 H ASN 20 H ASN 20 -0.166 3.336 1.984 137 HA ASN 20 HA ASN 20 -2.830 3.839 2.686 138 1HB ASN 20 1HB ASN 20 -0.668 5.541 1.404 139 2HB ASN 20 2HB ASN 20 -2.248 6.194 1.784 140 1HD2 ASN 20 2HD2 ASN 20 0.597 6.603 2.925 141 2HD2 ASN 20 1HD2 ASN 20 0.288 6.667 4.640 142 H ASP 21 H ASP 21 -1.391 3.702 -0.592 143 HA ASP 21 HA ASP 21 -3.587 4.803 -1.975 144 1HB ASP 21 1HB ASP 21 -1.285 4.483 -2.818 145 2HB ASP 21 2HB ASP 21 -1.574 2.747 -2.945 146 H LEU 22 H LEU 22 -3.195 1.621 -0.653 147 HA LEU 22 HA LEU 22 -5.648 0.756 -2.114 148 1HB LEU 22 1HB LEU 22 -3.584 -0.629 -2.469 149 2HB LEU 22 2HB LEU 22 -3.662 -1.063 -0.761 150 HG LEU 22 HG LEU 22 -5.966 -2.006 -1.143 151 1HD1 LEU 22 1HD1 LEU 22 -6.729 -2.445 -3.424 152 2HD1 LEU 22 2HD1 LEU 22 -5.335 -1.569 -4.099 153 3HD1 LEU 22 3HD1 LEU 22 -6.604 -0.714 -3.206 154 1HD2 LEU 22 1HD2 LEU 22 -3.938 -3.430 -1.233 155 2HD2 LEU 22 2HD2 LEU 22 -3.860 -3.178 -2.989 156 3HD2 LEU 22 3HD2 LEU 22 -5.249 -4.019 -2.273 157 H GLN 23 H GLN 23 -4.408 1.625 0.985 158 HA GLN 23 HA GLN 23 -6.196 0.375 2.699 159 1HB GLN 23 1HB GLN 23 -4.202 1.991 3.216 160 2HB GLN 23 2HB GLN 23 -5.338 3.303 2.943 161 1HG GLN 23 1HG GLN 23 -5.324 3.020 5.271 162 2HG GLN 23 2HG GLN 23 -6.806 2.207 4.777 163 1HE2 GLN 23 2HE2 GLN 23 -3.275 1.545 5.356 164 2HE2 GLN 23 1HE2 GLN 23 -3.568 -0.030 6.089 165 H GLN 24 H GLN 24 -6.623 3.297 0.769 166 HA GLN 24 HA GLN 24 -9.177 4.071 1.698 167 1HB GLN 24 1HB GLN 24 -9.342 5.222 -0.556 168 2HB GLN 24 2HB GLN 24 -7.886 5.544 0.364 169 1HG GLN 24 1HG GLN 24 -6.628 3.894 -1.046 170 2HG GLN 24 2HG GLN 24 -8.070 3.712 -2.047 171 1HE2 GLN 24 2HE2 GLN 24 -7.753 4.794 -3.915 172 2HE2 GLN 24 1HE2 GLN 24 -6.936 6.339 -4.084 173 H TYR 25 H TYR 25 -8.263 1.905 -0.941 174 HA TYR 25 HA TYR 25 -10.949 1.234 -1.756 175 1HB TYR 25 1HB TYR 25 -8.612 0.872 -2.930 176 2HB TYR 25 2HB TYR 25 -8.606 -0.645 -2.047 177 HD1 TYR 25 HD1 TYR 25 -10.685 1.419 -4.410 178 HD2 TYR 25 HD2 TYR 25 -9.668 -2.538 -3.033 179 HE1 TYR 25 HE1 TYR 25 -12.007 0.448 -6.252 180 HE2 TYR 25 HE2 TYR 25 -10.937 -3.516 -4.890 181 HH TYR 25 HH TYR 25 -11.679 -2.518 -7.402 182 H LEU 26 H LEU 26 -9.235 0.353 1.137 183 HA LEU 26 HA LEU 26 -11.101 -1.816 1.560 184 1HB LEU 26 1HB LEU 26 -8.898 -2.760 1.556 185 2HB LEU 26 2HB LEU 26 -8.176 -1.278 2.151 186 HG LEU 26 HG LEU 26 -9.103 -1.740 4.402 187 1HD1 LEU 26 1HD1 LEU 26 -9.330 -4.604 3.344 188 2HD1 LEU 26 2HD1 LEU 26 -10.748 -3.583 3.614 189 3HD1 LEU 26 3HD1 LEU 26 -9.710 -4.019 4.984 190 1HD2 LEU 26 1HD2 LEU 26 -6.757 -2.055 3.893 191 2HD2 LEU 26 2HD2 LEU 26 -7.080 -3.673 3.203 192 3HD2 LEU 26 3HD2 LEU 26 -7.304 -3.370 4.931 193 H ASN 27 H ASN 27 -10.791 1.307 2.326 194 HA ASN 27 HA ASN 27 -12.266 0.984 4.939 195 1HB ASN 27 1HB ASN 27 -10.075 2.151 5.152 196 2HB ASN 27 2HB ASN 27 -10.517 3.240 3.856 197 1HD2 ASN 27 2HD2 ASN 27 -10.852 5.252 4.744 198 2HD2 ASN 27 1HD2 ASN 27 -11.872 5.523 6.168 199 H VAL 28 H VAL 28 -12.096 2.678 1.843 200 HA VAL 28 HA VAL 28 -14.638 4.043 2.285 201 HB VAL 28 HB VAL 28 -12.749 4.097 -0.116 202 1HG1 VAL 28 1HG1 VAL 28 -14.959 4.975 -0.662 203 2HG1 VAL 28 2HG1 VAL 28 -14.911 6.037 0.780 204 3HG1 VAL 28 3HG1 VAL 28 -13.782 6.282 -0.573 205 1HG2 VAL 28 1HG2 VAL 28 -12.872 5.950 2.325 206 2HG2 VAL 28 2HG2 VAL 28 -11.520 4.886 1.882 207 3HG2 VAL 28 3HG2 VAL 28 -11.928 6.245 0.848 208 H VAL 29 H VAL 29 -13.392 1.146 0.374 209 HA VAL 29 HA VAL 29 -16.022 1.105 -1.004 210 HB VAL 29 HB VAL 29 -13.607 -0.698 -1.111 211 1HG1 VAL 29 1HG1 VAL 29 -14.674 -1.605 -3.196 212 2HG1 VAL 29 2HG1 VAL 29 -15.511 -2.047 -1.711 213 3HG1 VAL 29 3HG1 VAL 29 -16.171 -0.748 -2.725 214 1HG2 VAL 29 1HG2 VAL 29 -13.215 1.562 -2.103 215 2HG2 VAL 29 2HG2 VAL 29 -13.198 0.279 -3.311 216 3HG2 VAL 29 3HG2 VAL 29 -14.624 1.314 -3.156 217 H THR 30 H THR 30 -14.319 -0.583 1.595 218 HA THR 30 HA THR 30 -16.277 -2.551 2.059 219 HB THR 30 HB THR 30 -15.272 -2.520 4.309 220 HG1 THR 30 HG1 THR 30 -13.217 -1.115 4.190 221 1HG2 THR 30 1HG2 THR 30 -13.265 -2.572 1.978 222 2HG2 THR 30 2HG2 THR 30 -14.334 -3.913 2.436 223 3HG2 THR 30 3HG2 THR 30 -13.070 -3.394 3.542 224 H ARG 31 H ARG 31 -16.183 0.827 2.769 225 HA ARG 31 HA ARG 31 -18.125 0.978 4.785 226 1HB ARG 31 1HB ARG 31 -16.566 2.828 3.428 227 2HB ARG 31 2HB ARG 31 -18.135 3.157 2.717 228 1HG ARG 31 1HG ARG 31 -17.863 4.634 4.566 229 2HG ARG 31 2HG ARG 31 -19.050 3.420 5.085 230 1HD ARG 31 1HD ARG 31 -17.250 2.204 6.290 231 2HD ARG 31 2HD ARG 31 -16.052 3.368 5.702 232 HE ARG 31 HE ARG 31 -17.967 4.906 6.938 233 1HH1 ARG 31 1HH1 ARG 31 -15.801 2.257 7.910 234 2HH1 ARG 31 2HH1 ARG 31 -15.650 2.805 9.553 235 1HH2 ARG 31 1HH2 ARG 31 -17.738 5.623 9.182 236 2HH2 ARG 31 2HH2 ARG 31 -16.494 4.860 10.136 237 H HIS 32 H HIS 32 -18.524 0.101 1.598 238 HA HIS 32 HA HIS 32 -21.467 0.446 1.526 239 1HB HIS 32 1HB HIS 32 -19.282 0.051 -0.566 240 2HB HIS 32 2HB HIS 32 -20.947 -0.140 -0.918 241 HD1 HIS 32 HD1 HIS 32 -22.261 2.057 -1.487 242 HD2 HIS 32 HD2 HIS 32 -18.509 2.572 0.325 243 HE1 HIS 32 HE1 HIS 32 -21.794 4.559 -1.555 244 H ARG 33 H ARG 33 -20.660 -1.271 3.370 245 HA ARG 33 HA ARG 33 -20.473 -3.405 4.165 246 1HB ARG 33 1HB ARG 33 -22.754 -3.565 2.169 247 2HB ARG 33 2HB ARG 33 -22.445 -4.803 3.389 248 1HG ARG 33 1HG ARG 33 -22.781 -3.319 5.204 249 2HG ARG 33 2HG ARG 33 -22.793 -1.879 4.186 250 1HD ARG 33 1HD ARG 33 -24.914 -4.048 4.182 251 2HD ARG 33 2HD ARG 33 -25.044 -2.482 4.984 252 HE ARG 33 HE ARG 33 -24.985 -3.018 2.066 253 1HH1 ARG 33 1HH1 ARG 33 -25.527 -0.523 4.619 254 2HH1 ARG 33 2HH1 ARG 33 -26.245 0.576 3.517 255 1HH2 ARG 33 1HH2 ARG 33 -25.550 -1.431 0.664 256 2HH2 ARG 33 2HH2 ARG 33 -26.108 0.119 1.126 257 H TYR 34 H TYR 34 -18.587 -2.916 1.892 258 HA TYR 34 HA TYR 34 -18.532 -5.514 0.570 259 1HB TYR 34 1HB TYR 34 -17.821 -3.094 -0.314 260 2HB TYR 34 2HB TYR 34 -16.241 -3.640 0.252 261 HD1 TYR 34 HD1 TYR 34 -15.087 -5.496 -0.867 262 HD2 TYR 34 HD2 TYR 34 -19.038 -4.264 -2.099 263 HE1 TYR 34 HE1 TYR 34 -14.865 -6.852 -2.902 264 HE2 TYR 34 HE2 TYR 34 -18.824 -5.630 -4.152 265 HH TYR 34 HH TYR 34 -15.817 -7.394 -4.970 266 1HN NH2 35 1H NH2 35 -17.285 -4.198 3.556 267 2HN NH2 35 2H NH2 35 -16.191 -5.514 3.876 268 3HM EAB 10 3HM AZT 10 14.790 -0.679 3.213 269 2HM EAB 10 2HM AZT 10 15.542 0.274 4.467 270 HL EAB 10 HL AZT 10 12.239 0.407 5.642 271 HK2 EAB 10 HK2 AZT 10 11.466 -1.001 7.495 272 HJ2 EAB 10 HJ2 AZT 10 12.621 -3.140 8.052 273 HG1 EAB 10 HG1 AZT 10 16.923 -5.795 4.309 274 HG2 EAB 10 HG2 AZT 10 18.690 -8.826 6.801 275 HD2 EAB 10 HD2 AZT 10 17.604 -7.825 8.789 276 HE EAB 10 HE AZT 10 16.115 -5.837 8.542 277 2HA EAB 10 2HA AZT 10 19.410 -8.481 4.443 278 3HA EAB 10 3HA AZT 10 18.600 -7.271 3.413 279 1HN EAB 10 H AZT 10 16.527 -8.801 3.739 280 HJ1 EAB 10 HJ1 AZT 10 15.415 -2.394 4.854 Start of MODEL 2 1 1H GLY 1 H GLY 1 7.900 -4.195 -0.267 2 1HA GLY 1 1HA GLY 1 6.621 -6.551 -1.522 3 2HA GLY 1 2HA GLY 1 8.319 -6.428 -1.012 4 HA PRO 2 HA PRO 2 5.824 -8.419 2.374 5 1HB PRO 2 1HB PRO 2 7.504 -10.515 2.928 6 2HB PRO 2 2HB PRO 2 6.300 -10.549 1.603 7 1HG PRO 2 1HG PRO 2 9.251 -9.879 1.430 8 2HG PRO 2 2HG PRO 2 8.317 -11.004 0.397 9 1HD PRO 2 1HD PRO 2 8.850 -8.440 -0.363 10 2HD PRO 2 2HD PRO 2 7.284 -9.217 -0.761 11 H SER 3 H SER 3 6.095 -8.084 4.532 12 HA SER 3 HA SER 3 8.658 -7.541 5.805 13 1HB SER 3 1HB SER 3 6.429 -5.489 6.068 14 2HB SER 3 2HB SER 3 8.103 -5.370 6.601 15 HG SER 3 HG SER 3 7.910 -4.100 4.907 16 H GLN 4 H GLN 4 8.113 -7.174 8.259 17 HA GLN 4 HA GLN 4 5.513 -8.046 9.163 18 1HB GLN 4 1HB GLN 4 6.551 -10.211 8.545 19 2HB GLN 4 2HB GLN 4 7.936 -9.865 9.557 20 1HG GLN 4 1HG GLN 4 6.339 -11.469 10.554 21 2HG GLN 4 2HG GLN 4 6.573 -10.054 11.571 22 1HE2 GLN 4 2HE2 GLN 4 4.538 -10.471 12.660 23 2HE2 GLN 4 1HE2 GLN 4 3.024 -10.118 11.850 24 HA PRO 5 HA PRO 5 8.244 -5.174 11.642 25 1HB PRO 5 1HB PRO 5 6.575 -2.977 11.768 26 2HB PRO 5 2HB PRO 5 7.763 -3.258 10.468 27 1HG PRO 5 1HG PRO 5 4.804 -3.807 10.430 28 2HG PRO 5 2HG PRO 5 5.816 -3.102 9.142 29 1HD PRO 5 1HD PRO 5 5.045 -5.748 9.202 30 2HD PRO 5 2HD PRO 5 6.585 -5.192 8.487 31 H THR 6 H THR 6 8.147 -5.230 13.835 32 HA THR 6 HA THR 6 5.534 -5.540 15.193 33 HB THR 6 HB THR 6 6.757 -7.224 16.634 34 HG1 THR 6 HG1 THR 6 8.472 -8.289 15.666 35 1HG2 THR 6 1HG2 THR 6 6.236 -9.052 15.190 36 2HG2 THR 6 2HG2 THR 6 6.429 -8.065 13.729 37 3HG2 THR 6 3HG2 THR 6 5.083 -7.762 14.851 38 H TYR 7 H TYR 7 8.460 -3.784 15.028 39 HA TYR 7 HA TYR 7 7.911 -2.634 17.725 40 1HB TYR 7 1HB TYR 7 10.631 -3.211 16.528 41 2HB TYR 7 2HB TYR 7 10.324 -2.299 18.005 42 HD1 TYR 7 HD1 TYR 7 9.267 -3.441 19.994 43 HD2 TYR 7 HD2 TYR 7 10.535 -5.593 16.483 44 HE1 TYR 7 HE1 TYR 7 9.041 -5.577 21.224 45 HE2 TYR 7 HE2 TYR 7 10.335 -7.705 17.668 46 HH TYR 7 HH TYR 7 9.651 -8.758 19.643 47 HA PRO 8 HA PRO 8 7.855 0.710 14.515 48 1HB PRO 8 1HB PRO 8 5.831 2.202 15.609 49 2HB PRO 8 2HB PRO 8 5.541 0.803 14.535 50 1HG PRO 8 1HG PRO 8 5.388 0.908 17.550 51 2HG PRO 8 2HG PRO 8 4.295 0.081 16.406 52 1HD PRO 8 1HD PRO 8 6.332 -1.159 17.815 53 2HD PRO 8 2HD PRO 8 5.735 -1.743 16.233 54 H GLY 9 H GLY 9 9.789 1.745 15.039 55 1HA GLY 9 1HA GLY 9 10.316 3.861 16.412 56 2HA GLY 9 2HA GLY 9 10.287 2.738 17.788 57 HA PRO 11 HA PRO 11 12.126 6.485 2.678 58 1HB PRO 11 1HB PRO 11 11.657 4.370 1.010 59 2HB PRO 11 2HB PRO 11 13.298 4.749 1.594 60 1HG PRO 11 1HG PRO 11 11.337 2.726 2.761 61 2HG PRO 11 2HG PRO 11 13.052 2.459 2.301 62 1HD PRO 11 1HD PRO 11 12.404 3.006 4.859 63 2HD PRO 11 2HD PRO 11 13.848 3.721 4.111 64 H VAL 12 H VAL 12 10.370 6.381 4.782 65 HA VAL 12 HA VAL 12 7.977 4.977 4.740 66 HB VAL 12 HB VAL 12 8.650 7.680 5.961 67 1HG1 VAL 12 1HG1 VAL 12 6.954 7.229 7.605 68 2HG1 VAL 12 2HG1 VAL 12 6.187 7.084 6.029 69 3HG1 VAL 12 3HG1 VAL 12 6.631 5.624 6.941 70 1HG2 VAL 12 1HG2 VAL 12 9.079 6.307 8.046 71 2HG2 VAL 12 2HG2 VAL 12 9.001 4.842 7.044 72 3HG2 VAL 12 3HG2 VAL 12 10.265 6.059 6.793 73 H GLU 13 H GLU 13 8.808 8.068 3.052 74 HA GLU 13 HA GLU 13 5.994 8.500 2.508 75 1HB GLU 13 1HB GLU 13 8.534 9.861 1.491 76 2HB GLU 13 2HB GLU 13 6.905 10.394 1.069 77 1HG GLU 13 1HG GLU 13 6.348 10.835 3.384 78 2HG GLU 13 2HG GLU 13 7.835 10.092 3.969 79 H ASP 14 H ASP 14 7.728 6.146 1.445 80 HA ASP 14 HA ASP 14 6.392 5.929 -1.213 81 1HB ASP 14 1HB ASP 14 9.167 5.056 -0.310 82 2HB ASP 14 2HB ASP 14 8.275 4.230 -1.587 83 H LEU 15 H LEU 15 7.828 4.126 1.572 84 HA LEU 15 HA LEU 15 6.376 1.811 1.311 85 1HB LEU 15 1HB LEU 15 8.299 2.201 2.885 86 2HB LEU 15 2HB LEU 15 7.227 3.174 3.891 87 HG LEU 15 HG LEU 15 5.735 1.122 4.150 88 1HD1 LEU 15 1HD1 LEU 15 8.195 -0.305 3.031 89 2HD1 LEU 15 2HD1 LEU 15 6.602 -0.197 2.227 90 3HD1 LEU 15 3HD1 LEU 15 6.771 -1.077 3.740 91 1HD2 LEU 15 1HD2 LEU 15 8.560 0.927 5.228 92 2HD2 LEU 15 2HD2 LEU 15 7.113 0.145 5.895 93 3HD2 LEU 15 3HD2 LEU 15 7.248 1.910 5.916 94 H ILE 16 H ILE 16 5.284 4.757 3.276 95 HA ILE 16 HA ILE 16 2.858 3.217 3.902 96 HB ILE 16 HB ILE 16 2.038 4.959 5.131 97 1HG1 ILE 16 1HG1 ILE 16 3.995 6.893 3.868 98 2HG1 ILE 16 2HG1 ILE 16 2.250 6.871 3.745 99 1HG2 ILE 16 1HG2 ILE 16 3.797 5.239 6.802 100 2HG2 ILE 16 2HG2 ILE 16 3.917 3.639 6.062 101 3HG2 ILE 16 3HG2 ILE 16 5.039 4.915 5.570 102 1HD1 ILE 16 1HD1 ILE 16 3.850 7.475 6.256 103 2HD1 ILE 16 2HD1 ILE 16 2.866 8.592 5.302 104 3HD1 ILE 16 3HD1 ILE 16 2.089 7.275 6.203 105 H ARG 17 H ARG 17 3.904 5.454 1.392 106 HA ARG 17 HA ARG 17 1.246 6.071 0.518 107 1HB ARG 17 1HB ARG 17 3.418 7.304 0.005 108 2HB ARG 17 2HB ARG 17 3.818 5.995 -1.117 109 1HG ARG 17 1HG ARG 17 1.732 6.544 -2.416 110 2HG ARG 17 2HG ARG 17 1.460 7.922 -1.332 111 1HD ARG 17 1HD ARG 17 3.961 7.448 -3.011 112 2HD ARG 17 2HD ARG 17 2.634 8.510 -3.463 113 HE ARG 17 HE ARG 17 4.241 8.929 -0.960 114 1HH1 ARG 17 1HH1 ARG 17 3.494 10.097 -4.225 115 2HH1 ARG 17 2HH1 ARG 17 3.842 11.759 -3.829 116 1HH2 ARG 17 1HH2 ARG 17 4.766 11.265 -0.509 117 2HH2 ARG 17 2HH2 ARG 17 4.676 12.342 -1.841 118 H PHE 18 H PHE 18 3.380 3.515 -0.123 119 HA PHE 18 HA PHE 18 1.933 2.185 -2.177 120 1HB PHE 18 1HB PHE 18 4.244 1.581 -1.612 121 2HB PHE 18 2HB PHE 18 3.767 1.056 -0.009 122 HD1 PHE 18 HD1 PHE 18 4.016 0.098 -3.515 123 HD2 PHE 18 HD2 PHE 18 2.377 -1.016 0.317 124 HE1 PHE 18 HE1 PHE 18 3.508 -2.165 -4.388 125 HE2 PHE 18 HE2 PHE 18 1.867 -3.266 -0.554 126 HZ PHE 18 HZ PHE 18 2.390 -3.847 -2.919 127 H TYR 19 H TYR 19 1.780 1.922 1.368 128 HA TYR 19 HA TYR 19 -0.279 -0.100 1.359 129 1HB TYR 19 1HB TYR 19 1.431 0.650 3.244 130 2HB TYR 19 2HB TYR 19 0.164 1.775 3.697 131 HD1 TYR 19 HD1 TYR 19 -1.861 0.955 4.831 132 HD2 TYR 19 HD2 TYR 19 0.991 -1.803 3.157 133 HE1 TYR 19 HE1 TYR 19 -3.089 -0.935 5.862 134 HE2 TYR 19 HE2 TYR 19 -0.230 -3.708 4.185 135 HH TYR 19 HH TYR 19 -2.082 -4.349 5.428 136 H ASN 20 H ASN 20 -0.304 3.458 1.686 137 HA ASN 20 HA ASN 20 -3.069 3.756 2.223 138 1HB ASN 20 1HB ASN 20 -1.049 5.581 0.894 139 2HB ASN 20 2HB ASN 20 -2.682 6.072 1.352 140 1HD2 ASN 20 2HD2 ASN 20 -0.327 7.292 2.355 141 2HD2 ASN 20 1HD2 ASN 20 -0.347 7.074 4.103 142 H ASP 21 H ASP 21 -1.343 3.363 -0.868 143 HA ASP 21 HA ASP 21 -3.400 4.246 -2.607 144 1HB ASP 21 1HB ASP 21 -1.199 2.185 -3.004 145 2HB ASP 21 2HB ASP 21 -2.275 2.717 -4.279 146 H LEU 22 H LEU 22 -3.050 1.259 -0.795 147 HA LEU 22 HA LEU 22 -5.468 0.136 -2.135 148 1HB LEU 22 1HB LEU 22 -4.742 -2.061 -1.550 149 2HB LEU 22 2HB LEU 22 -3.486 -1.198 -2.414 150 HG LEU 22 HG LEU 22 -2.560 -0.708 0.032 151 1HD1 LEU 22 1HD1 LEU 22 -4.045 -3.345 0.451 152 2HD1 LEU 22 2HD1 LEU 22 -4.409 -1.838 1.296 153 3HD1 LEU 22 3HD1 LEU 22 -2.862 -2.608 1.570 154 1HD2 LEU 22 1HD2 LEU 22 -1.343 -1.859 -1.691 155 2HD2 LEU 22 2HD2 LEU 22 -2.232 -3.365 -1.349 156 3HD2 LEU 22 3HD2 LEU 22 -1.123 -2.657 -0.135 157 H GLN 23 H GLN 23 -4.152 0.977 1.076 158 HA GLN 23 HA GLN 23 -6.201 -0.186 2.618 159 1HB GLN 23 1HB GLN 23 -3.974 0.815 3.362 160 2HB GLN 23 2HB GLN 23 -4.727 2.403 3.212 161 1HG GLN 23 1HG GLN 23 -6.505 1.420 4.905 162 2HG GLN 23 2HG GLN 23 -5.306 0.130 5.153 163 1HE2 GLN 23 2HE2 GLN 23 -5.660 3.739 5.139 164 2HE2 GLN 23 1HE2 GLN 23 -4.412 4.040 6.325 165 H GLN 24 H GLN 24 -6.174 2.818 0.718 166 HA GLN 24 HA GLN 24 -8.399 4.065 1.974 167 1HB GLN 24 1HB GLN 24 -8.451 5.539 0.115 168 2HB GLN 24 2HB GLN 24 -6.784 5.173 0.534 169 1HG GLN 24 1HG GLN 24 -6.801 5.233 -1.799 170 2HG GLN 24 2HG GLN 24 -6.745 3.524 -1.401 171 1HE2 GLN 24 2HE2 GLN 24 -7.606 3.023 -3.531 172 2HE2 GLN 24 1HE2 GLN 24 -9.284 3.333 -3.898 173 H TYR 25 H TYR 25 -8.177 1.750 -0.623 174 HA TYR 25 HA TYR 25 -10.854 1.619 -1.527 175 1HB TYR 25 1HB TYR 25 -8.787 0.470 -2.509 176 2HB TYR 25 2HB TYR 25 -8.992 -0.769 -1.278 177 HD1 TYR 25 HD1 TYR 25 -10.310 0.662 -4.398 178 HD2 TYR 25 HD2 TYR 25 -10.984 -2.310 -1.327 179 HE1 TYR 25 HE1 TYR 25 -11.949 -0.477 -5.852 180 HE2 TYR 25 HE2 TYR 25 -12.668 -3.406 -2.772 181 HH TYR 25 HH TYR 25 -13.922 -1.969 -5.624 182 H LEU 26 H LEU 26 -9.440 -0.725 0.964 183 HA LEU 26 HA LEU 26 -11.889 -1.684 1.618 184 1HB LEU 26 1HB LEU 26 -10.596 -2.939 2.964 185 2HB LEU 26 2HB LEU 26 -9.282 -2.168 2.194 186 HG LEU 26 HG LEU 26 -9.360 -0.446 4.182 187 1HD1 LEU 26 1HD1 LEU 26 -10.772 -2.833 5.460 188 2HD1 LEU 26 2HD1 LEU 26 -11.449 -1.208 5.307 189 3HD1 LEU 26 3HD1 LEU 26 -10.042 -1.475 6.333 190 1HD2 LEU 26 1HD2 LEU 26 -7.852 -1.917 5.454 191 2HD2 LEU 26 2HD2 LEU 26 -7.532 -1.970 3.719 192 3HD2 LEU 26 3HD2 LEU 26 -8.403 -3.309 4.492 193 H ASN 27 H ASN 27 -10.333 1.175 2.917 194 HA ASN 27 HA ASN 27 -12.133 1.703 5.050 195 1HB ASN 27 1HB ASN 27 -9.810 2.536 4.640 196 2HB ASN 27 2HB ASN 27 -10.443 3.660 3.445 197 1HD2 ASN 27 2HD2 ASN 27 -10.409 5.715 4.363 198 2HD2 ASN 27 1HD2 ASN 27 -10.916 6.051 5.999 199 H VAL 28 H VAL 28 -12.472 2.351 1.689 200 HA VAL 28 HA VAL 28 -14.917 3.990 2.296 201 HB VAL 28 HB VAL 28 -12.977 4.409 -0.019 202 1HG1 VAL 28 1HG1 VAL 28 -15.258 5.116 -0.649 203 2HG1 VAL 28 2HG1 VAL 28 -15.378 6.097 0.832 204 3HG1 VAL 28 3HG1 VAL 28 -14.207 6.506 -0.444 205 1HG2 VAL 28 1HG2 VAL 28 -13.392 6.055 2.522 206 2HG2 VAL 28 2HG2 VAL 28 -11.917 5.180 2.043 207 3HG2 VAL 28 3HG2 VAL 28 -12.440 6.582 1.117 208 H VAL 29 H VAL 29 -13.657 1.468 0.129 209 HA VAL 29 HA VAL 29 -16.135 1.434 -1.345 210 HB VAL 29 HB VAL 29 -13.635 -0.250 -1.413 211 1HG1 VAL 29 1HG1 VAL 29 -14.807 -1.301 -3.451 212 2HG1 VAL 29 2HG1 VAL 29 -15.376 -1.857 -1.881 213 3HG1 VAL 29 3HG1 VAL 29 -16.320 -0.664 -2.802 214 1HG2 VAL 29 1HG2 VAL 29 -13.510 0.734 -3.659 215 2HG2 VAL 29 2HG2 VAL 29 -15.017 1.621 -3.385 216 3HG2 VAL 29 3HG2 VAL 29 -13.566 1.995 -2.425 217 H THR 30 H THR 30 -14.675 -1.086 0.667 218 HA THR 30 HA THR 30 -17.191 -2.339 1.064 219 HB THR 30 HB THR 30 -15.826 -3.519 2.872 220 HG1 THR 30 HG1 THR 30 -14.062 -1.947 2.922 221 1HG2 THR 30 1HG2 THR 30 -16.345 -4.487 0.662 222 2HG2 THR 30 2HG2 THR 30 -14.710 -4.927 1.175 223 3HG2 THR 30 3HG2 THR 30 -14.939 -3.654 -0.040 224 H ARG 31 H ARG 31 -15.604 0.257 2.857 225 HA ARG 31 HA ARG 31 -17.188 -0.138 5.208 226 1HB ARG 31 1HB ARG 31 -15.069 1.193 5.101 227 2HB ARG 31 2HB ARG 31 -15.948 2.445 4.201 228 1HG ARG 31 1HG ARG 31 -17.196 1.615 6.778 229 2HG ARG 31 2HG ARG 31 -15.613 2.333 6.950 230 1HD ARG 31 1HD ARG 31 -16.291 4.425 6.086 231 2HD ARG 31 2HD ARG 31 -17.676 3.733 5.234 232 HE ARG 31 HE ARG 31 -18.980 4.041 7.018 233 1HH1 ARG 31 1HH1 ARG 31 -15.631 4.135 8.260 234 2HH1 ARG 31 2HH1 ARG 31 -16.113 4.369 9.904 235 1HH2 ARG 31 1HH2 ARG 31 -19.602 4.192 9.237 236 2HH2 ARG 31 2HH2 ARG 31 -18.405 4.266 10.475 237 H HIS 32 H HIS 32 -17.948 1.128 2.220 238 HA HIS 32 HA HIS 32 -20.490 2.328 3.124 239 1HB HIS 32 1HB HIS 32 -18.801 2.491 0.648 240 2HB HIS 32 2HB HIS 32 -20.523 2.772 0.526 241 HD1 HIS 32 HD1 HIS 32 -21.601 4.770 1.973 242 HD2 HIS 32 HD2 HIS 32 -17.396 4.444 2.083 243 HE1 HIS 32 HE1 HIS 32 -20.719 6.896 3.045 244 H ARG 33 H ARG 33 -20.330 -0.169 3.743 245 HA ARG 33 HA ARG 33 -21.031 -2.350 3.516 246 1HB ARG 33 1HB ARG 33 -23.489 -0.738 2.788 247 2HB ARG 33 2HB ARG 33 -23.468 -2.360 3.496 248 1HG ARG 33 1HG ARG 33 -22.440 -1.524 5.564 249 2HG ARG 33 2HG ARG 33 -22.249 0.084 4.881 250 1HD ARG 33 1HD ARG 33 -24.150 0.134 6.324 251 2HD ARG 33 2HD ARG 33 -24.649 0.340 4.634 252 HE ARG 33 HE ARG 33 -24.735 -2.398 5.635 253 1HH1 ARG 33 1HH1 ARG 33 -26.582 0.622 5.217 254 2HH1 ARG 33 2HH1 ARG 33 -28.119 -0.163 5.020 255 1HH2 ARG 33 1HH2 ARG 33 -26.784 -3.428 5.566 256 2HH2 ARG 33 2HH2 ARG 33 -28.242 -2.518 5.324 257 H TYR 34 H TYR 34 -19.477 -2.243 1.461 258 HA TYR 34 HA TYR 34 -21.019 -3.297 -0.864 259 1HB TYR 34 1HB TYR 34 -19.652 -1.127 -1.081 260 2HB TYR 34 2HB TYR 34 -18.225 -2.131 -0.869 261 HD1 TYR 34 HD1 TYR 34 -17.254 -3.265 -2.722 262 HD2 TYR 34 HD2 TYR 34 -21.200 -1.543 -3.063 263 HE1 TYR 34 HE1 TYR 34 -17.177 -3.557 -5.160 264 HE2 TYR 34 HE2 TYR 34 -21.164 -1.927 -5.504 265 HH TYR 34 HH TYR 34 -19.788 -2.541 -7.361 266 1HN NH2 35 1H NH2 35 -19.457 -5.038 -2.089 267 2HN NH2 35 2H NH2 35 -18.805 -6.207 -0.965 268 3HM EAB 10 3HM AZT 10 14.230 4.800 5.894 269 2HM EAB 10 2HM AZT 10 14.042 6.415 6.539 270 HL EAB 10 HL AZT 10 11.494 3.596 6.675 271 HK2 EAB 10 HK2 AZT 10 10.722 2.668 8.793 272 HJ2 EAB 10 HJ2 AZT 10 11.736 3.408 10.945 273 HG1 EAB 10 HG1 AZT 10 13.175 3.343 14.251 274 HG2 EAB 10 HG2 AZT 10 16.486 4.760 16.628 275 HD2 EAB 10 HD2 AZT 10 17.208 6.183 14.726 276 HE EAB 10 HE AZT 10 15.919 6.182 12.594 277 2HA EAB 10 2HA AZT 10 14.852 3.325 17.627 278 3HA EAB 10 3HA AZT 10 14.546 2.000 16.468 279 1HN EAB 10 H AZT 10 12.622 4.093 17.390 280 HJ1 EAB 10 HJ1 AZT 10 14.295 6.127 8.806 Start of MODEL 3 1 1H GLY 1 H GLY 1 25.058 -19.431 7.503 2 1HA GLY 1 1HA GLY 1 23.786 -20.913 9.052 3 2HA GLY 1 2HA GLY 1 22.395 -19.846 8.735 4 HA PRO 2 HA PRO 2 23.493 -22.729 4.973 5 1HB PRO 2 1HB PRO 2 23.174 -25.345 5.599 6 2HB PRO 2 2HB PRO 2 24.676 -24.450 5.925 7 1HG PRO 2 1HG PRO 2 22.390 -24.967 7.852 8 2HG PRO 2 2HG PRO 2 24.131 -25.301 8.103 9 1HD PRO 2 1HD PRO 2 22.953 -23.005 8.997 10 2HD PRO 2 2HD PRO 2 24.626 -23.005 8.359 11 H SER 3 H SER 3 21.442 -21.283 4.979 12 HA SER 3 HA SER 3 19.089 -22.985 4.331 13 1HB SER 3 1HB SER 3 18.901 -21.777 6.551 14 2HB SER 3 2HB SER 3 19.072 -20.242 5.675 15 HG SER 3 HG SER 3 16.922 -20.508 5.719 16 H GLN 4 H GLN 4 17.535 -21.082 3.291 17 HA GLN 4 HA GLN 4 18.877 -19.457 1.298 18 1HB GLN 4 1HB GLN 4 17.674 -20.502 -0.630 19 2HB GLN 4 2HB GLN 4 19.046 -21.402 -0.004 20 1HG GLN 4 1HG GLN 4 17.678 -23.068 1.005 21 2HG GLN 4 2HG GLN 4 16.216 -22.097 0.842 22 1HE2 GLN 4 2HE2 GLN 4 15.271 -23.971 -0.180 23 2HE2 GLN 4 1HE2 GLN 4 15.571 -24.293 -1.898 24 HA PRO 5 HA PRO 5 14.721 -18.101 3.082 25 1HB PRO 5 1HB PRO 5 15.546 -15.538 3.767 26 2HB PRO 5 2HB PRO 5 15.604 -16.930 4.869 27 1HG PRO 5 1HG PRO 5 17.824 -15.772 3.168 28 2HG PRO 5 2HG PRO 5 17.892 -16.296 4.880 29 1HD PRO 5 1HD PRO 5 18.800 -17.851 2.839 30 2HD PRO 5 2HD PRO 5 17.972 -18.571 4.250 31 H THR 6 H THR 6 13.392 -17.550 1.263 32 HA THR 6 HA THR 6 14.616 -16.264 -1.000 33 HB THR 6 HB THR 6 11.625 -16.255 -0.635 34 HG1 THR 6 HG1 THR 6 11.477 -18.363 -1.181 35 1HG2 THR 6 1HG2 THR 6 11.659 -16.664 -2.979 36 2HG2 THR 6 2HG2 THR 6 13.355 -17.226 -2.949 37 3HG2 THR 6 3HG2 THR 6 12.976 -15.516 -2.710 38 H TYR 7 H TYR 7 15.145 -14.107 -0.939 39 HA TYR 7 HA TYR 7 15.160 -11.891 -0.469 40 1HB TYR 7 1HB TYR 7 12.212 -11.875 0.175 41 2HB TYR 7 2HB TYR 7 13.205 -10.657 -0.588 42 HD1 TYR 7 HD1 TYR 7 14.058 -11.147 -2.982 43 HD2 TYR 7 HD2 TYR 7 10.929 -13.416 -1.074 44 HE1 TYR 7 HE1 TYR 7 13.426 -12.103 -5.180 45 HE2 TYR 7 HE2 TYR 7 10.285 -14.371 -3.264 46 HH TYR 7 HH TYR 7 11.734 -13.357 -6.303 47 HA PRO 8 HA PRO 8 15.286 -13.116 4.045 48 1HB PRO 8 1HB PRO 8 17.793 -12.067 4.600 49 2HB PRO 8 2HB PRO 8 17.476 -13.730 4.045 50 1HG PRO 8 1HG PRO 8 18.327 -11.333 2.421 51 2HG PRO 8 2HG PRO 8 18.904 -13.031 2.314 52 1HD PRO 8 1HD PRO 8 17.070 -11.957 0.590 53 2HD PRO 8 2HD PRO 8 17.029 -13.679 1.066 54 H GLY 9 H GLY 9 15.229 -11.804 5.923 55 1HA GLY 9 1HA GLY 9 14.926 -8.872 5.456 56 2HA GLY 9 2HA GLY 9 13.778 -9.844 6.399 57 HA PRO 11 HA PRO 11 12.919 3.140 2.233 58 1HB PRO 11 1HB PRO 11 10.920 1.593 1.174 59 2HB PRO 11 2HB PRO 11 12.642 1.341 0.774 60 1HG PRO 11 1HG PRO 11 10.943 -0.179 2.762 61 2HG PRO 11 2HG PRO 11 12.125 -0.827 1.587 62 1HD PRO 11 1HD PRO 11 12.713 -0.423 4.245 63 2HD PRO 11 2HD PRO 11 13.936 -0.246 2.953 64 H VAL 12 H VAL 12 11.251 4.767 2.718 65 HA VAL 12 HA VAL 12 9.155 3.867 4.589 66 HB VAL 12 HB VAL 12 9.736 6.546 5.129 67 1HG1 VAL 12 1HG1 VAL 12 8.964 4.765 6.713 68 2HG1 VAL 12 2HG1 VAL 12 10.608 4.066 6.685 69 3HG1 VAL 12 3HG1 VAL 12 10.334 5.696 7.351 70 1HG2 VAL 12 1HG2 VAL 12 12.016 6.673 5.908 71 2HG2 VAL 12 2HG2 VAL 12 12.368 5.057 5.297 72 3HG2 VAL 12 3HG2 VAL 12 12.014 6.391 4.165 73 H GLU 13 H GLU 13 10.000 6.731 2.548 74 HA GLU 13 HA GLU 13 7.410 7.533 2.217 75 1HB GLU 13 1HB GLU 13 9.763 7.708 0.276 76 2HB GLU 13 2HB GLU 13 8.249 8.582 0.061 77 1HG GLU 13 1HG GLU 13 9.889 10.045 1.012 78 2HG GLU 13 2HG GLU 13 8.600 9.769 2.189 79 H ASP 14 H ASP 14 9.104 5.305 -0.058 80 HA ASP 14 HA ASP 14 6.705 5.001 -1.667 81 1HB ASP 14 1HB ASP 14 8.962 4.638 -2.602 82 2HB ASP 14 2HB ASP 14 9.195 3.249 -1.525 83 H LEU 15 H LEU 15 8.135 3.197 1.048 84 HA LEU 15 HA LEU 15 6.508 0.922 0.856 85 1HB LEU 15 1HB LEU 15 8.636 1.145 2.190 86 2HB LEU 15 2HB LEU 15 7.761 2.130 3.363 87 HG LEU 15 HG LEU 15 6.207 0.218 3.776 88 1HD1 LEU 15 1HD1 LEU 15 8.061 -1.215 1.819 89 2HD1 LEU 15 2HD1 LEU 15 6.299 -1.042 1.722 90 3HD1 LEU 15 3HD1 LEU 15 6.985 -2.065 2.960 91 1HD2 LEU 15 1HD2 LEU 15 8.153 0.577 5.226 92 2HD2 LEU 15 2HD2 LEU 15 9.153 -0.436 4.177 93 3HD2 LEU 15 3HD2 LEU 15 7.789 -1.147 5.066 94 H ILE 16 H ILE 16 6.012 3.967 2.761 95 HA ILE 16 HA ILE 16 3.511 2.957 3.878 96 HB ILE 16 HB ILE 16 3.142 5.158 4.739 97 1HG1 ILE 16 1HG1 ILE 16 5.381 6.115 2.941 98 2HG1 ILE 16 2HG1 ILE 16 3.685 6.593 2.917 99 1HG2 ILE 16 1HG2 ILE 16 4.728 3.681 5.907 100 2HG2 ILE 16 2HG2 ILE 16 6.086 4.455 5.074 101 3HG2 ILE 16 3HG2 ILE 16 5.082 5.389 6.181 102 1HD1 ILE 16 1HD1 ILE 16 4.865 8.390 3.864 103 2HD1 ILE 16 2HD1 ILE 16 4.038 7.595 5.215 104 3HD1 ILE 16 3HD1 ILE 16 5.770 7.330 4.942 105 H ARG 17 H ARG 17 4.468 4.962 1.017 106 HA ARG 17 HA ARG 17 1.764 5.543 0.372 107 1HB ARG 17 1HB ARG 17 3.662 6.832 -0.513 108 2HB ARG 17 2HB ARG 17 4.152 5.444 -1.500 109 1HG ARG 17 1HG ARG 17 2.016 5.568 -2.744 110 2HG ARG 17 2HG ARG 17 1.431 6.830 -1.669 111 1HD ARG 17 1HD ARG 17 2.158 7.842 -3.752 112 2HD ARG 17 2HD ARG 17 3.191 8.366 -2.428 113 HE ARG 17 HE ARG 17 4.992 7.474 -3.469 114 1HH1 ARG 17 1HH1 ARG 17 2.139 5.835 -4.830 115 2HH1 ARG 17 2HH1 ARG 17 3.067 4.666 -5.704 116 1HH2 ARG 17 1HH2 ARG 17 6.181 6.242 -5.010 117 2HH2 ARG 17 2HH2 ARG 17 5.414 4.934 -5.840 118 H PHE 18 H PHE 18 3.689 2.807 -0.186 119 HA PHE 18 HA PHE 18 1.797 1.534 -1.919 120 1HB PHE 18 1HB PHE 18 4.300 1.086 -1.952 121 2HB PHE 18 2HB PHE 18 4.118 0.168 -0.476 122 HD1 PHE 18 HD1 PHE 18 2.700 0.434 -3.944 123 HD2 PHE 18 HD2 PHE 18 3.841 -2.221 -0.748 124 HE1 PHE 18 HE1 PHE 18 2.219 -1.527 -5.393 125 HE2 PHE 18 HE2 PHE 18 3.345 -4.166 -2.182 126 HZ PHE 18 HZ PHE 18 2.586 -3.831 -4.533 127 H TYR 19 H TYR 19 1.046 2.285 0.940 128 HA TYR 19 HA TYR 19 -0.532 -0.139 1.423 129 1HB TYR 19 1HB TYR 19 1.479 0.011 3.041 130 2HB TYR 19 2HB TYR 19 0.671 1.399 3.758 131 HD1 TYR 19 HD1 TYR 19 -1.462 1.195 4.932 132 HD2 TYR 19 HD2 TYR 19 0.291 -2.269 3.040 133 HE1 TYR 19 HE1 TYR 19 -3.328 -0.183 5.732 134 HE2 TYR 19 HE2 TYR 19 -1.567 -3.663 3.864 135 HH TYR 19 HH TYR 19 -4.375 -2.231 5.632 136 H ASN 20 H ASN 20 0.111 3.281 2.208 137 HA ASN 20 HA ASN 20 -2.409 4.039 3.064 138 1HB ASN 20 1HB ASN 20 -0.289 5.631 1.551 139 2HB ASN 20 2HB ASN 20 -1.712 6.319 2.312 140 1HD2 ASN 20 2HD2 ASN 20 0.703 7.313 2.993 141 2HD2 ASN 20 1HD2 ASN 20 1.045 6.936 4.655 142 H ASP 21 H ASP 21 -1.156 3.912 -0.425 143 HA ASP 21 HA ASP 21 -3.619 5.230 -1.312 144 1HB ASP 21 1HB ASP 21 -1.493 5.488 -2.513 145 2HB ASP 21 2HB ASP 21 -1.513 3.775 -2.947 146 H LEU 22 H LEU 22 -2.380 1.891 -1.403 147 HA LEU 22 HA LEU 22 -4.676 0.708 -2.539 148 1HB LEU 22 1HB LEU 22 -2.323 -0.333 -0.944 149 2HB LEU 22 2HB LEU 22 -3.578 -1.424 -1.507 150 HG LEU 22 HG LEU 22 -2.097 0.398 -3.426 151 1HD1 LEU 22 1HD1 LEU 22 -1.471 -2.464 -2.601 152 2HD1 LEU 22 2HD1 LEU 22 -0.453 -1.035 -2.337 153 3HD1 LEU 22 3HD1 LEU 22 -0.733 -1.600 -3.987 154 1HD2 LEU 22 1HD2 LEU 22 -2.852 -1.329 -5.073 155 2HD2 LEU 22 2HD2 LEU 22 -4.169 -0.393 -4.364 156 3HD2 LEU 22 3HD2 LEU 22 -3.857 -2.048 -3.790 157 H GLN 23 H GLN 23 -4.563 2.133 0.442 158 HA GLN 23 HA GLN 23 -6.423 0.200 1.689 159 1HB GLN 23 1HB GLN 23 -4.604 0.795 3.121 160 2HB GLN 23 2HB GLN 23 -4.743 2.501 2.692 161 1HG GLN 23 1HG GLN 23 -6.918 2.603 3.976 162 2HG GLN 23 2HG GLN 23 -6.608 0.941 4.504 163 1HE2 GLN 23 2HE2 GLN 23 -5.378 0.759 6.407 164 2HE2 GLN 23 1HE2 GLN 23 -4.420 2.057 7.102 165 H GLN 24 H GLN 24 -6.511 3.309 0.004 166 HA GLN 24 HA GLN 24 -8.819 4.265 1.346 167 1HB GLN 24 1HB GLN 24 -9.108 5.836 -0.373 168 2HB GLN 24 2HB GLN 24 -7.374 5.591 -0.168 169 1HG GLN 24 1HG GLN 24 -7.404 4.121 -2.204 170 2HG GLN 24 2HG GLN 24 -9.112 4.511 -2.423 171 1HE2 GLN 24 2HE2 GLN 24 -9.379 6.047 -3.921 172 2HE2 GLN 24 1HE2 GLN 24 -8.304 7.417 -4.223 173 H TYR 25 H TYR 25 -8.646 2.228 -1.604 174 HA TYR 25 HA TYR 25 -11.558 1.906 -1.622 175 1HB TYR 25 1HB TYR 25 -10.169 1.976 -3.669 176 2HB TYR 25 2HB TYR 25 -9.503 0.409 -3.251 177 HD1 TYR 25 HD1 TYR 25 -12.994 1.916 -3.353 178 HD2 TYR 25 HD2 TYR 25 -10.384 -1.291 -4.600 179 HE1 TYR 25 HE1 TYR 25 -14.916 0.749 -4.358 180 HE2 TYR 25 HE2 TYR 25 -12.300 -2.429 -5.669 181 HH TYR 25 HH TYR 25 -15.654 -1.154 -5.500 182 H LEU 26 H LEU 26 -9.602 0.782 0.735 183 HA LEU 26 HA LEU 26 -11.039 -1.763 0.964 184 1HB LEU 26 1HB LEU 26 -8.710 -2.273 0.846 185 2HB LEU 26 2HB LEU 26 -8.262 -0.787 1.620 186 HG LEU 26 HG LEU 26 -9.113 -1.588 3.767 187 1HD1 LEU 26 1HD1 LEU 26 -9.473 -3.995 4.142 188 2HD1 LEU 26 2HD1 LEU 26 -9.155 -4.336 2.430 189 3HD1 LEU 26 3HD1 LEU 26 -10.615 -3.453 2.910 190 1HD2 LEU 26 1HD2 LEU 26 -6.722 -1.641 3.244 191 2HD2 LEU 26 2HD2 LEU 26 -6.908 -3.234 2.477 192 3HD2 LEU 26 3HD2 LEU 26 -7.157 -3.052 4.225 193 H ASN 27 H ASN 27 -10.778 1.462 1.939 194 HA ASN 27 HA ASN 27 -12.117 1.042 4.573 195 1HB ASN 27 1HB ASN 27 -10.077 2.338 4.640 196 2HB ASN 27 2HB ASN 27 -10.553 3.296 3.250 197 1HD2 ASN 27 2HD2 ASN 27 -11.221 5.315 3.741 198 2HD2 ASN 27 1HD2 ASN 27 -11.812 5.816 5.302 199 H VAL 28 H VAL 28 -12.353 2.619 1.413 200 HA VAL 28 HA VAL 28 -14.931 3.869 1.993 201 HB VAL 28 HB VAL 28 -13.335 3.548 -0.574 202 1HG1 VAL 28 1HG1 VAL 28 -14.824 5.343 -1.463 203 2HG1 VAL 28 2HG1 VAL 28 -15.696 3.842 -1.152 204 3HG1 VAL 28 3HG1 VAL 28 -15.838 5.196 -0.016 205 1HG2 VAL 28 1HG2 VAL 28 -12.835 5.948 -0.250 206 2HG2 VAL 28 2HG2 VAL 28 -13.774 5.965 1.255 207 3HG2 VAL 28 3HG2 VAL 28 -12.271 5.035 1.150 208 H VAL 29 H VAL 29 -13.814 0.892 0.200 209 HA VAL 29 HA VAL 29 -16.382 0.258 -0.720 210 HB VAL 29 HB VAL 29 -13.903 -0.470 -1.194 211 1HG1 VAL 29 1HG1 VAL 29 -13.414 -2.824 -0.809 212 2HG1 VAL 29 2HG1 VAL 29 -13.446 -1.907 0.695 213 3HG1 VAL 29 3HG1 VAL 29 -14.809 -2.966 0.259 214 1HG2 VAL 29 1HG2 VAL 29 -16.315 -2.260 -1.743 215 2HG2 VAL 29 2HG2 VAL 29 -15.878 -0.809 -2.669 216 3HG2 VAL 29 3HG2 VAL 29 -14.817 -2.228 -2.701 217 H THR 30 H THR 30 -14.653 -0.842 2.133 218 HA THR 30 HA THR 30 -16.483 -2.712 3.043 219 HB THR 30 HB THR 30 -15.429 -2.139 5.268 220 HG1 THR 30 HG1 THR 30 -14.744 -0.118 5.130 221 1HG2 THR 30 1HG2 THR 30 -14.489 -3.946 3.931 222 2HG2 THR 30 2HG2 THR 30 -13.184 -3.019 4.651 223 3HG2 THR 30 3HG2 THR 30 -13.591 -2.792 2.936 224 H ARG 31 H ARG 31 -16.462 0.784 3.547 225 HA ARG 31 HA ARG 31 -18.638 0.813 5.340 226 1HB ARG 31 1HB ARG 31 -16.842 2.632 4.618 227 2HB ARG 31 2HB ARG 31 -18.095 3.141 3.490 228 1HG ARG 31 1HG ARG 31 -18.219 4.499 5.463 229 2HG ARG 31 2HG ARG 31 -19.639 3.451 5.489 230 1HD ARG 31 1HD ARG 31 -18.587 1.984 7.146 231 2HD ARG 31 2HD ARG 31 -17.053 2.834 6.990 232 HE ARG 31 HE ARG 31 -19.520 3.744 8.356 233 1HH1 ARG 31 1HH1 ARG 31 -16.019 4.336 7.722 234 2HH1 ARG 31 2HH1 ARG 31 -15.968 5.655 8.824 235 1HH2 ARG 31 1HH2 ARG 31 -19.330 5.684 9.738 236 2HH2 ARG 31 2HH2 ARG 31 -17.761 6.349 9.961 237 H HIS 32 H HIS 32 -18.843 -0.218 2.202 238 HA HIS 32 HA HIS 32 -21.698 0.439 1.926 239 1HB HIS 32 1HB HIS 32 -19.407 0.268 -0.050 240 2HB HIS 32 2HB HIS 32 -21.039 -0.126 -0.526 241 HD1 HIS 32 HD1 HIS 32 -22.898 1.894 -0.347 242 HD2 HIS 32 HD2 HIS 32 -18.860 2.864 0.383 243 HE1 HIS 32 HE1 HIS 32 -22.799 4.434 -0.067 244 H ARG 33 H ARG 33 -20.471 -1.613 3.586 245 HA ARG 33 HA ARG 33 -20.843 -3.697 4.245 246 1HB ARG 33 1HB ARG 33 -23.030 -3.907 2.147 247 2HB ARG 33 2HB ARG 33 -22.811 -4.913 3.580 248 1HG ARG 33 1HG ARG 33 -23.181 -2.939 5.040 249 2HG ARG 33 2HG ARG 33 -23.379 -1.931 3.605 250 1HD ARG 33 1HD ARG 33 -25.359 -3.187 2.918 251 2HD ARG 33 2HD ARG 33 -25.163 -4.267 4.310 252 HE ARG 33 HE ARG 33 -26.106 -2.740 5.672 253 1HH1 ARG 33 1HH1 ARG 33 -25.110 -0.957 2.728 254 2HH1 ARG 33 2HH1 ARG 33 -25.605 0.562 3.371 255 1HH2 ARG 33 1HH2 ARG 33 -27.175 -0.763 6.230 256 2HH2 ARG 33 2HH2 ARG 33 -27.006 0.624 5.206 257 H TYR 34 H TYR 34 -18.595 -3.670 3.140 258 HA TYR 34 HA TYR 34 -18.460 -6.107 1.557 259 1HB TYR 34 1HB TYR 34 -18.594 -3.852 0.056 260 2HB TYR 34 2HB TYR 34 -16.886 -3.805 0.428 261 HD1 TYR 34 HD1 TYR 34 -15.374 -5.220 -0.898 262 HD2 TYR 34 HD2 TYR 34 -19.638 -5.942 -0.921 263 HE1 TYR 34 HE1 TYR 34 -15.102 -6.878 -2.726 264 HE2 TYR 34 HE2 TYR 34 -19.365 -7.578 -2.736 265 HH TYR 34 HH TYR 34 -17.888 -8.388 -4.351 266 1HN NH2 35 1H NH2 35 -15.719 -6.219 1.111 267 2HN NH2 35 2H NH2 35 -14.869 -5.961 2.596 268 3HM EAB 10 3HM AZT 10 15.434 0.578 4.686 269 2HM EAB 10 2HM AZT 10 15.632 1.901 5.826 270 HL EAB 10 HL AZT 10 12.208 1.091 6.259 271 HK2 EAB 10 HK2 AZT 10 11.338 -0.435 7.987 272 HJ2 EAB 10 HJ2 AZT 10 12.844 -1.986 9.183 273 HG1 EAB 10 HG1 AZT 10 14.859 -5.856 9.189 274 HG2 EAB 10 HG2 AZT 10 18.916 -7.202 8.982 275 HD2 EAB 10 HD2 AZT 10 19.711 -4.851 8.944 276 HE EAB 10 HE AZT 10 18.072 -2.989 9.016 277 2HA EAB 10 2HA AZT 10 15.704 -8.217 10.042 278 3HA EAB 10 3HA AZT 10 17.208 -8.747 9.246 279 1HN EAB 10 H AZT 10 14.941 -7.734 7.607 280 HJ1 EAB 10 HJ1 AZT 10 16.174 -0.468 6.911 Start of MODEL 4 1 1H GLY 1 H GLY 1 11.855 -21.812 -18.610 2 1HA GLY 1 1HA GLY 1 9.376 -21.816 -18.549 3 2HA GLY 1 2HA GLY 1 10.117 -21.517 -16.958 4 HA PRO 2 HA PRO 2 7.374 -17.897 -17.608 5 1HB PRO 2 1HB PRO 2 6.486 -17.622 -15.053 6 2HB PRO 2 2HB PRO 2 5.892 -18.949 -16.085 7 1HG PRO 2 1HG PRO 2 8.108 -19.056 -14.016 8 2HG PRO 2 2HG PRO 2 6.740 -20.185 -14.199 9 1HD PRO 2 1HD PRO 2 9.246 -20.621 -15.219 10 2HD PRO 2 2HD PRO 2 7.773 -21.248 -16.019 11 H SER 3 H SER 3 7.405 -15.685 -16.615 12 HA SER 3 HA SER 3 10.132 -14.873 -15.859 13 1HB SER 3 1HB SER 3 7.661 -13.151 -16.240 14 2HB SER 3 2HB SER 3 9.359 -12.676 -16.364 15 HG SER 3 HG SER 3 8.464 -12.841 -18.342 16 H GLN 4 H GLN 4 9.727 -12.747 -14.186 17 HA GLN 4 HA GLN 4 9.689 -12.349 -11.925 18 1HB GLN 4 1HB GLN 4 6.789 -12.753 -12.684 19 2HB GLN 4 2HB GLN 4 7.314 -11.981 -11.184 20 1HG GLN 4 1HG GLN 4 8.457 -10.201 -12.385 21 2HG GLN 4 2HG GLN 4 8.178 -11.002 -13.935 22 1HE2 GLN 4 2HE2 GLN 4 7.083 -8.358 -12.321 23 2HE2 GLN 4 1HE2 GLN 4 5.492 -8.349 -13.075 24 HA PRO 5 HA PRO 5 9.444 -16.775 -10.450 25 1HB PRO 5 1HB PRO 5 12.010 -17.010 -9.527 26 2HB PRO 5 2HB PRO 5 11.604 -17.191 -11.259 27 1HG PRO 5 1HG PRO 5 12.627 -14.724 -9.811 28 2HG PRO 5 2HG PRO 5 13.260 -15.461 -11.323 29 1HD PRO 5 1HD PRO 5 11.514 -13.377 -11.341 30 2HD PRO 5 2HD PRO 5 11.439 -14.669 -12.580 31 H THR 6 H THR 6 10.068 -17.558 -8.167 32 HA THR 6 HA THR 6 8.906 -15.696 -6.250 33 HB THR 6 HB THR 6 9.492 -17.506 -4.593 34 HG1 THR 6 HG1 THR 6 10.524 -18.749 -6.927 35 1HG2 THR 6 1HG2 THR 6 7.305 -17.514 -5.809 36 2HG2 THR 6 2HG2 THR 6 7.866 -19.124 -5.343 37 3HG2 THR 6 3HG2 THR 6 8.025 -18.591 -7.031 38 H TYR 7 H TYR 7 10.014 -14.619 -4.582 39 HA TYR 7 HA TYR 7 12.977 -14.487 -4.778 40 1HB TYR 7 1HB TYR 7 12.581 -12.052 -4.052 41 2HB TYR 7 2HB TYR 7 12.332 -12.496 -5.724 42 HD1 TYR 7 HD1 TYR 7 10.280 -12.039 -6.826 43 HD2 TYR 7 HD2 TYR 7 10.454 -11.916 -2.513 44 HE1 TYR 7 HE1 TYR 7 8.031 -10.998 -6.764 45 HE2 TYR 7 HE2 TYR 7 8.250 -10.852 -2.438 46 HH TYR 7 HH TYR 7 6.339 -10.115 -5.409 47 HA PRO 8 HA PRO 8 12.813 -15.505 -0.513 48 1HB PRO 8 1HB PRO 8 15.086 -14.422 0.521 49 2HB PRO 8 2HB PRO 8 15.139 -15.727 -0.704 50 1HG PRO 8 1HG PRO 8 15.363 -12.736 -1.178 51 2HG PRO 8 2HG PRO 8 16.469 -14.028 -1.755 52 1HD PRO 8 1HD PRO 8 14.464 -13.039 -3.311 53 2HD PRO 8 2HD PRO 8 14.896 -14.774 -3.359 54 H GLY 9 H GLY 9 12.834 -14.465 1.752 55 1HA GLY 9 1HA GLY 9 12.259 -11.613 1.852 56 2HA GLY 9 2HA GLY 9 10.868 -12.683 2.141 57 HA PRO 11 HA PRO 11 12.120 1.893 2.783 58 1HB PRO 11 1HB PRO 11 10.103 0.935 1.213 59 2HB PRO 11 2HB PRO 11 11.803 0.627 0.806 60 1HG PRO 11 1HG PRO 11 9.835 -1.266 2.072 61 2HG PRO 11 2HG PRO 11 11.116 -1.607 0.874 62 1HD PRO 11 1HD PRO 11 11.301 -2.007 3.639 63 2HD PRO 11 2HD PRO 11 12.698 -1.857 2.539 64 H VAL 12 H VAL 12 10.910 3.257 4.200 65 HA VAL 12 HA VAL 12 8.552 2.002 5.479 66 HB VAL 12 HB VAL 12 9.275 4.170 6.990 67 1HG1 VAL 12 1HG1 VAL 12 10.123 1.277 7.481 68 2HG1 VAL 12 2HG1 VAL 12 9.834 2.534 8.715 69 3HG1 VAL 12 3HG1 VAL 12 8.485 1.918 7.760 70 1HG2 VAL 12 1HG2 VAL 12 11.575 3.891 7.745 71 2HG2 VAL 12 2HG2 VAL 12 11.902 2.754 6.441 72 3HG2 VAL 12 3HG2 VAL 12 11.506 4.456 6.073 73 H GLU 13 H GLU 13 9.738 5.345 4.913 74 HA GLU 13 HA GLU 13 7.203 6.340 4.329 75 1HB GLU 13 1HB GLU 13 9.413 7.480 4.899 76 2HB GLU 13 2HB GLU 13 9.785 7.428 3.174 77 1HG GLU 13 1HG GLU 13 7.841 8.826 2.666 78 2HG GLU 13 2HG GLU 13 7.263 8.701 4.340 79 H ASP 14 H ASP 14 9.470 4.720 2.229 80 HA ASP 14 HA ASP 14 8.079 5.378 -0.230 81 1HB ASP 14 1HB ASP 14 10.527 5.077 -0.119 82 2HB ASP 14 2HB ASP 14 10.282 3.394 0.320 83 H LEU 15 H LEU 15 7.834 2.872 2.185 84 HA LEU 15 HA LEU 15 6.488 0.997 0.344 85 1HB LEU 15 1HB LEU 15 8.070 0.166 2.072 86 2HB LEU 15 2HB LEU 15 7.051 0.809 3.347 87 HG LEU 15 HG LEU 15 5.187 -0.690 2.535 88 1HD1 LEU 15 1HD1 LEU 15 7.385 -1.887 0.789 89 2HD1 LEU 15 2HD1 LEU 15 5.903 -1.106 0.204 90 3HD1 LEU 15 3HD1 LEU 15 5.801 -2.628 1.078 91 1HD2 LEU 15 1HD2 LEU 15 6.574 -1.313 4.424 92 2HD2 LEU 15 2HD2 LEU 15 7.736 -2.100 3.330 93 3HD2 LEU 15 3HD2 LEU 15 6.075 -2.729 3.489 94 H ILE 16 H ILE 16 5.724 3.032 3.210 95 HA ILE 16 HA ILE 16 3.054 2.165 3.502 96 HB ILE 16 HB ILE 16 2.650 4.166 4.790 97 1HG1 ILE 16 1HG1 ILE 16 5.372 5.130 3.822 98 2HG1 ILE 16 2HG1 ILE 16 3.814 5.854 3.460 99 1HG2 ILE 16 1HG2 ILE 16 3.836 2.189 5.722 100 2HG2 ILE 16 2HG2 ILE 16 5.386 2.995 5.447 101 3HG2 ILE 16 3HG2 ILE 16 4.200 3.697 6.555 102 1HD1 ILE 16 1HD1 ILE 16 4.921 7.165 5.162 103 2HD1 ILE 16 2HD1 ILE 16 3.498 6.375 5.874 104 3HD1 ILE 16 3HD1 ILE 16 5.138 5.751 6.195 105 H ARG 17 H ARG 17 4.366 4.525 1.167 106 HA ARG 17 HA ARG 17 1.812 5.588 0.528 107 1HB ARG 17 1HB ARG 17 2.893 6.203 -1.711 108 2HB ARG 17 2HB ARG 17 3.652 6.837 -0.256 109 1HG ARG 17 1HG ARG 17 5.486 5.344 -0.391 110 2HG ARG 17 2HG ARG 17 4.694 4.314 -1.598 111 1HD ARG 17 1HD ARG 17 5.240 5.670 -3.343 112 2HD ARG 17 2HD ARG 17 5.043 7.144 -2.423 113 HE ARG 17 HE ARG 17 7.478 5.431 -2.444 114 1HH1 ARG 17 1HH1 ARG 17 6.044 8.626 -1.584 115 2HH1 ARG 17 2HH1 ARG 17 7.600 9.369 -1.411 116 1HH2 ARG 17 1HH2 ARG 17 9.376 6.413 -2.303 117 2HH2 ARG 17 2HH2 ARG 17 9.585 8.117 -1.933 118 H PHE 18 H PHE 18 3.008 2.524 -0.239 119 HA PHE 18 HA PHE 18 1.088 2.172 -2.488 120 1HB PHE 18 1HB PHE 18 2.953 0.218 -1.083 121 2HB PHE 18 2HB PHE 18 1.893 -0.182 -2.431 122 HD1 PHE 18 HD1 PHE 18 5.110 1.262 -1.488 123 HD2 PHE 18 HD2 PHE 18 2.190 1.004 -4.651 124 HE1 PHE 18 HE1 PHE 18 6.804 2.037 -3.112 125 HE2 PHE 18 HE2 PHE 18 3.898 1.764 -6.275 126 HZ PHE 18 HZ PHE 18 6.211 2.284 -5.505 127 H TYR 19 H TYR 19 1.543 1.338 0.947 128 HA TYR 19 HA TYR 19 -0.828 -0.274 1.052 129 1HB TYR 19 1HB TYR 19 1.311 -0.123 2.694 130 2HB TYR 19 2HB TYR 19 0.220 0.911 3.596 131 HD1 TYR 19 HD1 TYR 19 -1.562 -0.103 4.909 132 HD2 TYR 19 HD2 TYR 19 0.463 -2.382 1.859 133 HE1 TYR 19 HE1 TYR 19 -2.850 -2.102 5.562 134 HE2 TYR 19 HE2 TYR 19 -0.778 -4.422 2.551 135 HH TYR 19 HH TYR 19 -3.346 -4.346 5.031 136 H ASN 20 H ASN 20 -0.126 3.015 2.237 137 HA ASN 20 HA ASN 20 -2.634 3.667 3.338 138 1HB ASN 20 1HB ASN 20 -0.431 5.320 2.026 139 2HB ASN 20 2HB ASN 20 -1.845 6.065 2.734 140 1HD2 ASN 20 2HD2 ASN 20 0.915 6.433 3.608 141 2HD2 ASN 20 1HD2 ASN 20 0.929 5.922 5.290 142 H ASP 21 H ASP 21 -1.509 3.636 0.001 143 HA ASP 21 HA ASP 21 -3.780 5.089 -1.077 144 1HB ASP 21 1HB ASP 21 -1.600 5.119 -2.178 145 2HB ASP 21 2HB ASP 21 -1.605 3.361 -2.320 146 H LEU 22 H LEU 22 -2.738 1.623 -1.036 147 HA LEU 22 HA LEU 22 -5.149 0.627 -2.206 148 1HB LEU 22 1HB LEU 22 -3.039 -0.599 -0.384 149 2HB LEU 22 2HB LEU 22 -4.418 -1.529 -0.952 150 HG LEU 22 HG LEU 22 -2.519 -0.149 -2.868 151 1HD1 LEU 22 1HD1 LEU 22 -1.379 -2.270 -3.155 152 2HD1 LEU 22 2HD1 LEU 22 -2.451 -3.054 -1.980 153 3HD1 LEU 22 3HD1 LEU 22 -1.294 -1.802 -1.455 154 1HD2 LEU 22 1HD2 LEU 22 -3.468 -1.780 -4.488 155 2HD2 LEU 22 2HD2 LEU 22 -4.743 -0.775 -3.807 156 3HD2 LEU 22 3HD2 LEU 22 -4.522 -2.435 -3.226 157 H GLN 23 H GLN 23 -4.404 1.730 1.009 158 HA GLN 23 HA GLN 23 -6.441 0.452 2.486 159 1HB GLN 23 1HB GLN 23 -4.368 1.853 3.257 160 2HB GLN 23 2HB GLN 23 -5.455 3.239 3.127 161 1HG GLN 23 1HG GLN 23 -6.982 2.121 4.749 162 2HG GLN 23 2HG GLN 23 -5.853 0.762 4.854 163 1HE2 GLN 23 2HE2 GLN 23 -6.726 2.732 6.979 164 2HE2 GLN 23 1HE2 GLN 23 -5.203 3.332 7.625 165 H GLN 24 H GLN 24 -6.462 3.356 0.367 166 HA GLN 24 HA GLN 24 -8.997 4.349 1.262 167 1HB GLN 24 1HB GLN 24 -7.757 4.555 -1.524 168 2HB GLN 24 2HB GLN 24 -9.112 5.504 -0.909 169 1HG GLN 24 1HG GLN 24 -7.562 6.422 0.881 170 2HG GLN 24 2HG GLN 24 -6.230 5.606 0.053 171 1HE2 GLN 24 2HE2 GLN 24 -8.696 8.156 -0.264 172 2HE2 GLN 24 1HE2 GLN 24 -7.902 8.997 -1.603 173 H TYR 25 H TYR 25 -8.038 2.022 -1.315 174 HA TYR 25 HA TYR 25 -10.773 1.429 -2.118 175 1HB TYR 25 1HB TYR 25 -8.551 1.207 -3.454 176 2HB TYR 25 2HB TYR 25 -8.320 -0.297 -2.576 177 HD1 TYR 25 HD1 TYR 25 -10.674 1.557 -4.832 178 HD2 TYR 25 HD2 TYR 25 -9.341 -2.304 -3.455 179 HE1 TYR 25 HE1 TYR 25 -12.067 0.457 -6.559 180 HE2 TYR 25 HE2 TYR 25 -10.746 -3.403 -5.126 181 HH TYR 25 HH TYR 25 -12.131 -3.084 -6.978 182 H LEU 26 H LEU 26 -9.038 0.601 0.775 183 HA LEU 26 HA LEU 26 -10.749 -1.697 1.153 184 1HB LEU 26 1HB LEU 26 -8.536 -2.500 1.217 185 2HB LEU 26 2HB LEU 26 -7.901 -1.005 1.820 186 HG LEU 26 HG LEU 26 -8.812 -1.499 4.036 187 1HD1 LEU 26 1HD1 LEU 26 -9.092 -4.349 2.910 188 2HD1 LEU 26 2HD1 LEU 26 -10.464 -3.338 3.384 189 3HD1 LEU 26 3HD1 LEU 26 -9.321 -3.882 4.607 190 1HD2 LEU 26 1HD2 LEU 26 -6.760 -3.429 2.888 191 2HD2 LEU 26 2HD2 LEU 26 -6.987 -3.071 4.620 192 3HD2 LEU 26 3HD2 LEU 26 -6.452 -1.791 3.517 193 H ASN 27 H ASN 27 -10.765 1.453 1.785 194 HA ASN 27 HA ASN 27 -12.176 1.089 4.420 195 1HB ASN 27 1HB ASN 27 -10.205 2.510 4.655 196 2HB ASN 27 2HB ASN 27 -10.688 3.479 3.261 197 1HD2 ASN 27 2HD2 ASN 27 -11.072 5.496 4.254 198 2HD2 ASN 27 1HD2 ASN 27 -12.229 5.681 5.574 199 H VAL 28 H VAL 28 -12.158 2.715 1.255 200 HA VAL 28 HA VAL 28 -14.802 3.894 1.676 201 HB VAL 28 HB VAL 28 -13.124 3.601 -0.849 202 1HG1 VAL 28 1HG1 VAL 28 -14.442 5.479 -1.754 203 2HG1 VAL 28 2HG1 VAL 28 -15.473 4.083 -1.444 204 3HG1 VAL 28 3HG1 VAL 28 -15.483 5.459 -0.326 205 1HG2 VAL 28 1HG2 VAL 28 -13.473 5.989 1.017 206 2HG2 VAL 28 2HG2 VAL 28 -12.013 4.991 0.947 207 3HG2 VAL 28 3HG2 VAL 28 -12.485 5.957 -0.454 208 H VAL 29 H VAL 29 -13.528 0.893 0.279 209 HA VAL 29 HA VAL 29 -15.974 0.202 -1.021 210 HB VAL 29 HB VAL 29 -13.416 -0.473 -1.308 211 1HG1 VAL 29 1HG1 VAL 29 -12.983 -2.822 -0.778 212 2HG1 VAL 29 2HG1 VAL 29 -13.091 -1.810 0.671 213 3HG1 VAL 29 3HG1 VAL 29 -14.455 -2.877 0.207 214 1HG2 VAL 29 1HG2 VAL 29 -15.730 -2.335 -1.967 215 2HG2 VAL 29 2HG2 VAL 29 -15.288 -0.894 -2.892 216 3HG2 VAL 29 3HG2 VAL 29 -14.168 -2.261 -2.813 217 H THR 30 H THR 30 -14.401 -0.910 1.936 218 HA THR 30 HA THR 30 -16.392 -2.565 2.904 219 HB THR 30 HB THR 30 -15.185 -2.114 5.101 220 HG1 THR 30 HG1 THR 30 -14.225 -0.256 4.987 221 1HG2 THR 30 1HG2 THR 30 -13.429 -2.867 2.717 222 2HG2 THR 30 2HG2 THR 30 -14.509 -3.979 3.579 223 3HG2 THR 30 3HG2 THR 30 -13.123 -3.256 4.412 224 H ARG 31 H ARG 31 -16.073 0.948 3.375 225 HA ARG 31 HA ARG 31 -18.067 1.121 5.368 226 1HB ARG 31 1HB ARG 31 -16.455 2.959 4.421 227 2HB ARG 31 2HB ARG 31 -17.757 3.274 3.280 228 1HG ARG 31 1HG ARG 31 -19.282 3.655 5.320 229 2HG ARG 31 2HG ARG 31 -17.834 3.506 6.333 230 1HD ARG 31 1HD ARG 31 -16.767 5.340 5.008 231 2HD ARG 31 2HD ARG 31 -18.254 5.417 4.026 232 HE ARG 31 HE ARG 31 -18.585 5.847 6.898 233 1HH1 ARG 31 1HH1 ARG 31 -18.032 7.388 3.729 234 2HH1 ARG 31 2HH1 ARG 31 -18.879 8.849 4.098 235 1HH2 ARG 31 1HH2 ARG 31 -19.707 7.805 7.415 236 2HH2 ARG 31 2HH2 ARG 31 -19.873 9.078 6.271 237 H HIS 32 H HIS 32 -18.496 0.054 2.259 238 HA HIS 32 HA HIS 32 -21.408 0.294 2.439 239 1HB HIS 32 1HB HIS 32 -19.582 1.396 0.365 240 2HB HIS 32 2HB HIS 32 -20.876 0.429 -0.269 241 HD1 HIS 32 HD1 HIS 32 -23.319 1.524 -0.281 242 HD2 HIS 32 HD2 HIS 32 -20.321 3.623 1.828 243 HE1 HIS 32 HE1 HIS 32 -24.375 3.702 0.469 244 H ARG 33 H ARG 33 -18.994 -1.829 2.574 245 HA ARG 33 HA ARG 33 -20.644 -4.110 1.942 246 1HB ARG 33 1HB ARG 33 -19.853 -3.276 -0.365 247 2HB ARG 33 2HB ARG 33 -18.253 -3.852 0.075 248 1HG ARG 33 1HG ARG 33 -19.226 -6.161 0.334 249 2HG ARG 33 2HG ARG 33 -20.823 -5.510 -0.066 250 1HD ARG 33 1HD ARG 33 -20.207 -5.092 -2.322 251 2HD ARG 33 2HD ARG 33 -18.480 -5.269 -1.967 252 HE ARG 33 HE ARG 33 -19.836 -7.682 -1.305 253 1HH1 ARG 33 1HH1 ARG 33 -18.844 -5.888 -4.254 254 2HH1 ARG 33 2HH1 ARG 33 -18.631 -7.329 -5.172 255 1HH2 ARG 33 1HH2 ARG 33 -19.281 -9.529 -2.483 256 2HH2 ARG 33 2HH2 ARG 33 -18.821 -9.437 -4.149 257 H TYR 34 H TYR 34 -19.048 -3.288 4.328 258 HA TYR 34 HA TYR 34 -16.592 -4.753 4.412 259 1HB TYR 34 1HB TYR 34 -17.119 -3.010 6.075 260 2HB TYR 34 2HB TYR 34 -18.486 -3.954 6.661 261 HD1 TYR 34 HD1 TYR 34 -18.152 -5.869 8.135 262 HD2 TYR 34 HD2 TYR 34 -14.743 -3.804 6.469 263 HE1 TYR 34 HE1 TYR 34 -16.630 -7.255 9.515 264 HE2 TYR 34 HE2 TYR 34 -13.235 -5.173 7.837 265 HH TYR 34 HH TYR 34 -13.081 -6.855 9.472 266 1HN NH2 35 1H NH2 35 -16.206 -6.870 5.393 267 2HN NH2 35 2H NH2 35 -17.510 -8.004 5.663 268 3HM EAB 10 3HM AZT 10 14.494 -1.543 4.114 269 2HM EAB 10 2HM AZT 10 14.685 -0.757 5.675 270 HL EAB 10 HL AZT 10 11.430 -1.049 6.251 271 HK2 EAB 10 HK2 AZT 10 10.291 -2.950 7.328 272 HJ2 EAB 10 HJ2 AZT 10 11.280 -5.217 7.269 273 HG1 EAB 10 HG1 AZT 10 12.106 -9.185 6.309 274 HG2 EAB 10 HG2 AZT 10 15.636 -11.509 5.504 275 HD2 EAB 10 HD2 AZT 10 17.007 -9.445 5.541 276 HE EAB 10 HE AZT 10 15.939 -7.249 5.953 277 2HA EAB 10 2HA AZT 10 12.061 -11.641 6.444 278 3HA EAB 10 3HA AZT 10 13.515 -12.591 6.017 279 1HN EAB 10 H AZT 10 12.289 -10.853 3.942 280 HJ1 EAB 10 HJ1 AZT 10 14.704 -3.676 5.160 Start of MODEL 5 1 1H GLY 1 H GLY 1 -9.836 -21.292 0.898 2 1HA GLY 1 1HA GLY 1 -12.687 -21.532 1.682 3 2HA GLY 1 2HA GLY 1 -11.433 -20.819 2.696 4 HA PRO 2 HA PRO 2 -13.175 -17.496 -0.125 5 1HB PRO 2 1HB PRO 2 -14.467 -15.891 1.656 6 2HB PRO 2 2HB PRO 2 -15.228 -17.344 0.937 7 1HG PRO 2 1HG PRO 2 -13.886 -17.094 3.648 8 2HG PRO 2 2HG PRO 2 -15.474 -17.822 3.250 9 1HD PRO 2 1HD PRO 2 -13.185 -19.312 3.533 10 2HD PRO 2 2HD PRO 2 -14.476 -19.765 2.394 11 H SER 3 H SER 3 -11.163 -17.699 2.741 12 HA SER 3 HA SER 3 -10.290 -14.924 2.710 13 1HB SER 3 1HB SER 3 -9.169 -17.343 4.197 14 2HB SER 3 2HB SER 3 -8.929 -15.639 4.589 15 HG SER 3 HG SER 3 -11.370 -15.628 4.662 16 H GLN 4 H GLN 4 -8.184 -14.219 2.304 17 HA GLN 4 HA GLN 4 -6.382 -16.029 0.749 18 1HB GLN 4 1HB GLN 4 -7.209 -13.176 0.061 19 2HB GLN 4 2HB GLN 4 -5.965 -14.095 -0.773 20 1HG GLN 4 1HG GLN 4 -8.896 -14.883 -0.666 21 2HG GLN 4 2HG GLN 4 -8.123 -13.995 -1.975 22 1HE2 GLN 4 2HE2 GLN 4 -9.182 -15.960 -3.073 23 2HE2 GLN 4 1HE2 GLN 4 -8.088 -17.297 -3.364 24 HA PRO 5 HA PRO 5 -4.249 -13.659 4.184 25 1HB PRO 5 1HB PRO 5 -3.156 -15.738 5.590 26 2HB PRO 5 2HB PRO 5 -4.839 -15.182 5.834 27 1HG PRO 5 1HG PRO 5 -3.892 -17.462 4.080 28 2HG PRO 5 2HG PRO 5 -5.178 -17.499 5.332 29 1HD PRO 5 1HD PRO 5 -5.771 -17.139 2.703 30 2HD PRO 5 2HD PRO 5 -6.649 -16.243 3.975 31 H THR 6 H THR 6 -1.760 -13.695 4.613 32 HA THR 6 HA THR 6 -0.166 -14.992 2.503 33 HB THR 6 HB THR 6 1.047 -12.772 2.364 34 HG1 THR 6 HG1 THR 6 0.074 -10.951 2.985 35 1HG2 THR 6 1HG2 THR 6 -0.465 -11.829 0.681 36 2HG2 THR 6 2HG2 THR 6 -1.787 -12.837 1.290 37 3HG2 THR 6 3HG2 THR 6 -0.375 -13.593 0.530 38 H TYR 7 H TYR 7 2.289 -14.497 3.081 39 HA TYR 7 HA TYR 7 2.761 -14.407 5.967 40 1HB TYR 7 1HB TYR 7 4.287 -16.400 5.658 41 2HB TYR 7 2HB TYR 7 2.582 -16.755 5.611 42 HD1 TYR 7 HD1 TYR 7 1.474 -17.525 3.511 43 HD2 TYR 7 HD2 TYR 7 5.684 -16.577 3.619 44 HE1 TYR 7 HE1 TYR 7 1.788 -18.677 1.348 45 HE2 TYR 7 HE2 TYR 7 6.002 -17.725 1.462 46 HH TYR 7 HH TYR 7 3.355 -19.341 -0.325 47 HA PRO 8 HA PRO 8 6.120 -11.948 4.383 48 1HB PRO 8 1HB PRO 8 7.915 -12.015 6.461 49 2HB PRO 8 2HB PRO 8 6.352 -11.144 6.551 50 1HG PRO 8 1HG PRO 8 6.982 -13.933 7.568 51 2HG PRO 8 2HG PRO 8 6.165 -12.599 8.441 52 1HD PRO 8 1HD PRO 8 4.774 -14.584 7.201 53 2HD PRO 8 2HD PRO 8 4.182 -12.900 7.190 54 H GLY 9 H GLY 9 8.465 -12.159 3.735 55 1HA GLY 9 1HA GLY 9 9.023 -14.908 2.858 56 2HA GLY 9 2HA GLY 9 9.812 -13.424 2.323 57 HA PRO 11 HA PRO 11 12.830 -0.264 1.139 58 1HB PRO 11 1HB PRO 11 11.184 -1.169 -0.791 59 2HB PRO 11 2HB PRO 11 12.945 -1.445 -0.889 60 1HG PRO 11 1HG PRO 11 10.788 -3.400 -0.106 61 2HG PRO 11 2HG PRO 11 12.271 -3.687 -1.048 62 1HD PRO 11 1HD PRO 11 11.972 -4.223 1.680 63 2HD PRO 11 2HD PRO 11 13.541 -3.971 0.868 64 H VAL 12 H VAL 12 11.699 0.451 3.107 65 HA VAL 12 HA VAL 12 8.996 -0.685 3.567 66 HB VAL 12 HB VAL 12 9.668 0.878 5.741 67 1HG1 VAL 12 1HG1 VAL 12 9.826 -1.287 6.949 68 2HG1 VAL 12 2HG1 VAL 12 8.506 -1.276 5.764 69 3HG1 VAL 12 3HG1 VAL 12 10.011 -2.131 5.402 70 1HG2 VAL 12 1HG2 VAL 12 11.752 0.273 6.656 71 2HG2 VAL 12 2HG2 VAL 12 12.144 -0.791 5.301 72 3HG2 VAL 12 3HG2 VAL 12 12.079 0.976 5.068 73 H GLU 13 H GLU 13 10.810 2.440 3.386 74 HA GLU 13 HA GLU 13 8.519 4.086 3.741 75 1HB GLU 13 1HB GLU 13 10.809 4.860 3.924 76 2HB GLU 13 2HB GLU 13 11.133 4.497 2.225 77 1HG GLU 13 1HG GLU 13 9.597 6.253 1.498 78 2HG GLU 13 2HG GLU 13 9.065 6.517 3.162 79 H ASP 14 H ASP 14 10.090 2.857 0.784 80 HA ASP 14 HA ASP 14 8.187 3.957 -1.031 81 1HB ASP 14 1HB ASP 14 10.481 3.250 -1.610 82 2HB ASP 14 2HB ASP 14 10.048 1.558 -1.316 83 H LEU 15 H LEU 15 8.143 1.035 0.930 84 HA LEU 15 HA LEU 15 6.101 -0.321 -0.639 85 1HB LEU 15 1HB LEU 15 7.748 -1.595 0.717 86 2HB LEU 15 2HB LEU 15 7.087 -0.909 2.199 87 HG LEU 15 HG LEU 15 5.072 -2.136 0.379 88 1HD1 LEU 15 1HD1 LEU 15 6.926 -3.706 0.036 89 2HD1 LEU 15 2HD1 LEU 15 5.582 -4.445 0.919 90 3HD1 LEU 15 3HD1 LEU 15 7.040 -3.943 1.795 91 1HD2 LEU 15 1HD2 LEU 15 4.201 -3.112 2.467 92 2HD2 LEU 15 2HD2 LEU 15 4.438 -1.380 2.654 93 3HD2 LEU 15 3HD2 LEU 15 5.613 -2.504 3.353 94 H ILE 16 H ILE 16 6.144 1.353 2.584 95 HA ILE 16 HA ILE 16 3.340 1.079 2.932 96 HB ILE 16 HB ILE 16 3.473 2.687 4.714 97 1HG1 ILE 16 1HG1 ILE 16 6.257 3.285 3.681 98 2HG1 ILE 16 2HG1 ILE 16 4.918 4.391 3.934 99 1HG2 ILE 16 1HG2 ILE 16 5.825 0.759 4.814 100 2HG2 ILE 16 2HG2 ILE 16 4.850 1.368 6.173 101 3HG2 ILE 16 3HG2 ILE 16 4.121 0.296 4.984 102 1HD1 ILE 16 1HD1 ILE 16 6.520 4.754 5.684 103 2HD1 ILE 16 2HD1 ILE 16 5.127 3.932 6.426 104 3HD1 ILE 16 3HD1 ILE 16 6.617 3.030 6.058 105 H ARG 17 H ARG 17 5.166 3.558 1.100 106 HA ARG 17 HA ARG 17 2.935 5.269 0.908 107 1HB ARG 17 1HB ARG 17 5.451 5.637 0.190 108 2HB ARG 17 2HB ARG 17 4.958 4.858 -1.319 109 1HG ARG 17 1HG ARG 17 3.041 6.844 -1.092 110 2HG ARG 17 2HG ARG 17 4.387 7.594 -0.245 111 1HD ARG 17 1HD ARG 17 4.226 6.642 -3.113 112 2HD ARG 17 2HD ARG 17 4.486 8.283 -2.540 113 HE ARG 17 HE ARG 17 6.699 7.730 -1.861 114 1HH1 ARG 17 1HH1 ARG 17 5.157 5.171 -3.881 115 2HH1 ARG 17 2HH1 ARG 17 6.646 4.585 -4.493 116 1HH2 ARG 17 1HH2 ARG 17 8.680 6.675 -2.446 117 2HH2 ARG 17 2HH2 ARG 17 8.639 5.216 -3.412 118 H PHE 18 H PHE 18 3.530 2.370 -0.724 119 HA PHE 18 HA PHE 18 1.413 2.790 -2.760 120 1HB PHE 18 1HB PHE 18 3.346 1.476 -3.424 121 2HB PHE 18 2HB PHE 18 3.203 0.429 -2.021 122 HD1 PHE 18 HD1 PHE 18 1.915 1.128 -5.395 123 HD2 PHE 18 HD2 PHE 18 1.403 -1.278 -1.849 124 HE1 PHE 18 HE1 PHE 18 0.464 -0.426 -6.654 125 HE2 PHE 18 HE2 PHE 18 -0.071 -2.819 -3.110 126 HZ PHE 18 HZ PHE 18 -0.547 -2.410 -5.502 127 H TYR 19 H TYR 19 2.017 1.124 0.295 128 HA TYR 19 HA TYR 19 -0.405 -0.403 0.340 129 1HB TYR 19 1HB TYR 19 1.786 -0.657 1.734 130 2HB TYR 19 2HB TYR 19 1.053 0.483 2.840 131 HD1 TYR 19 HD1 TYR 19 -0.822 -0.177 4.258 132 HD2 TYR 19 HD2 TYR 19 0.672 -2.851 1.222 133 HE1 TYR 19 HE1 TYR 19 -2.323 -1.967 5.088 134 HE2 TYR 19 HE2 TYR 19 -0.798 -4.637 2.050 135 HH TYR 19 HH TYR 19 -3.455 -4.049 3.898 136 H ASN 20 H ASN 20 0.451 2.744 1.630 137 HA ASN 20 HA ASN 20 -1.884 3.254 3.112 138 1HB ASN 20 1HB ASN 20 0.432 4.770 2.298 139 2HB ASN 20 2HB ASN 20 -0.966 5.728 1.838 140 1HD2 ASN 20 2HD2 ASN 20 1.140 5.495 4.266 141 2HD2 ASN 20 1HD2 ASN 20 0.125 5.794 5.644 142 H ASP 21 H ASP 21 -1.289 3.705 -0.382 143 HA ASP 21 HA ASP 21 -3.740 5.133 -0.890 144 1HB ASP 21 1HB ASP 21 -1.631 3.752 -2.529 145 2HB ASP 21 2HB ASP 21 -3.218 3.889 -3.261 146 H LEU 22 H LEU 22 -2.898 1.675 -0.861 147 HA LEU 22 HA LEU 22 -5.441 0.771 -1.794 148 1HB LEU 22 1HB LEU 22 -3.094 -0.482 -0.400 149 2HB LEU 22 2HB LEU 22 -4.642 -1.314 -0.285 150 HG LEU 22 HG LEU 22 -4.861 -1.386 -2.715 151 1HD1 LEU 22 1HD1 LEU 22 -2.968 -0.838 -4.198 152 2HD1 LEU 22 2HD1 LEU 22 -2.061 -0.173 -2.825 153 3HD1 LEU 22 3HD1 LEU 22 -3.551 0.616 -3.379 154 1HD2 LEU 22 1HD2 LEU 22 -3.120 -3.058 -3.096 155 2HD2 LEU 22 2HD2 LEU 22 -3.741 -3.189 -1.437 156 3HD2 LEU 22 3HD2 LEU 22 -2.166 -2.423 -1.731 157 H GLN 23 H GLN 23 -4.580 2.167 1.288 158 HA GLN 23 HA GLN 23 -6.591 0.877 2.891 159 1HB GLN 23 1HB GLN 23 -5.524 3.718 3.113 160 2HB GLN 23 2HB GLN 23 -6.450 2.889 4.330 161 1HG GLN 23 1HG GLN 23 -3.766 1.795 3.409 162 2HG GLN 23 2HG GLN 23 -3.916 3.013 4.673 163 1HE2 GLN 23 2HE2 GLN 23 -4.102 -0.396 4.039 164 2HE2 GLN 23 1HE2 GLN 23 -4.729 -0.835 5.618 165 H GLN 24 H GLN 24 -6.697 3.460 0.447 166 HA GLN 24 HA GLN 24 -9.133 4.669 1.132 167 1HB GLN 24 1HB GLN 24 -7.370 5.366 -0.605 168 2HB GLN 24 2HB GLN 24 -8.056 4.143 -1.671 169 1HG GLN 24 1HG GLN 24 -8.949 6.288 -2.279 170 2HG GLN 24 2HG GLN 24 -10.264 5.359 -1.569 171 1HE2 GLN 24 2HE2 GLN 24 -11.187 6.106 0.467 172 2HE2 GLN 24 1HE2 GLN 24 -10.604 7.598 1.216 173 H TYR 25 H TYR 25 -8.420 1.652 -0.596 174 HA TYR 25 HA TYR 25 -11.076 1.108 -1.621 175 1HB TYR 25 1HB TYR 25 -9.113 -0.091 -2.496 176 2HB TYR 25 2HB TYR 25 -8.758 -0.746 -0.906 177 HD1 TYR 25 HD1 TYR 25 -10.743 -1.205 -3.931 178 HD2 TYR 25 HD2 TYR 25 -10.284 -2.448 0.184 179 HE1 TYR 25 HE1 TYR 25 -12.160 -3.201 -4.343 180 HE2 TYR 25 HE2 TYR 25 -11.747 -4.363 -0.221 181 HH TYR 25 HH TYR 25 -13.155 -5.449 -1.760 182 H LEU 26 H LEU 26 -9.358 -0.268 1.365 183 HA LEU 26 HA LEU 26 -11.679 -1.303 2.201 184 1HB LEU 26 1HB LEU 26 -10.310 -2.165 3.764 185 2HB LEU 26 2HB LEU 26 -9.066 -1.436 2.849 186 HG LEU 26 HG LEU 26 -9.272 0.617 4.470 187 1HD1 LEU 26 1HD1 LEU 26 -9.898 -0.045 6.790 188 2HD1 LEU 26 2HD1 LEU 26 -10.550 -1.576 6.162 189 3HD1 LEU 26 3HD1 LEU 26 -11.302 -0.033 5.737 190 1HD2 LEU 26 1HD2 LEU 26 -7.660 -0.449 5.990 191 2HD2 LEU 26 2HD2 LEU 26 -7.342 -0.904 4.317 192 3HD2 LEU 26 3HD2 LEU 26 -8.146 -2.054 5.402 193 H ASN 27 H ASN 27 -10.567 1.934 2.836 194 HA ASN 27 HA ASN 27 -12.476 2.606 4.850 195 1HB ASN 27 1HB ASN 27 -10.225 3.698 3.949 196 2HB ASN 27 2HB ASN 27 -11.305 4.658 2.968 197 1HD2 ASN 27 2HD2 ASN 27 -9.514 5.543 5.037 198 2HD2 ASN 27 1HD2 ASN 27 -10.441 6.257 6.307 199 H VAL 28 H VAL 28 -12.957 2.171 1.501 200 HA VAL 28 HA VAL 28 -15.574 3.637 1.693 201 HB VAL 28 HB VAL 28 -13.713 3.730 -0.712 202 1HG1 VAL 28 1HG1 VAL 28 -15.256 5.496 -1.548 203 2HG1 VAL 28 2HG1 VAL 28 -16.090 3.958 -1.356 204 3HG1 VAL 28 3HG1 VAL 28 -16.314 5.231 -0.143 205 1HG2 VAL 28 1HG2 VAL 28 -13.435 6.154 -0.198 206 2HG2 VAL 28 2HG2 VAL 28 -14.325 5.926 1.320 207 3HG2 VAL 28 3HG2 VAL 28 -12.757 5.133 1.069 208 H VAL 29 H VAL 29 -13.795 1.047 -0.116 209 HA VAL 29 HA VAL 29 -16.151 0.225 -1.472 210 HB VAL 29 HB VAL 29 -13.481 -1.173 -1.142 211 1HG1 VAL 29 1HG1 VAL 29 -14.307 -2.386 -3.235 212 2HG1 VAL 29 2HG1 VAL 29 -15.218 -2.794 -1.781 213 3HG1 VAL 29 3HG1 VAL 29 -15.893 -1.664 -2.975 214 1HG2 VAL 29 1HG2 VAL 29 -14.619 0.666 -3.279 215 2HG2 VAL 29 2HG2 VAL 29 -13.208 0.963 -2.257 216 3HG2 VAL 29 3HG2 VAL 29 -13.154 -0.309 -3.481 217 H THR 30 H THR 30 -14.327 -1.496 1.030 218 HA THR 30 HA THR 30 -16.529 -3.152 1.667 219 HB THR 30 HB THR 30 -15.086 -3.348 3.873 220 HG1 THR 30 HG1 THR 30 -13.645 -1.639 3.513 221 1HG2 THR 30 1HG2 THR 30 -13.595 -4.977 2.759 222 2HG2 THR 30 2HG2 THR 30 -14.025 -4.294 1.180 223 3HG2 THR 30 3HG2 THR 30 -15.258 -5.134 2.153 224 H ARG 31 H ARG 31 -15.525 0.038 2.863 225 HA ARG 31 HA ARG 31 -17.288 0.034 5.068 226 1HB ARG 31 1HB ARG 31 -15.342 1.671 4.441 227 2HB ARG 31 2HB ARG 31 -16.615 2.602 3.623 228 1HG ARG 31 1HG ARG 31 -17.877 2.685 5.795 229 2HG ARG 31 2HG ARG 31 -16.621 1.708 6.547 230 1HD ARG 31 1HD ARG 31 -14.968 3.450 6.171 231 2HD ARG 31 2HD ARG 31 -16.146 4.406 5.248 232 HE ARG 31 HE ARG 31 -17.504 4.268 7.478 233 1HH1 ARG 31 1HH1 ARG 31 -14.012 4.932 7.079 234 2HH1 ARG 31 2HH1 ARG 31 -13.866 5.669 8.627 235 1HH2 ARG 31 1HH2 ARG 31 -17.380 5.543 9.275 236 2HH2 ARG 31 2HH2 ARG 31 -15.931 6.332 9.787 237 H HIS 32 H HIS 32 -18.231 -0.101 1.895 238 HA HIS 32 HA HIS 32 -20.973 0.626 2.638 239 1HB HIS 32 1HB HIS 32 -19.305 1.969 0.604 240 2HB HIS 32 2HB HIS 32 -20.774 1.295 -0.054 241 HD1 HIS 32 HD1 HIS 32 -23.124 2.228 1.022 242 HD2 HIS 32 HD2 HIS 32 -19.543 4.060 2.239 243 HE1 HIS 32 HE1 HIS 32 -23.801 4.316 2.312 244 H ARG 33 H ARG 33 -19.032 -1.823 1.875 245 HA ARG 33 HA ARG 33 -21.270 -3.375 0.907 246 1HB ARG 33 1HB ARG 33 -19.901 -2.200 -1.130 247 2HB ARG 33 2HB ARG 33 -18.918 -3.647 -0.937 248 1HG ARG 33 1HG ARG 33 -21.207 -4.944 -0.995 249 2HG ARG 33 2HG ARG 33 -21.898 -3.385 -1.511 250 1HD ARG 33 1HD ARG 33 -20.285 -3.351 -3.409 251 2HD ARG 33 2HD ARG 33 -19.696 -4.950 -2.899 252 HE ARG 33 HE ARG 33 -22.487 -5.052 -3.133 253 1HH1 ARG 33 1HH1 ARG 33 -19.649 -4.646 -5.270 254 2HH1 ARG 33 2HH1 ARG 33 -20.555 -4.883 -6.726 255 1HH2 ARG 33 1HH2 ARG 33 -23.587 -5.685 -4.997 256 2HH2 ARG 33 2HH2 ARG 33 -22.826 -5.662 -6.561 257 H TYR 34 H TYR 34 -19.121 -3.415 3.064 258 HA TYR 34 HA TYR 34 -17.630 -5.837 2.734 259 1HB TYR 34 1HB TYR 34 -17.157 -4.169 4.516 260 2HB TYR 34 2HB TYR 34 -18.673 -4.578 5.311 261 HD1 TYR 34 HD1 TYR 34 -18.918 -6.840 6.405 262 HD2 TYR 34 HD2 TYR 34 -15.191 -5.577 4.614 263 HE1 TYR 34 HE1 TYR 34 -17.707 -8.624 7.643 264 HE2 TYR 34 HE2 TYR 34 -13.986 -7.303 5.879 265 HH TYR 34 HH TYR 34 -15.624 -9.511 8.175 266 1HN NH2 35 1H NH2 35 -20.987 -5.158 3.724 267 2HN NH2 35 2H NH2 35 -21.503 -6.808 3.709 268 3HM EAB 10 3HM AZT 10 15.041 -3.688 2.689 269 2HM EAB 10 2HM AZT 10 14.979 -2.926 4.267 270 HL EAB 10 HL AZT 10 11.690 -3.190 4.333 271 HK2 EAB 10 HK2 AZT 10 10.397 -5.080 5.259 272 HJ2 EAB 10 HJ2 AZT 10 11.345 -7.363 5.312 273 HG1 EAB 10 HG1 AZT 10 12.233 -11.313 4.886 274 HG2 EAB 10 HG2 AZT 10 15.723 -13.768 4.188 275 HD2 EAB 10 HD2 AZT 10 17.133 -11.737 4.127 276 HE EAB 10 HE AZT 10 16.106 -9.493 4.345 277 2HA EAB 10 2HA AZT 10 12.770 -14.119 5.621 278 3HA EAB 10 3HA AZT 10 13.596 -14.759 4.190 279 1HN EAB 10 H AZT 10 11.871 -13.198 2.956 280 HJ1 EAB 10 HJ1 AZT 10 15.016 -5.889 3.619 Start of MODEL 6 1 1H GLY 1 H GLY 1 -1.610 -12.098 6.996 2 1HA GLY 1 1HA GLY 1 -2.239 -14.491 8.619 3 2HA GLY 1 2HA GLY 1 -2.253 -14.502 6.866 4 HA PRO 2 HA PRO 2 2.074 -15.490 8.382 5 1HB PRO 2 1HB PRO 2 2.422 -17.892 7.072 6 2HB PRO 2 2HB PRO 2 1.721 -17.711 8.709 7 1HG PRO 2 1HG PRO 2 0.279 -18.005 6.077 8 2HG PRO 2 2HG PRO 2 -0.077 -18.832 7.624 9 1HD PRO 2 1HD PRO 2 -1.474 -16.656 6.757 10 2HD PRO 2 2HD PRO 2 -1.144 -16.936 8.493 11 H SER 3 H SER 3 0.474 -14.953 5.320 12 HA SER 3 HA SER 3 2.784 -15.050 3.606 13 1HB SER 3 1HB SER 3 0.341 -15.123 2.932 14 2HB SER 3 2HB SER 3 0.253 -13.392 3.299 15 HG SER 3 HG SER 3 1.469 -12.948 1.570 16 H GLN 4 H GLN 4 4.080 -13.225 3.004 17 HA GLN 4 HA GLN 4 5.249 -11.373 3.187 18 1HB GLN 4 1HB GLN 4 3.150 -10.193 2.703 19 2HB GLN 4 2HB GLN 4 2.852 -10.019 4.439 20 1HG GLN 4 1HG GLN 4 3.841 -7.975 3.650 21 2HG GLN 4 2HG GLN 4 5.023 -8.794 4.644 22 1HE2 GLN 4 2HE2 GLN 4 4.142 -8.056 1.280 23 2HE2 GLN 4 1HE2 GLN 4 5.753 -8.221 0.630 24 HA PRO 5 HA PRO 5 6.428 -12.396 7.516 25 1HB PRO 5 1HB PRO 5 9.007 -13.129 7.041 26 2HB PRO 5 2HB PRO 5 7.634 -14.174 6.581 27 1HG PRO 5 1HG PRO 5 9.157 -12.189 4.866 28 2HG PRO 5 2HG PRO 5 8.843 -13.914 4.515 29 1HD PRO 5 1HD PRO 5 7.275 -11.879 3.558 30 2HD PRO 5 2HD PRO 5 6.588 -13.475 3.985 31 H THR 6 H THR 6 8.796 -11.635 8.585 32 HA THR 6 HA THR 6 8.639 -8.720 8.586 33 HB THR 6 HB THR 6 10.528 -8.904 10.190 34 HG1 THR 6 HG1 THR 6 10.278 -11.723 9.894 35 1HG2 THR 6 1HG2 THR 6 8.362 -10.899 10.916 36 2HG2 THR 6 2HG2 THR 6 8.178 -9.127 10.997 37 3HG2 THR 6 3HG2 THR 6 9.382 -9.948 12.009 38 H TYR 7 H TYR 7 10.702 -7.396 8.218 39 HA TYR 7 HA TYR 7 12.680 -8.495 6.409 40 1HB TYR 7 1HB TYR 7 10.811 -8.059 4.841 41 2HB TYR 7 2HB TYR 7 10.762 -6.388 5.348 42 HD1 TYR 7 HD1 TYR 7 12.173 -4.753 4.252 43 HD2 TYR 7 HD2 TYR 7 12.983 -8.971 3.807 44 HE1 TYR 7 HE1 TYR 7 13.812 -4.257 2.467 45 HE2 TYR 7 HE2 TYR 7 14.644 -8.469 2.054 46 HH TYR 7 HH TYR 7 14.940 -5.320 0.570 47 HA PRO 8 HA PRO 8 13.794 -4.799 9.107 48 1HB PRO 8 1HB PRO 8 15.355 -5.943 10.999 49 2HB PRO 8 2HB PRO 8 13.566 -6.034 11.112 50 1HG PRO 8 1HG PRO 8 15.477 -8.128 10.021 51 2HG PRO 8 2HG PRO 8 14.143 -8.347 11.199 52 1HD PRO 8 1HD PRO 8 13.843 -8.841 8.507 53 2HD PRO 8 2HD PRO 8 12.521 -8.256 9.556 54 H GLY 9 H GLY 9 16.064 -3.869 9.210 55 1HA GLY 9 1HA GLY 9 18.352 -5.298 8.281 56 2HA GLY 9 2HA GLY 9 17.580 -4.440 6.936 57 HA PRO 11 HA PRO 11 12.519 5.355 -2.056 58 1HB PRO 11 1HB PRO 11 11.112 3.581 -3.550 59 2HB PRO 11 2HB PRO 11 12.885 3.699 -3.726 60 1HG PRO 11 1HG PRO 11 11.351 1.707 -2.013 61 2HG PRO 11 2HG PRO 11 12.618 1.359 -3.241 62 1HD PRO 11 1HD PRO 11 13.259 1.545 -0.633 63 2HD PRO 11 2HD PRO 11 14.324 2.243 -1.890 64 H VAL 12 H VAL 12 11.938 4.925 0.615 65 HA VAL 12 HA VAL 12 9.630 3.771 1.532 66 HB VAL 12 HB VAL 12 11.033 6.279 2.555 67 1HG1 VAL 12 1HG1 VAL 12 8.911 5.845 3.745 68 2HG1 VAL 12 2HG1 VAL 12 9.430 4.163 4.041 69 3HG1 VAL 12 3HG1 VAL 12 10.320 5.512 4.773 70 1HG2 VAL 12 1HG2 VAL 12 12.317 4.710 4.015 71 2HG2 VAL 12 2HG2 VAL 12 11.603 3.340 3.147 72 3HG2 VAL 12 3HG2 VAL 12 12.691 4.479 2.328 73 H GLU 13 H GLU 13 9.992 7.241 0.498 74 HA GLU 13 HA GLU 13 7.313 7.884 0.978 75 1HB GLU 13 1HB GLU 13 9.196 9.047 -1.095 76 2HB GLU 13 2HB GLU 13 7.691 9.800 -0.543 77 1HG GLU 13 1HG GLU 13 8.586 9.925 1.758 78 2HG GLU 13 2HG GLU 13 10.104 9.208 1.233 79 H ASP 14 H ASP 14 8.503 6.010 -1.765 80 HA ASP 14 HA ASP 14 5.957 6.522 -3.239 81 1HB ASP 14 1HB ASP 14 7.970 6.384 -4.613 82 2HB ASP 14 2HB ASP 14 8.333 4.776 -3.967 83 H LEU 15 H LEU 15 7.750 3.918 -1.558 84 HA LEU 15 HA LEU 15 5.876 1.875 -1.929 85 1HB LEU 15 1HB LEU 15 8.258 1.659 -1.069 86 2HB LEU 15 2HB LEU 15 7.695 2.306 0.474 87 HG LEU 15 HG LEU 15 5.975 0.361 0.495 88 1HD1 LEU 15 1HD1 LEU 15 6.125 -0.305 -1.869 89 2HD1 LEU 15 2HD1 LEU 15 6.681 -1.636 -0.855 90 3HD1 LEU 15 3HD1 LEU 15 7.864 -0.622 -1.689 91 1HD2 LEU 15 1HD2 LEU 15 7.922 0.391 1.949 92 2HD2 LEU 15 2HD2 LEU 15 8.936 -0.282 0.634 93 3HD2 LEU 15 3HD2 LEU 15 7.628 -1.243 1.355 94 H ILE 16 H ILE 16 6.190 4.183 0.867 95 HA ILE 16 HA ILE 16 3.961 3.072 2.244 96 HB ILE 16 HB ILE 16 3.969 5.015 3.639 97 1HG1 ILE 16 1HG1 ILE 16 5.702 6.344 1.541 98 2HG1 ILE 16 2HG1 ILE 16 4.147 6.832 2.148 99 1HG2 ILE 16 1HG2 ILE 16 5.671 3.223 3.917 100 2HG2 ILE 16 2HG2 ILE 16 6.843 4.207 3.043 101 3HG2 ILE 16 3HG2 ILE 16 6.182 4.783 4.579 102 1HD1 ILE 16 1HD1 ILE 16 6.758 6.941 3.678 103 2HD1 ILE 16 2HD1 ILE 16 5.786 8.294 3.081 104 3HD1 ILE 16 3HD1 ILE 16 5.157 7.274 4.392 105 H ARG 17 H ARG 17 4.092 5.376 -0.477 106 HA ARG 17 HA ARG 17 1.338 6.214 -0.026 107 1HB ARG 17 1HB ARG 17 3.046 7.628 -1.202 108 2HB ARG 17 2HB ARG 17 3.180 6.396 -2.442 109 1HG ARG 17 1HG ARG 17 0.773 6.814 -3.080 110 2HG ARG 17 2HG ARG 17 0.717 8.070 -1.834 111 1HD ARG 17 1HD ARG 17 1.074 9.068 -4.001 112 2HD ARG 17 2HD ARG 17 2.505 9.315 -2.993 113 HE ARG 17 HE ARG 17 3.072 6.984 -4.342 114 1HH1 ARG 17 1HH1 ARG 17 1.898 10.032 -5.666 115 2HH1 ARG 17 2HH1 ARG 17 3.056 10.119 -6.936 116 1HH2 ARG 17 1HH2 ARG 17 4.665 7.048 -6.010 117 2HH2 ARG 17 2HH2 ARG 17 4.635 8.368 -7.136 118 H PHE 18 H PHE 18 2.855 3.753 -1.800 119 HA PHE 18 HA PHE 18 0.447 2.898 -3.204 120 1HB PHE 18 1HB PHE 18 2.660 2.309 -4.076 121 2HB PHE 18 2HB PHE 18 3.063 1.443 -2.605 122 HD1 PHE 18 HD1 PHE 18 0.494 1.428 -5.375 123 HD2 PHE 18 HD2 PHE 18 2.786 -0.901 -2.554 124 HE1 PHE 18 HE1 PHE 18 -0.392 -0.652 -6.371 125 HE2 PHE 18 HE2 PHE 18 1.893 -2.979 -3.560 126 HZ PHE 18 HZ PHE 18 0.294 -2.871 -5.453 127 H TYR 19 H TYR 19 2.071 2.000 -0.198 128 HA TYR 19 HA TYR 19 0.244 -0.120 0.418 129 1HB TYR 19 1HB TYR 19 2.722 0.556 1.317 130 2HB TYR 19 2HB TYR 19 1.753 1.130 2.660 131 HD1 TYR 19 HD1 TYR 19 0.689 -0.500 4.156 132 HD2 TYR 19 HD2 TYR 19 2.491 -1.789 0.458 133 HE1 TYR 19 HE1 TYR 19 0.516 -2.832 4.908 134 HE2 TYR 19 HE2 TYR 19 2.294 -4.132 1.161 135 HH TYR 19 HH TYR 19 1.326 -4.984 4.478 136 H ASN 20 H ASN 20 0.371 3.319 1.379 137 HA ASN 20 HA ASN 20 -1.785 3.107 3.293 138 1HB ASN 20 1HB ASN 20 -0.390 5.418 1.919 139 2HB ASN 20 2HB ASN 20 -1.927 5.677 2.692 140 1HD2 ASN 20 2HD2 ASN 20 1.319 4.303 3.402 141 2HD2 ASN 20 1HD2 ASN 20 1.254 4.628 5.124 142 H ASP 21 H ASP 21 -1.597 3.775 -0.246 143 HA ASP 21 HA ASP 21 -4.310 4.457 -0.586 144 1HB ASP 21 1HB ASP 21 -2.634 4.862 -2.289 145 2HB ASP 21 2HB ASP 21 -2.377 3.127 -2.492 146 H LEU 22 H LEU 22 -2.723 1.279 -0.362 147 HA LEU 22 HA LEU 22 -4.977 -0.307 -1.178 148 1HB LEU 22 1HB LEU 22 -2.735 -0.927 0.782 149 2HB LEU 22 2HB LEU 22 -3.950 -2.098 0.331 150 HG LEU 22 HG LEU 22 -2.149 -0.841 -1.752 151 1HD1 LEU 22 1HD1 LEU 22 -0.719 -2.816 -1.538 152 2HD1 LEU 22 2HD1 LEU 22 -1.743 -3.449 -0.226 153 3HD1 LEU 22 3HD1 LEU 22 -0.782 -1.983 0.017 154 1HD2 LEU 22 1HD2 LEU 22 -2.710 -2.968 -2.951 155 2HD2 LEU 22 2HD2 LEU 22 -4.142 -1.979 -2.631 156 3HD2 LEU 22 3HD2 LEU 22 -3.810 -3.407 -1.634 157 H GLN 23 H GLN 23 -4.201 1.374 1.865 158 HA GLN 23 HA GLN 23 -6.179 -0.039 3.477 159 1HB GLN 23 1HB GLN 23 -4.999 2.708 4.000 160 2HB GLN 23 2HB GLN 23 -5.865 1.683 5.131 161 1HG GLN 23 1HG GLN 23 -4.056 0.003 5.012 162 2HG GLN 23 2HG GLN 23 -3.142 1.065 3.924 163 1HE2 GLN 23 2HE2 GLN 23 -2.368 0.097 6.630 164 2HE2 GLN 23 1HE2 GLN 23 -2.278 1.505 7.656 165 H GLN 24 H GLN 24 -6.042 2.953 1.530 166 HA GLN 24 HA GLN 24 -8.547 4.039 2.288 167 1HB GLN 24 1HB GLN 24 -7.330 4.208 -0.502 168 2HB GLN 24 2HB GLN 24 -8.540 5.272 0.213 169 1HG GLN 24 1HG GLN 24 -6.850 5.901 1.959 170 2HG GLN 24 2HG GLN 24 -5.633 5.010 1.046 171 1HE2 GLN 24 2HE2 GLN 24 -5.931 5.711 -1.656 172 2HE2 GLN 24 1HE2 GLN 24 -5.996 7.444 -1.808 173 H TYR 25 H TYR 25 -7.702 1.599 -0.180 174 HA TYR 25 HA TYR 25 -10.213 1.382 -1.418 175 1HB TYR 25 1HB TYR 25 -7.926 0.270 -1.981 176 2HB TYR 25 2HB TYR 25 -8.455 -1.040 -0.941 177 HD1 TYR 25 HD1 TYR 25 -9.196 0.932 -3.986 178 HD2 TYR 25 HD2 TYR 25 -10.241 -2.598 -1.735 179 HE1 TYR 25 HE1 TYR 25 -10.586 0.152 -5.880 180 HE2 TYR 25 HE2 TYR 25 -11.611 -3.392 -3.640 181 HH TYR 25 HH TYR 25 -12.129 -1.418 -6.611 182 H LEU 26 H LEU 26 -9.042 -0.912 1.210 183 HA LEU 26 HA LEU 26 -11.554 -1.886 1.658 184 1HB LEU 26 1HB LEU 26 -10.363 -3.247 2.953 185 2HB LEU 26 2HB LEU 26 -8.985 -2.489 2.279 186 HG LEU 26 HG LEU 26 -9.423 -0.857 4.490 187 1HD1 LEU 26 1HD1 LEU 26 -11.212 -2.588 5.245 188 2HD1 LEU 26 2HD1 LEU 26 -9.919 -2.187 6.389 189 3HD1 LEU 26 3HD1 LEU 26 -9.868 -3.701 5.466 190 1HD2 LEU 26 1HD2 LEU 26 -7.748 -3.392 4.448 191 2HD2 LEU 26 2HD2 LEU 26 -7.523 -1.973 5.498 192 3HD2 LEU 26 3HD2 LEU 26 -7.285 -1.839 3.747 193 H ASN 27 H ASN 27 -10.617 1.265 2.499 194 HA ASN 27 HA ASN 27 -12.487 1.415 4.818 195 1HB ASN 27 1HB ASN 27 -10.033 2.284 4.733 196 2HB ASN 27 2HB ASN 27 -10.697 3.632 3.828 197 1HD2 ASN 27 2HD2 ASN 27 -9.586 4.538 5.902 198 2HD2 ASN 27 1HD2 ASN 27 -10.547 4.658 7.370 199 H VAL 28 H VAL 28 -12.366 2.019 1.526 200 HA VAL 28 HA VAL 28 -14.698 3.924 1.679 201 HB VAL 28 HB VAL 28 -12.509 3.727 -0.425 202 1HG1 VAL 28 1HG1 VAL 28 -13.446 5.761 -1.372 203 2HG1 VAL 28 2HG1 VAL 28 -14.684 4.505 -1.366 204 3HG1 VAL 28 3HG1 VAL 28 -14.740 5.786 -0.145 205 1HG2 VAL 28 1HG2 VAL 28 -11.717 4.810 1.732 206 2HG2 VAL 28 2HG2 VAL 28 -11.738 5.904 0.356 207 3HG2 VAL 28 3HG2 VAL 28 -13.023 5.982 1.567 208 H VAL 29 H VAL 29 -13.356 1.046 -0.001 209 HA VAL 29 HA VAL 29 -15.412 0.757 -1.824 210 HB VAL 29 HB VAL 29 -13.038 -0.372 -1.546 211 1HG1 VAL 29 1HG1 VAL 29 -13.525 -1.944 0.262 212 2HG1 VAL 29 2HG1 VAL 29 -14.703 -2.759 -0.819 213 3HG1 VAL 29 3HG1 VAL 29 -12.989 -2.703 -1.233 214 1HG2 VAL 29 1HG2 VAL 29 -13.741 -1.907 -3.399 215 2HG2 VAL 29 2HG2 VAL 29 -15.430 -1.518 -3.020 216 3HG2 VAL 29 3HG2 VAL 29 -14.321 -0.249 -3.595 217 H THR 30 H THR 30 -15.064 -1.296 1.031 218 HA THR 30 HA THR 30 -17.751 -2.147 0.993 219 HB THR 30 HB THR 30 -17.044 -2.914 3.375 220 HG1 THR 30 HG1 THR 30 -15.187 -1.578 3.583 221 1HG2 THR 30 1HG2 THR 30 -17.101 -4.508 1.512 222 2HG2 THR 30 2HG2 THR 30 -15.644 -4.760 2.460 223 3HG2 THR 30 3HG2 THR 30 -15.548 -3.914 0.910 224 H ARG 31 H ARG 31 -16.299 0.641 2.619 225 HA ARG 31 HA ARG 31 -18.300 1.041 4.538 226 1HB ARG 31 1HB ARG 31 -16.066 2.183 4.421 227 2HB ARG 31 2HB ARG 31 -16.672 3.172 3.086 228 1HG ARG 31 1HG ARG 31 -18.328 4.201 4.597 229 2HG ARG 31 2HG ARG 31 -17.866 3.085 5.884 230 1HD ARG 31 1HD ARG 31 -16.932 5.370 6.186 231 2HD ARG 31 2HD ARG 31 -15.717 4.092 6.136 232 HE ARG 31 HE ARG 31 -14.758 5.015 4.366 233 1HH1 ARG 31 1HH1 ARG 31 -18.133 6.170 4.233 234 2HH1 ARG 31 2HH1 ARG 31 -17.863 7.202 2.878 235 1HH2 ARG 31 1HH2 ARG 31 -14.361 6.723 2.890 236 2HH2 ARG 31 2HH2 ARG 31 -15.657 7.454 1.998 237 H HIS 32 H HIS 32 -18.517 1.544 1.255 238 HA HIS 32 HA HIS 32 -20.927 3.257 1.400 239 1HB HIS 32 1HB HIS 32 -18.758 2.828 -0.392 240 2HB HIS 32 2HB HIS 32 -20.180 2.384 -1.298 241 HD1 HIS 32 HD1 HIS 32 -21.244 4.505 -2.437 242 HD2 HIS 32 HD2 HIS 32 -18.943 5.285 1.007 243 HE1 HIS 32 HE1 HIS 32 -20.948 7.044 -2.325 244 H ARG 33 H ARG 33 -21.265 0.765 2.661 245 HA ARG 33 HA ARG 33 -22.576 -1.118 2.750 246 1HB ARG 33 1HB ARG 33 -24.348 0.466 0.859 247 2HB ARG 33 2HB ARG 33 -24.833 -0.977 1.744 248 1HG ARG 33 1HG ARG 33 -24.556 0.166 3.871 249 2HG ARG 33 2HG ARG 33 -23.949 1.624 3.056 250 1HD ARG 33 1HD ARG 33 -26.163 1.766 1.838 251 2HD ARG 33 2HD ARG 33 -26.753 0.445 2.851 252 HE ARG 33 HE ARG 33 -26.251 3.244 3.567 253 1HH1 ARG 33 1HH1 ARG 33 -27.270 0.075 4.799 254 2HH1 ARG 33 2HH1 ARG 33 -27.558 0.644 6.413 255 1HH2 ARG 33 1HH2 ARG 33 -26.327 3.904 5.762 256 2HH2 ARG 33 2HH2 ARG 33 -26.935 2.862 6.996 257 H TYR 34 H TYR 34 -20.406 -1.631 1.374 258 HA TYR 34 HA TYR 34 -21.345 -3.252 -0.899 259 1HB TYR 34 1HB TYR 34 -20.035 -0.771 -1.265 260 2HB TYR 34 2HB TYR 34 -18.776 -1.963 -1.478 261 HD1 TYR 34 HD1 TYR 34 -18.745 -3.402 -3.414 262 HD2 TYR 34 HD2 TYR 34 -22.177 -0.920 -2.611 263 HE1 TYR 34 HE1 TYR 34 -19.498 -3.737 -5.730 264 HE2 TYR 34 HE2 TYR 34 -22.970 -1.267 -4.938 265 HH TYR 34 HH TYR 34 -22.439 -2.119 -7.040 266 1HN NH2 35 1H NH2 35 -20.581 -3.778 1.856 267 2HN NH2 35 2H NH2 35 -19.356 -5.015 1.604 268 3HM EAB 10 3HM AZT 10 15.656 3.039 -0.373 269 2HM EAB 10 2HM AZT 10 15.954 4.453 0.607 270 HL EAB 10 HL AZT 10 13.042 2.159 1.423 271 HK2 EAB 10 HK2 AZT 10 13.041 0.741 3.407 272 HJ2 EAB 10 HJ2 AZT 10 15.107 0.416 4.741 273 HG1 EAB 10 HG1 AZT 10 18.184 -0.718 6.980 274 HG2 EAB 10 HG2 AZT 10 22.503 -0.602 6.818 275 HD2 EAB 10 HD2 AZT 10 22.379 1.012 4.946 276 HE EAB 10 HE AZT 10 20.179 1.723 4.050 277 2HA EAB 10 2HA AZT 10 20.112 -1.246 9.098 278 3HA EAB 10 3HA AZT 10 21.466 -2.083 8.305 279 1HN EAB 10 H AZT 10 19.996 -3.625 7.320 280 HJ1 EAB 10 HJ1 AZT 10 17.107 3.301 2.256 Start of MODEL 7 1 1H GLY 1 H GLY 1 -2.105 -14.972 -19.981 2 1HA GLY 1 1HA GLY 1 -3.158 -14.595 -17.813 3 2HA GLY 1 2HA GLY 1 -3.042 -16.348 -17.530 4 HA PRO 2 HA PRO 2 1.213 -14.024 -17.057 5 1HB PRO 2 1HB PRO 2 1.113 -12.560 -14.725 6 2HB PRO 2 2HB PRO 2 0.717 -11.888 -16.340 7 1HG PRO 2 1HG PRO 2 -1.200 -13.048 -14.288 8 2HG PRO 2 2HG PRO 2 -1.310 -11.452 -15.099 9 1HD PRO 2 1HD PRO 2 -2.693 -13.578 -15.992 10 2HD PRO 2 2HD PRO 2 -1.893 -12.491 -17.176 11 H SER 3 H SER 3 2.824 -14.582 -15.422 12 HA SER 3 HA SER 3 2.249 -16.272 -13.183 13 1HB SER 3 1HB SER 3 3.406 -17.454 -15.756 14 2HB SER 3 2HB SER 3 3.460 -18.264 -14.191 15 HG SER 3 HG SER 3 0.974 -17.314 -14.965 16 H GLN 4 H GLN 4 4.439 -17.015 -12.296 17 HA GLN 4 HA GLN 4 6.422 -16.627 -11.483 18 1HB GLN 4 1HB GLN 4 7.238 -15.541 -14.214 19 2HB GLN 4 2HB GLN 4 8.287 -16.198 -12.966 20 1HG GLN 4 1HG GLN 4 6.791 -18.324 -13.144 21 2HG GLN 4 2HG GLN 4 6.334 -17.680 -14.724 22 1HE2 GLN 4 2HE2 GLN 4 7.709 -20.170 -14.099 23 2HE2 GLN 4 1HE2 GLN 4 9.304 -20.100 -14.826 24 HA PRO 5 HA PRO 5 6.374 -12.559 -9.900 25 1HB PRO 5 1HB PRO 5 8.756 -12.158 -8.688 26 2HB PRO 5 2HB PRO 5 7.677 -13.499 -8.185 27 1HG PRO 5 1HG PRO 5 10.047 -13.609 -10.072 28 2HG PRO 5 2HG PRO 5 9.687 -14.691 -8.695 29 1HD PRO 5 1HD PRO 5 9.050 -15.253 -11.310 30 2HD PRO 5 2HD PRO 5 8.096 -15.892 -9.933 31 H THR 6 H THR 6 7.472 -10.355 -9.908 32 HA THR 6 HA THR 6 8.942 -9.872 -12.442 33 HB THR 6 HB THR 6 6.386 -9.274 -12.253 34 HG1 THR 6 HG1 THR 6 8.233 -7.418 -13.341 35 1HG2 THR 6 1HG2 THR 6 6.491 -7.867 -10.241 36 2HG2 THR 6 2HG2 THR 6 5.945 -6.955 -11.667 37 3HG2 THR 6 3HG2 THR 6 7.598 -6.739 -11.071 38 H TYR 7 H TYR 7 8.704 -9.375 -9.050 39 HA TYR 7 HA TYR 7 11.245 -7.854 -9.104 40 1HB TYR 7 1HB TYR 7 8.847 -6.582 -8.763 41 2HB TYR 7 2HB TYR 7 9.192 -6.958 -7.102 42 HD1 TYR 7 HD1 TYR 7 11.558 -6.226 -6.187 43 HD2 TYR 7 HD2 TYR 7 9.893 -4.858 -9.934 44 HE1 TYR 7 HE1 TYR 7 13.094 -4.293 -6.171 45 HE2 TYR 7 HE2 TYR 7 11.425 -2.960 -9.947 46 HH TYR 7 HH TYR 7 13.027 -1.780 -8.738 47 HA PRO 8 HA PRO 8 11.020 -11.282 -5.920 48 1HB PRO 8 1HB PRO 8 12.779 -13.103 -6.834 49 2HB PRO 8 2HB PRO 8 11.128 -13.006 -7.491 50 1HG PRO 8 1HG PRO 8 13.646 -11.766 -8.654 51 2HG PRO 8 2HG PRO 8 12.433 -12.779 -9.497 52 1HD PRO 8 1HD PRO 8 12.359 -10.033 -9.558 53 2HD PRO 8 2HD PRO 8 10.879 -11.037 -9.582 54 H GLY 9 H GLY 9 12.745 -11.628 -4.227 55 1HA GLY 9 1HA GLY 9 15.397 -10.809 -4.483 56 2HA GLY 9 2HA GLY 9 14.474 -9.367 -4.023 57 HA PRO 11 HA PRO 11 13.005 2.239 -2.956 58 1HB PRO 11 1HB PRO 11 11.045 1.079 -4.424 59 2HB PRO 11 2HB PRO 11 12.779 0.848 -4.820 60 1HG PRO 11 1HG PRO 11 10.999 -1.024 -3.220 61 2HG PRO 11 2HG PRO 11 12.037 -1.408 -4.637 62 1HD PRO 11 1HD PRO 11 12.901 -1.755 -2.071 63 2HD PRO 11 2HD PRO 11 14.006 -1.233 -3.376 64 H VAL 12 H VAL 12 12.619 2.282 -0.394 65 HA VAL 12 HA VAL 12 10.379 1.485 0.932 66 HB VAL 12 HB VAL 12 10.982 3.741 2.148 67 1HG1 VAL 12 1HG1 VAL 12 12.684 2.625 3.434 68 2HG1 VAL 12 2HG1 VAL 12 11.402 1.485 3.009 69 3HG1 VAL 12 3HG1 VAL 12 12.939 1.452 2.129 70 1HG2 VAL 12 1HG2 VAL 12 13.193 4.599 1.891 71 2HG2 VAL 12 2HG2 VAL 12 13.539 3.514 0.553 72 3HG2 VAL 12 3HG2 VAL 12 12.317 4.784 0.376 73 H GLU 13 H GLU 13 10.748 4.470 -1.078 74 HA GLU 13 HA GLU 13 8.272 5.603 -0.230 75 1HB GLU 13 1HB GLU 13 9.880 6.087 -2.756 76 2HB GLU 13 2HB GLU 13 8.539 7.089 -2.182 77 1HG GLU 13 1HG GLU 13 9.716 7.663 -0.136 78 2HG GLU 13 2HG GLU 13 11.066 6.596 -0.551 79 H ASP 14 H ASP 14 9.032 3.253 -2.790 80 HA ASP 14 HA ASP 14 6.359 3.506 -4.004 81 1HB ASP 14 1HB ASP 14 8.656 1.579 -4.480 82 2HB ASP 14 2HB ASP 14 7.100 1.489 -5.306 83 H LEU 15 H LEU 15 8.049 1.512 -1.668 84 HA LEU 15 HA LEU 15 6.101 -0.573 -1.449 85 1HB LEU 15 1HB LEU 15 8.445 -0.747 -0.678 86 2HB LEU 15 2HB LEU 15 8.146 0.487 0.538 87 HG LEU 15 HG LEU 15 6.490 -1.010 1.654 88 1HD1 LEU 15 1HD1 LEU 15 6.456 -3.416 1.082 89 2HD1 LEU 15 2HD1 LEU 15 7.489 -3.107 -0.328 90 3HD1 LEU 15 3HD1 LEU 15 5.854 -2.457 -0.273 91 1HD2 LEU 15 1HD2 LEU 15 8.867 -0.912 2.345 92 2HD2 LEU 15 2HD2 LEU 15 9.250 -2.232 1.230 93 3HD2 LEU 15 3HD2 LEU 15 8.164 -2.513 2.608 94 H ILE 16 H ILE 16 6.644 2.430 0.498 95 HA ILE 16 HA ILE 16 4.327 1.992 2.136 96 HB ILE 16 HB ILE 16 4.592 4.281 2.902 97 1HG1 ILE 16 1HG1 ILE 16 6.572 4.562 0.639 98 2HG1 ILE 16 2HG1 ILE 16 5.128 5.507 0.927 99 1HG2 ILE 16 1HG2 ILE 16 7.252 2.842 2.709 100 2HG2 ILE 16 2HG2 ILE 16 6.742 3.980 3.977 101 3HG2 ILE 16 3HG2 ILE 16 5.935 2.418 3.820 102 1HD1 ILE 16 1HD1 ILE 16 7.649 5.599 2.593 103 2HD1 ILE 16 2HD1 ILE 16 7.075 6.823 1.444 104 3HD1 ILE 16 3HD1 ILE 16 6.151 6.507 2.919 105 H ARG 17 H ARG 17 4.747 3.952 -0.922 106 HA ARG 17 HA ARG 17 2.107 4.984 -0.654 107 1HB ARG 17 1HB ARG 17 3.960 4.670 -3.035 108 2HB ARG 17 2HB ARG 17 2.300 5.252 -3.249 109 1HG ARG 17 1HG ARG 17 2.675 7.041 -1.605 110 2HG ARG 17 2HG ARG 17 4.370 6.571 -1.445 111 1HD ARG 17 1HD ARG 17 3.309 7.120 -4.229 112 2HD ARG 17 2HD ARG 17 3.460 8.484 -3.132 113 HE ARG 17 HE ARG 17 5.722 8.396 -3.168 114 1HH1 ARG 17 1HH1 ARG 17 4.679 5.379 -4.780 115 2HH1 ARG 17 2HH1 ARG 17 6.242 5.132 -5.492 116 1HH2 ARG 17 1HH2 ARG 17 7.622 8.093 -4.173 117 2HH2 ARG 17 2HH2 ARG 17 7.852 6.787 -5.323 118 H PHE 18 H PHE 18 3.122 1.989 -1.885 119 HA PHE 18 HA PHE 18 0.545 1.402 -3.082 120 1HB PHE 18 1HB PHE 18 2.736 0.200 -3.594 121 2HB PHE 18 2HB PHE 18 2.481 -0.714 -2.116 122 HD1 PHE 18 HD1 PHE 18 1.645 -0.379 -5.626 123 HD2 PHE 18 HD2 PHE 18 0.287 -2.118 -1.921 124 HE1 PHE 18 HE1 PHE 18 0.088 -1.836 -6.881 125 HE2 PHE 18 HE2 PHE 18 -1.271 -3.579 -3.188 126 HZ PHE 18 HZ PHE 18 -1.381 -3.435 -5.663 127 H TYR 19 H TYR 19 1.919 0.896 0.140 128 HA TYR 19 HA TYR 19 -0.288 -0.633 1.181 129 1HB TYR 19 1HB TYR 19 2.195 -0.550 1.909 130 2HB TYR 19 2HB TYR 19 1.818 0.944 2.722 131 HD1 TYR 19 HD1 TYR 19 1.384 0.733 5.046 132 HD2 TYR 19 HD2 TYR 19 0.342 -2.506 2.398 133 HE1 TYR 19 HE1 TYR 19 0.698 -0.603 6.975 134 HE2 TYR 19 HE2 TYR 19 -0.302 -3.889 4.341 135 HH TYR 19 HH TYR 19 -0.500 -3.995 6.634 136 H ASN 20 H ASN 20 0.731 2.761 1.431 137 HA ASN 20 HA ASN 20 -1.341 3.547 3.283 138 1HB ASN 20 1HB ASN 20 0.609 5.064 1.530 139 2HB ASN 20 2HB ASN 20 -0.550 5.865 2.584 140 1HD2 ASN 20 2HD2 ASN 20 2.384 5.975 2.726 141 2HD2 ASN 20 1HD2 ASN 20 2.826 5.365 4.312 142 H ASP 21 H ASP 21 -0.990 3.840 -0.319 143 HA ASP 21 HA ASP 21 -3.355 5.382 -0.699 144 1HB ASP 21 1HB ASP 21 -1.869 3.488 -2.566 145 2HB ASP 21 2HB ASP 21 -3.319 4.340 -3.016 146 H LEU 22 H LEU 22 -2.806 1.961 -0.122 147 HA LEU 22 HA LEU 22 -5.298 0.918 -1.067 148 1HB LEU 22 1HB LEU 22 -3.110 -0.301 -0.509 149 2HB LEU 22 2HB LEU 22 -3.534 -0.098 1.187 150 HG LEU 22 HG LEU 22 -5.629 -1.446 0.761 151 1HD1 LEU 22 1HD1 LEU 22 -4.261 -1.840 -1.942 152 2HD1 LEU 22 2HD1 LEU 22 -5.888 -1.190 -1.651 153 3HD1 LEU 22 3HD1 LEU 22 -5.529 -2.892 -1.306 154 1HD2 LEU 22 1HD2 LEU 22 -4.450 -3.557 0.784 155 2HD2 LEU 22 2HD2 LEU 22 -3.568 -2.380 1.749 156 3HD2 LEU 22 3HD2 LEU 22 -2.966 -2.772 0.124 157 H GLN 23 H GLN 23 -4.456 2.656 1.849 158 HA GLN 23 HA GLN 23 -6.351 1.634 3.664 159 1HB GLN 23 1HB GLN 23 -5.255 4.470 3.445 160 2HB GLN 23 2HB GLN 23 -6.169 3.851 4.823 161 1HG GLN 23 1HG GLN 23 -4.547 2.060 5.174 162 2HG GLN 23 2HG GLN 23 -3.606 2.576 3.776 163 1HE2 GLN 23 2HE2 GLN 23 -2.222 2.210 5.874 164 2HE2 GLN 23 1HE2 GLN 23 -1.766 3.681 6.735 165 H GLN 24 H GLN 24 -6.879 4.428 1.490 166 HA GLN 24 HA GLN 24 -9.514 4.972 2.087 167 1HB GLN 24 1HB GLN 24 -7.951 6.241 0.609 168 2HB GLN 24 2HB GLN 24 -8.180 5.040 -0.655 169 1HG GLN 24 1HG GLN 24 -10.597 5.641 -0.761 170 2HG GLN 24 2HG GLN 24 -10.340 6.844 0.520 171 1HE2 GLN 24 2HE2 GLN 24 -9.376 8.829 -0.042 172 2HE2 GLN 24 1HE2 GLN 24 -8.910 9.277 -1.675 173 H TYR 25 H TYR 25 -8.265 2.434 -0.040 174 HA TYR 25 HA TYR 25 -10.655 1.635 -1.403 175 1HB TYR 25 1HB TYR 25 -8.071 0.844 -1.536 176 2HB TYR 25 2HB TYR 25 -8.679 -0.461 -0.528 177 HD1 TYR 25 HD1 TYR 25 -9.024 1.323 -3.746 178 HD2 TYR 25 HD2 TYR 25 -10.198 -2.178 -1.525 179 HE1 TYR 25 HE1 TYR 25 -9.889 0.332 -5.815 180 HE2 TYR 25 HE2 TYR 25 -11.045 -3.203 -3.611 181 HH TYR 25 HH TYR 25 -10.633 -1.681 -6.817 182 H LEU 26 H LEU 26 -9.327 0.025 1.657 183 HA LEU 26 HA LEU 26 -11.761 -1.204 1.980 184 1HB LEU 26 1HB LEU 26 -10.530 -2.308 3.495 185 2HB LEU 26 2HB LEU 26 -9.209 -1.471 2.818 186 HG LEU 26 HG LEU 26 -9.789 0.360 4.722 187 1HD1 LEU 26 1HD1 LEU 26 -10.404 -0.749 6.825 188 2HD1 LEU 26 2HD1 LEU 26 -10.668 -2.295 5.953 189 3HD1 LEU 26 3HD1 LEU 26 -11.728 -0.905 5.670 190 1HD2 LEU 26 1HD2 LEU 26 -7.659 -0.772 4.325 191 2HD2 LEU 26 2HD2 LEU 26 -8.249 -2.221 5.172 192 3HD2 LEU 26 3HD2 LEU 26 -8.049 -0.680 6.043 193 H ASN 27 H ASN 27 -10.837 2.024 2.898 194 HA ASN 27 HA ASN 27 -12.948 2.308 4.882 195 1HB ASN 27 1HB ASN 27 -10.647 3.612 4.391 196 2HB ASN 27 2HB ASN 27 -11.741 4.724 3.583 197 1HD2 ASN 27 2HD2 ASN 27 -10.192 5.123 6.011 198 2HD2 ASN 27 1HD2 ASN 27 -11.297 5.470 7.336 199 H VAL 28 H VAL 28 -13.027 2.143 1.571 200 HA VAL 28 HA VAL 28 -15.671 3.510 1.490 201 HB VAL 28 HB VAL 28 -13.548 3.769 -0.679 202 1HG1 VAL 28 1HG1 VAL 28 -16.260 5.136 -0.366 203 2HG1 VAL 28 2HG1 VAL 28 -15.070 5.456 -1.649 204 3HG1 VAL 28 3HG1 VAL 28 -15.859 3.876 -1.546 205 1HG2 VAL 28 1HG2 VAL 28 -12.867 5.172 1.247 206 2HG2 VAL 28 2HG2 VAL 28 -13.424 6.174 -0.085 207 3HG2 VAL 28 3HG2 VAL 28 -14.481 5.890 1.312 208 H VAL 29 H VAL 29 -13.621 1.248 -0.435 209 HA VAL 29 HA VAL 29 -15.787 0.249 -1.936 210 HB VAL 29 HB VAL 29 -12.983 -0.785 -1.406 211 1HG1 VAL 29 1HG1 VAL 29 -14.392 -2.728 -2.064 212 2HG1 VAL 29 2HG1 VAL 29 -15.087 -1.786 -3.403 213 3HG1 VAL 29 3HG1 VAL 29 -13.375 -2.236 -3.417 214 1HG2 VAL 29 1HG2 VAL 29 -14.242 0.632 -3.776 215 2HG2 VAL 29 2HG2 VAL 29 -13.116 1.336 -2.591 216 3HG2 VAL 29 3HG2 VAL 29 -12.574 0.043 -3.662 217 H THR 30 H THR 30 -14.070 -1.501 0.624 218 HA THR 30 HA THR 30 -16.199 -3.345 0.894 219 HB THR 30 HB THR 30 -14.883 -4.057 2.846 220 HG1 THR 30 HG1 THR 30 -13.869 -2.402 3.655 221 1HG2 THR 30 1HG2 THR 30 -14.332 -4.918 0.566 222 2HG2 THR 30 2HG2 THR 30 -12.913 -4.824 1.612 223 3HG2 THR 30 3HG2 THR 30 -13.178 -3.582 0.383 224 H ARG 31 H ARG 31 -15.492 -0.324 2.504 225 HA ARG 31 HA ARG 31 -17.328 -0.711 4.606 226 1HB ARG 31 1HB ARG 31 -15.460 1.176 4.188 227 2HB ARG 31 2HB ARG 31 -16.843 2.085 3.562 228 1HG ARG 31 1HG ARG 31 -17.988 1.517 5.843 229 2HG ARG 31 2HG ARG 31 -16.404 0.929 6.349 230 1HD ARG 31 1HD ARG 31 -16.561 3.143 7.157 231 2HD ARG 31 2HD ARG 31 -15.468 3.216 5.766 232 HE ARG 31 HE ARG 31 -18.324 3.750 5.216 233 1HH1 ARG 31 1HH1 ARG 31 -15.185 5.213 6.033 234 2HH1 ARG 31 2HH1 ARG 31 -15.740 6.843 5.873 235 1HH2 ARG 31 1HH2 ARG 31 -18.960 5.932 4.651 236 2HH2 ARG 31 2HH2 ARG 31 -17.962 7.249 5.053 237 H HIS 32 H HIS 32 -17.989 -0.139 1.390 238 HA HIS 32 HA HIS 32 -20.773 0.779 1.865 239 1HB HIS 32 1HB HIS 32 -18.888 0.680 -0.497 240 2HB HIS 32 2HB HIS 32 -20.598 0.866 -0.720 241 HD1 HIS 32 HD1 HIS 32 -20.519 3.320 -1.611 242 HD2 HIS 32 HD2 HIS 32 -18.738 2.742 2.160 243 HE1 HIS 32 HE1 HIS 32 -20.091 5.625 -0.656 244 H ARG 33 H ARG 33 -19.367 -2.060 2.148 245 HA ARG 33 HA ARG 33 -20.057 -4.190 2.186 246 1HB ARG 33 1HB ARG 33 -22.730 -3.443 0.969 247 2HB ARG 33 2HB ARG 33 -22.288 -4.869 1.897 248 1HG ARG 33 1HG ARG 33 -21.871 -3.362 3.905 249 2HG ARG 33 2HG ARG 33 -22.454 -2.001 2.949 250 1HD ARG 33 1HD ARG 33 -24.350 -2.619 4.133 251 2HD ARG 33 2HD ARG 33 -24.612 -3.387 2.571 252 HE ARG 33 HE ARG 33 -24.036 -5.505 3.484 253 1HH1 ARG 33 1HH1 ARG 33 -24.837 -3.113 5.961 254 2HH1 ARG 33 2HH1 ARG 33 -24.412 -4.174 7.276 255 1HH2 ARG 33 1HH2 ARG 33 -23.733 -6.958 5.320 256 2HH2 ARG 33 2HH2 ARG 33 -23.938 -6.274 6.928 257 H TYR 34 H TYR 34 -18.375 -4.581 0.770 258 HA TYR 34 HA TYR 34 -18.312 -4.084 -1.957 259 1HB TYR 34 1HB TYR 34 -16.518 -5.742 -2.095 260 2HB TYR 34 2HB TYR 34 -16.302 -4.648 -0.762 261 HD1 TYR 34 HD1 TYR 34 -16.759 -5.476 1.640 262 HD2 TYR 34 HD2 TYR 34 -16.735 -8.125 -1.775 263 HE1 TYR 34 HE1 TYR 34 -16.511 -7.381 3.135 264 HE2 TYR 34 HE2 TYR 34 -16.436 -10.067 -0.253 265 HH TYR 34 HH TYR 34 -16.164 -9.618 3.316 266 1HN NH2 35 1H NH2 35 -18.352 -5.562 -3.760 267 2HN NH2 35 2H NH2 35 -19.349 -7.006 -3.764 268 3HM EAB 10 3HM AZT 10 15.717 -0.972 -1.792 269 2HM EAB 10 2HM AZT 10 16.117 -0.096 -0.325 270 HL EAB 10 HL AZT 10 12.963 -0.571 0.702 271 HK2 EAB 10 HK2 AZT 10 12.086 -2.469 2.002 272 HJ2 EAB 10 HJ2 AZT 10 13.309 -4.629 2.065 273 HG1 EAB 10 HG1 AZT 10 14.826 -8.397 -0.605 274 HG2 EAB 10 HG2 AZT 10 17.737 -10.786 1.528 275 HD2 EAB 10 HD2 AZT 10 18.345 -8.809 2.885 276 HE EAB 10 HE AZT 10 17.230 -6.635 2.509 277 2HA EAB 10 2HA AZT 10 15.009 -11.412 -0.002 278 3HA EAB 10 3HA AZT 10 16.708 -11.667 -0.409 279 1HN EAB 10 H AZT 10 16.386 -10.194 -2.373 280 HJ1 EAB 10 HJ1 AZT 10 16.277 -3.015 -0.589 Start of MODEL 8 1 1H GLY 1 H GLY 1 -2.419 -5.197 -11.588 2 1HA GLY 1 1HA GLY 1 -3.394 -7.381 -11.166 3 2HA GLY 1 2HA GLY 1 -2.583 -7.962 -12.634 4 HA PRO 2 HA PRO 2 0.262 -7.830 -8.684 5 1HB PRO 2 1HB PRO 2 -0.322 -10.188 -7.358 6 2HB PRO 2 2HB PRO 2 -1.050 -8.600 -6.985 7 1HG PRO 2 1HG PRO 2 -2.189 -10.792 -8.739 8 2HG PRO 2 2HG PRO 2 -3.017 -9.873 -7.439 9 1HD PRO 2 1HD PRO 2 -3.308 -9.223 -10.042 10 2HD PRO 2 2HD PRO 2 -3.152 -7.939 -8.799 11 H SER 3 H SER 3 2.165 -8.297 -9.470 12 HA SER 3 HA SER 3 2.847 -10.954 -10.593 13 1HB SER 3 1HB SER 3 4.314 -9.589 -12.210 14 2HB SER 3 2HB SER 3 2.583 -9.603 -12.515 15 HG SER 3 HG SER 3 3.751 -7.494 -10.997 16 H GLN 4 H GLN 4 5.325 -11.068 -10.739 17 HA GLN 4 HA GLN 4 7.435 -10.880 -10.059 18 1HB GLN 4 1HB GLN 4 6.685 -8.698 -8.093 19 2HB GLN 4 2HB GLN 4 8.287 -9.231 -8.545 20 1HG GLN 4 1HG GLN 4 7.971 -8.517 -10.859 21 2HG GLN 4 2HG GLN 4 6.319 -7.990 -10.502 22 1HE2 GLN 4 2HE2 GLN 4 8.867 -7.413 -8.063 23 2HE2 GLN 4 1HE2 GLN 4 9.173 -5.763 -8.481 24 HA PRO 5 HA PRO 5 7.189 -13.908 -6.922 25 1HB PRO 5 1HB PRO 5 9.634 -13.875 -5.632 26 2HB PRO 5 2HB PRO 5 9.364 -14.550 -7.265 27 1HG PRO 5 1HG PRO 5 10.401 -11.809 -6.510 28 2HG PRO 5 2HG PRO 5 11.053 -12.948 -7.736 29 1HD PRO 5 1HD PRO 5 9.466 -10.893 -8.434 30 2HD PRO 5 2HD PRO 5 9.292 -12.474 -9.239 31 H THR 6 H THR 6 6.536 -14.165 -4.800 32 HA THR 6 HA THR 6 5.882 -11.732 -3.413 33 HB THR 6 HB THR 6 4.418 -13.731 -3.531 34 HG1 THR 6 HG1 THR 6 3.809 -13.598 -1.321 35 1HG2 THR 6 1HG2 THR 6 4.709 -15.583 -1.932 36 2HG2 THR 6 2HG2 THR 6 6.333 -14.991 -1.523 37 3HG2 THR 6 3HG2 THR 6 5.974 -15.572 -3.165 38 H TYR 7 H TYR 7 6.428 -11.341 -1.169 39 HA TYR 7 HA TYR 7 8.010 -10.547 0.220 40 1HB TYR 7 1HB TYR 7 8.572 -13.488 0.576 41 2HB TYR 7 2HB TYR 7 8.731 -12.215 1.787 42 HD1 TYR 7 HD1 TYR 7 6.308 -10.688 1.737 43 HD2 TYR 7 HD2 TYR 7 6.777 -14.923 1.024 44 HE1 TYR 7 HE1 TYR 7 3.916 -11.002 2.108 45 HE2 TYR 7 HE2 TYR 7 4.377 -15.268 1.467 46 HH TYR 7 HH TYR 7 2.150 -12.504 2.093 47 HA PRO 8 HA PRO 8 11.491 -11.007 -2.866 48 1HB PRO 8 1HB PRO 8 11.754 -8.393 -3.589 49 2HB PRO 8 2HB PRO 8 10.563 -9.515 -4.314 50 1HG PRO 8 1HG PRO 8 10.116 -7.510 -2.074 51 2HG PRO 8 2HG PRO 8 9.124 -7.750 -3.546 52 1HD PRO 8 1HD PRO 8 8.446 -8.889 -1.190 53 2HD PRO 8 2HD PRO 8 8.217 -9.751 -2.737 54 H GLY 9 H GLY 9 13.314 -11.405 -1.780 55 1HA GLY 9 1HA GLY 9 14.200 -9.786 0.494 56 2HA GLY 9 2HA GLY 9 15.008 -11.198 -0.224 57 HA PRO 11 HA PRO 11 13.218 4.491 -1.219 58 1HB PRO 11 1HB PRO 11 12.019 2.944 -3.121 59 2HB PRO 11 2HB PRO 11 13.759 3.346 -3.184 60 1HG PRO 11 1HG PRO 11 12.428 0.791 -2.271 61 2HG PRO 11 2HG PRO 11 13.904 0.995 -3.263 62 1HD PRO 11 1HD PRO 11 13.869 0.520 -0.538 63 2HD PRO 11 2HD PRO 11 15.219 1.323 -1.378 64 H VAL 12 H VAL 12 11.684 5.108 0.402 65 HA VAL 12 HA VAL 12 9.524 3.162 0.951 66 HB VAL 12 HB VAL 12 9.597 5.100 3.013 67 1HG1 VAL 12 1HG1 VAL 12 8.721 2.794 3.159 68 2HG1 VAL 12 2HG1 VAL 12 10.369 2.151 3.010 69 3HG1 VAL 12 3HG1 VAL 12 9.905 3.107 4.442 70 1HG2 VAL 12 1HG2 VAL 12 11.712 4.719 4.134 71 2HG2 VAL 12 2HG2 VAL 12 12.307 3.762 2.774 72 3HG2 VAL 12 3HG2 VAL 12 11.980 5.511 2.582 73 H GLU 13 H GLU 13 10.207 6.457 -0.060 74 HA GLU 13 HA GLU 13 7.635 7.534 0.388 75 1HB GLU 13 1HB GLU 13 9.710 8.784 -0.209 76 2HB GLU 13 2HB GLU 13 9.594 8.182 -1.861 77 1HG GLU 13 1HG GLU 13 7.508 9.419 -2.212 78 2HG GLU 13 2HG GLU 13 7.450 9.864 -0.493 79 H ASP 14 H ASP 14 8.800 5.457 -2.195 80 HA ASP 14 HA ASP 14 6.349 5.649 -3.767 81 1HB ASP 14 1HB ASP 14 7.595 4.158 -5.284 82 2HB ASP 14 2HB ASP 14 8.513 5.603 -4.896 83 H LEU 15 H LEU 15 7.476 3.851 -1.101 84 HA LEU 15 HA LEU 15 5.955 1.393 -1.762 85 1HB LEU 15 1HB LEU 15 8.258 1.231 -0.772 86 2HB LEU 15 2HB LEU 15 7.688 2.102 0.637 87 HG LEU 15 HG LEU 15 6.109 0.284 1.184 88 1HD1 LEU 15 1HD1 LEU 15 5.636 -0.688 -1.014 89 2HD1 LEU 15 2HD1 LEU 15 6.349 -1.923 0.022 90 3HD1 LEU 15 3HD1 LEU 15 7.348 -1.137 -1.223 91 1HD2 LEU 15 1HD2 LEU 15 8.991 -0.591 0.742 92 2HD2 LEU 15 2HD2 LEU 15 7.829 -1.356 1.863 93 3HD2 LEU 15 3HD2 LEU 15 8.369 0.307 2.142 94 H ILE 16 H ILE 16 6.031 4.029 0.715 95 HA ILE 16 HA ILE 16 3.813 3.129 2.208 96 HB ILE 16 HB ILE 16 3.628 5.461 3.010 97 1HG1 ILE 16 1HG1 ILE 16 5.510 6.073 0.720 98 2HG1 ILE 16 2HG1 ILE 16 3.995 6.841 1.156 99 1HG2 ILE 16 1HG2 ILE 16 5.757 5.522 4.128 100 2HG2 ILE 16 2HG2 ILE 16 5.173 3.877 3.989 101 3HG2 ILE 16 3HG2 ILE 16 6.490 4.436 2.931 102 1HD1 ILE 16 1HD1 ILE 16 5.831 8.305 1.646 103 2HD1 ILE 16 2HD1 ILE 16 5.113 7.781 3.188 104 3HD1 ILE 16 3HD1 ILE 16 6.654 7.082 2.616 105 H ARG 17 H ARG 17 3.847 4.904 -0.866 106 HA ARG 17 HA ARG 17 1.108 5.730 -0.612 107 1HB ARG 17 1HB ARG 17 2.786 5.261 -3.117 108 2HB ARG 17 2HB ARG 17 1.244 6.121 -3.089 109 1HG ARG 17 1HG ARG 17 2.194 7.925 -1.754 110 2HG ARG 17 2HG ARG 17 3.688 7.038 -1.505 111 1HD ARG 17 1HD ARG 17 4.071 8.698 -3.214 112 2HD ARG 17 2HD ARG 17 4.147 7.089 -3.947 113 HE ARG 17 HE ARG 17 1.496 8.308 -4.028 114 1HH1 ARG 17 1HH1 ARG 17 4.571 7.960 -5.853 115 2HH1 ARG 17 2HH1 ARG 17 3.866 8.439 -7.347 116 1HH2 ARG 17 1HH2 ARG 17 0.631 9.043 -6.063 117 2HH2 ARG 17 2HH2 ARG 17 1.684 9.156 -7.431 118 H PHE 18 H PHE 18 2.531 2.852 -1.701 119 HA PHE 18 HA PHE 18 0.194 1.729 -2.928 120 1HB PHE 18 1HB PHE 18 2.742 0.938 -2.888 121 2HB PHE 18 2HB PHE 18 2.226 -0.040 -1.538 122 HD1 PHE 18 HD1 PHE 18 2.721 -0.009 -4.983 123 HD2 PHE 18 HD2 PHE 18 -0.100 -1.438 -2.057 124 HE1 PHE 18 HE1 PHE 18 1.899 -1.683 -6.603 125 HE2 PHE 18 HE2 PHE 18 -0.939 -3.109 -3.703 126 HZ PHE 18 HZ PHE 18 0.060 -3.233 -5.963 127 H TYR 19 H TYR 19 1.523 1.587 0.365 128 HA TYR 19 HA TYR 19 -0.550 -0.119 1.390 129 1HB TYR 19 1HB TYR 19 1.858 0.529 2.356 130 2HB TYR 19 2HB TYR 19 0.930 1.741 3.233 131 HD1 TYR 19 HD1 TYR 19 -0.860 0.984 4.873 132 HD2 TYR 19 HD2 TYR 19 1.574 -1.827 2.697 133 HE1 TYR 19 HE1 TYR 19 -1.752 -0.862 6.261 134 HE2 TYR 19 HE2 TYR 19 0.700 -3.670 4.067 135 HH TYR 19 HH TYR 19 -1.693 -3.148 6.687 136 H ASN 20 H ASN 20 -0.053 3.421 1.482 137 HA ASN 20 HA ASN 20 -2.326 4.078 3.052 138 1HB ASN 20 1HB ASN 20 -0.625 5.575 1.035 139 2HB ASN 20 2HB ASN 20 -2.129 6.279 1.608 140 1HD2 ASN 20 2HD2 ASN 20 1.126 5.348 2.595 141 2HD2 ASN 20 1HD2 ASN 20 1.055 6.210 4.144 142 H ASP 21 H ASP 21 -1.948 3.681 -0.497 143 HA ASP 21 HA ASP 21 -4.617 4.390 -1.173 144 1HB ASP 21 1HB ASP 21 -2.519 2.723 -2.608 145 2HB ASP 21 2HB ASP 21 -4.085 3.147 -3.292 146 H LEU 22 H LEU 22 -3.090 1.184 -0.484 147 HA LEU 22 HA LEU 22 -5.475 -0.345 -1.037 148 1HB LEU 22 1HB LEU 22 -3.020 -0.868 0.686 149 2HB LEU 22 2HB LEU 22 -4.356 -2.008 0.615 150 HG LEU 22 HG LEU 22 -2.739 -1.145 -1.823 151 1HD1 LEU 22 1HD1 LEU 22 -1.371 -2.412 -0.230 152 2HD1 LEU 22 2HD1 LEU 22 -1.770 -3.455 -1.607 153 3HD1 LEU 22 3HD1 LEU 22 -2.635 -3.640 -0.071 154 1HD2 LEU 22 1HD2 LEU 22 -4.974 -1.876 -2.497 155 2HD2 LEU 22 2HD2 LEU 22 -4.855 -3.311 -1.459 156 3HD2 LEU 22 3HD2 LEU 22 -3.807 -3.137 -2.884 157 H GLN 23 H GLN 23 -4.215 1.199 1.929 158 HA GLN 23 HA GLN 23 -6.242 0.216 3.690 159 1HB GLN 23 1HB GLN 23 -4.515 2.713 3.711 160 2HB GLN 23 2HB GLN 23 -5.731 2.407 4.954 161 1HG GLN 23 1HG GLN 23 -4.663 0.284 5.535 162 2HG GLN 23 2HG GLN 23 -3.399 0.565 4.335 163 1HE2 GLN 23 2HE2 GLN 23 -3.270 3.555 5.010 164 2HE2 GLN 23 1HE2 GLN 23 -2.482 3.608 6.554 165 H GLN 24 H GLN 24 -6.123 3.278 1.737 166 HA GLN 24 HA GLN 24 -8.674 4.257 2.558 167 1HB GLN 24 1HB GLN 24 -7.134 4.564 -0.057 168 2HB GLN 24 2HB GLN 24 -8.664 5.379 0.243 169 1HG GLN 24 1HG GLN 24 -7.687 6.610 2.127 170 2HG GLN 24 2HG GLN 24 -6.132 5.817 1.864 171 1HE2 GLN 24 2HE2 GLN 24 -4.938 6.258 -0.144 172 2HE2 GLN 24 1HE2 GLN 24 -5.436 7.521 -1.243 173 H TYR 25 H TYR 25 -7.757 1.921 -0.028 174 HA TYR 25 HA TYR 25 -10.300 1.784 -1.355 175 1HB TYR 25 1HB TYR 25 -8.093 0.813 -2.155 176 2HB TYR 25 2HB TYR 25 -8.245 -0.444 -0.943 177 HD1 TYR 25 HD1 TYR 25 -9.284 0.696 -4.219 178 HD2 TYR 25 HD2 TYR 25 -10.165 -2.118 -1.061 179 HE1 TYR 25 HE1 TYR 25 -10.606 -0.679 -5.807 180 HE2 TYR 25 HE2 TYR 25 -11.508 -3.463 -2.633 181 HH TYR 25 HH TYR 25 -11.934 -3.835 -4.949 182 H LEU 26 H LEU 26 -8.957 -0.284 1.306 183 HA LEU 26 HA LEU 26 -11.502 -1.493 1.685 184 1HB LEU 26 1HB LEU 26 -10.061 -2.857 2.738 185 2HB LEU 26 2HB LEU 26 -8.831 -1.617 2.820 186 HG LEU 26 HG LEU 26 -9.898 -0.802 4.984 187 1HD1 LEU 26 1HD1 LEU 26 -11.312 -3.515 4.734 188 2HD1 LEU 26 2HD1 LEU 26 -12.099 -1.929 4.862 189 3HD1 LEU 26 3HD1 LEU 26 -11.188 -2.563 6.228 190 1HD2 LEU 26 1HD2 LEU 26 -8.710 -3.601 4.768 191 2HD2 LEU 26 2HD2 LEU 26 -8.797 -2.640 6.256 192 3HD2 LEU 26 3HD2 LEU 26 -7.822 -2.066 4.904 193 H ASN 27 H ASN 27 -10.080 1.384 3.180 194 HA ASN 27 HA ASN 27 -12.174 1.781 5.049 195 1HB ASN 27 1HB ASN 27 -9.726 3.112 4.338 196 2HB ASN 27 2HB ASN 27 -10.973 4.313 4.226 197 1HD2 ASN 27 2HD2 ASN 27 -11.328 5.388 6.113 198 2HD2 ASN 27 1HD2 ASN 27 -10.827 4.761 7.679 199 H VAL 28 H VAL 28 -12.395 2.271 1.654 200 HA VAL 28 HA VAL 28 -14.856 3.912 2.097 201 HB VAL 28 HB VAL 28 -12.760 4.411 -0.048 202 1HG1 VAL 28 1HG1 VAL 28 -14.090 6.507 -0.433 203 2HG1 VAL 28 2HG1 VAL 28 -15.012 5.049 -0.790 204 3HG1 VAL 28 3HG1 VAL 28 -15.302 5.903 0.727 205 1HG2 VAL 28 1HG2 VAL 28 -13.340 5.866 2.557 206 2HG2 VAL 28 2HG2 VAL 28 -11.786 5.219 2.004 207 3HG2 VAL 28 3HG2 VAL 28 -12.474 6.640 1.218 208 H VAL 29 H VAL 29 -13.181 1.572 -0.066 209 HA VAL 29 HA VAL 29 -15.442 1.418 -1.849 210 HB VAL 29 HB VAL 29 -12.924 -0.280 -1.651 211 1HG1 VAL 29 1HG1 VAL 29 -13.611 -1.002 -3.960 212 2HG1 VAL 29 2HG1 VAL 29 -14.714 -1.579 -2.707 213 3HG1 VAL 29 3HG1 VAL 29 -15.162 -0.178 -3.703 214 1HG2 VAL 29 1HG2 VAL 29 -12.293 0.979 -3.697 215 2HG2 VAL 29 2HG2 VAL 29 -13.745 1.985 -3.525 216 3HG2 VAL 29 3HG2 VAL 29 -12.460 2.044 -2.300 217 H THR 30 H THR 30 -14.005 -1.016 0.294 218 HA THR 30 HA THR 30 -16.364 -2.533 0.295 219 HB THR 30 HB THR 30 -15.262 -3.697 2.134 220 HG1 THR 30 HG1 THR 30 -13.982 -2.225 3.110 221 1HG2 THR 30 1HG2 THR 30 -14.789 -4.327 -0.246 222 2HG2 THR 30 2HG2 THR 30 -13.367 -4.571 0.783 223 3HG2 THR 30 3HG2 THR 30 -13.452 -3.159 -0.277 224 H ARG 31 H ARG 31 -15.269 0.099 2.300 225 HA ARG 31 HA ARG 31 -17.148 -0.124 4.367 226 1HB ARG 31 1HB ARG 31 -15.152 1.439 4.224 227 2HB ARG 31 2HB ARG 31 -16.094 2.454 3.130 228 1HG ARG 31 1HG ARG 31 -16.012 3.375 5.381 229 2HG ARG 31 2HG ARG 31 -17.675 2.996 4.950 230 1HD ARG 31 1HD ARG 31 -17.634 0.967 6.297 231 2HD ARG 31 2HD ARG 31 -15.867 1.118 6.473 232 HE ARG 31 HE ARG 31 -17.425 3.359 7.508 233 1HH1 ARG 31 1HH1 ARG 31 -15.675 0.357 8.212 234 2HH1 ARG 31 2HH1 ARG 31 -15.288 0.750 9.851 235 1HH2 ARG 31 1HH2 ARG 31 -17.225 3.775 9.814 236 2HH2 ARG 31 2HH2 ARG 31 -16.244 2.720 10.786 237 H HIS 32 H HIS 32 -17.852 0.390 1.162 238 HA HIS 32 HA HIS 32 -20.595 1.257 1.860 239 1HB HIS 32 1HB HIS 32 -18.733 2.831 0.453 240 2HB HIS 32 2HB HIS 32 -19.692 2.106 -0.828 241 HD1 HIS 32 HD1 HIS 32 -21.871 3.451 -1.347 242 HD2 HIS 32 HD2 HIS 32 -20.261 4.090 2.511 243 HE1 HIS 32 HE1 HIS 32 -23.135 5.405 -0.355 244 H ARG 33 H ARG 33 -18.751 -1.001 0.470 245 HA ARG 33 HA ARG 33 -20.861 -2.837 -0.146 246 1HB ARG 33 1HB ARG 33 -20.451 -3.081 -2.593 247 2HB ARG 33 2HB ARG 33 -21.364 -1.663 -2.138 248 1HG ARG 33 1HG ARG 33 -19.596 -0.174 -2.644 249 2HG ARG 33 2HG ARG 33 -18.372 -1.435 -2.557 250 1HD ARG 33 1HD ARG 33 -19.509 -2.547 -4.571 251 2HD ARG 33 2HD ARG 33 -20.475 -1.079 -4.722 252 HE ARG 33 HE ARG 33 -18.675 0.027 -5.576 253 1HH1 ARG 33 1HH1 ARG 33 -17.511 -2.981 -4.078 254 2HH1 ARG 33 2HH1 ARG 33 -15.921 -2.906 -4.696 255 1HH2 ARG 33 1HH2 ARG 33 -16.529 0.230 -6.408 256 2HH2 ARG 33 2HH2 ARG 33 -15.403 -1.092 -6.225 257 H TYR 34 H TYR 34 -19.326 -3.752 1.441 258 HA TYR 34 HA TYR 34 -16.707 -4.600 0.750 259 1HB TYR 34 1HB TYR 34 -17.025 -5.989 2.838 260 2HB TYR 34 2HB TYR 34 -17.292 -4.280 3.065 261 HD1 TYR 34 HD1 TYR 34 -19.554 -3.349 3.431 262 HD2 TYR 34 HD2 TYR 34 -18.932 -7.582 2.882 263 HE1 TYR 34 HE1 TYR 34 -21.924 -3.792 4.094 264 HE2 TYR 34 HE2 TYR 34 -21.258 -8.026 3.588 265 HH TYR 34 HH TYR 34 -23.370 -5.735 4.995 266 1HN NH2 35 1H NH2 35 -19.856 -5.955 -0.053 267 2HN NH2 35 2H NH2 35 -19.204 -7.505 -0.567 268 3HM EAB 10 3HM AZT 10 16.419 2.184 0.829 269 2HM EAB 10 2HM AZT 10 15.729 2.690 2.369 270 HL EAB 10 HL AZT 10 12.971 1.261 2.176 271 HK2 EAB 10 HK2 AZT 10 12.324 -1.076 2.523 272 HJ2 EAB 10 HJ2 AZT 10 13.943 -2.908 2.155 273 HG1 EAB 10 HG1 AZT 10 15.911 -5.826 -0.206 274 HG2 EAB 10 HG2 AZT 10 19.901 -7.444 0.031 275 HD2 EAB 10 HD2 AZT 10 20.604 -5.501 1.401 276 HE EAB 10 HE AZT 10 19.018 -3.709 1.928 277 2HA EAB 10 2HA AZT 10 18.337 -8.478 -1.341 278 3HA EAB 10 3HA AZT 10 17.071 -7.437 -2.009 279 1HN EAB 10 H AZT 10 16.466 -8.875 0.503 280 HJ1 EAB 10 HJ1 AZT 10 16.979 -0.007 1.172 Start of MODEL 9 1 1H GLY 1 H GLY 1 2.509 -16.082 -14.217 2 1HA GLY 1 1HA GLY 1 0.332 -16.461 -13.118 3 2HA GLY 1 2HA GLY 1 1.249 -16.754 -11.617 4 HA PRO 2 HA PRO 2 1.234 -12.064 -12.950 5 1HB PRO 2 1HB PRO 2 -1.296 -11.079 -12.948 6 2HB PRO 2 2HB PRO 2 -0.509 -11.771 -14.379 7 1HG PRO 2 1HG PRO 2 -2.453 -13.118 -12.488 8 2HG PRO 2 2HG PRO 2 -2.452 -13.115 -14.283 9 1HD PRO 2 1HD PRO 2 -1.398 -15.165 -12.809 10 2HD PRO 2 2HD PRO 2 -0.710 -14.673 -14.385 11 H SER 3 H SER 3 2.264 -12.041 -11.015 12 HA SER 3 HA SER 3 0.709 -11.248 -8.621 13 1HB SER 3 1HB SER 3 3.058 -13.211 -8.802 14 2HB SER 3 2HB SER 3 2.311 -12.661 -7.300 15 HG SER 3 HG SER 3 0.315 -13.550 -8.127 16 H GLN 4 H GLN 4 1.774 -9.881 -7.235 17 HA GLN 4 HA GLN 4 4.361 -8.679 -8.110 18 1HB GLN 4 1HB GLN 4 1.726 -7.297 -7.496 19 2HB GLN 4 2HB GLN 4 3.257 -6.476 -7.255 20 1HG GLN 4 1HG GLN 4 2.354 -7.689 -9.893 21 2HG GLN 4 2HG GLN 4 2.144 -6.001 -9.444 22 1HE2 GLN 4 2HE2 GLN 4 4.494 -5.172 -8.346 23 2HE2 GLN 4 1HE2 GLN 4 5.809 -5.403 -9.486 24 HA PRO 5 HA PRO 5 4.123 -9.983 -3.602 25 1HB PRO 5 1HB PRO 5 6.249 -11.651 -3.483 26 2HB PRO 5 2HB PRO 5 4.698 -12.208 -4.194 27 1HG PRO 5 1HG PRO 5 7.138 -11.133 -5.657 28 2HG PRO 5 2HG PRO 5 6.242 -12.648 -5.992 29 1HD PRO 5 1HD PRO 5 5.745 -10.322 -7.350 30 2HD PRO 5 2HD PRO 5 4.458 -11.500 -6.967 31 H THR 6 H THR 6 6.083 -9.438 -1.913 32 HA THR 6 HA THR 6 7.999 -7.627 -3.202 33 HB THR 6 HB THR 6 7.656 -6.096 -1.434 34 HG1 THR 6 HG1 THR 6 5.341 -7.438 -0.578 35 1HG2 THR 6 1HG2 THR 6 5.516 -5.097 -2.065 36 2HG2 THR 6 2HG2 THR 6 4.934 -6.640 -2.708 37 3HG2 THR 6 3HG2 THR 6 6.274 -5.803 -3.497 38 H TYR 7 H TYR 7 9.983 -7.460 -2.138 39 HA TYR 7 HA TYR 7 10.500 -9.403 0.054 40 1HB TYR 7 1HB TYR 7 12.150 -9.196 -2.475 41 2HB TYR 7 2HB TYR 7 12.484 -10.204 -1.071 42 HD1 TYR 7 HD1 TYR 7 10.508 -11.856 -0.360 43 HD2 TYR 7 HD2 TYR 7 10.972 -10.150 -4.298 44 HE1 TYR 7 HE1 TYR 7 9.041 -13.617 -1.291 45 HE2 TYR 7 HE2 TYR 7 9.523 -11.898 -5.235 46 HH TYR 7 HH TYR 7 8.489 -13.925 -4.802 47 HA PRO 8 HA PRO 8 12.279 -5.233 0.900 48 1HB PRO 8 1HB PRO 8 11.802 -5.123 3.581 49 2HB PRO 8 2HB PRO 8 10.497 -4.889 2.378 50 1HG PRO 8 1HG PRO 8 11.198 -7.423 3.861 51 2HG PRO 8 2HG PRO 8 9.584 -6.656 3.688 52 1HD PRO 8 1HD PRO 8 10.453 -8.687 2.065 53 2HD PRO 8 2HD PRO 8 9.369 -7.395 1.466 54 H GLY 9 H GLY 9 14.159 -4.619 2.327 55 1HA GLY 9 1HA GLY 9 15.638 -6.091 4.052 56 2HA GLY 9 2HA GLY 9 16.063 -6.835 2.508 57 HA PRO 11 HA PRO 11 12.211 5.590 -0.345 58 1HB PRO 11 1HB PRO 11 10.708 3.480 -1.242 59 2HB PRO 11 2HB PRO 11 12.288 3.887 -1.965 60 1HG PRO 11 1HG PRO 11 11.654 1.695 0.005 61 2HG PRO 11 2HG PRO 11 12.761 1.667 -1.389 62 1HD PRO 11 1HD PRO 11 13.537 2.072 1.262 63 2HD PRO 11 2HD PRO 11 14.477 2.615 -0.156 64 H VAL 12 H VAL 12 10.750 6.612 1.239 65 HA VAL 12 HA VAL 12 9.260 4.742 2.960 66 HB VAL 12 HB VAL 12 9.652 7.092 4.379 67 1HG1 VAL 12 1HG1 VAL 12 10.853 4.304 4.726 68 2HG1 VAL 12 2HG1 VAL 12 10.818 5.537 6.006 69 3HG1 VAL 12 3HG1 VAL 12 9.301 4.880 5.364 70 1HG2 VAL 12 1HG2 VAL 12 11.694 7.647 3.123 71 2HG2 VAL 12 2HG2 VAL 12 11.945 7.376 4.851 72 3HG2 VAL 12 3HG2 VAL 12 12.414 6.125 3.701 73 H GLU 13 H GLU 13 9.353 8.177 1.759 74 HA GLU 13 HA GLU 13 6.616 8.556 2.455 75 1HB GLU 13 1HB GLU 13 8.569 9.976 0.615 76 2HB GLU 13 2HB GLU 13 6.908 10.553 0.846 77 1HG GLU 13 1HG GLU 13 7.245 11.156 3.052 78 2HG GLU 13 2HG GLU 13 8.462 9.932 3.357 79 H ASP 14 H ASP 14 8.130 7.724 -0.702 80 HA ASP 14 HA ASP 14 5.517 7.490 -1.979 81 1HB ASP 14 1HB ASP 14 8.158 6.275 -2.859 82 2HB ASP 14 2HB ASP 14 6.701 6.429 -3.842 83 H LEU 15 H LEU 15 7.548 5.404 -0.095 84 HA LEU 15 HA LEU 15 6.544 2.833 -0.931 85 1HB LEU 15 1HB LEU 15 8.700 3.146 0.249 86 2HB LEU 15 2HB LEU 15 7.856 3.741 1.658 87 HG LEU 15 HG LEU 15 6.692 1.176 0.996 88 1HD1 LEU 15 1HD1 LEU 15 8.706 -0.237 1.312 89 2HD1 LEU 15 2HD1 LEU 15 9.722 1.203 1.123 90 3HD1 LEU 15 3HD1 LEU 15 8.714 0.671 -0.218 91 1HD2 LEU 15 1HD2 LEU 15 7.496 0.589 3.254 92 2HD2 LEU 15 2HD2 LEU 15 6.703 2.157 3.239 93 3HD2 LEU 15 3HD2 LEU 15 8.476 2.075 3.302 94 H ILE 16 H ILE 16 5.915 4.784 2.087 95 HA ILE 16 HA ILE 16 3.674 3.151 2.788 96 HB ILE 16 HB ILE 16 3.146 4.752 4.470 97 1HG1 ILE 16 1HG1 ILE 16 4.925 6.686 2.969 98 2HG1 ILE 16 2HG1 ILE 16 3.226 6.847 3.391 99 1HG2 ILE 16 1HG2 ILE 16 5.165 4.659 5.768 100 2HG2 ILE 16 2HG2 ILE 16 5.060 3.213 4.788 101 3HG2 ILE 16 3HG2 ILE 16 6.171 4.508 4.321 102 1HD1 ILE 16 1HD1 ILE 16 4.514 8.301 4.788 103 2HD1 ILE 16 2HD1 ILE 16 3.878 6.985 5.811 104 3HD1 ILE 16 3HD1 ILE 16 5.591 6.991 5.279 105 H ARG 17 H ARG 17 3.945 6.114 0.722 106 HA ARG 17 HA ARG 17 1.120 6.423 0.698 107 1HB ARG 17 1HB ARG 17 2.858 8.139 0.091 108 2HB ARG 17 2HB ARG 17 3.034 7.356 -1.482 109 1HG ARG 17 1HG ARG 17 0.859 7.986 -2.160 110 2HG ARG 17 2HG ARG 17 0.283 8.224 -0.513 111 1HD ARG 17 1HD ARG 17 2.361 9.983 -1.865 112 2HD ARG 17 2HD ARG 17 0.638 10.355 -1.749 113 HE ARG 17 HE ARG 17 1.827 9.758 0.826 114 1HH1 ARG 17 1HH1 ARG 17 1.507 12.334 -1.565 115 2HH1 ARG 17 2HH1 ARG 17 1.769 13.612 -0.475 116 1HH2 ARG 17 1HH2 ARG 17 2.412 11.493 2.305 117 2HH2 ARG 17 2HH2 ARG 17 2.308 13.120 1.789 118 H PHE 18 H PHE 18 3.096 4.277 -1.014 119 HA PHE 18 HA PHE 18 1.044 3.551 -3.011 120 1HB PHE 18 1HB PHE 18 3.483 3.404 -3.475 121 2HB PHE 18 2HB PHE 18 3.657 2.183 -2.219 122 HD1 PHE 18 HD1 PHE 18 2.786 2.836 -5.690 123 HD2 PHE 18 HD2 PHE 18 2.519 -0.090 -2.529 124 HE1 PHE 18 HE1 PHE 18 2.314 1.073 -7.359 125 HE2 PHE 18 HE2 PHE 18 2.025 -1.840 -4.197 126 HZ PHE 18 HZ PHE 18 1.920 -1.275 -6.619 127 H TYR 19 H TYR 19 2.324 2.369 0.120 128 HA TYR 19 HA TYR 19 0.696 -0.002 0.128 129 1HB TYR 19 1HB TYR 19 2.889 0.473 1.404 130 2HB TYR 19 2HB TYR 19 1.878 1.229 2.621 131 HD1 TYR 19 HD1 TYR 19 0.476 -0.127 4.072 132 HD2 TYR 19 HD2 TYR 19 2.447 -1.930 0.688 133 HE1 TYR 19 HE1 TYR 19 -0.417 -2.328 4.738 134 HE2 TYR 19 HE2 TYR 19 1.561 -4.138 1.331 135 HH TYR 19 HH TYR 19 -0.926 -4.467 3.836 136 H ASN 20 H ASN 20 0.384 3.090 1.845 137 HA ASN 20 HA ASN 20 -1.902 2.653 3.393 138 1HB ASN 20 1HB ASN 20 -0.828 5.152 2.021 139 2HB ASN 20 2HB ASN 20 -2.213 5.175 3.078 140 1HD2 ASN 20 2HD2 ASN 20 0.434 6.500 3.368 141 2HD2 ASN 20 1HD2 ASN 20 0.917 6.104 4.999 142 H ASP 21 H ASP 21 -1.656 3.378 -0.049 143 HA ASP 21 HA ASP 21 -4.326 4.234 -0.529 144 1HB ASP 21 1HB ASP 21 -2.073 4.236 -1.961 145 2HB ASP 21 2HB ASP 21 -2.742 2.757 -2.624 146 H LEU 22 H LEU 22 -2.828 0.979 -0.441 147 HA LEU 22 HA LEU 22 -4.986 -0.430 -1.615 148 1HB LEU 22 1HB LEU 22 -2.728 -1.374 -1.244 149 2HB LEU 22 2HB LEU 22 -2.989 -1.328 0.497 150 HG LEU 22 HG LEU 22 -4.830 -2.975 0.287 151 1HD1 LEU 22 1HD1 LEU 22 -5.606 -2.547 -2.016 152 2HD1 LEU 22 2HD1 LEU 22 -5.101 -4.228 -1.855 153 3HD1 LEU 22 3HD1 LEU 22 -4.031 -3.056 -2.666 154 1HD2 LEU 22 1HD2 LEU 22 -2.544 -3.693 0.753 155 2HD2 LEU 22 2HD2 LEU 22 -2.207 -3.834 -0.997 156 3HD2 LEU 22 3HD2 LEU 22 -3.410 -4.904 -0.222 157 H GLN 23 H GLN 23 -4.450 0.745 1.662 158 HA GLN 23 HA GLN 23 -6.753 -0.602 2.789 159 1HB GLN 23 1HB GLN 23 -4.963 1.596 3.866 160 2HB GLN 23 2HB GLN 23 -6.394 1.023 4.721 161 1HG GLN 23 1HG GLN 23 -4.503 -0.159 5.594 162 2HG GLN 23 2HG GLN 23 -5.517 -1.294 4.708 163 1HE2 GLN 23 2HE2 GLN 23 -2.534 0.741 4.359 164 2HE2 GLN 23 1HE2 GLN 23 -1.909 -0.220 3.014 165 H GLN 24 H GLN 24 -6.326 2.338 0.905 166 HA GLN 24 HA GLN 24 -8.733 3.658 1.903 167 1HB GLN 24 1HB GLN 24 -6.866 4.895 0.757 168 2HB GLN 24 2HB GLN 24 -7.288 4.074 -0.750 169 1HG GLN 24 1HG GLN 24 -9.585 5.002 -0.615 170 2HG GLN 24 2HG GLN 24 -9.145 5.859 0.867 171 1HE2 GLN 24 2HE2 GLN 24 -7.345 7.531 0.672 172 2HE2 GLN 24 1HE2 GLN 24 -7.173 8.354 -0.852 173 H TYR 25 H TYR 25 -7.820 1.593 -0.906 174 HA TYR 25 HA TYR 25 -10.521 1.245 -1.907 175 1HB TYR 25 1HB TYR 25 -8.402 1.020 -3.239 176 2HB TYR 25 2HB TYR 25 -7.946 -0.373 -2.267 177 HD1 TYR 25 HD1 TYR 25 -10.604 0.865 -4.660 178 HD2 TYR 25 HD2 TYR 25 -8.537 -2.520 -2.972 179 HE1 TYR 25 HE1 TYR 25 -11.856 -0.663 -6.173 180 HE2 TYR 25 HE2 TYR 25 -9.758 -4.035 -4.502 181 HH TYR 25 HH TYR 25 -11.169 -4.174 -6.307 182 H LEU 26 H LEU 26 -9.513 0.331 1.052 183 HA LEU 26 HA LEU 26 -11.270 -2.002 1.102 184 1HB LEU 26 1HB LEU 26 -9.179 -2.728 1.867 185 2HB LEU 26 2HB LEU 26 -8.772 -1.179 2.555 186 HG LEU 26 HG LEU 26 -10.327 -1.486 4.380 187 1HD1 LEU 26 1HD1 LEU 26 -11.959 -3.034 3.287 188 2HD1 LEU 26 2HD1 LEU 26 -11.373 -3.694 4.803 189 3HD1 LEU 26 3HD1 LEU 26 -10.725 -4.306 3.256 190 1HD2 LEU 26 1HD2 LEU 26 -8.997 -3.187 5.582 191 2HD2 LEU 26 2HD2 LEU 26 -7.966 -2.128 4.607 192 3HD2 LEU 26 3HD2 LEU 26 -8.341 -3.763 4.036 193 H ASN 27 H ASN 27 -10.235 0.752 3.180 194 HA ASN 27 HA ASN 27 -12.548 0.964 4.667 195 1HB ASN 27 1HB ASN 27 -10.536 2.219 5.211 196 2HB ASN 27 2HB ASN 27 -10.648 3.151 3.706 197 1HD2 ASN 27 2HD2 ASN 27 -11.615 5.214 3.940 198 2HD2 ASN 27 1HD2 ASN 27 -13.003 5.470 4.953 199 H VAL 28 H VAL 28 -11.953 2.556 1.543 200 HA VAL 28 HA VAL 28 -14.435 4.100 1.623 201 HB VAL 28 HB VAL 28 -12.516 3.455 -0.657 202 1HG1 VAL 28 1HG1 VAL 28 -13.545 5.281 -1.917 203 2HG1 VAL 28 2HG1 VAL 28 -14.733 4.009 -1.606 204 3HG1 VAL 28 3HG1 VAL 28 -14.766 5.495 -0.651 205 1HG2 VAL 28 1HG2 VAL 28 -11.545 4.865 1.149 206 2HG2 VAL 28 2HG2 VAL 28 -11.810 5.817 -0.312 207 3HG2 VAL 28 3HG2 VAL 28 -12.934 5.960 1.048 208 H VAL 29 H VAL 29 -13.408 1.003 0.212 209 HA VAL 29 HA VAL 29 -15.842 0.556 -1.136 210 HB VAL 29 HB VAL 29 -13.286 -0.493 -1.085 211 1HG1 VAL 29 1HG1 VAL 29 -15.179 -2.794 -0.322 212 2HG1 VAL 29 2HG1 VAL 29 -13.512 -2.941 -0.885 213 3HG1 VAL 29 3HG1 VAL 29 -13.832 -2.209 0.671 214 1HG2 VAL 29 1HG2 VAL 29 -14.013 -1.793 -3.005 215 2HG2 VAL 29 2HG2 VAL 29 -15.718 -1.709 -2.469 216 3HG2 VAL 29 3HG2 VAL 29 -14.886 -0.249 -3.000 217 H THR 30 H THR 30 -14.722 -0.641 2.007 218 HA THR 30 HA THR 30 -17.114 -1.940 2.613 219 HB THR 30 HB THR 30 -16.373 -1.671 4.905 220 HG1 THR 30 HG1 THR 30 -15.088 0.065 5.161 221 1HG2 THR 30 1HG2 THR 30 -14.350 -3.129 4.735 222 2HG2 THR 30 2HG2 THR 30 -14.228 -2.709 3.014 223 3HG2 THR 30 3HG2 THR 30 -15.621 -3.622 3.601 224 H ARG 31 H ARG 31 -16.334 1.469 2.777 225 HA ARG 31 HA ARG 31 -18.335 2.224 4.596 226 1HB ARG 31 1HB ARG 31 -16.383 3.630 3.669 227 2HB ARG 31 2HB ARG 31 -17.345 3.843 2.216 228 1HG ARG 31 1HG ARG 31 -17.461 5.794 3.548 229 2HG ARG 31 2HG ARG 31 -19.059 5.052 3.557 230 1HD ARG 31 1HD ARG 31 -17.030 4.521 5.757 231 2HD ARG 31 2HD ARG 31 -18.046 5.964 5.769 232 HE ARG 31 HE ARG 31 -19.843 3.928 5.357 233 1HH1 ARG 31 1HH1 ARG 31 -17.568 4.921 7.873 234 2HH1 ARG 31 2HH1 ARG 31 -18.343 4.089 9.166 235 1HH2 ARG 31 1HH2 ARG 31 -20.973 2.871 7.029 236 2HH2 ARG 31 2HH2 ARG 31 -20.542 3.094 8.690 237 H HIS 32 H HIS 32 -18.635 1.091 1.482 238 HA HIS 32 HA HIS 32 -21.551 1.545 1.420 239 1HB HIS 32 1HB HIS 32 -19.414 2.362 -0.500 240 2HB HIS 32 2HB HIS 32 -20.788 1.596 -1.227 241 HD1 HIS 32 HD1 HIS 32 -22.871 3.125 -1.651 242 HD2 HIS 32 HD2 HIS 32 -20.054 4.665 1.085 243 HE1 HIS 32 HE1 HIS 32 -23.634 5.463 -1.093 244 H ARG 33 H ARG 33 -19.387 -0.788 1.843 245 HA ARG 33 HA ARG 33 -21.118 -2.803 0.560 246 1HB ARG 33 1HB ARG 33 -18.978 -2.069 -0.885 247 2HB ARG 33 2HB ARG 33 -18.102 -3.040 0.290 248 1HG ARG 33 1HG ARG 33 -20.029 -4.854 -0.505 249 2HG ARG 33 2HG ARG 33 -19.961 -3.812 -1.907 250 1HD ARG 33 1HD ARG 33 -18.338 -5.461 -2.396 251 2HD ARG 33 2HD ARG 33 -17.369 -4.124 -1.802 252 HE ARG 33 HE ARG 33 -16.765 -5.385 0.038 253 1HH1 ARG 33 1HH1 ARG 33 -19.259 -7.157 -1.747 254 2HH1 ARG 33 2HH1 ARG 33 -19.186 -8.549 -0.729 255 1HH2 ARG 33 1HH2 ARG 33 -16.637 -7.165 1.308 256 2HH2 ARG 33 2HH2 ARG 33 -17.548 -8.632 0.991 257 H TYR 34 H TYR 34 -20.183 -1.962 3.339 258 HA TYR 34 HA TYR 34 -20.140 -4.746 4.325 259 1HB TYR 34 1HB TYR 34 -17.778 -3.387 4.096 260 2HB TYR 34 2HB TYR 34 -18.220 -2.951 5.736 261 HD1 TYR 34 HD1 TYR 34 -17.250 -4.387 7.367 262 HD2 TYR 34 HD2 TYR 34 -18.198 -5.975 3.458 263 HE1 TYR 34 HE1 TYR 34 -16.149 -6.513 7.963 264 HE2 TYR 34 HE2 TYR 34 -17.099 -8.096 4.043 265 HH TYR 34 HH TYR 34 -15.798 -9.199 5.601 266 1HN NH2 35 1H NH2 35 -20.129 -4.639 6.908 267 2HN NH2 35 2H NH2 35 -21.317 -3.518 7.540 268 3HM EAB 10 3HM AZT 10 15.935 3.842 1.454 269 2HM EAB 10 2HM AZT 10 15.788 5.093 2.678 270 HL EAB 10 HL AZT 10 12.954 3.981 3.753 271 HK2 EAB 10 HK2 AZT 10 12.639 2.376 5.610 272 HJ2 EAB 10 HJ2 AZT 10 14.376 0.705 6.128 273 HG1 EAB 10 HG1 AZT 10 17.413 -1.904 3.503 274 HG2 EAB 10 HG2 AZT 10 20.576 -4.145 5.391 275 HD2 EAB 10 HD2 AZT 10 20.365 -2.728 7.422 276 HE EAB 10 HE AZT 10 18.683 -0.896 7.496 277 2HA EAB 10 2HA AZT 10 19.985 -4.569 3.090 278 3HA EAB 10 3HA AZT 10 18.944 -3.423 2.201 279 1HN EAB 10 H AZT 10 18.065 -5.819 3.760 280 HJ1 EAB 10 HJ1 AZT 10 16.805 2.221 2.905 Start of MODEL 10 1 1H GLY 1 H GLY 1 12.687 3.760 -12.629 2 1HA GLY 1 1HA GLY 1 14.539 5.018 -13.732 3 2HA GLY 1 2HA GLY 1 13.700 6.489 -13.185 4 HA PRO 2 HA PRO 2 16.537 4.544 -9.853 5 1HB PRO 2 1HB PRO 2 18.625 6.371 -9.843 6 2HB PRO 2 2HB PRO 2 18.595 4.854 -10.790 7 1HG PRO 2 1HG PRO 2 17.892 7.649 -11.706 8 2HG PRO 2 2HG PRO 2 18.907 6.435 -12.541 9 1HD PRO 2 1HD PRO 2 16.301 6.821 -13.214 10 2HD PRO 2 2HD PRO 2 17.006 5.181 -13.204 11 H SER 3 H SER 3 15.059 7.558 -10.578 12 HA SER 3 HA SER 3 15.359 8.919 -8.079 13 1HB SER 3 1HB SER 3 13.080 9.910 -9.360 14 2HB SER 3 2HB SER 3 14.734 10.492 -9.559 15 HG SER 3 HG SER 3 13.273 8.750 -11.244 16 H GLN 4 H GLN 4 13.184 6.402 -9.339 17 HA GLN 4 HA GLN 4 11.963 6.106 -6.740 18 1HB GLN 4 1HB GLN 4 10.501 7.819 -7.953 19 2HB GLN 4 2HB GLN 4 10.130 6.559 -9.127 20 1HG GLN 4 1HG GLN 4 8.342 6.635 -7.525 21 2HG GLN 4 2HG GLN 4 9.221 5.151 -7.252 22 1HE2 GLN 4 2HE2 GLN 4 8.210 8.217 -5.872 23 2HE2 GLN 4 1HE2 GLN 4 9.055 8.059 -4.345 24 HA PRO 5 HA PRO 5 13.049 2.385 -9.288 25 1HB PRO 5 1HB PRO 5 14.626 1.089 -7.553 26 2HB PRO 5 2HB PRO 5 15.195 2.555 -8.401 27 1HG PRO 5 1HG PRO 5 14.066 2.391 -5.577 28 2HG PRO 5 2HG PRO 5 15.577 3.190 -6.123 29 1HD PRO 5 1HD PRO 5 13.174 4.511 -5.818 30 2HD PRO 5 2HD PRO 5 14.404 5.000 -7.011 31 H THR 6 H THR 6 10.615 2.366 -8.881 32 HA THR 6 HA THR 6 9.311 1.168 -6.832 33 HB THR 6 HB THR 6 8.608 1.093 -9.780 34 HG1 THR 6 HG1 THR 6 7.467 3.105 -8.590 35 1HG2 THR 6 1HG2 THR 6 6.735 1.185 -7.384 36 2HG2 THR 6 2HG2 THR 6 6.947 -0.177 -8.499 37 3HG2 THR 6 3HG2 THR 6 6.288 1.343 -9.084 38 H TYR 7 H TYR 7 11.483 -0.477 -8.846 39 HA TYR 7 HA TYR 7 10.489 -3.109 -7.864 40 1HB TYR 7 1HB TYR 7 10.050 -2.875 -10.304 41 2HB TYR 7 2HB TYR 7 11.767 -2.626 -10.574 42 HD1 TYR 7 HD1 TYR 7 13.328 -4.522 -10.469 43 HD2 TYR 7 HD2 TYR 7 9.220 -5.005 -9.215 44 HE1 TYR 7 HE1 TYR 7 13.644 -6.964 -10.405 45 HE2 TYR 7 HE2 TYR 7 9.500 -7.467 -9.227 46 HH TYR 7 HH TYR 7 10.932 -9.244 -9.763 47 HA PRO 8 HA PRO 8 14.632 -1.741 -6.354 48 1HB PRO 8 1HB PRO 8 14.325 -2.293 -3.706 49 2HB PRO 8 2HB PRO 8 13.632 -0.828 -4.465 50 1HG PRO 8 1HG PRO 8 12.228 -3.437 -3.827 51 2HG PRO 8 2HG PRO 8 11.675 -1.756 -3.546 52 1HD PRO 8 1HD PRO 8 10.914 -3.244 -5.725 53 2HD PRO 8 2HD PRO 8 11.048 -1.460 -5.730 54 H GLY 9 H GLY 9 15.587 -3.401 -7.572 55 1HA GLY 9 1HA GLY 9 15.444 -6.195 -6.678 56 2HA GLY 9 2HA GLY 9 16.435 -5.547 -8.005 57 HA PRO 11 HA PRO 11 12.520 4.854 -1.622 58 1HB PRO 11 1HB PRO 11 10.696 3.729 -3.210 59 2HB PRO 11 2HB PRO 11 12.393 3.893 -3.730 60 1HG PRO 11 1HG PRO 11 11.053 1.429 -2.549 61 2HG PRO 11 2HG PRO 11 12.060 1.542 -4.024 62 1HD PRO 11 1HD PRO 11 13.064 0.812 -1.577 63 2HD PRO 11 2HD PRO 11 14.045 1.696 -2.785 64 H VAL 12 H VAL 12 12.276 4.481 0.917 65 HA VAL 12 HA VAL 12 10.261 3.115 2.132 66 HB VAL 12 HB VAL 12 10.465 5.316 3.617 67 1HG1 VAL 12 1HG1 VAL 12 11.316 3.032 4.177 68 2HG1 VAL 12 2HG1 VAL 12 12.826 3.457 3.343 69 3HG1 VAL 12 3HG1 VAL 12 12.326 4.349 4.793 70 1HG2 VAL 12 1HG2 VAL 12 11.705 6.701 1.946 71 2HG2 VAL 12 2HG2 VAL 12 12.475 6.544 3.529 72 3HG2 VAL 12 3HG2 VAL 12 13.100 5.607 2.170 73 H GLU 13 H GLU 13 10.165 6.272 0.555 74 HA GLU 13 HA GLU 13 7.530 7.051 1.236 75 1HB GLU 13 1HB GLU 13 7.929 8.721 -0.569 76 2HB GLU 13 2HB GLU 13 9.249 8.626 0.596 77 1HG GLU 13 1HG GLU 13 10.682 7.448 -0.933 78 2HG GLU 13 2HG GLU 13 9.354 7.110 -2.050 79 H ASP 14 H ASP 14 8.616 4.782 -1.242 80 HA ASP 14 HA ASP 14 6.079 5.079 -2.802 81 1HB ASP 14 1HB ASP 14 8.254 4.979 -3.960 82 2HB ASP 14 2HB ASP 14 8.515 3.348 -3.289 83 H LEU 15 H LEU 15 7.962 2.943 -0.712 84 HA LEU 15 HA LEU 15 6.399 0.606 -0.840 85 1HB LEU 15 1HB LEU 15 8.694 1.484 0.538 86 2HB LEU 15 2HB LEU 15 7.544 1.261 1.833 87 HG LEU 15 HG LEU 15 8.868 -0.713 1.548 88 1HD1 LEU 15 1HD1 LEU 15 6.119 -1.343 0.407 89 2HD1 LEU 15 2HD1 LEU 15 6.458 -1.024 2.127 90 3HD1 LEU 15 3HD1 LEU 15 7.185 -2.415 1.317 91 1HD2 LEU 15 1HD2 LEU 15 7.887 -0.934 -1.334 92 2HD2 LEU 15 2HD2 LEU 15 8.968 -2.041 -0.480 93 3HD2 LEU 15 3HD2 LEU 15 9.505 -0.399 -0.828 94 H ILE 16 H ILE 16 6.231 3.432 1.352 95 HA ILE 16 HA ILE 16 3.741 2.498 2.560 96 HB ILE 16 HB ILE 16 3.767 4.553 3.824 97 1HG1 ILE 16 1HG1 ILE 16 5.938 5.503 1.935 98 2HG1 ILE 16 2HG1 ILE 16 4.359 6.202 2.215 99 1HG2 ILE 16 1HG2 ILE 16 6.464 3.186 3.601 100 2HG2 ILE 16 2HG2 ILE 16 5.971 4.194 4.965 101 3HG2 ILE 16 3HG2 ILE 16 5.095 2.703 4.594 102 1HD1 ILE 16 1HD1 ILE 16 6.687 6.207 4.159 103 2HD1 ILE 16 2HD1 ILE 16 5.968 7.579 3.312 104 3HD1 ILE 16 3HD1 ILE 16 5.039 6.746 4.569 105 H ARG 17 H ARG 17 4.473 4.379 -0.349 106 HA ARG 17 HA ARG 17 1.902 5.763 -0.294 107 1HB ARG 17 1HB ARG 17 3.633 6.816 -1.586 108 2HB ARG 17 2HB ARG 17 4.087 5.284 -2.327 109 1HG ARG 17 1HG ARG 17 3.164 6.721 -3.963 110 2HG ARG 17 2HG ARG 17 2.137 5.308 -3.780 111 1HD ARG 17 1HD ARG 17 0.391 6.510 -2.844 112 2HD ARG 17 2HD ARG 17 1.470 7.754 -2.163 113 HE ARG 17 HE ARG 17 1.850 8.143 -4.779 114 1HH1 ARG 17 1HH1 ARG 17 -1.292 7.627 -3.126 115 2HH1 ARG 17 2HH1 ARG 17 -2.079 8.887 -3.964 116 1HH2 ARG 17 1HH2 ARG 17 0.695 9.921 -5.902 117 2HH2 ARG 17 2HH2 ARG 17 -0.910 10.303 -5.366 118 H PHE 18 H PHE 18 3.093 2.844 -1.542 119 HA PHE 18 HA PHE 18 0.750 2.127 -2.988 120 1HB PHE 18 1HB PHE 18 3.087 1.093 -3.068 121 2HB PHE 18 2HB PHE 18 2.654 0.161 -1.639 122 HD1 PHE 18 HD1 PHE 18 1.698 0.922 -5.170 123 HD2 PHE 18 HD2 PHE 18 1.488 -1.941 -1.944 124 HE1 PHE 18 HE1 PHE 18 0.867 -0.816 -6.756 125 HE2 PHE 18 HE2 PHE 18 0.689 -3.664 -3.551 126 HZ PHE 18 HZ PHE 18 0.379 -3.091 -5.946 127 H TYR 19 H TYR 19 1.778 1.537 0.359 128 HA TYR 19 HA TYR 19 -0.542 0.029 1.071 129 1HB TYR 19 1HB TYR 19 1.875 0.260 2.190 130 2HB TYR 19 2HB TYR 19 1.036 1.428 3.203 131 HD1 TYR 19 HD1 TYR 19 -0.849 0.673 4.684 132 HD2 TYR 19 HD2 TYR 19 1.222 -2.097 2.092 133 HE1 TYR 19 HE1 TYR 19 -2.017 -1.206 5.765 134 HE2 TYR 19 HE2 TYR 19 0.076 -3.980 3.186 135 HH TYR 19 HH TYR 19 -2.251 -3.506 5.864 136 H ASN 20 H ASN 20 0.299 3.480 1.562 137 HA ASN 20 HA ASN 20 -1.988 4.113 3.162 138 1HB ASN 20 1HB ASN 20 -0.018 5.751 1.549 139 2HB ASN 20 2HB ASN 20 -1.459 6.485 2.229 140 1HD2 ASN 20 2HD2 ASN 20 1.743 5.620 3.003 141 2HD2 ASN 20 1HD2 ASN 20 1.573 6.124 4.710 142 H ASP 21 H ASP 21 -1.626 3.559 -0.245 143 HA ASP 21 HA ASP 21 -4.155 4.911 -0.982 144 1HB ASP 21 1HB ASP 21 -1.916 3.511 -2.470 145 2HB ASP 21 2HB ASP 21 -3.505 3.682 -3.201 146 H LEU 22 H LEU 22 -2.714 1.624 -0.807 147 HA LEU 22 HA LEU 22 -4.854 0.048 -1.507 148 1HB LEU 22 1HB LEU 22 -2.611 -0.801 -1.170 149 2HB LEU 22 2HB LEU 22 -2.651 -0.367 0.538 150 HG LEU 22 HG LEU 22 -4.400 -2.078 0.953 151 1HD1 LEU 22 1HD1 LEU 22 -5.466 -2.251 -1.228 152 2HD1 LEU 22 2HD1 LEU 22 -4.743 -3.810 -0.819 153 3HD1 LEU 22 3HD1 LEU 22 -3.934 -2.750 -1.986 154 1HD2 LEU 22 1HD2 LEU 22 -2.881 -4.014 0.689 155 2HD2 LEU 22 2HD2 LEU 22 -2.037 -2.587 1.307 156 3HD2 LEU 22 3HD2 LEU 22 -1.856 -3.049 -0.396 157 H GLN 23 H GLN 23 -4.093 1.162 1.844 158 HA GLN 23 HA GLN 23 -6.257 -0.102 3.141 159 1HB GLN 23 1HB GLN 23 -5.957 1.578 4.914 160 2HB GLN 23 2HB GLN 23 -4.400 0.971 4.345 161 1HG GLN 23 1HG GLN 23 -4.080 3.002 2.989 162 2HG GLN 23 2HG GLN 23 -5.651 3.623 3.475 163 1HE2 GLN 23 2HE2 GLN 23 -4.211 5.558 4.090 164 2HE2 GLN 23 1HE2 GLN 23 -3.596 5.520 5.720 165 H GLN 24 H GLN 24 -6.296 2.890 1.234 166 HA GLN 24 HA GLN 24 -8.812 3.807 2.186 167 1HB GLN 24 1HB GLN 24 -6.817 4.865 0.715 168 2HB GLN 24 2HB GLN 24 -7.925 4.461 -0.595 169 1HG GLN 24 1HG GLN 24 -9.747 5.747 0.507 170 2HG GLN 24 2HG GLN 24 -8.705 6.061 1.893 171 1HE2 GLN 24 2HE2 GLN 24 -7.805 6.217 -1.597 172 2HE2 GLN 24 1HE2 GLN 24 -7.362 7.912 -1.545 173 H TYR 25 H TYR 25 -8.025 1.213 0.180 174 HA TYR 25 HA TYR 25 -10.406 1.143 -1.556 175 1HB TYR 25 1HB TYR 25 -8.211 -0.159 -1.906 176 2HB TYR 25 2HB TYR 25 -8.731 -1.229 -0.615 177 HD1 TYR 25 HD1 TYR 25 -9.450 0.032 -4.020 178 HD2 TYR 25 HD2 TYR 25 -10.563 -2.843 -0.993 179 HE1 TYR 25 HE1 TYR 25 -10.763 -1.198 -5.692 180 HE2 TYR 25 HE2 TYR 25 -11.881 -4.097 -2.673 181 HH TYR 25 HH TYR 25 -11.908 -3.172 -6.141 182 H LEU 26 H LEU 26 -9.629 -1.039 1.313 183 HA LEU 26 HA LEU 26 -12.297 -1.474 1.730 184 1HB LEU 26 1HB LEU 26 -11.395 -2.976 3.141 185 2HB LEU 26 2HB LEU 26 -9.856 -2.396 2.643 186 HG LEU 26 HG LEU 26 -9.928 -0.748 4.641 187 1HD1 LEU 26 1HD1 LEU 26 -12.326 -1.116 5.349 188 2HD1 LEU 26 2HD1 LEU 26 -11.204 -1.606 6.607 189 3HD1 LEU 26 3HD1 LEU 26 -11.985 -2.828 5.585 190 1HD2 LEU 26 1HD2 LEU 26 -8.427 -2.670 4.456 191 2HD2 LEU 26 2HD2 LEU 26 -9.691 -3.756 5.071 192 3HD2 LEU 26 3HD2 LEU 26 -9.001 -2.486 6.112 193 H ASN 27 H ASN 27 -10.341 1.165 3.146 194 HA ASN 27 HA ASN 27 -12.308 1.951 5.017 195 1HB ASN 27 1HB ASN 27 -9.784 2.826 4.401 196 2HB ASN 27 2HB ASN 27 -10.728 4.153 3.722 197 1HD2 ASN 27 2HD2 ASN 27 -8.875 4.273 5.922 198 2HD2 ASN 27 1HD2 ASN 27 -9.744 4.513 7.438 199 H VAL 28 H VAL 28 -12.519 2.145 1.616 200 HA VAL 28 HA VAL 28 -14.836 4.009 1.861 201 HB VAL 28 HB VAL 28 -12.805 3.813 -0.400 202 1HG1 VAL 28 1HG1 VAL 28 -15.428 5.316 -0.196 203 2HG1 VAL 28 2HG1 VAL 28 -14.138 5.739 -1.374 204 3HG1 VAL 28 3HG1 VAL 28 -14.928 4.154 -1.448 205 1HG2 VAL 28 1HG2 VAL 28 -12.362 6.201 0.133 206 2HG2 VAL 28 2HG2 VAL 28 -13.506 6.102 1.503 207 3HG2 VAL 28 3HG2 VAL 28 -11.992 5.159 1.521 208 H VAL 29 H VAL 29 -13.464 1.589 -0.413 209 HA VAL 29 HA VAL 29 -15.784 0.992 -1.743 210 HB VAL 29 HB VAL 29 -13.252 -0.623 -1.358 211 1HG1 VAL 29 1HG1 VAL 29 -15.496 -0.947 -3.400 212 2HG1 VAL 29 2HG1 VAL 29 -13.927 -1.785 -3.430 213 3HG1 VAL 29 3HG1 VAL 29 -15.076 -2.124 -2.130 214 1HG2 VAL 29 1HG2 VAL 29 -14.188 1.260 -3.556 215 2HG2 VAL 29 2HG2 VAL 29 -12.878 1.565 -2.396 216 3HG2 VAL 29 3HG2 VAL 29 -12.709 0.274 -3.584 217 H THR 30 H THR 30 -14.541 -1.186 0.768 218 HA THR 30 HA THR 30 -17.043 -2.532 0.798 219 HB THR 30 HB THR 30 -16.076 -3.676 2.660 220 HG1 THR 30 HG1 THR 30 -14.153 -3.253 3.476 221 1HG2 THR 30 1HG2 THR 30 -15.580 -4.515 0.402 222 2HG2 THR 30 2HG2 THR 30 -14.150 -4.744 1.423 223 3HG2 THR 30 3HG2 THR 30 -14.190 -3.410 0.267 224 H ARG 31 H ARG 31 -15.649 0.102 2.682 225 HA ARG 31 HA ARG 31 -17.679 0.135 4.655 226 1HB ARG 31 1HB ARG 31 -15.356 1.342 4.564 227 2HB ARG 31 2HB ARG 31 -16.227 2.645 3.735 228 1HG ARG 31 1HG ARG 31 -17.744 2.854 5.720 229 2HG ARG 31 2HG ARG 31 -16.929 1.469 6.457 230 1HD ARG 31 1HD ARG 31 -16.017 3.359 7.499 231 2HD ARG 31 2HD ARG 31 -14.769 2.796 6.377 232 HE ARG 31 HE ARG 31 -15.749 4.579 4.799 233 1HH1 ARG 31 1HH1 ARG 31 -14.708 4.845 8.131 234 2HH1 ARG 31 2HH1 ARG 31 -14.671 6.594 8.112 235 1HH2 ARG 31 1HH2 ARG 31 -15.658 6.921 4.767 236 2HH2 ARG 31 2HH2 ARG 31 -15.137 7.722 6.222 237 H HIS 32 H HIS 32 -17.837 1.045 1.460 238 HA HIS 32 HA HIS 32 -20.273 2.696 1.588 239 1HB HIS 32 1HB HIS 32 -18.243 1.967 -0.562 240 2HB HIS 32 2HB HIS 32 -19.824 2.470 -1.028 241 HD1 HIS 32 HD1 HIS 32 -18.972 4.790 -2.083 242 HD2 HIS 32 HD2 HIS 32 -17.977 4.154 1.954 243 HE1 HIS 32 HE1 HIS 32 -18.650 7.101 -1.041 244 H ARG 33 H ARG 33 -19.873 -0.415 2.105 245 HA ARG 33 HA ARG 33 -21.158 -2.271 1.975 246 1HB ARG 33 1HB ARG 33 -23.399 -0.709 0.688 247 2HB ARG 33 2HB ARG 33 -23.491 -2.149 1.699 248 1HG ARG 33 1HG ARG 33 -22.655 -0.678 3.612 249 2HG ARG 33 2HG ARG 33 -22.800 0.704 2.536 250 1HD ARG 33 1HD ARG 33 -25.032 -1.136 3.424 251 2HD ARG 33 2HD ARG 33 -24.798 0.523 3.955 252 HE ARG 33 HE ARG 33 -26.136 -0.419 1.618 253 1HH1 ARG 33 1HH1 ARG 33 -24.169 2.337 2.817 254 2HH1 ARG 33 2HH1 ARG 33 -24.780 3.417 1.607 255 1HH2 ARG 33 1HH2 ARG 33 -26.803 1.093 -0.092 256 2HH2 ARG 33 2HH2 ARG 33 -26.298 2.739 0.019 257 H TYR 34 H TYR 34 -19.285 -2.527 0.343 258 HA TYR 34 HA TYR 34 -20.436 -3.543 -2.085 259 1HB TYR 34 1HB TYR 34 -19.816 -1.002 -2.446 260 2HB TYR 34 2HB TYR 34 -18.154 -1.582 -2.432 261 HD1 TYR 34 HD1 TYR 34 -17.238 -1.989 -4.570 262 HD2 TYR 34 HD2 TYR 34 -21.476 -2.534 -3.958 263 HE1 TYR 34 HE1 TYR 34 -17.516 -2.622 -6.952 264 HE2 TYR 34 HE2 TYR 34 -21.735 -3.234 -6.307 265 HH TYR 34 HH TYR 34 -20.638 -3.740 -8.303 266 1HN NH2 35 1H NH2 35 -18.153 -4.304 -3.436 267 2HN NH2 35 2H NH2 35 -17.163 -5.254 -2.347 268 3HM EAB 10 3HM AZT 10 15.635 1.696 -0.747 269 2HM EAB 10 2HM AZT 10 15.729 2.336 0.890 270 HL EAB 10 HL AZT 10 12.899 1.766 1.889 271 HK2 EAB 10 HK2 AZT 10 11.847 -0.302 2.723 272 HJ2 EAB 10 HJ2 AZT 10 12.706 -2.523 2.018 273 HG1 EAB 10 HG1 AZT 10 16.493 -3.714 -2.817 274 HG2 EAB 10 HG2 AZT 10 18.291 -7.456 -1.647 275 HD2 EAB 10 HD2 AZT 10 17.313 -7.215 0.618 276 HE EAB 10 HE AZT 10 15.966 -5.210 1.183 277 2HA EAB 10 2HA AZT 10 18.678 -6.620 -3.773 278 3HA EAB 10 3HA AZT 10 18.805 -4.850 -3.861 279 1HN EAB 10 H AZT 10 16.232 -6.141 -4.552 280 HJ1 EAB 10 HJ1 AZT 10 15.693 -0.570 -0.397 Start of MODEL 11 1 1H GLY 1 H GLY 1 12.079 -9.490 -3.377 2 1HA GLY 1 1HA GLY 1 10.671 -7.513 -3.431 3 2HA GLY 1 2HA GLY 1 9.723 -8.216 -2.109 4 HA PRO 2 HA PRO 2 12.551 -5.678 0.298 5 1HB PRO 2 1HB PRO 2 11.549 -6.108 2.793 6 2HB PRO 2 2HB PRO 2 10.680 -5.140 1.565 7 1HG PRO 2 1HG PRO 2 10.253 -8.043 2.302 8 2HG PRO 2 2HG PRO 2 9.017 -6.755 2.109 9 1HD PRO 2 1HD PRO 2 9.678 -8.549 0.128 10 2HD PRO 2 2HD PRO 2 9.144 -6.874 -0.236 11 H SER 3 H SER 3 13.900 -6.226 2.517 12 HA SER 3 HA SER 3 14.899 -9.013 2.266 13 1HB SER 3 1HB SER 3 16.417 -6.378 2.439 14 2HB SER 3 2HB SER 3 17.165 -7.948 2.800 15 HG SER 3 HG SER 3 17.229 -7.020 0.558 16 H GLN 4 H GLN 4 15.048 -10.091 4.046 17 HA GLN 4 HA GLN 4 15.025 -10.749 6.155 18 1HB GLN 4 1HB GLN 4 15.997 -7.961 6.896 19 2HB GLN 4 2HB GLN 4 16.204 -9.431 7.829 20 1HG GLN 4 1HG GLN 4 17.664 -10.397 6.112 21 2HG GLN 4 2HG GLN 4 17.489 -8.952 5.108 22 1HE2 GLN 4 2HE2 GLN 4 20.027 -10.066 6.236 23 2HE2 GLN 4 1HE2 GLN 4 20.614 -8.763 7.250 24 HA PRO 5 HA PRO 5 11.075 -9.618 7.755 25 1HB PRO 5 1HB PRO 5 11.066 -10.401 10.370 26 2HB PRO 5 2HB PRO 5 11.189 -11.564 9.013 27 1HG PRO 5 1HG PRO 5 13.451 -10.342 10.627 28 2HG PRO 5 2HG PRO 5 13.162 -12.086 10.310 29 1HD PRO 5 1HD PRO 5 14.888 -10.632 8.838 30 2HD PRO 5 2HD PRO 5 13.857 -11.866 8.060 31 H THR 6 H THR 6 10.069 -8.372 9.940 32 HA THR 6 HA THR 6 11.830 -6.166 10.679 33 HB THR 6 HB THR 6 10.683 -5.651 8.474 34 HG1 THR 6 HG1 THR 6 11.439 -4.030 9.768 35 1HG2 THR 6 1HG2 THR 6 8.146 -5.502 10.162 36 2HG2 THR 6 2HG2 THR 6 8.493 -6.733 8.948 37 3HG2 THR 6 3HG2 THR 6 8.311 -5.051 8.457 38 H TYR 7 H TYR 7 11.187 -5.077 12.576 39 HA TYR 7 HA TYR 7 8.978 -6.237 14.146 40 1HB TYR 7 1HB TYR 7 11.919 -6.527 14.621 41 2HB TYR 7 2HB TYR 7 11.015 -5.945 15.988 42 HD1 TYR 7 HD1 TYR 7 10.116 -7.488 17.505 43 HD2 TYR 7 HD2 TYR 7 10.795 -8.680 13.408 44 HE1 TYR 7 HE1 TYR 7 9.350 -9.754 18.023 45 HE2 TYR 7 HE2 TYR 7 9.977 -10.946 13.922 46 HH TYR 7 HH TYR 7 8.839 -11.866 17.209 47 HA PRO 8 HA PRO 8 8.512 -2.032 15.380 48 1HB PRO 8 1HB PRO 8 7.487 -2.105 17.890 49 2HB PRO 8 2HB PRO 8 6.633 -2.799 16.480 50 1HG PRO 8 1HG PRO 8 8.367 -4.274 18.491 51 2HG PRO 8 2HG PRO 8 6.723 -4.704 17.926 52 1HD PRO 8 1HD PRO 8 8.965 -5.793 16.861 53 2HD PRO 8 2HD PRO 8 7.512 -5.481 15.874 54 H GLY 9 H GLY 9 10.909 -1.648 15.192 55 1HA GLY 9 1HA GLY 9 12.125 0.059 16.581 56 2HA GLY 9 2HA GLY 9 12.237 -1.164 17.833 57 HA PRO 11 HA PRO 11 12.095 8.014 5.076 58 1HB PRO 11 1HB PRO 11 12.283 7.032 2.539 59 2HB PRO 11 2HB PRO 11 13.760 7.406 3.469 60 1HG PRO 11 1HG PRO 11 12.422 4.702 3.208 61 2HG PRO 11 2HG PRO 11 14.140 5.116 2.870 62 1HD PRO 11 1HD PRO 11 13.358 4.085 5.256 63 2HD PRO 11 2HD PRO 11 14.590 5.380 5.163 64 H VAL 12 H VAL 12 10.509 6.464 6.604 65 HA VAL 12 HA VAL 12 8.599 4.679 5.572 66 HB VAL 12 HB VAL 12 8.696 6.297 8.142 67 1HG1 VAL 12 1HG1 VAL 12 6.456 5.304 7.838 68 2HG1 VAL 12 2HG1 VAL 12 7.209 3.703 7.612 69 3HG1 VAL 12 3HG1 VAL 12 7.355 4.555 9.165 70 1HG2 VAL 12 1HG2 VAL 12 10.667 4.982 8.052 71 2HG2 VAL 12 2HG2 VAL 12 9.590 4.169 9.134 72 3HG2 VAL 12 3HG2 VAL 12 9.793 3.541 7.480 73 H GLU 13 H GLU 13 8.408 8.240 6.187 74 HA GLU 13 HA GLU 13 5.691 8.475 5.893 75 1HB GLU 13 1HB GLU 13 6.145 10.873 5.375 76 2HB GLU 13 2HB GLU 13 7.215 10.294 6.632 77 1HG GLU 13 1HG GLU 13 8.964 9.869 4.809 78 2HG GLU 13 2HG GLU 13 7.897 10.725 3.702 79 H ASP 14 H ASP 14 7.922 7.962 3.251 80 HA ASP 14 HA ASP 14 5.703 8.370 1.287 81 1HB ASP 14 1HB ASP 14 8.708 8.160 0.964 82 2HB ASP 14 2HB ASP 14 7.569 8.211 -0.390 83 H LEU 15 H LEU 15 7.109 5.926 3.075 84 HA LEU 15 HA LEU 15 6.822 3.785 1.075 85 1HB LEU 15 1HB LEU 15 8.738 3.900 2.753 86 2HB LEU 15 2HB LEU 15 7.540 3.699 4.029 87 HG LEU 15 HG LEU 15 6.977 1.482 3.239 88 1HD1 LEU 15 1HD1 LEU 15 8.356 0.349 1.496 89 2HD1 LEU 15 2HD1 LEU 15 9.081 1.915 1.082 90 3HD1 LEU 15 3HD1 LEU 15 7.343 1.633 0.823 91 1HD2 LEU 15 1HD2 LEU 15 9.040 0.385 3.882 92 2HD2 LEU 15 2HD2 LEU 15 8.889 1.902 4.802 93 3HD2 LEU 15 3HD2 LEU 15 9.992 1.817 3.425 94 H ILE 16 H ILE 16 5.320 5.032 4.133 95 HA ILE 16 HA ILE 16 3.337 2.940 4.098 96 HB ILE 16 HB ILE 16 2.198 4.149 5.834 97 1HG1 ILE 16 1HG1 ILE 16 4.154 6.435 5.400 98 2HG1 ILE 16 2HG1 ILE 16 2.406 6.467 5.138 99 1HG2 ILE 16 1HG2 ILE 16 5.197 4.101 6.269 100 2HG2 ILE 16 2HG2 ILE 16 3.940 3.900 7.509 101 3HG2 ILE 16 3HG2 ILE 16 4.146 2.677 6.253 102 1HD1 ILE 16 1HD1 ILE 16 3.825 6.167 7.809 103 2HD1 ILE 16 2HD1 ILE 16 2.876 7.541 7.238 104 3HD1 ILE 16 3HD1 ILE 16 2.067 6.003 7.578 105 H ARG 17 H ARG 17 3.310 6.353 2.854 106 HA ARG 17 HA ARG 17 0.628 6.230 2.056 107 1HB ARG 17 1HB ARG 17 2.034 8.278 2.199 108 2HB ARG 17 2HB ARG 17 2.907 7.786 0.739 109 1HG ARG 17 1HG ARG 17 0.936 8.023 -0.630 110 2HG ARG 17 2HG ARG 17 -0.121 8.212 0.779 111 1HD ARG 17 1HD ARG 17 2.055 10.165 -0.085 112 2HD ARG 17 2HD ARG 17 0.321 10.356 -0.388 113 HE ARG 17 HE ARG 17 0.478 9.925 2.332 114 1HH1 ARG 17 1HH1 ARG 17 2.278 12.283 0.337 115 2HH1 ARG 17 2HH1 ARG 17 2.253 13.475 1.570 116 1HH2 ARG 17 1HH2 ARG 17 0.618 11.445 3.941 117 2HH2 ARG 17 2HH2 ARG 17 1.211 13.044 3.613 118 H PHE 18 H PHE 18 3.295 4.822 0.517 119 HA PHE 18 HA PHE 18 2.014 4.410 -2.064 120 1HB PHE 18 1HB PHE 18 4.470 4.379 -1.788 121 2HB PHE 18 2HB PHE 18 4.362 2.970 -0.738 122 HD1 PHE 18 HD1 PHE 18 3.402 4.136 -4.177 123 HD2 PHE 18 HD2 PHE 18 4.464 0.779 -1.688 124 HE1 PHE 18 HE1 PHE 18 3.545 2.704 -6.177 125 HE2 PHE 18 HE2 PHE 18 4.494 -0.681 -3.690 126 HZ PHE 18 HZ PHE 18 4.065 0.280 -5.952 127 H TYR 19 H TYR 19 2.361 2.504 0.906 128 HA TYR 19 HA TYR 19 1.013 0.170 -0.231 129 1HB TYR 19 1HB TYR 19 2.878 0.345 1.587 130 2HB TYR 19 2HB TYR 19 1.585 0.688 2.705 131 HD1 TYR 19 HD1 TYR 19 0.976 -1.178 3.990 132 HD2 TYR 19 HD2 TYR 19 2.197 -1.805 -0.109 133 HE1 TYR 19 HE1 TYR 19 0.646 -3.619 4.252 134 HE2 TYR 19 HE2 TYR 19 1.849 -4.227 0.159 135 HH TYR 19 HH TYR 19 1.105 -5.952 1.582 136 H ASN 20 H ASN 20 0.204 2.816 1.957 137 HA ASN 20 HA ASN 20 -2.330 1.800 2.819 138 1HB ASN 20 1HB ASN 20 -1.048 4.549 2.935 139 2HB ASN 20 2HB ASN 20 -2.700 4.269 3.416 140 1HD2 ASN 20 2HD2 ASN 20 0.565 2.993 4.046 141 2HD2 ASN 20 1HD2 ASN 20 0.112 2.172 5.521 142 H ASP 21 H ASP 21 -1.358 3.338 -0.185 143 HA ASP 21 HA ASP 21 -3.890 4.452 -0.923 144 1HB ASP 21 1HB ASP 21 -1.983 5.085 -2.203 145 2HB ASP 21 2HB ASP 21 -1.524 3.411 -2.500 146 H LEU 22 H LEU 22 -2.473 1.157 -1.408 147 HA LEU 22 HA LEU 22 -4.700 0.154 -2.870 148 1HB LEU 22 1HB LEU 22 -2.713 -1.311 -1.098 149 2HB LEU 22 2HB LEU 22 -3.880 -2.110 -2.159 150 HG LEU 22 HG LEU 22 -1.671 -0.243 -3.106 151 1HD1 LEU 22 1HD1 LEU 22 -0.782 -2.352 -2.232 152 2HD1 LEU 22 2HD1 LEU 22 -0.629 -2.278 -3.983 153 3HD1 LEU 22 3HD1 LEU 22 -1.920 -3.275 -3.278 154 1HD2 LEU 22 1HD2 LEU 22 -3.649 -1.954 -4.678 155 2HD2 LEU 22 2HD2 LEU 22 -2.237 -1.134 -5.377 156 3HD2 LEU 22 3HD2 LEU 22 -3.546 -0.178 -4.682 157 H GLN 23 H GLN 23 -4.356 0.732 0.553 158 HA GLN 23 HA GLN 23 -6.562 -1.054 1.354 159 1HB GLN 23 1HB GLN 23 -5.306 1.296 2.790 160 2HB GLN 23 2HB GLN 23 -6.412 0.143 3.510 161 1HG GLN 23 1HG GLN 23 -4.764 -1.663 3.287 162 2HG GLN 23 2HG GLN 23 -3.619 -0.546 2.513 163 1HE2 GLN 23 2HE2 GLN 23 -4.250 1.771 4.202 164 2HE2 GLN 23 1HE2 GLN 23 -3.356 1.497 5.652 165 H GLN 24 H GLN 24 -6.483 1.901 -0.451 166 HA GLN 24 HA GLN 24 -8.655 3.260 0.842 167 1HB GLN 24 1HB GLN 24 -6.995 4.235 -0.789 168 2HB GLN 24 2HB GLN 24 -7.882 3.439 -2.089 169 1HG GLN 24 1HG GLN 24 -9.900 4.674 -1.577 170 2HG GLN 24 2HG GLN 24 -9.217 5.272 -0.057 171 1HE2 GLN 24 2HE2 GLN 24 -9.925 7.387 -0.871 172 2HE2 GLN 24 1HE2 GLN 24 -8.949 8.264 -2.007 173 H TYR 25 H TYR 25 -8.387 0.709 -1.598 174 HA TYR 25 HA TYR 25 -11.216 0.564 -2.195 175 1HB TYR 25 1HB TYR 25 -9.099 -0.449 -3.461 176 2HB TYR 25 2HB TYR 25 -9.431 -1.844 -2.449 177 HD1 TYR 25 HD1 TYR 25 -10.477 0.150 -5.322 178 HD2 TYR 25 HD2 TYR 25 -11.682 -3.048 -2.698 179 HE1 TYR 25 HE1 TYR 25 -12.308 -0.423 -6.882 180 HE2 TYR 25 HE2 TYR 25 -13.569 -3.581 -4.216 181 HH TYR 25 HH TYR 25 -14.009 -1.969 -7.373 182 H LEU 26 H LEU 26 -9.690 -0.146 0.814 183 HA LEU 26 HA LEU 26 -11.794 -2.087 1.446 184 1HB LEU 26 1HB LEU 26 -8.976 -1.499 2.310 185 2HB LEU 26 2HB LEU 26 -10.101 -1.661 3.606 186 HG LEU 26 HG LEU 26 -9.580 -3.714 1.452 187 1HD1 LEU 26 1HD1 LEU 26 -7.761 -3.248 3.140 188 2HD1 LEU 26 2HD1 LEU 26 -8.292 -4.914 3.065 189 3HD1 LEU 26 3HD1 LEU 26 -8.847 -3.855 4.402 190 1HD2 LEU 26 1HD2 LEU 26 -11.270 -3.983 3.999 191 2HD2 LEU 26 2HD2 LEU 26 -10.896 -5.302 2.868 192 3HD2 LEU 26 3HD2 LEU 26 -11.909 -3.977 2.346 193 H ASN 27 H ASN 27 -10.076 0.672 2.911 194 HA ASN 27 HA ASN 27 -11.915 1.590 4.674 195 1HB ASN 27 1HB ASN 27 -9.618 2.412 4.312 196 2HB ASN 27 2HB ASN 27 -10.117 3.226 2.833 197 1HD2 ASN 27 2HD2 ASN 27 -9.864 5.350 3.370 198 2HD2 ASN 27 1HD2 ASN 27 -10.344 6.060 4.863 199 H VAL 28 H VAL 28 -12.018 2.510 1.182 200 HA VAL 28 HA VAL 28 -14.337 4.221 1.669 201 HB VAL 28 HB VAL 28 -13.021 3.296 -0.904 202 1HG1 VAL 28 1HG1 VAL 28 -15.129 5.436 -0.464 203 2HG1 VAL 28 2HG1 VAL 28 -14.209 5.214 -1.961 204 3HG1 VAL 28 3HG1 VAL 28 -15.320 3.949 -1.419 205 1HG2 VAL 28 1HG2 VAL 28 -12.847 5.899 0.674 206 2HG2 VAL 28 2HG2 VAL 28 -11.543 4.711 0.499 207 3HG2 VAL 28 3HG2 VAL 28 -12.103 5.620 -0.915 208 H VAL 29 H VAL 29 -13.851 0.965 0.160 209 HA VAL 29 HA VAL 29 -16.566 0.668 -0.542 210 HB VAL 29 HB VAL 29 -14.145 -0.552 -1.002 211 1HG1 VAL 29 1HG1 VAL 29 -14.329 -2.156 0.835 212 2HG1 VAL 29 2HG1 VAL 29 -15.918 -2.713 0.222 213 3HG1 VAL 29 3HG1 VAL 29 -14.442 -2.966 -0.731 214 1HG2 VAL 29 1HG2 VAL 29 -15.974 -0.214 -2.618 215 2HG2 VAL 29 2HG2 VAL 29 -15.306 -1.846 -2.705 216 3HG2 VAL 29 3HG2 VAL 29 -16.857 -1.580 -1.894 217 H THR 30 H THR 30 -14.810 -0.349 2.344 218 HA THR 30 HA THR 30 -16.918 -1.748 3.544 219 HB THR 30 HB THR 30 -15.667 -1.287 5.591 220 HG1 THR 30 HG1 THR 30 -13.755 -0.058 3.953 221 1HG2 THR 30 1HG2 THR 30 -14.031 -2.322 3.250 222 2HG2 THR 30 2HG2 THR 30 -15.110 -3.240 4.275 223 3HG2 THR 30 3HG2 THR 30 -13.620 -2.557 4.955 224 H ARG 31 H ARG 31 -16.243 1.736 3.514 225 HA ARG 31 HA ARG 31 -18.265 2.367 5.399 226 1HB ARG 31 1HB ARG 31 -16.457 3.905 4.737 227 2HB ARG 31 2HB ARG 31 -17.225 4.139 3.160 228 1HG ARG 31 1HG ARG 31 -19.192 5.176 4.234 229 2HG ARG 31 2HG ARG 31 -18.530 4.839 5.846 230 1HD ARG 31 1HD ARG 31 -17.298 6.677 3.738 231 2HD ARG 31 2HD ARG 31 -18.226 7.208 5.140 232 HE ARG 31 HE ARG 31 -15.511 6.022 5.110 233 1HH1 ARG 31 1HH1 ARG 31 -18.121 7.255 7.256 234 2HH1 ARG 31 2HH1 ARG 31 -16.992 7.490 8.554 235 1HH2 ARG 31 1HH2 ARG 31 -14.232 6.167 6.857 236 2HH2 ARG 31 2HH2 ARG 31 -14.790 6.824 8.370 237 H HIS 32 H HIS 32 -18.638 1.353 2.251 238 HA HIS 32 HA HIS 32 -21.443 2.224 1.999 239 1HB HIS 32 1HB HIS 32 -19.412 0.936 0.179 240 2HB HIS 32 2HB HIS 32 -21.100 0.688 -0.138 241 HD1 HIS 32 HD1 HIS 32 -22.564 2.850 -0.827 242 HD2 HIS 32 HD2 HIS 32 -18.455 3.432 -0.075 243 HE1 HIS 32 HE1 HIS 32 -21.951 5.020 -2.006 244 H ARG 33 H ARG 33 -20.105 0.002 3.886 245 HA ARG 33 HA ARG 33 -20.873 -1.784 5.012 246 1HB ARG 33 1HB ARG 33 -23.062 -0.713 5.069 247 2HB ARG 33 2HB ARG 33 -23.492 -1.417 3.516 248 1HG ARG 33 1HG ARG 33 -23.253 -3.692 4.417 249 2HG ARG 33 2HG ARG 33 -22.899 -3.012 6.023 250 1HD ARG 33 1HD ARG 33 -25.428 -2.508 4.374 251 2HD ARG 33 2HD ARG 33 -25.271 -3.671 5.706 252 HE ARG 33 HE ARG 33 -24.413 -1.218 6.735 253 1HH1 ARG 33 1HH1 ARG 33 -27.482 -2.386 5.414 254 2HH1 ARG 33 2HH1 ARG 33 -28.449 -1.346 6.423 255 1HH2 ARG 33 1HH2 ARG 33 -25.553 0.169 7.870 256 2HH2 ARG 33 2HH2 ARG 33 -27.309 0.223 7.873 257 H TYR 34 H TYR 34 -19.150 -2.731 3.955 258 HA TYR 34 HA TYR 34 -18.042 -4.172 2.646 259 1HB TYR 34 1HB TYR 34 -19.614 -5.630 3.918 260 2HB TYR 34 2HB TYR 34 -20.731 -5.591 2.569 261 HD1 TYR 34 HD1 TYR 34 -20.810 -7.992 2.336 262 HD2 TYR 34 HD2 TYR 34 -17.024 -5.921 2.025 263 HE1 TYR 34 HE1 TYR 34 -19.741 -10.030 1.409 264 HE2 TYR 34 HE2 TYR 34 -15.984 -7.958 1.141 265 HH TYR 34 HH TYR 34 -17.728 -11.012 0.512 266 1HN NH2 35 1H NH2 35 -18.829 -1.873 1.137 267 2HN NH2 35 2H NH2 35 -19.300 -2.362 -0.453 268 3HM EAB 10 3HM AZT 10 14.695 5.507 7.248 269 2HM EAB 10 2HM AZT 10 14.085 6.399 8.606 270 HL EAB 10 HL AZT 10 12.202 3.479 7.062 271 HK2 EAB 10 HK2 AZT 10 11.929 1.351 8.294 272 HJ2 EAB 10 HJ2 AZT 10 13.183 0.933 10.393 273 HG1 EAB 10 HG1 AZT 10 15.023 -0.335 13.554 274 HG2 EAB 10 HG2 AZT 10 17.541 1.168 16.721 275 HD2 EAB 10 HD2 AZT 10 17.904 3.257 15.440 276 HE EAB 10 HE AZT 10 16.747 3.607 13.279 277 2HA EAB 10 2HA AZT 10 16.586 -1.019 16.888 278 3HA EAB 10 3HA AZT 10 16.054 -1.848 15.382 279 1HN EAB 10 H AZT 10 14.399 0.057 16.974 280 HJ1 EAB 10 HJ1 AZT 10 14.745 4.948 10.221 Start of MODEL 12 1 1H GLY 1 H GLY 1 5.377 10.201 -10.378 2 1HA GLY 1 1HA GLY 1 3.933 11.974 -8.482 3 2HA GLY 1 2HA GLY 1 4.037 10.214 -8.331 4 HA PRO 2 HA PRO 2 7.572 11.567 -5.831 5 1HB PRO 2 1HB PRO 2 7.554 9.560 -4.015 6 2HB PRO 2 2HB PRO 2 6.249 10.769 -4.099 7 1HG PRO 2 1HG PRO 2 6.272 7.999 -5.347 8 2HG PRO 2 2HG PRO 2 5.033 8.699 -4.253 9 1HD PRO 2 1HD PRO 2 4.824 8.777 -6.992 10 2HD PRO 2 2HD PRO 2 4.182 10.078 -5.950 11 H SER 3 H SER 3 9.480 10.150 -4.820 12 HA SER 3 HA SER 3 11.032 9.145 -7.052 13 1HB SER 3 1HB SER 3 11.488 9.551 -4.064 14 2HB SER 3 2HB SER 3 12.718 8.874 -5.124 15 HG SER 3 HG SER 3 12.858 11.134 -4.816 16 H GLN 4 H GLN 4 12.497 7.056 -6.164 17 HA GLN 4 HA GLN 4 10.690 4.969 -5.137 18 1HB GLN 4 1HB GLN 4 10.540 5.028 -7.629 19 2HB GLN 4 2HB GLN 4 12.272 4.742 -7.729 20 1HG GLN 4 1HG GLN 4 10.941 2.699 -8.102 21 2HG GLN 4 2HG GLN 4 11.997 2.531 -6.702 22 1HE2 GLN 4 2HE2 GLN 4 10.880 1.164 -5.335 23 2HE2 GLN 4 1HE2 GLN 4 9.289 1.456 -4.731 24 HA PRO 5 HA PRO 5 15.021 5.147 -3.386 25 1HB PRO 5 1HB PRO 5 14.416 5.288 -0.725 26 2HB PRO 5 2HB PRO 5 14.508 6.728 -1.793 27 1HG PRO 5 1HG PRO 5 12.031 5.185 -0.955 28 2HG PRO 5 2HG PRO 5 12.287 6.960 -0.941 29 1HD PRO 5 1HD PRO 5 11.000 5.692 -2.984 30 2HD PRO 5 2HD PRO 5 12.053 7.104 -3.268 31 H THR 6 H THR 6 16.106 3.281 -2.613 32 HA THR 6 HA THR 6 14.472 1.042 -1.558 33 HB THR 6 HB THR 6 16.426 0.659 -3.823 34 HG1 THR 6 HG1 THR 6 14.836 1.808 -4.788 35 1HG2 THR 6 1HG2 THR 6 14.146 -1.054 -2.779 36 2HG2 THR 6 2HG2 THR 6 15.875 -1.349 -2.504 37 3HG2 THR 6 3HG2 THR 6 15.214 -1.463 -4.141 38 H TYR 7 H TYR 7 15.446 0.719 0.315 39 HA TYR 7 HA TYR 7 18.433 0.634 0.488 40 1HB TYR 7 1HB TYR 7 16.451 1.694 2.508 41 2HB TYR 7 2HB TYR 7 18.141 1.369 2.849 42 HD1 TYR 7 HD1 TYR 7 19.933 2.465 1.351 43 HD2 TYR 7 HD2 TYR 7 15.848 3.860 1.554 44 HE1 TYR 7 HE1 TYR 7 20.626 4.647 0.426 45 HE2 TYR 7 HE2 TYR 7 16.547 6.049 0.666 46 HH TYR 7 HH TYR 7 18.339 7.273 -0.327 47 HA PRO 8 HA PRO 8 16.803 -3.517 1.696 48 1HB PRO 8 1HB PRO 8 18.425 -5.080 0.190 49 2HB PRO 8 2HB PRO 8 17.060 -4.194 -0.560 50 1HG PRO 8 1HG PRO 8 19.969 -3.335 -0.386 51 2HG PRO 8 2HG PRO 8 18.950 -3.450 -1.848 52 1HD PRO 8 1HD PRO 8 19.273 -1.106 -0.491 53 2HD PRO 8 2HD PRO 8 17.705 -1.535 -1.243 54 H GLY 9 H GLY 9 18.222 -5.428 2.573 55 1HA GLY 9 1HA GLY 9 19.915 -6.234 3.918 56 2HA GLY 9 2HA GLY 9 20.913 -4.842 3.435 57 HA PRO 11 HA PRO 11 12.428 5.328 4.097 58 1HB PRO 11 1HB PRO 11 11.149 4.149 1.951 59 2HB PRO 11 2HB PRO 11 12.860 4.670 1.921 60 1HG PRO 11 1HG PRO 11 11.785 1.884 2.437 61 2HG PRO 11 2HG PRO 11 13.115 2.381 1.341 62 1HD PRO 11 1HD PRO 11 13.611 1.429 3.834 63 2HD PRO 11 2HD PRO 11 14.581 2.764 3.160 64 H VAL 12 H VAL 12 10.786 5.809 5.573 65 HA VAL 12 HA VAL 12 8.709 3.778 6.088 66 HB VAL 12 HB VAL 12 8.241 5.963 7.739 67 1HG1 VAL 12 1HG1 VAL 12 8.140 3.537 8.276 68 2HG1 VAL 12 2HG1 VAL 12 9.901 3.526 8.400 69 3HG1 VAL 12 3HG1 VAL 12 8.935 4.501 9.531 70 1HG2 VAL 12 1HG2 VAL 12 11.248 5.517 7.847 71 2HG2 VAL 12 2HG2 VAL 12 10.433 7.007 7.308 72 3HG2 VAL 12 3HG2 VAL 12 10.251 6.452 8.969 73 H GLU 13 H GLU 13 8.965 7.304 5.445 74 HA GLU 13 HA GLU 13 6.268 7.824 4.990 75 1HB GLU 13 1HB GLU 13 8.737 9.028 3.686 76 2HB GLU 13 2HB GLU 13 7.132 9.749 3.599 77 1HG GLU 13 1HG GLU 13 7.162 10.474 5.793 78 2HG GLU 13 2HG GLU 13 8.169 9.150 6.360 79 H ASP 14 H ASP 14 8.745 6.987 2.566 80 HA ASP 14 HA ASP 14 6.910 6.804 0.407 81 1HB ASP 14 1HB ASP 14 9.782 5.939 0.808 82 2HB ASP 14 2HB ASP 14 8.904 5.525 -0.671 83 H LEU 15 H LEU 15 7.443 4.467 2.962 84 HA LEU 15 HA LEU 15 6.460 2.274 1.237 85 1HB LEU 15 1HB LEU 15 8.281 1.720 2.816 86 2HB LEU 15 2HB LEU 15 7.270 2.226 4.167 87 HG LEU 15 HG LEU 15 5.673 0.446 3.756 88 1HD1 LEU 15 1HD1 LEU 15 7.347 -0.275 1.320 89 2HD1 LEU 15 2HD1 LEU 15 5.644 0.221 1.316 90 3HD1 LEU 15 3HD1 LEU 15 6.088 -1.324 2.014 91 1HD2 LEU 15 1HD2 LEU 15 7.045 -1.550 4.145 92 2HD2 LEU 15 2HD2 LEU 15 7.643 -0.185 5.073 93 3HD2 LEU 15 3HD2 LEU 15 8.490 -0.671 3.592 94 H ILE 16 H ILE 16 5.445 4.232 4.110 95 HA ILE 16 HA ILE 16 2.983 2.823 4.368 96 HB ILE 16 HB ILE 16 2.217 4.612 5.812 97 1HG1 ILE 16 1HG1 ILE 16 4.713 6.140 5.000 98 2HG1 ILE 16 2HG1 ILE 16 3.057 6.568 4.578 99 1HG2 ILE 16 1HG2 ILE 16 5.150 3.925 6.330 100 2HG2 ILE 16 2HG2 ILE 16 3.929 4.336 7.535 101 3HG2 ILE 16 3HG2 ILE 16 3.782 2.844 6.607 102 1HD1 ILE 16 1HD1 ILE 16 4.261 6.595 7.367 103 2HD1 ILE 16 2HD1 ILE 16 3.802 7.983 6.370 104 3HD1 ILE 16 3HD1 ILE 16 2.546 6.897 6.985 105 H ARG 17 H ARG 17 3.938 5.579 2.405 106 HA ARG 17 HA ARG 17 1.313 6.106 1.379 107 1HB ARG 17 1HB ARG 17 4.101 6.814 0.381 108 2HB ARG 17 2HB ARG 17 2.624 7.433 -0.357 109 1HG ARG 17 1HG ARG 17 1.955 8.560 1.673 110 2HG ARG 17 2HG ARG 17 3.205 7.771 2.623 111 1HD ARG 17 1HD ARG 17 3.916 10.021 2.245 112 2HD ARG 17 2HD ARG 17 4.980 8.926 1.362 113 HE ARG 17 HE ARG 17 4.448 9.979 -0.536 114 1HH1 ARG 17 1HH1 ARG 17 1.770 10.594 1.710 115 2HH1 ARG 17 2HH1 ARG 17 0.995 11.776 0.729 116 1HH2 ARG 17 1HH2 ARG 17 3.493 11.565 -1.820 117 2HH2 ARG 17 2HH2 ARG 17 1.967 12.292 -1.436 118 H PHE 18 H PHE 18 3.399 3.521 0.784 119 HA PHE 18 HA PHE 18 2.212 2.909 -1.858 120 1HB PHE 18 1HB PHE 18 4.754 2.147 -0.434 121 2HB PHE 18 2HB PHE 18 4.005 0.873 -1.368 122 HD1 PHE 18 HD1 PHE 18 4.665 4.573 -1.877 123 HD2 PHE 18 HD2 PHE 18 4.894 0.574 -3.492 124 HE1 PHE 18 HE1 PHE 18 5.645 5.459 -3.967 125 HE2 PHE 18 HE2 PHE 18 5.889 1.470 -5.567 126 HZ PHE 18 HZ PHE 18 6.278 3.920 -5.806 127 H TYR 19 H TYR 19 1.242 2.542 1.167 128 HA TYR 19 HA TYR 19 -0.093 -0.076 0.580 129 1HB TYR 19 1HB TYR 19 1.568 0.020 2.503 130 2HB TYR 19 2HB TYR 19 0.462 1.119 3.322 131 HD1 TYR 19 HD1 TYR 19 -1.763 0.304 4.121 132 HD2 TYR 19 HD2 TYR 19 0.998 -2.327 2.079 133 HE1 TYR 19 HE1 TYR 19 -3.146 -1.647 4.760 134 HE2 TYR 19 HE2 TYR 19 -0.361 -4.265 2.746 135 HH TYR 19 HH TYR 19 -3.520 -3.887 4.341 136 H ASN 20 H ASN 20 -0.323 3.104 2.114 137 HA ASN 20 HA ASN 20 -3.076 3.101 2.631 138 1HB ASN 20 1HB ASN 20 -1.003 5.289 2.429 139 2HB ASN 20 2HB ASN 20 -2.704 5.685 2.593 140 1HD2 ASN 20 2HD2 ASN 20 -0.083 3.781 4.232 141 2HD2 ASN 20 1HD2 ASN 20 -1.063 3.437 5.619 142 H ASP 21 H ASP 21 -1.618 3.568 -0.648 143 HA ASP 21 HA ASP 21 -4.086 4.965 -1.464 144 1HB ASP 21 1HB ASP 21 -1.676 5.221 -2.513 145 2HB ASP 21 2HB ASP 21 -2.164 3.818 -3.463 146 H LEU 22 H LEU 22 -2.911 1.695 -1.223 147 HA LEU 22 HA LEU 22 -4.998 0.562 -2.991 148 1HB LEU 22 1HB LEU 22 -2.891 -0.708 -1.176 149 2HB LEU 22 2HB LEU 22 -4.173 -1.635 -1.919 150 HG LEU 22 HG LEU 22 -2.194 -1.938 -3.166 151 1HD1 LEU 22 1HD1 LEU 22 -4.335 -1.831 -4.448 152 2HD1 LEU 22 2HD1 LEU 22 -2.910 -1.424 -5.411 153 3HD1 LEU 22 3HD1 LEU 22 -3.985 -0.133 -4.848 154 1HD2 LEU 22 1HD2 LEU 22 -2.101 1.024 -3.785 155 2HD2 LEU 22 2HD2 LEU 22 -0.925 -0.235 -4.225 156 3HD2 LEU 22 3HD2 LEU 22 -1.118 0.266 -2.530 157 H GLN 23 H GLN 23 -4.173 0.654 0.492 158 HA GLN 23 HA GLN 23 -6.392 -0.771 1.497 159 1HB GLN 23 1HB GLN 23 -4.435 -0.370 2.844 160 2HB GLN 23 2HB GLN 23 -4.541 1.362 2.595 161 1HG GLN 23 1HG GLN 23 -6.650 1.384 4.023 162 2HG GLN 23 2HG GLN 23 -6.313 -0.311 4.394 163 1HE2 GLN 23 2HE2 GLN 23 -4.990 2.997 4.500 164 2HE2 GLN 23 1HE2 GLN 23 -3.810 2.731 5.780 165 H GLN 24 H GLN 24 -6.299 2.398 0.051 166 HA GLN 24 HA GLN 24 -8.479 3.667 1.325 167 1HB GLN 24 1HB GLN 24 -6.828 4.668 -0.285 168 2HB GLN 24 2HB GLN 24 -7.619 3.780 -1.591 169 1HG GLN 24 1HG GLN 24 -9.734 5.049 -1.124 170 2HG GLN 24 2HG GLN 24 -8.890 5.930 0.165 171 1HE2 GLN 24 2HE2 GLN 24 -8.710 5.161 -3.331 172 2HE2 GLN 24 1HE2 GLN 24 -7.663 6.522 -3.763 173 H TYR 25 H TYR 25 -8.350 1.346 -1.440 174 HA TYR 25 HA TYR 25 -11.228 1.185 -1.783 175 1HB TYR 25 1HB TYR 25 -9.441 0.711 -3.529 176 2HB TYR 25 2HB TYR 25 -9.063 -0.755 -2.639 177 HD1 TYR 25 HD1 TYR 25 -11.785 0.995 -4.540 178 HD2 TYR 25 HD2 TYR 25 -10.274 -2.757 -3.058 179 HE1 TYR 25 HE1 TYR 25 -13.546 -0.201 -5.796 180 HE2 TYR 25 HE2 TYR 25 -12.040 -3.962 -4.313 181 HH TYR 25 HH TYR 25 -14.147 -2.375 -6.645 182 H LEU 26 H LEU 26 -9.383 0.101 0.891 183 HA LEU 26 HA LEU 26 -11.244 -2.121 1.350 184 1HB LEU 26 1HB LEU 26 -8.350 -1.539 1.814 185 2HB LEU 26 2HB LEU 26 -9.163 -2.038 3.260 186 HG LEU 26 HG LEU 26 -9.269 -3.447 0.594 187 1HD1 LEU 26 1HD1 LEU 26 -7.657 -5.085 1.527 188 2HD1 LEU 26 2HD1 LEU 26 -7.500 -4.049 2.971 189 3HD1 LEU 26 3HD1 LEU 26 -7.010 -3.451 1.363 190 1HD2 LEU 26 1HD2 LEU 26 -10.081 -4.420 3.388 191 2HD2 LEU 26 2HD2 LEU 26 -9.990 -5.468 1.956 192 3HD2 LEU 26 3HD2 LEU 26 -11.177 -4.165 2.011 193 H ASN 27 H ASN 27 -10.490 1.072 2.038 194 HA ASN 27 HA ASN 27 -11.870 1.124 4.670 195 1HB ASN 27 1HB ASN 27 -9.622 2.251 4.346 196 2HB ASN 27 2HB ASN 27 -10.384 3.344 3.181 197 1HD2 ASN 27 2HD2 ASN 27 -10.537 5.374 4.272 198 2HD2 ASN 27 1HD2 ASN 27 -10.893 5.485 5.968 199 H VAL 28 H VAL 28 -12.150 2.363 1.348 200 HA VAL 28 HA VAL 28 -14.595 3.845 1.989 201 HB VAL 28 HB VAL 28 -12.970 3.436 -0.549 202 1HG1 VAL 28 1HG1 VAL 28 -15.467 5.126 -0.111 203 2HG1 VAL 28 2HG1 VAL 28 -14.328 5.324 -1.481 204 3HG1 VAL 28 3HG1 VAL 28 -15.227 3.830 -1.291 205 1HG2 VAL 28 1HG2 VAL 28 -11.839 4.835 1.128 206 2HG2 VAL 28 2HG2 VAL 28 -12.390 5.841 -0.200 207 3HG2 VAL 28 3HG2 VAL 28 -13.290 5.820 1.344 208 H VAL 29 H VAL 29 -13.714 0.735 0.335 209 HA VAL 29 HA VAL 29 -16.275 0.371 -0.772 210 HB VAL 29 HB VAL 29 -13.894 -0.701 -1.005 211 1HG1 VAL 29 1HG1 VAL 29 -15.297 -2.923 0.526 212 2HG1 VAL 29 2HG1 VAL 29 -13.826 -3.090 -0.430 213 3HG1 VAL 29 3HG1 VAL 29 -13.797 -2.057 0.984 214 1HG2 VAL 29 1HG2 VAL 29 -15.645 -0.865 -2.684 215 2HG2 VAL 29 2HG2 VAL 29 -14.810 -2.406 -2.511 216 3HG2 VAL 29 3HG2 VAL 29 -16.420 -2.194 -1.783 217 H THR 30 H THR 30 -14.874 -0.705 2.274 218 HA THR 30 HA THR 30 -17.139 -2.062 3.282 219 HB THR 30 HB THR 30 -15.889 -1.788 5.422 220 HG1 THR 30 HG1 THR 30 -13.765 -0.911 5.154 221 1HG2 THR 30 1HG2 THR 30 -14.039 -3.200 4.818 222 2HG2 THR 30 2HG2 THR 30 -14.065 -2.654 3.142 223 3HG2 THR 30 3HG2 THR 30 -15.391 -3.643 3.784 224 H ARG 31 H ARG 31 -16.136 1.331 3.338 225 HA ARG 31 HA ARG 31 -18.069 2.184 5.208 226 1HB ARG 31 1HB ARG 31 -16.054 3.509 4.514 227 2HB ARG 31 2HB ARG 31 -16.816 3.832 2.961 228 1HG ARG 31 1HG ARG 31 -16.948 5.751 4.451 229 2HG ARG 31 2HG ARG 31 -18.551 5.157 4.061 230 1HD ARG 31 1HD ARG 31 -18.403 3.843 6.329 231 2HD ARG 31 2HD ARG 31 -16.999 4.845 6.653 232 HE ARG 31 HE ARG 31 -18.372 6.771 6.709 233 1HH1 ARG 31 1HH1 ARG 31 -20.384 3.790 6.256 234 2HH1 ARG 31 2HH1 ARG 31 -21.848 4.668 6.417 235 1HH2 ARG 31 1HH2 ARG 31 -20.304 7.764 7.151 236 2HH2 ARG 31 2HH2 ARG 31 -21.783 6.855 7.382 237 H HIS 32 H HIS 32 -18.606 0.894 2.218 238 HA HIS 32 HA HIS 32 -21.245 2.211 1.847 239 1HB HIS 32 1HB HIS 32 -19.162 1.371 -0.049 240 2HB HIS 32 2HB HIS 32 -20.718 0.627 -0.409 241 HD1 HIS 32 HD1 HIS 32 -22.612 2.169 -1.405 242 HD2 HIS 32 HD2 HIS 32 -19.218 4.166 0.148 243 HE1 HIS 32 HE1 HIS 32 -22.848 4.589 -2.069 244 H ARG 33 H ARG 33 -20.376 0.167 3.863 245 HA ARG 33 HA ARG 33 -21.275 -1.485 5.003 246 1HB ARG 33 1HB ARG 33 -23.585 -1.627 3.049 247 2HB ARG 33 2HB ARG 33 -23.522 -2.241 4.695 248 1HG ARG 33 1HG ARG 33 -23.355 0.096 5.559 249 2HG ARG 33 2HG ARG 33 -23.403 0.706 3.893 250 1HD ARG 33 1HD ARG 33 -25.597 -0.591 3.608 251 2HD ARG 33 2HD ARG 33 -25.536 -0.839 5.365 252 HE ARG 33 HE ARG 33 -25.402 1.907 4.229 253 1HH1 ARG 33 1HH1 ARG 33 -27.337 -0.545 5.892 254 2HH1 ARG 33 2HH1 ARG 33 -28.428 0.571 6.632 255 1HH2 ARG 33 1HH2 ARG 33 -27.102 3.360 4.853 256 2HH2 ARG 33 2HH2 ARG 33 -28.340 2.852 5.927 257 H TYR 34 H TYR 34 -19.237 -2.431 4.026 258 HA TYR 34 HA TYR 34 -19.928 -5.049 2.946 259 1HB TYR 34 1HB TYR 34 -19.285 -3.388 0.998 260 2HB TYR 34 2HB TYR 34 -17.649 -3.563 1.602 261 HD1 TYR 34 HD1 TYR 34 -16.352 -5.268 0.503 262 HD2 TYR 34 HD2 TYR 34 -20.636 -5.727 0.806 263 HE1 TYR 34 HE1 TYR 34 -16.225 -7.343 -0.832 264 HE2 TYR 34 HE2 TYR 34 -20.513 -7.805 -0.519 265 HH TYR 34 HH TYR 34 -17.626 -8.868 -2.210 266 1HN NH2 35 1H NH2 35 -17.611 -6.328 2.897 267 2HN NH2 35 2H NH2 35 -16.650 -6.046 4.311 268 3HM EAB 10 3HM AZT 10 15.289 2.206 5.403 269 2HM EAB 10 2HM AZT 10 15.201 2.921 7.002 270 HL EAB 10 HL AZT 10 12.001 1.446 6.648 271 HK2 EAB 10 HK2 AZT 10 11.373 -0.713 7.647 272 HJ2 EAB 10 HJ2 AZT 10 13.109 -2.323 8.359 273 HG1 EAB 10 HG1 AZT 10 18.258 -2.673 7.697 274 HG2 EAB 10 HG2 AZT 10 19.561 -6.662 8.662 275 HD2 EAB 10 HD2 AZT 10 17.269 -7.212 9.455 276 HE EAB 10 HE AZT 10 15.453 -5.526 9.287 277 2HA EAB 10 2HA AZT 10 21.179 -4.758 8.138 278 3HA EAB 10 3HA AZT 10 20.544 -3.230 7.498 279 1HN EAB 10 H AZT 10 21.163 -5.571 5.976 280 HJ1 EAB 10 HJ1 AZT 10 16.167 0.392 7.036 Start of MODEL 13 1 1H GLY 1 H GLY 1 36.974 7.296 -17.581 2 1HA GLY 1 1HA GLY 1 38.056 9.551 -15.962 3 2HA GLY 1 2HA GLY 1 36.525 9.602 -16.881 4 HA PRO 2 HA PRO 2 35.368 8.029 -12.714 5 1HB PRO 2 1HB PRO 2 32.838 9.042 -12.569 6 2HB PRO 2 2HB PRO 2 34.276 10.078 -12.322 7 1HG PRO 2 1HG PRO 2 32.658 9.712 -14.867 8 2HG PRO 2 2HG PRO 2 33.161 11.248 -14.090 9 1HD PRO 2 1HD PRO 2 34.564 10.110 -16.151 10 2HD PRO 2 2HD PRO 2 35.385 11.002 -14.833 11 H SER 3 H SER 3 33.207 6.657 -12.170 12 HA SER 3 HA SER 3 32.005 5.299 -14.417 13 1HB SER 3 1HB SER 3 33.839 3.799 -12.488 14 2HB SER 3 2HB SER 3 32.761 3.056 -13.689 15 HG SER 3 HG SER 3 34.270 4.960 -14.852 16 H GLN 4 H GLN 4 30.168 4.092 -13.634 17 HA GLN 4 HA GLN 4 29.295 4.850 -10.884 18 1HB GLN 4 1HB GLN 4 28.252 6.034 -12.813 19 2HB GLN 4 2HB GLN 4 27.652 4.484 -13.402 20 1HG GLN 4 1HG GLN 4 26.313 4.244 -11.310 21 2HG GLN 4 2HG GLN 4 26.964 5.782 -10.726 22 1HE2 GLN 4 2HE2 GLN 4 24.804 6.835 -10.674 23 2HE2 GLN 4 1HE2 GLN 4 24.074 7.283 -12.202 24 HA PRO 5 HA PRO 5 29.478 0.215 -11.115 25 1HB PRO 5 1HB PRO 5 30.295 -0.313 -8.590 26 2HB PRO 5 2HB PRO 5 31.437 0.301 -9.820 27 1HG PRO 5 1HG PRO 5 29.958 1.889 -7.693 28 2HG PRO 5 2HG PRO 5 31.708 1.929 -8.082 29 1HD PRO 5 1HD PRO 5 29.900 3.732 -9.099 30 2HD PRO 5 2HD PRO 5 31.341 3.205 -10.019 31 H THR 6 H THR 6 28.258 -1.395 -9.482 32 HA THR 6 HA THR 6 26.137 -0.159 -7.970 33 HB THR 6 HB THR 6 25.607 -0.251 -10.596 34 HG1 THR 6 HG1 THR 6 23.397 -0.419 -9.967 35 1HG2 THR 6 1HG2 THR 6 24.445 -2.922 -9.775 36 2HG2 THR 6 2HG2 THR 6 25.916 -2.744 -10.757 37 3HG2 THR 6 3HG2 THR 6 24.384 -2.114 -11.356 38 H TYR 7 H TYR 7 24.722 -1.808 -6.996 39 HA TYR 7 HA TYR 7 25.731 -4.532 -6.785 40 1HB TYR 7 1HB TYR 7 25.842 -4.273 -4.237 41 2HB TYR 7 2HB TYR 7 27.188 -3.639 -5.164 42 HD1 TYR 7 HD1 TYR 7 27.663 -1.247 -5.298 43 HD2 TYR 7 HD2 TYR 7 24.220 -2.708 -3.126 44 HE1 TYR 7 HE1 TYR 7 27.409 0.966 -4.211 45 HE2 TYR 7 HE2 TYR 7 23.942 -0.493 -2.073 46 HH TYR 7 HH TYR 7 24.623 1.951 -2.499 47 HA PRO 8 HA PRO 8 21.341 -4.859 -6.346 48 1HB PRO 8 1HB PRO 8 20.990 -7.329 -5.260 49 2HB PRO 8 2HB PRO 8 21.597 -7.070 -6.918 50 1HG PRO 8 1HG PRO 8 23.229 -7.578 -4.407 51 2HG PRO 8 2HG PRO 8 23.360 -8.397 -6.001 52 1HD PRO 8 1HD PRO 8 24.979 -6.308 -5.295 53 2HD PRO 8 2HD PRO 8 24.422 -6.522 -6.974 54 H GLY 9 H GLY 9 19.574 -5.033 -4.765 55 1HA GLY 9 1HA GLY 9 20.012 -3.482 -2.473 56 2HA GLY 9 2HA GLY 9 18.559 -4.437 -2.805 57 HA PRO 11 HA PRO 11 12.783 5.489 0.737 58 1HB PRO 11 1HB PRO 11 11.182 4.504 -1.200 59 2HB PRO 11 2HB PRO 11 12.923 4.741 -1.468 60 1HG PRO 11 1HG PRO 11 11.545 2.159 -0.623 61 2HG PRO 11 2HG PRO 11 12.645 2.397 -2.018 62 1HD PRO 11 1HD PRO 11 13.574 1.485 0.334 63 2HD PRO 11 2HD PRO 11 14.530 2.651 -0.622 64 H VAL 12 H VAL 12 12.245 4.121 3.233 65 HA VAL 12 HA VAL 12 9.895 2.795 3.561 66 HB VAL 12 HB VAL 12 10.093 4.162 5.817 67 1HG1 VAL 12 1HG1 VAL 12 10.463 1.763 5.536 68 2HG1 VAL 12 2HG1 VAL 12 12.146 2.083 5.070 69 3HG1 VAL 12 3HG1 VAL 12 11.576 2.479 6.704 70 1HG2 VAL 12 1HG2 VAL 12 12.987 4.450 5.067 71 2HG2 VAL 12 2HG2 VAL 12 11.818 5.793 4.927 72 3HG2 VAL 12 3HG2 VAL 12 12.115 5.048 6.481 73 H GLU 13 H GLU 13 10.421 6.291 3.272 74 HA GLU 13 HA GLU 13 7.895 7.185 4.184 75 1HB GLU 13 1HB GLU 13 10.137 8.260 2.450 76 2HB GLU 13 2HB GLU 13 8.603 9.100 2.424 77 1HG GLU 13 1HG GLU 13 9.908 10.214 4.040 78 2HG GLU 13 2HG GLU 13 8.676 9.317 4.912 79 H ASP 14 H ASP 14 8.955 6.417 0.808 80 HA ASP 14 HA ASP 14 6.280 7.182 -0.168 81 1HB ASP 14 1HB ASP 14 8.376 7.536 -1.509 82 2HB ASP 14 2HB ASP 14 8.497 5.775 -1.678 83 H LEU 15 H LEU 15 8.135 4.242 0.618 84 HA LEU 15 HA LEU 15 6.389 2.343 -0.431 85 1HB LEU 15 1HB LEU 15 8.638 1.855 0.355 86 2HB LEU 15 2HB LEU 15 8.174 2.225 2.015 87 HG LEU 15 HG LEU 15 6.625 0.287 2.032 88 1HD1 LEU 15 1HD1 LEU 15 6.047 0.112 -0.365 89 2HD1 LEU 15 2HD1 LEU 15 6.754 -1.403 0.205 90 3HD1 LEU 15 3HD1 LEU 15 7.742 -0.275 -0.755 91 1HD2 LEU 15 1HD2 LEU 15 8.355 -1.441 2.048 92 2HD2 LEU 15 2HD2 LEU 15 8.980 0.060 2.767 93 3HD2 LEU 15 3HD2 LEU 15 9.453 -0.401 1.120 94 H ILE 16 H ILE 16 6.184 3.992 2.822 95 HA ILE 16 HA ILE 16 3.933 2.339 3.579 96 HB ILE 16 HB ILE 16 3.378 4.103 5.231 97 1HG1 ILE 16 1HG1 ILE 16 5.836 5.562 4.196 98 2HG1 ILE 16 2HG1 ILE 16 4.172 6.111 4.035 99 1HG2 ILE 16 1HG2 ILE 16 6.311 3.477 5.504 100 2HG2 ILE 16 2HG2 ILE 16 5.057 3.519 6.734 101 3HG2 ILE 16 3HG2 ILE 16 5.065 2.193 5.582 102 1HD1 ILE 16 1HD1 ILE 16 3.999 6.259 6.504 103 2HD1 ILE 16 2HD1 ILE 16 5.724 5.836 6.619 104 3HD1 ILE 16 3HD1 ILE 16 5.233 7.326 5.802 105 H ARG 17 H ARG 17 4.139 5.467 1.809 106 HA ARG 17 HA ARG 17 1.282 5.794 1.753 107 1HB ARG 17 1HB ARG 17 3.428 6.911 -0.092 108 2HB ARG 17 2HB ARG 17 1.763 7.486 -0.004 109 1HG ARG 17 1HG ARG 17 2.080 8.300 2.269 110 2HG ARG 17 2HG ARG 17 3.726 7.637 2.325 111 1HD ARG 17 1HD ARG 17 4.408 8.961 0.433 112 2HD ARG 17 2HD ARG 17 2.776 9.645 0.242 113 HE ARG 17 HE ARG 17 3.580 10.279 2.840 114 1HH1 ARG 17 1HH1 ARG 17 4.918 10.797 -0.417 115 2HH1 ARG 17 2HH1 ARG 17 5.870 12.154 0.023 116 1HH2 ARG 17 1HH2 ARG 17 4.692 12.094 3.435 117 2HH2 ARG 17 2HH2 ARG 17 5.664 13.014 2.311 118 H PHE 18 H PHE 18 3.499 4.172 -0.228 119 HA PHE 18 HA PHE 18 1.857 3.738 -2.534 120 1HB PHE 18 1HB PHE 18 4.316 3.476 -2.484 121 2HB PHE 18 2HB PHE 18 4.166 2.088 -1.411 122 HD1 PHE 18 HD1 PHE 18 2.975 3.316 -4.767 123 HD2 PHE 18 HD2 PHE 18 4.249 -0.049 -2.379 124 HE1 PHE 18 HE1 PHE 18 2.804 1.836 -6.744 125 HE2 PHE 18 HE2 PHE 18 4.109 -1.518 -4.394 126 HZ PHE 18 HZ PHE 18 3.356 -0.560 -6.561 127 H TYR 19 H TYR 19 2.394 1.880 0.472 128 HA TYR 19 HA TYR 19 0.511 -0.209 -0.278 129 1HB TYR 19 1HB TYR 19 2.521 -0.274 1.411 130 2HB TYR 19 2HB TYR 19 1.390 0.406 2.557 131 HD1 TYR 19 HD1 TYR 19 -0.440 -0.939 3.496 132 HD2 TYR 19 HD2 TYR 19 2.039 -2.541 0.342 133 HE1 TYR 19 HE1 TYR 19 -1.461 -3.157 3.819 134 HE2 TYR 19 HE2 TYR 19 0.980 -4.743 0.626 135 HH TYR 19 HH TYR 19 -1.631 -5.339 3.047 136 H ASN 20 H ASN 20 0.422 2.684 1.836 137 HA ASN 20 HA ASN 20 -2.171 2.276 2.914 138 1HB ASN 20 1HB ASN 20 -0.384 4.676 2.695 139 2HB ASN 20 2HB ASN 20 -2.080 4.882 3.071 140 1HD2 ASN 20 2HD2 ASN 20 0.871 3.349 4.221 141 2HD2 ASN 20 1HD2 ASN 20 0.283 2.979 5.838 142 H ASP 21 H ASP 21 -1.195 3.471 -0.290 143 HA ASP 21 HA ASP 21 -3.691 4.775 -0.824 144 1HB ASP 21 1HB ASP 21 -1.550 5.032 -2.174 145 2HB ASP 21 2HB ASP 21 -1.919 3.457 -2.909 146 H LEU 22 H LEU 22 -2.558 1.427 -1.158 147 HA LEU 22 HA LEU 22 -4.836 0.400 -2.535 148 1HB LEU 22 1HB LEU 22 -3.064 -1.110 -0.577 149 2HB LEU 22 2HB LEU 22 -4.034 -1.793 -1.868 150 HG LEU 22 HG LEU 22 -1.622 0.034 -2.275 151 1HD1 LEU 22 1HD1 LEU 22 -0.365 -1.885 -2.920 152 2HD1 LEU 22 2HD1 LEU 22 -1.780 -2.942 -2.818 153 3HD1 LEU 22 3HD1 LEU 22 -1.076 -2.242 -1.342 154 1HD2 LEU 22 1HD2 LEU 22 -3.162 0.238 -4.146 155 2HD2 LEU 22 2HD2 LEU 22 -3.322 -1.530 -4.272 156 3HD2 LEU 22 3HD2 LEU 22 -1.785 -0.727 -4.659 157 H GLN 23 H GLN 23 -4.244 1.213 0.816 158 HA GLN 23 HA GLN 23 -6.441 -0.282 1.933 159 1HB GLN 23 1HB GLN 23 -5.059 2.145 3.167 160 2HB GLN 23 2HB GLN 23 -6.001 0.926 3.996 161 1HG GLN 23 1HG GLN 23 -3.297 0.530 2.669 162 2HG GLN 23 2HG GLN 23 -3.645 0.520 4.392 163 1HE2 GLN 23 2HE2 GLN 23 -3.079 -1.465 1.730 164 2HE2 GLN 23 1HE2 GLN 23 -3.938 -2.900 2.234 165 H GLN 24 H GLN 24 -6.398 2.563 0.038 166 HA GLN 24 HA GLN 24 -8.537 4.101 1.190 167 1HB GLN 24 1HB GLN 24 -6.775 4.705 -0.556 168 2HB GLN 24 2HB GLN 24 -7.710 3.766 -1.728 169 1HG GLN 24 1HG GLN 24 -9.613 5.344 -1.363 170 2HG GLN 24 2HG GLN 24 -8.568 6.305 -0.303 171 1HE2 GLN 24 2HE2 GLN 24 -6.037 5.991 -1.951 172 2HE2 GLN 24 1HE2 GLN 24 -6.332 6.836 -3.418 173 H TYR 25 H TYR 25 -8.398 1.554 -1.349 174 HA TYR 25 HA TYR 25 -11.225 1.155 -1.629 175 1HB TYR 25 1HB TYR 25 -9.309 0.598 -3.229 176 2HB TYR 25 2HB TYR 25 -8.955 -0.784 -2.203 177 HD1 TYR 25 HD1 TYR 25 -11.459 0.782 -4.463 178 HD2 TYR 25 HD2 TYR 25 -10.391 -2.777 -2.265 179 HE1 TYR 25 HE1 TYR 25 -13.275 -0.450 -5.592 180 HE2 TYR 25 HE2 TYR 25 -12.201 -4.026 -3.401 181 HH TYR 25 HH TYR 25 -14.576 -2.371 -5.489 182 H LEU 26 H LEU 26 -9.349 0.404 1.210 183 HA LEU 26 HA LEU 26 -11.157 -1.845 1.753 184 1HB LEU 26 1HB LEU 26 -8.321 -1.079 2.315 185 2HB LEU 26 2HB LEU 26 -9.150 -1.502 3.771 186 HG LEU 26 HG LEU 26 -9.159 -3.172 1.259 187 1HD1 LEU 26 1HD1 LEU 26 -7.260 -3.352 3.626 188 2HD1 LEU 26 2HD1 LEU 26 -6.846 -2.960 1.948 189 3HD1 LEU 26 3HD1 LEU 26 -7.390 -4.591 2.352 190 1HD2 LEU 26 1HD2 LEU 26 -9.754 -5.060 2.825 191 2HD2 LEU 26 2HD2 LEU 26 -10.963 -3.778 2.862 192 3HD2 LEU 26 3HD2 LEU 26 -9.769 -3.905 4.168 193 H ASN 27 H ASN 27 -11.021 1.291 2.041 194 HA ASN 27 HA ASN 27 -12.387 1.514 4.711 195 1HB ASN 27 1HB ASN 27 -10.271 2.764 4.588 196 2HB ASN 27 2HB ASN 27 -10.753 3.512 3.069 197 1HD2 ASN 27 2HD2 ASN 27 -11.968 5.422 3.124 198 2HD2 ASN 27 1HD2 ASN 27 -12.385 6.142 4.664 199 H VAL 28 H VAL 28 -12.345 2.574 1.282 200 HA VAL 28 HA VAL 28 -14.929 3.888 1.501 201 HB VAL 28 HB VAL 28 -13.083 3.151 -0.811 202 1HG1 VAL 28 1HG1 VAL 28 -15.308 3.234 -1.782 203 2HG1 VAL 28 2HG1 VAL 28 -15.680 4.741 -0.909 204 3HG1 VAL 28 3HG1 VAL 28 -14.461 4.716 -2.191 205 1HG2 VAL 28 1HG2 VAL 28 -12.704 5.590 -0.878 206 2HG2 VAL 28 2HG2 VAL 28 -13.778 5.814 0.517 207 3HG2 VAL 28 3HG2 VAL 28 -12.238 4.931 0.691 208 H VAL 29 H VAL 29 -13.764 0.647 0.243 209 HA VAL 29 HA VAL 29 -16.282 0.013 -0.850 210 HB VAL 29 HB VAL 29 -13.761 -0.927 -0.926 211 1HG1 VAL 29 1HG1 VAL 29 -15.231 -3.164 0.474 212 2HG1 VAL 29 2HG1 VAL 29 -13.661 -3.285 -0.342 213 3HG1 VAL 29 3HG1 VAL 29 -13.818 -2.267 1.088 214 1HG2 VAL 29 1HG2 VAL 29 -14.674 -2.721 -2.433 215 2HG2 VAL 29 2HG2 VAL 29 -16.299 -2.252 -1.912 216 3HG2 VAL 29 3HG2 VAL 29 -15.269 -1.084 -2.761 217 H THR 30 H THR 30 -14.907 -0.856 2.287 218 HA THR 30 HA THR 30 -17.081 -2.227 3.299 219 HB THR 30 HB THR 30 -16.107 -1.458 5.496 220 HG1 THR 30 HG1 THR 30 -14.318 -0.254 5.502 221 1HG2 THR 30 1HG2 THR 30 -14.130 -2.662 3.519 222 2HG2 THR 30 2HG2 THR 30 -15.347 -3.555 4.449 223 3HG2 THR 30 3HG2 THR 30 -14.012 -2.745 5.285 224 H ARG 31 H ARG 31 -16.559 1.265 3.104 225 HA ARG 31 HA ARG 31 -18.626 2.048 4.813 226 1HB ARG 31 1HB ARG 31 -16.705 3.383 3.463 227 2HB ARG 31 2HB ARG 31 -18.055 3.769 2.397 228 1HG ARG 31 1HG ARG 31 -19.277 4.770 4.292 229 2HG ARG 31 2HG ARG 31 -18.028 4.192 5.420 230 1HD ARG 31 1HD ARG 31 -16.341 5.552 4.080 231 2HD ARG 31 2HD ARG 31 -17.705 6.298 3.244 232 HE ARG 31 HE ARG 31 -16.770 6.696 5.981 233 1HH1 ARG 31 1HH1 ARG 31 -19.552 7.271 3.807 234 2HH1 ARG 31 2HH1 ARG 31 -20.246 8.463 4.873 235 1HH2 ARG 31 1HH2 ARG 31 -17.563 8.363 7.186 236 2HH2 ARG 31 2HH2 ARG 31 -18.930 9.302 6.652 237 H HIS 32 H HIS 32 -18.993 0.575 1.853 238 HA HIS 32 HA HIS 32 -21.781 1.545 1.454 239 1HB HIS 32 1HB HIS 32 -19.687 0.314 -0.316 240 2HB HIS 32 2HB HIS 32 -21.343 -0.095 -0.642 241 HD1 HIS 32 HD1 HIS 32 -21.268 1.348 -2.980 242 HD2 HIS 32 HD2 HIS 32 -20.679 3.478 0.639 243 HE1 HIS 32 HE1 HIS 32 -21.376 3.784 -3.558 244 H ARG 33 H ARG 33 -21.198 0.234 3.783 245 HA ARG 33 HA ARG 33 -21.688 -1.520 5.123 246 1HB ARG 33 1HB ARG 33 -24.094 -1.396 3.261 247 2HB ARG 33 2HB ARG 33 -24.058 -2.427 4.694 248 1HG ARG 33 1HG ARG 33 -23.537 -0.504 6.126 249 2HG ARG 33 2HG ARG 33 -23.533 0.571 4.735 250 1HD ARG 33 1HD ARG 33 -25.907 0.203 4.357 251 2HD ARG 33 2HD ARG 33 -25.965 -1.027 5.630 252 HE ARG 33 HE ARG 33 -25.621 1.905 5.945 253 1HH1 ARG 33 1HH1 ARG 33 -25.504 -1.239 7.600 254 2HH1 ARG 33 2HH1 ARG 33 -25.673 -0.593 9.171 255 1HH2 ARG 33 1HH2 ARG 33 -25.652 2.803 8.046 256 2HH2 ARG 33 2HH2 ARG 33 -25.529 1.773 9.415 257 H TYR 34 H TYR 34 -19.707 -2.253 3.679 258 HA TYR 34 HA TYR 34 -18.486 -3.975 2.920 259 1HB TYR 34 1HB TYR 34 -19.173 -5.020 4.961 260 2HB TYR 34 2HB TYR 34 -20.682 -5.573 4.268 261 HD1 TYR 34 HD1 TYR 34 -20.867 -7.729 3.403 262 HD2 TYR 34 HD2 TYR 34 -16.958 -5.941 3.775 263 HE1 TYR 34 HE1 TYR 34 -19.857 -9.825 2.674 264 HE2 TYR 34 HE2 TYR 34 -15.928 -8.027 2.972 265 HH TYR 34 HH TYR 34 -16.315 -10.331 2.559 266 1HN NH2 35 1H NH2 35 -21.221 -3.065 1.208 267 2HN NH2 35 2H NH2 35 -21.023 -4.232 -0.069 268 3HM EAB 10 3HM AZT 10 16.031 2.553 1.475 269 2HM EAB 10 2HM AZT 10 15.922 2.885 3.195 270 HL EAB 10 HL AZT 10 12.783 1.557 2.893 271 HK2 EAB 10 HK2 AZT 10 12.128 -0.787 3.184 272 HJ2 EAB 10 HJ2 AZT 10 13.809 -2.599 3.055 273 HG1 EAB 10 HG1 AZT 10 18.093 -3.930 1.234 274 HG2 EAB 10 HG2 AZT 10 21.668 -5.378 3.201 275 HD2 EAB 10 HD2 AZT 10 21.148 -3.960 5.159 276 HE EAB 10 HE AZT 10 19.158 -2.485 5.150 277 2HA EAB 10 2HA AZT 10 19.679 -6.539 0.918 278 3HA EAB 10 3HA AZT 10 21.330 -5.862 0.904 279 1HN EAB 10 H AZT 10 19.752 -3.925 -0.277 280 HJ1 EAB 10 HJ1 AZT 10 16.896 0.327 2.351 Start of MODEL 14 1 1H GLY 1 H GLY 1 5.942 -8.615 -21.506 2 1HA GLY 1 1HA GLY 1 8.135 -7.768 -20.886 3 2HA GLY 1 2HA GLY 1 6.871 -6.972 -19.929 4 HA PRO 2 HA PRO 2 9.964 -8.703 -16.962 5 1HB PRO 2 1HB PRO 2 9.994 -6.663 -15.166 6 2HB PRO 2 2HB PRO 2 10.860 -6.578 -16.727 7 1HG PRO 2 1HG PRO 2 8.109 -5.467 -16.077 8 2HG PRO 2 2HG PRO 2 9.480 -4.605 -16.828 9 1HD PRO 2 1HD PRO 2 7.485 -5.744 -18.311 10 2HD PRO 2 2HD PRO 2 9.178 -5.766 -18.890 11 H SER 3 H SER 3 9.454 -9.941 -15.156 12 HA SER 3 HA SER 3 6.633 -9.997 -14.361 13 1HB SER 3 1HB SER 3 7.990 -12.047 -14.812 14 2HB SER 3 2HB SER 3 8.976 -11.677 -13.377 15 HG SER 3 HG SER 3 6.889 -11.671 -12.219 16 H GLN 4 H GLN 4 9.589 -8.625 -13.032 17 HA GLN 4 HA GLN 4 10.187 -7.938 -10.913 18 1HB GLN 4 1HB GLN 4 7.607 -6.526 -11.604 19 2HB GLN 4 2HB GLN 4 8.548 -6.106 -10.158 20 1HG GLN 4 1HG GLN 4 10.465 -5.508 -11.476 21 2HG GLN 4 2HG GLN 4 9.722 -6.132 -12.957 22 1HE2 GLN 4 2HE2 GLN 4 9.102 -3.676 -10.319 23 2HE2 GLN 4 1HE2 GLN 4 8.499 -2.470 -11.432 24 HA PRO 5 HA PRO 5 7.436 -10.936 -8.596 25 1HB PRO 5 1HB PRO 5 9.247 -12.851 -7.947 26 2HB PRO 5 2HB PRO 5 8.521 -12.782 -9.580 27 1HG PRO 5 1HG PRO 5 11.196 -11.647 -8.682 28 2HG PRO 5 2HG PRO 5 10.867 -12.689 -10.100 29 1HD PRO 5 1HD PRO 5 11.004 -9.959 -10.259 30 2HD PRO 5 2HD PRO 5 9.916 -10.924 -11.306 31 H THR 6 H THR 6 7.614 -11.482 -6.278 32 HA THR 6 HA THR 6 9.532 -9.733 -4.799 33 HB THR 6 HB THR 6 6.718 -10.428 -4.145 34 HG1 THR 6 HG1 THR 6 6.169 -8.487 -4.896 35 1HG2 THR 6 1HG2 THR 6 6.909 -8.533 -2.513 36 2HG2 THR 6 2HG2 THR 6 8.641 -8.437 -2.921 37 3HG2 THR 6 3HG2 THR 6 7.984 -9.896 -2.151 38 H TYR 7 H TYR 7 10.872 -11.247 -4.636 39 HA TYR 7 HA TYR 7 10.456 -13.676 -2.938 40 1HB TYR 7 1HB TYR 7 11.088 -14.172 -5.216 41 2HB TYR 7 2HB TYR 7 12.445 -13.063 -5.138 42 HD1 TYR 7 HD1 TYR 7 14.510 -14.101 -5.048 43 HD2 TYR 7 HD2 TYR 7 11.146 -15.992 -3.117 44 HE1 TYR 7 HE1 TYR 7 15.951 -15.992 -4.407 45 HE2 TYR 7 HE2 TYR 7 12.597 -17.862 -2.407 46 HH TYR 7 HH TYR 7 14.708 -18.765 -2.471 47 HA PRO 8 HA PRO 8 13.056 -10.709 -0.475 48 1HB PRO 8 1HB PRO 8 12.021 -11.186 2.005 49 2HB PRO 8 2HB PRO 8 11.176 -10.161 0.806 50 1HG PRO 8 1HG PRO 8 10.722 -13.108 1.378 51 2HG PRO 8 2HG PRO 8 9.489 -11.810 1.317 52 1HD PRO 8 1HD PRO 8 10.005 -13.418 -0.827 53 2HD PRO 8 2HD PRO 8 9.634 -11.681 -1.042 54 H GLY 9 H GLY 9 14.665 -11.138 1.199 55 1HA GLY 9 1HA GLY 9 15.185 -13.905 2.045 56 2HA GLY 9 2HA GLY 9 16.361 -13.175 0.958 57 HA PRO 11 HA PRO 11 12.764 1.427 3.736 58 1HB PRO 11 1HB PRO 11 10.956 0.504 1.873 59 2HB PRO 11 2HB PRO 11 12.729 0.499 1.615 60 1HG PRO 11 1HG PRO 11 10.957 -1.782 2.524 61 2HG PRO 11 2HG PRO 11 12.274 -1.803 1.313 62 1HD PRO 11 1HD PRO 11 12.635 -2.641 3.899 63 2HD PRO 11 2HD PRO 11 13.938 -1.852 2.966 64 H VAL 12 H VAL 12 11.088 2.727 4.497 65 HA VAL 12 HA VAL 12 8.715 1.444 5.639 66 HB VAL 12 HB VAL 12 9.202 3.729 7.090 67 1HG1 VAL 12 1HG1 VAL 12 8.274 1.518 7.837 68 2HG1 VAL 12 2HG1 VAL 12 9.925 0.856 7.840 69 3HG1 VAL 12 3HG1 VAL 12 9.456 2.170 8.969 70 1HG2 VAL 12 1HG2 VAL 12 11.365 3.614 8.126 71 2HG2 VAL 12 2HG2 VAL 12 11.845 2.242 7.110 72 3HG2 VAL 12 3HG2 VAL 12 11.585 3.852 6.397 73 H GLU 13 H GLU 13 10.097 4.648 4.547 74 HA GLU 13 HA GLU 13 7.611 5.844 4.073 75 1HB GLU 13 1HB GLU 13 9.767 7.001 4.163 76 2HB GLU 13 2HB GLU 13 10.277 6.228 2.655 77 1HG GLU 13 1HG GLU 13 8.457 7.436 1.453 78 2HG GLU 13 2HG GLU 13 7.990 8.226 2.974 79 H ASP 14 H ASP 14 9.666 4.006 1.850 80 HA ASP 14 HA ASP 14 7.997 4.083 -0.462 81 1HB ASP 14 1HB ASP 14 10.373 2.518 0.501 82 2HB ASP 14 2HB ASP 14 9.389 1.697 -0.689 83 H LEU 15 H LEU 15 7.928 2.078 2.368 84 HA LEU 15 HA LEU 15 6.320 -0.114 1.282 85 1HB LEU 15 1HB LEU 15 8.117 -0.529 2.895 86 2HB LEU 15 2HB LEU 15 7.427 0.593 4.029 87 HG LEU 15 HG LEU 15 5.313 -1.055 3.878 88 1HD1 LEU 15 1HD1 LEU 15 6.053 -3.395 3.739 89 2HD1 LEU 15 2HD1 LEU 15 7.678 -2.863 3.251 90 3HD1 LEU 15 3HD1 LEU 15 6.295 -2.544 2.213 91 1HD2 LEU 15 1HD2 LEU 15 6.272 -2.193 5.890 92 2HD2 LEU 15 2HD2 LEU 15 6.316 -0.430 5.914 93 3HD2 LEU 15 3HD2 LEU 15 7.794 -1.318 5.587 94 H ILE 16 H ILE 16 5.860 2.443 3.796 95 HA ILE 16 HA ILE 16 3.132 1.746 4.276 96 HB ILE 16 HB ILE 16 3.022 3.728 5.650 97 1HG1 ILE 16 1HG1 ILE 16 5.479 4.589 4.190 98 2HG1 ILE 16 2HG1 ILE 16 4.085 5.501 4.705 99 1HG2 ILE 16 1HG2 ILE 16 5.600 2.202 6.094 100 2HG2 ILE 16 2HG2 ILE 16 4.601 3.018 7.306 101 3HG2 ILE 16 3HG2 ILE 16 3.959 1.618 6.459 102 1HD1 ILE 16 1HD1 ILE 16 5.995 6.247 5.956 103 2HD1 ILE 16 2HD1 ILE 16 4.955 5.349 7.078 104 3HD1 ILE 16 3HD1 ILE 16 6.421 4.601 6.433 105 H ARG 17 H ARG 17 4.582 4.304 2.137 106 HA ARG 17 HA ARG 17 2.000 5.425 1.666 107 1HB ARG 17 1HB ARG 17 3.035 6.780 0.001 108 2HB ARG 17 2HB ARG 17 4.224 6.539 1.283 109 1HG ARG 17 1HG ARG 17 5.195 4.629 -0.153 110 2HG ARG 17 2HG ARG 17 4.145 5.203 -1.462 111 1HD ARG 17 1HD ARG 17 5.175 7.434 -1.333 112 2HD ARG 17 2HD ARG 17 6.178 6.891 0.038 113 HE ARG 17 HE ARG 17 6.571 5.154 -2.205 114 1HH1 ARG 17 1HH1 ARG 17 7.369 8.405 -1.079 115 2HH1 ARG 17 2HH1 ARG 17 8.873 8.510 -1.912 116 1HH2 ARG 17 1HH2 ARG 17 8.498 5.179 -3.290 117 2HH2 ARG 17 2HH2 ARG 17 9.477 6.597 -3.384 118 H PHE 18 H PHE 18 3.532 2.754 0.270 119 HA PHE 18 HA PHE 18 1.901 2.556 -2.114 120 1HB PHE 18 1HB PHE 18 4.066 1.425 -1.905 121 2HB PHE 18 2HB PHE 18 3.495 0.501 -0.525 122 HD1 PHE 18 HD1 PHE 18 2.175 1.181 -4.024 123 HD2 PHE 18 HD2 PHE 18 3.211 -1.761 -1.032 124 HE1 PHE 18 HE1 PHE 18 1.625 -0.645 -5.580 125 HE2 PHE 18 HE2 PHE 18 2.603 -3.568 -2.590 126 HZ PHE 18 HZ PHE 18 1.843 -3.017 -4.894 127 H TYR 19 H TYR 19 1.742 1.181 1.183 128 HA TYR 19 HA TYR 19 -0.711 -0.231 0.685 129 1HB TYR 19 1HB TYR 19 1.051 -0.609 2.529 130 2HB TYR 19 2HB TYR 19 0.223 0.637 3.436 131 HD1 TYR 19 HD1 TYR 19 -1.781 0.080 4.687 132 HD2 TYR 19 HD2 TYR 19 -0.350 -2.582 1.613 133 HE1 TYR 19 HE1 TYR 19 -3.558 -1.541 5.261 134 HE2 TYR 19 HE2 TYR 19 -2.162 -4.196 2.165 135 HH TYR 19 HH TYR 19 -4.419 -3.790 4.852 136 H ASN 20 H ASN 20 0.048 2.893 2.163 137 HA ASN 20 HA ASN 20 -2.560 3.605 3.028 138 1HB ASN 20 1HB ASN 20 -0.075 5.171 2.304 139 2HB ASN 20 2HB ASN 20 -1.594 6.024 2.467 140 1HD2 ASN 20 2HD2 ASN 20 0.177 6.890 4.235 141 2HD2 ASN 20 1HD2 ASN 20 -0.436 6.361 5.784 142 H ASP 21 H ASP 21 -1.084 3.899 -0.210 143 HA ASP 21 HA ASP 21 -3.323 5.386 -1.325 144 1HB ASP 21 1HB ASP 21 -1.173 5.580 -2.402 145 2HB ASP 21 2HB ASP 21 -1.036 3.823 -2.579 146 H LEU 22 H LEU 22 -2.248 1.979 -1.373 147 HA LEU 22 HA LEU 22 -4.267 0.861 -2.969 148 1HB LEU 22 1HB LEU 22 -2.123 -0.177 -2.322 149 2HB LEU 22 2HB LEU 22 -2.674 -0.270 -0.652 150 HG LEU 22 HG LEU 22 -4.515 -1.817 -1.405 151 1HD1 LEU 22 1HD1 LEU 22 -2.874 -1.929 -3.980 152 2HD1 LEU 22 2HD1 LEU 22 -4.497 -1.244 -3.846 153 3HD1 LEU 22 3HD1 LEU 22 -4.251 -2.971 -3.569 154 1HD2 LEU 22 1HD2 LEU 22 -2.446 -2.592 -0.344 155 2HD2 LEU 22 2HD2 LEU 22 -1.627 -2.658 -1.926 156 3HD2 LEU 22 3HD2 LEU 22 -2.989 -3.752 -1.570 157 H GLN 23 H GLN 23 -4.157 1.445 0.497 158 HA GLN 23 HA GLN 23 -6.398 0.177 1.438 159 1HB GLN 23 1HB GLN 23 -4.761 0.844 2.917 160 2HB GLN 23 2HB GLN 23 -4.657 2.476 2.311 161 1HG GLN 23 1HG GLN 23 -6.970 1.468 4.001 162 2HG GLN 23 2HG GLN 23 -5.512 2.221 4.633 163 1HE2 GLN 23 2HE2 GLN 23 -5.388 4.285 2.299 164 2HE2 GLN 23 1HE2 GLN 23 -6.717 5.350 2.684 165 H GLN 24 H GLN 24 -6.642 3.148 -0.514 166 HA GLN 24 HA GLN 24 -9.032 4.155 0.724 167 1HB GLN 24 1HB GLN 24 -7.767 4.385 -2.002 168 2HB GLN 24 2HB GLN 24 -9.497 4.707 -1.913 169 1HG GLN 24 1HG GLN 24 -8.174 6.773 -1.669 170 2HG GLN 24 2HG GLN 24 -9.221 6.447 -0.287 171 1HE2 GLN 24 2HE2 GLN 24 -5.846 5.702 -1.338 172 2HE2 GLN 24 1HE2 GLN 24 -5.133 5.763 0.269 173 H TYR 25 H TYR 25 -8.618 1.702 -1.871 174 HA TYR 25 HA TYR 25 -11.378 1.042 -2.128 175 1HB TYR 25 1HB TYR 25 -9.239 0.475 -3.563 176 2HB TYR 25 2HB TYR 25 -9.119 -0.942 -2.528 177 HD1 TYR 25 HD1 TYR 25 -10.972 0.777 -5.189 178 HD2 TYR 25 HD2 TYR 25 -10.911 -2.725 -2.677 179 HE1 TYR 25 HE1 TYR 25 -12.652 -0.274 -6.641 180 HE2 TYR 25 HE2 TYR 25 -12.623 -3.785 -4.107 181 HH TYR 25 HH TYR 25 -13.671 -2.340 -7.173 182 H LEU 26 H LEU 26 -9.388 0.499 0.683 183 HA LEU 26 HA LEU 26 -11.039 -1.773 1.420 184 1HB LEU 26 1HB LEU 26 -8.169 -0.909 1.707 185 2HB LEU 26 2HB LEU 26 -8.837 -1.333 3.243 186 HG LEU 26 HG LEU 26 -8.815 -2.975 0.751 187 1HD1 LEU 26 1HD1 LEU 26 -6.573 -2.656 1.728 188 2HD1 LEU 26 2HD1 LEU 26 -7.068 -4.355 1.850 189 3HD1 LEU 26 3HD1 LEU 26 -7.143 -3.311 3.282 190 1HD2 LEU 26 1HD2 LEU 26 -10.707 -3.744 2.174 191 2HD2 LEU 26 2HD2 LEU 26 -9.619 -3.864 3.571 192 3HD2 LEU 26 3HD2 LEU 26 -9.426 -4.956 2.181 193 H ASN 27 H ASN 27 -11.021 1.305 1.699 194 HA ASN 27 HA ASN 27 -12.135 1.362 4.510 195 1HB ASN 27 1HB ASN 27 -10.056 2.638 4.306 196 2HB ASN 27 2HB ASN 27 -10.711 3.549 2.944 197 1HD2 ASN 27 2HD2 ASN 27 -11.075 5.620 3.678 198 2HD2 ASN 27 1HD2 ASN 27 -11.731 5.993 5.241 199 H VAL 28 H VAL 28 -12.405 2.639 1.178 200 HA VAL 28 HA VAL 28 -14.981 3.900 1.722 201 HB VAL 28 HB VAL 28 -13.698 3.247 -0.968 202 1HG1 VAL 28 1HG1 VAL 28 -16.143 3.933 -1.029 203 2HG1 VAL 28 2HG1 VAL 28 -15.701 5.453 -0.248 204 3HG1 VAL 28 3HG1 VAL 28 -15.071 5.056 -1.862 205 1HG2 VAL 28 1HG2 VAL 28 -12.827 5.540 -0.993 206 2HG2 VAL 28 2HG2 VAL 28 -13.506 5.852 0.615 207 3HG2 VAL 28 3HG2 VAL 28 -12.176 4.708 0.411 208 H VAL 29 H VAL 29 -13.863 0.731 0.378 209 HA VAL 29 HA VAL 29 -16.427 -0.023 -0.524 210 HB VAL 29 HB VAL 29 -13.911 -0.790 -0.930 211 1HG1 VAL 29 1HG1 VAL 29 -13.447 -3.074 -0.253 212 2HG1 VAL 29 2HG1 VAL 29 -13.456 -1.973 1.117 213 3HG1 VAL 29 3HG1 VAL 29 -14.841 -3.062 0.838 214 1HG2 VAL 29 1HG2 VAL 29 -14.781 -2.634 -2.257 215 2HG2 VAL 29 2HG2 VAL 29 -16.244 -2.730 -1.242 216 3HG2 VAL 29 3HG2 VAL 29 -15.956 -1.308 -2.266 217 H THR 30 H THR 30 -14.636 -0.791 2.412 218 HA THR 30 HA THR 30 -16.541 -2.468 3.549 219 HB THR 30 HB THR 30 -15.347 -1.935 5.618 220 HG1 THR 30 HG1 THR 30 -14.491 0.000 5.468 221 1HG2 THR 30 1HG2 THR 30 -13.346 -3.162 5.017 222 2HG2 THR 30 2HG2 THR 30 -13.429 -2.592 3.347 223 3HG2 THR 30 3HG2 THR 30 -14.632 -3.743 3.952 224 H ARG 31 H ARG 31 -16.433 1.007 3.460 225 HA ARG 31 HA ARG 31 -18.283 1.557 5.497 226 1HB ARG 31 1HB ARG 31 -16.843 3.051 3.683 227 2HB ARG 31 2HB ARG 31 -18.453 3.209 3.004 228 1HG ARG 31 1HG ARG 31 -17.627 3.939 5.842 229 2HG ARG 31 2HG ARG 31 -17.735 5.054 4.490 230 1HD ARG 31 1HD ARG 31 -20.232 4.401 4.332 231 2HD ARG 31 2HD ARG 31 -20.003 3.597 5.887 232 HE ARG 31 HE ARG 31 -20.081 5.617 6.942 233 1HH1 ARG 31 1HH1 ARG 31 -19.548 6.357 3.482 234 2HH1 ARG 31 2HH1 ARG 31 -19.417 8.061 3.801 235 1HH2 ARG 31 1HH2 ARG 31 -20.025 7.799 7.235 236 2HH2 ARG 31 2HH2 ARG 31 -19.686 8.900 5.918 237 H HIS 32 H HIS 32 -18.835 -0.180 2.717 238 HA HIS 32 HA HIS 32 -21.754 -0.057 2.966 239 1HB HIS 32 1HB HIS 32 -19.912 0.292 0.597 240 2HB HIS 32 2HB HIS 32 -21.373 -0.605 0.333 241 HD1 HIS 32 HD1 HIS 32 -23.681 0.863 1.426 242 HD2 HIS 32 HD2 HIS 32 -20.099 2.857 0.427 243 HE1 HIS 32 HE1 HIS 32 -24.277 3.324 1.126 244 H ARG 33 H ARG 33 -19.119 -1.888 3.318 245 HA ARG 33 HA ARG 33 -20.474 -4.347 3.636 246 1HB ARG 33 1HB ARG 33 -20.612 -4.431 1.203 247 2HB ARG 33 2HB ARG 33 -18.869 -4.229 1.048 248 1HG ARG 33 1HG ARG 33 -18.463 -6.425 1.927 249 2HG ARG 33 2HG ARG 33 -20.099 -6.555 2.590 250 1HD ARG 33 1HD ARG 33 -21.046 -6.845 0.434 251 2HD ARG 33 2HD ARG 33 -19.612 -6.230 -0.380 252 HE ARG 33 HE ARG 33 -19.757 -8.795 1.150 253 1HH1 ARG 33 1HH1 ARG 33 -18.346 -6.940 -1.565 254 2HH1 ARG 33 2HH1 ARG 33 -17.459 -8.273 -2.188 255 1HH2 ARG 33 1HH2 ARG 33 -18.374 -10.435 0.526 256 2HH2 ARG 33 2HH2 ARG 33 -17.467 -10.367 -0.935 257 H TYR 34 H TYR 34 -19.081 -3.686 5.636 258 HA TYR 34 HA TYR 34 -16.203 -4.199 5.410 259 1HB TYR 34 1HB TYR 34 -16.838 -2.556 7.062 260 2HB TYR 34 2HB TYR 34 -18.142 -3.563 7.668 261 HD1 TYR 34 HD1 TYR 34 -17.806 -5.285 9.243 262 HD2 TYR 34 HD2 TYR 34 -14.378 -3.323 7.509 263 HE1 TYR 34 HE1 TYR 34 -16.363 -6.509 10.774 264 HE2 TYR 34 HE2 TYR 34 -12.893 -4.553 9.072 265 HH TYR 34 HH TYR 34 -14.215 -6.931 11.430 266 1HN NH2 35 1H NH2 35 -19.259 -5.826 6.361 267 2HN NH2 35 2H NH2 35 -18.521 -7.412 6.556 268 3HM EAB 10 3HM AZT 10 14.758 -2.168 5.357 269 2HM EAB 10 2HM AZT 10 14.740 -1.396 6.933 270 HL EAB 10 HL AZT 10 11.497 -1.522 7.193 271 HK2 EAB 10 HK2 AZT 10 10.181 -3.370 8.170 272 HJ2 EAB 10 HJ2 AZT 10 11.030 -5.704 8.110 273 HG1 EAB 10 HG1 AZT 10 15.635 -7.764 4.350 274 HG2 EAB 10 HG2 AZT 10 16.409 -11.652 6.048 275 HD2 EAB 10 HD2 AZT 10 15.016 -11.082 7.998 276 HE EAB 10 HE AZT 10 13.981 -8.834 8.178 277 2HA EAB 10 2HA AZT 10 17.901 -10.638 4.319 278 3HA EAB 10 3HA AZT 10 17.381 -9.192 3.446 279 1HN EAB 10 H AZT 10 16.170 -10.478 2.014 280 HJ1 EAB 10 HJ1 AZT 10 14.622 -4.296 6.190 Start of MODEL 15 1 1H GLY 1 H GLY 1 -0.477 -6.421 -16.291 2 1HA GLY 1 1HA GLY 1 -0.655 -6.041 -13.891 3 2HA GLY 1 2HA GLY 1 -0.855 -7.770 -14.285 4 HA PRO 2 HA PRO 2 2.936 -6.798 -11.560 5 1HB PRO 2 1HB PRO 2 1.993 -7.218 -9.018 6 2HB PRO 2 2HB PRO 2 1.963 -5.641 -9.876 7 1HG PRO 2 1HG PRO 2 -0.259 -7.662 -9.621 8 2HG PRO 2 2HG PRO 2 -0.333 -5.905 -9.318 9 1HD PRO 2 1HD PRO 2 -1.122 -7.020 -11.681 10 2HD PRO 2 2HD PRO 2 -0.306 -5.422 -11.632 11 H SER 3 H SER 3 4.295 -8.397 -11.148 12 HA SER 3 HA SER 3 3.599 -11.038 -10.295 13 1HB SER 3 1HB SER 3 3.154 -11.099 -12.798 14 2HB SER 3 2HB SER 3 4.830 -10.603 -13.066 15 HG SER 3 HG SER 3 4.364 -12.900 -13.167 16 H GLN 4 H GLN 4 5.697 -12.129 -9.944 17 HA GLN 4 HA GLN 4 7.688 -12.204 -8.891 18 1HB GLN 4 1HB GLN 4 8.698 -10.480 -11.174 19 2HB GLN 4 2HB GLN 4 9.569 -11.692 -10.225 20 1HG GLN 4 1HG GLN 4 7.930 -13.430 -11.152 21 2HG GLN 4 2HG GLN 4 7.324 -12.170 -12.227 22 1HE2 GLN 4 2HE2 GLN 4 10.376 -13.781 -11.264 23 2HE2 GLN 4 1HE2 GLN 4 11.096 -13.777 -12.867 24 HA PRO 5 HA PRO 5 7.182 -7.956 -6.980 25 1HB PRO 5 1HB PRO 5 6.468 -8.720 -4.462 26 2HB PRO 5 2HB PRO 5 5.282 -8.595 -5.796 27 1HG PRO 5 1HG PRO 5 6.723 -11.071 -4.793 28 2HG PRO 5 2HG PRO 5 4.970 -10.873 -5.107 29 1HD PRO 5 1HD PRO 5 6.635 -12.005 -6.934 30 2HD PRO 5 2HD PRO 5 5.286 -10.947 -7.441 31 H THR 6 H THR 6 8.564 -6.995 -5.356 32 HA THR 6 HA THR 6 10.916 -8.684 -4.594 33 HB THR 6 HB THR 6 12.133 -6.512 -4.520 34 HG1 THR 6 HG1 THR 6 9.627 -5.551 -5.050 35 1HG2 THR 6 1HG2 THR 6 12.248 -7.962 -6.494 36 2HG2 THR 6 2HG2 THR 6 12.363 -6.251 -6.928 37 3HG2 THR 6 3HG2 THR 6 10.847 -7.133 -7.215 38 H TYR 7 H TYR 7 11.990 -8.157 -2.574 39 HA TYR 7 HA TYR 7 10.119 -7.175 -0.475 40 1HB TYR 7 1HB TYR 7 11.330 -8.786 1.010 41 2HB TYR 7 2HB TYR 7 10.315 -9.502 -0.219 42 HD1 TYR 7 HD1 TYR 7 11.179 -11.185 -1.634 43 HD2 TYR 7 HD2 TYR 7 13.889 -8.678 0.586 44 HE1 TYR 7 HE1 TYR 7 13.054 -12.638 -2.296 45 HE2 TYR 7 HE2 TYR 7 15.767 -10.116 -0.052 46 HH TYR 7 HH TYR 7 16.439 -12.007 -1.240 47 HA PRO 8 HA PRO 8 13.241 -4.251 0.462 48 1HB PRO 8 1HB PRO 8 12.922 -3.714 3.118 49 2HB PRO 8 2HB PRO 8 11.674 -3.315 1.901 50 1HG PRO 8 1HG PRO 8 11.802 -5.732 3.727 51 2HG PRO 8 2HG PRO 8 10.396 -4.669 3.383 52 1HD PRO 8 1HD PRO 8 10.855 -7.066 2.126 53 2HD PRO 8 2HD PRO 8 9.996 -5.706 1.335 54 H GLY 9 H GLY 9 15.277 -3.860 1.748 55 1HA GLY 9 1HA GLY 9 16.334 -5.880 3.439 56 2HA GLY 9 2HA GLY 9 16.991 -6.040 1.791 57 HA PRO 11 HA PRO 11 12.075 6.545 4.682 58 1HB PRO 11 1HB PRO 11 10.642 5.315 2.716 59 2HB PRO 11 2HB PRO 11 12.325 5.865 2.460 60 1HG PRO 11 1HG PRO 11 11.388 3.065 3.131 61 2HG PRO 11 2HG PRO 11 12.564 3.571 1.882 62 1HD PRO 11 1HD PRO 11 13.303 2.670 4.382 63 2HD PRO 11 2HD PRO 11 14.260 3.879 3.474 64 H VAL 12 H VAL 12 10.021 6.951 5.740 65 HA VAL 12 HA VAL 12 8.593 4.559 6.726 66 HB VAL 12 HB VAL 12 8.458 6.618 8.688 67 1HG1 VAL 12 1HG1 VAL 12 9.281 4.843 10.181 68 2HG1 VAL 12 2HG1 VAL 12 8.161 4.133 9.021 69 3HG1 VAL 12 3HG1 VAL 12 9.904 3.931 8.793 70 1HG2 VAL 12 1HG2 VAL 12 10.636 6.809 9.619 71 2HG2 VAL 12 2HG2 VAL 12 11.345 5.815 8.335 72 3HG2 VAL 12 3HG2 VAL 12 10.704 7.431 7.965 73 H GLU 13 H GLU 13 8.196 8.174 6.762 74 HA GLU 13 HA GLU 13 5.345 7.862 6.507 75 1HB GLU 13 1HB GLU 13 6.680 9.884 7.387 76 2HB GLU 13 2HB GLU 13 7.032 10.287 5.704 77 1HG GLU 13 1HG GLU 13 4.445 10.198 5.409 78 2HG GLU 13 2HG GLU 13 4.382 10.217 7.178 79 H ASP 14 H ASP 14 7.922 8.709 4.297 80 HA ASP 14 HA ASP 14 6.418 8.845 1.889 81 1HB ASP 14 1HB ASP 14 9.402 8.452 2.207 82 2HB ASP 14 2HB ASP 14 8.561 9.238 0.869 83 H LEU 15 H LEU 15 6.696 6.200 3.603 84 HA LEU 15 HA LEU 15 7.207 4.306 1.354 85 1HB LEU 15 1HB LEU 15 8.892 3.986 3.043 86 2HB LEU 15 2HB LEU 15 7.702 4.010 4.340 87 HG LEU 15 HG LEU 15 6.737 1.883 3.565 88 1HD1 LEU 15 1HD1 LEU 15 8.017 0.593 1.801 89 2HD1 LEU 15 2HD1 LEU 15 8.879 2.096 1.409 90 3HD1 LEU 15 3HD1 LEU 15 7.114 1.977 1.177 91 1HD2 LEU 15 1HD2 LEU 15 9.763 1.652 3.777 92 2HD2 LEU 15 2HD2 LEU 15 8.539 0.448 4.233 93 3HD2 LEU 15 3HD2 LEU 15 8.678 1.963 5.139 94 H ILE 16 H ILE 16 5.388 4.561 4.492 95 HA ILE 16 HA ILE 16 3.473 2.625 3.905 96 HB ILE 16 HB ILE 16 2.095 3.742 5.639 97 1HG1 ILE 16 1HG1 ILE 16 4.135 5.972 5.732 98 2HG1 ILE 16 2HG1 ILE 16 2.554 6.107 4.979 99 1HG2 ILE 16 1HG2 ILE 16 3.959 2.209 6.192 100 2HG2 ILE 16 2HG2 ILE 16 5.067 3.568 6.331 101 3HG2 ILE 16 3HG2 ILE 16 3.700 3.411 7.458 102 1HD1 ILE 16 1HD1 ILE 16 1.467 5.590 7.152 103 2HD1 ILE 16 2HD1 ILE 16 3.068 5.566 7.925 104 3HD1 ILE 16 3HD1 ILE 16 2.460 7.058 7.189 105 H ARG 17 H ARG 17 3.519 5.844 2.534 106 HA ARG 17 HA ARG 17 0.795 5.999 1.772 107 1HB ARG 17 1HB ARG 17 3.261 6.953 0.271 108 2HB ARG 17 2HB ARG 17 1.615 7.479 -0.076 109 1HG ARG 17 1HG ARG 17 1.443 8.739 1.929 110 2HG ARG 17 2HG ARG 17 2.873 7.971 2.635 111 1HD ARG 17 1HD ARG 17 4.255 8.940 0.757 112 2HD ARG 17 2HD ARG 17 2.833 9.855 0.235 113 HE ARG 17 HE ARG 17 3.044 10.504 2.876 114 1HH1 ARG 17 1HH1 ARG 17 5.479 10.616 0.213 115 2HH1 ARG 17 2HH1 ARG 17 6.554 11.550 1.197 116 1HH2 ARG 17 1HH2 ARG 17 4.441 12.124 3.912 117 2HH2 ARG 17 2HH2 ARG 17 5.851 12.632 3.040 118 H PHE 18 H PHE 18 3.348 4.178 0.481 119 HA PHE 18 HA PHE 18 2.107 3.500 -2.036 120 1HB PHE 18 1HB PHE 18 4.647 3.502 -1.322 121 2HB PHE 18 2HB PHE 18 4.320 1.867 -0.758 122 HD1 PHE 18 HD1 PHE 18 3.596 4.030 -3.780 123 HD2 PHE 18 HD2 PHE 18 4.936 0.180 -2.345 124 HE1 PHE 18 HE1 PHE 18 3.982 3.306 -6.089 125 HE2 PHE 18 HE2 PHE 18 5.408 -0.508 -4.670 126 HZ PHE 18 HZ PHE 18 4.906 1.057 -6.569 127 H TYR 19 H TYR 19 1.398 2.439 1.045 128 HA TYR 19 HA TYR 19 0.160 -0.072 -0.017 129 1HB TYR 19 1HB TYR 19 2.057 -0.084 1.854 130 2HB TYR 19 2HB TYR 19 0.752 0.345 2.906 131 HD1 TYR 19 HD1 TYR 19 -0.716 -1.412 3.756 132 HD2 TYR 19 HD2 TYR 19 1.668 -2.124 0.236 133 HE1 TYR 19 HE1 TYR 19 -1.279 -3.825 3.856 134 HE2 TYR 19 HE2 TYR 19 1.067 -4.518 0.304 135 HH TYR 19 HH TYR 19 -0.623 -5.994 3.055 136 H ASN 20 H ASN 20 -0.155 2.813 1.955 137 HA ASN 20 HA ASN 20 -2.825 2.488 2.864 138 1HB ASN 20 1HB ASN 20 -1.010 4.876 2.410 139 2HB ASN 20 2HB ASN 20 -2.669 5.100 2.909 140 1HD2 ASN 20 2HD2 ASN 20 -0.391 5.845 4.468 141 2HD2 ASN 20 1HD2 ASN 20 -0.476 4.914 5.959 142 H ASP 21 H ASP 21 -1.482 3.798 -0.188 143 HA ASP 21 HA ASP 21 -3.841 4.962 -1.257 144 1HB ASP 21 1HB ASP 21 -1.697 5.334 -2.274 145 2HB ASP 21 2HB ASP 21 -1.400 3.596 -2.456 146 H LEU 22 H LEU 22 -2.569 1.653 -1.299 147 HA LEU 22 HA LEU 22 -4.617 0.543 -2.993 148 1HB LEU 22 1HB LEU 22 -2.729 -0.850 -1.100 149 2HB LEU 22 2HB LEU 22 -3.669 -1.622 -2.374 150 HG LEU 22 HG LEU 22 -1.468 0.466 -2.779 151 1HD1 LEU 22 1HD1 LEU 22 -1.407 -2.512 -3.366 152 2HD1 LEU 22 2HD1 LEU 22 -0.638 -1.726 -1.972 153 3HD1 LEU 22 3HD1 LEU 22 -0.101 -1.320 -3.601 154 1HD2 LEU 22 1HD2 LEU 22 -3.038 -1.163 -4.823 155 2HD2 LEU 22 2HD2 LEU 22 -1.603 -0.180 -5.184 156 3HD2 LEU 22 3HD2 LEU 22 -3.081 0.603 -4.622 157 H GLN 23 H GLN 23 -4.057 0.651 0.552 158 HA GLN 23 HA GLN 23 -6.386 -0.766 1.355 159 1HB GLN 23 1HB GLN 23 -4.799 1.438 2.742 160 2HB GLN 23 2HB GLN 23 -6.150 0.613 3.497 161 1HG GLN 23 1HG GLN 23 -4.970 -1.552 3.336 162 2HG GLN 23 2HG GLN 23 -3.576 -0.735 2.614 163 1HE2 GLN 23 2HE2 GLN 23 -5.731 -0.580 5.532 164 2HE2 GLN 23 1HE2 GLN 23 -4.501 0.049 6.611 165 H GLN 24 H GLN 24 -6.311 2.292 -0.226 166 HA GLN 24 HA GLN 24 -8.451 3.686 1.011 167 1HB GLN 24 1HB GLN 24 -6.824 4.487 -0.688 168 2HB GLN 24 2HB GLN 24 -7.644 3.502 -1.917 169 1HG GLN 24 1HG GLN 24 -9.619 4.891 -1.798 170 2HG GLN 24 2HG GLN 24 -8.958 5.788 -0.423 171 1HE2 GLN 24 2HE2 GLN 24 -6.413 5.066 -2.684 172 2HE2 GLN 24 1HE2 GLN 24 -6.291 6.685 -3.290 173 H TYR 25 H TYR 25 -8.380 1.161 -1.539 174 HA TYR 25 HA TYR 25 -11.188 0.899 -1.938 175 1HB TYR 25 1HB TYR 25 -9.178 0.081 -3.362 176 2HB TYR 25 2HB TYR 25 -9.082 -1.269 -2.255 177 HD1 TYR 25 HD1 TYR 25 -11.117 0.456 -4.829 178 HD2 TYR 25 HD2 TYR 25 -10.698 -3.126 -2.453 179 HE1 TYR 25 HE1 TYR 25 -12.764 -0.674 -6.258 180 HE2 TYR 25 HE2 TYR 25 -12.403 -4.255 -3.858 181 HH TYR 25 HH TYR 25 -13.748 -2.707 -6.765 182 H LEU 26 H LEU 26 -9.423 0.118 0.983 183 HA LEU 26 HA LEU 26 -11.360 -1.978 1.625 184 1HB LEU 26 1HB LEU 26 -8.413 -1.475 2.058 185 2HB LEU 26 2HB LEU 26 -9.236 -1.796 3.540 186 HG LEU 26 HG LEU 26 -9.362 -3.459 1.048 187 1HD1 LEU 26 1HD1 LEU 26 -7.805 -5.044 2.140 188 2HD1 LEU 26 2HD1 LEU 26 -7.734 -3.993 3.572 189 3HD1 LEU 26 3HD1 LEU 26 -7.079 -3.440 2.014 190 1HD2 LEU 26 1HD2 LEU 26 -10.384 -4.028 3.872 191 2HD2 LEU 26 2HD2 LEU 26 -10.156 -5.310 2.686 192 3HD2 LEU 26 3HD2 LEU 26 -11.326 -4.020 2.368 193 H ASN 27 H ASN 27 -10.771 1.157 1.928 194 HA ASN 27 HA ASN 27 -12.017 1.469 4.657 195 1HB ASN 27 1HB ASN 27 -9.793 2.510 4.387 196 2HB ASN 27 2HB ASN 27 -10.388 3.438 3.002 197 1HD2 ASN 27 2HD2 ASN 27 -10.226 5.565 3.888 198 2HD2 ASN 27 1HD2 ASN 27 -10.905 5.998 5.429 199 H VAL 28 H VAL 28 -12.163 2.538 1.257 200 HA VAL 28 HA VAL 28 -14.638 4.021 1.708 201 HB VAL 28 HB VAL 28 -13.041 3.320 -0.792 202 1HG1 VAL 28 1HG1 VAL 28 -15.342 3.754 -1.461 203 2HG1 VAL 28 2HG1 VAL 28 -15.400 5.216 -0.458 204 3HG1 VAL 28 3HG1 VAL 28 -14.347 5.151 -1.888 205 1HG2 VAL 28 1HG2 VAL 28 -13.254 5.911 0.811 206 2HG2 VAL 28 2HG2 VAL 28 -11.835 4.837 0.765 207 3HG2 VAL 28 3HG2 VAL 28 -12.334 5.683 -0.697 208 H VAL 29 H VAL 29 -13.729 0.799 0.218 209 HA VAL 29 HA VAL 29 -16.369 0.348 -0.707 210 HB VAL 29 HB VAL 29 -13.914 -0.789 -0.990 211 1HG1 VAL 29 1HG1 VAL 29 -15.463 -2.954 0.456 212 2HG1 VAL 29 2HG1 VAL 29 -13.988 -3.171 -0.502 213 3HG1 VAL 29 3HG1 VAL 29 -13.927 -2.205 0.970 214 1HG2 VAL 29 1HG2 VAL 29 -15.788 -0.759 -2.599 215 2HG2 VAL 29 2HG2 VAL 29 -14.956 -2.317 -2.565 216 3HG2 VAL 29 3HG2 VAL 29 -16.533 -2.129 -1.754 217 H THR 30 H THR 30 -14.757 -0.508 2.304 218 HA THR 30 HA THR 30 -16.882 -1.980 3.440 219 HB THR 30 HB THR 30 -15.605 -1.322 5.566 220 HG1 THR 30 HG1 THR 30 -13.347 -0.637 4.674 221 1HG2 THR 30 1HG2 THR 30 -13.689 -2.798 5.047 222 2HG2 THR 30 2HG2 THR 30 -14.032 -2.667 3.310 223 3HG2 THR 30 3HG2 THR 30 -15.187 -3.465 4.400 224 H ARG 31 H ARG 31 -16.232 1.499 3.222 225 HA ARG 31 HA ARG 31 -18.028 2.268 5.205 226 1HB ARG 31 1HB ARG 31 -16.321 3.659 3.649 227 2HB ARG 31 2HB ARG 31 -17.741 3.902 2.667 228 1HG ARG 31 1HG ARG 31 -17.664 5.802 3.991 229 2HG ARG 31 2HG ARG 31 -18.862 4.841 4.850 230 1HD ARG 31 1HD ARG 31 -15.889 4.811 5.505 231 2HD ARG 31 2HD ARG 31 -16.990 6.009 6.204 232 HE ARG 31 HE ARG 31 -18.091 3.461 6.701 233 1HH1 ARG 31 1HH1 ARG 31 -15.141 5.199 7.640 234 2HH1 ARG 31 2HH1 ARG 31 -15.310 4.852 9.335 235 1HH2 ARG 31 1HH2 ARG 31 -18.059 2.639 8.750 236 2HH2 ARG 31 2HH2 ARG 31 -16.958 3.216 9.986 237 H HIS 32 H HIS 32 -18.748 0.972 2.222 238 HA HIS 32 HA HIS 32 -21.650 1.483 2.563 239 1HB HIS 32 1HB HIS 32 -19.752 1.827 0.245 240 2HB HIS 32 2HB HIS 32 -21.324 1.215 -0.137 241 HD1 HIS 32 HD1 HIS 32 -22.904 3.201 -0.848 242 HD2 HIS 32 HD2 HIS 32 -19.990 4.212 2.035 243 HE1 HIS 32 HE1 HIS 32 -23.259 5.632 -0.280 244 H ARG 33 H ARG 33 -19.481 -0.895 2.737 245 HA ARG 33 HA ARG 33 -21.473 -2.951 2.437 246 1HB ARG 33 1HB ARG 33 -20.487 -2.350 -0.013 247 2HB ARG 33 2HB ARG 33 -19.220 -3.455 0.481 248 1HG ARG 33 1HG ARG 33 -21.100 -5.123 1.081 249 2HG ARG 33 2HG ARG 33 -22.230 -3.964 0.378 250 1HD ARG 33 1HD ARG 33 -20.944 -4.146 -1.792 251 2HD ARG 33 2HD ARG 33 -19.928 -5.373 -1.043 252 HE ARG 33 HE ARG 33 -21.603 -6.912 -1.086 253 1HH1 ARG 33 1HH1 ARG 33 -22.925 -3.822 -2.258 254 2HH1 ARG 33 2HH1 ARG 33 -24.408 -4.525 -2.821 255 1HH2 ARG 33 1HH2 ARG 33 -23.732 -7.699 -1.402 256 2HH2 ARG 33 2HH2 ARG 33 -24.906 -6.751 -2.273 257 H TYR 34 H TYR 34 -19.521 -2.162 4.592 258 HA TYR 34 HA TYR 34 -17.374 -3.990 4.670 259 1HB TYR 34 1HB TYR 34 -17.213 -3.584 6.989 260 2HB TYR 34 2HB TYR 34 -17.599 -2.072 6.238 261 HD1 TYR 34 HD1 TYR 34 -19.898 -1.051 6.542 262 HD2 TYR 34 HD2 TYR 34 -18.711 -4.695 8.520 263 HE1 TYR 34 HE1 TYR 34 -21.779 -0.790 8.117 264 HE2 TYR 34 HE2 TYR 34 -20.620 -4.458 10.069 265 HH TYR 34 HH TYR 34 -22.738 -1.597 10.121 266 1HN NH2 35 1H NH2 35 -20.808 -4.433 5.710 267 2HN NH2 35 2H NH2 35 -20.643 -6.155 5.912 268 3HM EAB 10 3HM AZT 10 15.487 3.902 5.615 269 2HM EAB 10 2HM AZT 10 15.369 4.525 7.262 270 HL EAB 10 HL AZT 10 12.291 3.027 7.293 271 HK2 EAB 10 HK2 AZT 10 11.811 0.761 8.067 272 HJ2 EAB 10 HJ2 AZT 10 13.594 -0.947 8.221 273 HG1 EAB 10 HG1 AZT 10 18.002 -1.603 4.611 274 HG2 EAB 10 HG2 AZT 10 20.323 -4.802 6.344 275 HD2 EAB 10 HD2 AZT 10 19.550 -4.144 8.592 276 HE EAB 10 HE AZT 10 17.996 -2.223 8.873 277 2HA EAB 10 2HA AZT 10 20.585 -4.180 4.000 278 3HA EAB 10 3HA AZT 10 19.706 -2.808 3.285 279 1HN EAB 10 H AZT 10 18.587 -5.517 3.891 280 HJ1 EAB 10 HJ1 AZT 10 16.463 1.937 6.796 Start of MODEL 16 1 1H GLY 1 H GLY 1 -4.423 -13.581 -0.278 2 1HA GLY 1 1HA GLY 1 -5.907 -13.860 2.279 3 2HA GLY 1 2HA GLY 1 -4.152 -14.043 2.166 4 HA PRO 2 HA PRO 2 -5.391 -9.396 1.398 5 1HB PRO 2 1HB PRO 2 -7.028 -8.447 3.410 6 2HB PRO 2 2HB PRO 2 -7.580 -8.973 1.797 7 1HG PRO 2 1HG PRO 2 -7.540 -10.566 4.358 8 2HG PRO 2 2HG PRO 2 -8.882 -10.410 3.178 9 1HD PRO 2 1HD PRO 2 -7.243 -12.562 3.147 10 2HD PRO 2 2HD PRO 2 -7.757 -11.801 1.615 11 H SER 3 H SER 3 -5.203 -10.803 4.799 12 HA SER 3 HA SER 3 -3.634 -8.612 5.759 13 1HB SER 3 1HB SER 3 -4.044 -11.458 6.732 14 2HB SER 3 2HB SER 3 -2.971 -10.317 7.555 15 HG SER 3 HG SER 3 -5.535 -10.485 7.914 16 H GLN 4 H GLN 4 -1.518 -8.188 5.605 17 HA GLN 4 HA GLN 4 0.412 -10.165 4.575 18 1HB GLN 4 1HB GLN 4 -0.473 -8.962 2.637 19 2HB GLN 4 2HB GLN 4 -0.145 -7.409 3.406 20 1HG GLN 4 1HG GLN 4 1.540 -7.948 1.710 21 2HG GLN 4 2HG GLN 4 2.264 -7.833 3.312 22 1HE2 GLN 4 2HE2 GLN 4 1.527 -10.013 0.629 23 2HE2 GLN 4 1HE2 GLN 4 2.488 -11.348 1.260 24 HA PRO 5 HA PRO 5 1.864 -7.783 8.298 25 1HB PRO 5 1HB PRO 5 3.097 -9.811 9.622 26 2HB PRO 5 2HB PRO 5 1.325 -9.569 9.626 27 1HG PRO 5 1HG PRO 5 2.937 -11.457 7.895 28 2HG PRO 5 2HG PRO 5 1.464 -11.825 8.821 29 1HD PRO 5 1HD PRO 5 1.472 -11.215 6.150 30 2HD PRO 5 2HD PRO 5 0.106 -10.760 7.215 31 H THR 6 H THR 6 3.481 -6.444 7.532 32 HA THR 6 HA THR 6 5.806 -7.475 6.096 33 HB THR 6 HB THR 6 6.469 -5.052 6.165 34 HG1 THR 6 HG1 THR 6 5.088 -4.856 8.194 35 1HG2 THR 6 1HG2 THR 6 3.603 -5.527 5.224 36 2HG2 THR 6 2HG2 THR 6 5.078 -5.927 4.324 37 3HG2 THR 6 3HG2 THR 6 4.698 -4.229 4.690 38 H TYR 7 H TYR 7 7.918 -7.789 6.949 39 HA TYR 7 HA TYR 7 8.361 -6.837 9.725 40 1HB TYR 7 1HB TYR 7 7.611 -9.209 9.665 41 2HB TYR 7 2HB TYR 7 9.045 -9.608 8.727 42 HD1 TYR 7 HD1 TYR 7 11.021 -10.182 9.922 43 HD2 TYR 7 HD2 TYR 7 8.007 -7.798 11.863 44 HE1 TYR 7 HE1 TYR 7 12.188 -10.482 12.101 45 HE2 TYR 7 HE2 TYR 7 9.222 -7.980 14.006 46 HH TYR 7 HH TYR 7 10.889 -9.096 15.146 47 HA PRO 8 HA PRO 8 11.911 -5.649 7.005 48 1HB PRO 8 1HB PRO 8 12.240 -3.083 7.864 49 2HB PRO 8 2HB PRO 8 10.910 -3.523 6.748 50 1HG PRO 8 1HG PRO 8 10.782 -3.252 9.774 51 2HG PRO 8 2HG PRO 8 9.708 -2.496 8.557 52 1HD PRO 8 1HD PRO 8 9.057 -4.815 9.823 53 2HD PRO 8 2HD PRO 8 8.612 -4.533 8.111 54 H GLY 9 H GLY 9 14.159 -4.843 7.732 55 1HA GLY 9 1HA GLY 9 14.910 -4.500 10.379 56 2HA GLY 9 2HA GLY 9 14.911 -6.244 10.164 57 HA PRO 11 HA PRO 11 13.058 4.291 -2.186 58 1HB PRO 11 1HB PRO 11 11.422 4.281 -4.367 59 2HB PRO 11 2HB PRO 11 13.198 4.106 -4.495 60 1HG PRO 11 1HG PRO 11 11.109 1.911 -4.498 61 2HG PRO 11 2HG PRO 11 12.491 2.134 -5.624 62 1HD PRO 11 1HD PRO 11 12.621 0.448 -3.467 63 2HD PRO 11 2HD PRO 11 14.036 1.378 -4.025 64 H VAL 12 H VAL 12 12.117 3.971 -0.180 65 HA VAL 12 HA VAL 12 9.834 2.962 0.693 66 HB VAL 12 HB VAL 12 10.598 5.782 1.533 67 1HG1 VAL 12 1HG1 VAL 12 8.688 4.734 2.691 68 2HG1 VAL 12 2HG1 VAL 12 9.694 3.322 3.088 69 3HG1 VAL 12 3HG1 VAL 12 10.061 4.914 3.790 70 1HG2 VAL 12 1HG2 VAL 12 12.301 4.808 3.037 71 2HG2 VAL 12 2HG2 VAL 12 12.118 3.247 2.199 72 3HG2 VAL 12 3HG2 VAL 12 12.751 4.670 1.346 73 H GLU 13 H GLU 13 9.913 6.321 -0.604 74 HA GLU 13 HA GLU 13 7.243 6.884 -0.414 75 1HB GLU 13 1HB GLU 13 9.464 8.193 -1.182 76 2HB GLU 13 2HB GLU 13 8.827 7.905 -2.793 77 1HG GLU 13 1HG GLU 13 7.328 9.245 -0.496 78 2HG GLU 13 2HG GLU 13 8.267 10.120 -1.700 79 H ASP 14 H ASP 14 8.726 4.942 -2.985 80 HA ASP 14 HA ASP 14 6.385 5.056 -4.724 81 1HB ASP 14 1HB ASP 14 8.665 4.803 -5.594 82 2HB ASP 14 2HB ASP 14 8.838 3.268 -4.732 83 H LEU 15 H LEU 15 7.775 2.824 -2.337 84 HA LEU 15 HA LEU 15 5.874 0.710 -2.846 85 1HB LEU 15 1HB LEU 15 8.373 0.745 -1.895 86 2HB LEU 15 2HB LEU 15 7.559 0.901 -0.356 87 HG LEU 15 HG LEU 15 8.123 -1.368 -0.798 88 1HD1 LEU 15 1HD1 LEU 15 6.073 -2.556 -0.462 89 2HD1 LEU 15 2HD1 LEU 15 5.119 -1.292 -1.251 90 3HD1 LEU 15 3HD1 LEU 15 5.891 -0.973 0.313 91 1HD2 LEU 15 1HD2 LEU 15 6.442 -1.356 -3.320 92 2HD2 LEU 15 2HD2 LEU 15 7.407 -2.697 -2.669 93 3HD2 LEU 15 3HD2 LEU 15 8.205 -1.247 -3.275 94 H ILE 16 H ILE 16 6.280 3.138 -0.168 95 HA ILE 16 HA ILE 16 4.114 2.072 1.312 96 HB ILE 16 HB ILE 16 4.154 4.042 2.659 97 1HG1 ILE 16 1HG1 ILE 16 5.897 5.322 0.524 98 2HG1 ILE 16 2HG1 ILE 16 4.273 5.776 0.973 99 1HG2 ILE 16 1HG2 ILE 16 6.984 3.151 1.930 100 2HG2 ILE 16 2HG2 ILE 16 6.453 3.855 3.467 101 3HG2 ILE 16 3HG2 ILE 16 5.853 2.276 2.950 102 1HD1 ILE 16 1HD1 ILE 16 6.714 6.055 2.749 103 2HD1 ILE 16 2HD1 ILE 16 5.828 7.343 1.924 104 3HD1 ILE 16 3HD1 ILE 16 5.038 6.432 3.224 105 H ARG 17 H ARG 17 3.993 4.269 -1.459 106 HA ARG 17 HA ARG 17 1.355 5.184 -0.827 107 1HB ARG 17 1HB ARG 17 2.924 6.284 -2.404 108 2HB ARG 17 2HB ARG 17 2.686 4.954 -3.552 109 1HG ARG 17 1HG ARG 17 0.355 5.513 -3.826 110 2HG ARG 17 2HG ARG 17 0.404 6.699 -2.528 111 1HD ARG 17 1HD ARG 17 1.840 6.893 -5.201 112 2HD ARG 17 2HD ARG 17 0.400 7.798 -4.727 113 HE ARG 17 HE ARG 17 3.174 8.221 -3.931 114 1HH1 ARG 17 1HH1 ARG 17 -0.247 9.148 -3.236 115 2HH1 ARG 17 2HH1 ARG 17 0.230 10.462 -2.201 116 1HH2 ARG 17 1HH2 ARG 17 3.716 9.957 -2.433 117 2HH2 ARG 17 2HH2 ARG 17 2.419 10.947 -1.827 118 H PHE 18 H PHE 18 2.451 2.341 -2.319 119 HA PHE 18 HA PHE 18 -0.183 1.488 -3.173 120 1HB PHE 18 1HB PHE 18 2.023 0.809 -4.238 121 2HB PHE 18 2HB PHE 18 2.273 -0.283 -2.879 122 HD1 PHE 18 HD1 PHE 18 -0.303 0.598 -5.505 123 HD2 PHE 18 HD2 PHE 18 1.474 -2.521 -3.110 124 HE1 PHE 18 HE1 PHE 18 -1.741 -1.083 -6.614 125 HE2 PHE 18 HE2 PHE 18 -0.013 -4.182 -4.181 126 HZ PHE 18 HZ PHE 18 -1.622 -3.480 -5.944 127 H TYR 19 H TYR 19 0.806 1.881 -0.132 128 HA TYR 19 HA TYR 19 -0.869 -0.350 0.898 129 1HB TYR 19 1HB TYR 19 1.781 -0.297 1.355 130 2HB TYR 19 2HB TYR 19 1.259 0.739 2.680 131 HD1 TYR 19 HD1 TYR 19 -1.157 -0.354 3.758 132 HD2 TYR 19 HD2 TYR 19 2.129 -2.509 1.980 133 HE1 TYR 19 HE1 TYR 19 -1.880 -2.384 4.918 134 HE2 TYR 19 HE2 TYR 19 1.407 -4.575 3.143 135 HH TYR 19 HH TYR 19 -1.218 -4.555 5.543 136 H ASN 20 H ASN 20 0.386 3.006 1.428 137 HA ASN 20 HA ASN 20 -1.518 3.758 3.359 138 1HB ASN 20 1HB ASN 20 0.112 5.278 1.292 139 2HB ASN 20 2HB ASN 20 -1.112 6.109 2.246 140 1HD2 ASN 20 2HD2 ASN 20 2.008 6.108 2.261 141 2HD2 ASN 20 1HD2 ASN 20 2.286 6.083 4.012 142 H ASP 21 H ASP 21 -1.695 3.879 -0.276 143 HA ASP 21 HA ASP 21 -4.332 5.065 -0.249 144 1HB ASP 21 1HB ASP 21 -2.932 3.454 -2.383 145 2HB ASP 21 2HB ASP 21 -4.382 4.422 -2.619 146 H LEU 22 H LEU 22 -3.104 1.805 0.199 147 HA LEU 22 HA LEU 22 -5.467 0.409 -0.729 148 1HB LEU 22 1HB LEU 22 -3.227 -0.639 -0.644 149 2HB LEU 22 2HB LEU 22 -3.247 -0.538 1.117 150 HG LEU 22 HG LEU 22 -5.085 -2.095 1.291 151 1HD1 LEU 22 1HD1 LEU 22 -5.097 -2.087 -1.744 152 2HD1 LEU 22 2HD1 LEU 22 -6.428 -1.641 -0.659 153 3HD1 LEU 22 3HD1 LEU 22 -5.902 -3.319 -0.742 154 1HD2 LEU 22 1HD2 LEU 22 -3.897 -4.084 0.403 155 2HD2 LEU 22 2HD2 LEU 22 -2.796 -2.941 1.170 156 3HD2 LEU 22 3HD2 LEU 22 -2.872 -3.018 -0.597 157 H GLN 23 H GLN 23 -4.415 2.002 2.252 158 HA GLN 23 HA GLN 23 -6.427 0.887 3.996 159 1HB GLN 23 1HB GLN 23 -5.232 3.674 4.103 160 2HB GLN 23 2HB GLN 23 -5.976 2.801 5.434 161 1HG GLN 23 1HG GLN 23 -3.294 2.222 4.126 162 2HG GLN 23 2HG GLN 23 -3.569 2.944 5.695 163 1HE2 GLN 23 2HE2 GLN 23 -1.882 0.818 5.712 164 2HE2 GLN 23 1HE2 GLN 23 -2.695 -0.535 6.483 165 H GLN 24 H GLN 24 -6.321 3.745 1.837 166 HA GLN 24 HA GLN 24 -8.939 4.659 2.461 167 1HB GLN 24 1HB GLN 24 -7.103 5.125 0.096 168 2HB GLN 24 2HB GLN 24 -8.769 5.698 0.086 169 1HG GLN 24 1HG GLN 24 -7.305 7.483 0.849 170 2HG GLN 24 2HG GLN 24 -8.428 6.989 2.117 171 1HE2 GLN 24 2HE2 GLN 24 -5.020 7.083 1.133 172 2HE2 GLN 24 1HE2 GLN 24 -4.446 6.078 2.444 173 H TYR 25 H TYR 25 -7.787 2.314 0.020 174 HA TYR 25 HA TYR 25 -10.346 1.760 -1.202 175 1HB TYR 25 1HB TYR 25 -7.794 0.963 -1.687 176 2HB TYR 25 2HB TYR 25 -8.333 -0.432 -0.775 177 HD1 TYR 25 HD1 TYR 25 -9.114 1.706 -3.756 178 HD2 TYR 25 HD2 TYR 25 -9.556 -2.181 -1.931 179 HE1 TYR 25 HE1 TYR 25 -10.105 0.853 -5.841 180 HE2 TYR 25 HE2 TYR 25 -10.587 -3.035 -4.004 181 HH TYR 25 HH TYR 25 -11.255 -2.530 -6.204 182 H LEU 26 H LEU 26 -8.705 0.205 1.747 183 HA LEU 26 HA LEU 26 -11.013 -1.299 2.163 184 1HB LEU 26 1HB LEU 26 -8.883 -2.204 2.878 185 2HB LEU 26 2HB LEU 26 -8.335 -0.641 3.454 186 HG LEU 26 HG LEU 26 -9.816 -0.786 5.346 187 1HD1 LEU 26 1HD1 LEU 26 -11.368 -2.646 4.482 188 2HD1 LEU 26 2HD1 LEU 26 -10.659 -3.053 6.050 189 3HD1 LEU 26 3HD1 LEU 26 -10.003 -3.763 4.568 190 1HD2 LEU 26 1HD2 LEU 26 -7.683 -2.933 5.095 191 2HD2 LEU 26 2HD2 LEU 26 -8.368 -2.357 6.632 192 3HD2 LEU 26 3HD2 LEU 26 -7.469 -1.238 5.604 193 H ASN 27 H ASN 27 -10.577 1.987 2.753 194 HA ASN 27 HA ASN 27 -12.642 1.964 4.894 195 1HB ASN 27 1HB ASN 27 -10.446 3.222 5.082 196 2HB ASN 27 2HB ASN 27 -11.003 4.283 3.798 197 1HD2 ASN 27 2HD2 ASN 27 -11.431 6.234 4.904 198 2HD2 ASN 27 1HD2 ASN 27 -12.452 6.335 6.318 199 H VAL 28 H VAL 28 -12.269 2.699 1.588 200 HA VAL 28 HA VAL 28 -15.013 3.892 1.499 201 HB VAL 28 HB VAL 28 -12.690 4.288 -0.432 202 1HG1 VAL 28 1HG1 VAL 28 -14.801 4.695 -1.591 203 2HG1 VAL 28 2HG1 VAL 28 -15.377 5.714 -0.255 204 3HG1 VAL 28 3HG1 VAL 28 -14.013 6.233 -1.270 205 1HG2 VAL 28 1HG2 VAL 28 -13.744 6.108 1.778 206 2HG2 VAL 28 2HG2 VAL 28 -12.134 5.364 1.703 207 3HG2 VAL 28 3HG2 VAL 28 -12.567 6.595 0.534 208 H VAL 29 H VAL 29 -13.122 1.202 0.009 209 HA VAL 29 HA VAL 29 -15.196 0.819 -1.980 210 HB VAL 29 HB VAL 29 -12.648 -0.680 -1.266 211 1HG1 VAL 29 1HG1 VAL 29 -13.011 -1.928 -3.401 212 2HG1 VAL 29 2HG1 VAL 29 -14.235 -2.354 -2.209 213 3HG1 VAL 29 3HG1 VAL 29 -14.640 -1.241 -3.536 214 1HG2 VAL 29 1HG2 VAL 29 -12.045 0.257 -3.496 215 2HG2 VAL 29 2HG2 VAL 29 -13.578 1.105 -3.575 216 3HG2 VAL 29 3HG2 VAL 29 -12.380 1.526 -2.331 217 H THR 30 H THR 30 -14.088 -1.284 0.635 218 HA THR 30 HA THR 30 -16.313 -3.086 0.424 219 HB THR 30 HB THR 30 -15.214 -3.895 2.625 220 HG1 THR 30 HG1 THR 30 -13.802 -2.365 3.170 221 1HG2 THR 30 1HG2 THR 30 -15.011 -4.998 0.394 222 2HG2 THR 30 2HG2 THR 30 -13.507 -5.096 1.301 223 3HG2 THR 30 3HG2 THR 30 -13.689 -3.922 -0.029 224 H ARG 31 H ARG 31 -15.635 -0.210 2.357 225 HA ARG 31 HA ARG 31 -17.792 -0.438 4.119 226 1HB ARG 31 1HB ARG 31 -15.725 1.147 3.991 227 2HB ARG 31 2HB ARG 31 -16.735 2.195 3.010 228 1HG ARG 31 1HG ARG 31 -17.361 1.284 5.858 229 2HG ARG 31 2HG ARG 31 -16.468 2.744 5.446 230 1HD ARG 31 1HD ARG 31 -18.596 3.387 4.058 231 2HD ARG 31 2HD ARG 31 -19.399 2.164 5.079 232 HE ARG 31 HE ARG 31 -17.850 3.931 6.702 233 1HH1 ARG 31 1HH1 ARG 31 -20.956 3.812 4.917 234 2HH1 ARG 31 2HH1 ARG 31 -21.618 5.148 5.803 235 1HH2 ARG 31 1HH2 ARG 31 -18.778 5.570 7.870 236 2HH2 ARG 31 2HH2 ARG 31 -20.455 6.032 7.671 237 H HIS 32 H HIS 32 -17.852 0.051 0.832 238 HA HIS 32 HA HIS 32 -20.635 1.086 0.809 239 1HB HIS 32 1HB HIS 32 -18.308 1.766 -0.748 240 2HB HIS 32 2HB HIS 32 -19.498 1.101 -1.836 241 HD1 HIS 32 HD1 HIS 32 -21.717 2.521 -2.195 242 HD2 HIS 32 HD2 HIS 32 -19.161 3.866 0.871 243 HE1 HIS 32 HE1 HIS 32 -22.650 4.774 -1.424 244 H ARG 33 H ARG 33 -20.428 -1.306 1.768 245 HA ARG 33 HA ARG 33 -20.928 -3.483 1.658 246 1HB ARG 33 1HB ARG 33 -23.079 -4.007 0.607 247 2HB ARG 33 2HB ARG 33 -23.140 -2.557 1.602 248 1HG ARG 33 1HG ARG 33 -23.242 -1.103 -0.295 249 2HG ARG 33 2HG ARG 33 -22.740 -2.375 -1.414 250 1HD ARG 33 1HD ARG 33 -24.854 -3.627 -0.793 251 2HD ARG 33 2HD ARG 33 -25.375 -2.121 0.003 252 HE ARG 33 HE ARG 33 -24.438 -1.671 -2.700 253 1HH1 ARG 33 1HH1 ARG 33 -27.235 -2.992 -0.968 254 2HH1 ARG 33 2HH1 ARG 33 -28.374 -2.433 -2.159 255 1HH2 ARG 33 1HH2 ARG 33 -25.833 -1.214 -4.337 256 2HH2 ARG 33 2HH2 ARG 33 -27.540 -1.406 -4.200 257 H TYR 34 H TYR 34 -18.731 -3.594 0.550 258 HA TYR 34 HA TYR 34 -19.113 -5.201 -1.936 259 1HB TYR 34 1HB TYR 34 -18.082 -2.704 -1.935 260 2HB TYR 34 2HB TYR 34 -16.615 -3.591 -1.548 261 HD1 TYR 34 HD1 TYR 34 -15.345 -4.571 -3.301 262 HD2 TYR 34 HD2 TYR 34 -19.474 -3.450 -3.944 263 HE1 TYR 34 HE1 TYR 34 -15.061 -4.933 -5.711 264 HE2 TYR 34 HE2 TYR 34 -19.177 -3.761 -6.375 265 HH TYR 34 HH TYR 34 -16.186 -5.091 -7.744 266 1HN NH2 35 1H NH2 35 -17.118 -6.576 -2.349 267 2HN NH2 35 2H NH2 35 -16.334 -7.313 -0.955 268 3HM EAB 10 3HM AZT 10 14.039 -0.194 -2.012 269 2HM EAB 10 2HM AZT 10 15.368 0.730 -1.329 270 HL EAB 10 HL AZT 10 12.340 -1.294 -0.493 271 HK2 EAB 10 HK2 AZT 10 12.316 -2.904 1.381 272 HJ2 EAB 10 HJ2 AZT 10 14.144 -2.911 3.029 273 HG1 EAB 10 HG1 AZT 10 16.542 -4.140 5.210 274 HG2 EAB 10 HG2 AZT 10 20.005 -3.103 7.538 275 HD2 EAB 10 HD2 AZT 10 20.236 -0.996 6.220 276 HE EAB 10 HE AZT 10 18.578 -0.435 4.465 277 2HA EAB 10 2HA AZT 10 18.804 -5.093 8.036 278 3HA EAB 10 3HA AZT 10 18.198 -5.876 6.564 279 1HN EAB 10 H AZT 10 15.919 -5.097 7.185 280 HJ1 EAB 10 HJ1 AZT 10 16.070 0.333 0.897 Start of MODEL 17 1 1H GLY 1 H GLY 1 12.165 9.594 -11.130 2 1HA GLY 1 1HA GLY 1 14.057 8.298 -12.058 3 2HA GLY 1 2HA GLY 1 13.162 7.411 -10.823 4 HA PRO 2 HA PRO 2 13.030 4.180 -13.847 5 1HB PRO 2 1HB PRO 2 10.908 2.676 -12.806 6 2HB PRO 2 2HB PRO 2 12.594 2.626 -12.230 7 1HG PRO 2 1HG PRO 2 10.310 4.209 -11.113 8 2HG PRO 2 2HG PRO 2 11.530 3.242 -10.223 9 1HD PRO 2 1HD PRO 2 11.747 5.918 -10.433 10 2HD PRO 2 2HD PRO 2 13.212 4.904 -10.582 11 H SER 3 H SER 3 12.139 4.062 -15.821 12 HA SER 3 HA SER 3 9.407 5.141 -16.291 13 1HB SER 3 1HB SER 3 10.276 5.740 -18.510 14 2HB SER 3 2HB SER 3 11.226 6.488 -17.219 15 HG SER 3 HG SER 3 12.261 5.229 -19.111 16 H GLN 4 H GLN 4 10.924 2.157 -16.132 17 HA GLN 4 HA GLN 4 8.791 0.864 -17.559 18 1HB GLN 4 1HB GLN 4 10.135 -0.397 -19.195 19 2HB GLN 4 2HB GLN 4 9.926 1.289 -19.594 20 1HG GLN 4 1HG GLN 4 12.186 1.835 -19.121 21 2HG GLN 4 2HG GLN 4 12.471 0.349 -18.235 22 1HE2 GLN 4 2HE2 GLN 4 11.965 -1.790 -19.719 23 2HE2 GLN 4 1HE2 GLN 4 12.658 -1.673 -21.315 24 HA PRO 5 HA PRO 5 11.087 -1.389 -14.113 25 1HB PRO 5 1HB PRO 5 9.008 -1.707 -12.357 26 2HB PRO 5 2HB PRO 5 9.990 -0.211 -12.416 27 1HG PRO 5 1HG PRO 5 7.354 -0.753 -13.811 28 2HG PRO 5 2HG PRO 5 7.740 0.633 -12.770 29 1HD PRO 5 1HD PRO 5 7.927 0.848 -15.445 30 2HD PRO 5 2HD PRO 5 9.197 1.568 -14.410 31 H THR 6 H THR 6 10.976 -3.589 -13.698 32 HA THR 6 HA THR 6 8.798 -5.194 -14.897 33 HB THR 6 HB THR 6 11.623 -6.124 -15.164 34 HG1 THR 6 HG1 THR 6 11.922 -4.202 -15.978 35 1HG2 THR 6 1HG2 THR 6 9.704 -7.548 -15.893 36 2HG2 THR 6 2HG2 THR 6 10.773 -7.125 -17.244 37 3HG2 THR 6 3HG2 THR 6 9.218 -6.285 -17.043 38 H TYR 7 H TYR 7 8.856 -4.479 -12.397 39 HA TYR 7 HA TYR 7 9.231 -4.850 -10.186 40 1HB TYR 7 1HB TYR 7 7.169 -5.897 -10.779 41 2HB TYR 7 2HB TYR 7 7.984 -7.416 -11.158 42 HD1 TYR 7 HD1 TYR 7 7.116 -8.945 -9.592 43 HD2 TYR 7 HD2 TYR 7 8.472 -5.113 -8.200 44 HE1 TYR 7 HE1 TYR 7 6.634 -9.615 -7.252 45 HE2 TYR 7 HE2 TYR 7 8.052 -5.794 -5.855 46 HH TYR 7 HH TYR 7 6.324 -8.795 -5.124 47 HA PRO 8 HA PRO 8 13.110 -7.396 -10.219 48 1HB PRO 8 1HB PRO 8 14.891 -5.510 -9.362 49 2HB PRO 8 2HB PRO 8 14.388 -5.644 -11.075 50 1HG PRO 8 1HG PRO 8 13.263 -3.780 -8.959 51 2HG PRO 8 2HG PRO 8 13.859 -3.350 -10.585 52 1HD PRO 8 1HD PRO 8 11.213 -3.765 -10.069 53 2HD PRO 8 2HD PRO 8 11.946 -4.288 -11.619 54 H GLY 9 H GLY 9 14.494 -7.809 -8.236 55 1HA GLY 9 1HA GLY 9 13.450 -6.917 -5.631 56 2HA GLY 9 2HA GLY 9 13.366 -8.646 -6.052 57 HA PRO 11 HA PRO 11 13.099 2.844 -0.456 58 1HB PRO 11 1HB PRO 11 10.814 2.131 -1.771 59 2HB PRO 11 2HB PRO 11 12.352 2.432 -2.638 60 1HG PRO 11 1HG PRO 11 11.120 -0.222 -1.867 61 2HG PRO 11 2HG PRO 11 11.930 0.250 -3.394 62 1HD PRO 11 1HD PRO 11 13.171 -1.142 -1.335 63 2HD PRO 11 2HD PRO 11 14.042 -0.094 -2.497 64 H VAL 12 H VAL 12 11.813 3.433 1.442 65 HA VAL 12 HA VAL 12 10.098 1.361 2.593 66 HB VAL 12 HB VAL 12 10.940 2.893 4.650 67 1HG1 VAL 12 1HG1 VAL 12 12.145 0.880 5.455 68 2HG1 VAL 12 2HG1 VAL 12 10.654 0.418 4.623 69 3HG1 VAL 12 3HG1 VAL 12 12.221 0.268 3.791 70 1HG2 VAL 12 1HG2 VAL 12 13.543 2.362 3.244 71 2HG2 VAL 12 2HG2 VAL 12 12.790 3.963 3.507 72 3HG2 VAL 12 3HG2 VAL 12 13.308 2.988 4.884 73 H GLU 13 H GLU 13 11.098 4.843 2.773 74 HA GLU 13 HA GLU 13 8.540 5.749 3.446 75 1HB GLU 13 1HB GLU 13 11.033 6.762 3.426 76 2HB GLU 13 2HB GLU 13 10.510 7.456 1.888 77 1HG GLU 13 1HG GLU 13 8.673 8.595 3.000 78 2HG GLU 13 2HG GLU 13 8.991 7.755 4.516 79 H ASP 14 H ASP 14 10.047 5.188 0.321 80 HA ASP 14 HA ASP 14 7.887 6.274 -1.301 81 1HB ASP 14 1HB ASP 14 10.218 4.415 -1.956 82 2HB ASP 14 2HB ASP 14 9.145 5.141 -3.154 83 H LEU 15 H LEU 15 8.592 3.190 0.182 84 HA LEU 15 HA LEU 15 6.854 1.599 -1.571 85 1HB LEU 15 1HB LEU 15 8.967 0.710 -0.754 86 2HB LEU 15 2HB LEU 15 8.491 0.938 0.916 87 HG LEU 15 HG LEU 15 6.622 -0.704 -0.761 88 1HD1 LEU 15 1HD1 LEU 15 8.024 -2.738 -0.535 89 2HD1 LEU 15 2HD1 LEU 15 9.371 -1.720 0.030 90 3HD1 LEU 15 3HD1 LEU 15 8.728 -1.524 -1.614 91 1HD2 LEU 15 1HD2 LEU 15 6.678 -2.125 1.354 92 2HD2 LEU 15 2HD2 LEU 15 6.105 -0.478 1.599 93 3HD2 LEU 15 3HD2 LEU 15 7.762 -0.922 2.055 94 H ILE 16 H ILE 16 6.862 2.621 1.910 95 HA ILE 16 HA ILE 16 4.381 1.384 2.498 96 HB ILE 16 HB ILE 16 4.323 2.781 4.489 97 1HG1 ILE 16 1HG1 ILE 16 6.434 4.415 3.060 98 2HG1 ILE 16 2HG1 ILE 16 4.928 4.929 3.779 99 1HG2 ILE 16 1HG2 ILE 16 7.143 1.752 3.983 100 2HG2 ILE 16 2HG2 ILE 16 6.302 1.929 5.541 101 3HG2 ILE 16 3HG2 ILE 16 5.736 0.747 4.358 102 1HD1 ILE 16 1HD1 ILE 16 5.862 4.508 6.034 103 2HD1 ILE 16 2HD1 ILE 16 7.413 4.033 5.285 104 3HD1 ILE 16 3HD1 ILE 16 6.815 5.679 5.086 105 H ARG 17 H ARG 17 5.033 4.498 0.915 106 HA ARG 17 HA ARG 17 2.282 5.362 1.305 107 1HB ARG 17 1HB ARG 17 2.873 7.306 0.104 108 2HB ARG 17 2HB ARG 17 4.274 6.891 1.069 109 1HG ARG 17 1HG ARG 17 5.307 5.826 -0.949 110 2HG ARG 17 2HG ARG 17 3.899 6.292 -1.922 111 1HD ARG 17 1HD ARG 17 5.681 7.830 -2.319 112 2HD ARG 17 2HD ARG 17 4.384 8.672 -1.483 113 HE ARG 17 HE ARG 17 5.990 7.887 0.595 114 1HH1 ARG 17 1HH1 ARG 17 7.168 9.129 -2.495 115 2HH1 ARG 17 2HH1 ARG 17 8.386 10.106 -1.816 116 1HH2 ARG 17 1HH2 ARG 17 7.527 9.194 1.537 117 2HH2 ARG 17 2HH2 ARG 17 8.694 10.041 0.519 118 H PHE 18 H PHE 18 3.908 3.605 -1.097 119 HA PHE 18 HA PHE 18 1.795 3.671 -3.051 120 1HB PHE 18 1HB PHE 18 4.133 3.073 -3.631 121 2HB PHE 18 2HB PHE 18 4.009 1.609 -2.669 122 HD1 PHE 18 HD1 PHE 18 1.889 3.215 -5.384 123 HD2 PHE 18 HD2 PHE 18 3.952 -0.301 -4.019 124 HE1 PHE 18 HE1 PHE 18 0.978 1.962 -7.288 125 HE2 PHE 18 HE2 PHE 18 3.001 -1.580 -5.923 126 HZ PHE 18 HZ PHE 18 1.497 -0.468 -7.550 127 H TYR 19 H TYR 19 2.388 1.776 -0.195 128 HA TYR 19 HA TYR 19 0.219 -0.130 -0.715 129 1HB TYR 19 1HB TYR 19 2.525 -0.448 0.512 130 2HB TYR 19 2HB TYR 19 1.707 0.229 1.897 131 HD1 TYR 19 HD1 TYR 19 0.428 -1.212 3.296 132 HD2 TYR 19 HD2 TYR 19 1.276 -2.420 -0.752 133 HE1 TYR 19 HE1 TYR 19 -0.379 -3.502 3.798 134 HE2 TYR 19 HE2 TYR 19 0.351 -4.658 -0.292 135 HH TYR 19 HH TYR 19 -0.539 -6.056 1.336 136 H ASN 20 H ASN 20 0.841 2.671 1.405 137 HA ASN 20 HA ASN 20 -1.517 2.390 2.999 138 1HB ASN 20 1HB ASN 20 0.432 4.623 2.504 139 2HB ASN 20 2HB ASN 20 -1.154 5.060 3.103 140 1HD2 ASN 20 2HD2 ASN 20 1.601 2.925 3.804 141 2HD2 ASN 20 1HD2 ASN 20 1.139 2.584 5.466 142 H ASP 21 H ASP 21 -1.078 3.811 -0.229 143 HA ASP 21 HA ASP 21 -3.643 5.092 -0.201 144 1HB ASP 21 1HB ASP 21 -1.785 4.266 -2.435 145 2HB ASP 21 2HB ASP 21 -3.369 4.972 -2.750 146 H LEU 22 H LEU 22 -2.813 1.742 -0.383 147 HA LEU 22 HA LEU 22 -5.235 0.852 -1.717 148 1HB LEU 22 1HB LEU 22 -3.460 -0.761 0.141 149 2HB LEU 22 2HB LEU 22 -4.599 -1.361 -1.050 150 HG LEU 22 HG LEU 22 -2.016 0.122 -1.716 151 1HD1 LEU 22 1HD1 LEU 22 -1.590 -2.055 -0.742 152 2HD1 LEU 22 2HD1 LEU 22 -1.294 -2.153 -2.486 153 3HD1 LEU 22 3HD1 LEU 22 -2.788 -2.819 -1.785 154 1HD2 LEU 22 1HD2 LEU 22 -2.432 -0.617 -4.030 155 2HD2 LEU 22 2HD2 LEU 22 -3.702 0.462 -3.466 156 3HD2 LEU 22 3HD2 LEU 22 -4.020 -1.276 -3.551 157 H GLN 23 H GLN 23 -4.544 2.065 1.445 158 HA GLN 23 HA GLN 23 -6.418 0.521 3.053 159 1HB GLN 23 1HB GLN 23 -5.415 3.380 3.359 160 2HB GLN 23 2HB GLN 23 -6.250 2.459 4.598 161 1HG GLN 23 1HG GLN 23 -3.649 1.383 3.430 162 2HG GLN 23 2HG GLN 23 -3.643 2.638 4.649 163 1HE2 GLN 23 2HE2 GLN 23 -4.947 -0.771 4.088 164 2HE2 GLN 23 1HE2 GLN 23 -4.802 -1.105 5.819 165 H GLN 24 H GLN 24 -6.659 3.213 0.805 166 HA GLN 24 HA GLN 24 -9.221 4.191 1.454 167 1HB GLN 24 1HB GLN 24 -7.730 3.955 -1.192 168 2HB GLN 24 2HB GLN 24 -9.243 4.823 -1.002 169 1HG GLN 24 1HG GLN 24 -6.713 5.477 0.580 170 2HG GLN 24 2HG GLN 24 -7.202 6.285 -0.912 171 1HE2 GLN 24 2HE2 GLN 24 -7.452 6.529 2.485 172 2HE2 GLN 24 1HE2 GLN 24 -9.042 7.296 2.560 173 H TYR 25 H TYR 25 -8.230 1.371 -0.580 174 HA TYR 25 HA TYR 25 -10.872 0.809 -1.543 175 1HB TYR 25 1HB TYR 25 -8.589 -0.132 -2.331 176 2HB TYR 25 2HB TYR 25 -8.714 -1.274 -1.004 177 HD1 TYR 25 HD1 TYR 25 -10.771 0.140 -3.796 178 HD2 TYR 25 HD2 TYR 25 -9.765 -3.384 -1.534 179 HE1 TYR 25 HE1 TYR 25 -12.108 -1.221 -5.359 180 HE2 TYR 25 HE2 TYR 25 -11.202 -4.752 -3.046 181 HH TYR 25 HH TYR 25 -12.692 -3.362 -5.986 182 H LEU 26 H LEU 26 -9.079 -0.727 1.207 183 HA LEU 26 HA LEU 26 -11.390 -2.040 2.102 184 1HB LEU 26 1HB LEU 26 -9.599 -3.016 3.186 185 2HB LEU 26 2HB LEU 26 -8.607 -1.610 2.924 186 HG LEU 26 HG LEU 26 -9.756 -0.582 5.004 187 1HD1 LEU 26 1HD1 LEU 26 -10.136 -3.567 5.617 188 2HD1 LEU 26 2HD1 LEU 26 -11.486 -2.497 5.246 189 3HD1 LEU 26 3HD1 LEU 26 -10.503 -2.203 6.692 190 1HD2 LEU 26 1HD2 LEU 26 -7.811 -2.883 5.274 191 2HD2 LEU 26 2HD2 LEU 26 -8.093 -1.595 6.464 192 3HD2 LEU 26 3HD2 LEU 26 -7.411 -1.193 4.880 193 H ASN 27 H ASN 27 -10.666 1.331 2.488 194 HA ASN 27 HA ASN 27 -12.637 1.617 4.682 195 1HB ASN 27 1HB ASN 27 -10.340 2.798 4.484 196 2HB ASN 27 2HB ASN 27 -11.048 3.755 3.179 197 1HD2 ASN 27 2HD2 ASN 27 -11.282 5.808 4.129 198 2HD2 ASN 27 1HD2 ASN 27 -11.887 6.076 5.729 199 H VAL 28 H VAL 28 -12.507 2.292 1.230 200 HA VAL 28 HA VAL 28 -15.110 3.698 1.355 201 HB VAL 28 HB VAL 28 -13.077 3.255 -0.866 202 1HG1 VAL 28 1HG1 VAL 28 -15.268 3.489 -1.913 203 2HG1 VAL 28 2HG1 VAL 28 -15.596 4.941 -0.945 204 3HG1 VAL 28 3HG1 VAL 28 -14.310 4.950 -2.162 205 1HG2 VAL 28 1HG2 VAL 28 -12.310 4.845 0.902 206 2HG2 VAL 28 2HG2 VAL 28 -12.643 5.691 -0.607 207 3HG2 VAL 28 3HG2 VAL 28 -13.812 5.762 0.728 208 H VAL 29 H VAL 29 -13.705 0.533 0.314 209 HA VAL 29 HA VAL 29 -16.063 -0.191 -1.167 210 HB VAL 29 HB VAL 29 -13.512 -1.177 -0.990 211 1HG1 VAL 29 1HG1 VAL 29 -15.092 -3.292 0.457 212 2HG1 VAL 29 2HG1 VAL 29 -13.505 -3.473 -0.292 213 3HG1 VAL 29 3HG1 VAL 29 -13.692 -2.368 1.072 214 1HG2 VAL 29 1HG2 VAL 29 -15.072 -1.441 -2.870 215 2HG2 VAL 29 2HG2 VAL 29 -14.265 -2.970 -2.496 216 3HG2 VAL 29 3HG2 VAL 29 -15.946 -2.700 -1.973 217 H THR 30 H THR 30 -14.951 -0.940 2.101 218 HA THR 30 HA THR 30 -17.151 -2.417 2.925 219 HB THR 30 HB THR 30 -16.435 -1.731 5.150 220 HG1 THR 30 HG1 THR 30 -14.114 -0.593 4.618 221 1HG2 THR 30 1HG2 THR 30 -14.246 -2.857 5.100 222 2HG2 THR 30 2HG2 THR 30 -14.159 -2.641 3.341 223 3HG2 THR 30 3HG2 THR 30 -15.411 -3.669 4.049 224 H ARG 31 H ARG 31 -16.726 1.084 2.893 225 HA ARG 31 HA ARG 31 -19.023 1.796 4.268 226 1HB ARG 31 1HB ARG 31 -17.400 3.123 2.098 227 2HB ARG 31 2HB ARG 31 -18.923 3.874 2.514 228 1HG ARG 31 1HG ARG 31 -16.824 3.197 4.611 229 2HG ARG 31 2HG ARG 31 -16.872 4.742 3.723 230 1HD ARG 31 1HD ARG 31 -19.232 5.050 4.473 231 2HD ARG 31 2HD ARG 31 -19.072 3.591 5.482 232 HE ARG 31 HE ARG 31 -16.968 5.222 6.217 233 1HH1 ARG 31 1HH1 ARG 31 -20.511 5.532 6.072 234 2HH1 ARG 31 2HH1 ARG 31 -20.605 6.604 7.453 235 1HH2 ARG 31 1HH2 ARG 31 -17.149 6.632 8.127 236 2HH2 ARG 31 2HH2 ARG 31 -18.703 7.276 8.555 237 H HIS 32 H HIS 32 -19.021 0.268 1.311 238 HA HIS 32 HA HIS 32 -21.954 0.451 1.069 239 1HB HIS 32 1HB HIS 32 -19.695 1.225 -0.798 240 2HB HIS 32 2HB HIS 32 -21.078 0.521 -1.518 241 HD1 HIS 32 HD1 HIS 32 -23.554 1.986 -0.663 242 HD2 HIS 32 HD2 HIS 32 -19.741 3.775 -0.386 243 HE1 HIS 32 HE1 HIS 32 -23.957 4.417 -0.524 244 H ARG 33 H ARG 33 -19.531 -1.599 1.623 245 HA ARG 33 HA ARG 33 -21.016 -3.858 0.557 246 1HB ARG 33 1HB ARG 33 -19.329 -2.713 -1.285 247 2HB ARG 33 2HB ARG 33 -18.193 -3.811 -0.536 248 1HG ARG 33 1HG ARG 33 -19.771 -5.716 -1.069 249 2HG ARG 33 2HG ARG 33 -20.881 -4.532 -1.794 250 1HD ARG 33 1HD ARG 33 -19.086 -3.864 -3.400 251 2HD ARG 33 2HD ARG 33 -18.041 -5.119 -2.715 252 HE ARG 33 HE ARG 33 -20.613 -6.131 -3.608 253 1HH1 ARG 33 1HH1 ARG 33 -17.406 -5.183 -4.833 254 2HH1 ARG 33 2HH1 ARG 33 -17.472 -6.304 -6.171 255 1HH2 ARG 33 1HH2 ARG 33 -20.723 -7.425 -5.466 256 2HH2 ARG 33 2HH2 ARG 33 -19.352 -7.569 -6.537 257 H TYR 34 H TYR 34 -19.847 -3.053 3.245 258 HA TYR 34 HA TYR 34 -17.727 -4.859 3.876 259 1HB TYR 34 1HB TYR 34 -18.434 -2.912 5.286 260 2HB TYR 34 2HB TYR 34 -19.920 -3.763 5.673 261 HD1 TYR 34 HD1 TYR 34 -19.785 -4.163 7.991 262 HD2 TYR 34 HD2 TYR 34 -16.320 -5.031 5.556 263 HE1 TYR 34 HE1 TYR 34 -18.607 -5.053 9.968 264 HE2 TYR 34 HE2 TYR 34 -15.165 -5.945 7.491 265 HH TYR 34 HH TYR 34 -15.273 -6.397 9.752 266 1HN NH2 35 1H NH2 35 -18.030 -6.879 5.355 267 2HN NH2 35 2H NH2 35 -19.317 -7.936 4.801 268 3HM EAB 10 3HM AZT 10 15.878 -0.592 -1.067 269 2HM EAB 10 2HM AZT 10 16.591 -0.125 0.475 270 HL EAB 10 HL AZT 10 13.621 -0.813 1.891 271 HK2 EAB 10 HK2 AZT 10 13.021 -2.948 2.956 272 HJ2 EAB 10 HJ2 AZT 10 14.168 -5.046 2.345 273 HG1 EAB 10 HG1 AZT 10 16.467 -6.333 -3.017 274 HG2 EAB 10 HG2 AZT 10 17.949 -10.323 -2.295 275 HD2 EAB 10 HD2 AZT 10 18.080 -9.829 0.133 276 HE EAB 10 HE AZT 10 17.357 -7.621 0.993 277 2HA EAB 10 2HA AZT 10 17.371 -9.679 -4.494 278 3HA EAB 10 3HA AZT 10 17.748 -7.972 -4.814 279 1HN EAB 10 H AZT 10 14.943 -8.748 -4.135 280 HJ1 EAB 10 HJ1 AZT 10 16.568 -2.892 -0.513 Start of MODEL 18 1 1H GLY 1 H GLY 1 15.410 -8.615 -17.698 2 1HA GLY 1 1HA GLY 1 15.940 -6.363 -18.492 3 2HA GLY 1 2HA GLY 1 14.401 -6.936 -19.134 4 HA PRO 2 HA PRO 2 13.451 -2.895 -17.264 5 1HB PRO 2 1HB PRO 2 11.442 -2.150 -18.939 6 2HB PRO 2 2HB PRO 2 13.170 -2.095 -19.412 7 1HG PRO 2 1HG PRO 2 11.142 -4.281 -19.991 8 2HG PRO 2 2HG PRO 2 12.257 -3.466 -21.142 9 1HD PRO 2 1HD PRO 2 12.853 -5.864 -19.996 10 2HD PRO 2 2HD PRO 2 14.121 -4.644 -20.314 11 H SER 3 H SER 3 11.653 -5.773 -17.287 12 HA SER 3 HA SER 3 9.107 -4.951 -16.320 13 1HB SER 3 1HB SER 3 9.451 -7.103 -17.301 14 2HB SER 3 2HB SER 3 10.751 -7.510 -16.170 15 HG SER 3 HG SER 3 8.212 -8.059 -15.991 16 H GLN 4 H GLN 4 11.832 -6.435 -14.509 17 HA GLN 4 HA GLN 4 11.244 -4.722 -12.171 18 1HB GLN 4 1HB GLN 4 11.521 -6.745 -10.721 19 2HB GLN 4 2HB GLN 4 10.035 -6.691 -11.654 20 1HG GLN 4 1HG GLN 4 10.930 -8.309 -13.279 21 2HG GLN 4 2HG GLN 4 12.465 -8.349 -12.419 22 1HE2 GLN 4 2HE2 GLN 4 10.563 -10.565 -13.005 23 2HE2 GLN 4 1HE2 GLN 4 10.255 -11.297 -11.442 24 HA PRO 5 HA PRO 5 15.784 -5.121 -13.285 25 1HB PRO 5 1HB PRO 5 16.402 -2.519 -13.785 26 2HB PRO 5 2HB PRO 5 15.707 -3.583 -15.029 27 1HG PRO 5 1HG PRO 5 14.286 -1.526 -13.341 28 2HG PRO 5 2HG PRO 5 14.093 -1.877 -15.081 29 1HD PRO 5 1HD PRO 5 12.417 -2.836 -13.067 30 2HD PRO 5 2HD PRO 5 12.670 -3.648 -14.637 31 H THR 6 H THR 6 16.005 -5.702 -11.085 32 HA THR 6 HA THR 6 15.358 -3.941 -8.924 33 HB THR 6 HB THR 6 16.652 -5.692 -7.609 34 HG1 THR 6 HG1 THR 6 16.664 -7.637 -9.324 35 1HG2 THR 6 1HG2 THR 6 14.196 -5.822 -8.017 36 2HG2 THR 6 2HG2 THR 6 14.957 -7.425 -7.932 37 3HG2 THR 6 3HG2 THR 6 14.493 -6.747 -9.498 38 H TYR 7 H TYR 7 16.844 -2.950 -7.418 39 HA TYR 7 HA TYR 7 19.515 -2.321 -8.548 40 1HB TYR 7 1HB TYR 7 17.933 -0.642 -9.382 41 2HB TYR 7 2HB TYR 7 17.402 -0.291 -7.744 42 HD1 TYR 7 HD1 TYR 7 18.298 1.708 -6.848 43 HD2 TYR 7 HD2 TYR 7 20.668 -0.606 -9.619 44 HE1 TYR 7 HE1 TYR 7 20.150 3.310 -6.586 45 HE2 TYR 7 HE2 TYR 7 22.527 0.994 -9.353 46 HH TYR 7 HH TYR 7 22.388 3.757 -7.071 47 HA PRO 8 HA PRO 8 19.460 -3.220 -3.961 48 1HB PRO 8 1HB PRO 8 21.330 -5.205 -3.897 49 2HB PRO 8 2HB PRO 8 19.613 -5.517 -4.305 50 1HG PRO 8 1HG PRO 8 21.936 -5.136 -6.221 51 2HG PRO 8 2HG PRO 8 20.695 -6.430 -6.227 52 1HD PRO 8 1HD PRO 8 20.482 -4.197 -7.796 53 2HD PRO 8 2HD PRO 8 19.051 -4.977 -7.070 54 H GLY 9 H GLY 9 20.886 -2.184 -2.593 55 1HA GLY 9 1HA GLY 9 23.698 -1.660 -3.320 56 2HA GLY 9 2HA GLY 9 22.630 -0.261 -3.302 57 HA PRO 11 HA PRO 11 11.598 5.164 -2.920 58 1HB PRO 11 1HB PRO 11 9.533 3.352 -2.873 59 2HB PRO 11 2HB PRO 11 10.819 3.359 -4.117 60 1HG PRO 11 1HG PRO 11 10.633 1.616 -1.649 61 2HG PRO 11 2HG PRO 11 11.031 1.126 -3.326 62 1HD PRO 11 1HD PRO 11 12.954 1.602 -1.432 63 2HD PRO 11 2HD PRO 11 13.215 1.988 -3.159 64 H VAL 12 H VAL 12 10.252 6.565 -1.614 65 HA VAL 12 HA VAL 12 9.399 5.519 0.981 66 HB VAL 12 HB VAL 12 9.852 8.226 1.281 67 1HG1 VAL 12 1HG1 VAL 12 11.361 7.504 3.054 68 2HG1 VAL 12 2HG1 VAL 12 10.096 6.292 2.924 69 3HG1 VAL 12 3HG1 VAL 12 11.696 5.971 2.204 70 1HG2 VAL 12 1HG2 VAL 12 11.443 8.305 -0.609 71 2HG2 VAL 12 2HG2 VAL 12 12.158 8.730 0.945 72 3HG2 VAL 12 3HG2 VAL 12 12.473 7.136 0.245 73 H GLU 13 H GLU 13 9.005 8.368 -1.294 74 HA GLU 13 HA GLU 13 6.394 8.868 -0.542 75 1HB GLU 13 1HB GLU 13 7.480 10.447 -1.937 76 2HB GLU 13 2HB GLU 13 7.921 9.233 -3.152 77 1HG GLU 13 1HG GLU 13 5.643 9.030 -3.920 78 2HG GLU 13 2HG GLU 13 5.048 10.011 -2.583 79 H ASP 14 H ASP 14 7.439 6.674 -3.161 80 HA ASP 14 HA ASP 14 4.764 5.843 -3.833 81 1HB ASP 14 1HB ASP 14 6.817 5.713 -5.287 82 2HB ASP 14 2HB ASP 14 7.376 4.356 -4.306 83 H LEU 15 H LEU 15 7.190 4.633 -1.580 84 HA LEU 15 HA LEU 15 6.012 2.083 -1.069 85 1HB LEU 15 1HB LEU 15 8.346 2.711 -0.464 86 2HB LEU 15 2HB LEU 15 7.724 3.874 0.708 87 HG LEU 15 HG LEU 15 6.577 1.928 1.907 88 1HD1 LEU 15 1HD1 LEU 15 6.627 0.267 0.086 89 2HD1 LEU 15 2HD1 LEU 15 7.543 -0.317 1.476 90 3HD1 LEU 15 3HD1 LEU 15 8.406 0.325 0.062 91 1HD2 LEU 15 1HD2 LEU 15 8.551 2.921 2.818 92 2HD2 LEU 15 2HD2 LEU 15 9.592 2.095 1.645 93 3HD2 LEU 15 3HD2 LEU 15 8.743 1.159 2.897 94 H ILE 16 H ILE 16 5.762 5.250 0.688 95 HA ILE 16 HA ILE 16 3.782 4.167 2.470 96 HB ILE 16 HB ILE 16 3.476 6.380 3.294 97 1HG1 ILE 16 1HG1 ILE 16 5.108 7.431 0.965 98 2HG1 ILE 16 2HG1 ILE 16 3.384 7.690 1.223 99 1HG2 ILE 16 1HG2 ILE 16 6.452 6.081 2.706 100 2HG2 ILE 16 2HG2 ILE 16 5.666 6.728 4.156 101 3HG2 ILE 16 3HG2 ILE 16 5.569 5.003 3.788 102 1HD1 ILE 16 1HD1 ILE 16 4.609 9.655 1.860 103 2HD1 ILE 16 2HD1 ILE 16 3.902 8.925 3.319 104 3HD1 ILE 16 3HD1 ILE 16 5.643 8.745 2.968 105 H ARG 17 H ARG 17 3.598 5.881 -0.667 106 HA ARG 17 HA ARG 17 0.785 6.166 -0.631 107 1HB ARG 17 1HB ARG 17 2.092 7.509 -2.087 108 2HB ARG 17 2HB ARG 17 2.885 6.120 -2.813 109 1HG ARG 17 1HG ARG 17 -0.077 6.462 -3.172 110 2HG ARG 17 2HG ARG 17 1.032 7.455 -4.112 111 1HD ARG 17 1HD ARG 17 1.802 5.735 -5.410 112 2HD ARG 17 2HD ARG 17 1.697 4.545 -4.120 113 HE ARG 17 HE ARG 17 -0.413 3.981 -4.729 114 1HH1 ARG 17 1HH1 ARG 17 0.316 7.022 -6.451 115 2HH1 ARG 17 2HH1 ARG 17 -1.310 7.168 -7.063 116 1HH2 ARG 17 1HH2 ARG 17 -2.348 4.097 -5.642 117 2HH2 ARG 17 2HH2 ARG 17 -2.824 5.337 -6.795 118 H PHE 18 H PHE 18 2.692 3.503 -1.526 119 HA PHE 18 HA PHE 18 0.452 2.035 -2.649 120 1HB PHE 18 1HB PHE 18 2.780 1.723 -3.442 121 2HB PHE 18 2HB PHE 18 3.174 0.944 -1.912 122 HD1 PHE 18 HD1 PHE 18 0.026 0.473 -4.010 123 HD2 PHE 18 HD2 PHE 18 3.740 -1.242 -2.623 124 HE1 PHE 18 HE1 PHE 18 -0.612 -1.681 -4.976 125 HE2 PHE 18 HE2 PHE 18 3.093 -3.418 -3.623 126 HZ PHE 18 HZ PHE 18 0.910 -3.650 -4.799 127 H TYR 19 H TYR 19 1.349 2.635 0.527 128 HA TYR 19 HA TYR 19 0.045 0.132 1.514 129 1HB TYR 19 1HB TYR 19 2.309 1.150 2.490 130 2HB TYR 19 2HB TYR 19 1.194 2.153 3.413 131 HD1 TYR 19 HD1 TYR 19 -0.299 1.099 5.137 132 HD2 TYR 19 HD2 TYR 19 2.273 -1.310 2.640 133 HE1 TYR 19 HE1 TYR 19 -0.766 -0.873 6.552 134 HE2 TYR 19 HE2 TYR 19 1.808 -3.272 4.046 135 HH TYR 19 HH TYR 19 -0.496 -3.275 6.763 136 H ASN 20 H ASN 20 -0.072 3.675 1.419 137 HA ASN 20 HA ASN 20 -2.404 4.154 2.949 138 1HB ASN 20 1HB ASN 20 -1.115 5.643 0.615 139 2HB ASN 20 2HB ASN 20 -2.546 6.221 1.437 140 1HD2 ASN 20 2HD2 ASN 20 -0.091 7.609 1.262 141 2HD2 ASN 20 1HD2 ASN 20 0.362 7.978 2.885 142 H ASP 21 H ASP 21 -1.981 3.842 -0.643 143 HA ASP 21 HA ASP 21 -4.745 4.084 -1.189 144 1HB ASP 21 1HB ASP 21 -4.252 3.480 -3.408 145 2HB ASP 21 2HB ASP 21 -3.027 4.590 -2.828 146 H LEU 22 H LEU 22 -2.750 1.244 -0.632 147 HA LEU 22 HA LEU 22 -4.647 -0.725 -1.228 148 1HB LEU 22 1HB LEU 22 -2.256 -1.132 -1.003 149 2HB LEU 22 2HB LEU 22 -2.310 -0.733 0.711 150 HG LEU 22 HG LEU 22 -3.746 -2.731 1.125 151 1HD1 LEU 22 1HD1 LEU 22 -4.767 -2.987 -1.150 152 2HD1 LEU 22 2HD1 LEU 22 -3.942 -4.466 -0.647 153 3HD1 LEU 22 3HD1 LEU 22 -3.166 -3.375 -1.807 154 1HD2 LEU 22 1HD2 LEU 22 -1.165 -3.357 -0.352 155 2HD2 LEU 22 2HD2 LEU 22 -1.969 -4.385 0.851 156 3HD2 LEU 22 3HD2 LEU 22 -1.278 -2.833 1.347 157 H GLN 23 H GLN 23 -4.241 1.170 1.754 158 HA GLN 23 HA GLN 23 -6.319 -0.489 3.083 159 1HB GLN 23 1HB GLN 23 -5.937 0.751 5.084 160 2HB GLN 23 2HB GLN 23 -4.415 0.133 4.471 161 1HG GLN 23 1HG GLN 23 -3.778 2.359 3.673 162 2HG GLN 23 2HG GLN 23 -5.347 3.018 4.119 163 1HE2 GLN 23 2HE2 GLN 23 -5.961 3.056 6.384 164 2HE2 GLN 23 1HE2 GLN 23 -4.689 3.315 7.567 165 H GLN 24 H GLN 24 -5.915 2.825 1.796 166 HA GLN 24 HA GLN 24 -8.328 3.880 2.718 167 1HB GLN 24 1HB GLN 24 -6.436 5.133 1.687 168 2HB GLN 24 2HB GLN 24 -6.924 4.530 0.096 169 1HG GLN 24 1HG GLN 24 -9.079 5.698 0.292 170 2HG GLN 24 2HG GLN 24 -8.719 6.145 1.958 171 1HE2 GLN 24 2HE2 GLN 24 -7.735 6.719 -1.458 172 2HE2 GLN 24 1HE2 GLN 24 -7.013 8.284 -1.129 173 H TYR 25 H TYR 25 -7.673 2.051 -0.302 174 HA TYR 25 HA TYR 25 -10.418 2.289 -1.250 175 1HB TYR 25 1HB TYR 25 -8.231 1.616 -2.533 176 2HB TYR 25 2HB TYR 25 -8.645 -0.022 -2.025 177 HD1 TYR 25 HD1 TYR 25 -10.131 3.093 -3.528 178 HD2 TYR 25 HD2 TYR 25 -10.184 -1.230 -3.470 179 HE1 TYR 25 HE1 TYR 25 -11.872 3.106 -5.265 180 HE2 TYR 25 HE2 TYR 25 -11.911 -1.221 -5.238 181 HH TYR 25 HH TYR 25 -13.327 1.861 -6.466 182 H LEU 26 H LEU 26 -8.743 -0.430 0.551 183 HA LEU 26 HA LEU 26 -11.126 -1.796 0.854 184 1HB LEU 26 1HB LEU 26 -9.273 -3.160 1.223 185 2HB LEU 26 2HB LEU 26 -8.309 -1.824 1.789 186 HG LEU 26 HG LEU 26 -9.476 -2.008 4.021 187 1HD1 LEU 26 1HD1 LEU 26 -11.242 -3.754 3.217 188 2HD1 LEU 26 2HD1 LEU 26 -10.328 -4.229 4.648 189 3HD1 LEU 26 3HD1 LEU 26 -9.918 -4.897 3.055 190 1HD2 LEU 26 1HD2 LEU 26 -7.123 -2.616 3.605 191 2HD2 LEU 26 2HD2 LEU 26 -7.656 -4.290 3.237 192 3HD2 LEU 26 3HD2 LEU 26 -7.899 -3.596 4.844 193 H ASN 27 H ASN 27 -10.551 1.174 2.262 194 HA ASN 27 HA ASN 27 -12.263 0.553 4.654 195 1HB ASN 27 1HB ASN 27 -10.020 1.565 5.029 196 2HB ASN 27 2HB ASN 27 -10.498 2.956 4.057 197 1HD2 ASN 27 2HD2 ASN 27 -10.601 4.574 5.626 198 2HD2 ASN 27 1HD2 ASN 27 -11.551 4.427 7.094 199 H VAL 28 H VAL 28 -12.034 2.411 1.719 200 HA VAL 28 HA VAL 28 -14.557 3.882 2.321 201 HB VAL 28 HB VAL 28 -12.509 4.197 0.092 202 1HG1 VAL 28 1HG1 VAL 28 -13.653 6.366 -0.376 203 2HG1 VAL 28 2HG1 VAL 28 -14.671 4.977 -0.736 204 3HG1 VAL 28 3HG1 VAL 28 -14.950 5.907 0.753 205 1HG2 VAL 28 1HG2 VAL 28 -11.936 6.302 1.273 206 2HG2 VAL 28 2HG2 VAL 28 -13.120 5.914 2.543 207 3HG2 VAL 28 3HG2 VAL 28 -11.675 4.919 2.334 208 H VAL 29 H VAL 29 -13.266 1.365 0.077 209 HA VAL 29 HA VAL 29 -15.586 1.288 -1.569 210 HB VAL 29 HB VAL 29 -13.062 0.284 -1.744 211 1HG1 VAL 29 1HG1 VAL 29 -12.987 -2.109 -1.829 212 2HG1 VAL 29 2HG1 VAL 29 -13.252 -1.541 -0.191 213 3HG1 VAL 29 3HG1 VAL 29 -14.603 -2.241 -1.123 214 1HG2 VAL 29 1HG2 VAL 29 -14.631 0.618 -3.617 215 2HG2 VAL 29 2HG2 VAL 29 -13.920 -1.000 -3.735 216 3HG2 VAL 29 3HG2 VAL 29 -15.574 -0.808 -3.118 217 H THR 30 H THR 30 -14.521 -0.606 1.208 218 HA THR 30 HA THR 30 -16.699 -2.279 1.457 219 HB THR 30 HB THR 30 -15.913 -2.361 3.860 220 HG1 THR 30 HG1 THR 30 -15.048 -0.512 4.369 221 1HG2 THR 30 1HG2 THR 30 -13.763 -3.388 3.377 222 2HG2 THR 30 2HG2 THR 30 -13.697 -2.605 1.792 223 3HG2 THR 30 3HG2 THR 30 -14.931 -3.843 2.123 224 H ARG 31 H ARG 31 -16.260 0.983 2.713 225 HA ARG 31 HA ARG 31 -18.464 1.055 4.390 226 1HB ARG 31 1HB ARG 31 -16.454 2.621 4.111 227 2HB ARG 31 2HB ARG 31 -17.371 3.455 2.856 228 1HG ARG 31 1HG ARG 31 -19.045 4.130 4.506 229 2HG ARG 31 2HG ARG 31 -18.303 3.075 5.738 230 1HD ARG 31 1HD ARG 31 -16.199 4.387 5.608 231 2HD ARG 31 2HD ARG 31 -16.936 5.447 4.389 232 HE ARG 31 HE ARG 31 -18.647 5.411 6.613 233 1HH1 ARG 31 1HH1 ARG 31 -15.477 6.818 5.706 234 2HH1 ARG 31 2HH1 ARG 31 -15.502 7.973 6.984 235 1HH2 ARG 31 1HH2 ARG 31 -18.756 7.001 8.087 236 2HH2 ARG 31 2HH2 ARG 31 -17.502 8.229 8.221 237 H HIS 32 H HIS 32 -18.533 0.986 1.062 238 HA HIS 32 HA HIS 32 -21.307 1.983 0.810 239 1HB HIS 32 1HB HIS 32 -19.012 1.407 -1.109 240 2HB HIS 32 2HB HIS 32 -20.641 1.627 -1.660 241 HD1 HIS 32 HD1 HIS 32 -20.836 4.021 -2.610 242 HD2 HIS 32 HD2 HIS 32 -18.473 3.707 0.873 243 HE1 HIS 32 HE1 HIS 32 -19.972 6.365 -2.095 244 H ARG 33 H ARG 33 -20.649 -0.502 2.271 245 HA ARG 33 HA ARG 33 -21.290 -2.647 2.502 246 1HB ARG 33 1HB ARG 33 -23.471 -1.509 2.140 247 2HB ARG 33 2HB ARG 33 -23.368 -1.911 0.433 248 1HG ARG 33 1HG ARG 33 -23.390 -4.359 1.068 249 2HG ARG 33 2HG ARG 33 -23.573 -3.883 2.750 250 1HD ARG 33 1HD ARG 33 -25.752 -4.467 1.694 251 2HD ARG 33 2HD ARG 33 -25.709 -2.789 2.232 252 HE ARG 33 HE ARG 33 -25.612 -2.017 0.028 253 1HH1 ARG 33 1HH1 ARG 33 -25.702 -5.619 -0.056 254 2HH1 ARG 33 2HH1 ARG 33 -25.928 -5.601 -1.791 255 1HH2 ARG 33 1HH2 ARG 33 -25.669 -2.156 -2.197 256 2HH2 ARG 33 2HH2 ARG 33 -25.914 -3.719 -2.977 257 H TYR 34 H TYR 34 -19.054 -2.626 1.233 258 HA TYR 34 HA TYR 34 -19.341 -4.614 -0.932 259 1HB TYR 34 1HB TYR 34 -18.706 -2.002 -1.524 260 2HB TYR 34 2HB TYR 34 -17.105 -2.664 -1.233 261 HD1 TYR 34 HD1 TYR 34 -16.048 -3.989 -2.966 262 HD2 TYR 34 HD2 TYR 34 -20.274 -3.142 -3.164 263 HE1 TYR 34 HE1 TYR 34 -16.163 -5.055 -5.192 264 HE2 TYR 34 HE2 TYR 34 -20.394 -4.194 -5.391 265 HH TYR 34 HH TYR 34 -19.196 -5.248 -7.113 266 1HN NH2 35 1H NH2 35 -17.039 -5.683 -1.293 267 2HN NH2 35 2H NH2 35 -16.172 -6.011 0.183 268 3HM EAB 10 3HM AZT 10 15.267 2.897 -1.973 269 2HM EAB 10 2HM AZT 10 15.811 4.289 -1.032 270 HL EAB 10 HL AZT 10 13.199 3.687 1.024 271 HK2 EAB 10 HK2 AZT 10 13.292 2.346 3.076 272 HJ2 EAB 10 HJ2 AZT 10 15.011 0.610 3.400 273 HG1 EAB 10 HG1 AZT 10 20.344 -0.372 0.383 274 HG2 EAB 10 HG2 AZT 10 21.421 -3.963 2.495 275 HD2 EAB 10 HD2 AZT 10 19.079 -4.164 3.327 276 HE EAB 10 HE AZT 10 17.407 -2.448 2.755 277 2HA EAB 10 2HA AZT 10 23.030 -2.893 1.165 278 3HA EAB 10 3HA AZT 10 22.858 -1.117 1.227 279 1HN EAB 10 H AZT 10 21.825 -2.743 -1.062 280 HJ1 EAB 10 HJ1 AZT 10 16.710 1.602 -0.439 Start of MODEL 19 1 1H GLY 1 H GLY 1 2.943 -26.361 -24.053 2 1HA GLY 1 1HA GLY 1 0.686 -24.658 -23.127 3 2HA GLY 1 2HA GLY 1 1.002 -26.328 -22.608 4 HA PRO 2 HA PRO 2 4.460 -23.468 -20.796 5 1HB PRO 2 1HB PRO 2 3.634 -21.006 -19.974 6 2HB PRO 2 2HB PRO 2 4.214 -21.309 -21.639 7 1HG PRO 2 1HG PRO 2 1.340 -21.259 -20.641 8 2HG PRO 2 2HG PRO 2 2.034 -20.374 -22.030 9 1HD PRO 2 1HD PRO 2 0.750 -22.753 -22.338 10 2HD PRO 2 2HD PRO 2 2.188 -22.375 -23.312 11 H SER 3 H SER 3 4.819 -22.843 -18.564 12 HA SER 3 HA SER 3 2.868 -24.019 -16.654 13 1HB SER 3 1HB SER 3 5.898 -23.619 -16.533 14 2HB SER 3 2HB SER 3 4.919 -24.447 -15.322 15 HG SER 3 HG SER 3 5.979 -25.867 -16.672 16 H GLN 4 H GLN 4 3.687 -22.961 -14.335 17 HA GLN 4 HA GLN 4 3.856 -20.011 -14.656 18 1HB GLN 4 1HB GLN 4 1.530 -20.861 -14.051 19 2HB GLN 4 2HB GLN 4 2.224 -21.486 -12.556 20 1HG GLN 4 1HG GLN 4 1.311 -19.335 -12.029 21 2HG GLN 4 2HG GLN 4 3.044 -19.099 -12.065 22 1HE2 GLN 4 2HE2 GLN 4 3.806 -17.410 -13.416 23 2HE2 GLN 4 1HE2 GLN 4 2.897 -16.792 -14.773 24 HA PRO 5 HA PRO 5 7.212 -21.935 -12.055 25 1HB PRO 5 1HB PRO 5 9.417 -20.857 -13.287 26 2HB PRO 5 2HB PRO 5 8.621 -22.368 -13.821 27 1HG PRO 5 1HG PRO 5 8.367 -19.609 -14.983 28 2HG PRO 5 2HG PRO 5 8.472 -21.180 -15.821 29 1HD PRO 5 1HD PRO 5 6.096 -19.812 -15.331 30 2HD PRO 5 2HD PRO 5 6.231 -21.578 -15.572 31 H THR 6 H THR 6 9.082 -20.556 -10.901 32 HA THR 6 HA THR 6 7.679 -18.306 -9.720 33 HB THR 6 HB THR 6 9.968 -18.343 -8.359 34 HG1 THR 6 HG1 THR 6 9.905 -21.072 -8.809 35 1HG2 THR 6 1HG2 THR 6 7.710 -20.388 -8.264 36 2HG2 THR 6 2HG2 THR 6 7.773 -18.815 -7.448 37 3HG2 THR 6 3HG2 THR 6 8.852 -20.114 -6.943 38 H TYR 7 H TYR 7 8.944 -16.265 -9.234 39 HA TYR 7 HA TYR 7 10.170 -15.219 -11.736 40 1HB TYR 7 1HB TYR 7 7.979 -14.338 -9.853 41 2HB TYR 7 2HB TYR 7 9.019 -13.074 -10.375 42 HD1 TYR 7 HD1 TYR 7 6.294 -12.749 -10.799 43 HD2 TYR 7 HD2 TYR 7 9.088 -14.821 -13.379 44 HE1 TYR 7 HE1 TYR 7 4.891 -12.241 -12.756 45 HE2 TYR 7 HE2 TYR 7 7.683 -14.358 -15.286 46 HH TYR 7 HH TYR 7 4.588 -12.559 -15.033 47 HA PRO 8 HA PRO 8 13.587 -13.577 -9.511 48 1HB PRO 8 1HB PRO 8 13.904 -10.981 -10.303 49 2HB PRO 8 2HB PRO 8 14.162 -12.367 -11.395 50 1HG PRO 8 1HG PRO 8 11.637 -10.707 -11.082 51 2HG PRO 8 2HG PRO 8 12.514 -11.101 -12.603 52 1HD PRO 8 1HD PRO 8 10.392 -12.526 -11.849 53 2HD PRO 8 2HD PRO 8 11.827 -13.347 -12.502 54 H GLY 9 H GLY 9 14.240 -11.563 -8.023 55 1HA GLY 9 1HA GLY 9 13.482 -9.824 -6.513 56 2HA GLY 9 2HA GLY 9 11.903 -10.606 -6.423 57 HA PRO 11 HA PRO 11 13.163 0.774 -1.477 58 1HB PRO 11 1HB PRO 11 10.702 0.464 -2.610 59 2HB PRO 11 2HB PRO 11 12.205 0.215 -3.550 60 1HG PRO 11 1HG PRO 11 10.464 -1.898 -2.244 61 2HG PRO 11 2HG PRO 11 11.129 -1.893 -3.896 62 1HD PRO 11 1HD PRO 11 12.310 -3.189 -1.785 63 2HD PRO 11 2HD PRO 11 13.281 -2.496 -3.125 64 H VAL 12 H VAL 12 12.107 1.915 0.227 65 HA VAL 12 HA VAL 12 10.107 0.428 1.819 66 HB VAL 12 HB VAL 12 11.501 2.227 3.508 67 1HG1 VAL 12 1HG1 VAL 12 10.248 0.157 4.147 68 2HG1 VAL 12 2HG1 VAL 12 11.514 -0.831 3.383 69 3HG1 VAL 12 3HG1 VAL 12 11.891 0.149 4.818 70 1HG2 VAL 12 1HG2 VAL 12 13.727 1.314 3.708 71 2HG2 VAL 12 2HG2 VAL 12 13.453 0.220 2.338 72 3HG2 VAL 12 3HG2 VAL 12 13.546 1.975 2.086 73 H GLU 13 H GLU 13 11.491 3.785 1.397 74 HA GLU 13 HA GLU 13 9.066 5.015 1.993 75 1HB GLU 13 1HB GLU 13 11.274 6.151 1.892 76 2HB GLU 13 2HB GLU 13 11.368 5.861 0.146 77 1HG GLU 13 1HG GLU 13 9.420 7.392 -0.181 78 2HG GLU 13 2HG GLU 13 9.369 7.631 1.572 79 H ASP 14 H ASP 14 10.123 3.766 -1.166 80 HA ASP 14 HA ASP 14 7.580 4.695 -2.318 81 1HB ASP 14 1HB ASP 14 10.090 3.749 -3.663 82 2HB ASP 14 2HB ASP 14 8.571 4.029 -4.511 83 H LEU 15 H LEU 15 7.959 2.387 -0.415 84 HA LEU 15 HA LEU 15 6.518 0.292 -1.994 85 1HB LEU 15 1HB LEU 15 8.735 -0.516 -1.275 86 2HB LEU 15 2HB LEU 15 8.359 -0.066 0.390 87 HG LEU 15 HG LEU 15 6.427 -1.701 0.346 88 1HD1 LEU 15 1HD1 LEU 15 6.442 -3.462 -1.383 89 2HD1 LEU 15 2HD1 LEU 15 7.725 -2.606 -2.265 90 3HD1 LEU 15 3HD1 LEU 15 6.108 -1.887 -2.104 91 1HD2 LEU 15 1HD2 LEU 15 9.161 -2.914 -0.183 92 2HD2 LEU 15 2HD2 LEU 15 7.806 -3.678 0.670 93 3HD2 LEU 15 3HD2 LEU 15 8.607 -2.260 1.369 94 H ILE 16 H ILE 16 6.939 1.845 1.262 95 HA ILE 16 HA ILE 16 4.535 0.739 2.308 96 HB ILE 16 HB ILE 16 4.778 2.413 4.071 97 1HG1 ILE 16 1HG1 ILE 16 6.726 3.760 2.161 98 2HG1 ILE 16 2HG1 ILE 16 5.295 4.418 2.937 99 1HG2 ILE 16 1HG2 ILE 16 6.780 1.585 4.983 100 2HG2 ILE 16 2HG2 ILE 16 6.230 0.328 3.882 101 3HG2 ILE 16 3HG2 ILE 16 7.558 1.384 3.400 102 1HD1 ILE 16 1HD1 ILE 16 6.462 4.209 5.134 103 2HD1 ILE 16 2HD1 ILE 16 7.953 3.777 4.243 104 3HD1 ILE 16 3HD1 ILE 16 7.162 5.345 3.991 105 H ARG 17 H ARG 17 5.158 3.634 0.402 106 HA ARG 17 HA ARG 17 2.642 4.850 0.845 107 1HB ARG 17 1HB ARG 17 3.248 6.288 -1.090 108 2HB ARG 17 2HB ARG 17 4.663 6.054 -0.066 109 1HG ARG 17 1HG ARG 17 5.528 4.321 -1.568 110 2HG ARG 17 2HG ARG 17 4.105 4.420 -2.597 111 1HD ARG 17 1HD ARG 17 6.028 6.733 -2.165 112 2HD ARG 17 2HD ARG 17 6.087 5.568 -3.502 113 HE ARG 17 HE ARG 17 3.476 6.647 -3.367 114 1HH1 ARG 17 1HH1 ARG 17 6.783 7.231 -4.637 115 2HH1 ARG 17 2HH1 ARG 17 6.169 8.249 -5.916 116 1HH2 ARG 17 1HH2 ARG 17 2.741 7.898 -5.081 117 2HH2 ARG 17 2HH2 ARG 17 3.805 8.472 -6.291 118 H PHE 18 H PHE 18 3.451 2.285 -1.213 119 HA PHE 18 HA PHE 18 1.125 2.599 -2.965 120 1HB PHE 18 1HB PHE 18 3.059 1.337 -3.758 121 2HB PHE 18 2HB PHE 18 2.942 0.208 -2.416 122 HD1 PHE 18 HD1 PHE 18 1.290 1.356 -5.550 123 HD2 PHE 18 HD2 PHE 18 1.325 -1.623 -2.422 124 HE1 PHE 18 HE1 PHE 18 -0.244 -0.075 -6.874 125 HE2 PHE 18 HE2 PHE 18 -0.205 -3.039 -3.756 126 HZ PHE 18 HZ PHE 18 -1.004 -2.262 -5.980 127 H TYR 19 H TYR 19 1.972 0.720 -0.058 128 HA TYR 19 HA TYR 19 -0.553 -0.639 0.053 129 1HB TYR 19 1HB TYR 19 1.746 -1.202 1.204 130 2HB TYR 19 2HB TYR 19 1.129 -0.224 2.516 131 HD1 TYR 19 HD1 TYR 19 -1.018 -0.861 3.677 132 HD2 TYR 19 HD2 TYR 19 0.758 -3.385 0.652 133 HE1 TYR 19 HE1 TYR 19 -2.505 -2.694 4.342 134 HE2 TYR 19 HE2 TYR 19 -0.715 -5.255 1.353 135 HH TYR 19 HH TYR 19 -3.024 -4.886 4.087 136 H ASN 20 H ASN 20 0.729 2.272 1.714 137 HA ASN 20 HA ASN 20 -1.674 2.640 3.240 138 1HB ASN 20 1HB ASN 20 0.726 4.360 2.643 139 2HB ASN 20 2HB ASN 20 -0.748 5.153 3.175 140 1HD2 ASN 20 2HD2 ASN 20 1.929 4.670 4.657 141 2HD2 ASN 20 1HD2 ASN 20 1.332 3.992 6.166 142 H ASP 21 H ASP 21 -0.896 3.511 -0.135 143 HA ASP 21 HA ASP 21 -3.133 5.277 -0.298 144 1HB ASP 21 1HB ASP 21 -1.088 5.024 -1.889 145 2HB ASP 21 2HB ASP 21 -2.051 3.793 -2.691 146 H LEU 22 H LEU 22 -2.965 1.869 -0.120 147 HA LEU 22 HA LEU 22 -5.448 1.329 -1.613 148 1HB LEU 22 1HB LEU 22 -3.798 -0.420 0.260 149 2HB LEU 22 2HB LEU 22 -5.257 -0.954 -0.543 150 HG LEU 22 HG LEU 22 -2.861 0.055 -2.117 151 1HD1 LEU 22 1HD1 LEU 22 -2.195 -1.910 -0.738 152 2HD1 LEU 22 2HD1 LEU 22 -2.251 -2.300 -2.462 153 3HD1 LEU 22 3HD1 LEU 22 -3.568 -2.821 -1.390 154 1HD2 LEU 22 1HD2 LEU 22 -5.202 -1.740 -2.886 155 2HD2 LEU 22 2HD2 LEU 22 -3.906 -1.167 -3.960 156 3HD2 LEU 22 3HD2 LEU 22 -5.064 -0.013 -3.285 157 H GLN 23 H GLN 23 -4.683 2.632 1.487 158 HA GLN 23 HA GLN 23 -6.717 1.521 3.107 159 1HB GLN 23 1HB GLN 23 -5.487 4.293 3.054 160 2HB GLN 23 2HB GLN 23 -6.614 3.743 4.290 161 1HG GLN 23 1HG GLN 23 -5.094 1.949 4.973 162 2HG GLN 23 2HG GLN 23 -3.908 2.461 3.769 163 1HE2 GLN 23 2HE2 GLN 23 -3.508 2.405 6.685 164 2HE2 GLN 23 1HE2 GLN 23 -3.266 4.051 7.210 165 H GLN 24 H GLN 24 -6.891 4.152 0.663 166 HA GLN 24 HA GLN 24 -9.459 5.085 1.450 167 1HB GLN 24 1HB GLN 24 -9.553 6.220 -0.642 168 2HB GLN 24 2HB GLN 24 -7.887 6.259 -0.032 169 1HG GLN 24 1HG GLN 24 -7.389 4.337 -1.580 170 2HG GLN 24 2HG GLN 24 -8.981 4.576 -2.304 171 1HE2 GLN 24 2HE2 GLN 24 -6.894 4.712 -3.902 172 2HE2 GLN 24 1HE2 GLN 24 -6.670 6.327 -4.530 173 H TYR 25 H TYR 25 -8.464 2.514 -0.731 174 HA TYR 25 HA TYR 25 -11.105 1.650 -1.667 175 1HB TYR 25 1HB TYR 25 -8.766 1.246 -2.705 176 2HB TYR 25 2HB TYR 25 -8.509 0.056 -1.439 177 HD1 TYR 25 HD1 TYR 25 -9.958 0.710 -4.659 178 HD2 TYR 25 HD2 TYR 25 -10.186 -1.897 -1.218 179 HE1 TYR 25 HE1 TYR 25 -11.214 -0.937 -6.001 180 HE2 TYR 25 HE2 TYR 25 -11.405 -3.563 -2.571 181 HH TYR 25 HH TYR 25 -12.066 -3.084 -6.045 182 H LEU 26 H LEU 26 -8.847 0.442 0.993 183 HA LEU 26 HA LEU 26 -10.785 -1.325 1.874 184 1HB LEU 26 1HB LEU 26 -8.508 -1.813 2.283 185 2HB LEU 26 2HB LEU 26 -8.120 -0.140 2.653 186 HG LEU 26 HG LEU 26 -9.258 -0.338 4.785 187 1HD1 LEU 26 1HD1 LEU 26 -9.627 -2.584 5.772 188 2HD1 LEU 26 2HD1 LEU 26 -9.011 -3.365 4.296 189 3HD1 LEU 26 3HD1 LEU 26 -10.548 -2.505 4.266 190 1HD2 LEU 26 1HD2 LEU 26 -6.841 -0.372 4.614 191 2HD2 LEU 26 2HD2 LEU 26 -6.851 -2.130 4.325 192 3HD2 LEU 26 3HD2 LEU 26 -7.381 -1.465 5.890 193 H ASN 27 H ASN 27 -11.026 1.951 2.020 194 HA ASN 27 HA ASN 27 -12.654 2.039 4.526 195 1HB ASN 27 1HB ASN 27 -10.839 3.685 4.349 196 2HB ASN 27 2HB ASN 27 -11.412 4.213 2.778 197 1HD2 ASN 27 2HD2 ASN 27 -12.416 6.211 2.931 198 2HD2 ASN 27 1HD2 ASN 27 -13.506 6.635 4.225 199 H VAL 28 H VAL 28 -12.725 2.574 1.041 200 HA VAL 28 HA VAL 28 -15.559 3.404 1.013 201 HB VAL 28 HB VAL 28 -13.356 3.072 -1.053 202 1HG1 VAL 28 1HG1 VAL 28 -16.296 3.533 -1.665 203 2HG1 VAL 28 2HG1 VAL 28 -14.970 3.943 -2.780 204 3HG1 VAL 28 3HG1 VAL 28 -15.236 2.265 -2.305 205 1HG2 VAL 28 1HG2 VAL 28 -15.154 5.439 -0.393 206 2HG2 VAL 28 2HG2 VAL 28 -13.599 5.146 0.396 207 3HG2 VAL 28 3HG2 VAL 28 -13.655 5.449 -1.356 208 H VAL 29 H VAL 29 -13.583 0.567 -0.096 209 HA VAL 29 HA VAL 29 -15.779 -0.791 -1.187 210 HB VAL 29 HB VAL 29 -13.048 -1.060 -1.218 211 1HG1 VAL 29 1HG1 VAL 29 -12.413 -3.294 -0.467 212 2HG1 VAL 29 2HG1 VAL 29 -12.814 -2.248 0.880 213 3HG1 VAL 29 3HG1 VAL 29 -13.969 -3.504 0.349 214 1HG2 VAL 29 1HG2 VAL 29 -13.637 -3.241 -2.519 215 2HG2 VAL 29 2HG2 VAL 29 -15.303 -2.973 -1.991 216 3HG2 VAL 29 3HG2 VAL 29 -14.473 -1.761 -2.993 217 H THR 30 H THR 30 -14.239 -1.034 1.981 218 HA THR 30 HA THR 30 -15.945 -2.983 3.020 219 HB THR 30 HB THR 30 -15.185 -2.104 5.156 220 HG1 THR 30 HG1 THR 30 -13.266 -0.461 4.395 221 1HG2 THR 30 1HG2 THR 30 -12.872 -2.455 3.195 222 2HG2 THR 30 2HG2 THR 30 -13.817 -3.788 3.871 223 3HG2 THR 30 3HG2 THR 30 -12.847 -2.769 4.943 224 H ARG 31 H ARG 31 -16.436 0.499 2.685 225 HA ARG 31 HA ARG 31 -18.512 0.706 4.600 226 1HB ARG 31 1HB ARG 31 -17.292 2.595 3.265 227 2HB ARG 31 2HB ARG 31 -18.415 2.234 1.965 228 1HG ARG 31 1HG ARG 31 -19.290 4.098 3.009 229 2HG ARG 31 2HG ARG 31 -20.320 2.815 3.623 230 1HD ARG 31 1HD ARG 31 -17.879 3.905 5.072 231 2HD ARG 31 2HD ARG 31 -19.481 4.568 5.297 232 HE ARG 31 HE ARG 31 -20.113 2.176 5.996 233 1HH1 ARG 31 1HH1 ARG 31 -16.967 3.710 6.654 234 2HH1 ARG 31 2HH1 ARG 31 -16.754 2.959 8.191 235 1HH2 ARG 31 1HH2 ARG 31 -19.731 1.055 8.019 236 2HH2 ARG 31 2HH2 ARG 31 -18.347 1.457 8.972 237 H HIS 32 H HIS 32 -18.499 -0.818 1.640 238 HA HIS 32 HA HIS 32 -21.414 -1.338 1.678 239 1HB HIS 32 1HB HIS 32 -19.391 -0.720 -0.515 240 2HB HIS 32 2HB HIS 32 -20.726 -1.745 -0.899 241 HD1 HIS 32 HD1 HIS 32 -21.905 -0.090 -2.576 242 HD2 HIS 32 HD2 HIS 32 -21.071 1.556 1.234 243 HE1 HIS 32 HE1 HIS 32 -22.966 2.213 -2.498 244 H ARG 33 H ARG 33 -18.527 -2.687 2.211 245 HA ARG 33 HA ARG 33 -19.515 -5.428 2.165 246 1HB ARG 33 1HB ARG 33 -18.932 -4.841 -0.320 247 2HB ARG 33 2HB ARG 33 -17.260 -4.844 0.188 248 1HG ARG 33 1HG ARG 33 -17.805 -7.262 1.100 249 2HG ARG 33 2HG ARG 33 -19.286 -7.101 0.131 250 1HD ARG 33 1HD ARG 33 -17.933 -6.679 -1.884 251 2HD ARG 33 2HD ARG 33 -16.447 -6.801 -0.920 252 HE ARG 33 HE ARG 33 -17.901 -9.175 -0.511 253 1HH1 ARG 33 1HH1 ARG 33 -16.034 -7.560 -3.089 254 2HH1 ARG 33 2HH1 ARG 33 -15.793 -9.025 -3.989 255 1HH2 ARG 33 1HH2 ARG 33 -17.753 -11.024 -1.818 256 2HH2 ARG 33 2HH2 ARG 33 -16.839 -11.015 -3.287 257 H TYR 34 H TYR 34 -18.535 -4.419 4.502 258 HA TYR 34 HA TYR 34 -15.666 -4.596 4.747 259 1HB TYR 34 1HB TYR 34 -16.211 -4.602 7.214 260 2HB TYR 34 2HB TYR 34 -16.788 -3.218 6.318 261 HD1 TYR 34 HD1 TYR 34 -19.154 -2.715 6.085 262 HD2 TYR 34 HD2 TYR 34 -17.847 -6.385 7.957 263 HE1 TYR 34 HE1 TYR 34 -21.462 -3.195 6.724 264 HE2 TYR 34 HE2 TYR 34 -20.186 -6.832 8.675 265 HH TYR 34 HH TYR 34 -22.861 -5.003 7.299 266 1HN NH2 35 1H NH2 35 -14.755 -6.357 6.476 267 2HN NH2 35 2H NH2 35 -15.283 -7.957 6.081 268 3HM EAB 10 3HM AZT 10 15.115 -3.286 -1.393 269 2HM EAB 10 2HM AZT 10 15.664 -2.891 0.238 270 HL EAB 10 HL AZT 10 12.625 -2.618 1.357 271 HK2 EAB 10 HK2 AZT 10 11.111 -4.370 2.189 272 HJ2 EAB 10 HJ2 AZT 10 11.463 -6.747 1.566 273 HG1 EAB 10 HG1 AZT 10 13.843 -9.649 -3.020 274 HG2 EAB 10 HG2 AZT 10 16.798 -12.424 -1.533 275 HD2 EAB 10 HD2 AZT 10 16.934 -11.110 0.577 276 HE EAB 10 HE AZT 10 15.586 -9.074 0.870 277 2HA EAB 10 2HA AZT 10 14.705 -12.898 -3.424 278 3HA EAB 10 3HA AZT 10 16.271 -12.274 -3.964 279 1HN EAB 10 H AZT 10 15.135 -10.545 -5.215 280 HJ1 EAB 10 HJ1 AZT 10 14.869 -5.593 -0.813 Start of MODEL 20 1 1H GLY 1 H GLY 1 8.248 -13.491 -20.939 2 1HA GLY 1 1HA GLY 1 7.969 -14.240 -18.665 3 2HA GLY 1 2HA GLY 1 9.415 -13.298 -18.227 4 HA PRO 2 HA PRO 2 5.371 -10.652 -18.219 5 1HB PRO 2 1HB PRO 2 4.731 -10.623 -15.541 6 2HB PRO 2 2HB PRO 2 4.044 -11.781 -16.720 7 1HG PRO 2 1HG PRO 2 6.379 -12.177 -14.815 8 2HG PRO 2 2HG PRO 2 5.001 -13.275 -15.115 9 1HD PRO 2 1HD PRO 2 7.416 -13.638 -16.314 10 2HD PRO 2 2HD PRO 2 5.902 -13.970 -17.206 11 H SER 3 H SER 3 8.205 -11.037 -16.124 12 HA SER 3 HA SER 3 8.518 -8.119 -15.868 13 1HB SER 3 1HB SER 3 9.790 -8.874 -13.767 14 2HB SER 3 2HB SER 3 8.026 -8.991 -13.746 15 HG SER 3 HG SER 3 8.917 -10.850 -12.956 16 H GLN 4 H GLN 4 10.419 -7.250 -16.335 17 HA GLN 4 HA GLN 4 12.795 -8.863 -16.865 18 1HB GLN 4 1HB GLN 4 13.067 -7.943 -19.153 19 2HB GLN 4 2HB GLN 4 11.722 -9.048 -18.995 20 1HG GLN 4 1HG GLN 4 10.097 -7.245 -18.986 21 2HG GLN 4 2HG GLN 4 11.376 -6.024 -19.028 22 1HE2 GLN 4 2HE2 GLN 4 10.374 -5.177 -20.991 23 2HE2 GLN 4 1HE2 GLN 4 10.372 -6.106 -22.479 24 HA PRO 5 HA PRO 5 13.076 -4.553 -14.961 25 1HB PRO 5 1HB PRO 5 14.080 -5.180 -12.487 26 2HB PRO 5 2HB PRO 5 12.334 -5.100 -12.874 27 1HG PRO 5 1HG PRO 5 14.107 -7.557 -12.773 28 2HG PRO 5 2HG PRO 5 12.482 -7.339 -12.060 29 1HD PRO 5 1HD PRO 5 12.828 -8.569 -14.462 30 2HD PRO 5 2HD PRO 5 11.430 -7.496 -14.137 31 H THR 6 H THR 6 14.777 -3.750 -16.060 32 HA THR 6 HA THR 6 17.282 -5.192 -16.350 33 HB THR 6 HB THR 6 16.778 -2.300 -17.113 34 HG1 THR 6 HG1 THR 6 15.764 -4.628 -18.377 35 1HG2 THR 6 1HG2 THR 6 18.996 -3.110 -17.613 36 2HG2 THR 6 2HG2 THR 6 18.122 -3.027 -19.130 37 3HG2 THR 6 3HG2 THR 6 18.356 -4.595 -18.321 38 H TYR 7 H TYR 7 16.052 -3.256 -13.844 39 HA TYR 7 HA TYR 7 18.735 -2.313 -13.005 40 1HB TYR 7 1HB TYR 7 16.746 -0.756 -13.389 41 2HB TYR 7 2HB TYR 7 16.043 -1.438 -11.937 42 HD1 TYR 7 HD1 TYR 7 16.767 -0.619 -9.789 43 HD2 TYR 7 HD2 TYR 7 18.992 0.353 -13.350 44 HE1 TYR 7 HE1 TYR 7 18.099 1.046 -8.509 45 HE2 TYR 7 HE2 TYR 7 20.327 2.011 -12.083 46 HH TYR 7 HH TYR 7 20.686 3.004 -10.009 47 HA PRO 8 HA PRO 8 17.840 -6.014 -10.373 48 1HB PRO 8 1HB PRO 8 20.394 -6.823 -9.902 49 2HB PRO 8 2HB PRO 8 19.552 -7.127 -11.451 50 1HG PRO 8 1HG PRO 8 21.506 -4.899 -10.829 51 2HG PRO 8 2HG PRO 8 21.495 -6.002 -12.235 52 1HD PRO 8 1HD PRO 8 20.390 -3.512 -12.338 53 2HD PRO 8 2HD PRO 8 19.692 -4.899 -13.221 54 H GLY 9 H GLY 9 17.118 -5.334 -8.407 55 1HA GLY 9 1HA GLY 9 18.442 -3.307 -6.846 56 2HA GLY 9 2HA GLY 9 17.027 -4.269 -6.377 57 HA PRO 11 HA PRO 11 13.251 5.325 -0.701 58 1HB PRO 11 1HB PRO 11 11.371 3.884 -2.064 59 2HB PRO 11 2HB PRO 11 12.772 4.617 -2.879 60 1HG PRO 11 1HG PRO 11 12.379 1.745 -2.066 61 2HG PRO 11 2HG PRO 11 13.153 2.421 -3.537 62 1HD PRO 11 1HD PRO 11 14.542 1.504 -1.289 63 2HD PRO 11 2HD PRO 11 15.181 2.675 -2.476 64 H VAL 12 H VAL 12 11.771 5.583 1.049 65 HA VAL 12 HA VAL 12 10.680 3.200 2.347 66 HB VAL 12 HB VAL 12 11.075 4.979 4.287 67 1HG1 VAL 12 1HG1 VAL 12 13.029 3.664 4.998 68 2HG1 VAL 12 2HG1 VAL 12 11.887 2.586 4.168 69 3HG1 VAL 12 3HG1 VAL 12 13.321 3.160 3.320 70 1HG2 VAL 12 1HG2 VAL 12 13.217 6.059 4.355 71 2HG2 VAL 12 2HG2 VAL 12 13.612 5.518 2.718 72 3HG2 VAL 12 3HG2 VAL 12 12.307 6.696 2.988 73 H GLU 13 H GLU 13 10.442 6.789 2.667 74 HA GLU 13 HA GLU 13 7.609 6.740 2.871 75 1HB GLU 13 1HB GLU 13 8.717 8.554 3.809 76 2HB GLU 13 2HB GLU 13 9.745 8.781 2.404 77 1HG GLU 13 1HG GLU 13 7.670 9.560 1.131 78 2HG GLU 13 2HG GLU 13 6.790 9.494 2.667 79 H ASP 14 H ASP 14 9.828 6.723 0.160 80 HA ASP 14 HA ASP 14 7.731 7.163 -1.860 81 1HB ASP 14 1HB ASP 14 10.041 8.278 -1.819 82 2HB ASP 14 2HB ASP 14 10.674 6.720 -2.335 83 H LEU 15 H LEU 15 7.889 4.718 -0.120 84 HA LEU 15 HA LEU 15 7.785 2.691 -2.265 85 1HB LEU 15 1HB LEU 15 9.949 2.279 -1.207 86 2HB LEU 15 2HB LEU 15 9.238 2.342 0.397 87 HG LEU 15 HG LEU 15 7.860 0.314 -0.112 88 1HD1 LEU 15 1HD1 LEU 15 8.521 -1.039 -2.153 89 2HD1 LEU 15 2HD1 LEU 15 9.366 0.396 -2.775 90 3HD1 LEU 15 3HD1 LEU 15 7.601 0.412 -2.523 91 1HD2 LEU 15 1HD2 LEU 15 9.660 -1.265 -0.006 92 2HD2 LEU 15 2HD2 LEU 15 10.119 0.182 0.915 93 3HD2 LEU 15 3HD2 LEU 15 10.780 -0.060 -0.721 94 H ILE 16 H ILE 16 7.032 3.408 1.235 95 HA ILE 16 HA ILE 16 4.907 1.473 1.216 96 HB ILE 16 HB ILE 16 4.392 1.893 3.275 97 1HG1 ILE 16 1HG1 ILE 16 3.742 4.188 3.259 98 2HG1 ILE 16 2HG1 ILE 16 4.735 3.746 4.622 99 1HG2 ILE 16 1HG2 ILE 16 7.327 2.686 3.161 100 2HG2 ILE 16 2HG2 ILE 16 6.474 1.953 4.504 101 3HG2 ILE 16 3HG2 ILE 16 6.676 1.043 3.003 102 1HD1 ILE 16 1HD1 ILE 16 5.713 5.290 2.187 103 2HD1 ILE 16 2HD1 ILE 16 5.277 5.998 3.755 104 3HD1 ILE 16 3HD1 ILE 16 6.666 4.906 3.643 105 H ARG 17 H ARG 17 5.032 4.569 -0.141 106 HA ARG 17 HA ARG 17 2.357 5.389 0.157 107 1HB ARG 17 1HB ARG 17 2.807 6.789 -1.886 108 2HB ARG 17 2HB ARG 17 4.032 6.965 -0.627 109 1HG ARG 17 1HG ARG 17 5.663 5.754 -1.852 110 2HG ARG 17 2HG ARG 17 4.437 4.942 -2.828 111 1HD ARG 17 1HD ARG 17 5.453 6.407 -4.284 112 2HD ARG 17 2HD ARG 17 3.878 7.133 -3.893 113 HE ARG 17 HE ARG 17 5.768 8.290 -2.169 114 1HH1 ARG 17 1HH1 ARG 17 5.053 8.152 -5.636 115 2HH1 ARG 17 2HH1 ARG 17 5.996 9.553 -6.041 116 1HH2 ARG 17 1HH2 ARG 17 7.210 10.009 -2.729 117 2HH2 ARG 17 2HH2 ARG 17 7.395 10.444 -4.377 118 H PHE 18 H PHE 18 3.385 2.649 -1.527 119 HA PHE 18 HA PHE 18 0.981 2.703 -3.311 120 1HB PHE 18 1HB PHE 18 3.064 2.268 -4.461 121 2HB PHE 18 2HB PHE 18 3.436 0.934 -3.372 122 HD1 PHE 18 HD1 PHE 18 0.562 2.065 -5.577 123 HD2 PHE 18 HD2 PHE 18 3.002 -1.216 -4.199 124 HE1 PHE 18 HE1 PHE 18 -0.710 0.516 -7.025 125 HE2 PHE 18 HE2 PHE 18 1.675 -2.773 -5.581 126 HZ PHE 18 HZ PHE 18 -0.174 -1.908 -7.027 127 H TYR 19 H TYR 19 1.972 1.552 -0.272 128 HA TYR 19 HA TYR 19 0.011 -0.690 -0.265 129 1HB TYR 19 1HB TYR 19 2.536 -0.696 0.536 130 2HB TYR 19 2HB TYR 19 1.899 0.036 1.986 131 HD1 TYR 19 HD1 TYR 19 -0.263 -1.334 2.998 132 HD2 TYR 19 HD2 TYR 19 2.817 -2.965 0.442 133 HE1 TYR 19 HE1 TYR 19 -0.766 -3.589 3.830 134 HE2 TYR 19 HE2 TYR 19 2.342 -5.233 1.324 135 HH TYR 19 HH TYR 19 -0.003 -5.840 3.909 136 H ASN 20 H ASN 20 0.931 2.373 1.334 137 HA ASN 20 HA ASN 20 -1.118 2.384 3.303 138 1HB ASN 20 1HB ASN 20 0.644 4.500 2.047 139 2HB ASN 20 2HB ASN 20 -0.637 4.938 3.181 140 1HD2 ASN 20 2HD2 ASN 20 1.196 5.734 4.539 141 2HD2 ASN 20 1HD2 ASN 20 1.887 4.547 5.642 142 H ASP 21 H ASP 21 -1.184 3.300 -0.099 143 HA ASP 21 HA ASP 21 -3.538 4.848 -0.086 144 1HB ASP 21 1HB ASP 21 -2.020 3.275 -2.166 145 2HB ASP 21 2HB ASP 21 -3.674 3.788 -2.526 146 H LEU 22 H LEU 22 -3.097 1.345 0.136 147 HA LEU 22 HA LEU 22 -5.673 0.458 -0.629 148 1HB LEU 22 1HB LEU 22 -3.878 -0.625 1.581 149 2HB LEU 22 2HB LEU 22 -5.220 -1.496 0.857 150 HG LEU 22 HG LEU 22 -2.777 -0.589 -0.735 151 1HD1 LEU 22 1HD1 LEU 22 -1.914 -2.818 -0.501 152 2HD1 LEU 22 2HD1 LEU 22 -3.336 -3.351 0.433 153 3HD1 LEU 22 3HD1 LEU 22 -2.191 -2.177 1.115 154 1HD2 LEU 22 1HD2 LEU 22 -4.960 -2.644 -1.346 155 2HD2 LEU 22 2HD2 LEU 22 -3.561 -2.243 -2.362 156 3HD2 LEU 22 3HD2 LEU 22 -4.812 -1.038 -2.090 157 H GLN 23 H GLN 23 -4.648 2.274 2.142 158 HA GLN 23 HA GLN 23 -6.687 1.430 3.991 159 1HB GLN 23 1HB GLN 23 -5.284 4.137 3.796 160 2HB GLN 23 2HB GLN 23 -6.262 3.577 5.127 161 1HG GLN 23 1HG GLN 23 -3.428 3.081 4.644 162 2HG GLN 23 2HG GLN 23 -4.371 2.960 6.090 163 1HE2 GLN 23 2HE2 GLN 23 -2.920 1.069 3.464 164 2HE2 GLN 23 1HE2 GLN 23 -3.416 -0.471 4.080 165 H GLN 24 H GLN 24 -6.654 3.929 1.401 166 HA GLN 24 HA GLN 24 -9.254 4.906 2.094 167 1HB GLN 24 1HB GLN 24 -7.405 6.052 0.679 168 2HB GLN 24 2HB GLN 24 -8.074 5.141 -0.684 169 1HG GLN 24 1HG GLN 24 -10.336 6.102 -0.159 170 2HG GLN 24 2HG GLN 24 -9.635 7.010 1.175 171 1HE2 GLN 24 2HE2 GLN 24 -8.504 8.953 0.731 172 2HE2 GLN 24 1HE2 GLN 24 -8.458 9.636 -0.878 173 H TYR 25 H TYR 25 -8.126 2.322 -0.036 174 HA TYR 25 HA TYR 25 -10.544 1.778 -1.485 175 1HB TYR 25 1HB TYR 25 -8.245 0.835 -1.949 176 2HB TYR 25 2HB TYR 25 -8.403 -0.179 -0.534 177 HD1 TYR 25 HD1 TYR 25 -10.355 0.679 -3.662 178 HD2 TYR 25 HD2 TYR 25 -9.001 -2.400 -0.943 179 HE1 TYR 25 HE1 TYR 25 -11.329 -1.039 -5.129 180 HE2 TYR 25 HE2 TYR 25 -10.000 -4.115 -2.415 181 HH TYR 25 HH TYR 25 -11.379 -4.493 -4.160 182 H LEU 26 H LEU 26 -9.381 0.123 1.605 183 HA LEU 26 HA LEU 26 -11.820 -1.093 1.963 184 1HB LEU 26 1HB LEU 26 -10.633 -1.981 3.668 185 2HB LEU 26 2HB LEU 26 -9.294 -1.142 3.023 186 HG LEU 26 HG LEU 26 -10.007 0.796 4.709 187 1HD1 LEU 26 1HD1 LEU 26 -10.847 -0.115 6.858 188 2HD1 LEU 26 2HD1 LEU 26 -11.142 -1.682 6.081 189 3HD1 LEU 26 3HD1 LEU 26 -12.078 -0.258 5.606 190 1HD2 LEU 26 1HD2 LEU 26 -7.886 -0.429 4.725 191 2HD2 LEU 26 2HD2 LEU 26 -8.652 -1.779 5.585 192 3HD2 LEU 26 3HD2 LEU 26 -8.494 -0.190 6.368 193 H ASN 27 H ASN 27 -10.910 2.190 2.643 194 HA ASN 27 HA ASN 27 -12.968 2.831 4.518 195 1HB ASN 27 1HB ASN 27 -10.733 4.070 3.697 196 2HB ASN 27 2HB ASN 27 -11.864 4.927 2.662 197 1HD2 ASN 27 2HD2 ASN 27 -10.369 6.268 4.573 198 2HD2 ASN 27 1HD2 ASN 27 -11.341 6.624 5.980 199 H VAL 28 H VAL 28 -13.165 2.181 1.193 200 HA VAL 28 HA VAL 28 -15.876 3.451 1.103 201 HB VAL 28 HB VAL 28 -13.958 3.492 -1.253 202 1HG1 VAL 28 1HG1 VAL 28 -16.473 3.522 -1.720 203 2HG1 VAL 28 2HG1 VAL 28 -16.586 4.996 -0.759 204 3HG1 VAL 28 3HG1 VAL 28 -15.629 4.975 -2.254 205 1HG2 VAL 28 1HG2 VAL 28 -14.715 5.740 0.673 206 2HG2 VAL 28 2HG2 VAL 28 -13.079 5.084 0.381 207 3HG2 VAL 28 3HG2 VAL 28 -13.918 5.963 -0.895 208 H VAL 29 H VAL 29 -13.749 1.081 -0.643 209 HA VAL 29 HA VAL 29 -15.808 -0.196 -1.900 210 HB VAL 29 HB VAL 29 -12.972 -0.529 -1.650 211 1HG1 VAL 29 1HG1 VAL 29 -13.183 -2.612 -0.439 212 2HG1 VAL 29 2HG1 VAL 29 -14.460 -3.194 -1.551 213 3HG1 VAL 29 3HG1 VAL 29 -12.803 -2.971 -2.111 214 1HG2 VAL 29 1HG2 VAL 29 -13.408 -1.606 -3.910 215 2HG2 VAL 29 2HG2 VAL 29 -15.133 -1.509 -3.563 216 3HG2 VAL 29 3HG2 VAL 29 -14.165 -0.025 -3.691 217 H THR 30 H THR 30 -14.342 -1.636 0.982 218 HA THR 30 HA THR 30 -16.678 -3.298 1.341 219 HB THR 30 HB THR 30 -15.405 -3.721 3.546 220 HG1 THR 30 HG1 THR 30 -13.516 -2.908 3.731 221 1HG2 THR 30 1HG2 THR 30 -15.530 -5.359 1.747 222 2HG2 THR 30 2HG2 THR 30 -13.894 -5.336 2.412 223 3HG2 THR 30 3HG2 THR 30 -14.228 -4.536 0.854 224 H ARG 31 H ARG 31 -15.602 -0.183 2.600 225 HA ARG 31 HA ARG 31 -17.337 -0.044 4.799 226 1HB ARG 31 1HB ARG 31 -15.435 1.549 4.208 227 2HB ARG 31 2HB ARG 31 -16.465 2.188 2.925 228 1HG ARG 31 1HG ARG 31 -16.499 3.764 4.696 229 2HG ARG 31 2HG ARG 31 -18.076 2.997 4.706 230 1HD ARG 31 1HD ARG 31 -17.333 1.549 6.546 231 2HD ARG 31 2HD ARG 31 -15.718 2.271 6.496 232 HE ARG 31 HE ARG 31 -18.199 3.383 7.564 233 1HH1 ARG 31 1HH1 ARG 31 -14.848 4.313 6.576 234 2HH1 ARG 31 2HH1 ARG 31 -14.728 5.526 7.756 235 1HH2 ARG 31 1HH2 ARG 31 -18.008 5.126 9.023 236 2HH2 ARG 31 2HH2 ARG 31 -16.461 5.761 9.435 237 H HIS 32 H HIS 32 -18.126 0.085 1.567 238 HA HIS 32 HA HIS 32 -20.948 0.800 2.217 239 1HB HIS 32 1HB HIS 32 -19.163 2.158 0.449 240 2HB HIS 32 2HB HIS 32 -20.402 1.411 -0.536 241 HD1 HIS 32 HD1 HIS 32 -21.760 3.597 -1.071 242 HD2 HIS 32 HD2 HIS 32 -20.954 3.020 3.024 243 HE1 HIS 32 HE1 HIS 32 -23.284 5.180 0.179 244 H ARG 33 H ARG 33 -20.619 -1.481 2.785 245 HA ARG 33 HA ARG 33 -21.158 -3.673 2.562 246 1HB ARG 33 1HB ARG 33 -23.075 -2.677 0.439 247 2HB ARG 33 2HB ARG 33 -23.256 -4.096 1.472 248 1HG ARG 33 1HG ARG 33 -23.516 -2.664 3.449 249 2HG ARG 33 2HG ARG 33 -23.349 -1.205 2.454 250 1HD ARG 33 1HD ARG 33 -25.530 -3.306 2.168 251 2HD ARG 33 2HD ARG 33 -25.709 -1.711 2.919 252 HE ARG 33 HE ARG 33 -24.670 -1.462 0.251 253 1HH1 ARG 33 1HH1 ARG 33 -27.734 -2.381 1.724 254 2HH1 ARG 33 2HH1 ARG 33 -28.707 -1.448 0.621 255 1HH2 ARG 33 1HH2 ARG 33 -25.865 -0.574 -1.343 256 2HH2 ARG 33 2HH2 ARG 33 -27.591 -0.480 -1.329 257 H TYR 34 H TYR 34 -18.803 -3.454 1.239 258 HA TYR 34 HA TYR 34 -17.489 -4.311 -0.402 259 1HB TYR 34 1HB TYR 34 -18.251 -6.399 0.679 260 2HB TYR 34 2HB TYR 34 -19.552 -6.521 -0.498 261 HD1 TYR 34 HD1 TYR 34 -19.150 -7.741 -2.499 262 HD2 TYR 34 HD2 TYR 34 -15.793 -6.181 -0.307 263 HE1 TYR 34 HE1 TYR 34 -17.612 -8.891 -4.060 264 HE2 TYR 34 HE2 TYR 34 -14.247 -7.314 -1.854 265 HH TYR 34 HH TYR 34 -15.358 -9.562 -4.362 266 1HN NH2 35 1H NH2 35 -18.357 -2.300 -1.404 267 2HN NH2 35 2H NH2 35 -19.111 -2.414 -2.984 268 3HM EAB 10 3HM AZT 10 16.981 2.845 -0.950 269 2HM EAB 10 2HM AZT 10 17.440 3.572 0.587 270 HL EAB 10 HL AZT 10 14.615 2.226 1.825 271 HK2 EAB 10 HK2 AZT 10 14.408 0.072 2.962 272 HJ2 EAB 10 HJ2 AZT 10 15.950 -1.782 2.439 273 HG1 EAB 10 HG1 AZT 10 18.522 -3.126 -2.602 274 HG2 EAB 10 HG2 AZT 10 21.418 -6.157 -1.542 275 HD2 EAB 10 HD2 AZT 10 21.439 -5.316 0.775 276 HE EAB 10 HE AZT 10 20.025 -3.364 1.416 277 2HA EAB 10 2HA AZT 10 19.677 -6.317 -3.592 278 3HA EAB 10 3HA AZT 10 21.045 -5.290 -4.023 279 1HN EAB 10 H AZT 10 18.784 -3.712 -4.472 280 HJ1 EAB 10 HJ1 AZT 10 18.174 0.817 -0.188
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