NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27155 | 2p81 | 7386 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 16 1H ALA 16 -13.156 17.317 -11.906 2 2H ALA 16 2H ALA 16 -12.606 18.908 -12.238 3 3H ALA 16 3H ALA 16 -13.294 18.536 -10.710 4 HA ALA 16 HA ALA 16 -10.778 17.491 -11.819 5 1HB ALA 16 1HB ALA 16 -9.648 18.965 -10.492 6 2HB ALA 16 2HB ALA 16 -10.961 19.093 -9.322 7 3HB ALA 16 3HB ALA 16 -11.073 19.934 -10.868 8 H LYS 17 H LYS 17 -12.881 17.686 -8.949 9 HA LYS 17 HA LYS 17 -11.573 15.386 -7.765 10 1HB LYS 17 1HB LYS 17 -13.283 15.753 -5.938 11 2HB LYS 17 2HB LYS 17 -12.167 17.083 -6.216 12 1HG LYS 17 1HG LYS 17 -13.821 18.363 -7.320 13 2HG LYS 17 2HG LYS 17 -14.916 16.983 -7.424 14 1HD LYS 17 1HD LYS 17 -15.128 16.968 -4.986 15 2HD LYS 17 2HD LYS 17 -14.028 18.344 -4.880 16 1HE LYS 17 1HE LYS 17 -15.858 19.298 -6.628 17 2HE LYS 17 2HE LYS 17 -16.870 18.239 -5.646 18 1HZ LYS 17 1HZ LYS 17 -15.664 19.449 -3.702 19 2HZ LYS 17 2HZ LYS 17 -16.976 20.185 -4.474 20 3HZ LYS 17 3HZ LYS 17 -15.398 20.654 -4.860 21 H ARG 18 H ARG 18 -12.147 13.373 -8.203 22 HA ARG 18 HA ARG 18 -14.922 12.620 -8.408 23 1HB ARG 18 1HB ARG 18 -13.074 12.378 -10.784 24 2HB ARG 18 2HB ARG 18 -14.583 11.488 -10.633 25 1HG ARG 18 1HG ARG 18 -15.650 13.818 -10.304 26 2HG ARG 18 2HG ARG 18 -14.151 14.419 -11.016 27 1HD ARG 18 1HD ARG 18 -15.808 14.140 -12.748 28 2HD ARG 18 2HD ARG 18 -14.525 12.951 -12.964 29 HE ARG 18 HE ARG 18 -16.376 11.615 -11.507 30 1HH1 ARG 18 1HH1 ARG 18 -16.524 13.424 -14.488 31 2HH1 ARG 18 2HH1 ARG 18 -17.818 12.479 -15.143 32 1HH2 ARG 18 1HH2 ARG 18 -18.078 10.371 -12.367 33 2HH2 ARG 18 2HH2 ARG 18 -18.701 10.746 -13.939 34 H GLU 19 H GLU 19 -11.701 11.381 -9.319 35 HA GLU 19 HA GLU 19 -12.010 9.243 -7.353 36 1HB GLU 19 1HB GLU 19 -12.655 8.701 -9.919 37 2HB GLU 19 2HB GLU 19 -10.927 8.379 -9.969 38 1HG GLU 19 1HG GLU 19 -12.283 7.191 -7.673 39 2HG GLU 19 2HG GLU 19 -12.854 6.598 -9.232 40 H PHE 20 H PHE 20 -9.909 7.915 -7.257 41 HA PHE 20 HA PHE 20 -7.580 9.629 -7.781 42 1HB PHE 20 1HB PHE 20 -6.661 9.025 -5.566 43 2HB PHE 20 2HB PHE 20 -8.163 9.933 -5.438 44 HD1 PHE 20 HD1 PHE 20 -6.926 6.420 -5.535 45 HD2 PHE 20 HD2 PHE 20 -9.811 9.163 -4.031 46 HE1 PHE 20 HE1 PHE 20 -7.871 4.643 -4.119 47 HE2 PHE 20 HE2 PHE 20 -10.761 7.392 -2.612 48 HZ PHE 20 HZ PHE 20 -9.792 5.128 -2.656 49 H ASN 21 H ASN 21 -5.553 8.128 -6.919 50 HA ASN 21 HA ASN 21 -5.450 6.024 -8.847 51 1HB ASN 21 1HB ASN 21 -3.475 6.777 -6.688 52 2HB ASN 21 2HB ASN 21 -3.162 5.671 -8.021 53 1HD2 ASN 21 1HD2 ASN 21 -2.286 6.489 -9.782 54 2HD2 ASN 21 2HD2 ASN 21 -2.247 8.162 -10.211 55 H GLU 22 H GLU 22 -6.768 4.341 -8.399 56 HA GLU 22 HA GLU 22 -7.143 3.244 -5.811 57 1HB GLU 22 1HB GLU 22 -8.399 2.967 -8.237 58 2HB GLU 22 2HB GLU 22 -7.588 1.416 -8.069 59 1HG GLU 22 1HG GLU 22 -8.649 1.582 -5.635 60 2HG GLU 22 2HG GLU 22 -9.811 2.580 -6.507 61 H ASN 23 H ASN 23 -4.936 3.057 -5.120 62 HA ASN 23 HA ASN 23 -3.062 1.879 -4.622 63 1HB ASN 23 1HB ASN 23 -4.228 -0.474 -6.076 64 2HB ASN 23 2HB ASN 23 -3.112 -0.467 -4.718 65 1HD2 ASN 23 1HD2 ASN 23 -4.191 1.064 -2.878 66 2HD2 ASN 23 2HD2 ASN 23 -5.756 0.506 -2.402 67 H ARG 24 H ARG 24 -1.987 3.255 -6.083 68 HA ARG 24 HA ARG 24 -0.509 1.840 -8.100 69 1HB ARG 24 1HB ARG 24 -2.228 4.194 -8.922 70 2HB ARG 24 2HB ARG 24 -1.054 3.376 -9.944 71 1HG ARG 24 1HG ARG 24 -2.419 1.279 -9.620 72 2HG ARG 24 2HG ARG 24 -3.653 2.307 -8.886 73 1HD ARG 24 1HD ARG 24 -3.354 3.708 -11.077 74 2HD ARG 24 2HD ARG 24 -2.699 2.201 -11.714 75 HE ARG 24 HE ARG 24 -5.164 1.705 -10.440 76 1HH1 ARG 24 1HH1 ARG 24 -3.850 3.183 -13.315 77 2HH1 ARG 24 2HH1 ARG 24 -5.271 2.898 -14.263 78 1HH2 ARG 24 1HH2 ARG 24 -7.034 1.328 -11.685 79 2HH2 ARG 24 2HH2 ARG 24 -7.079 1.846 -13.337 80 H TYR 25 H TYR 25 -1.378 5.156 -7.173 81 HA TYR 25 HA TYR 25 0.848 6.569 -7.683 82 1HB TYR 25 1HB TYR 25 0.279 8.026 -5.815 83 2HB TYR 25 2HB TYR 25 -1.191 7.474 -6.613 84 HD1 TYR 25 HD1 TYR 25 -2.129 5.169 -5.551 85 HD2 TYR 25 HD2 TYR 25 0.252 8.043 -3.510 86 HE1 TYR 25 HE1 TYR 25 -2.973 4.329 -3.407 87 HE2 TYR 25 HE2 TYR 25 -0.592 7.215 -1.354 88 HH TYR 25 HH TYR 25 -3.269 5.289 -1.043 89 H LEU 26 H LEU 26 0.402 4.577 -4.779 90 HA LEU 26 HA LEU 26 3.316 4.647 -4.391 91 1HB LEU 26 1HB LEU 26 3.126 5.079 -2.185 92 2HB LEU 26 2HB LEU 26 1.616 5.801 -2.690 93 HG LEU 26 HG LEU 26 1.123 4.575 -0.744 94 1HD1 LEU 26 1HD1 LEU 26 -0.709 3.593 -1.520 95 2HD1 LEU 26 2HD1 LEU 26 0.214 2.384 -2.410 96 3HD1 LEU 26 3HD1 LEU 26 -0.102 3.960 -3.133 97 1HD2 LEU 26 1HD2 LEU 26 1.977 1.918 -1.596 98 2HD2 LEU 26 2HD2 LEU 26 2.174 2.735 -0.045 99 3HD2 LEU 26 3HD2 LEU 26 3.307 3.051 -1.359 100 H THR 27 H THR 27 0.513 2.737 -4.777 101 HA THR 27 HA THR 27 1.169 0.379 -3.491 102 HB THR 27 HB THR 27 -0.345 0.896 -6.046 103 HG1 THR 27 HG1 THR 27 -1.161 0.215 -3.418 104 1HG2 THR 27 1HG2 THR 27 -1.361 -1.369 -5.650 105 2HG2 THR 27 2HG2 THR 27 0.012 -1.706 -4.596 106 3HG2 THR 27 3HG2 THR 27 0.276 -1.359 -6.305 107 H GLU 28 H GLU 28 1.400 0.583 -7.023 108 HA GLU 28 HA GLU 28 3.299 -1.464 -7.245 109 1HB GLU 28 1HB GLU 28 2.717 0.760 -9.205 110 2HB GLU 28 2HB GLU 28 3.537 -0.751 -9.575 111 1HG GLU 28 1HG GLU 28 1.358 -1.845 -8.681 112 2HG GLU 28 2HG GLU 28 0.656 -0.256 -8.984 113 H ARG 29 H ARG 29 3.676 2.015 -6.931 114 HA ARG 29 HA ARG 29 6.406 2.142 -7.643 115 1HB ARG 29 1HB ARG 29 4.397 3.947 -6.790 116 2HB ARG 29 2HB ARG 29 5.763 4.154 -5.704 117 1HG ARG 29 1HG ARG 29 5.933 4.255 -8.708 118 2HG ARG 29 2HG ARG 29 5.817 5.664 -7.653 119 1HD ARG 29 1HD ARG 29 8.019 5.637 -7.377 120 2HD ARG 29 2HD ARG 29 7.913 4.022 -6.676 121 HE ARG 29 HE ARG 29 7.831 3.567 -9.350 122 1HH1 ARG 29 1HH1 ARG 29 10.020 5.312 -7.266 123 2HH1 ARG 29 2HH1 ARG 29 11.404 5.016 -8.264 124 1HH2 ARG 29 1HH2 ARG 29 9.650 3.177 -10.664 125 2HH2 ARG 29 2HH2 ARG 29 11.194 3.806 -10.194 126 H ARG 30 H ARG 30 4.812 1.943 -4.469 127 HA ARG 30 HA ARG 30 7.332 1.719 -3.092 128 1HB ARG 30 1HB ARG 30 5.034 2.701 -2.263 129 2HB ARG 30 2HB ARG 30 4.729 1.034 -1.796 130 1HG ARG 30 1HG ARG 30 6.206 1.096 -0.098 131 2HG ARG 30 2HG ARG 30 7.332 2.136 -0.972 132 1HD ARG 30 1HD ARG 30 4.986 3.643 -0.487 133 2HD ARG 30 2HD ARG 30 5.417 2.840 1.022 134 HE ARG 30 HE ARG 30 7.754 3.925 0.032 135 1HH1 ARG 30 1HH1 ARG 30 4.636 5.104 1.063 136 2HH1 ARG 30 2HH1 ARG 30 5.249 6.636 1.588 137 1HH2 ARG 30 1HH2 ARG 30 8.563 5.939 0.721 138 2HH2 ARG 30 2HH2 ARG 30 7.479 7.111 1.392 139 H ARG 31 H ARG 31 4.987 -0.467 -4.422 140 HA ARG 31 HA ARG 31 5.582 -2.747 -2.886 141 1HB ARG 31 1HB ARG 31 4.259 -2.223 -5.489 142 2HB ARG 31 2HB ARG 31 4.833 -3.860 -5.212 143 1HG ARG 31 1HG ARG 31 3.559 -3.829 -3.046 144 2HG ARG 31 2HG ARG 31 2.838 -2.312 -3.585 145 1HD ARG 31 1HD ARG 31 1.422 -4.280 -4.059 146 2HD ARG 31 2HD ARG 31 1.881 -3.395 -5.512 147 HE ARG 31 HE ARG 31 2.770 -6.057 -4.722 148 1HH1 ARG 31 1HH1 ARG 31 3.043 -3.390 -6.964 149 2HH1 ARG 31 2HH1 ARG 31 3.791 -4.345 -8.198 150 1HH2 ARG 31 1HH2 ARG 31 3.755 -7.307 -6.347 151 2HH2 ARG 31 2HH2 ARG 31 4.195 -6.565 -7.849 152 H GLN 32 H GLN 32 6.959 -1.548 -5.925 153 HA GLN 32 HA GLN 32 8.713 -3.769 -6.264 154 1HB GLN 32 1HB GLN 32 9.734 -2.472 -8.039 155 2HB GLN 32 2HB GLN 32 7.985 -2.338 -8.141 156 1HG GLN 32 1HG GLN 32 8.420 -0.157 -8.385 157 2HG GLN 32 2HG GLN 32 8.540 -0.183 -6.627 158 1HE2 GLN 32 1HE2 GLN 32 9.893 1.286 -8.989 159 2HE2 GLN 32 2HE2 GLN 32 11.566 1.245 -8.561 160 H GLN 33 H GLN 33 9.008 -0.591 -4.780 161 HA GLN 33 HA GLN 33 11.825 -0.814 -4.311 162 1HB GLN 33 1HB GLN 33 9.674 1.095 -3.490 163 2HB GLN 33 2HB GLN 33 11.212 1.125 -2.639 164 1HG GLN 33 1HG GLN 33 12.354 1.928 -4.437 165 2HG GLN 33 2HG GLN 33 11.265 1.180 -5.604 166 1HE2 GLN 33 1HE2 GLN 33 10.662 3.358 -2.877 167 2HE2 GLN 33 2HE2 GLN 33 9.889 4.591 -3.807 168 H LEU 34 H LEU 34 8.901 -1.392 -2.421 169 HA LEU 34 HA LEU 34 10.170 -1.821 0.060 170 1HB LEU 34 1HB LEU 34 7.522 -2.590 -1.099 171 2HB LEU 34 2HB LEU 34 8.019 -3.259 0.443 172 HG LEU 34 HG LEU 34 7.568 -0.354 -0.226 173 1HD1 LEU 34 1HD1 LEU 34 5.778 -2.237 0.536 174 2HD1 LEU 34 2HD1 LEU 34 5.632 -0.517 0.898 175 3HD1 LEU 34 3HD1 LEU 34 6.305 -1.618 2.099 176 1HD2 LEU 34 1HD2 LEU 34 8.023 -0.313 2.408 177 2HD2 LEU 34 2HD2 LEU 34 9.287 -0.027 1.213 178 3HD2 LEU 34 3HD2 LEU 34 9.117 -1.619 1.952 179 H SER 35 H SER 35 9.452 -3.946 -2.646 180 HA SER 35 HA SER 35 10.034 -6.391 -1.401 181 1HB SER 35 1HB SER 35 10.256 -7.300 -3.637 182 2HB SER 35 2HB SER 35 8.925 -6.143 -3.626 183 HG SER 35 HG SER 35 9.973 -5.321 -5.258 184 H SER 36 H SER 36 12.111 -4.311 -3.418 185 HA SER 36 HA SER 36 14.460 -5.844 -2.994 186 1HB SER 36 1HB SER 36 15.633 -3.856 -3.947 187 2HB SER 36 2HB SER 36 14.284 -4.411 -4.938 188 HG SER 36 HG SER 36 13.432 -2.518 -4.700 189 H GLU 37 H GLU 37 13.094 -3.010 -1.407 190 HA GLU 37 HA GLU 37 15.337 -2.411 0.206 191 1HB GLU 37 1HB GLU 37 12.415 -1.724 0.392 192 2HB GLU 37 2HB GLU 37 13.558 -1.212 1.625 193 1HG GLU 37 1HG GLU 37 13.857 -0.577 -1.298 194 2HG GLU 37 2HG GLU 37 13.069 0.486 -0.133 195 H LEU 38 H LEU 38 12.352 -4.224 0.897 196 HA LEU 38 HA LEU 38 13.331 -4.969 3.518 197 1HB LEU 38 1HB LEU 38 10.810 -5.533 1.987 198 2HB LEU 38 2HB LEU 38 11.174 -6.379 3.478 199 HG LEU 38 HG LEU 38 11.173 -4.302 4.720 200 1HD1 LEU 38 1HD1 LEU 38 12.088 -2.740 3.210 201 2HD1 LEU 38 2HD1 LEU 38 10.435 -2.205 3.513 202 3HD1 LEU 38 3HD1 LEU 38 10.829 -3.043 2.013 203 1HD2 LEU 38 1HD2 LEU 38 8.843 -5.013 3.021 204 2HD2 LEU 38 2HD2 LEU 38 8.757 -3.530 3.971 205 3HD2 LEU 38 3HD2 LEU 38 9.029 -5.077 4.774 206 H GLY 39 H GLY 39 13.401 -6.261 0.332 207 1HA GLY 39 1HA GLY 39 14.492 -8.130 -0.464 208 2HA GLY 39 2HA GLY 39 15.011 -8.468 1.181 209 H LEU 40 H LEU 40 11.643 -8.054 0.393 210 HA LEU 40 HA LEU 40 11.233 -10.918 0.928 211 1HB LEU 40 1HB LEU 40 8.771 -9.960 1.256 212 2HB LEU 40 2HB LEU 40 9.951 -9.990 2.554 213 HG LEU 40 HG LEU 40 10.524 -7.597 1.904 214 1HD1 LEU 40 1HD1 LEU 40 7.836 -7.591 0.586 215 2HD1 LEU 40 2HD1 LEU 40 9.303 -7.901 -0.342 216 3HD1 LEU 40 3HD1 LEU 40 9.112 -6.374 0.520 217 1HD2 LEU 40 1HD2 LEU 40 8.121 -6.874 2.849 218 2HD2 LEU 40 2HD2 LEU 40 9.384 -7.580 3.857 219 3HD2 LEU 40 3HD2 LEU 40 8.083 -8.595 3.233 220 H ASN 41 H ASN 41 9.338 -11.903 -0.164 221 HA ASN 41 HA ASN 41 9.420 -11.239 -2.985 222 1HB ASN 41 1HB ASN 41 9.340 -13.619 -1.676 223 2HB ASN 41 2HB ASN 41 7.637 -13.411 -2.074 224 1HD2 ASN 41 1HD2 ASN 41 7.193 -12.828 -4.371 225 2HD2 ASN 41 2HD2 ASN 41 8.144 -13.607 -5.585 226 H GLU 42 H GLU 42 7.556 -10.885 -4.269 227 HA GLU 42 HA GLU 42 5.748 -9.009 -3.331 228 1HB GLU 42 1HB GLU 42 5.362 -10.973 -5.600 229 2HB GLU 42 2HB GLU 42 4.447 -9.488 -5.372 230 1HG GLU 42 1HG GLU 42 6.352 -8.144 -5.802 231 2HG GLU 42 2HG GLU 42 7.430 -9.538 -5.733 232 H ALA 43 H ALA 43 5.624 -12.488 -3.211 233 HA ALA 43 HA ALA 43 2.888 -12.881 -2.747 234 1HB ALA 43 1HB ALA 43 3.750 -14.924 -1.407 235 2HB ALA 43 2HB ALA 43 5.343 -14.417 -1.971 236 3HB ALA 43 3HB ALA 43 4.087 -14.838 -3.136 237 H GLN 44 H GLN 44 5.507 -11.901 -0.653 238 HA GLN 44 HA GLN 44 3.927 -11.968 1.766 239 1HB GLN 44 1HB GLN 44 6.651 -10.850 1.095 240 2HB GLN 44 2HB GLN 44 5.932 -10.725 2.695 241 1HG GLN 44 1HG GLN 44 6.426 -13.335 1.287 242 2HG GLN 44 2HG GLN 44 7.564 -12.591 2.409 243 1HE2 GLN 44 1HE2 GLN 44 6.101 -11.711 4.427 244 2HE2 GLN 44 2HE2 GLN 44 5.228 -12.991 5.190 245 H ILE 45 H ILE 45 4.767 -9.777 -0.758 246 HA ILE 45 HA ILE 45 4.154 -7.323 0.479 247 HB ILE 45 HB ILE 45 4.193 -8.160 -2.420 248 1HG1 ILE 45 1HG1 ILE 45 6.329 -8.154 -1.075 249 2HG1 ILE 45 2HG1 ILE 45 6.340 -7.116 -2.498 250 1HG2 ILE 45 1HG2 ILE 45 3.958 -5.936 -3.124 251 2HG2 ILE 45 2HG2 ILE 45 4.148 -5.311 -1.490 252 3HG2 ILE 45 3HG2 ILE 45 2.678 -6.172 -1.937 253 1HD1 ILE 45 1HD1 ILE 45 6.066 -6.289 0.375 254 2HD1 ILE 45 2HD1 ILE 45 5.793 -5.199 -0.984 255 3HD1 ILE 45 3HD1 ILE 45 7.381 -5.929 -0.743 256 H LYS 46 H LYS 46 2.182 -9.643 -1.342 257 HA LYS 46 HA LYS 46 -0.137 -8.087 -1.588 258 1HB LYS 46 1HB LYS 46 0.569 -10.576 -2.400 259 2HB LYS 46 2HB LYS 46 -0.515 -10.978 -1.075 260 1HG LYS 46 1HG LYS 46 -2.001 -9.133 -2.350 261 2HG LYS 46 2HG LYS 46 -1.094 -9.802 -3.709 262 1HD LYS 46 1HD LYS 46 -2.365 -11.659 -1.749 263 2HD LYS 46 2HD LYS 46 -3.372 -10.869 -2.965 264 1HE LYS 46 1HE LYS 46 -2.559 -12.136 -4.627 265 2HE LYS 46 2HE LYS 46 -0.903 -12.016 -4.034 266 1HZ LYS 46 1HZ LYS 46 -1.270 -14.203 -3.653 267 2HZ LYS 46 2HZ LYS 46 -2.941 -14.026 -3.464 268 3HZ LYS 46 3HZ LYS 46 -1.899 -13.613 -2.198 269 H ILE 47 H ILE 47 0.816 -10.421 0.897 270 HA ILE 47 HA ILE 47 -1.428 -9.975 2.593 271 HB ILE 47 HB ILE 47 1.150 -11.421 2.768 272 1HG1 ILE 47 1HG1 ILE 47 -0.837 -12.823 4.115 273 2HG1 ILE 47 2HG1 ILE 47 -1.712 -11.963 2.852 274 1HG2 ILE 47 1HG2 ILE 47 0.825 -11.822 5.229 275 2HG2 ILE 47 2HG2 ILE 47 -0.282 -10.450 5.230 276 3HG2 ILE 47 3HG2 ILE 47 1.412 -10.215 4.795 277 1HD1 ILE 47 1HD1 ILE 47 0.760 -13.354 2.038 278 2HD1 ILE 47 2HD1 ILE 47 -0.780 -13.179 1.196 279 3HD1 ILE 47 3HD1 ILE 47 -0.613 -14.361 2.495 280 H TRP 48 H TRP 48 1.867 -8.786 2.481 281 HA TRP 48 HA TRP 48 1.943 -7.297 4.833 282 1HB TRP 48 1HB TRP 48 3.906 -7.863 3.484 283 2HB TRP 48 2HB TRP 48 3.314 -6.868 2.168 284 HD1 TRP 48 HD1 TRP 48 5.602 -6.788 5.037 285 HE1 TRP 48 HE1 TRP 48 6.456 -4.397 5.423 286 HE3 TRP 48 HE3 TRP 48 2.296 -4.209 2.130 287 HZ2 TRP 48 HZ2 TRP 48 5.828 -1.784 4.642 288 HZ3 TRP 48 HZ3 TRP 48 2.486 -1.769 2.008 289 HH2 TRP 48 HH2 TRP 48 4.225 -0.586 3.227 290 H PHE 49 H PHE 49 1.132 -6.286 1.535 291 HA PHE 49 HA PHE 49 0.440 -3.638 2.309 292 1HB PHE 49 1HB PHE 49 0.260 -5.214 -0.206 293 2HB PHE 49 2HB PHE 49 -0.749 -3.769 -0.061 294 HD1 PHE 49 HD1 PHE 49 2.671 -5.042 -0.155 295 HD2 PHE 49 HD2 PHE 49 0.216 -1.584 0.069 296 HE1 PHE 49 HE1 PHE 49 4.645 -3.635 -0.558 297 HE2 PHE 49 HE2 PHE 49 2.189 -0.156 -0.347 298 HZ PHE 49 HZ PHE 49 4.414 -1.195 -0.633 299 H GLN 50 H GLN 50 -1.432 -6.551 1.690 300 HA GLN 50 HA GLN 50 -3.947 -5.325 1.990 301 1HB GLN 50 1HB GLN 50 -2.995 -8.171 2.192 302 2HB GLN 50 2HB GLN 50 -4.665 -7.752 2.543 303 1HG GLN 50 1HG GLN 50 -3.981 -6.537 0.083 304 2HG GLN 50 2HG GLN 50 -3.429 -8.210 0.029 305 1HE2 GLN 50 1HE2 GLN 50 -4.962 -9.883 0.350 306 2HE2 GLN 50 2HE2 GLN 50 -6.639 -9.618 0.031 307 H ASN 51 H ASN 51 -1.608 -6.602 4.259 308 HA ASN 51 HA ASN 51 -3.389 -6.657 6.501 309 1HB ASN 51 1HB ASN 51 -0.456 -6.999 6.085 310 2HB ASN 51 2HB ASN 51 -1.019 -6.616 7.709 311 1HD2 ASN 51 1HD2 ASN 51 0.241 -8.954 7.309 312 2HD2 ASN 51 2HD2 ASN 51 -0.873 -10.271 7.399 313 H LYS 52 H LYS 52 -1.213 -4.309 5.085 314 HA LYS 52 HA LYS 52 -1.234 -2.495 7.280 315 1HB LYS 52 1HB LYS 52 0.131 -2.709 4.850 316 2HB LYS 52 2HB LYS 52 -0.792 -1.219 4.713 317 1HG LYS 52 1HG LYS 52 1.043 -0.355 5.693 318 2HG LYS 52 2HG LYS 52 0.215 -0.871 7.164 319 1HD LYS 52 1HD LYS 52 2.185 -2.601 5.680 320 2HD LYS 52 2HD LYS 52 2.647 -1.518 6.995 321 1HE LYS 52 1HE LYS 52 1.270 -2.703 8.547 322 2HE LYS 52 2HE LYS 52 0.546 -3.661 7.256 323 1HZ LYS 52 1HZ LYS 52 2.087 -5.134 7.967 324 2HZ LYS 52 2HZ LYS 52 3.143 -3.948 8.550 325 3HZ LYS 52 3HZ LYS 52 3.080 -4.283 6.893 326 H ARG 53 H ARG 53 -3.272 -3.000 4.488 327 HA ARG 53 HA ARG 53 -4.712 -0.523 4.825 328 1HB ARG 53 1HB ARG 53 -4.660 -2.728 2.892 329 2HB ARG 53 2HB ARG 53 -6.271 -2.088 3.187 330 1HG ARG 53 1HG ARG 53 -4.309 0.015 2.815 331 2HG ARG 53 2HG ARG 53 -4.396 -1.080 1.434 332 1HD ARG 53 1HD ARG 53 -6.753 0.305 2.711 333 2HD ARG 53 2HD ARG 53 -5.943 0.833 1.237 334 HE ARG 53 HE ARG 53 -6.632 -1.716 0.670 335 1HH1 ARG 53 1HH1 ARG 53 -8.432 1.013 1.894 336 2HH1 ARG 53 2HH1 ARG 53 -9.926 0.506 1.181 337 1HH2 ARG 53 1HH2 ARG 53 -8.596 -2.383 -0.269 338 2HH2 ARG 53 2HH2 ARG 53 -10.020 -1.421 -0.048 339 H ALA 54 H ALA 54 -5.020 -3.834 5.854 340 HA ALA 54 HA ALA 54 -7.769 -3.753 6.561 341 1HB ALA 54 1HB ALA 54 -6.005 -5.558 8.084 342 2HB ALA 54 2HB ALA 54 -5.969 -5.740 6.330 343 3HB ALA 54 3HB ALA 54 -7.493 -5.898 7.202 344 H LYS 55 H LYS 55 -4.977 -3.972 8.770 345 HA LYS 55 HA LYS 55 -6.414 -3.087 11.023 346 1HB LYS 55 1HB LYS 55 -3.618 -3.707 10.371 347 2HB LYS 55 2HB LYS 55 -3.807 -2.500 11.635 348 1HG LYS 55 1HG LYS 55 -4.964 -5.279 11.620 349 2HG LYS 55 2HG LYS 55 -3.626 -4.694 12.610 350 1HD LYS 55 1HD LYS 55 -5.881 -2.973 12.973 351 2HD LYS 55 2HD LYS 55 -6.390 -4.647 13.201 352 1HE LYS 55 1HE LYS 55 -4.003 -3.396 14.552 353 2HE LYS 55 2HE LYS 55 -5.603 -3.520 15.282 354 1HZ LYS 55 1HZ LYS 55 -4.143 -5.892 14.281 355 2HZ LYS 55 2HZ LYS 55 -5.463 -5.844 15.338 356 3HZ LYS 55 3HZ LYS 55 -3.944 -5.316 15.860 357 H ILE 56 H ILE 56 -4.205 -1.378 8.830 358 HA ILE 56 HA ILE 56 -3.947 0.835 8.357 359 HB ILE 56 HB ILE 56 -6.516 1.330 9.855 360 1HG1 ILE 56 1HG1 ILE 56 -6.221 0.648 6.924 361 2HG1 ILE 56 2HG1 ILE 56 -6.730 -0.506 8.152 362 1HG2 ILE 56 1HG2 ILE 56 -6.694 3.157 8.114 363 2HG2 ILE 56 2HG2 ILE 56 -5.009 2.817 7.721 364 3HG2 ILE 56 3HG2 ILE 56 -5.443 3.367 9.339 365 1HD1 ILE 56 1HD1 ILE 56 -8.532 0.637 6.760 366 2HD1 ILE 56 2HD1 ILE 56 -8.192 2.071 7.728 367 3HD1 ILE 56 3HD1 ILE 56 -8.753 0.593 8.509 368 H LYS 57 H LYS 57 -2.179 1.383 9.518 369 HA LYS 57 HA LYS 57 -0.863 2.099 11.236 370 1HB LYS 57 1HB LYS 57 -1.360 4.249 11.935 371 2HB LYS 57 2HB LYS 57 -2.311 4.108 10.466 372 1HG LYS 57 1HG LYS 57 -3.978 3.246 12.558 373 2HG LYS 57 2HG LYS 57 -3.161 4.695 13.137 374 1HD LYS 57 1HD LYS 57 -4.061 6.026 11.472 375 2HD LYS 57 2HD LYS 57 -4.359 4.657 10.399 376 1HE LYS 57 1HE LYS 57 -5.964 3.967 12.421 377 2HE LYS 57 2HE LYS 57 -5.988 5.717 12.634 378 1HZ LYS 57 1HZ LYS 57 -7.461 4.224 10.831 379 2HZ LYS 57 2HZ LYS 57 -6.324 5.064 9.903 380 3HZ LYS 57 3HZ LYS 57 -7.367 5.911 10.930 381 H LYS 58 H LYS 58 -1.251 3.038 13.746 382 HA LYS 58 HA LYS 58 -2.641 0.832 15.119 383 1HB LYS 58 1HB LYS 58 0.058 1.132 15.070 384 2HB LYS 58 2HB LYS 58 -0.343 2.063 16.506 385 1HG LYS 58 1HG LYS 58 -0.942 0.239 17.690 386 2HG LYS 58 2HG LYS 58 -1.609 -0.591 16.283 387 1HD LYS 58 1HD LYS 58 1.044 -0.519 15.668 388 2HD LYS 58 2HD LYS 58 1.094 -0.679 17.425 389 1HE LYS 58 1HE LYS 58 0.867 -2.873 17.041 390 2HE LYS 58 2HE LYS 58 -0.829 -2.495 16.745 391 1HZ LYS 58 1HZ LYS 58 -0.590 -2.731 14.517 392 2HZ LYS 58 2HZ LYS 58 0.640 -3.788 14.998 393 3HZ LYS 58 3HZ LYS 58 1.022 -2.217 14.502 394 H SER 59 H SER 59 -1.516 4.181 15.342 395 HA SER 59 HA SER 59 -2.321 5.990 16.458 396 1HB SER 59 1HB SER 59 -4.709 4.276 16.087 397 2HB SER 59 2HB SER 59 -4.846 5.536 17.313 398 HG SER 59 HG SER 59 -5.087 6.897 15.747 Start of MODEL 2 1 1H ALA 16 1H ALA 16 -22.642 11.347 -10.281 2 2H ALA 16 2H ALA 16 -21.209 10.598 -10.855 3 3H ALA 16 3H ALA 16 -21.126 11.761 -9.596 4 HA ALA 16 HA ALA 16 -22.069 10.381 -8.066 5 1HB ALA 16 1HB ALA 16 -22.832 8.021 -9.060 6 2HB ALA 16 2HB ALA 16 -23.162 9.037 -10.463 7 3HB ALA 16 3HB ALA 16 -23.925 9.397 -8.914 8 H LYS 17 H LYS 17 -20.769 9.050 -6.906 9 HA LYS 17 HA LYS 17 -18.928 7.843 -6.339 10 1HB LYS 17 1HB LYS 17 -19.974 6.609 -8.751 11 2HB LYS 17 2HB LYS 17 -18.234 6.392 -8.620 12 1HG LYS 17 1HG LYS 17 -19.036 5.790 -6.096 13 2HG LYS 17 2HG LYS 17 -20.405 5.216 -7.049 14 1HD LYS 17 1HD LYS 17 -18.847 3.923 -8.457 15 2HD LYS 17 2HD LYS 17 -17.510 4.460 -7.440 16 1HE LYS 17 1HE LYS 17 -18.101 2.296 -6.684 17 2HE LYS 17 2HE LYS 17 -18.727 3.432 -5.490 18 1HZ LYS 17 1HZ LYS 17 -20.826 3.221 -7.099 19 2HZ LYS 17 2HZ LYS 17 -20.583 2.212 -5.764 20 3HZ LYS 17 3HZ LYS 17 -20.160 1.681 -7.313 21 H ARG 18 H ARG 18 -16.661 7.066 -7.588 22 HA ARG 18 HA ARG 18 -15.585 9.087 -9.301 23 1HB ARG 18 1HB ARG 18 -15.657 9.884 -6.719 24 2HB ARG 18 2HB ARG 18 -14.107 9.054 -6.737 25 1HG ARG 18 1HG ARG 18 -13.266 10.487 -8.437 26 2HG ARG 18 2HG ARG 18 -14.861 11.190 -8.716 27 1HD ARG 18 1HD ARG 18 -14.403 11.583 -6.008 28 2HD ARG 18 2HD ARG 18 -12.838 11.887 -6.758 29 HE ARG 18 HE ARG 18 -13.687 13.813 -7.643 30 1HH1 ARG 18 1HH1 ARG 18 -16.346 11.769 -6.677 31 2HH1 ARG 18 2HH1 ARG 18 -17.550 12.974 -6.994 32 1HH2 ARG 18 1HH2 ARG 18 -15.269 15.398 -8.058 33 2HH2 ARG 18 2HH2 ARG 18 -16.938 15.034 -7.778 34 H GLU 19 H GLU 19 -14.864 6.534 -6.951 35 HA GLU 19 HA GLU 19 -13.477 4.735 -7.034 36 1HB GLU 19 1HB GLU 19 -14.335 5.165 -9.743 37 2HB GLU 19 2HB GLU 19 -12.671 4.596 -9.741 38 1HG GLU 19 1HG GLU 19 -13.817 2.621 -9.815 39 2HG GLU 19 2HG GLU 19 -13.581 2.809 -8.079 40 H PHE 20 H PHE 20 -11.188 4.046 -7.878 41 HA PHE 20 HA PHE 20 -9.393 6.217 -8.460 42 1HB PHE 20 1HB PHE 20 -8.052 5.972 -6.396 43 2HB PHE 20 2HB PHE 20 -9.672 6.574 -6.068 44 HD1 PHE 20 HD1 PHE 20 -7.768 3.375 -6.212 45 HD2 PHE 20 HD2 PHE 20 -10.900 5.601 -4.384 46 HE1 PHE 20 HE1 PHE 20 -8.109 1.556 -4.590 47 HE2 PHE 20 HE2 PHE 20 -11.246 3.787 -2.758 48 HZ PHE 20 HZ PHE 20 -9.850 1.761 -2.859 49 H ASN 21 H ASN 21 -6.998 5.219 -7.872 50 HA ASN 21 HA ASN 21 -6.740 3.033 -9.693 51 1HB ASN 21 1HB ASN 21 -4.528 4.014 -7.913 52 2HB ASN 21 2HB ASN 21 -4.424 3.350 -9.539 53 1HD2 ASN 21 1HD2 ASN 21 -4.347 4.707 -11.197 54 2HD2 ASN 21 2HD2 ASN 21 -4.636 6.408 -11.112 55 H GLU 22 H GLU 22 -7.592 1.156 -8.961 56 HA GLU 22 HA GLU 22 -7.490 0.209 -6.327 57 1HB GLU 22 1HB GLU 22 -8.549 -0.673 -8.775 58 2HB GLU 22 2HB GLU 22 -7.487 -1.965 -8.231 59 1HG GLU 22 1HG GLU 22 -8.751 -2.418 -6.383 60 2HG GLU 22 2HG GLU 22 -9.393 -0.779 -6.285 61 H ASN 23 H ASN 23 -5.394 0.500 -5.549 62 HA ASN 23 HA ASN 23 -3.237 -0.030 -5.085 63 1HB ASN 23 1HB ASN 23 -3.765 -2.732 -6.274 64 2HB ASN 23 2HB ASN 23 -2.686 -2.305 -4.954 65 1HD2 ASN 23 1HD2 ASN 23 -3.612 -1.722 -2.927 66 2HD2 ASN 23 2HD2 ASN 23 -5.175 -2.305 -2.479 67 H ARG 24 H ARG 24 -2.627 1.434 -6.748 68 HA ARG 24 HA ARG 24 -0.842 0.233 -8.674 69 1HB ARG 24 1HB ARG 24 -3.191 1.933 -9.531 70 2HB ARG 24 2HB ARG 24 -1.791 1.642 -10.553 71 1HG ARG 24 1HG ARG 24 -3.547 -0.534 -9.444 72 2HG ARG 24 2HG ARG 24 -3.754 0.195 -11.035 73 1HD ARG 24 1HD ARG 24 -1.135 -1.001 -10.193 74 2HD ARG 24 2HD ARG 24 -2.423 -1.995 -10.871 75 HE ARG 24 HE ARG 24 -0.735 -0.145 -12.279 76 1HH1 ARG 24 1HH1 ARG 24 -3.815 -1.788 -12.296 77 2HH1 ARG 24 2HH1 ARG 24 -4.010 -1.668 -14.012 78 1HH2 ARG 24 1HH2 ARG 24 -0.993 0.015 -14.537 79 2HH2 ARG 24 2HH2 ARG 24 -2.409 -0.646 -15.285 80 H TYR 25 H TYR 25 -2.444 3.357 -8.197 81 HA TYR 25 HA TYR 25 -0.629 5.189 -8.804 82 1HB TYR 25 1HB TYR 25 -1.517 6.623 -7.025 83 2HB TYR 25 2HB TYR 25 -2.811 5.698 -7.786 84 HD1 TYR 25 HD1 TYR 25 -3.202 3.308 -6.575 85 HD2 TYR 25 HD2 TYR 25 -1.597 6.785 -4.724 86 HE1 TYR 25 HE1 TYR 25 -3.860 2.430 -4.384 87 HE2 TYR 25 HE2 TYR 25 -2.256 5.917 -2.519 88 HH TYR 25 HH TYR 25 -4.333 3.218 -2.151 89 H LEU 26 H LEU 26 -0.567 3.456 -5.700 90 HA LEU 26 HA LEU 26 2.242 4.281 -5.402 91 1HB LEU 26 1HB LEU 26 1.944 4.910 -3.259 92 2HB LEU 26 2HB LEU 26 0.299 5.160 -3.795 93 HG LEU 26 HG LEU 26 0.147 4.085 -1.705 94 1HD1 LEU 26 1HD1 LEU 26 -1.383 2.593 -2.303 95 2HD1 LEU 26 2HD1 LEU 26 -0.193 1.564 -3.099 96 3HD1 LEU 26 3HD1 LEU 26 -0.906 2.923 -3.967 97 1HD2 LEU 26 1HD2 LEU 26 1.604 2.613 -0.854 98 2HD2 LEU 26 2HD2 LEU 26 2.638 3.121 -2.189 99 3HD2 LEU 26 3HD2 LEU 26 1.663 1.659 -2.336 100 H THR 27 H THR 27 0.003 1.704 -5.494 101 HA THR 27 HA THR 27 1.213 -0.251 -3.964 102 HB THR 27 HB THR 27 -0.381 -0.399 -6.512 103 HG1 THR 27 HG1 THR 27 -0.925 -0.932 -3.786 104 1HG2 THR 27 1HG2 THR 27 -0.626 -2.867 -5.315 105 2HG2 THR 27 2HG2 THR 27 1.109 -2.553 -5.283 106 3HG2 THR 27 3HG2 THR 27 0.232 -2.506 -6.812 107 H GLU 28 H GLU 28 1.423 -0.441 -7.495 108 HA GLU 28 HA GLU 28 3.648 -2.039 -7.645 109 1HB GLU 28 1HB GLU 28 2.782 0.119 -9.572 110 2HB GLU 28 2HB GLU 28 3.947 -1.145 -9.945 111 1HG GLU 28 1HG GLU 28 1.555 -2.321 -8.906 112 2HG GLU 28 2HG GLU 28 1.156 -1.224 -10.227 113 H ARG 29 H ARG 29 3.537 1.450 -7.243 114 HA ARG 29 HA ARG 29 6.276 1.930 -7.787 115 1HB ARG 29 1HB ARG 29 4.326 3.606 -7.699 116 2HB ARG 29 2HB ARG 29 4.594 3.627 -5.961 117 1HG ARG 29 1HG ARG 29 7.024 4.015 -7.541 118 2HG ARG 29 2HG ARG 29 5.804 5.270 -7.766 119 1HD ARG 29 1HD ARG 29 5.753 5.738 -5.425 120 2HD ARG 29 2HD ARG 29 6.755 4.332 -5.066 121 HE ARG 29 HE ARG 29 8.607 5.574 -5.569 122 1HH1 ARG 29 1HH1 ARG 29 5.796 7.185 -6.865 123 2HH1 ARG 29 2HH1 ARG 29 6.670 8.606 -7.330 124 1HH2 ARG 29 1HH2 ARG 29 9.759 7.442 -6.179 125 2HH2 ARG 29 2HH2 ARG 29 8.920 8.752 -6.941 126 H ARG 30 H ARG 30 4.504 1.550 -4.719 127 HA ARG 30 HA ARG 30 6.931 1.689 -3.174 128 1HB ARG 30 1HB ARG 30 4.355 2.233 -2.580 129 2HB ARG 30 2HB ARG 30 4.477 0.607 -1.923 130 1HG ARG 30 1HG ARG 30 6.152 1.227 -0.402 131 2HG ARG 30 2HG ARG 30 6.474 2.742 -1.247 132 1HD ARG 30 1HD ARG 30 3.772 2.854 -0.579 133 2HD ARG 30 2HD ARG 30 4.558 2.159 0.838 134 HE ARG 30 HE ARG 30 5.535 4.187 1.245 135 1HH1 ARG 30 1HH1 ARG 30 4.320 4.163 -2.026 136 2HH1 ARG 30 2HH1 ARG 30 4.628 5.847 -2.286 137 1HH2 ARG 30 1HH2 ARG 30 5.942 6.402 0.905 138 2HH2 ARG 30 2HH2 ARG 30 5.550 7.118 -0.623 139 H ARG 31 H ARG 31 4.904 -0.823 -4.496 140 HA ARG 31 HA ARG 31 5.785 -2.976 -2.921 141 1HB ARG 31 1HB ARG 31 4.619 -2.785 -5.684 142 2HB ARG 31 2HB ARG 31 5.120 -4.333 -5.018 143 1HG ARG 31 1HG ARG 31 3.614 -3.748 -3.031 144 2HG ARG 31 2HG ARG 31 2.934 -2.510 -4.086 145 1HD ARG 31 1HD ARG 31 2.944 -5.491 -4.488 146 2HD ARG 31 2HD ARG 31 1.553 -4.425 -4.305 147 HE ARG 31 HE ARG 31 3.071 -3.675 -6.568 148 1HH1 ARG 31 1HH1 ARG 31 0.870 -6.142 -5.452 149 2HH1 ARG 31 2HH1 ARG 31 0.281 -6.510 -7.039 150 1HH2 ARG 31 1HH2 ARG 31 2.299 -4.158 -8.655 151 2HH2 ARG 31 2HH2 ARG 31 1.094 -5.386 -8.857 152 H GLN 32 H GLN 32 7.010 -1.660 -5.973 153 HA GLN 32 HA GLN 32 8.993 -3.624 -6.388 154 1HB GLN 32 1HB GLN 32 8.018 -1.539 -7.848 155 2HB GLN 32 2HB GLN 32 9.590 -0.912 -7.374 156 1HG GLN 32 1HG GLN 32 10.707 -2.769 -8.387 157 2HG GLN 32 2HG GLN 32 9.172 -3.576 -8.705 158 1HE2 GLN 32 1HE2 GLN 32 10.523 -0.336 -9.251 159 2HE2 GLN 32 2HE2 GLN 32 10.076 -0.245 -10.918 160 H GLN 33 H GLN 33 9.080 -0.464 -4.793 161 HA GLN 33 HA GLN 33 11.876 -0.615 -4.203 162 1HB GLN 33 1HB GLN 33 9.990 1.398 -4.227 163 2HB GLN 33 2HB GLN 33 10.301 1.179 -2.511 164 1HG GLN 33 1HG GLN 33 12.819 1.181 -3.689 165 2HG GLN 33 2HG GLN 33 11.921 2.440 -4.536 166 1HE2 GLN 33 1HE2 GLN 33 10.302 3.413 -2.586 167 2HE2 GLN 33 2HE2 GLN 33 11.246 4.133 -1.331 168 H LEU 34 H LEU 34 8.901 -1.237 -2.385 169 HA LEU 34 HA LEU 34 10.127 -1.648 0.118 170 1HB LEU 34 1HB LEU 34 7.508 -2.464 -1.079 171 2HB LEU 34 2HB LEU 34 7.987 -3.098 0.484 172 HG LEU 34 HG LEU 34 7.527 -0.207 -0.242 173 1HD1 LEU 34 1HD1 LEU 34 5.691 -2.032 0.428 174 2HD1 LEU 34 2HD1 LEU 34 5.583 -0.337 0.903 175 3HD1 LEU 34 3HD1 LEU 34 6.204 -1.533 2.040 176 1HD2 LEU 34 1HD2 LEU 34 7.906 -0.090 2.383 177 2HD2 LEU 34 2HD2 LEU 34 9.229 0.109 1.235 178 3HD2 LEU 34 3HD2 LEU 34 8.977 -1.445 2.030 179 H SER 35 H SER 35 9.474 -3.808 -2.581 180 HA SER 35 HA SER 35 10.046 -6.236 -1.306 181 1HB SER 35 1HB SER 35 8.983 -6.156 -3.503 182 2HB SER 35 2HB SER 35 10.439 -5.453 -4.205 183 HG SER 35 HG SER 35 10.143 -8.042 -3.088 184 H SER 36 H SER 36 12.162 -4.074 -3.183 185 HA SER 36 HA SER 36 14.508 -5.617 -2.793 186 1HB SER 36 1HB SER 36 13.807 -3.041 -4.001 187 2HB SER 36 2HB SER 36 15.411 -3.058 -3.270 188 HG SER 36 HG SER 36 15.907 -4.871 -4.537 189 H GLU 37 H GLU 37 13.087 -2.896 -1.057 190 HA GLU 37 HA GLU 37 15.291 -2.393 0.639 191 1HB GLU 37 1HB GLU 37 12.871 -1.181 0.157 192 2HB GLU 37 2HB GLU 37 12.660 -1.806 1.786 193 1HG GLU 37 1HG GLU 37 15.226 -0.557 1.545 194 2HG GLU 37 2HG GLU 37 13.963 0.543 0.995 195 H LEU 38 H LEU 38 12.305 -4.263 1.154 196 HA LEU 38 HA LEU 38 13.255 -5.195 3.725 197 1HB LEU 38 1HB LEU 38 10.749 -5.635 2.132 198 2HB LEU 38 2HB LEU 38 11.098 -6.601 3.554 199 HG LEU 38 HG LEU 38 11.445 -4.103 4.558 200 1HD1 LEU 38 1HD1 LEU 38 9.676 -3.894 2.191 201 2HD1 LEU 38 2HD1 LEU 38 10.744 -2.696 2.921 202 3HD1 LEU 38 3HD1 LEU 38 9.179 -3.046 3.656 203 1HD2 LEU 38 1HD2 LEU 38 9.688 -4.638 5.875 204 2HD2 LEU 38 2HD2 LEU 38 9.864 -6.203 5.081 205 3HD2 LEU 38 3HD2 LEU 38 8.651 -5.057 4.512 206 H GLY 39 H GLY 39 13.359 -6.254 0.456 207 1HA GLY 39 1HA GLY 39 14.427 -8.068 -0.476 208 2HA GLY 39 2HA GLY 39 14.991 -8.492 1.133 209 H LEU 40 H LEU 40 11.603 -8.100 0.361 210 HA LEU 40 HA LEU 40 11.249 -10.991 0.785 211 1HB LEU 40 1HB LEU 40 8.760 -10.007 1.141 212 2HB LEU 40 2HB LEU 40 9.919 -10.240 2.437 213 HG LEU 40 HG LEU 40 10.613 -7.817 2.058 214 1HD1 LEU 40 1HD1 LEU 40 9.171 -7.956 -0.193 215 2HD1 LEU 40 2HD1 LEU 40 9.463 -6.448 0.674 216 3HD1 LEU 40 3HD1 LEU 40 7.944 -7.316 0.900 217 1HD2 LEU 40 1HD2 LEU 40 8.150 -8.865 3.290 218 2HD2 LEU 40 2HD2 LEU 40 8.218 -7.115 3.076 219 3HD2 LEU 40 3HD2 LEU 40 9.474 -7.940 4.000 220 H ASN 41 H ASN 41 9.359 -11.955 -0.318 221 HA ASN 41 HA ASN 41 9.414 -11.238 -3.118 222 1HB ASN 41 1HB ASN 41 9.554 -13.588 -2.534 223 2HB ASN 41 2HB ASN 41 8.046 -13.492 -1.633 224 1HD2 ASN 41 1HD2 ASN 41 8.991 -12.295 -4.833 225 2HD2 ASN 41 2HD2 ASN 41 7.743 -13.119 -5.698 226 H GLU 42 H GLU 42 7.604 -10.712 -4.380 227 HA GLU 42 HA GLU 42 5.824 -8.850 -3.360 228 1HB GLU 42 1HB GLU 42 5.446 -10.655 -5.760 229 2HB GLU 42 2HB GLU 42 4.554 -9.170 -5.453 230 1HG GLU 42 1HG GLU 42 7.431 -8.775 -5.395 231 2HG GLU 42 2HG GLU 42 6.860 -9.415 -6.935 232 H ALA 43 H ALA 43 5.612 -12.325 -3.470 233 HA ALA 43 HA ALA 43 2.859 -12.673 -3.083 234 1HB ALA 43 1HB ALA 43 4.937 -14.445 -1.824 235 2HB ALA 43 2HB ALA 43 4.637 -14.446 -3.562 236 3HB ALA 43 3HB ALA 43 3.345 -14.885 -2.445 237 H GLN 44 H GLN 44 5.446 -11.849 -0.897 238 HA GLN 44 HA GLN 44 3.833 -12.060 1.496 239 1HB GLN 44 1HB GLN 44 6.599 -11.051 0.877 240 2HB GLN 44 2HB GLN 44 5.871 -10.789 2.455 241 1HG GLN 44 1HG GLN 44 6.325 -13.476 1.177 242 2HG GLN 44 2HG GLN 44 7.348 -12.742 2.412 243 1HE2 GLN 44 1HE2 GLN 44 5.629 -11.741 4.192 244 2HE2 GLN 44 2HE2 GLN 44 4.652 -12.986 4.884 245 H ILE 45 H ILE 45 4.730 -9.732 -0.877 246 HA ILE 45 HA ILE 45 4.140 -7.350 0.502 247 HB ILE 45 HB ILE 45 4.190 -8.001 -2.445 248 1HG1 ILE 45 1HG1 ILE 45 6.318 -8.120 -1.097 249 2HG1 ILE 45 2HG1 ILE 45 6.351 -6.977 -2.439 250 1HG2 ILE 45 1HG2 ILE 45 2.702 -6.062 -1.972 251 2HG2 ILE 45 2HG2 ILE 45 4.117 -5.665 -2.945 252 3HG2 ILE 45 3HG2 ILE 45 4.084 -5.252 -1.234 253 1HD1 ILE 45 1HD1 ILE 45 5.789 -5.182 -0.761 254 2HD1 ILE 45 2HD1 ILE 45 7.388 -5.912 -0.620 255 3HD1 ILE 45 3HD1 ILE 45 6.103 -6.383 0.490 256 H LYS 46 H LYS 46 2.142 -9.523 -1.473 257 HA LYS 46 HA LYS 46 -0.142 -7.921 -1.670 258 1HB LYS 46 1HB LYS 46 0.277 -10.107 -2.861 259 2HB LYS 46 2HB LYS 46 -0.127 -10.928 -1.360 260 1HG LYS 46 1HG LYS 46 -2.314 -9.473 -1.548 261 2HG LYS 46 2HG LYS 46 -1.883 -9.471 -3.260 262 1HD LYS 46 1HD LYS 46 -2.039 -11.806 -3.417 263 2HD LYS 46 2HD LYS 46 -1.984 -12.012 -1.665 264 1HE LYS 46 1HE LYS 46 -4.216 -12.278 -1.941 265 2HE LYS 46 2HE LYS 46 -4.190 -10.518 -1.844 266 1HZ LYS 46 1HZ LYS 46 -4.379 -10.323 -4.154 267 2HZ LYS 46 2HZ LYS 46 -5.480 -11.540 -3.745 268 3HZ LYS 46 3HZ LYS 46 -3.987 -11.946 -4.427 269 H ILE 47 H ILE 47 0.754 -10.340 0.749 270 HA ILE 47 HA ILE 47 -1.503 -9.928 2.438 271 HB ILE 47 HB ILE 47 1.058 -11.403 2.578 272 1HG1 ILE 47 1HG1 ILE 47 -1.498 -12.319 3.813 273 2HG1 ILE 47 2HG1 ILE 47 -1.436 -12.157 2.061 274 1HG2 ILE 47 1HG2 ILE 47 -0.352 -10.481 5.072 275 2HG2 ILE 47 2HG2 ILE 47 1.341 -10.246 4.633 276 3HG2 ILE 47 3HG2 ILE 47 0.746 -11.860 5.028 277 1HD1 ILE 47 1HD1 ILE 47 -0.383 -14.228 3.751 278 2HD1 ILE 47 2HD1 ILE 47 0.884 -13.533 2.740 279 3HD1 ILE 47 3HD1 ILE 47 -0.573 -14.192 1.998 280 H TRP 48 H TRP 48 1.791 -8.760 2.366 281 HA TRP 48 HA TRP 48 1.919 -7.351 4.753 282 1HB TRP 48 1HB TRP 48 3.838 -7.864 3.317 283 2HB TRP 48 2HB TRP 48 3.206 -6.808 2.068 284 HD1 TRP 48 HD1 TRP 48 5.570 -6.860 4.885 285 HE1 TRP 48 HE1 TRP 48 6.448 -4.489 5.337 286 HE3 TRP 48 HE3 TRP 48 2.213 -4.154 2.155 287 HZ2 TRP 48 HZ2 TRP 48 5.823 -1.847 4.668 288 HZ3 TRP 48 HZ3 TRP 48 2.420 -1.712 2.117 289 HH2 TRP 48 HH2 TRP 48 4.196 -0.586 3.336 290 H PHE 49 H PHE 49 1.014 -6.222 1.522 291 HA PHE 49 HA PHE 49 0.348 -3.605 2.413 292 1HB PHE 49 1HB PHE 49 0.091 -5.084 -0.152 293 2HB PHE 49 2HB PHE 49 -0.917 -3.650 0.078 294 HD1 PHE 49 HD1 PHE 49 2.499 -4.907 -0.168 295 HD2 PHE 49 HD2 PHE 49 0.047 -1.470 0.272 296 HE1 PHE 49 HE1 PHE 49 4.461 -3.477 -0.566 297 HE2 PHE 49 HE2 PHE 49 2.005 -0.018 -0.139 298 HZ PHE 49 HZ PHE 49 4.222 -1.037 -0.530 299 H GLN 50 H GLN 50 -1.547 -6.495 1.751 300 HA GLN 50 HA GLN 50 -4.054 -5.303 2.142 301 1HB GLN 50 1HB GLN 50 -3.059 -8.135 2.327 302 2HB GLN 50 2HB GLN 50 -4.720 -7.741 2.749 303 1HG GLN 50 1HG GLN 50 -4.060 -6.554 0.231 304 2HG GLN 50 2HG GLN 50 -3.660 -8.270 0.207 305 1HE2 GLN 50 1HE2 GLN 50 -5.256 -9.733 0.061 306 2HE2 GLN 50 2HE2 GLN 50 -6.940 -9.349 0.022 307 H ASN 51 H ASN 51 -1.638 -6.537 4.356 308 HA ASN 51 HA ASN 51 -3.396 -6.473 6.645 309 1HB ASN 51 1HB ASN 51 -0.592 -7.231 6.108 310 2HB ASN 51 2HB ASN 51 -0.896 -6.575 7.714 311 1HD2 ASN 51 1HD2 ASN 51 -0.054 -9.142 7.419 312 2HD2 ASN 51 2HD2 ASN 51 -1.329 -10.233 7.829 313 H LYS 52 H LYS 52 -1.095 -4.352 5.102 314 HA LYS 52 HA LYS 52 -0.632 -2.540 7.180 315 1HB LYS 52 1HB LYS 52 0.347 -2.746 4.724 316 2HB LYS 52 2HB LYS 52 -0.882 -1.538 4.380 317 1HG LYS 52 1HG LYS 52 0.672 -0.053 4.963 318 2HG LYS 52 2HG LYS 52 0.301 -0.523 6.623 319 1HD LYS 52 1HD LYS 52 2.220 -2.267 5.237 320 2HD LYS 52 2HD LYS 52 2.778 -0.616 5.513 321 1HE LYS 52 1HE LYS 52 2.446 -0.811 7.861 322 2HE LYS 52 2HE LYS 52 1.582 -2.336 7.675 323 1HZ LYS 52 1HZ LYS 52 3.730 -3.218 6.715 324 2HZ LYS 52 2HZ LYS 52 3.728 -2.903 8.377 325 3HZ LYS 52 3HZ LYS 52 4.473 -1.820 7.313 326 H ARG 53 H ARG 53 -3.246 -2.739 4.820 327 HA ARG 53 HA ARG 53 -4.620 -0.558 6.247 328 1HB ARG 53 1HB ARG 53 -5.081 -1.479 3.406 329 2HB ARG 53 2HB ARG 53 -5.855 -0.116 4.203 330 1HG ARG 53 1HG ARG 53 -3.227 0.505 4.510 331 2HG ARG 53 2HG ARG 53 -3.219 -0.320 2.949 332 1HD ARG 53 1HD ARG 53 -3.733 1.736 2.173 333 2HD ARG 53 2HD ARG 53 -5.369 1.261 2.627 334 HE ARG 53 HE ARG 53 -3.902 2.544 4.741 335 1HH1 ARG 53 1HH1 ARG 53 -5.944 3.050 1.957 336 2HH1 ARG 53 2HH1 ARG 53 -6.503 4.599 2.492 337 1HH2 ARG 53 1HH2 ARG 53 -4.637 4.580 5.448 338 2HH2 ARG 53 2HH2 ARG 53 -5.760 5.468 4.474 339 H ALA 54 H ALA 54 -5.783 -1.633 7.748 340 HA ALA 54 HA ALA 54 -8.133 -3.006 6.924 341 1HB ALA 54 1HB ALA 54 -7.708 -5.190 7.421 342 2HB ALA 54 2HB ALA 54 -6.446 -4.794 8.587 343 3HB ALA 54 3HB ALA 54 -6.107 -4.705 6.859 344 H LYS 55 H LYS 55 -7.322 -0.769 8.586 345 HA LYS 55 HA LYS 55 -8.557 -1.623 11.116 346 1HB LYS 55 1HB LYS 55 -6.079 -1.150 11.297 347 2HB LYS 55 2HB LYS 55 -6.447 0.522 10.895 348 1HG LYS 55 1HG LYS 55 -7.634 0.858 12.889 349 2HG LYS 55 2HG LYS 55 -7.741 -0.874 13.213 350 1HD LYS 55 1HD LYS 55 -5.715 -0.935 14.178 351 2HD LYS 55 2HD LYS 55 -4.999 0.115 12.953 352 1HE LYS 55 1HE LYS 55 -6.296 2.005 14.119 353 2HE LYS 55 2HE LYS 55 -6.470 0.870 15.456 354 1HZ LYS 55 1HZ LYS 55 -4.413 2.534 15.194 355 2HZ LYS 55 2HZ LYS 55 -3.783 1.179 14.404 356 3HZ LYS 55 3HZ LYS 55 -4.311 1.052 16.005 357 H ILE 56 H ILE 56 -9.777 -0.497 8.730 358 HA ILE 56 HA ILE 56 -10.935 1.906 9.959 359 HB ILE 56 HB ILE 56 -10.357 1.708 7.005 360 1HG1 ILE 56 1HG1 ILE 56 -8.883 3.413 9.017 361 2HG1 ILE 56 2HG1 ILE 56 -8.294 1.843 8.481 362 1HG2 ILE 56 1HG2 ILE 56 -11.362 3.715 6.768 363 2HG2 ILE 56 2HG2 ILE 56 -10.820 4.295 8.343 364 3HG2 ILE 56 3HG2 ILE 56 -12.212 3.217 8.231 365 1HD1 ILE 56 1HD1 ILE 56 -7.212 3.632 7.266 366 2HD1 ILE 56 2HD1 ILE 56 -8.779 4.247 6.738 367 3HD1 ILE 56 3HD1 ILE 56 -8.216 2.671 6.180 368 H LYS 57 H LYS 57 -12.584 0.352 10.586 369 HA LYS 57 HA LYS 57 -14.628 -0.620 10.383 370 1HB LYS 57 1HB LYS 57 -14.937 1.699 9.214 371 2HB LYS 57 2HB LYS 57 -15.025 0.740 7.743 372 1HG LYS 57 1HG LYS 57 -16.993 -0.300 8.383 373 2HG LYS 57 2HG LYS 57 -16.748 0.070 10.091 374 1HD LYS 57 1HD LYS 57 -16.855 2.564 9.042 375 2HD LYS 57 2HD LYS 57 -17.938 1.701 7.948 376 1HE LYS 57 1HE LYS 57 -18.243 1.270 10.876 377 2HE LYS 57 2HE LYS 57 -18.812 2.792 10.191 378 1HZ LYS 57 1HZ LYS 57 -20.296 0.597 10.309 379 2HZ LYS 57 2HZ LYS 57 -19.609 0.381 8.779 380 3HZ LYS 57 3HZ LYS 57 -20.494 1.781 9.116 381 H LYS 58 H LYS 58 -16.026 -2.013 8.899 382 HA LYS 58 HA LYS 58 -14.350 -3.470 6.969 383 1HB LYS 58 1HB LYS 58 -14.639 -4.566 9.295 384 2HB LYS 58 2HB LYS 58 -16.288 -4.887 8.777 385 1HG LYS 58 1HG LYS 58 -15.630 -6.383 7.151 386 2HG LYS 58 2HG LYS 58 -14.003 -5.708 7.041 387 1HD LYS 58 1HD LYS 58 -13.429 -7.499 8.274 388 2HD LYS 58 2HD LYS 58 -14.048 -6.543 9.622 389 1HE LYS 58 1HE LYS 58 -16.338 -7.632 8.877 390 2HE LYS 58 2HE LYS 58 -15.266 -8.864 8.213 391 1HZ LYS 58 1HZ LYS 58 -14.548 -9.484 10.277 392 2HZ LYS 58 2HZ LYS 58 -16.135 -9.035 10.649 393 3HZ LYS 58 3HZ LYS 58 -14.857 -7.977 10.981 394 H SER 59 H SER 59 -15.875 -1.692 5.866 395 HA SER 59 HA SER 59 -18.171 -3.206 4.829 396 1HB SER 59 1HB SER 59 -18.137 -0.477 6.003 397 2HB SER 59 2HB SER 59 -19.110 -0.701 4.550 398 HG SER 59 HG SER 59 -20.288 -2.270 5.599 Start of MODEL 3 1 1H ALA 16 1H ALA 16 -17.879 13.070 -5.017 2 2H ALA 16 2H ALA 16 -19.459 13.109 -5.685 3 3H ALA 16 3H ALA 16 -19.086 14.053 -4.301 4 HA ALA 16 HA ALA 16 -19.216 15.197 -6.512 5 1HB ALA 16 1HB ALA 16 -18.227 16.058 -4.355 6 2HB ALA 16 2HB ALA 16 -17.596 16.778 -5.836 7 3HB ALA 16 3HB ALA 16 -16.655 15.557 -4.978 8 H LYS 17 H LYS 17 -18.213 12.484 -7.132 9 HA LYS 17 HA LYS 17 -16.996 11.435 -8.740 10 1HB LYS 17 1HB LYS 17 -17.902 13.703 -9.896 11 2HB LYS 17 2HB LYS 17 -16.170 13.949 -10.067 12 1HG LYS 17 1HG LYS 17 -17.536 11.426 -10.947 13 2HG LYS 17 2HG LYS 17 -17.353 12.832 -11.997 14 1HD LYS 17 1HD LYS 17 -14.942 11.782 -10.603 15 2HD LYS 17 2HD LYS 17 -15.573 10.878 -11.981 16 1HE LYS 17 1HE LYS 17 -15.207 13.823 -12.241 17 2HE LYS 17 2HE LYS 17 -13.783 12.785 -12.298 18 1HZ LYS 17 1HZ LYS 17 -14.656 11.629 -14.158 19 2HZ LYS 17 2HZ LYS 17 -14.806 13.279 -14.497 20 3HZ LYS 17 3HZ LYS 17 -16.163 12.387 -14.022 21 H ARG 18 H ARG 18 -15.446 10.952 -7.029 22 HA ARG 18 HA ARG 18 -13.062 12.574 -6.851 23 1HB ARG 18 1HB ARG 18 -14.280 10.932 -5.083 24 2HB ARG 18 2HB ARG 18 -13.058 9.839 -5.718 25 1HG ARG 18 1HG ARG 18 -11.674 12.189 -5.226 26 2HG ARG 18 2HG ARG 18 -12.789 12.045 -3.868 27 1HD ARG 18 1HD ARG 18 -10.875 9.913 -4.813 28 2HD ARG 18 2HD ARG 18 -10.646 10.951 -3.406 29 HE ARG 18 HE ARG 18 -12.350 8.639 -3.604 30 1HH1 ARG 18 1HH1 ARG 18 -11.728 11.613 -1.884 31 2HH1 ARG 18 2HH1 ARG 18 -12.546 11.098 -0.447 32 1HH2 ARG 18 1HH2 ARG 18 -13.427 7.962 -1.715 33 2HH2 ARG 18 2HH2 ARG 18 -13.511 9.026 -0.351 34 H GLU 19 H GLU 19 -13.457 9.091 -7.514 35 HA GLU 19 HA GLU 19 -12.329 7.668 -8.885 36 1HB GLU 19 1HB GLU 19 -13.133 9.783 -10.453 37 2HB GLU 19 2HB GLU 19 -11.413 9.688 -10.801 38 1HG GLU 19 1HG GLU 19 -11.985 7.115 -11.047 39 2HG GLU 19 2HG GLU 19 -13.585 7.767 -11.403 40 H PHE 20 H PHE 20 -10.651 7.209 -7.455 41 HA PHE 20 HA PHE 20 -8.151 8.699 -7.902 42 1HB PHE 20 1HB PHE 20 -7.440 7.936 -5.687 43 2HB PHE 20 2HB PHE 20 -8.964 8.811 -5.588 44 HD1 PHE 20 HD1 PHE 20 -7.486 5.421 -5.630 45 HD2 PHE 20 HD2 PHE 20 -10.870 7.812 -4.666 46 HE1 PHE 20 HE1 PHE 20 -8.496 3.508 -4.457 47 HE2 PHE 20 HE2 PHE 20 -11.888 5.905 -3.490 48 HZ PHE 20 HZ PHE 20 -10.701 3.750 -3.385 49 H ASN 21 H ASN 21 -6.264 7.047 -7.024 50 HA ASN 21 HA ASN 21 -6.283 4.934 -9.021 51 1HB ASN 21 1HB ASN 21 -4.093 5.940 -7.200 52 2HB ASN 21 2HB ASN 21 -3.888 4.695 -8.428 53 1HD2 ASN 21 1HD2 ASN 21 -2.418 5.830 -9.630 54 2HD2 ASN 21 2HD2 ASN 21 -2.828 7.247 -10.531 55 H GLU 22 H GLU 22 -7.436 3.217 -8.314 56 HA GLU 22 HA GLU 22 -7.460 2.286 -5.640 57 1HB GLU 22 1HB GLU 22 -8.761 1.633 -8.088 58 2HB GLU 22 2HB GLU 22 -8.073 0.151 -7.436 59 1HG GLU 22 1HG GLU 22 -9.431 0.150 -5.616 60 2HG GLU 22 2HG GLU 22 -9.564 1.908 -5.575 61 H ASN 23 H ASN 23 -5.221 2.217 -5.120 62 HA ASN 23 HA ASN 23 -3.237 1.179 -4.749 63 1HB ASN 23 1HB ASN 23 -4.402 -1.307 -5.959 64 2HB ASN 23 2HB ASN 23 -3.159 -1.168 -4.724 65 1HD2 ASN 23 1HD2 ASN 23 -4.036 0.245 -2.786 66 2HD2 ASN 23 2HD2 ASN 23 -5.550 -0.299 -2.156 67 H ARG 24 H ARG 24 -2.469 2.559 -6.423 68 HA ARG 24 HA ARG 24 -1.020 1.121 -8.445 69 1HB ARG 24 1HB ARG 24 -2.986 3.252 -9.321 70 2HB ARG 24 2HB ARG 24 -1.872 2.370 -10.359 71 1HG ARG 24 1HG ARG 24 -3.072 0.272 -9.720 72 2HG ARG 24 2HG ARG 24 -4.260 1.282 -8.892 73 1HD ARG 24 1HD ARG 24 -5.314 1.672 -10.809 74 2HD ARG 24 2HD ARG 24 -3.833 2.298 -11.531 75 HE ARG 24 HE ARG 24 -3.644 0.347 -12.687 76 1HH1 ARG 24 1HH1 ARG 24 -5.700 -0.218 -9.925 77 2HH1 ARG 24 2HH1 ARG 24 -6.083 -1.843 -10.385 78 1HH2 ARG 24 1HH2 ARG 24 -4.145 -1.791 -13.293 79 2HH2 ARG 24 2HH2 ARG 24 -5.200 -2.736 -12.298 80 H TYR 25 H TYR 25 -2.141 4.375 -7.593 81 HA TYR 25 HA TYR 25 -0.129 5.968 -8.433 82 1HB TYR 25 1HB TYR 25 -0.687 7.497 -6.628 83 2HB TYR 25 2HB TYR 25 -2.157 6.734 -7.226 84 HD1 TYR 25 HD1 TYR 25 -2.752 4.455 -5.915 85 HD2 TYR 25 HD2 TYR 25 -0.464 7.678 -4.339 86 HE1 TYR 25 HE1 TYR 25 -3.284 3.706 -3.640 87 HE2 TYR 25 HE2 TYR 25 -0.996 6.941 -2.054 88 HH TYR 25 HH TYR 25 -3.403 4.636 -1.377 89 H LEU 26 H LEU 26 -0.115 4.132 -5.397 90 HA LEU 26 HA LEU 26 2.794 4.541 -5.266 91 1HB LEU 26 1HB LEU 26 2.734 5.068 -3.073 92 2HB LEU 26 2HB LEU 26 1.121 5.602 -3.486 93 HG LEU 26 HG LEU 26 0.915 4.446 -1.448 94 1HD1 LEU 26 1HD1 LEU 26 0.112 2.074 -2.896 95 2HD1 LEU 26 2HD1 LEU 26 -0.410 3.552 -3.701 96 3HD1 LEU 26 3HD1 LEU 26 -0.865 3.257 -2.025 97 1HD2 LEU 26 1HD2 LEU 26 2.140 2.696 -0.757 98 2HD2 LEU 26 2HD2 LEU 26 3.203 3.168 -2.083 99 3HD2 LEU 26 3HD2 LEU 26 2.033 1.868 -2.311 100 H THR 27 H THR 27 0.198 2.300 -5.257 101 HA THR 27 HA THR 27 1.158 0.120 -3.918 102 HB THR 27 HB THR 27 -0.403 0.291 -6.492 103 HG1 THR 27 HG1 THR 27 -1.084 -0.212 -3.792 104 1HG2 THR 27 1HG2 THR 27 -0.025 -2.179 -4.818 105 2HG2 THR 27 2HG2 THR 27 0.692 -1.910 -6.408 106 3HG2 THR 27 3HG2 THR 27 -1.060 -2.006 -6.235 107 H GLU 28 H GLU 28 1.361 0.067 -7.452 108 HA GLU 28 HA GLU 28 3.438 -1.762 -7.603 109 1HB GLU 28 1HB GLU 28 2.749 0.398 -9.599 110 2HB GLU 28 2HB GLU 28 3.687 -1.051 -9.935 111 1HG GLU 28 1HG GLU 28 0.929 -1.309 -8.834 112 2HG GLU 28 2HG GLU 28 1.158 -0.938 -10.542 113 H ARG 29 H ARG 29 3.568 1.734 -7.302 114 HA ARG 29 HA ARG 29 6.279 2.074 -7.988 115 1HB ARG 29 1HB ARG 29 4.222 3.759 -7.429 116 2HB ARG 29 2HB ARG 29 5.175 3.909 -5.958 117 1HG ARG 29 1HG ARG 29 6.163 4.375 -8.765 118 2HG ARG 29 2HG ARG 29 5.783 5.617 -7.570 119 1HD ARG 29 1HD ARG 29 7.519 4.136 -6.154 120 2HD ARG 29 2HD ARG 29 8.127 3.832 -7.780 121 HE ARG 29 HE ARG 29 8.374 6.242 -6.285 122 1HH1 ARG 29 1HH1 ARG 29 8.034 4.995 -9.526 123 2HH1 ARG 29 2HH1 ARG 29 8.807 6.356 -10.265 124 1HH2 ARG 29 1HH2 ARG 29 9.392 8.034 -7.255 125 2HH2 ARG 29 2HH2 ARG 29 9.579 8.082 -8.976 126 H ARG 30 H ARG 30 4.707 1.713 -4.817 127 HA ARG 30 HA ARG 30 7.239 1.683 -3.440 128 1HB ARG 30 1HB ARG 30 4.404 1.714 -2.689 129 2HB ARG 30 2HB ARG 30 5.411 0.751 -1.618 130 1HG ARG 30 1HG ARG 30 6.803 3.150 -2.067 131 2HG ARG 30 2HG ARG 30 5.122 3.591 -1.764 132 1HD ARG 30 1HD ARG 30 5.490 1.740 0.163 133 2HD ARG 30 2HD ARG 30 7.126 2.383 0.033 134 HE ARG 30 HE ARG 30 4.815 3.720 1.099 135 1HH1 ARG 30 1HH1 ARG 30 7.965 4.156 -0.340 136 2HH1 ARG 30 2HH1 ARG 30 8.196 5.731 0.342 137 1HH2 ARG 30 1HH2 ARG 30 5.117 5.792 1.995 138 2HH2 ARG 30 2HH2 ARG 30 6.579 6.660 1.667 139 H ARG 31 H ARG 31 5.095 -0.677 -4.802 140 HA ARG 31 HA ARG 31 5.830 -2.920 -3.293 141 1HB ARG 31 1HB ARG 31 4.735 -2.546 -6.059 142 2HB ARG 31 2HB ARG 31 5.213 -4.147 -5.511 143 1HG ARG 31 1HG ARG 31 3.615 -4.104 -3.747 144 2HG ARG 31 2HG ARG 31 3.256 -2.402 -4.037 145 1HD ARG 31 1HD ARG 31 1.487 -3.440 -5.089 146 2HD ARG 31 2HD ARG 31 2.619 -3.223 -6.423 147 HE ARG 31 HE ARG 31 3.161 -5.708 -5.354 148 1HH1 ARG 31 1HH1 ARG 31 0.431 -4.122 -6.841 149 2HH1 ARG 31 2HH1 ARG 31 -0.223 -5.586 -7.495 150 1HH2 ARG 31 1HH2 ARG 31 2.303 -7.636 -6.215 151 2HH2 ARG 31 2HH2 ARG 31 0.840 -7.581 -7.140 152 H GLN 32 H GLN 32 7.249 -1.529 -6.218 153 HA GLN 32 HA GLN 32 9.158 -3.581 -6.623 154 1HB GLN 32 1HB GLN 32 8.847 -0.768 -7.604 155 2HB GLN 32 2HB GLN 32 10.346 -1.635 -7.911 156 1HG GLN 32 1HG GLN 32 7.599 -2.558 -8.724 157 2HG GLN 32 2HG GLN 32 8.776 -1.784 -9.782 158 1HE2 GLN 32 1HE2 GLN 32 7.501 -4.658 -8.988 159 2HE2 GLN 32 2HE2 GLN 32 8.816 -5.704 -9.391 160 H GLN 33 H GLN 33 9.327 -0.437 -4.992 161 HA GLN 33 HA GLN 33 12.083 -0.731 -4.287 162 1HB GLN 33 1HB GLN 33 9.990 1.167 -3.217 163 2HB GLN 33 2HB GLN 33 11.718 1.289 -2.923 164 1HG GLN 33 1HG GLN 33 11.438 1.145 -5.700 165 2HG GLN 33 2HG GLN 33 10.168 2.234 -5.146 166 1HE2 GLN 33 1HE2 GLN 33 11.133 4.042 -6.030 167 2HE2 GLN 33 2HE2 GLN 33 12.572 4.743 -5.380 168 H LEU 34 H LEU 34 9.014 -1.321 -2.643 169 HA LEU 34 HA LEU 34 10.071 -1.697 -0.061 170 1HB LEU 34 1HB LEU 34 7.548 -2.549 -1.423 171 2HB LEU 34 2HB LEU 34 7.930 -3.175 0.168 172 HG LEU 34 HG LEU 34 7.445 -0.302 -0.603 173 1HD1 LEU 34 1HD1 LEU 34 5.619 -2.123 -0.024 174 2HD1 LEU 34 2HD1 LEU 34 5.484 -0.458 0.541 175 3HD1 LEU 34 3HD1 LEU 34 6.088 -1.712 1.624 176 1HD2 LEU 34 1HD2 LEU 34 7.794 0.112 1.875 177 2HD2 LEU 34 2HD2 LEU 34 9.246 -0.162 0.913 178 3HD2 LEU 34 3HD2 LEU 34 8.600 -1.455 1.922 179 H SER 35 H SER 35 9.534 -3.936 -2.737 180 HA SER 35 HA SER 35 10.081 -6.320 -1.397 181 1HB SER 35 1HB SER 35 10.603 -7.250 -3.617 182 2HB SER 35 2HB SER 35 9.153 -6.249 -3.671 183 HG SER 35 HG SER 35 11.656 -5.825 -4.803 184 H SER 36 H SER 36 12.282 -4.170 -3.184 185 HA SER 36 HA SER 36 14.621 -5.674 -2.638 186 1HB SER 36 1HB SER 36 14.005 -3.012 -3.797 187 2HB SER 36 2HB SER 36 15.635 -3.243 -3.165 188 HG SER 36 HG SER 36 15.848 -5.041 -4.530 189 H GLU 37 H GLU 37 13.111 -2.904 -1.042 190 HA GLU 37 HA GLU 37 15.224 -2.376 0.755 191 1HB GLU 37 1HB GLU 37 12.586 -1.372 0.249 192 2HB GLU 37 2HB GLU 37 12.784 -1.620 1.978 193 1HG GLU 37 1HG GLU 37 15.126 -0.366 0.924 194 2HG GLU 37 2HG GLU 37 13.694 0.528 0.414 195 H LEU 38 H LEU 38 12.214 -4.229 1.153 196 HA LEU 38 HA LEU 38 13.018 -5.094 3.796 197 1HB LEU 38 1HB LEU 38 10.611 -5.619 2.075 198 2HB LEU 38 2HB LEU 38 10.878 -6.489 3.573 199 HG LEU 38 HG LEU 38 11.171 -3.850 4.335 200 1HD1 LEU 38 1HD1 LEU 38 8.826 -4.018 2.451 201 2HD1 LEU 38 2HD1 LEU 38 10.328 -3.159 2.113 202 3HD1 LEU 38 3HD1 LEU 38 9.295 -2.640 3.445 203 1HD2 LEU 38 1HD2 LEU 38 8.459 -5.018 4.497 204 2HD2 LEU 38 2HD2 LEU 38 9.486 -4.346 5.763 205 3HD2 LEU 38 3HD2 LEU 38 9.779 -5.979 5.166 206 H GLY 39 H GLY 39 13.315 -6.232 0.566 207 1HA GLY 39 1HA GLY 39 14.443 -8.064 -0.253 208 2HA GLY 39 2HA GLY 39 14.903 -8.452 1.398 209 H LEU 40 H LEU 40 11.559 -8.074 0.499 210 HA LEU 40 HA LEU 40 11.195 -10.971 0.879 211 1HB LEU 40 1HB LEU 40 8.711 -10.069 1.222 212 2HB LEU 40 2HB LEU 40 9.872 -10.167 2.533 213 HG LEU 40 HG LEU 40 10.422 -7.747 2.098 214 1HD1 LEU 40 1HD1 LEU 40 7.854 -7.716 0.540 215 2HD1 LEU 40 2HD1 LEU 40 9.435 -7.818 -0.236 216 3HD1 LEU 40 3HD1 LEU 40 9.025 -6.415 0.752 217 1HD2 LEU 40 1HD2 LEU 40 8.500 -8.882 3.651 218 2HD2 LEU 40 2HD2 LEU 40 7.560 -7.710 2.728 219 3HD2 LEU 40 3HD2 LEU 40 8.942 -7.175 3.684 220 H ASN 41 H ASN 41 9.335 -11.924 -0.295 221 HA ASN 41 HA ASN 41 9.437 -11.089 -3.069 222 1HB ASN 41 1HB ASN 41 8.028 -13.196 -3.397 223 2HB ASN 41 2HB ASN 41 9.672 -13.423 -2.808 224 1HD2 ASN 41 1HD2 ASN 41 6.309 -13.262 -1.845 225 2HD2 ASN 41 2HD2 ASN 41 6.467 -14.244 -0.433 226 H GLU 42 H GLU 42 7.523 -10.831 -4.363 227 HA GLU 42 HA GLU 42 5.727 -8.957 -3.380 228 1HB GLU 42 1HB GLU 42 5.292 -10.850 -5.698 229 2HB GLU 42 2HB GLU 42 4.467 -9.318 -5.441 230 1HG GLU 42 1HG GLU 42 6.147 -8.133 -6.310 231 2HG GLU 42 2HG GLU 42 7.373 -9.082 -5.472 232 H ALA 43 H ALA 43 5.559 -12.444 -3.379 233 HA ALA 43 HA ALA 43 2.814 -12.801 -2.941 234 1HB ALA 43 1HB ALA 43 4.856 -14.505 -3.233 235 2HB ALA 43 2HB ALA 43 3.310 -14.983 -2.534 236 3HB ALA 43 3HB ALA 43 4.669 -14.592 -1.482 237 H GLN 44 H GLN 44 5.424 -11.923 -0.794 238 HA GLN 44 HA GLN 44 3.823 -12.051 1.610 239 1HB GLN 44 1HB GLN 44 6.593 -11.101 0.937 240 2HB GLN 44 2HB GLN 44 5.879 -10.730 2.499 241 1HG GLN 44 1HG GLN 44 6.281 -13.499 1.389 242 2HG GLN 44 2HG GLN 44 7.325 -12.707 2.567 243 1HE2 GLN 44 1HE2 GLN 44 5.626 -11.565 4.289 244 2HE2 GLN 44 2HE2 GLN 44 4.640 -12.752 5.066 245 H ILE 45 H ILE 45 4.725 -9.798 -0.833 246 HA ILE 45 HA ILE 45 4.144 -7.375 0.473 247 HB ILE 45 HB ILE 45 4.194 -8.119 -2.449 248 1HG1 ILE 45 1HG1 ILE 45 6.315 -8.173 -1.060 249 2HG1 ILE 45 2HG1 ILE 45 6.358 -7.136 -2.483 250 1HG2 ILE 45 1HG2 ILE 45 4.148 -5.781 -3.008 251 2HG2 ILE 45 2HG2 ILE 45 4.035 -5.343 -1.307 252 3HG2 ILE 45 3HG2 ILE 45 2.700 -6.186 -2.088 253 1HD1 ILE 45 1HD1 ILE 45 5.835 -5.207 -0.976 254 2HD1 ILE 45 2HD1 ILE 45 7.405 -5.970 -0.714 255 3HD1 ILE 45 3HD1 ILE 45 6.067 -6.301 0.387 256 H LYS 46 H LYS 46 2.139 -9.593 -1.442 257 HA LYS 46 HA LYS 46 -0.141 -7.994 -1.690 258 1HB LYS 46 1HB LYS 46 0.554 -10.732 -2.140 259 2HB LYS 46 2HB LYS 46 -0.971 -10.687 -1.267 260 1HG LYS 46 1HG LYS 46 -2.023 -9.440 -2.963 261 2HG LYS 46 2HG LYS 46 -0.486 -9.048 -3.735 262 1HD LYS 46 1HD LYS 46 -0.190 -11.479 -4.213 263 2HD LYS 46 2HD LYS 46 -1.819 -11.750 -3.592 264 1HE LYS 46 1HE LYS 46 -1.575 -9.643 -5.633 265 2HE LYS 46 2HE LYS 46 -1.235 -11.279 -6.194 266 1HZ LYS 46 1HZ LYS 46 -3.467 -11.690 -4.812 267 2HZ LYS 46 2HZ LYS 46 -3.455 -11.319 -6.462 268 3HZ LYS 46 3HZ LYS 46 -3.742 -10.101 -5.324 269 H ILE 47 H ILE 47 0.761 -10.321 0.812 270 HA ILE 47 HA ILE 47 -1.492 -9.858 2.494 271 HB ILE 47 HB ILE 47 1.085 -11.299 2.681 272 1HG1 ILE 47 1HG1 ILE 47 -0.489 -12.998 3.754 273 2HG1 ILE 47 2HG1 ILE 47 -1.793 -11.879 3.371 274 1HG2 ILE 47 1HG2 ILE 47 0.762 -11.676 5.150 275 2HG2 ILE 47 2HG2 ILE 47 -0.338 -10.298 5.136 276 3HG2 ILE 47 3HG2 ILE 47 1.357 -10.077 4.694 277 1HD1 ILE 47 1HD1 ILE 47 -0.006 -13.367 1.480 278 2HD1 ILE 47 2HD1 ILE 47 -1.002 -12.002 0.972 279 3HD1 ILE 47 3HD1 ILE 47 -1.761 -13.450 1.633 280 H TRP 48 H TRP 48 1.766 -8.642 2.301 281 HA TRP 48 HA TRP 48 1.931 -7.163 4.649 282 1HB TRP 48 1HB TRP 48 3.825 -7.711 3.189 283 2HB TRP 48 2HB TRP 48 3.163 -6.691 1.927 284 HD1 TRP 48 HD1 TRP 48 5.562 -6.651 4.719 285 HE1 TRP 48 HE1 TRP 48 6.436 -4.264 5.083 286 HE3 TRP 48 HE3 TRP 48 2.171 -4.053 1.932 287 HZ2 TRP 48 HZ2 TRP 48 5.796 -1.647 4.328 288 HZ3 TRP 48 HZ3 TRP 48 2.370 -1.612 1.805 289 HH2 TRP 48 HH2 TRP 48 4.154 -0.440 2.968 290 H PHE 49 H PHE 49 0.956 -6.135 1.401 291 HA PHE 49 HA PHE 49 0.301 -3.493 2.224 292 1HB PHE 49 1HB PHE 49 -0.025 -5.056 -0.287 293 2HB PHE 49 2HB PHE 49 -1.007 -3.601 -0.079 294 HD1 PHE 49 HD1 PHE 49 2.387 -4.914 -0.359 295 HD2 PHE 49 HD2 PHE 49 -0.011 -1.427 -0.001 296 HE1 PHE 49 HE1 PHE 49 4.356 -3.527 -0.858 297 HE2 PHE 49 HE2 PHE 49 1.956 -0.021 -0.513 298 HZ PHE 49 HZ PHE 49 4.149 -1.086 -0.913 299 H GLN 50 H GLN 50 -1.609 -6.400 1.685 300 HA GLN 50 HA GLN 50 -4.092 -5.133 2.162 301 1HB GLN 50 1HB GLN 50 -3.261 -8.036 2.268 302 2HB GLN 50 2HB GLN 50 -4.921 -7.499 2.488 303 1HG GLN 50 1HG GLN 50 -3.862 -6.330 0.108 304 2HG GLN 50 2HG GLN 50 -3.575 -8.070 0.085 305 1HE2 GLN 50 1HE2 GLN 50 -5.469 -9.439 0.586 306 2HE2 GLN 50 2HE2 GLN 50 -7.013 -8.933 -0.001 307 H ASN 51 H ASN 51 -1.671 -6.593 4.229 308 HA ASN 51 HA ASN 51 -3.359 -6.758 6.541 309 1HB ASN 51 1HB ASN 51 -1.357 -8.200 6.194 310 2HB ASN 51 2HB ASN 51 -0.337 -6.780 6.403 311 1HD2 ASN 51 1HD2 ASN 51 -2.280 -9.158 7.951 312 2HD2 ASN 51 2HD2 ASN 51 -1.917 -8.709 9.579 313 H LYS 52 H LYS 52 -1.094 -4.400 5.249 314 HA LYS 52 HA LYS 52 -0.791 -2.778 7.498 315 1HB LYS 52 1HB LYS 52 -0.023 -2.686 4.807 316 2HB LYS 52 2HB LYS 52 -0.941 -1.209 5.067 317 1HG LYS 52 1HG LYS 52 0.508 -0.722 7.024 318 2HG LYS 52 2HG LYS 52 1.481 -2.131 6.597 319 1HD LYS 52 1HD LYS 52 2.157 -1.157 4.548 320 2HD LYS 52 2HD LYS 52 0.942 0.118 4.671 321 1HE LYS 52 1HE LYS 52 3.218 -0.223 6.616 322 2HE LYS 52 2HE LYS 52 3.291 0.826 5.201 323 1HZ LYS 52 1HZ LYS 52 2.481 1.638 7.602 324 2HZ LYS 52 2HZ LYS 52 0.991 1.207 6.929 325 3HZ LYS 52 3HZ LYS 52 1.967 2.352 6.157 326 H ARG 53 H ARG 53 -3.419 -3.030 5.208 327 HA ARG 53 HA ARG 53 -4.778 -0.743 6.435 328 1HB ARG 53 1HB ARG 53 -5.402 -2.359 3.963 329 2HB ARG 53 2HB ARG 53 -6.424 -1.065 4.573 330 1HG ARG 53 1HG ARG 53 -4.909 0.581 4.006 331 2HG ARG 53 2HG ARG 53 -3.544 -0.536 3.993 332 1HD ARG 53 1HD ARG 53 -4.001 0.002 1.731 333 2HD ARG 53 2HD ARG 53 -4.604 -1.634 1.992 334 HE ARG 53 HE ARG 53 -6.733 -0.881 1.604 335 1HH1 ARG 53 1HH1 ARG 53 -4.632 1.859 2.114 336 2HH1 ARG 53 2HH1 ARG 53 -5.828 3.021 1.647 337 1HH2 ARG 53 1HH2 ARG 53 -8.307 0.646 0.990 338 2HH2 ARG 53 2HH2 ARG 53 -7.915 2.333 1.010 339 H ALA 54 H ALA 54 -4.416 -3.647 7.470 340 HA ALA 54 HA ALA 54 -6.912 -4.909 7.535 341 1HB ALA 54 1HB ALA 54 -4.891 -5.032 9.759 342 2HB ALA 54 2HB ALA 54 -4.674 -5.866 8.221 343 3HB ALA 54 3HB ALA 54 -6.042 -6.271 9.256 344 H LYS 55 H LYS 55 -5.399 -2.878 10.056 345 HA LYS 55 HA LYS 55 -8.097 -2.053 10.880 346 1HB LYS 55 1HB LYS 55 -7.178 -2.071 13.269 347 2HB LYS 55 2HB LYS 55 -7.576 -3.623 12.546 348 1HG LYS 55 1HG LYS 55 -5.171 -3.902 11.972 349 2HG LYS 55 2HG LYS 55 -4.837 -2.422 12.874 350 1HD LYS 55 1HD LYS 55 -6.225 -3.733 14.738 351 2HD LYS 55 2HD LYS 55 -5.590 -5.119 13.850 352 1HE LYS 55 1HE LYS 55 -4.027 -2.897 15.151 353 2HE LYS 55 2HE LYS 55 -4.056 -4.599 15.610 354 1HZ LYS 55 1HZ LYS 55 -2.964 -5.170 13.564 355 2HZ LYS 55 2HZ LYS 55 -2.059 -3.976 14.347 356 3HZ LYS 55 3HZ LYS 55 -3.027 -3.569 13.021 357 H ILE 56 H ILE 56 -4.617 -1.391 11.197 358 HA ILE 56 HA ILE 56 -3.438 0.555 11.277 359 HB ILE 56 HB ILE 56 -5.899 1.866 10.123 360 1HG1 ILE 56 1HG1 ILE 56 -3.585 0.684 8.584 361 2HG1 ILE 56 2HG1 ILE 56 -5.090 -0.184 8.866 362 1HG2 ILE 56 1HG2 ILE 56 -3.180 2.731 9.383 363 2HG2 ILE 56 2HG2 ILE 56 -3.677 3.067 11.041 364 3HG2 ILE 56 3HG2 ILE 56 -4.632 3.683 9.692 365 1HD1 ILE 56 1HD1 ILE 56 -6.246 1.064 7.379 366 2HD1 ILE 56 2HD1 ILE 56 -4.639 1.239 6.675 367 3HD1 ILE 56 3HD1 ILE 56 -5.300 2.519 7.692 368 H LYS 57 H LYS 57 -3.417 0.586 13.558 369 HA LYS 57 HA LYS 57 -4.784 2.877 14.687 370 1HB LYS 57 1HB LYS 57 -5.734 0.204 15.134 371 2HB LYS 57 2HB LYS 57 -5.127 0.863 16.646 372 1HG LYS 57 1HG LYS 57 -6.838 2.677 15.095 373 2HG LYS 57 2HG LYS 57 -7.634 1.229 15.716 374 1HD LYS 57 1HD LYS 57 -5.877 2.663 17.609 375 2HD LYS 57 2HD LYS 57 -7.356 3.502 17.133 376 1HE LYS 57 1HE LYS 57 -8.073 0.827 17.656 377 2HE LYS 57 2HE LYS 57 -7.014 1.332 18.972 378 1HZ LYS 57 1HZ LYS 57 -8.457 3.331 19.198 379 2HZ LYS 57 2HZ LYS 57 -9.231 1.874 19.569 380 3HZ LYS 57 3HZ LYS 57 -9.529 2.636 18.089 381 H LYS 58 H LYS 58 -4.058 3.235 17.004 382 HA LYS 58 HA LYS 58 -1.194 2.622 17.162 383 1HB LYS 58 1HB LYS 58 -2.889 4.901 18.004 384 2HB LYS 58 2HB LYS 58 -1.554 4.494 19.073 385 1HG LYS 58 1HG LYS 58 -0.236 4.488 16.758 386 2HG LYS 58 2HG LYS 58 -1.525 5.618 16.341 387 1HD LYS 58 1HD LYS 58 -0.121 7.135 17.253 388 2HD LYS 58 2HD LYS 58 -0.826 6.565 18.767 389 1HE LYS 58 1HE LYS 58 1.011 5.078 19.137 390 2HE LYS 58 2HE LYS 58 1.662 5.400 17.532 391 1HZ LYS 58 1HZ LYS 58 2.613 6.601 19.629 392 2HZ LYS 58 2HZ LYS 58 1.311 7.650 19.379 393 3HZ LYS 58 3HZ LYS 58 2.462 7.428 18.160 394 H SER 59 H SER 59 -3.260 0.722 17.945 395 HA SER 59 HA SER 59 -3.111 0.669 20.855 396 1HB SER 59 1HB SER 59 -5.263 0.092 20.005 397 2HB SER 59 2HB SER 59 -4.576 -1.033 18.835 398 HG SER 59 HG SER 59 -4.515 -1.324 21.659 Start of MODEL 4 1 1H ALA 16 1H ALA 16 -22.344 12.595 -3.937 2 2H ALA 16 2H ALA 16 -22.784 12.660 -5.595 3 3H ALA 16 3H ALA 16 -21.341 13.418 -5.057 4 HA ALA 16 HA ALA 16 -21.913 10.533 -5.007 5 1HB ALA 16 1HB ALA 16 -21.611 11.216 -7.267 6 2HB ALA 16 2HB ALA 16 -20.101 10.473 -6.737 7 3HB ALA 16 3HB ALA 16 -20.232 12.229 -6.841 8 H LYS 17 H LYS 17 -19.630 9.428 -4.944 9 HA LYS 17 HA LYS 17 -17.976 10.782 -2.922 10 1HB LYS 17 1HB LYS 17 -19.226 8.076 -2.836 11 2HB LYS 17 2HB LYS 17 -17.634 8.278 -2.119 12 1HG LYS 17 1HG LYS 17 -19.043 10.412 -1.107 13 2HG LYS 17 2HG LYS 17 -20.242 9.117 -1.149 14 1HD LYS 17 1HD LYS 17 -19.157 7.878 0.418 15 2HD LYS 17 2HD LYS 17 -17.560 8.421 -0.103 16 1HE LYS 17 1HE LYS 17 -19.551 9.919 1.592 17 2HE LYS 17 2HE LYS 17 -17.969 9.311 2.079 18 1HZ LYS 17 1HZ LYS 17 -17.287 10.877 0.043 19 2HZ LYS 17 2HZ LYS 17 -17.363 11.418 1.644 20 3HZ LYS 17 3HZ LYS 17 -18.655 11.708 0.592 21 H ARG 18 H ARG 18 -16.081 11.160 -3.857 22 HA ARG 18 HA ARG 18 -15.081 9.748 -6.086 23 1HB ARG 18 1HB ARG 18 -14.505 12.134 -5.025 24 2HB ARG 18 2HB ARG 18 -13.188 11.209 -4.317 25 1HG ARG 18 1HG ARG 18 -12.985 10.396 -6.865 26 2HG ARG 18 2HG ARG 18 -13.657 12.009 -7.115 27 1HD ARG 18 1HD ARG 18 -11.303 11.536 -5.312 28 2HD ARG 18 2HD ARG 18 -11.107 11.767 -7.048 29 HE ARG 18 HE ARG 18 -11.746 13.772 -5.091 30 1HH1 ARG 18 1HH1 ARG 18 -11.955 12.899 -8.463 31 2HH1 ARG 18 2HH1 ARG 18 -12.083 14.537 -9.009 32 1HH2 ARG 18 1HH2 ARG 18 -11.914 15.929 -5.806 33 2HH2 ARG 18 2HH2 ARG 18 -12.060 16.257 -7.501 34 H GLU 19 H GLU 19 -13.674 8.080 -6.276 35 HA GLU 19 HA GLU 19 -12.992 6.662 -3.800 36 1HB GLU 19 1HB GLU 19 -13.042 5.675 -6.658 37 2HB GLU 19 2HB GLU 19 -12.661 4.693 -5.248 38 1HG GLU 19 1HG GLU 19 -14.977 5.370 -4.391 39 2HG GLU 19 2HG GLU 19 -15.287 5.888 -6.046 40 H PHE 20 H PHE 20 -10.937 6.354 -3.179 41 HA PHE 20 HA PHE 20 -8.853 7.779 -4.545 42 1HB PHE 20 1HB PHE 20 -7.421 6.977 -2.683 43 2HB PHE 20 2HB PHE 20 -8.888 7.770 -2.120 44 HD1 PHE 20 HD1 PHE 20 -7.576 4.376 -2.914 45 HD2 PHE 20 HD2 PHE 20 -10.161 6.744 -0.502 46 HE1 PHE 20 HE1 PHE 20 -8.120 2.394 -1.561 47 HE2 PHE 20 HE2 PHE 20 -10.711 4.766 0.856 48 HZ PHE 20 HZ PHE 20 -9.690 2.589 0.327 49 H ASN 21 H ASN 21 -6.601 6.415 -4.405 50 HA ASN 21 HA ASN 21 -6.902 4.425 -6.474 51 1HB ASN 21 1HB ASN 21 -4.408 5.400 -5.071 52 2HB ASN 21 2HB ASN 21 -4.458 4.412 -6.527 53 1HD2 ASN 21 1HD2 ASN 21 -5.991 5.445 -8.249 54 2HD2 ASN 21 2HD2 ASN 21 -5.683 7.114 -8.568 55 H GLU 22 H GLU 22 -7.750 2.565 -5.692 56 HA GLU 22 HA GLU 22 -6.979 1.414 -3.198 57 1HB GLU 22 1HB GLU 22 -9.032 1.005 -5.049 58 2HB GLU 22 2HB GLU 22 -8.108 -0.491 -5.075 59 1HG GLU 22 1HG GLU 22 -8.525 -0.935 -2.836 60 2HG GLU 22 2HG GLU 22 -8.950 0.739 -2.485 61 H ASN 23 H ASN 23 -4.706 1.349 -3.349 62 HA ASN 23 HA ASN 23 -2.699 0.343 -3.687 63 1HB ASN 23 1HB ASN 23 -4.166 -1.984 -4.894 64 2HB ASN 23 2HB ASN 23 -2.614 -1.979 -4.067 65 1HD2 ASN 23 1HD2 ASN 23 -2.807 -1.036 -1.756 66 2HD2 ASN 23 2HD2 ASN 23 -4.097 -1.684 -0.808 67 H ARG 24 H ARG 24 -2.364 1.966 -5.262 68 HA ARG 24 HA ARG 24 -1.559 0.911 -7.805 69 1HB ARG 24 1HB ARG 24 -3.698 3.056 -7.746 70 2HB ARG 24 2HB ARG 24 -2.888 2.448 -9.184 71 1HG ARG 24 1HG ARG 24 -3.836 0.191 -8.643 72 2HG ARG 24 2HG ARG 24 -4.794 0.977 -7.387 73 1HD ARG 24 1HD ARG 24 -5.837 2.407 -9.059 74 2HD ARG 24 2HD ARG 24 -4.851 1.672 -10.322 75 HE ARG 24 HE ARG 24 -7.215 0.576 -9.101 76 1HH1 ARG 24 1HH1 ARG 24 -4.287 -0.159 -10.853 77 2HH1 ARG 24 2HH1 ARG 24 -4.890 -1.656 -11.479 78 1HH2 ARG 24 1HH2 ARG 24 -8.009 -1.392 -9.924 79 2HH2 ARG 24 2HH2 ARG 24 -7.002 -2.356 -10.953 80 H TYR 25 H TYR 25 -2.442 4.025 -6.354 81 HA TYR 25 HA TYR 25 -0.672 5.736 -7.437 82 1HB TYR 25 1HB TYR 25 -0.811 7.063 -5.411 83 2HB TYR 25 2HB TYR 25 -2.374 6.320 -5.734 84 HD1 TYR 25 HD1 TYR 25 -2.642 3.909 -4.555 85 HD2 TYR 25 HD2 TYR 25 -0.076 7.032 -3.226 86 HE1 TYR 25 HE1 TYR 25 -2.642 2.937 -2.303 87 HE2 TYR 25 HE2 TYR 25 -0.072 6.070 -0.964 88 HH TYR 25 HH TYR 25 -0.892 3.064 -0.241 89 H LEU 26 H LEU 26 0.071 3.611 -4.675 90 HA LEU 26 HA LEU 26 2.926 4.124 -5.187 91 1HB LEU 26 1HB LEU 26 3.254 4.707 -3.066 92 2HB LEU 26 2HB LEU 26 1.512 4.786 -2.908 93 HG LEU 26 HG LEU 26 3.202 2.368 -2.259 94 1HD1 LEU 26 1HD1 LEU 26 1.729 4.083 -0.294 95 2HD1 LEU 26 2HD1 LEU 26 3.388 4.446 -0.773 96 3HD1 LEU 26 3HD1 LEU 26 3.009 2.905 -0.001 97 1HD2 LEU 26 1HD2 LEU 26 0.345 2.751 -2.617 98 2HD2 LEU 26 2HD2 LEU 26 0.744 2.137 -1.012 99 3HD2 LEU 26 3HD2 LEU 26 1.277 1.262 -2.448 100 H THR 27 H THR 27 0.489 1.783 -5.026 101 HA THR 27 HA THR 27 1.641 -0.448 -3.958 102 HB THR 27 HB THR 27 -0.173 -0.124 -6.334 103 HG1 THR 27 HG1 THR 27 -0.535 -1.087 -3.694 104 1HG2 THR 27 1HG2 THR 27 -0.547 -2.707 -5.503 105 2HG2 THR 27 2HG2 THR 27 1.210 -2.553 -5.536 106 3HG2 THR 27 3HG2 THR 27 0.266 -2.203 -6.985 107 H GLU 28 H GLU 28 1.569 -0.222 -7.493 108 HA GLU 28 HA GLU 28 3.708 -1.961 -7.893 109 1HB GLU 28 1HB GLU 28 2.853 0.205 -9.807 110 2HB GLU 28 2HB GLU 28 3.627 -1.325 -10.199 111 1HG GLU 28 1HG GLU 28 1.245 -1.883 -8.760 112 2HG GLU 28 2HG GLU 28 0.865 -0.726 -10.035 113 H ARG 29 H ARG 29 3.700 1.579 -7.703 114 HA ARG 29 HA ARG 29 6.371 1.944 -8.537 115 1HB ARG 29 1HB ARG 29 4.494 3.684 -8.324 116 2HB ARG 29 2HB ARG 29 4.938 3.772 -6.625 117 1HG ARG 29 1HG ARG 29 7.359 4.075 -7.787 118 2HG ARG 29 2HG ARG 29 6.313 4.821 -8.997 119 1HD ARG 29 1HD ARG 29 6.563 6.650 -7.708 120 2HD ARG 29 2HD ARG 29 5.292 5.898 -6.746 121 HE ARG 29 HE ARG 29 6.817 5.527 -5.079 122 1HH1 ARG 29 1HH1 ARG 29 8.525 6.317 -8.018 123 2HH1 ARG 29 2HH1 ARG 29 10.068 6.431 -7.240 124 1HH2 ARG 29 1HH2 ARG 29 8.844 5.677 -4.053 125 2HH2 ARG 29 2HH2 ARG 29 10.249 6.067 -4.988 126 H ARG 30 H ARG 30 4.947 1.770 -5.292 127 HA ARG 30 HA ARG 30 7.520 1.915 -4.011 128 1HB ARG 30 1HB ARG 30 5.268 2.759 -3.091 129 2HB ARG 30 2HB ARG 30 4.969 1.081 -2.657 130 1HG ARG 30 1HG ARG 30 6.564 1.070 -1.024 131 2HG ARG 30 2HG ARG 30 7.534 2.318 -1.809 132 1HD ARG 30 1HD ARG 30 5.706 3.947 -1.245 133 2HD ARG 30 2HD ARG 30 4.970 2.675 -0.271 134 HE ARG 30 HE ARG 30 7.708 3.128 0.413 135 1HH1 ARG 30 1HH1 ARG 30 4.457 4.300 0.898 136 2HH1 ARG 30 2HH1 ARG 30 4.811 5.018 2.433 137 1HH2 ARG 30 1HH2 ARG 30 8.175 4.069 2.432 138 2HH2 ARG 30 2HH2 ARG 30 6.921 4.887 3.304 139 H ARG 31 H ARG 31 5.477 -0.609 -5.189 140 HA ARG 31 HA ARG 31 6.185 -2.724 -3.529 141 1HB ARG 31 1HB ARG 31 4.985 -2.402 -6.158 142 2HB ARG 31 2HB ARG 31 5.976 -3.848 -6.068 143 1HG ARG 31 1HG ARG 31 4.728 -4.539 -4.054 144 2HG ARG 31 2HG ARG 31 3.680 -3.134 -4.259 145 1HD ARG 31 1HD ARG 31 2.822 -5.336 -5.183 146 2HD ARG 31 2HD ARG 31 2.798 -3.955 -6.278 147 HE ARG 31 HE ARG 31 5.166 -5.591 -6.468 148 1HH1 ARG 31 1HH1 ARG 31 1.910 -5.090 -7.621 149 2HH1 ARG 31 2HH1 ARG 31 2.180 -5.917 -9.119 150 1HH2 ARG 31 1HH2 ARG 31 5.523 -6.677 -8.438 151 2HH2 ARG 31 2HH2 ARG 31 4.230 -6.817 -9.582 152 H GLN 32 H GLN 32 7.825 -1.396 -6.347 153 HA GLN 32 HA GLN 32 9.798 -3.388 -6.599 154 1HB GLN 32 1HB GLN 32 9.154 -0.939 -7.864 155 2HB GLN 32 2HB GLN 32 10.840 -0.829 -7.376 156 1HG GLN 32 1HG GLN 32 10.915 -1.708 -9.526 157 2HG GLN 32 2HG GLN 32 11.130 -3.110 -8.478 158 1HE2 GLN 32 1HE2 GLN 32 10.462 -4.304 -10.384 159 2HE2 GLN 32 2HE2 GLN 32 8.776 -4.502 -10.706 160 H GLN 33 H GLN 33 9.805 -0.296 -4.862 161 HA GLN 33 HA GLN 33 12.461 -0.655 -3.858 162 1HB GLN 33 1HB GLN 33 10.374 1.230 -2.771 163 2HB GLN 33 2HB GLN 33 12.123 1.383 -2.666 164 1HG GLN 33 1HG GLN 33 12.184 1.625 -5.141 165 2HG GLN 33 2HG GLN 33 10.421 1.650 -5.130 166 1HE2 GLN 33 1HE2 GLN 33 9.897 3.169 -2.926 167 2HE2 GLN 33 2HE2 GLN 33 10.478 4.778 -3.169 168 H LEU 34 H LEU 34 9.209 -1.067 -2.501 169 HA LEU 34 HA LEU 34 10.034 -1.636 0.129 170 1HB LEU 34 1HB LEU 34 7.560 -1.900 -1.434 171 2HB LEU 34 2HB LEU 34 7.711 -3.033 -0.104 172 HG LEU 34 HG LEU 34 7.987 -0.045 0.204 173 1HD1 LEU 34 1HD1 LEU 34 5.605 -1.792 0.799 174 2HD1 LEU 34 2HD1 LEU 34 5.733 -0.658 -0.546 175 3HD1 LEU 34 3HD1 LEU 34 5.744 -0.061 1.113 176 1HD2 LEU 34 1HD2 LEU 34 9.123 -1.272 1.937 177 2HD2 LEU 34 2HD2 LEU 34 7.710 -2.296 2.190 178 3HD2 LEU 34 3HD2 LEU 34 7.640 -0.580 2.595 179 H SER 35 H SER 35 9.492 -3.710 -2.670 180 HA SER 35 HA SER 35 9.812 -6.167 -1.323 181 1HB SER 35 1HB SER 35 8.808 -6.032 -3.556 182 2HB SER 35 2HB SER 35 10.343 -5.481 -4.227 183 HG SER 35 HG SER 35 9.506 -7.988 -3.767 184 H SER 36 H SER 36 12.107 -4.208 -3.217 185 HA SER 36 HA SER 36 14.337 -5.888 -2.733 186 1HB SER 36 1HB SER 36 14.264 -2.972 -3.536 187 2HB SER 36 2HB SER 36 15.673 -4.028 -3.637 188 HG SER 36 HG SER 36 13.270 -4.134 -5.116 189 H GLU 37 H GLU 37 13.150 -2.955 -1.142 190 HA GLU 37 HA GLU 37 15.362 -2.581 0.562 191 1HB GLU 37 1HB GLU 37 13.476 -0.942 0.025 192 2HB GLU 37 2HB GLU 37 12.536 -1.794 1.242 193 1HG GLU 37 1HG GLU 37 15.216 -0.544 1.783 194 2HG GLU 37 2HG GLU 37 13.680 0.285 2.026 195 H LEU 38 H LEU 38 12.268 -4.244 1.081 196 HA LEU 38 HA LEU 38 13.085 -5.109 3.719 197 1HB LEU 38 1HB LEU 38 10.610 -5.362 2.073 198 2HB LEU 38 2HB LEU 38 10.851 -6.467 3.411 199 HG LEU 38 HG LEU 38 11.058 -4.532 4.943 200 1HD1 LEU 38 1HD1 LEU 38 10.576 -2.319 4.238 201 2HD1 LEU 38 2HD1 LEU 38 10.131 -2.859 2.620 202 3HD1 LEU 38 3HD1 LEU 38 11.812 -2.945 3.147 203 1HD2 LEU 38 1HD2 LEU 38 8.648 -3.839 4.780 204 2HD2 LEU 38 2HD2 LEU 38 8.930 -5.579 4.820 205 3HD2 LEU 38 3HD2 LEU 38 8.552 -4.781 3.294 206 H GLY 39 H GLY 39 13.380 -6.273 0.526 207 1HA GLY 39 1HA GLY 39 14.379 -8.188 -0.272 208 2HA GLY 39 2HA GLY 39 14.781 -8.599 1.389 209 H LEU 40 H LEU 40 11.506 -7.986 0.357 210 HA LEU 40 HA LEU 40 10.910 -10.843 0.752 211 1HB LEU 40 1HB LEU 40 8.508 -9.817 1.117 212 2HB LEU 40 2HB LEU 40 9.675 -9.906 2.424 213 HG LEU 40 HG LEU 40 10.304 -7.493 1.754 214 1HD1 LEU 40 1HD1 LEU 40 7.520 -7.456 0.648 215 2HD1 LEU 40 2HD1 LEU 40 8.914 -7.734 -0.394 216 3HD1 LEU 40 3HD1 LEU 40 8.783 -6.232 0.520 217 1HD2 LEU 40 1HD2 LEU 40 9.314 -7.650 3.815 218 2HD2 LEU 40 2HD2 LEU 40 7.866 -8.432 3.182 219 3HD2 LEU 40 3HD2 LEU 40 8.105 -6.700 2.950 220 H ASN 41 H ASN 41 9.153 -11.733 -0.510 221 HA ASN 41 HA ASN 41 9.238 -10.756 -3.239 222 1HB ASN 41 1HB ASN 41 9.265 -13.267 -2.237 223 2HB ASN 41 2HB ASN 41 7.544 -13.090 -2.565 224 1HD2 ASN 41 1HD2 ASN 41 6.963 -12.369 -4.752 225 2HD2 ASN 41 2HD2 ASN 41 7.925 -12.916 -6.078 226 H GLU 42 H GLU 42 7.310 -10.444 -4.508 227 HA GLU 42 HA GLU 42 5.469 -8.682 -3.440 228 1HB GLU 42 1HB GLU 42 5.020 -10.571 -5.761 229 2HB GLU 42 2HB GLU 42 4.138 -9.080 -5.457 230 1HG GLU 42 1HG GLU 42 5.661 -7.889 -6.532 231 2HG GLU 42 2HG GLU 42 6.955 -8.551 -5.535 232 H ALA 43 H ALA 43 5.464 -12.164 -3.458 233 HA ALA 43 HA ALA 43 2.760 -12.670 -2.913 234 1HB ALA 43 1HB ALA 43 4.718 -14.389 -1.528 235 2HB ALA 43 2HB ALA 43 4.924 -14.245 -3.273 236 3HB ALA 43 3HB ALA 43 3.394 -14.821 -2.610 237 H GLN 44 H GLN 44 5.434 -11.715 -0.873 238 HA GLN 44 HA GLN 44 3.957 -11.921 1.600 239 1HB GLN 44 1HB GLN 44 6.621 -10.723 0.846 240 2HB GLN 44 2HB GLN 44 5.968 -10.620 2.476 241 1HG GLN 44 1HG GLN 44 6.401 -13.227 1.048 242 2HG GLN 44 2HG GLN 44 7.628 -12.463 2.058 243 1HE2 GLN 44 1HE2 GLN 44 6.328 -11.562 4.182 244 2HE2 GLN 44 2HE2 GLN 44 5.537 -12.841 5.034 245 H ILE 45 H ILE 45 4.623 -9.604 -0.862 246 HA ILE 45 HA ILE 45 3.994 -7.224 0.505 247 HB ILE 45 HB ILE 45 3.933 -7.935 -2.427 248 1HG1 ILE 45 1HG1 ILE 45 6.129 -7.926 -1.209 249 2HG1 ILE 45 2HG1 ILE 45 6.037 -6.780 -2.543 250 1HG2 ILE 45 1HG2 ILE 45 2.380 -6.019 -1.779 251 2HG2 ILE 45 2HG2 ILE 45 3.583 -5.700 -3.024 252 3HG2 ILE 45 3HG2 ILE 45 3.847 -5.129 -1.380 253 1HD1 ILE 45 1HD1 ILE 45 7.126 -5.712 -0.737 254 2HD1 ILE 45 2HD1 ILE 45 5.855 -6.184 0.392 255 3HD1 ILE 45 3HD1 ILE 45 5.516 -5.003 -0.873 256 H LYS 46 H LYS 46 2.010 -9.525 -1.326 257 HA LYS 46 HA LYS 46 -0.363 -8.039 -1.427 258 1HB LYS 46 1HB LYS 46 -0.447 -11.003 -0.984 259 2HB LYS 46 2HB LYS 46 -1.448 -10.009 -2.033 260 1HG LYS 46 1HG LYS 46 0.690 -9.639 -3.395 261 2HG LYS 46 2HG LYS 46 1.334 -11.009 -2.489 262 1HD LYS 46 1HD LYS 46 0.076 -12.498 -3.611 263 2HD LYS 46 2HD LYS 46 -1.339 -11.445 -3.615 264 1HE LYS 46 1HE LYS 46 -0.241 -10.101 -5.408 265 2HE LYS 46 2HE LYS 46 1.035 -11.317 -5.467 266 1HZ LYS 46 1HZ LYS 46 -0.320 -12.126 -7.073 267 2HZ LYS 46 2HZ LYS 46 -1.726 -11.473 -6.398 268 3HZ LYS 46 3HZ LYS 46 -1.055 -12.884 -5.750 269 H ILE 47 H ILE 47 0.777 -10.385 0.958 270 HA ILE 47 HA ILE 47 -1.403 -10.070 2.756 271 HB ILE 47 HB ILE 47 1.245 -11.396 2.793 272 1HG1 ILE 47 1HG1 ILE 47 -1.120 -12.536 4.160 273 2HG1 ILE 47 2HG1 ILE 47 -1.296 -12.244 2.432 274 1HG2 ILE 47 1HG2 ILE 47 -0.135 -10.548 5.330 275 2HG2 ILE 47 2HG2 ILE 47 1.529 -10.228 4.839 276 3HG2 ILE 47 3HG2 ILE 47 1.031 -11.870 5.255 277 1HD1 ILE 47 1HD1 ILE 47 0.858 -13.541 2.142 278 2HD1 ILE 47 2HD1 ILE 47 -0.564 -14.459 2.640 279 3HD1 ILE 47 3HD1 ILE 47 0.668 -14.028 3.827 280 H TRP 48 H TRP 48 1.805 -8.718 2.490 281 HA TRP 48 HA TRP 48 1.964 -7.280 4.869 282 1HB TRP 48 1HB TRP 48 3.849 -7.735 3.365 283 2HB TRP 48 2HB TRP 48 3.127 -6.721 2.131 284 HD1 TRP 48 HD1 TRP 48 5.588 -6.644 4.862 285 HE1 TRP 48 HE1 TRP 48 6.392 -4.237 5.250 286 HE3 TRP 48 HE3 TRP 48 2.035 -4.111 2.218 287 HZ2 TRP 48 HZ2 TRP 48 5.644 -1.628 4.561 288 HZ3 TRP 48 HZ3 TRP 48 2.148 -1.664 2.134 289 HH2 TRP 48 HH2 TRP 48 3.923 -0.450 3.273 290 H PHE 49 H PHE 49 0.898 -6.237 1.656 291 HA PHE 49 HA PHE 49 0.151 -3.640 2.531 292 1HB PHE 49 1HB PHE 49 -0.129 -5.177 0.002 293 2HB PHE 49 2HB PHE 49 -1.181 -3.776 0.239 294 HD1 PHE 49 HD1 PHE 49 2.273 -4.912 -0.097 295 HD2 PHE 49 HD2 PHE 49 -0.295 -1.561 0.363 296 HE1 PHE 49 HE1 PHE 49 4.163 -3.415 -0.585 297 HE2 PHE 49 HE2 PHE 49 1.591 -0.044 -0.138 298 HZ PHE 49 HZ PHE 49 3.830 -0.986 -0.585 299 H GLN 50 H GLN 50 -1.646 -6.614 1.973 300 HA GLN 50 HA GLN 50 -4.177 -5.470 2.484 301 1HB GLN 50 1HB GLN 50 -3.192 -8.323 2.575 302 2HB GLN 50 2HB GLN 50 -4.871 -7.885 2.856 303 1HG GLN 50 1HG GLN 50 -3.937 -6.666 0.438 304 2HG GLN 50 2HG GLN 50 -3.610 -8.397 0.410 305 1HE2 GLN 50 1HE2 GLN 50 -5.331 -9.850 0.504 306 2HE2 GLN 50 2HE2 GLN 50 -6.954 -9.367 0.157 307 H ASN 51 H ASN 51 -1.661 -6.800 4.525 308 HA ASN 51 HA ASN 51 -3.294 -7.039 6.863 309 1HB ASN 51 1HB ASN 51 -1.199 -8.340 6.498 310 2HB ASN 51 2HB ASN 51 -0.281 -6.850 6.683 311 1HD2 ASN 51 1HD2 ASN 51 -1.522 -9.510 8.245 312 2HD2 ASN 51 2HD2 ASN 51 -1.371 -8.959 9.876 313 H LYS 52 H LYS 52 -1.412 -4.501 5.401 314 HA LYS 52 HA LYS 52 -1.247 -2.837 7.709 315 1HB LYS 52 1HB LYS 52 -0.293 -2.782 5.030 316 2HB LYS 52 2HB LYS 52 -1.154 -1.276 5.318 317 1HG LYS 52 1HG LYS 52 0.226 -0.869 7.297 318 2HG LYS 52 2HG LYS 52 1.098 -2.372 6.990 319 1HD LYS 52 1HD LYS 52 2.155 -1.530 5.115 320 2HD LYS 52 2HD LYS 52 0.919 -0.300 4.845 321 1HE LYS 52 1HE LYS 52 1.768 0.619 7.146 322 2HE LYS 52 2HE LYS 52 3.217 -0.302 6.749 323 1HZ LYS 52 1HZ LYS 52 3.770 1.109 5.103 324 2HZ LYS 52 2HZ LYS 52 2.821 2.204 5.976 325 3HZ LYS 52 3HZ LYS 52 2.168 1.398 4.640 326 H ARG 53 H ARG 53 -3.629 -3.329 5.211 327 HA ARG 53 HA ARG 53 -5.113 -0.941 5.905 328 1HB ARG 53 1HB ARG 53 -4.983 -1.843 3.569 329 2HB ARG 53 2HB ARG 53 -5.952 -3.212 4.099 330 1HG ARG 53 1HG ARG 53 -7.830 -1.836 4.523 331 2HG ARG 53 2HG ARG 53 -6.872 -0.363 4.358 332 1HD ARG 53 1HD ARG 53 -7.400 -2.342 2.145 333 2HD ARG 53 2HD ARG 53 -8.285 -0.836 2.382 334 HE ARG 53 HE ARG 53 -5.445 -0.474 2.176 335 1HH1 ARG 53 1HH1 ARG 53 -8.418 -0.792 0.378 336 2HH1 ARG 53 2HH1 ARG 53 -7.814 0.045 -1.012 337 1HH2 ARG 53 1HH2 ARG 53 -4.647 0.628 0.348 338 2HH2 ARG 53 2HH2 ARG 53 -5.673 0.852 -1.029 339 H ALA 54 H ALA 54 -4.700 -3.629 7.588 340 HA ALA 54 HA ALA 54 -7.446 -4.334 8.139 341 1HB ALA 54 1HB ALA 54 -5.173 -5.749 8.298 342 2HB ALA 54 2HB ALA 54 -6.623 -6.138 9.223 343 3HB ALA 54 3HB ALA 54 -5.315 -5.227 9.977 344 H LYS 55 H LYS 55 -4.991 -2.257 9.479 345 HA LYS 55 HA LYS 55 -6.533 -1.799 11.910 346 1HB LYS 55 1HB LYS 55 -4.616 -0.273 12.489 347 2HB LYS 55 2HB LYS 55 -4.188 -1.965 12.280 348 1HG LYS 55 1HG LYS 55 -3.926 -0.634 9.772 349 2HG LYS 55 2HG LYS 55 -3.079 0.295 11.008 350 1HD LYS 55 1HD LYS 55 -2.619 -2.575 11.231 351 2HD LYS 55 2HD LYS 55 -2.099 -1.914 9.679 352 1HE LYS 55 1HE LYS 55 -0.765 -0.231 10.832 353 2HE LYS 55 2HE LYS 55 -1.307 -0.854 12.390 354 1HZ LYS 55 1HZ LYS 55 -0.329 -3.069 11.372 355 2HZ LYS 55 2HZ LYS 55 0.644 -1.964 12.204 356 3HZ LYS 55 3HZ LYS 55 0.630 -1.970 10.513 357 H ILE 56 H ILE 56 -5.611 -0.154 8.941 358 HA ILE 56 HA ILE 56 -6.250 1.827 8.009 359 HB ILE 56 HB ILE 56 -8.800 1.407 9.567 360 1HG1 ILE 56 1HG1 ILE 56 -8.694 0.516 6.766 361 2HG1 ILE 56 2HG1 ILE 56 -7.680 -0.424 7.857 362 1HG2 ILE 56 1HG2 ILE 56 -9.207 3.410 8.623 363 2HG2 ILE 56 2HG2 ILE 56 -9.527 2.442 7.184 364 3HG2 ILE 56 3HG2 ILE 56 -7.954 3.208 7.399 365 1HD1 ILE 56 1HD1 ILE 56 -10.468 0.127 8.696 366 2HD1 ILE 56 2HD1 ILE 56 -9.453 -1.288 8.978 367 3HD1 ILE 56 3HD1 ILE 56 -10.202 -1.040 7.400 368 H LYS 57 H LYS 57 -4.914 3.350 8.895 369 HA LYS 57 HA LYS 57 -5.054 4.357 11.504 370 1HB LYS 57 1HB LYS 57 -3.839 5.320 8.947 371 2HB LYS 57 2HB LYS 57 -3.901 6.412 10.324 372 1HG LYS 57 1HG LYS 57 -2.787 3.660 10.647 373 2HG LYS 57 2HG LYS 57 -1.804 4.946 9.942 374 1HD LYS 57 1HD LYS 57 -2.674 6.270 12.066 375 2HD LYS 57 2HD LYS 57 -2.834 4.636 12.714 376 1HE LYS 57 1HE LYS 57 -0.683 5.169 13.340 377 2HE LYS 57 2HE LYS 57 -0.409 4.340 11.809 378 1HZ LYS 57 1HZ LYS 57 -0.236 6.468 10.707 379 2HZ LYS 57 2HZ LYS 57 0.872 6.393 11.984 380 3HZ LYS 57 3HZ LYS 57 -0.555 7.286 12.154 381 H LYS 58 H LYS 58 -6.280 5.862 12.467 382 HA LYS 58 HA LYS 58 -7.805 7.760 10.874 383 1HB LYS 58 1HB LYS 58 -9.076 5.476 11.429 384 2HB LYS 58 2HB LYS 58 -9.379 6.315 12.943 385 1HG LYS 58 1HG LYS 58 -10.011 7.487 10.249 386 2HG LYS 58 2HG LYS 58 -11.163 6.553 11.205 387 1HD LYS 58 1HD LYS 58 -11.733 8.510 12.129 388 2HD LYS 58 2HD LYS 58 -10.213 8.390 13.018 389 1HE LYS 58 1HE LYS 58 -9.491 10.234 12.017 390 2HE LYS 58 2HE LYS 58 -9.620 9.431 10.452 391 1HZ LYS 58 1HZ LYS 58 -11.973 10.668 11.743 392 2HZ LYS 58 2HZ LYS 58 -11.748 10.276 10.113 393 3HZ LYS 58 3HZ LYS 58 -10.912 11.580 10.791 394 H SER 59 H SER 59 -7.336 6.488 14.168 395 HA SER 59 HA SER 59 -8.004 8.834 15.537 396 1HB SER 59 1HB SER 59 -6.229 6.507 16.272 397 2HB SER 59 2HB SER 59 -6.559 7.830 17.390 398 HG SER 59 HG SER 59 -8.550 7.137 17.646 Start of MODEL 5 1 1H ALA 16 1H ALA 16 -22.260 9.001 -9.859 2 2H ALA 16 2H ALA 16 -22.445 7.665 -10.921 3 3H ALA 16 3H ALA 16 -22.861 9.246 -11.444 4 HA ALA 16 HA ALA 16 -20.818 8.642 -12.396 5 1HB ALA 16 1HB ALA 16 -21.309 10.955 -11.119 6 2HB ALA 16 2HB ALA 16 -19.831 10.638 -12.028 7 3HB ALA 16 3HB ALA 16 -19.847 10.445 -10.275 8 H LYS 17 H LYS 17 -19.254 7.179 -12.346 9 HA LYS 17 HA LYS 17 -18.449 6.048 -9.773 10 1HB LYS 17 1HB LYS 17 -18.136 5.124 -12.623 11 2HB LYS 17 2HB LYS 17 -17.284 4.350 -11.295 12 1HG LYS 17 1HG LYS 17 -19.338 3.697 -10.265 13 2HG LYS 17 2HG LYS 17 -20.275 4.648 -11.420 14 1HD LYS 17 1HD LYS 17 -18.465 2.678 -12.631 15 2HD LYS 17 2HD LYS 17 -19.762 1.985 -11.655 16 1HE LYS 17 1HE LYS 17 -20.766 2.126 -13.724 17 2HE LYS 17 2HE LYS 17 -21.269 3.644 -12.983 18 1HZ LYS 17 1HZ LYS 17 -18.771 3.717 -14.463 19 2HZ LYS 17 2HZ LYS 17 -20.026 4.849 -14.399 20 3HZ LYS 17 3HZ LYS 17 -20.167 3.487 -15.391 21 H ARG 18 H ARG 18 -16.534 6.438 -8.865 22 HA ARG 18 HA ARG 18 -14.719 8.287 -10.112 23 1HB ARG 18 1HB ARG 18 -14.295 6.767 -7.539 24 2HB ARG 18 2HB ARG 18 -13.531 8.272 -8.032 25 1HG ARG 18 1HG ARG 18 -16.445 7.893 -7.372 26 2HG ARG 18 2HG ARG 18 -15.232 8.675 -6.355 27 1HD ARG 18 1HD ARG 18 -14.899 10.386 -8.074 28 2HD ARG 18 2HD ARG 18 -16.110 9.603 -9.089 29 HE ARG 18 HE ARG 18 -17.336 10.134 -6.666 30 1HH1 ARG 18 1HH1 ARG 18 -15.848 11.963 -9.240 31 2HH1 ARG 18 2HH1 ARG 18 -16.841 13.360 -8.990 32 1HH2 ARG 18 1HH2 ARG 18 -18.642 11.970 -6.336 33 2HH2 ARG 18 2HH2 ARG 18 -18.427 13.364 -7.341 34 H GLU 19 H GLU 19 -14.468 4.924 -8.965 35 HA GLU 19 HA GLU 19 -13.104 3.208 -9.568 36 1HB GLU 19 1HB GLU 19 -13.987 4.160 -11.885 37 2HB GLU 19 2HB GLU 19 -12.292 4.579 -12.089 38 1HG GLU 19 1HG GLU 19 -11.643 2.431 -12.320 39 2HG GLU 19 2HG GLU 19 -12.858 1.826 -11.195 40 H PHE 20 H PHE 20 -11.720 3.997 -7.811 41 HA PHE 20 HA PHE 20 -9.346 5.483 -8.575 42 1HB PHE 20 1HB PHE 20 -8.748 5.311 -6.186 43 2HB PHE 20 2HB PHE 20 -10.370 5.960 -6.410 44 HD1 PHE 20 HD1 PHE 20 -8.589 2.759 -5.769 45 HD2 PHE 20 HD2 PHE 20 -12.134 5.048 -5.229 46 HE1 PHE 20 HE1 PHE 20 -9.479 1.016 -4.281 47 HE2 PHE 20 HE2 PHE 20 -13.032 3.310 -3.736 48 HZ PHE 20 HZ PHE 20 -11.705 1.291 -3.260 49 H ASN 21 H ASN 21 -7.300 4.466 -7.265 50 HA ASN 21 HA ASN 21 -6.891 1.853 -8.533 51 1HB ASN 21 1HB ASN 21 -4.972 3.974 -7.582 52 2HB ASN 21 2HB ASN 21 -4.453 2.362 -8.063 53 1HD2 ASN 21 1HD2 ASN 21 -6.437 5.052 -9.242 54 2HD2 ASN 21 2HD2 ASN 21 -5.931 4.928 -10.889 55 H GLU 22 H GLU 22 -7.595 0.348 -7.101 56 HA GLU 22 HA GLU 22 -7.457 0.451 -4.324 57 1HB GLU 22 1HB GLU 22 -7.323 -2.006 -6.086 58 2HB GLU 22 2HB GLU 22 -7.733 -1.993 -4.376 59 1HG GLU 22 1HG GLU 22 -9.773 -0.893 -4.767 60 2HG GLU 22 2HG GLU 22 -9.317 -0.470 -6.416 61 H ASN 23 H ASN 23 -5.198 -0.969 -6.644 62 HA ASN 23 HA ASN 23 -2.992 -0.473 -4.847 63 1HB ASN 23 1HB ASN 23 -3.322 -3.275 -5.876 64 2HB ASN 23 2HB ASN 23 -2.204 -2.680 -4.658 65 1HD2 ASN 23 1HD2 ASN 23 -3.037 -2.101 -2.593 66 2HD2 ASN 23 2HD2 ASN 23 -4.499 -2.810 -2.008 67 H ARG 24 H ARG 24 -2.520 0.950 -6.545 68 HA ARG 24 HA ARG 24 -0.871 -0.214 -8.610 69 1HB ARG 24 1HB ARG 24 -3.296 1.450 -9.327 70 2HB ARG 24 2HB ARG 24 -2.018 1.009 -10.450 71 1HG ARG 24 1HG ARG 24 -3.788 -0.949 -9.002 72 2HG ARG 24 2HG ARG 24 -4.032 -0.390 -10.656 73 1HD ARG 24 1HD ARG 24 -1.882 -1.317 -11.310 74 2HD ARG 24 2HD ARG 24 -1.580 -1.832 -9.652 75 HE ARG 24 HE ARG 24 -2.870 -3.669 -10.048 76 1HH1 ARG 24 1HH1 ARG 24 -3.664 -1.237 -12.424 77 2HH1 ARG 24 2HH1 ARG 24 -4.718 -2.278 -13.320 78 1HH2 ARG 24 1HH2 ARG 24 -4.258 -5.038 -11.226 79 2HH2 ARG 24 2HH2 ARG 24 -5.056 -4.436 -12.640 80 H TYR 25 H TYR 25 -2.550 2.865 -8.096 81 HA TYR 25 HA TYR 25 -0.830 4.716 -8.911 82 1HB TYR 25 1HB TYR 25 -1.683 6.228 -7.202 83 2HB TYR 25 2HB TYR 25 -2.980 5.195 -7.795 84 HD1 TYR 25 HD1 TYR 25 -3.142 2.879 -6.367 85 HD2 TYR 25 HD2 TYR 25 -1.656 6.597 -4.930 86 HE1 TYR 25 HE1 TYR 25 -3.618 2.167 -4.068 87 HE2 TYR 25 HE2 TYR 25 -2.135 5.897 -2.620 88 HH TYR 25 HH TYR 25 -4.125 3.614 -1.764 89 H LEU 26 H LEU 26 -0.540 3.169 -5.722 90 HA LEU 26 HA LEU 26 2.244 4.115 -5.628 91 1HB LEU 26 1HB LEU 26 2.042 4.821 -3.494 92 2HB LEU 26 2HB LEU 26 0.365 4.999 -3.960 93 HG LEU 26 HG LEU 26 0.341 4.015 -1.823 94 1HD1 LEU 26 1HD1 LEU 26 0.027 1.419 -3.069 95 2HD1 LEU 26 2HD1 LEU 26 -0.761 2.704 -3.981 96 3HD1 LEU 26 3HD1 LEU 26 -1.165 2.453 -2.286 97 1HD2 LEU 26 1HD2 LEU 26 1.898 2.658 -0.970 98 2HD2 LEU 26 2HD2 LEU 26 2.842 3.099 -2.392 99 3HD2 LEU 26 3HD2 LEU 26 1.901 1.608 -2.387 100 H THR 27 H THR 27 0.120 1.445 -5.460 101 HA THR 27 HA THR 27 1.525 -0.373 -3.920 102 HB THR 27 HB THR 27 -0.248 -0.725 -6.326 103 HG1 THR 27 HG1 THR 27 -1.050 -0.011 -4.216 104 1HG2 THR 27 1HG2 THR 27 0.391 -2.832 -6.544 105 2HG2 THR 27 2HG2 THR 27 -0.285 -3.121 -4.941 106 3HG2 THR 27 3HG2 THR 27 1.427 -2.739 -5.121 107 H GLU 28 H GLU 28 1.555 -0.382 -7.486 108 HA GLU 28 HA GLU 28 3.765 -2.039 -7.774 109 1HB GLU 28 1HB GLU 28 2.871 0.133 -9.674 110 2HB GLU 28 2HB GLU 28 3.868 -1.257 -10.080 111 1HG GLU 28 1HG GLU 28 2.112 -2.694 -10.088 112 2HG GLU 28 2HG GLU 28 1.221 -1.790 -8.863 113 H ARG 29 H ARG 29 3.622 1.483 -7.502 114 HA ARG 29 HA ARG 29 6.321 1.982 -8.139 115 1HB ARG 29 1HB ARG 29 4.126 3.538 -7.620 116 2HB ARG 29 2HB ARG 29 5.114 3.819 -6.193 117 1HG ARG 29 1HG ARG 29 5.926 4.253 -9.059 118 2HG ARG 29 2HG ARG 29 5.589 5.493 -7.850 119 1HD ARG 29 1HD ARG 29 7.534 5.029 -6.653 120 2HD ARG 29 2HD ARG 29 7.715 3.435 -7.385 121 HE ARG 29 HE ARG 29 8.807 4.400 -9.158 122 1HH1 ARG 29 1HH1 ARG 29 7.263 6.896 -7.269 123 2HH1 ARG 29 2HH1 ARG 29 8.046 8.191 -8.113 124 1HH2 ARG 29 1HH2 ARG 29 9.835 6.101 -10.268 125 2HH2 ARG 29 2HH2 ARG 29 9.503 7.740 -9.816 126 H ARG 30 H ARG 30 4.695 1.551 -5.013 127 HA ARG 30 HA ARG 30 7.162 1.767 -3.546 128 1HB ARG 30 1HB ARG 30 4.541 2.141 -2.890 129 2HB ARG 30 2HB ARG 30 4.847 0.560 -2.185 130 1HG ARG 30 1HG ARG 30 6.486 1.387 -0.747 131 2HG ARG 30 2HG ARG 30 6.684 2.872 -1.679 132 1HD ARG 30 1HD ARG 30 4.290 3.417 -1.054 133 2HD ARG 30 2HD ARG 30 4.385 2.081 0.093 134 HE ARG 30 HE ARG 30 6.514 3.990 0.370 135 1HH1 ARG 30 1HH1 ARG 30 3.238 3.210 1.282 136 2HH1 ARG 30 2HH1 ARG 30 3.285 4.152 2.734 137 1HH2 ARG 30 1HH2 ARG 30 6.579 5.229 2.280 138 2HH2 ARG 30 2HH2 ARG 30 5.182 5.299 3.301 139 H ARG 31 H ARG 31 5.352 -0.786 -5.011 140 HA ARG 31 HA ARG 31 6.161 -2.963 -3.455 141 1HB ARG 31 1HB ARG 31 4.890 -2.539 -6.019 142 2HB ARG 31 2HB ARG 31 6.010 -3.890 -6.098 143 1HG ARG 31 1HG ARG 31 4.868 -5.086 -4.445 144 2HG ARG 31 2HG ARG 31 3.973 -3.661 -3.912 145 1HD ARG 31 1HD ARG 31 2.321 -4.514 -5.175 146 2HD ARG 31 2HD ARG 31 3.220 -3.797 -6.512 147 HE ARG 31 HE ARG 31 4.327 -6.250 -6.280 148 1HH1 ARG 31 1HH1 ARG 31 1.026 -5.151 -6.554 149 2HH1 ARG 31 2HH1 ARG 31 0.485 -6.582 -7.364 150 1HH2 ARG 31 1HH2 ARG 31 3.618 -8.133 -7.346 151 2HH2 ARG 31 2HH2 ARG 31 1.956 -8.276 -7.815 152 H GLN 32 H GLN 32 7.715 -1.397 -6.211 153 HA GLN 32 HA GLN 32 9.805 -3.253 -6.536 154 1HB GLN 32 1HB GLN 32 8.984 -0.906 -7.789 155 2HB GLN 32 2HB GLN 32 10.584 -0.522 -7.167 156 1HG GLN 32 1HG GLN 32 11.593 -2.245 -8.408 157 2HG GLN 32 2HG GLN 32 10.041 -2.998 -8.771 158 1HE2 GLN 32 1HE2 GLN 32 11.618 0.163 -9.148 159 2HE2 GLN 32 2HE2 GLN 32 11.094 0.420 -10.775 160 H GLN 33 H GLN 33 9.619 -0.241 -4.673 161 HA GLN 33 HA GLN 33 12.292 -0.476 -3.680 162 1HB GLN 33 1HB GLN 33 10.065 1.235 -2.570 163 2HB GLN 33 2HB GLN 33 11.795 1.470 -2.356 164 1HG GLN 33 1HG GLN 33 10.465 1.570 -5.046 165 2HG GLN 33 2HG GLN 33 10.645 2.986 -4.009 166 1HE2 GLN 33 1HE2 GLN 33 11.844 3.757 -5.916 167 2HE2 GLN 33 2HE2 GLN 33 13.526 3.384 -6.030 168 H LEU 34 H LEU 34 9.072 -1.130 -2.336 169 HA LEU 34 HA LEU 34 9.948 -1.774 0.262 170 1HB LEU 34 1HB LEU 34 7.483 -2.314 -1.323 171 2HB LEU 34 2HB LEU 34 7.730 -3.206 0.165 172 HG LEU 34 HG LEU 34 7.469 -0.220 -0.149 173 1HD1 LEU 34 1HD1 LEU 34 5.501 -1.994 -0.015 174 2HD1 LEU 34 2HD1 LEU 34 5.405 -0.420 0.778 175 3HD1 LEU 34 3HD1 LEU 34 5.843 -1.853 1.708 176 1HD2 LEU 34 1HD2 LEU 34 9.126 -0.437 1.499 177 2HD2 LEU 34 2HD2 LEU 34 8.366 -1.866 2.197 178 3HD2 LEU 34 3HD2 LEU 34 7.617 -0.282 2.397 179 H SER 35 H SER 35 9.474 -3.741 -2.629 180 HA SER 35 HA SER 35 9.935 -6.236 -1.396 181 1HB SER 35 1HB SER 35 8.899 -5.841 -3.677 182 2HB SER 35 2HB SER 35 10.531 -5.556 -4.281 183 HG SER 35 HG SER 35 9.377 -7.927 -3.314 184 H SER 36 H SER 36 12.085 -4.072 -3.232 185 HA SER 36 HA SER 36 14.405 -5.666 -2.899 186 1HB SER 36 1HB SER 36 14.360 -4.117 -4.717 187 2HB SER 36 2HB SER 36 14.028 -2.762 -3.637 188 HG SER 36 HG SER 36 16.086 -2.816 -2.915 189 H GLU 37 H GLU 37 13.176 -2.827 -1.162 190 HA GLU 37 HA GLU 37 15.395 -2.497 0.536 191 1HB GLU 37 1HB GLU 37 13.491 -0.859 0.084 192 2HB GLU 37 2HB GLU 37 12.562 -1.776 1.262 193 1HG GLU 37 1HG GLU 37 13.453 0.024 2.452 194 2HG GLU 37 2HG GLU 37 14.470 -1.352 2.877 195 H LEU 38 H LEU 38 12.338 -4.241 1.005 196 HA LEU 38 HA LEU 38 13.189 -5.187 3.606 197 1HB LEU 38 1HB LEU 38 10.722 -5.646 1.947 198 2HB LEU 38 2HB LEU 38 11.010 -6.502 3.450 199 HG LEU 38 HG LEU 38 11.176 -3.537 3.529 200 1HD1 LEU 38 1HD1 LEU 38 8.829 -3.215 3.620 201 2HD1 LEU 38 2HD1 LEU 38 8.520 -4.950 3.537 202 3HD1 LEU 38 3HD1 LEU 38 9.164 -4.100 2.132 203 1HD2 LEU 38 1HD2 LEU 38 9.764 -4.230 5.657 204 2HD2 LEU 38 2HD2 LEU 38 11.521 -4.382 5.618 205 3HD2 LEU 38 3HD2 LEU 38 10.507 -5.797 5.335 206 H GLY 39 H GLY 39 13.365 -6.251 0.343 207 1HA GLY 39 1HA GLY 39 14.411 -8.094 -0.557 208 2HA GLY 39 2HA GLY 39 14.912 -8.535 1.068 209 H LEU 40 H LEU 40 11.553 -8.039 0.298 210 HA LEU 40 HA LEU 40 11.116 -10.930 0.625 211 1HB LEU 40 1HB LEU 40 8.664 -9.917 1.040 212 2HB LEU 40 2HB LEU 40 9.836 -10.167 2.319 213 HG LEU 40 HG LEU 40 10.543 -7.756 1.974 214 1HD1 LEU 40 1HD1 LEU 40 7.905 -7.160 0.815 215 2HD1 LEU 40 2HD1 LEU 40 9.082 -7.873 -0.286 216 3HD1 LEU 40 3HD1 LEU 40 9.463 -6.374 0.562 217 1HD2 LEU 40 1HD2 LEU 40 7.831 -8.543 2.993 218 2HD2 LEU 40 2HD2 LEU 40 8.444 -6.897 3.145 219 3HD2 LEU 40 3HD2 LEU 40 9.307 -8.232 3.909 220 H ASN 41 H ASN 41 9.252 -11.837 -0.531 221 HA ASN 41 HA ASN 41 9.248 -10.898 -3.276 222 1HB ASN 41 1HB ASN 41 7.851 -13.017 -3.626 223 2HB ASN 41 2HB ASN 41 9.526 -13.234 -3.128 224 1HD2 ASN 41 1HD2 ASN 41 6.225 -13.104 -1.944 225 2HD2 ASN 41 2HD2 ASN 41 6.462 -14.164 -0.601 226 H GLU 42 H GLU 42 7.281 -10.626 -4.489 227 HA GLU 42 HA GLU 42 5.498 -8.809 -3.391 228 1HB GLU 42 1HB GLU 42 5.028 -10.673 -5.728 229 2HB GLU 42 2HB GLU 42 4.122 -9.202 -5.395 230 1HG GLU 42 1HG GLU 42 5.910 -7.825 -5.956 231 2HG GLU 42 2HG GLU 42 7.088 -9.124 -5.779 232 H ALA 43 H ALA 43 5.389 -12.294 -3.435 233 HA ALA 43 HA ALA 43 2.675 -12.710 -2.875 234 1HB ALA 43 1HB ALA 43 4.617 -14.485 -1.520 235 2HB ALA 43 2HB ALA 43 4.744 -14.365 -3.275 236 3HB ALA 43 3HB ALA 43 3.230 -14.886 -2.535 237 H GLN 44 H GLN 44 5.366 -11.803 -0.845 238 HA GLN 44 HA GLN 44 3.891 -11.997 1.633 239 1HB GLN 44 1HB GLN 44 6.599 -10.952 0.846 240 2HB GLN 44 2HB GLN 44 5.954 -10.670 2.456 241 1HG GLN 44 1HG GLN 44 6.340 -13.386 1.221 242 2HG GLN 44 2HG GLN 44 7.474 -12.610 2.326 243 1HE2 GLN 44 1HE2 GLN 44 5.920 -11.550 4.227 244 2HE2 GLN 44 2HE2 GLN 44 5.023 -12.775 5.050 245 H ILE 45 H ILE 45 4.621 -9.689 -0.820 246 HA ILE 45 HA ILE 45 4.048 -7.298 0.552 247 HB ILE 45 HB ILE 45 3.960 -7.990 -2.384 248 1HG1 ILE 45 1HG1 ILE 45 6.157 -8.058 -1.141 249 2HG1 ILE 45 2HG1 ILE 45 6.106 -6.951 -2.510 250 1HG2 ILE 45 1HG2 ILE 45 3.915 -5.213 -1.241 251 2HG2 ILE 45 2HG2 ILE 45 2.470 -6.054 -1.799 252 3HG2 ILE 45 3HG2 ILE 45 3.772 -5.691 -2.929 253 1HD1 ILE 45 1HD1 ILE 45 7.238 -5.849 -0.759 254 2HD1 ILE 45 2HD1 ILE 45 5.986 -6.270 0.412 255 3HD1 ILE 45 3HD1 ILE 45 5.639 -5.110 -0.870 256 H LYS 46 H LYS 46 2.009 -9.542 -1.294 257 HA LYS 46 HA LYS 46 -0.319 -7.996 -1.408 258 1HB LYS 46 1HB LYS 46 0.093 -10.188 -2.588 259 2HB LYS 46 2HB LYS 46 -0.216 -10.997 -1.058 260 1HG LYS 46 1HG LYS 46 -2.470 -9.906 -1.039 261 2HG LYS 46 2HG LYS 46 -2.139 -9.353 -2.681 262 1HD LYS 46 1HD LYS 46 -1.598 -12.181 -2.383 263 2HD LYS 46 2HD LYS 46 -3.257 -11.789 -1.928 264 1HE LYS 46 1HE LYS 46 -3.207 -12.310 -4.270 265 2HE LYS 46 2HE LYS 46 -3.507 -10.583 -4.083 266 1HZ LYS 46 1HZ LYS 46 -0.892 -10.527 -4.289 267 2HZ LYS 46 2HZ LYS 46 -1.892 -10.518 -5.653 268 3HZ LYS 46 3HZ LYS 46 -1.161 -11.958 -5.150 269 H ILE 47 H ILE 47 0.750 -10.349 1.003 270 HA ILE 47 HA ILE 47 -1.436 -9.972 2.793 271 HB ILE 47 HB ILE 47 1.178 -11.362 2.837 272 1HG1 ILE 47 1HG1 ILE 47 -0.446 -13.016 4.101 273 2HG1 ILE 47 2HG1 ILE 47 -1.691 -11.970 3.425 274 1HG2 ILE 47 1HG2 ILE 47 0.981 -11.789 5.307 275 2HG2 ILE 47 2HG2 ILE 47 -0.156 -10.443 5.374 276 3HG2 ILE 47 3HG2 ILE 47 1.509 -10.165 4.861 277 1HD1 ILE 47 1HD1 ILE 47 -0.843 -12.408 1.184 278 2HD1 ILE 47 2HD1 ILE 47 -1.288 -13.900 2.011 279 3HD1 ILE 47 3HD1 ILE 47 0.411 -13.448 1.859 280 H TRP 48 H TRP 48 1.804 -8.695 2.515 281 HA TRP 48 HA TRP 48 1.989 -7.237 4.881 282 1HB TRP 48 1HB TRP 48 3.870 -7.735 3.392 283 2HB TRP 48 2HB TRP 48 3.166 -6.732 2.140 284 HD1 TRP 48 HD1 TRP 48 5.629 -6.640 4.867 285 HE1 TRP 48 HE1 TRP 48 6.456 -4.236 5.221 286 HE3 TRP 48 HE3 TRP 48 2.098 -4.109 2.194 287 HZ2 TRP 48 HZ2 TRP 48 5.731 -1.630 4.500 288 HZ3 TRP 48 HZ3 TRP 48 2.233 -1.666 2.078 289 HH2 TRP 48 HH2 TRP 48 4.021 -0.457 3.196 290 H PHE 49 H PHE 49 0.950 -6.201 1.654 291 HA PHE 49 HA PHE 49 0.219 -3.586 2.509 292 1HB PHE 49 1HB PHE 49 -0.071 -5.141 -0.012 293 2HB PHE 49 2HB PHE 49 -1.110 -3.729 0.218 294 HD1 PHE 49 HD1 PHE 49 2.326 -4.902 -0.088 295 HD2 PHE 49 HD2 PHE 49 -0.211 -1.523 0.296 296 HE1 PHE 49 HE1 PHE 49 4.233 -3.435 -0.607 297 HE2 PHE 49 HE2 PHE 49 1.694 -0.031 -0.218 298 HZ PHE 49 HZ PHE 49 3.926 -1.002 -0.648 299 H GLN 50 H GLN 50 -1.568 -6.541 1.891 300 HA GLN 50 HA GLN 50 -4.113 -5.462 2.359 301 1HB GLN 50 1HB GLN 50 -3.960 -7.551 1.222 302 2HB GLN 50 2HB GLN 50 -3.026 -8.272 2.525 303 1HG GLN 50 1HG GLN 50 -4.842 -8.816 3.695 304 2HG GLN 50 2HG GLN 50 -5.653 -7.292 3.337 305 1HE2 GLN 50 1HE2 GLN 50 -4.804 -10.425 1.950 306 2HE2 GLN 50 2HE2 GLN 50 -6.174 -10.536 0.904 307 H ASN 51 H ASN 51 -1.602 -6.656 4.486 308 HA ASN 51 HA ASN 51 -3.256 -6.860 6.811 309 1HB ASN 51 1HB ASN 51 -0.325 -6.976 6.252 310 2HB ASN 51 2HB ASN 51 -0.849 -6.697 7.910 311 1HD2 ASN 51 1HD2 ASN 51 -0.149 -8.644 8.684 312 2HD2 ASN 51 2HD2 ASN 51 -0.879 -10.150 8.257 313 H LYS 52 H LYS 52 -1.235 -4.368 5.383 314 HA LYS 52 HA LYS 52 -1.302 -2.590 7.597 315 1HB LYS 52 1HB LYS 52 -0.625 -2.298 4.687 316 2HB LYS 52 2HB LYS 52 -0.740 -0.878 5.717 317 1HG LYS 52 1HG LYS 52 0.865 -2.432 7.225 318 2HG LYS 52 2HG LYS 52 1.314 -2.979 5.607 319 1HD LYS 52 1HD LYS 52 2.348 -1.046 5.113 320 2HD LYS 52 2HD LYS 52 1.090 -0.069 5.874 321 1HE LYS 52 1HE LYS 52 3.060 -1.640 7.503 322 2HE LYS 52 2HE LYS 52 3.443 -0.028 6.899 323 1HZ LYS 52 1HZ LYS 52 1.089 0.451 7.992 324 2HZ LYS 52 2HZ LYS 52 2.534 0.553 8.867 325 3HZ LYS 52 3HZ LYS 52 1.572 -0.835 8.980 326 H ARG 53 H ARG 53 -3.443 -3.215 4.920 327 HA ARG 53 HA ARG 53 -5.034 -0.838 5.468 328 1HB ARG 53 1HB ARG 53 -5.633 -3.025 3.480 329 2HB ARG 53 2HB ARG 53 -6.275 -1.388 3.501 330 1HG ARG 53 1HG ARG 53 -3.335 -1.808 3.236 331 2HG ARG 53 2HG ARG 53 -4.384 -2.039 1.837 332 1HD ARG 53 1HD ARG 53 -5.101 0.194 1.867 333 2HD ARG 53 2HD ARG 53 -4.517 0.448 3.511 334 HE ARG 53 HE ARG 53 -2.292 -0.159 2.004 335 1HH1 ARG 53 1HH1 ARG 53 -4.758 2.310 1.994 336 2HH1 ARG 53 2HH1 ARG 53 -3.720 3.521 1.321 337 1HH2 ARG 53 1HH2 ARG 53 -0.924 1.432 1.120 338 2HH2 ARG 53 2HH2 ARG 53 -1.543 3.023 0.823 339 H ALA 54 H ALA 54 -4.763 -3.468 7.163 340 HA ALA 54 HA ALA 54 -7.603 -4.151 7.343 341 1HB ALA 54 1HB ALA 54 -6.625 -5.866 9.038 342 2HB ALA 54 2HB ALA 54 -5.086 -5.466 8.273 343 3HB ALA 54 3HB ALA 54 -6.407 -6.124 7.307 344 H LYS 55 H LYS 55 -6.450 -1.587 8.298 345 HA LYS 55 HA LYS 55 -7.015 -1.841 11.175 346 1HB LYS 55 1HB LYS 55 -4.770 -0.906 10.407 347 2HB LYS 55 2HB LYS 55 -5.664 0.498 9.839 348 1HG LYS 55 1HG LYS 55 -6.594 0.374 12.346 349 2HG LYS 55 2HG LYS 55 -5.000 -0.346 12.584 350 1HD LYS 55 1HD LYS 55 -3.890 1.581 11.948 351 2HD LYS 55 2HD LYS 55 -5.264 2.187 11.020 352 1HE LYS 55 1HE LYS 55 -5.116 3.540 12.957 353 2HE LYS 55 2HE LYS 55 -6.480 2.451 13.211 354 1HZ LYS 55 1HZ LYS 55 -5.406 1.335 14.847 355 2HZ LYS 55 2HZ LYS 55 -4.640 2.832 15.040 356 3HZ LYS 55 3HZ LYS 55 -3.866 1.590 14.192 357 H ILE 56 H ILE 56 -9.055 -1.731 9.136 358 HA ILE 56 HA ILE 56 -10.270 0.885 9.742 359 HB ILE 56 HB ILE 56 -10.976 -0.911 7.422 360 1HG1 ILE 56 1HG1 ILE 56 -9.438 1.665 7.204 361 2HG1 ILE 56 2HG1 ILE 56 -8.606 0.133 7.453 362 1HG2 ILE 56 1HG2 ILE 56 -12.545 0.595 6.843 363 2HG2 ILE 56 2HG2 ILE 56 -11.568 1.969 7.362 364 3HG2 ILE 56 3HG2 ILE 56 -12.474 1.033 8.550 365 1HD1 ILE 56 1HD1 ILE 56 -8.542 0.301 5.178 366 2HD1 ILE 56 2HD1 ILE 56 -10.102 1.119 5.083 367 3HD1 ILE 56 3HD1 ILE 56 -10.033 -0.617 5.391 368 H LYS 57 H LYS 57 -10.918 -0.158 11.787 369 HA LYS 57 HA LYS 57 -12.639 -2.362 11.926 370 1HB LYS 57 1HB LYS 57 -12.639 -0.003 13.809 371 2HB LYS 57 2HB LYS 57 -13.146 -1.647 14.165 372 1HG LYS 57 1HG LYS 57 -11.099 -1.841 15.045 373 2HG LYS 57 2HG LYS 57 -10.592 -2.063 13.369 374 1HD LYS 57 1HD LYS 57 -10.630 0.658 13.588 375 2HD LYS 57 2HD LYS 57 -10.118 0.173 15.205 376 1HE LYS 57 1HE LYS 57 -8.806 -1.205 12.947 377 2HE LYS 57 2HE LYS 57 -8.424 0.505 13.143 378 1HZ LYS 57 1HZ LYS 57 -6.888 -0.315 14.546 379 2HZ LYS 57 2HZ LYS 57 -7.729 -1.755 14.830 380 3HZ LYS 57 3HZ LYS 57 -8.171 -0.341 15.648 381 H LYS 58 H LYS 58 -14.940 -1.943 13.032 382 HA LYS 58 HA LYS 58 -16.395 0.119 11.553 383 1HB LYS 58 1HB LYS 58 -18.152 -1.588 10.968 384 2HB LYS 58 2HB LYS 58 -16.633 -1.750 10.096 385 1HG LYS 58 1HG LYS 58 -16.131 -3.734 11.057 386 2HG LYS 58 2HG LYS 58 -16.901 -3.313 12.588 387 1HD LYS 58 1HD LYS 58 -19.035 -3.856 11.797 388 2HD LYS 58 2HD LYS 58 -18.521 -3.802 10.110 389 1HE LYS 58 1HE LYS 58 -17.162 -5.805 10.460 390 2HE LYS 58 2HE LYS 58 -17.669 -5.856 12.148 391 1HZ LYS 58 1HZ LYS 58 -19.541 -6.028 9.852 392 2HZ LYS 58 2HZ LYS 58 -19.907 -6.270 11.486 393 3HZ LYS 58 3HZ LYS 58 -18.921 -7.375 10.668 394 H SER 59 H SER 59 -18.742 0.188 12.291 395 HA SER 59 HA SER 59 -18.812 0.567 15.079 396 1HB SER 59 1HB SER 59 -21.121 1.158 14.791 397 2HB SER 59 2HB SER 59 -20.251 1.748 13.376 398 HG SER 59 HG SER 59 -22.036 0.718 12.607 Start of MODEL 6 1 1H ALA 16 1H ALA 16 -17.355 3.635 -9.125 2 2H ALA 16 2H ALA 16 -18.459 3.502 -10.433 3 3H ALA 16 3H ALA 16 -18.414 4.934 -9.488 4 HA ALA 16 HA ALA 16 -16.463 3.923 -11.423 5 1HB ALA 16 1HB ALA 16 -17.239 6.753 -11.327 6 2HB ALA 16 2HB ALA 16 -18.549 5.633 -11.705 7 3HB ALA 16 3HB ALA 16 -17.094 5.657 -12.702 8 H LYS 17 H LYS 17 -14.451 3.887 -10.667 9 HA LYS 17 HA LYS 17 -13.576 5.283 -8.372 10 1HB LYS 17 1HB LYS 17 -12.272 3.662 -10.504 11 2HB LYS 17 2HB LYS 17 -11.245 4.687 -9.512 12 1HG LYS 17 1HG LYS 17 -11.207 2.640 -8.420 13 2HG LYS 17 2HG LYS 17 -12.399 3.573 -7.512 14 1HD LYS 17 1HD LYS 17 -13.706 1.768 -7.791 15 2HD LYS 17 2HD LYS 17 -13.958 2.409 -9.416 16 1HE LYS 17 1HE LYS 17 -13.349 0.230 -9.862 17 2HE LYS 17 2HE LYS 17 -11.803 1.068 -9.986 18 1HZ LYS 17 1HZ LYS 17 -11.808 0.438 -7.407 19 2HZ LYS 17 2HZ LYS 17 -11.158 -0.567 -8.601 20 3HZ LYS 17 3HZ LYS 17 -12.716 -0.855 -8.010 21 H ARG 18 H ARG 18 -11.797 6.869 -8.319 22 HA ARG 18 HA ARG 18 -11.160 8.448 -10.584 23 1HB ARG 18 1HB ARG 18 -13.657 9.020 -9.720 24 2HB ARG 18 2HB ARG 18 -12.726 10.114 -8.706 25 1HG ARG 18 1HG ARG 18 -12.802 11.540 -10.406 26 2HG ARG 18 2HG ARG 18 -11.635 10.487 -11.209 27 1HD ARG 18 1HD ARG 18 -13.367 9.323 -12.362 28 2HD ARG 18 2HD ARG 18 -14.617 10.116 -11.405 29 HE ARG 18 HE ARG 18 -14.510 11.900 -12.824 30 1HH1 ARG 18 1HH1 ARG 18 -11.617 9.990 -13.224 31 2HH1 ARG 18 2HH1 ARG 18 -11.048 10.906 -14.580 32 1HH2 ARG 18 1HH2 ARG 18 -13.764 13.107 -14.606 33 2HH2 ARG 18 2HH2 ARG 18 -12.267 12.676 -15.363 34 H GLU 19 H GLU 19 -10.370 10.771 -9.628 35 HA GLU 19 HA GLU 19 -8.767 11.835 -8.419 36 1HB GLU 19 1HB GLU 19 -10.187 10.183 -6.424 37 2HB GLU 19 2HB GLU 19 -8.590 10.739 -5.944 38 1HG GLU 19 1HG GLU 19 -9.268 13.049 -6.413 39 2HG GLU 19 2HG GLU 19 -10.876 12.475 -6.851 40 H PHE 20 H PHE 20 -6.817 11.449 -9.238 41 HA PHE 20 HA PHE 20 -4.865 10.407 -9.793 42 1HB PHE 20 1HB PHE 20 -3.592 9.569 -7.864 43 2HB PHE 20 2HB PHE 20 -4.404 11.087 -7.493 44 HD1 PHE 20 HD1 PHE 20 -4.628 7.419 -7.053 45 HD2 PHE 20 HD2 PHE 20 -5.885 11.248 -5.694 46 HE1 PHE 20 HE1 PHE 20 -5.668 6.372 -5.084 47 HE2 PHE 20 HE2 PHE 20 -6.927 10.211 -3.721 48 HZ PHE 20 HZ PHE 20 -6.819 7.769 -3.415 49 H ASN 21 H ASN 21 -3.581 8.140 -9.181 50 HA ASN 21 HA ASN 21 -5.310 6.108 -10.359 51 1HB ASN 21 1HB ASN 21 -2.338 5.954 -9.855 52 2HB ASN 21 2HB ASN 21 -3.296 4.934 -10.924 53 1HD2 ASN 21 1HD2 ASN 21 -1.055 6.230 -11.819 54 2HD2 ASN 21 2HD2 ASN 21 -1.510 7.466 -12.938 55 H GLU 22 H GLU 22 -6.511 5.153 -8.824 56 HA GLU 22 HA GLU 22 -5.831 4.702 -6.170 57 1HB GLU 22 1HB GLU 22 -7.826 3.508 -8.042 58 2HB GLU 22 2HB GLU 22 -7.567 2.733 -6.484 59 1HG GLU 22 1HG GLU 22 -7.864 5.229 -5.632 60 2HG GLU 22 2HG GLU 22 -8.792 5.348 -7.127 61 H ASN 23 H ASN 23 -4.785 3.144 -5.069 62 HA ASN 23 HA ASN 23 -3.165 1.566 -4.733 63 1HB ASN 23 1HB ASN 23 -4.931 -0.014 -6.583 64 2HB ASN 23 2HB ASN 23 -3.805 -0.666 -5.401 65 1HD2 ASN 23 1HD2 ASN 23 -4.304 -0.536 -3.204 66 2HD2 ASN 23 2HD2 ASN 23 -5.914 -0.241 -2.651 67 H ARG 24 H ARG 24 -2.534 3.316 -6.760 68 HA ARG 24 HA ARG 24 -0.712 1.678 -8.364 69 1HB ARG 24 1HB ARG 24 -2.418 3.935 -9.434 70 2HB ARG 24 2HB ARG 24 -1.145 3.121 -10.335 71 1HG ARG 24 1HG ARG 24 -3.152 1.320 -9.201 72 2HG ARG 24 2HG ARG 24 -3.784 2.463 -10.388 73 1HD ARG 24 1HD ARG 24 -2.695 1.485 -12.101 74 2HD ARG 24 2HD ARG 24 -1.254 1.171 -11.137 75 HE ARG 24 HE ARG 24 -2.070 -0.914 -10.637 76 1HH1 ARG 24 1HH1 ARG 24 -4.615 1.001 -12.067 77 2HH1 ARG 24 2HH1 ARG 24 -5.695 -0.340 -12.244 78 1HH2 ARG 24 1HH2 ARG 24 -3.491 -2.678 -10.868 79 2HH2 ARG 24 2HH2 ARG 24 -5.058 -2.428 -11.564 80 H TYR 25 H TYR 25 -1.639 4.964 -7.451 81 HA TYR 25 HA TYR 25 0.557 6.447 -7.972 82 1HB TYR 25 1HB TYR 25 -0.054 7.853 -6.066 83 2HB TYR 25 2HB TYR 25 -1.503 7.302 -6.904 84 HD1 TYR 25 HD1 TYR 25 -2.387 4.930 -5.927 85 HD2 TYR 25 HD2 TYR 25 -0.145 7.815 -3.757 86 HE1 TYR 25 HE1 TYR 25 -3.237 3.988 -3.834 87 HE2 TYR 25 HE2 TYR 25 -1.003 6.892 -1.645 88 HH TYR 25 HH TYR 25 -3.590 4.666 -1.525 89 H LEU 26 H LEU 26 0.129 4.386 -5.113 90 HA LEU 26 HA LEU 26 3.019 4.615 -4.601 91 1HB LEU 26 1HB LEU 26 2.654 4.908 -2.395 92 2HB LEU 26 2HB LEU 26 1.088 5.474 -2.941 93 HG LEU 26 HG LEU 26 0.358 2.991 -2.614 94 1HD1 LEU 26 1HD1 LEU 26 2.266 2.849 -0.395 95 2HD1 LEU 26 2HD1 LEU 26 2.985 2.648 -1.994 96 3HD1 LEU 26 3HD1 LEU 26 1.677 1.583 -1.475 97 1HD2 LEU 26 1HD2 LEU 26 -0.758 3.853 -0.896 98 2HD2 LEU 26 2HD2 LEU 26 0.242 5.297 -1.048 99 3HD2 LEU 26 3HD2 LEU 26 0.714 4.010 0.061 100 H THR 27 H THR 27 0.273 2.498 -4.896 101 HA THR 27 HA THR 27 1.059 0.157 -3.804 102 HB THR 27 HB THR 27 -0.342 0.678 -6.412 103 HG1 THR 27 HG1 THR 27 -1.160 -0.050 -3.805 104 1HG2 THR 27 1HG2 THR 27 0.584 -1.883 -5.396 105 2HG2 THR 27 2HG2 THR 27 -0.061 -1.451 -6.980 106 3HG2 THR 27 3HG2 THR 27 -1.160 -1.817 -5.649 107 H GLU 28 H GLU 28 1.436 0.325 -7.315 108 HA GLU 28 HA GLU 28 3.503 -1.558 -7.406 109 1HB GLU 28 1HB GLU 28 2.874 0.544 -9.479 110 2HB GLU 28 2HB GLU 28 3.717 -0.976 -9.747 111 1HG GLU 28 1HG GLU 28 1.502 -2.009 -8.800 112 2HG GLU 28 2HG GLU 28 0.822 -0.462 -9.301 113 H ARG 29 H ARG 29 3.610 1.951 -7.210 114 HA ARG 29 HA ARG 29 6.304 2.313 -7.905 115 1HB ARG 29 1HB ARG 29 4.360 4.033 -7.478 116 2HB ARG 29 2HB ARG 29 5.006 4.048 -5.843 117 1HG ARG 29 1HG ARG 29 6.153 5.787 -6.783 118 2HG ARG 29 2HG ARG 29 7.282 4.459 -7.063 119 1HD ARG 29 1HD ARG 29 6.678 4.280 -9.326 120 2HD ARG 29 2HD ARG 29 5.215 5.238 -9.097 121 HE ARG 29 HE ARG 29 7.632 6.683 -8.532 122 1HH1 ARG 29 1HH1 ARG 29 5.403 5.713 -11.036 123 2HH1 ARG 29 2HH1 ARG 29 5.822 7.022 -12.089 124 1HH2 ARG 29 1HH2 ARG 29 8.184 8.404 -9.914 125 2HH2 ARG 29 2HH2 ARG 29 7.401 8.550 -11.452 126 H ARG 30 H ARG 30 4.779 1.899 -4.732 127 HA ARG 30 HA ARG 30 7.318 1.856 -3.370 128 1HB ARG 30 1HB ARG 30 4.490 1.358 -2.448 129 2HB ARG 30 2HB ARG 30 5.879 1.233 -1.379 130 1HG ARG 30 1HG ARG 30 6.358 3.660 -2.332 131 2HG ARG 30 2HG ARG 30 4.610 3.628 -2.573 132 1HD ARG 30 1HD ARG 30 4.190 3.331 -0.284 133 2HD ARG 30 2HD ARG 30 5.857 2.861 0.047 134 HE ARG 30 HE ARG 30 6.111 5.395 -0.846 135 1HH1 ARG 30 1HH1 ARG 30 4.105 3.939 1.610 136 2HH1 ARG 30 2HH1 ARG 30 4.053 5.367 2.590 137 1HH2 ARG 30 1HH2 ARG 30 6.044 7.272 0.442 138 2HH2 ARG 30 2HH2 ARG 30 5.153 7.258 1.927 139 H ARG 31 H ARG 31 5.213 -0.476 -4.810 140 HA ARG 31 HA ARG 31 5.914 -2.757 -3.339 141 1HB ARG 31 1HB ARG 31 4.384 -2.166 -5.653 142 2HB ARG 31 2HB ARG 31 5.504 -3.448 -6.090 143 1HG ARG 31 1HG ARG 31 4.594 -4.942 -4.596 144 2HG ARG 31 2HG ARG 31 3.927 -3.671 -3.569 145 1HD ARG 31 1HD ARG 31 1.973 -3.925 -4.594 146 2HD ARG 31 2HD ARG 31 2.718 -3.372 -6.092 147 HE ARG 31 HE ARG 31 3.379 -5.989 -6.016 148 1HH1 ARG 31 1HH1 ARG 31 0.345 -4.297 -5.691 149 2HH1 ARG 31 2HH1 ARG 31 -0.593 -5.594 -6.352 150 1HH2 ARG 31 1HH2 ARG 31 2.148 -7.696 -6.886 151 2HH2 ARG 31 2HH2 ARG 31 0.430 -7.524 -7.032 152 H GLN 32 H GLN 32 7.377 -1.314 -6.221 153 HA GLN 32 HA GLN 32 9.286 -3.337 -6.669 154 1HB GLN 32 1HB GLN 32 8.986 -0.489 -7.512 155 2HB GLN 32 2HB GLN 32 10.532 -1.285 -7.776 156 1HG GLN 32 1HG GLN 32 9.213 -3.120 -8.936 157 2HG GLN 32 2HG GLN 32 7.851 -2.002 -8.910 158 1HE2 GLN 32 1HE2 GLN 32 11.326 -1.803 -9.627 159 2HE2 GLN 32 2HE2 GLN 32 11.140 -0.964 -11.127 160 H GLN 33 H GLN 33 9.482 -0.283 -4.873 161 HA GLN 33 HA GLN 33 12.209 -0.694 -4.113 162 1HB GLN 33 1HB GLN 33 10.231 1.193 -2.837 163 2HB GLN 33 2HB GLN 33 11.985 1.312 -2.822 164 1HG GLN 33 1HG GLN 33 10.399 1.424 -5.365 165 2HG GLN 33 2HG GLN 33 10.725 2.856 -4.390 166 1HE2 GLN 33 1HE2 GLN 33 11.588 2.029 -7.119 167 2HE2 GLN 33 2HE2 GLN 33 13.310 2.166 -7.102 168 H LEU 34 H LEU 34 9.081 -1.214 -2.549 169 HA LEU 34 HA LEU 34 10.090 -1.786 0.019 170 1HB LEU 34 1HB LEU 34 7.537 -2.434 -1.402 171 2HB LEU 34 2HB LEU 34 7.868 -3.140 0.166 172 HG LEU 34 HG LEU 34 7.492 -0.230 -0.510 173 1HD1 LEU 34 1HD1 LEU 34 5.535 -0.379 0.596 174 2HD1 LEU 34 2HD1 LEU 34 6.162 -1.535 1.771 175 3HD1 LEU 34 3HD1 LEU 34 5.671 -2.084 0.168 176 1HD2 LEU 34 1HD2 LEU 34 7.937 0.132 1.958 177 2HD2 LEU 34 2HD2 LEU 34 9.348 -0.176 0.946 178 3HD2 LEU 34 3HD2 LEU 34 8.691 -1.463 1.957 179 H SER 35 H SER 35 9.550 -3.805 -2.811 180 HA SER 35 HA SER 35 9.949 -6.295 -1.574 181 1HB SER 35 1HB SER 35 9.259 -5.520 -4.082 182 2HB SER 35 2HB SER 35 10.930 -6.013 -4.350 183 HG SER 35 HG SER 35 8.721 -7.534 -3.836 184 H SER 36 H SER 36 12.227 -4.245 -3.394 185 HA SER 36 HA SER 36 14.495 -5.853 -2.833 186 1HB SER 36 1HB SER 36 13.912 -3.492 -4.347 187 2HB SER 36 2HB SER 36 15.340 -3.194 -3.356 188 HG SER 36 HG SER 36 16.072 -5.312 -4.211 189 H GLU 37 H GLU 37 13.112 -3.000 -1.284 190 HA GLU 37 HA GLU 37 15.264 -2.485 0.469 191 1HB GLU 37 1HB GLU 37 12.366 -1.722 0.428 192 2HB GLU 37 2HB GLU 37 13.352 -1.350 1.836 193 1HG GLU 37 1HG GLU 37 14.888 -0.471 -0.278 194 2HG GLU 37 2HG GLU 37 13.242 -0.057 -0.755 195 H LEU 38 H LEU 38 12.222 -4.264 0.950 196 HA LEU 38 HA LEU 38 13.050 -5.096 3.597 197 1HB LEU 38 1HB LEU 38 10.610 -5.694 1.934 198 2HB LEU 38 2HB LEU 38 10.885 -6.399 3.516 199 HG LEU 38 HG LEU 38 11.037 -3.446 3.360 200 1HD1 LEU 38 1HD1 LEU 38 9.064 -4.249 1.913 201 2HD1 LEU 38 2HD1 LEU 38 8.757 -3.047 3.167 202 3HD1 LEU 38 3HD1 LEU 38 8.337 -4.738 3.444 203 1HD2 LEU 38 1HD2 LEU 38 10.183 -5.554 5.285 204 2HD2 LEU 38 2HD2 LEU 38 9.543 -3.921 5.461 205 3HD2 LEU 38 3HD2 LEU 38 11.284 -4.195 5.514 206 H GLY 39 H GLY 39 13.264 -6.297 0.383 207 1HA GLY 39 1HA GLY 39 14.351 -8.161 -0.420 208 2HA GLY 39 2HA GLY 39 14.817 -8.536 1.231 209 H LEU 40 H LEU 40 11.458 -8.097 0.542 210 HA LEU 40 HA LEU 40 11.060 -10.985 0.899 211 1HB LEU 40 1HB LEU 40 8.589 -10.031 1.245 212 2HB LEU 40 2HB LEU 40 9.754 -10.151 2.550 213 HG LEU 40 HG LEU 40 10.324 -7.781 2.257 214 1HD1 LEU 40 1HD1 LEU 40 8.243 -6.732 0.778 215 2HD1 LEU 40 2HD1 LEU 40 8.768 -8.127 -0.167 216 3HD1 LEU 40 3HD1 LEU 40 9.926 -6.869 0.269 217 1HD2 LEU 40 1HD2 LEU 40 7.593 -8.715 2.907 218 2HD2 LEU 40 2HD2 LEU 40 7.829 -6.975 2.739 219 3HD2 LEU 40 3HD2 LEU 40 8.780 -7.885 3.914 220 H ASN 41 H ASN 41 9.276 -11.989 -0.277 221 HA ASN 41 HA ASN 41 9.327 -11.185 -3.053 222 1HB ASN 41 1HB ASN 41 9.280 -13.618 -1.860 223 2HB ASN 41 2HB ASN 41 7.569 -13.415 -2.223 224 1HD2 ASN 41 1HD2 ASN 41 7.063 -12.774 -4.473 225 2HD2 ASN 41 2HD2 ASN 41 8.010 -13.468 -5.740 226 H GLU 42 H GLU 42 7.433 -10.854 -4.335 227 HA GLU 42 HA GLU 42 5.626 -9.002 -3.358 228 1HB GLU 42 1HB GLU 42 5.152 -10.951 -5.624 229 2HB GLU 42 2HB GLU 42 4.333 -9.412 -5.390 230 1HG GLU 42 1HG GLU 42 7.226 -9.144 -5.471 231 2HG GLU 42 2HG GLU 42 6.560 -9.853 -6.941 232 H ALA 43 H ALA 43 5.517 -12.485 -3.274 233 HA ALA 43 HA ALA 43 2.789 -12.888 -2.763 234 1HB ALA 43 1HB ALA 43 4.886 -14.546 -3.058 235 2HB ALA 43 2HB ALA 43 3.345 -15.050 -2.363 236 3HB ALA 43 3HB ALA 43 4.690 -14.620 -1.306 237 H GLN 44 H GLN 44 5.456 -11.950 -0.710 238 HA GLN 44 HA GLN 44 3.930 -12.040 1.740 239 1HB GLN 44 1HB GLN 44 6.652 -10.982 0.995 240 2HB GLN 44 2HB GLN 44 5.974 -10.763 2.603 241 1HG GLN 44 1HG GLN 44 6.340 -13.453 1.313 242 2HG GLN 44 2HG GLN 44 7.548 -12.693 2.349 243 1HE2 GLN 44 1HE2 GLN 44 6.183 -11.649 4.365 244 2HE2 GLN 44 2HE2 GLN 44 5.305 -12.857 5.232 245 H ILE 45 H ILE 45 4.712 -9.822 -0.777 246 HA ILE 45 HA ILE 45 4.141 -7.381 0.508 247 HB ILE 45 HB ILE 45 4.093 -8.176 -2.404 248 1HG1 ILE 45 1HG1 ILE 45 6.275 -8.200 -1.171 249 2HG1 ILE 45 2HG1 ILE 45 6.227 -7.076 -2.527 250 1HG2 ILE 45 1HG2 ILE 45 2.588 -6.212 -1.880 251 2HG2 ILE 45 2HG2 ILE 45 3.869 -5.921 -3.053 252 3HG2 ILE 45 3HG2 ILE 45 4.047 -5.350 -1.397 253 1HD1 ILE 45 1HD1 ILE 45 7.307 -5.941 -0.795 254 2HD1 ILE 45 2HD1 ILE 45 6.120 -6.460 0.402 255 3HD1 ILE 45 3HD1 ILE 45 5.671 -5.281 -0.830 256 H LYS 46 H LYS 46 2.109 -9.673 -1.287 257 HA LYS 46 HA LYS 46 -0.208 -8.112 -1.462 258 1HB LYS 46 1HB LYS 46 0.513 -10.711 -2.141 259 2HB LYS 46 2HB LYS 46 -0.762 -10.931 -0.951 260 1HG LYS 46 1HG LYS 46 -2.107 -9.266 -2.344 261 2HG LYS 46 2HG LYS 46 -0.894 -9.531 -3.598 262 1HD LYS 46 1HD LYS 46 -1.566 -11.679 -3.987 263 2HD LYS 46 2HD LYS 46 -2.114 -11.922 -2.327 264 1HE LYS 46 1HE LYS 46 -4.204 -11.461 -2.919 265 2HE LYS 46 2HE LYS 46 -3.707 -9.889 -3.542 266 1HZ LYS 46 1HZ LYS 46 -3.576 -12.435 -5.065 267 2HZ LYS 46 2HZ LYS 46 -3.200 -10.896 -5.655 268 3HZ LYS 46 3HZ LYS 46 -4.793 -11.270 -5.227 269 H ILE 47 H ILE 47 0.819 -10.425 1.008 270 HA ILE 47 HA ILE 47 -1.381 -9.987 2.764 271 HB ILE 47 HB ILE 47 1.211 -11.410 2.868 272 1HG1 ILE 47 1HG1 ILE 47 -0.510 -12.967 4.198 273 2HG1 ILE 47 2HG1 ILE 47 -1.673 -11.958 3.343 274 1HG2 ILE 47 1HG2 ILE 47 1.536 -10.175 4.871 275 2HG2 ILE 47 2HG2 ILE 47 0.986 -11.784 5.343 276 3HG2 ILE 47 3HG2 ILE 47 -0.138 -10.425 5.372 277 1HD1 ILE 47 1HD1 ILE 47 -1.459 -13.479 1.725 278 2HD1 ILE 47 2HD1 ILE 47 0.083 -14.069 2.345 279 3HD1 ILE 47 3HD1 ILE 47 0.032 -12.619 1.341 280 H TRP 48 H TRP 48 1.887 -8.766 2.520 281 HA TRP 48 HA TRP 48 2.055 -7.257 4.852 282 1HB TRP 48 1HB TRP 48 3.953 -7.809 3.402 283 2HB TRP 48 2HB TRP 48 3.281 -6.820 2.118 284 HD1 TRP 48 HD1 TRP 48 5.698 -6.705 4.888 285 HE1 TRP 48 HE1 TRP 48 6.545 -4.303 5.217 286 HE3 TRP 48 HE3 TRP 48 2.246 -4.184 2.104 287 HZ2 TRP 48 HZ2 TRP 48 5.859 -1.703 4.439 288 HZ3 TRP 48 HZ3 TRP 48 2.407 -1.743 1.952 289 HH2 TRP 48 HH2 TRP 48 4.186 -0.533 3.083 290 H PHE 49 H PHE 49 1.067 -6.281 1.592 291 HA PHE 49 HA PHE 49 0.383 -3.636 2.381 292 1HB PHE 49 1HB PHE 49 0.094 -5.234 -0.110 293 2HB PHE 49 2HB PHE 49 -0.925 -3.802 0.076 294 HD1 PHE 49 HD1 PHE 49 2.504 -5.030 -0.177 295 HD2 PHE 49 HD2 PHE 49 0.016 -1.605 0.139 296 HE1 PHE 49 HE1 PHE 49 4.438 -3.598 -0.683 297 HE2 PHE 49 HE2 PHE 49 1.947 -0.152 -0.381 298 HZ PHE 49 HZ PHE 49 4.169 -1.164 -0.764 299 H GLN 50 H GLN 50 -1.487 -6.575 1.881 300 HA GLN 50 HA GLN 50 -3.997 -5.368 2.304 301 1HB GLN 50 1HB GLN 50 -3.011 -8.206 2.478 302 2HB GLN 50 2HB GLN 50 -4.666 -7.795 2.906 303 1HG GLN 50 1HG GLN 50 -4.196 -6.581 0.430 304 2HG GLN 50 2HG GLN 50 -3.494 -8.194 0.320 305 1HE2 GLN 50 1HE2 GLN 50 -4.951 -9.951 1.232 306 2HE2 GLN 50 2HE2 GLN 50 -6.620 -9.862 0.794 307 H ASN 51 H ASN 51 -1.530 -6.609 4.451 308 HA ASN 51 HA ASN 51 -3.137 -6.753 6.790 309 1HB ASN 51 1HB ASN 51 -0.252 -6.892 6.149 310 2HB ASN 51 2HB ASN 51 -0.645 -6.366 7.783 311 1HD2 ASN 51 1HD2 ASN 51 -2.318 -8.663 5.684 312 2HD2 ASN 51 2HD2 ASN 51 -2.146 -10.021 6.736 313 H LYS 52 H LYS 52 -1.156 -4.226 5.336 314 HA LYS 52 HA LYS 52 -1.255 -2.395 7.472 315 1HB LYS 52 1HB LYS 52 -0.219 -2.459 4.834 316 2HB LYS 52 2HB LYS 52 -1.214 -1.015 4.956 317 1HG LYS 52 1HG LYS 52 0.340 0.034 6.134 318 2HG LYS 52 2HG LYS 52 0.435 -1.291 7.294 319 1HD LYS 52 1HD LYS 52 1.766 -2.405 5.253 320 2HD LYS 52 2HD LYS 52 2.118 -0.705 4.930 321 1HE LYS 52 1HE LYS 52 2.484 -1.900 7.660 322 2HE LYS 52 2HE LYS 52 3.741 -2.012 6.429 323 1HZ LYS 52 1HZ LYS 52 4.253 -0.109 7.652 324 2HZ LYS 52 2HZ LYS 52 2.646 0.416 7.711 325 3HZ LYS 52 3HZ LYS 52 3.508 0.494 6.257 326 H ARG 53 H ARG 53 -3.406 -2.966 4.736 327 HA ARG 53 HA ARG 53 -5.382 -1.201 6.021 328 1HB ARG 53 1HB ARG 53 -5.194 -1.574 3.038 329 2HB ARG 53 2HB ARG 53 -6.109 -0.365 3.926 330 1HG ARG 53 1HG ARG 53 -4.424 1.039 3.636 331 2HG ARG 53 2HG ARG 53 -3.444 0.012 4.683 332 1HD ARG 53 1HD ARG 53 -2.107 -0.136 2.881 333 2HD ARG 53 2HD ARG 53 -3.276 -1.346 2.351 334 HE ARG 53 HE ARG 53 -3.944 1.337 1.561 335 1HH1 ARG 53 1HH1 ARG 53 -2.151 -1.536 0.715 336 2HH1 ARG 53 2HH1 ARG 53 -2.126 -1.173 -0.978 337 1HH2 ARG 53 1HH2 ARG 53 -3.911 1.816 -0.667 338 2HH2 ARG 53 2HH2 ARG 53 -3.124 0.729 -1.763 339 H ALA 54 H ALA 54 -6.683 -2.686 6.948 340 HA ALA 54 HA ALA 54 -8.416 -4.217 5.278 341 1HB ALA 54 1HB ALA 54 -6.695 -5.823 5.158 342 2HB ALA 54 2HB ALA 54 -7.826 -6.429 6.368 343 3HB ALA 54 3HB ALA 54 -6.320 -5.663 6.875 344 H LYS 55 H LYS 55 -7.115 -3.953 8.578 345 HA LYS 55 HA LYS 55 -9.813 -4.325 9.653 346 1HB LYS 55 1HB LYS 55 -7.062 -4.655 10.717 347 2HB LYS 55 2HB LYS 55 -8.290 -4.124 11.859 348 1HG LYS 55 1HG LYS 55 -9.640 -6.135 10.840 349 2HG LYS 55 2HG LYS 55 -8.026 -6.711 10.420 350 1HD LYS 55 1HD LYS 55 -8.946 -5.925 13.185 351 2HD LYS 55 2HD LYS 55 -8.778 -7.578 12.594 352 1HE LYS 55 1HE LYS 55 -6.350 -6.143 12.108 353 2HE LYS 55 2HE LYS 55 -6.816 -5.948 13.797 354 1HZ LYS 55 1HZ LYS 55 -7.220 -8.551 13.485 355 2HZ LYS 55 2HZ LYS 55 -5.742 -7.903 13.991 356 3HZ LYS 55 3HZ LYS 55 -5.967 -8.333 12.370 357 H ILE 56 H ILE 56 -8.948 -1.869 8.274 358 HA ILE 56 HA ILE 56 -9.666 0.008 10.400 359 HB ILE 56 HB ILE 56 -7.455 0.629 8.445 360 1HG1 ILE 56 1HG1 ILE 56 -7.165 -0.043 11.379 361 2HG1 ILE 56 2HG1 ILE 56 -6.847 -1.186 10.078 362 1HG2 ILE 56 1HG2 ILE 56 -8.923 2.126 10.500 363 2HG2 ILE 56 2HG2 ILE 56 -8.066 2.698 9.068 364 3HG2 ILE 56 3HG2 ILE 56 -7.171 2.324 10.540 365 1HD1 ILE 56 1HD1 ILE 56 -4.759 -0.454 10.090 366 2HD1 ILE 56 2HD1 ILE 56 -5.169 0.885 11.162 367 3HD1 ILE 56 3HD1 ILE 56 -5.360 1.063 9.418 368 H LYS 57 H LYS 57 -11.726 -0.179 9.280 369 HA LYS 57 HA LYS 57 -12.217 1.966 7.545 370 1HB LYS 57 1HB LYS 57 -12.969 0.544 5.550 371 2HB LYS 57 2HB LYS 57 -11.242 0.813 5.744 372 1HG LYS 57 1HG LYS 57 -10.813 -1.360 6.094 373 2HG LYS 57 2HG LYS 57 -12.267 -1.598 7.064 374 1HD LYS 57 1HD LYS 57 -13.442 -1.270 4.712 375 2HD LYS 57 2HD LYS 57 -11.876 -1.833 4.125 376 1HE LYS 57 1HE LYS 57 -12.795 -3.871 4.399 377 2HE LYS 57 2HE LYS 57 -12.335 -3.630 6.084 378 1HZ LYS 57 1HZ LYS 57 -14.496 -4.088 6.425 379 2HZ LYS 57 2HZ LYS 57 -14.969 -3.637 4.865 380 3HZ LYS 57 3HZ LYS 57 -14.720 -2.453 6.046 381 H LYS 58 H LYS 58 -13.794 2.202 9.195 382 HA LYS 58 HA LYS 58 -16.251 0.755 8.612 383 1HB LYS 58 1HB LYS 58 -14.960 0.823 11.339 384 2HB LYS 58 2HB LYS 58 -16.660 0.448 11.093 385 1HG LYS 58 1HG LYS 58 -15.484 -1.272 9.354 386 2HG LYS 58 2HG LYS 58 -14.280 -1.197 10.641 387 1HD LYS 58 1HD LYS 58 -16.081 -1.693 12.280 388 2HD LYS 58 2HD LYS 58 -17.200 -1.897 10.931 389 1HE LYS 58 1HE LYS 58 -16.562 -4.015 10.751 390 2HE LYS 58 2HE LYS 58 -14.930 -3.475 10.365 391 1HZ LYS 58 1HZ LYS 58 -15.485 -5.000 12.450 392 2HZ LYS 58 2HZ LYS 58 -15.665 -3.486 13.182 393 3HZ LYS 58 3HZ LYS 58 -14.200 -3.899 12.443 394 H SER 59 H SER 59 -15.861 3.262 7.826 395 HA SER 59 HA SER 59 -17.858 4.711 9.274 396 1HB SER 59 1HB SER 59 -16.147 6.746 9.417 397 2HB SER 59 2HB SER 59 -16.303 5.578 10.729 398 HG SER 59 HG SER 59 -14.435 5.259 8.630 Start of MODEL 7 1 1H ALA 16 1H ALA 16 -15.893 16.116 -14.315 2 2H ALA 16 2H ALA 16 -17.463 15.640 -14.820 3 3H ALA 16 3H ALA 16 -16.323 14.456 -14.326 4 HA ALA 16 HA ALA 16 -17.192 16.594 -12.531 5 1HB ALA 16 1HB ALA 16 -19.277 15.763 -12.809 6 2HB ALA 16 2HB ALA 16 -18.682 14.534 -11.692 7 3HB ALA 16 3HB ALA 16 -18.699 14.215 -13.426 8 H LYS 17 H LYS 17 -16.408 13.124 -12.830 9 HA LYS 17 HA LYS 17 -15.290 13.036 -10.186 10 1HB LYS 17 1HB LYS 17 -15.735 11.104 -12.398 11 2HB LYS 17 2HB LYS 17 -14.455 10.722 -11.255 12 1HG LYS 17 1HG LYS 17 -16.612 11.474 -9.670 13 2HG LYS 17 2HG LYS 17 -17.315 10.501 -10.963 14 1HD LYS 17 1HD LYS 17 -16.766 8.930 -9.328 15 2HD LYS 17 2HD LYS 17 -15.413 8.840 -10.459 16 1HE LYS 17 1HE LYS 17 -14.658 10.816 -8.675 17 2HE LYS 17 2HE LYS 17 -15.456 9.615 -7.658 18 1HZ LYS 17 1HZ LYS 17 -13.430 8.676 -7.689 19 2HZ LYS 17 2HZ LYS 17 -12.961 9.434 -9.126 20 3HZ LYS 17 3HZ LYS 17 -13.932 8.051 -9.180 21 H ARG 18 H ARG 18 -13.170 13.017 -9.580 22 HA ARG 18 HA ARG 18 -11.280 14.131 -11.453 23 1HB ARG 18 1HB ARG 18 -11.296 13.573 -8.517 24 2HB ARG 18 2HB ARG 18 -9.755 13.820 -9.325 25 1HG ARG 18 1HG ARG 18 -12.003 15.784 -9.601 26 2HG ARG 18 2HG ARG 18 -10.878 15.840 -8.243 27 1HD ARG 18 1HD ARG 18 -9.409 16.926 -9.503 28 2HD ARG 18 2HD ARG 18 -9.359 15.567 -10.625 29 HE ARG 18 HE ARG 18 -11.608 17.312 -11.022 30 1HH1 ARG 18 1HH1 ARG 18 -8.250 16.755 -11.793 31 2HH1 ARG 18 2HH1 ARG 18 -8.308 17.665 -13.264 32 1HH2 ARG 18 1HH2 ARG 18 -11.685 18.508 -12.958 33 2HH2 ARG 18 2HH2 ARG 18 -10.258 18.661 -13.926 34 H GLU 19 H GLU 19 -11.850 11.053 -9.875 35 HA GLU 19 HA GLU 19 -10.954 8.984 -10.169 36 1HB GLU 19 1HB GLU 19 -10.153 10.246 -12.790 37 2HB GLU 19 2HB GLU 19 -9.881 8.548 -12.420 38 1HG GLU 19 1HG GLU 19 -12.625 9.626 -12.087 39 2HG GLU 19 2HG GLU 19 -12.020 9.375 -13.724 40 H PHE 20 H PHE 20 -8.922 7.760 -10.253 41 HA PHE 20 HA PHE 20 -6.437 9.215 -10.182 42 1HB PHE 20 1HB PHE 20 -5.864 8.539 -7.862 43 2HB PHE 20 2HB PHE 20 -7.205 9.678 -7.927 44 HD1 PHE 20 HD1 PHE 20 -6.536 6.016 -7.800 45 HD2 PHE 20 HD2 PHE 20 -9.121 9.223 -6.730 46 HE1 PHE 20 HE1 PHE 20 -7.910 4.462 -6.478 47 HE2 PHE 20 HE2 PHE 20 -10.499 7.675 -5.405 48 HZ PHE 20 HZ PHE 20 -9.895 5.290 -5.278 49 H ASN 21 H ASN 21 -4.689 7.557 -9.206 50 HA ASN 21 HA ASN 21 -4.881 5.235 -10.921 51 1HB ASN 21 1HB ASN 21 -2.738 6.667 -9.476 52 2HB ASN 21 2HB ASN 21 -2.515 4.929 -9.632 53 1HD2 ASN 21 1HD2 ASN 21 -3.776 7.511 -11.717 54 2HD2 ASN 21 2HD2 ASN 21 -2.797 7.115 -13.084 55 H GLU 22 H GLU 22 -5.741 3.387 -10.263 56 HA GLU 22 HA GLU 22 -6.080 2.865 -7.429 57 1HB GLU 22 1HB GLU 22 -7.519 2.223 -9.770 58 2HB GLU 22 2HB GLU 22 -6.967 0.696 -9.094 59 1HG GLU 22 1HG GLU 22 -7.878 1.762 -6.860 60 2HG GLU 22 2HG GLU 22 -8.862 2.692 -7.988 61 H ASN 23 H ASN 23 -4.303 2.130 -6.450 62 HA ASN 23 HA ASN 23 -2.591 0.764 -5.857 63 1HB ASN 23 1HB ASN 23 -3.609 -1.254 -7.814 64 2HB ASN 23 2HB ASN 23 -2.770 -1.527 -6.293 65 1HD2 ASN 23 1HD2 ASN 23 -3.924 -1.000 -4.321 66 2HD2 ASN 23 2HD2 ASN 23 -5.643 -1.164 -4.277 67 H ARG 24 H ARG 24 -2.121 2.580 -7.853 68 HA ARG 24 HA ARG 24 0.068 1.280 -9.309 69 1HB ARG 24 1HB ARG 24 -1.693 3.429 -10.499 70 2HB ARG 24 2HB ARG 24 -0.395 2.558 -11.305 71 1HG ARG 24 1HG ARG 24 -1.648 0.652 -11.561 72 2HG ARG 24 2HG ARG 24 -2.694 1.029 -10.191 73 1HD ARG 24 1HD ARG 24 -3.476 3.023 -11.635 74 2HD ARG 24 2HD ARG 24 -2.759 2.130 -12.976 75 HE ARG 24 HE ARG 24 -4.396 0.344 -11.658 76 1HH1 ARG 24 1HH1 ARG 24 -4.780 3.397 -13.306 77 2HH1 ARG 24 2HH1 ARG 24 -6.403 3.062 -13.810 78 1HH2 ARG 24 1HH2 ARG 24 -6.529 -0.097 -12.320 79 2HH2 ARG 24 2HH2 ARG 24 -7.396 1.078 -13.251 80 H TYR 25 H TYR 25 -1.376 4.314 -8.262 81 HA TYR 25 HA TYR 25 0.692 6.077 -8.593 82 1HB TYR 25 1HB TYR 25 -0.337 7.413 -6.838 83 2HB TYR 25 2HB TYR 25 -1.586 6.681 -7.842 84 HD1 TYR 25 HD1 TYR 25 -2.320 4.232 -6.911 85 HD2 TYR 25 HD2 TYR 25 -0.736 7.411 -4.568 86 HE1 TYR 25 HE1 TYR 25 -3.347 3.254 -4.909 87 HE2 TYR 25 HE2 TYR 25 -1.771 6.445 -2.557 88 HH TYR 25 HH TYR 25 -4.120 4.029 -2.676 89 H LEU 26 H LEU 26 0.116 3.970 -5.782 90 HA LEU 26 HA LEU 26 2.907 4.457 -4.980 91 1HB LEU 26 1HB LEU 26 2.345 4.842 -2.819 92 2HB LEU 26 2HB LEU 26 0.869 5.409 -3.573 93 HG LEU 26 HG LEU 26 0.011 2.986 -3.160 94 1HD1 LEU 26 1HD1 LEU 26 1.646 2.901 -0.741 95 2HD1 LEU 26 2HD1 LEU 26 2.556 2.617 -2.224 96 3HD1 LEU 26 3HD1 LEU 26 1.167 1.603 -1.835 97 1HD2 LEU 26 1HD2 LEU 26 0.175 4.215 -0.538 98 2HD2 LEU 26 2HD2 LEU 26 -1.222 3.960 -1.583 99 3HD2 LEU 26 3HD2 LEU 26 -0.211 5.386 -1.800 100 H THR 27 H THR 27 0.202 2.185 -4.940 101 HA THR 27 HA THR 27 1.282 0.022 -3.704 102 HB THR 27 HB THR 27 -0.669 0.375 -5.901 103 HG1 THR 27 HG1 THR 27 -1.948 -0.775 -4.385 104 1HG2 THR 27 1HG2 THR 27 -1.030 -2.216 -5.658 105 2HG2 THR 27 2HG2 THR 27 0.715 -2.199 -5.409 106 3HG2 THR 27 3HG2 THR 27 0.029 -1.545 -6.897 107 H GLU 28 H GLU 28 1.262 0.112 -7.261 108 HA GLU 28 HA GLU 28 3.275 -1.811 -7.559 109 1HB GLU 28 1HB GLU 28 2.266 0.299 -9.463 110 2HB GLU 28 2HB GLU 28 3.389 -0.972 -9.927 111 1HG GLU 28 1HG GLU 28 1.077 -2.057 -8.584 112 2HG GLU 28 2HG GLU 28 0.615 -1.078 -9.975 113 H ARG 29 H ARG 29 3.480 1.710 -7.401 114 HA ARG 29 HA ARG 29 6.157 1.923 -8.277 115 1HB ARG 29 1HB ARG 29 4.129 3.686 -7.524 116 2HB ARG 29 2HB ARG 29 5.420 3.979 -6.368 117 1HG ARG 29 1HG ARG 29 6.889 3.991 -8.570 118 2HG ARG 29 2HG ARG 29 5.345 4.447 -9.293 119 1HD ARG 29 1HD ARG 29 6.699 6.398 -8.629 120 2HD ARG 29 2HD ARG 29 5.150 6.326 -7.788 121 HE ARG 29 HE ARG 29 7.271 5.097 -6.312 122 1HH1 ARG 29 1HH1 ARG 29 5.754 8.146 -7.076 123 2HH1 ARG 29 2HH1 ARG 29 6.286 8.918 -5.619 124 1HH2 ARG 29 1HH2 ARG 29 7.972 6.111 -4.397 125 2HH2 ARG 29 2HH2 ARG 29 7.545 7.763 -4.099 126 H ARG 30 H ARG 30 4.768 1.828 -5.009 127 HA ARG 30 HA ARG 30 7.367 1.807 -3.770 128 1HB ARG 30 1HB ARG 30 4.733 2.361 -2.935 129 2HB ARG 30 2HB ARG 30 5.264 0.981 -1.985 130 1HG ARG 30 1HG ARG 30 7.232 2.227 -1.262 131 2HG ARG 30 2HG ARG 30 6.722 3.605 -2.238 132 1HD ARG 30 1HD ARG 30 4.502 2.977 -0.681 133 2HD ARG 30 2HD ARG 30 5.876 2.801 0.409 134 HE ARG 30 HE ARG 30 6.359 5.171 -0.782 135 1HH1 ARG 30 1HH1 ARG 30 3.550 3.862 0.825 136 2HH1 ARG 30 2HH1 ARG 30 2.990 5.407 1.372 137 1HH2 ARG 30 1HH2 ARG 30 5.623 7.202 -0.062 138 2HH2 ARG 30 2HH2 ARG 30 4.166 7.302 0.870 139 H ARG 31 H ARG 31 5.131 -0.556 -4.920 140 HA ARG 31 HA ARG 31 5.752 -2.746 -3.313 141 1HB ARG 31 1HB ARG 31 4.543 -2.309 -5.952 142 2HB ARG 31 2HB ARG 31 5.337 -3.869 -5.788 143 1HG ARG 31 1HG ARG 31 3.919 -3.741 -3.472 144 2HG ARG 31 2HG ARG 31 2.859 -2.878 -4.589 145 1HD ARG 31 1HD ARG 31 4.074 -5.486 -5.398 146 2HD ARG 31 2HD ARG 31 2.666 -5.469 -4.339 147 HE ARG 31 HE ARG 31 2.755 -4.766 -7.145 148 1HH1 ARG 31 1HH1 ARG 31 0.950 -4.595 -4.160 149 2HH1 ARG 31 2HH1 ARG 31 -0.567 -4.331 -4.949 150 1HH2 ARG 31 1HH2 ARG 31 0.760 -4.415 -8.181 151 2HH2 ARG 31 2HH2 ARG 31 -0.676 -4.228 -7.230 152 H GLN 32 H GLN 32 7.358 -1.488 -6.187 153 HA GLN 32 HA GLN 32 9.222 -3.619 -6.428 154 1HB GLN 32 1HB GLN 32 8.612 -1.177 -7.809 155 2HB GLN 32 2HB GLN 32 10.348 -1.280 -7.549 156 1HG GLN 32 1HG GLN 32 9.025 -3.721 -8.548 157 2HG GLN 32 2HG GLN 32 9.100 -2.351 -9.656 158 1HE2 GLN 32 1HE2 GLN 32 11.022 -1.781 -10.551 159 2HE2 GLN 32 2HE2 GLN 32 12.488 -2.669 -10.331 160 H GLN 33 H GLN 33 9.314 -0.465 -4.839 161 HA GLN 33 HA GLN 33 12.063 -0.687 -4.077 162 1HB GLN 33 1HB GLN 33 9.850 1.165 -3.195 163 2HB GLN 33 2HB GLN 33 11.501 1.284 -2.603 164 1HG GLN 33 1HG GLN 33 12.037 1.337 -5.192 165 2HG GLN 33 2HG GLN 33 10.384 1.946 -5.266 166 1HE2 GLN 33 1HE2 GLN 33 11.741 3.789 -6.145 167 2HE2 GLN 33 2HE2 GLN 33 12.249 4.981 -5.002 168 H LEU 34 H LEU 34 8.968 -1.297 -2.488 169 HA LEU 34 HA LEU 34 9.993 -1.718 0.101 170 1HB LEU 34 1HB LEU 34 7.468 -2.350 -1.319 171 2HB LEU 34 2HB LEU 34 7.800 -3.246 0.153 172 HG LEU 34 HG LEU 34 8.265 -0.432 0.576 173 1HD1 LEU 34 1HD1 LEU 34 5.930 -1.123 -1.022 174 2HD1 LEU 34 2HD1 LEU 34 6.658 0.448 -0.692 175 3HD1 LEU 34 3HD1 LEU 34 5.533 -0.262 0.465 176 1HD2 LEU 34 1HD2 LEU 34 7.937 -1.897 2.411 177 2HD2 LEU 34 2HD2 LEU 34 6.421 -2.503 1.745 178 3HD2 LEU 34 3HD2 LEU 34 6.521 -0.847 2.345 179 H SER 35 H SER 35 9.483 -3.904 -2.622 180 HA SER 35 HA SER 35 10.000 -6.312 -1.285 181 1HB SER 35 1HB SER 35 10.399 -7.267 -3.490 182 2HB SER 35 2HB SER 35 9.031 -6.156 -3.569 183 HG SER 35 HG SER 35 10.100 -5.107 -5.025 184 H SER 36 H SER 36 12.188 -4.167 -3.091 185 HA SER 36 HA SER 36 14.518 -5.707 -2.610 186 1HB SER 36 1HB SER 36 14.261 -4.037 -4.454 187 2HB SER 36 2HB SER 36 14.365 -2.754 -3.249 188 HG SER 36 HG SER 36 16.446 -3.555 -2.707 189 H GLU 37 H GLU 37 13.151 -2.855 -1.003 190 HA GLU 37 HA GLU 37 15.281 -2.453 0.797 191 1HB GLU 37 1HB GLU 37 13.054 -1.052 0.157 192 2HB GLU 37 2HB GLU 37 12.572 -1.712 1.714 193 1HG GLU 37 1HG GLU 37 15.091 -0.142 1.220 194 2HG GLU 37 2HG GLU 37 13.593 0.527 1.865 195 H LEU 38 H LEU 38 12.215 -4.213 1.149 196 HA LEU 38 HA LEU 38 12.927 -5.080 3.817 197 1HB LEU 38 1HB LEU 38 10.556 -5.493 2.033 198 2HB LEU 38 2HB LEU 38 10.766 -6.474 3.472 199 HG LEU 38 HG LEU 38 10.970 -3.546 3.856 200 1HD1 LEU 38 1HD1 LEU 38 8.614 -3.162 3.800 201 2HD1 LEU 38 2HD1 LEU 38 8.293 -4.853 3.415 202 3HD1 LEU 38 3HD1 LEU 38 9.095 -3.817 2.236 203 1HD2 LEU 38 1HD2 LEU 38 10.219 -4.026 5.964 204 2HD2 LEU 38 2HD2 LEU 38 11.002 -5.553 5.558 205 3HD2 LEU 38 3HD2 LEU 38 9.250 -5.398 5.429 206 H GLY 39 H GLY 39 13.291 -6.239 0.601 207 1HA GLY 39 1HA GLY 39 14.399 -8.099 -0.183 208 2HA GLY 39 2HA GLY 39 14.815 -8.484 1.481 209 H LEU 40 H LEU 40 11.512 -8.050 0.430 210 HA LEU 40 HA LEU 40 11.075 -10.936 0.829 211 1HB LEU 40 1HB LEU 40 8.616 -10.025 1.177 212 2HB LEU 40 2HB LEU 40 9.778 -10.079 2.491 213 HG LEU 40 HG LEU 40 10.313 -7.652 1.933 214 1HD1 LEU 40 1HD1 LEU 40 7.648 -7.703 0.553 215 2HD1 LEU 40 2HD1 LEU 40 9.165 -7.843 -0.333 216 3HD1 LEU 40 3HD1 LEU 40 8.832 -6.397 0.619 217 1HD2 LEU 40 1HD2 LEU 40 9.157 -7.726 3.873 218 2HD2 LEU 40 2HD2 LEU 40 7.885 -8.748 3.204 219 3HD2 LEU 40 3HD2 LEU 40 7.884 -7.014 2.880 220 H ASN 41 H ASN 41 9.215 -11.843 -0.380 221 HA ASN 41 HA ASN 41 9.359 -10.977 -3.145 222 1HB ASN 41 1HB ASN 41 9.272 -13.449 -2.019 223 2HB ASN 41 2HB ASN 41 7.574 -13.223 -2.430 224 1HD2 ASN 41 1HD2 ASN 41 7.111 -12.585 -4.669 225 2HD2 ASN 41 2HD2 ASN 41 8.110 -13.222 -5.927 226 H GLU 42 H GLU 42 7.468 -10.646 -4.451 227 HA GLU 42 HA GLU 42 5.652 -8.807 -3.442 228 1HB GLU 42 1HB GLU 42 5.234 -10.676 -5.783 229 2HB GLU 42 2HB GLU 42 4.386 -9.160 -5.507 230 1HG GLU 42 1HG GLU 42 6.689 -8.061 -5.588 231 2HG GLU 42 2HG GLU 42 7.254 -9.588 -6.265 232 H ALA 43 H ALA 43 5.539 -12.292 -3.475 233 HA ALA 43 HA ALA 43 2.803 -12.708 -3.031 234 1HB ALA 43 1HB ALA 43 4.925 -14.353 -3.320 235 2HB ALA 43 2HB ALA 43 3.354 -14.881 -2.717 236 3HB ALA 43 3HB ALA 43 4.651 -14.498 -1.584 237 H GLN 44 H GLN 44 5.433 -11.885 -0.876 238 HA GLN 44 HA GLN 44 3.857 -12.052 1.533 239 1HB GLN 44 1HB GLN 44 6.584 -10.938 0.885 240 2HB GLN 44 2HB GLN 44 5.875 -10.813 2.489 241 1HG GLN 44 1HG GLN 44 6.268 -13.436 1.079 242 2HG GLN 44 2HG GLN 44 7.488 -12.712 2.127 243 1HE2 GLN 44 1HE2 GLN 44 6.122 -11.746 4.197 244 2HE2 GLN 44 2HE2 GLN 44 5.271 -12.999 5.029 245 H ILE 45 H ILE 45 4.681 -9.731 -0.878 246 HA ILE 45 HA ILE 45 4.084 -7.352 0.500 247 HB ILE 45 HB ILE 45 4.077 -8.008 -2.445 248 1HG1 ILE 45 1HG1 ILE 45 6.229 -8.090 -1.085 249 2HG1 ILE 45 2HG1 ILE 45 6.240 -7.040 -2.499 250 1HG2 ILE 45 1HG2 ILE 45 2.586 -6.103 -2.012 251 2HG2 ILE 45 2HG2 ILE 45 4.034 -5.632 -2.902 252 3HG2 ILE 45 3HG2 ILE 45 3.908 -5.285 -1.181 253 1HD1 ILE 45 1HD1 ILE 45 5.738 -5.127 -0.958 254 2HD1 ILE 45 2HD1 ILE 45 7.318 -5.881 -0.747 255 3HD1 ILE 45 3HD1 ILE 45 6.013 -6.236 0.386 256 H LYS 46 H LYS 46 2.079 -9.557 -1.430 257 HA LYS 46 HA LYS 46 -0.229 -7.987 -1.596 258 1HB LYS 46 1HB LYS 46 0.275 -10.246 -2.715 259 2HB LYS 46 2HB LYS 46 -0.283 -10.976 -1.217 260 1HG LYS 46 1HG LYS 46 -2.417 -9.625 -1.547 261 2HG LYS 46 2HG LYS 46 -1.841 -9.344 -3.191 262 1HD LYS 46 1HD LYS 46 -3.076 -11.232 -3.542 263 2HD LYS 46 2HD LYS 46 -1.525 -11.972 -3.140 264 1HE LYS 46 1HE LYS 46 -2.842 -13.160 -1.722 265 2HE LYS 46 2HE LYS 46 -2.519 -11.774 -0.681 266 1HZ LYS 46 1HZ LYS 46 -4.970 -12.438 -2.173 267 2HZ LYS 46 2HZ LYS 46 -4.642 -10.830 -1.764 268 3HZ LYS 46 3HZ LYS 46 -4.795 -11.996 -0.548 269 H ILE 47 H ILE 47 0.745 -10.370 0.826 270 HA ILE 47 HA ILE 47 -1.483 -9.974 2.560 271 HB ILE 47 HB ILE 47 1.108 -11.400 2.662 272 1HG1 ILE 47 1HG1 ILE 47 -0.551 -13.056 3.852 273 2HG1 ILE 47 2HG1 ILE 47 -1.781 -11.977 3.202 274 1HG2 ILE 47 1HG2 ILE 47 -0.274 -10.478 5.171 275 2HG2 ILE 47 2HG2 ILE 47 1.409 -10.229 4.701 276 3HG2 ILE 47 3HG2 ILE 47 0.838 -11.845 5.123 277 1HD1 ILE 47 1HD1 ILE 47 -0.700 -14.121 1.910 278 2HD1 ILE 47 2HD1 ILE 47 0.218 -12.774 1.238 279 3HD1 ILE 47 3HD1 ILE 47 -1.543 -12.779 1.138 280 H TRP 48 H TRP 48 1.765 -8.733 2.351 281 HA TRP 48 HA TRP 48 1.972 -7.312 4.729 282 1HB TRP 48 1HB TRP 48 3.827 -7.801 3.196 283 2HB TRP 48 2HB TRP 48 3.120 -6.747 1.987 284 HD1 TRP 48 HD1 TRP 48 5.603 -6.785 4.702 285 HE1 TRP 48 HE1 TRP 48 6.480 -4.409 5.116 286 HE3 TRP 48 HE3 TRP 48 2.111 -4.114 2.113 287 HZ2 TRP 48 HZ2 TRP 48 5.806 -1.769 4.464 288 HZ3 TRP 48 HZ3 TRP 48 2.298 -1.670 2.058 289 HH2 TRP 48 HH2 TRP 48 4.114 -0.525 3.200 290 H PHE 49 H PHE 49 0.905 -6.209 1.534 291 HA PHE 49 HA PHE 49 0.230 -3.602 2.451 292 1HB PHE 49 1HB PHE 49 -0.123 -5.093 -0.100 293 2HB PHE 49 2HB PHE 49 -1.127 -3.662 0.174 294 HD1 PHE 49 HD1 PHE 49 2.280 -4.905 -0.220 295 HD2 PHE 49 HD2 PHE 49 -0.166 -1.474 0.315 296 HE1 PHE 49 HE1 PHE 49 4.215 -3.467 -0.708 297 HE2 PHE 49 HE2 PHE 49 1.767 -0.018 -0.184 298 HZ PHE 49 HZ PHE 49 3.967 -1.030 -0.668 299 H GLN 50 H GLN 50 -1.640 -6.525 1.870 300 HA GLN 50 HA GLN 50 -4.141 -5.342 2.404 301 1HB GLN 50 1HB GLN 50 -3.166 -8.192 2.437 302 2HB GLN 50 2HB GLN 50 -4.820 -7.782 2.869 303 1HG GLN 50 1HG GLN 50 -4.443 -6.461 0.483 304 2HG GLN 50 2HG GLN 50 -3.566 -7.974 0.261 305 1HE2 GLN 50 1HE2 GLN 50 -4.719 -9.956 0.567 306 2HE2 GLN 50 2HE2 GLN 50 -6.425 -10.016 0.303 307 H ASN 51 H ASN 51 -1.630 -6.690 4.436 308 HA ASN 51 HA ASN 51 -3.272 -6.808 6.797 309 1HB ASN 51 1HB ASN 51 -0.376 -7.243 6.187 310 2HB ASN 51 2HB ASN 51 -0.865 -6.987 7.859 311 1HD2 ASN 51 1HD2 ASN 51 0.244 -9.285 7.502 312 2HD2 ASN 51 2HD2 ASN 51 -0.894 -10.582 7.407 313 H LYS 52 H LYS 52 -0.844 -4.603 5.480 314 HA LYS 52 HA LYS 52 -0.699 -2.880 7.706 315 1HB LYS 52 1HB LYS 52 0.733 -3.079 5.462 316 2HB LYS 52 2HB LYS 52 -0.332 -1.770 4.969 317 1HG LYS 52 1HG LYS 52 0.360 -0.692 7.222 318 2HG LYS 52 2HG LYS 52 1.712 -1.825 7.143 319 1HD LYS 52 1HD LYS 52 2.495 0.159 6.140 320 2HD LYS 52 2HD LYS 52 2.128 -0.931 4.801 321 1HE LYS 52 1HE LYS 52 1.331 1.366 4.400 322 2HE LYS 52 2HE LYS 52 0.020 0.187 4.419 323 1HZ LYS 52 1HZ LYS 52 -0.838 1.033 6.319 324 2HZ LYS 52 2HZ LYS 52 -0.100 2.447 5.755 325 3HZ LYS 52 3HZ LYS 52 0.663 1.511 6.940 326 H ARG 53 H ARG 53 -2.825 -2.972 4.903 327 HA ARG 53 HA ARG 53 -4.470 -0.892 6.178 328 1HB ARG 53 1HB ARG 53 -4.095 -1.207 3.196 329 2HB ARG 53 2HB ARG 53 -5.012 0.048 4.020 330 1HG ARG 53 1HG ARG 53 -2.849 0.764 5.094 331 2HG ARG 53 2HG ARG 53 -2.033 -0.335 3.980 332 1HD ARG 53 1HD ARG 53 -1.928 1.681 2.853 333 2HD ARG 53 2HD ARG 53 -3.358 0.931 2.149 334 HE ARG 53 HE ARG 53 -3.282 3.228 3.938 335 1HH1 ARG 53 1HH1 ARG 53 -5.222 0.879 2.224 336 2HH1 ARG 53 2HH1 ARG 53 -6.672 1.818 2.333 337 1HH2 ARG 53 1HH2 ARG 53 -5.191 4.456 4.080 338 2HH2 ARG 53 2HH2 ARG 53 -6.655 3.846 3.385 339 H ALA 54 H ALA 54 -6.094 -2.090 6.985 340 HA ALA 54 HA ALA 54 -7.768 -3.533 5.077 341 1HB ALA 54 1HB ALA 54 -6.197 -4.791 7.193 342 2HB ALA 54 2HB ALA 54 -6.968 -5.502 5.775 343 3HB ALA 54 3HB ALA 54 -7.909 -5.211 7.237 344 H LYS 55 H LYS 55 -7.445 -2.738 8.541 345 HA LYS 55 HA LYS 55 -9.963 -1.325 8.490 346 1HB LYS 55 1HB LYS 55 -10.084 -4.013 9.068 347 2HB LYS 55 2HB LYS 55 -9.981 -3.287 10.666 348 1HG LYS 55 1HG LYS 55 -12.268 -3.468 10.219 349 2HG LYS 55 2HG LYS 55 -11.883 -1.772 9.931 350 1HD LYS 55 1HD LYS 55 -11.553 -3.408 7.549 351 2HD LYS 55 2HD LYS 55 -13.196 -3.472 8.191 352 1HE LYS 55 1HE LYS 55 -13.225 -0.992 8.225 353 2HE LYS 55 2HE LYS 55 -11.637 -0.997 7.460 354 1HZ LYS 55 1HZ LYS 55 -13.692 -2.562 6.131 355 2HZ LYS 55 2HZ LYS 55 -12.498 -1.560 5.474 356 3HZ LYS 55 3HZ LYS 55 -13.915 -0.885 6.103 357 H ILE 56 H ILE 56 -7.642 -2.829 10.743 358 HA ILE 56 HA ILE 56 -6.511 -2.007 12.539 359 HB ILE 56 HB ILE 56 -6.887 0.700 11.259 360 1HG1 ILE 56 1HG1 ILE 56 -4.352 -0.735 10.833 361 2HG1 ILE 56 2HG1 ILE 56 -5.740 -1.461 10.028 362 1HG2 ILE 56 1HG2 ILE 56 -5.103 -0.391 13.388 363 2HG2 ILE 56 2HG2 ILE 56 -6.002 1.127 13.341 364 3HG2 ILE 56 3HG2 ILE 56 -4.539 0.937 12.373 365 1HD1 ILE 56 1HD1 ILE 56 -5.171 1.462 9.765 366 2HD1 ILE 56 2HD1 ILE 56 -6.098 0.405 8.700 367 3HD1 ILE 56 3HD1 ILE 56 -4.340 0.274 8.761 368 H LYS 57 H LYS 57 -7.836 -2.353 14.253 369 HA LYS 57 HA LYS 57 -10.083 -0.614 14.784 370 1HB LYS 57 1HB LYS 57 -9.218 -3.228 15.615 371 2HB LYS 57 2HB LYS 57 -9.571 -2.249 17.033 372 1HG LYS 57 1HG LYS 57 -11.771 -2.323 16.677 373 2HG LYS 57 2HG LYS 57 -11.594 -2.025 14.947 374 1HD LYS 57 1HD LYS 57 -12.386 -4.153 14.843 375 2HD LYS 57 2HD LYS 57 -10.670 -4.522 15.018 376 1HE LYS 57 1HE LYS 57 -11.116 -4.551 17.534 377 2HE LYS 57 2HE LYS 57 -12.826 -4.601 17.108 378 1HZ LYS 57 1HZ LYS 57 -12.411 -6.627 15.852 379 2HZ LYS 57 2HZ LYS 57 -11.949 -6.817 17.467 380 3HZ LYS 57 3HZ LYS 57 -10.773 -6.580 16.275 381 H LYS 58 H LYS 58 -10.345 0.334 17.000 382 HA LYS 58 HA LYS 58 -7.870 1.721 17.728 383 1HB LYS 58 1HB LYS 58 -10.753 2.387 17.818 384 2HB LYS 58 2HB LYS 58 -9.779 3.009 19.144 385 1HG LYS 58 1HG LYS 58 -9.899 4.671 17.432 386 2HG LYS 58 2HG LYS 58 -8.254 4.033 17.481 387 1HD LYS 58 1HD LYS 58 -8.403 3.148 15.414 388 2HD LYS 58 2HD LYS 58 -10.075 2.633 15.646 389 1HE LYS 58 1HE LYS 58 -9.807 4.367 13.892 390 2HE LYS 58 2HE LYS 58 -10.881 4.850 15.204 391 1HZ LYS 58 1HZ LYS 58 -9.216 6.233 16.115 392 2HZ LYS 58 2HZ LYS 58 -9.247 6.572 14.459 393 3HZ LYS 58 3HZ LYS 58 -8.016 5.606 15.101 394 H SER 59 H SER 59 -8.398 -1.015 18.570 395 HA SER 59 HA SER 59 -9.032 -0.827 21.398 396 1HB SER 59 1HB SER 59 -9.727 -2.760 19.868 397 2HB SER 59 2HB SER 59 -8.045 -3.284 19.950 398 HG SER 59 HG SER 59 -9.897 -3.887 21.637 Start of MODEL 8 1 1H ALA 16 1H ALA 16 -20.117 14.585 -7.074 2 2H ALA 16 2H ALA 16 -19.383 13.075 -6.717 3 3H ALA 16 3H ALA 16 -19.211 13.767 -8.278 4 HA ALA 16 HA ALA 16 -17.818 15.400 -7.558 5 1HB ALA 16 1HB ALA 16 -19.157 16.080 -5.628 6 2HB ALA 16 2HB ALA 16 -17.450 15.932 -5.209 7 3HB ALA 16 3HB ALA 16 -18.587 14.670 -4.736 8 H LYS 17 H LYS 17 -17.707 12.456 -8.014 9 HA LYS 17 HA LYS 17 -15.260 11.829 -6.504 10 1HB LYS 17 1HB LYS 17 -15.704 9.464 -7.213 11 2HB LYS 17 2HB LYS 17 -16.923 10.149 -6.145 12 1HG LYS 17 1HG LYS 17 -18.415 10.508 -8.001 13 2HG LYS 17 2HG LYS 17 -17.178 9.970 -9.140 14 1HD LYS 17 1HD LYS 17 -17.277 7.845 -7.470 15 2HD LYS 17 2HD LYS 17 -18.948 8.404 -7.379 16 1HE LYS 17 1HE LYS 17 -17.437 7.779 -9.914 17 2HE LYS 17 2HE LYS 17 -18.634 6.735 -9.149 18 1HZ LYS 17 1HZ LYS 17 -19.362 9.490 -9.880 19 2HZ LYS 17 2HZ LYS 17 -20.350 8.125 -9.734 20 3HZ LYS 17 3HZ LYS 17 -19.333 8.291 -11.074 21 H ARG 18 H ARG 18 -13.498 10.830 -7.629 22 HA ARG 18 HA ARG 18 -13.494 11.161 -10.541 23 1HB ARG 18 1HB ARG 18 -11.225 12.149 -8.814 24 2HB ARG 18 2HB ARG 18 -11.426 12.365 -10.547 25 1HG ARG 18 1HG ARG 18 -13.424 13.490 -8.625 26 2HG ARG 18 2HG ARG 18 -11.922 14.343 -8.982 27 1HD ARG 18 1HD ARG 18 -13.849 13.406 -11.098 28 2HD ARG 18 2HD ARG 18 -13.902 15.015 -10.378 29 HE ARG 18 HE ARG 18 -11.327 14.733 -11.248 30 1HH1 ARG 18 1HH1 ARG 18 -14.473 14.510 -12.743 31 2HH1 ARG 18 2HH1 ARG 18 -13.912 15.039 -14.294 32 1HH2 ARG 18 1HH2 ARG 18 -10.586 15.427 -13.287 33 2HH2 ARG 18 2HH2 ARG 18 -11.704 15.559 -14.603 34 H GLU 19 H GLU 19 -12.545 9.515 -11.579 35 HA GLU 19 HA GLU 19 -11.599 7.265 -10.104 36 1HB GLU 19 1HB GLU 19 -12.006 7.924 -12.978 37 2HB GLU 19 2HB GLU 19 -10.922 6.594 -12.592 38 1HG GLU 19 1HG GLU 19 -12.595 5.275 -11.794 39 2HG GLU 19 2HG GLU 19 -13.578 6.643 -11.275 40 H PHE 20 H PHE 20 -9.634 7.007 -9.297 41 HA PHE 20 HA PHE 20 -7.399 8.475 -10.522 42 1HB PHE 20 1HB PHE 20 -6.265 8.257 -8.359 43 2HB PHE 20 2HB PHE 20 -7.833 9.034 -8.172 44 HD1 PHE 20 HD1 PHE 20 -6.210 5.690 -7.957 45 HD2 PHE 20 HD2 PHE 20 -9.297 8.267 -6.563 46 HE1 PHE 20 HE1 PHE 20 -6.828 4.025 -6.254 47 HE2 PHE 20 HE2 PHE 20 -9.918 6.607 -4.858 48 HZ PHE 20 HZ PHE 20 -8.683 4.482 -4.701 49 H ASN 21 H ASN 21 -5.235 7.184 -9.670 50 HA ASN 21 HA ASN 21 -5.086 4.925 -11.358 51 1HB ASN 21 1HB ASN 21 -3.156 5.780 -9.199 52 2HB ASN 21 2HB ASN 21 -2.813 4.672 -10.522 53 1HD2 ASN 21 1HD2 ASN 21 -2.933 5.528 -12.699 54 2HD2 ASN 21 2HD2 ASN 21 -2.531 7.186 -12.976 55 H GLU 22 H GLU 22 -6.407 3.261 -10.828 56 HA GLU 22 HA GLU 22 -6.860 2.311 -8.211 57 1HB GLU 22 1HB GLU 22 -7.742 1.670 -10.831 58 2HB GLU 22 2HB GLU 22 -7.124 0.184 -10.123 59 1HG GLU 22 1HG GLU 22 -8.658 0.265 -8.348 60 2HG GLU 22 2HG GLU 22 -9.075 1.945 -8.681 61 H ASN 23 H ASN 23 -4.793 2.198 -7.263 62 HA ASN 23 HA ASN 23 -2.932 1.124 -6.524 63 1HB ASN 23 1HB ASN 23 -3.645 -1.252 -8.223 64 2HB ASN 23 2HB ASN 23 -2.770 -1.213 -6.697 65 1HD2 ASN 23 1HD2 ASN 23 -4.262 0.097 -4.996 66 2HD2 ASN 23 2HD2 ASN 23 -5.828 -0.609 -4.814 67 H ARG 24 H ARG 24 -1.553 2.491 -7.566 68 HA ARG 24 HA ARG 24 0.197 1.368 -9.482 69 1HB ARG 24 1HB ARG 24 -0.916 1.886 -11.367 70 2HB ARG 24 2HB ARG 24 -2.099 2.842 -10.486 71 1HG ARG 24 1HG ARG 24 -1.039 4.209 -12.141 72 2HG ARG 24 2HG ARG 24 -0.541 4.756 -10.541 73 1HD ARG 24 1HD ARG 24 1.616 4.209 -10.892 74 2HD ARG 24 2HD ARG 24 1.202 2.723 -11.747 75 HE ARG 24 HE ARG 24 0.535 4.721 -13.484 76 1HH1 ARG 24 1HH1 ARG 24 3.443 3.810 -11.785 77 2HH1 ARG 24 2HH1 ARG 24 4.501 4.426 -13.010 78 1HH2 ARG 24 1HH2 ARG 24 1.924 5.531 -15.096 79 2HH2 ARG 24 2HH2 ARG 24 3.638 5.405 -14.890 80 H TYR 25 H TYR 25 -1.069 4.562 -8.585 81 HA TYR 25 HA TYR 25 1.127 6.131 -8.710 82 1HB TYR 25 1HB TYR 25 0.138 7.506 -6.944 83 2HB TYR 25 2HB TYR 25 -1.113 6.913 -8.034 84 HD1 TYR 25 HD1 TYR 25 -2.090 4.513 -7.240 85 HD2 TYR 25 HD2 TYR 25 -0.371 7.456 -4.696 86 HE1 TYR 25 HE1 TYR 25 -3.289 3.551 -5.340 87 HE2 TYR 25 HE2 TYR 25 -1.578 6.502 -2.776 88 HH TYR 25 HH TYR 25 -3.227 3.477 -2.957 89 H LEU 26 H LEU 26 0.276 4.062 -5.950 90 HA LEU 26 HA LEU 26 3.061 4.293 -5.035 91 1HB LEU 26 1HB LEU 26 2.447 4.706 -2.910 92 2HB LEU 26 2HB LEU 26 0.989 5.303 -3.669 93 HG LEU 26 HG LEU 26 0.296 4.014 -1.819 94 1HD1 LEU 26 1HD1 LEU 26 -0.170 1.804 -3.640 95 2HD1 LEU 26 2HD1 LEU 26 -0.498 3.374 -4.372 96 3HD1 LEU 26 3HD1 LEU 26 -1.312 2.910 -2.879 97 1HD2 LEU 26 1HD2 LEU 26 2.657 2.658 -2.096 98 2HD2 LEU 26 2HD2 LEU 26 1.462 1.441 -2.544 99 3HD2 LEU 26 3HD2 LEU 26 1.358 2.242 -0.976 100 H THR 27 H THR 27 0.486 2.227 -5.928 101 HA THR 27 HA THR 27 1.064 -0.104 -4.552 102 HB THR 27 HB THR 27 -0.057 0.372 -7.308 103 HG1 THR 27 HG1 THR 27 -1.186 -0.399 -4.826 104 1HG2 THR 27 1HG2 THR 27 0.327 -2.245 -5.901 105 2HG2 THR 27 2HG2 THR 27 0.726 -1.812 -7.564 106 3HG2 THR 27 3HG2 THR 27 -0.960 -1.988 -7.078 107 H GLU 28 H GLU 28 1.808 0.025 -8.004 108 HA GLU 28 HA GLU 28 3.910 -1.823 -7.845 109 1HB GLU 28 1HB GLU 28 3.437 0.235 -10.004 110 2HB GLU 28 2HB GLU 28 4.368 -1.248 -10.161 111 1HG GLU 28 1HG GLU 28 2.386 -2.582 -9.884 112 2HG GLU 28 2HG GLU 28 1.422 -1.142 -9.556 113 H ARG 29 H ARG 29 3.891 1.681 -7.680 114 HA ARG 29 HA ARG 29 6.635 2.124 -8.092 115 1HB ARG 29 1HB ARG 29 4.578 3.773 -7.906 116 2HB ARG 29 2HB ARG 29 5.087 3.867 -6.226 117 1HG ARG 29 1HG ARG 29 6.219 5.630 -7.172 118 2HG ARG 29 2HG ARG 29 7.431 4.347 -7.229 119 1HD ARG 29 1HD ARG 29 5.941 4.113 -9.595 120 2HD ARG 29 2HD ARG 29 6.244 5.837 -9.383 121 HE ARG 29 HE ARG 29 8.136 3.864 -10.133 122 1HH1 ARG 29 1HH1 ARG 29 7.804 6.797 -8.270 123 2HH1 ARG 29 2HH1 ARG 29 9.468 7.246 -8.449 124 1HH2 ARG 29 1HH2 ARG 29 10.323 4.453 -10.369 125 2HH2 ARG 29 2HH2 ARG 29 10.897 5.917 -9.641 126 H ARG 30 H ARG 30 4.784 1.728 -5.085 127 HA ARG 30 HA ARG 30 7.169 1.817 -3.470 128 1HB ARG 30 1HB ARG 30 4.647 2.452 -2.901 129 2HB ARG 30 2HB ARG 30 4.608 0.777 -2.365 130 1HG ARG 30 1HG ARG 30 6.493 1.217 -0.868 131 2HG ARG 30 2HG ARG 30 6.521 2.897 -1.406 132 1HD ARG 30 1HD ARG 30 3.952 1.817 -0.385 133 2HD ARG 30 2HD ARG 30 5.233 2.124 0.788 134 HE ARG 30 HE ARG 30 3.642 4.068 -0.561 135 1HH1 ARG 30 1HH1 ARG 30 6.811 3.500 0.784 136 2HH1 ARG 30 2HH1 ARG 30 7.122 5.176 1.085 137 1HH2 ARG 30 1HH2 ARG 30 4.048 6.274 -0.166 138 2HH2 ARG 30 2HH2 ARG 30 5.554 6.751 0.546 139 H ARG 31 H ARG 31 5.312 -0.630 -5.052 140 HA ARG 31 HA ARG 31 5.968 -2.849 -3.458 141 1HB ARG 31 1HB ARG 31 4.693 -2.366 -5.984 142 2HB ARG 31 2HB ARG 31 5.819 -3.705 -6.155 143 1HG ARG 31 1HG ARG 31 4.674 -5.038 -4.677 144 2HG ARG 31 2HG ARG 31 3.940 -3.667 -3.842 145 1HD ARG 31 1HD ARG 31 2.162 -4.549 -5.038 146 2HD ARG 31 2HD ARG 31 2.730 -3.252 -6.087 147 HE ARG 31 HE ARG 31 3.354 -4.818 -7.640 148 1HH1 ARG 31 1HH1 ARG 31 2.718 -6.415 -4.602 149 2HH1 ARG 31 2HH1 ARG 31 2.811 -8.007 -5.278 150 1HH2 ARG 31 1HH2 ARG 31 3.477 -6.912 -8.529 151 2HH2 ARG 31 2HH2 ARG 31 3.242 -8.289 -7.506 152 H GLN 32 H GLN 32 7.612 -1.406 -6.245 153 HA GLN 32 HA GLN 32 9.638 -3.344 -6.484 154 1HB GLN 32 1HB GLN 32 9.250 -0.547 -7.427 155 2HB GLN 32 2HB GLN 32 10.878 -1.209 -7.486 156 1HG GLN 32 1HG GLN 32 9.703 -3.216 -8.671 157 2HG GLN 32 2HG GLN 32 8.444 -2.024 -8.992 158 1HE2 GLN 32 1HE2 GLN 32 11.695 -3.013 -9.652 159 2HE2 GLN 32 2HE2 GLN 32 11.978 -1.932 -10.970 160 H GLN 33 H GLN 33 9.502 -0.296 -4.682 161 HA GLN 33 HA GLN 33 12.180 -0.528 -3.702 162 1HB GLN 33 1HB GLN 33 10.052 1.416 -3.614 163 2HB GLN 33 2HB GLN 33 10.743 1.204 -2.012 164 1HG GLN 33 1HG GLN 33 13.007 1.414 -3.362 165 2HG GLN 33 2HG GLN 33 11.966 2.291 -4.483 166 1HE2 GLN 33 1HE2 GLN 33 10.231 3.503 -2.722 167 2HE2 GLN 33 2HE2 GLN 33 11.094 4.659 -1.771 168 H LEU 34 H LEU 34 8.965 -1.175 -2.365 169 HA LEU 34 HA LEU 34 9.819 -1.810 0.242 170 1HB LEU 34 1HB LEU 34 7.369 -2.425 -1.361 171 2HB LEU 34 2HB LEU 34 7.602 -3.186 0.202 172 HG LEU 34 HG LEU 34 7.733 -0.201 -0.113 173 1HD1 LEU 34 1HD1 LEU 34 5.406 -0.035 0.408 174 2HD1 LEU 34 2HD1 LEU 34 5.264 -1.787 0.558 175 3HD1 LEU 34 3HD1 LEU 34 5.580 -1.059 -1.017 176 1HD2 LEU 34 1HD2 LEU 34 7.148 -0.242 2.257 177 2HD2 LEU 34 2HD2 LEU 34 8.623 -1.158 1.946 178 3HD2 LEU 34 3HD2 LEU 34 7.101 -2.005 2.219 179 H SER 35 H SER 35 9.477 -3.742 -2.679 180 HA SER 35 HA SER 35 9.894 -6.260 -1.445 181 1HB SER 35 1HB SER 35 10.186 -7.122 -3.683 182 2HB SER 35 2HB SER 35 8.892 -5.925 -3.719 183 HG SER 35 HG SER 35 10.313 -5.582 -5.439 184 H SER 36 H SER 36 12.080 -4.119 -3.272 185 HA SER 36 HA SER 36 14.392 -5.700 -2.825 186 1HB SER 36 1HB SER 36 15.596 -3.984 -3.897 187 2HB SER 36 2HB SER 36 13.994 -3.899 -4.628 188 HG SER 36 HG SER 36 13.518 -2.159 -3.281 189 H GLU 37 H GLU 37 13.046 -2.868 -1.192 190 HA GLU 37 HA GLU 37 15.204 -2.439 0.571 191 1HB GLU 37 1HB GLU 37 13.382 -0.800 0.049 192 2HB GLU 37 2HB GLU 37 12.303 -1.757 1.055 193 1HG GLU 37 1HG GLU 37 13.102 -0.879 2.934 194 2HG GLU 37 2HG GLU 37 14.775 -1.065 2.413 195 H LEU 38 H LEU 38 12.161 -4.229 0.975 196 HA LEU 38 HA LEU 38 12.937 -5.104 3.624 197 1HB LEU 38 1HB LEU 38 10.554 -5.777 1.903 198 2HB LEU 38 2HB LEU 38 10.794 -6.383 3.530 199 HG LEU 38 HG LEU 38 10.822 -3.432 3.097 200 1HD1 LEU 38 1HD1 LEU 38 8.195 -4.630 3.676 201 2HD1 LEU 38 2HD1 LEU 38 8.767 -4.795 2.017 202 3HD1 LEU 38 3HD1 LEU 38 8.611 -3.195 2.739 203 1HD2 LEU 38 1HD2 LEU 38 9.434 -3.867 5.339 204 2HD2 LEU 38 2HD2 LEU 38 11.196 -3.796 5.303 205 3HD2 LEU 38 3HD2 LEU 38 10.377 -5.357 5.299 206 H GLY 39 H GLY 39 13.234 -6.240 0.392 207 1HA GLY 39 1HA GLY 39 14.350 -8.079 -0.426 208 2HA GLY 39 2HA GLY 39 14.798 -8.477 1.225 209 H LEU 40 H LEU 40 11.448 -8.068 0.400 210 HA LEU 40 HA LEU 40 11.078 -10.969 0.734 211 1HB LEU 40 1HB LEU 40 8.598 -10.082 1.080 212 2HB LEU 40 2HB LEU 40 9.758 -10.160 2.394 213 HG LEU 40 HG LEU 40 10.277 -7.737 1.958 214 1HD1 LEU 40 1HD1 LEU 40 7.733 -7.759 0.359 215 2HD1 LEU 40 2HD1 LEU 40 9.329 -7.821 -0.386 216 3HD1 LEU 40 3HD1 LEU 40 8.867 -6.429 0.592 217 1HD2 LEU 40 1HD2 LEU 40 7.771 -7.119 2.730 218 2HD2 LEU 40 2HD2 LEU 40 8.978 -7.831 3.801 219 3HD2 LEU 40 3HD2 LEU 40 7.770 -8.858 3.027 220 H ASN 41 H ASN 41 9.216 -11.911 -0.440 221 HA ASN 41 HA ASN 41 9.307 -11.065 -3.214 222 1HB ASN 41 1HB ASN 41 9.295 -13.528 -2.089 223 2HB ASN 41 2HB ASN 41 7.577 -13.337 -2.429 224 1HD2 ASN 41 1HD2 ASN 41 7.016 -12.705 -4.649 225 2HD2 ASN 41 2HD2 ASN 41 7.968 -13.334 -5.944 226 H GLU 42 H GLU 42 7.378 -10.775 -4.486 227 HA GLU 42 HA GLU 42 5.564 -8.947 -3.468 228 1HB GLU 42 1HB GLU 42 5.138 -10.884 -5.755 229 2HB GLU 42 2HB GLU 42 4.220 -9.408 -5.481 230 1HG GLU 42 1HG GLU 42 5.961 -8.044 -6.122 231 2HG GLU 42 2HG GLU 42 7.185 -9.265 -5.775 232 H ALA 43 H ALA 43 5.505 -12.431 -3.403 233 HA ALA 43 HA ALA 43 2.792 -12.879 -2.860 234 1HB ALA 43 1HB ALA 43 4.752 -14.555 -3.288 235 2HB ALA 43 2HB ALA 43 3.385 -15.037 -2.284 236 3HB ALA 43 3HB ALA 43 4.897 -14.533 -1.531 237 H GLN 44 H GLN 44 5.468 -11.920 -0.826 238 HA GLN 44 HA GLN 44 3.980 -12.045 1.644 239 1HB GLN 44 1HB GLN 44 6.692 -11.101 0.802 240 2HB GLN 44 2HB GLN 44 6.049 -10.570 2.349 241 1HG GLN 44 1HG GLN 44 5.828 -13.448 1.907 242 2HG GLN 44 2HG GLN 44 7.485 -12.848 1.927 243 1HE2 GLN 44 1HE2 GLN 44 4.739 -11.560 3.712 244 2HE2 GLN 44 2HE2 GLN 44 5.361 -11.912 5.284 245 H ILE 45 H ILE 45 4.695 -9.798 -0.866 246 HA ILE 45 HA ILE 45 4.090 -7.382 0.441 247 HB ILE 45 HB ILE 45 4.028 -8.144 -2.477 248 1HG1 ILE 45 1HG1 ILE 45 6.215 -8.146 -1.215 249 2HG1 ILE 45 2HG1 ILE 45 6.157 -7.066 -2.605 250 1HG2 ILE 45 1HG2 ILE 45 3.770 -5.397 -1.280 251 2HG2 ILE 45 2HG2 ILE 45 2.502 -6.277 -2.129 252 3HG2 ILE 45 3HG2 ILE 45 3.948 -5.760 -2.994 253 1HD1 ILE 45 1HD1 ILE 45 7.210 -5.825 -0.959 254 2HD1 ILE 45 2HD1 ILE 45 6.116 -6.385 0.305 255 3HD1 ILE 45 3HD1 ILE 45 5.547 -5.243 -0.911 256 H LYS 46 H LYS 46 2.074 -9.686 -1.357 257 HA LYS 46 HA LYS 46 -0.265 -8.171 -1.527 258 1HB LYS 46 1HB LYS 46 0.435 -10.684 -2.290 259 2HB LYS 46 2HB LYS 46 -0.615 -11.046 -0.927 260 1HG LYS 46 1HG LYS 46 -1.654 -9.067 -2.840 261 2HG LYS 46 2HG LYS 46 -1.479 -10.712 -3.451 262 1HD LYS 46 1HD LYS 46 -2.642 -10.752 -0.822 263 2HD LYS 46 2HD LYS 46 -3.561 -9.674 -1.875 264 1HE LYS 46 1HE LYS 46 -3.431 -11.617 -3.577 265 2HE LYS 46 2HE LYS 46 -3.021 -12.606 -2.176 266 1HZ LYS 46 1HZ LYS 46 -5.551 -11.373 -2.899 267 2HZ LYS 46 2HZ LYS 46 -5.159 -11.336 -1.255 268 3HZ LYS 46 3HZ LYS 46 -5.247 -12.816 -2.070 269 H ILE 47 H ILE 47 0.829 -10.405 0.983 270 HA ILE 47 HA ILE 47 -1.353 -9.960 2.765 271 HB ILE 47 HB ILE 47 1.266 -11.330 2.850 272 1HG1 ILE 47 1HG1 ILE 47 -0.421 -12.847 4.305 273 2HG1 ILE 47 2HG1 ILE 47 -1.593 -11.914 3.380 274 1HG2 ILE 47 1HG2 ILE 47 -0.030 -10.295 5.363 275 2HG2 ILE 47 2HG2 ILE 47 1.621 -10.017 4.801 276 3HG2 ILE 47 3HG2 ILE 47 1.129 -11.625 5.338 277 1HD1 ILE 47 1HD1 ILE 47 0.456 -12.853 1.630 278 2HD1 ILE 47 2HD1 ILE 47 -1.272 -13.205 1.619 279 3HD1 ILE 47 3HD1 ILE 47 -0.177 -14.197 2.580 280 H TRP 48 H TRP 48 1.847 -8.662 2.358 281 HA TRP 48 HA TRP 48 2.143 -7.113 4.637 282 1HB TRP 48 1HB TRP 48 3.914 -7.616 3.010 283 2HB TRP 48 2HB TRP 48 3.097 -6.636 1.807 284 HD1 TRP 48 HD1 TRP 48 5.729 -6.476 4.381 285 HE1 TRP 48 HE1 TRP 48 6.546 -4.057 4.643 286 HE3 TRP 48 HE3 TRP 48 2.022 -4.040 1.862 287 HZ2 TRP 48 HZ2 TRP 48 5.751 -1.474 3.913 288 HZ3 TRP 48 HZ3 TRP 48 2.123 -1.594 1.691 289 HH2 TRP 48 HH2 TRP 48 3.956 -0.344 2.687 290 H PHE 49 H PHE 49 0.850 -6.206 1.469 291 HA PHE 49 HA PHE 49 0.150 -3.574 2.288 292 1HB PHE 49 1HB PHE 49 -0.318 -5.212 -0.151 293 2HB PHE 49 2HB PHE 49 -1.336 -3.790 0.107 294 HD1 PHE 49 HD1 PHE 49 2.061 -4.985 -0.460 295 HD2 PHE 49 HD2 PHE 49 -0.411 -1.579 0.100 296 HE1 PHE 49 HE1 PHE 49 3.929 -3.535 -1.144 297 HE2 PHE 49 HE2 PHE 49 1.451 -0.111 -0.598 298 HZ PHE 49 HZ PHE 49 3.633 -1.103 -1.192 299 H GLN 50 H GLN 50 -1.667 -6.572 1.984 300 HA GLN 50 HA GLN 50 -4.161 -5.417 2.620 301 1HB GLN 50 1HB GLN 50 -3.127 -8.247 2.745 302 2HB GLN 50 2HB GLN 50 -4.771 -7.834 3.212 303 1HG GLN 50 1HG GLN 50 -4.691 -6.665 0.806 304 2HG GLN 50 2HG GLN 50 -3.529 -7.965 0.542 305 1HE2 GLN 50 1HE2 GLN 50 -4.404 -10.103 1.656 306 2HE2 GLN 50 2HE2 GLN 50 -6.004 -10.532 1.166 307 H ASN 51 H ASN 51 -1.492 -6.623 4.536 308 HA ASN 51 HA ASN 51 -2.858 -6.879 6.998 309 1HB ASN 51 1HB ASN 51 -0.046 -6.804 6.099 310 2HB ASN 51 2HB ASN 51 -0.316 -6.307 7.767 311 1HD2 ASN 51 1HD2 ASN 51 -2.094 -8.694 5.879 312 2HD2 ASN 51 2HD2 ASN 51 -1.698 -10.044 6.879 313 H LYS 52 H LYS 52 -1.095 -4.191 5.514 314 HA LYS 52 HA LYS 52 -1.342 -2.444 7.739 315 1HB LYS 52 1HB LYS 52 -0.452 -2.231 4.927 316 2HB LYS 52 2HB LYS 52 -1.030 -0.740 5.658 317 1HG LYS 52 1HG LYS 52 0.570 -1.109 7.525 318 2HG LYS 52 2HG LYS 52 1.212 -2.492 6.638 319 1HD LYS 52 1HD LYS 52 2.551 -1.120 5.512 320 2HD LYS 52 2HD LYS 52 1.134 -0.315 4.837 321 1HE LYS 52 1HE LYS 52 1.817 0.463 7.587 322 2HE LYS 52 2HE LYS 52 3.017 0.899 6.373 323 1HZ LYS 52 1HZ LYS 52 0.777 1.670 5.160 324 2HZ LYS 52 2HZ LYS 52 1.700 2.689 6.146 325 3HZ LYS 52 3HZ LYS 52 0.331 1.920 6.773 326 H ARG 53 H ARG 53 -3.381 -3.200 5.011 327 HA ARG 53 HA ARG 53 -5.108 -0.938 5.300 328 1HB ARG 53 1HB ARG 53 -4.696 -2.644 3.282 329 2HB ARG 53 2HB ARG 53 -6.095 -3.426 4.007 330 1HG ARG 53 1HG ARG 53 -7.510 -1.815 3.336 331 2HG ARG 53 2HG ARG 53 -6.341 -0.523 3.620 332 1HD ARG 53 1HD ARG 53 -5.651 -2.332 1.416 333 2HD ARG 53 2HD ARG 53 -7.130 -1.406 1.165 334 HE ARG 53 HE ARG 53 -4.439 -0.399 1.201 335 1HH1 ARG 53 1HH1 ARG 53 -7.803 0.411 1.647 336 2HH1 ARG 53 2HH1 ARG 53 -7.573 2.092 1.304 337 1HH2 ARG 53 1HH2 ARG 53 -4.134 1.812 0.749 338 2HH2 ARG 53 2HH2 ARG 53 -5.491 2.888 0.793 339 H ALA 54 H ALA 54 -4.924 -4.108 6.705 340 HA ALA 54 HA ALA 54 -7.556 -4.471 7.549 341 1HB ALA 54 1HB ALA 54 -5.303 -5.926 7.756 342 2HB ALA 54 2HB ALA 54 -6.770 -6.260 8.677 343 3HB ALA 54 3HB ALA 54 -5.453 -5.350 9.417 344 H LYS 55 H LYS 55 -4.838 -3.002 9.333 345 HA LYS 55 HA LYS 55 -6.738 -1.947 11.293 346 1HB LYS 55 1HB LYS 55 -4.221 -3.046 11.571 347 2HB LYS 55 2HB LYS 55 -3.912 -1.321 11.717 348 1HG LYS 55 1HG LYS 55 -6.152 -2.497 13.278 349 2HG LYS 55 2HG LYS 55 -4.496 -2.791 13.813 350 1HD LYS 55 1HD LYS 55 -5.597 -0.047 13.233 351 2HD LYS 55 2HD LYS 55 -5.613 -0.785 14.836 352 1HE LYS 55 1HE LYS 55 -3.018 -0.820 13.446 353 2HE LYS 55 2HE LYS 55 -3.614 0.777 13.896 354 1HZ LYS 55 1HZ LYS 55 -2.219 -0.761 15.536 355 2HZ LYS 55 2HZ LYS 55 -3.773 -1.287 15.941 356 3HZ LYS 55 3HZ LYS 55 -3.372 0.350 16.084 357 H ILE 56 H ILE 56 -6.429 -0.887 8.525 358 HA ILE 56 HA ILE 56 -6.262 1.910 9.265 359 HB ILE 56 HB ILE 56 -4.538 0.899 7.004 360 1HG1 ILE 56 1HG1 ILE 56 -3.741 1.768 9.792 361 2HG1 ILE 56 2HG1 ILE 56 -3.596 0.145 9.129 362 1HG2 ILE 56 1HG2 ILE 56 -4.257 3.575 8.274 363 2HG2 ILE 56 2HG2 ILE 56 -5.588 3.305 7.151 364 3HG2 ILE 56 3HG2 ILE 56 -3.924 3.069 6.618 365 1HD1 ILE 56 1HD1 ILE 56 -2.188 1.579 7.313 366 2HD1 ILE 56 2HD1 ILE 56 -1.492 0.757 8.711 367 3HD1 ILE 56 3HD1 ILE 56 -1.867 2.478 8.796 368 H LYS 57 H LYS 57 -8.488 1.872 8.746 369 HA LYS 57 HA LYS 57 -9.141 1.429 5.918 370 1HB LYS 57 1HB LYS 57 -10.557 0.988 8.419 371 2HB LYS 57 2HB LYS 57 -11.523 1.919 7.282 372 1HG LYS 57 1HG LYS 57 -10.162 -0.623 6.464 373 2HG LYS 57 2HG LYS 57 -11.742 -0.625 7.248 374 1HD LYS 57 1HD LYS 57 -11.635 1.300 5.090 375 2HD LYS 57 2HD LYS 57 -11.220 -0.320 4.529 376 1HE LYS 57 1HE LYS 57 -13.677 0.324 4.456 377 2HE LYS 57 2HE LYS 57 -13.279 -1.208 5.234 378 1HZ LYS 57 1HZ LYS 57 -14.815 0.717 6.319 379 2HZ LYS 57 2HZ LYS 57 -13.315 1.053 7.025 380 3HZ LYS 57 3HZ LYS 57 -14.006 -0.480 7.202 381 H LYS 58 H LYS 58 -8.088 3.475 5.385 382 HA LYS 58 HA LYS 58 -8.133 5.673 4.803 383 1HB LYS 58 1HB LYS 58 -10.551 4.756 4.177 384 2HB LYS 58 2HB LYS 58 -11.038 5.894 5.424 385 1HG LYS 58 1HG LYS 58 -10.936 7.535 3.947 386 2HG LYS 58 2HG LYS 58 -9.208 7.239 3.749 387 1HD LYS 58 1HD LYS 58 -10.942 5.353 2.317 388 2HD LYS 58 2HD LYS 58 -11.065 7.025 1.767 389 1HE LYS 58 1HE LYS 58 -9.334 5.579 0.610 390 2HE LYS 58 2HE LYS 58 -8.773 7.128 1.238 391 1HZ LYS 58 1HZ LYS 58 -8.546 4.753 2.943 392 2HZ LYS 58 2HZ LYS 58 -7.567 6.130 2.882 393 3HZ LYS 58 3HZ LYS 58 -7.438 4.949 1.679 394 H SER 59 H SER 59 -8.952 7.933 5.602 395 HA SER 59 HA SER 59 -8.320 8.035 8.441 396 1HB SER 59 1HB SER 59 -8.302 10.559 7.965 397 2HB SER 59 2HB SER 59 -7.057 9.586 7.183 398 HG SER 59 HG SER 59 -7.794 10.545 5.453 Start of MODEL 9 1 1H ALA 16 1H ALA 16 -12.063 17.903 -6.029 2 2H ALA 16 2H ALA 16 -13.507 18.801 -5.802 3 3H ALA 16 3H ALA 16 -13.243 17.955 -7.271 4 HA ALA 16 HA ALA 16 -13.511 16.723 -4.615 5 1HB ALA 16 1HB ALA 16 -15.727 16.456 -4.949 6 2HB ALA 16 2HB ALA 16 -15.557 16.306 -6.698 7 3HB ALA 16 3HB ALA 16 -15.527 17.899 -5.943 8 H LYS 17 H LYS 17 -12.353 14.918 -4.622 9 HA LYS 17 HA LYS 17 -11.521 13.621 -7.031 10 1HB LYS 17 1HB LYS 17 -11.337 12.592 -4.196 11 2HB LYS 17 2HB LYS 17 -10.403 12.038 -5.579 12 1HG LYS 17 1HG LYS 17 -9.044 13.888 -5.579 13 2HG LYS 17 2HG LYS 17 -10.245 14.903 -4.778 14 1HD LYS 17 1HD LYS 17 -8.693 14.550 -3.095 15 2HD LYS 17 2HD LYS 17 -9.893 13.298 -2.770 16 1HE LYS 17 1HE LYS 17 -8.409 11.801 -4.253 17 2HE LYS 17 2HE LYS 17 -7.170 13.029 -3.996 18 1HZ LYS 17 1HZ LYS 17 -6.921 12.457 -1.838 19 2HZ LYS 17 2HZ LYS 17 -7.487 10.962 -2.389 20 3HZ LYS 17 3HZ LYS 17 -8.547 12.037 -1.627 21 H ARG 18 H ARG 18 -12.774 12.348 -8.212 22 HA ARG 18 HA ARG 18 -14.917 10.837 -6.882 23 1HB ARG 18 1HB ARG 18 -14.613 11.537 -9.808 24 2HB ARG 18 2HB ARG 18 -15.980 10.701 -9.084 25 1HG ARG 18 1HG ARG 18 -15.961 12.922 -7.578 26 2HG ARG 18 2HG ARG 18 -15.284 13.564 -9.076 27 1HD ARG 18 1HD ARG 18 -17.271 12.298 -10.189 28 2HD ARG 18 2HD ARG 18 -17.970 12.352 -8.571 29 HE ARG 18 HE ARG 18 -17.763 14.510 -10.416 30 1HH1 ARG 18 1HH1 ARG 18 -17.724 13.741 -7.012 31 2HH1 ARG 18 2HH1 ARG 18 -18.275 15.309 -6.524 32 1HH2 ARG 18 1HH2 ARG 18 -18.488 16.573 -9.776 33 2HH2 ARG 18 2HH2 ARG 18 -18.707 16.917 -8.092 34 H GLU 19 H GLU 19 -12.280 10.556 -9.219 35 HA GLU 19 HA GLU 19 -12.401 7.628 -8.891 36 1HB GLU 19 1HB GLU 19 -12.877 8.690 -11.216 37 2HB GLU 19 2HB GLU 19 -11.141 8.963 -11.268 38 1HG GLU 19 1HG GLU 19 -11.923 6.239 -10.530 39 2HG GLU 19 2HG GLU 19 -12.394 6.729 -12.156 40 H PHE 20 H PHE 20 -10.513 6.538 -8.453 41 HA PHE 20 HA PHE 20 -7.971 7.909 -8.500 42 1HB PHE 20 1HB PHE 20 -7.505 7.624 -6.114 43 2HB PHE 20 2HB PHE 20 -8.903 8.666 -6.356 44 HD1 PHE 20 HD1 PHE 20 -7.977 5.141 -5.641 45 HD2 PHE 20 HD2 PHE 20 -10.888 8.218 -5.250 46 HE1 PHE 20 HE1 PHE 20 -9.302 3.690 -4.162 47 HE2 PHE 20 HE2 PHE 20 -12.221 6.774 -3.768 48 HZ PHE 20 HZ PHE 20 -11.428 4.507 -3.223 49 H ASN 21 H ASN 21 -6.322 6.356 -7.227 50 HA ASN 21 HA ASN 21 -6.715 3.709 -8.437 51 1HB ASN 21 1HB ASN 21 -4.287 5.306 -7.694 52 2HB ASN 21 2HB ASN 21 -4.186 3.563 -7.911 53 1HD2 ASN 21 1HD2 ASN 21 -2.884 5.578 -9.465 54 2HD2 ASN 21 2HD2 ASN 21 -3.451 5.416 -11.089 55 H GLU 22 H GLU 22 -7.690 2.400 -6.983 56 HA GLU 22 HA GLU 22 -7.538 2.529 -4.213 57 1HB GLU 22 1HB GLU 22 -7.902 0.039 -5.892 58 2HB GLU 22 2HB GLU 22 -8.354 0.223 -4.202 59 1HG GLU 22 1HG GLU 22 -10.210 1.426 -4.683 60 2HG GLU 22 2HG GLU 22 -9.498 2.160 -6.118 61 H ASN 23 H ASN 23 -5.584 0.668 -6.491 62 HA ASN 23 HA ASN 23 -3.364 0.681 -4.638 63 1HB ASN 23 1HB ASN 23 -4.258 -1.966 -5.742 64 2HB ASN 23 2HB ASN 23 -3.028 -1.649 -4.527 65 1HD2 ASN 23 1HD2 ASN 23 -3.637 -1.211 -2.420 66 2HD2 ASN 23 2HD2 ASN 23 -5.236 -1.507 -1.837 67 H ARG 24 H ARG 24 -2.650 2.042 -6.323 68 HA ARG 24 HA ARG 24 -1.115 0.657 -8.323 69 1HB ARG 24 1HB ARG 24 -3.215 2.652 -9.211 70 2HB ARG 24 2HB ARG 24 -2.044 1.846 -10.248 71 1HG ARG 24 1HG ARG 24 -3.100 -0.330 -9.552 72 2HG ARG 24 2HG ARG 24 -4.373 0.629 -8.793 73 1HD ARG 24 1HD ARG 24 -3.706 1.303 -11.592 74 2HD ARG 24 2HD ARG 24 -4.491 -0.253 -11.329 75 HE ARG 24 HE ARG 24 -5.670 2.354 -11.058 76 1HH1 ARG 24 1HH1 ARG 24 -5.867 -0.989 -10.078 77 2HH1 ARG 24 2HH1 ARG 24 -7.555 -0.909 -9.703 78 1HH2 ARG 24 1HH2 ARG 24 -7.890 2.461 -10.565 79 2HH2 ARG 24 2HH2 ARG 24 -8.704 1.049 -9.980 80 H TYR 25 H TYR 25 -2.401 3.864 -7.519 81 HA TYR 25 HA TYR 25 -0.484 5.543 -8.399 82 1HB TYR 25 1HB TYR 25 -1.115 7.076 -6.616 83 2HB TYR 25 2HB TYR 25 -2.543 6.234 -7.211 84 HD1 TYR 25 HD1 TYR 25 -3.019 3.937 -5.862 85 HD2 TYR 25 HD2 TYR 25 -0.937 7.317 -4.332 86 HE1 TYR 25 HE1 TYR 25 -3.532 3.205 -3.578 87 HE2 TYR 25 HE2 TYR 25 -1.452 6.597 -2.037 88 HH TYR 25 HH TYR 25 -2.866 3.495 -1.352 89 H LEU 26 H LEU 26 -0.361 3.817 -5.298 90 HA LEU 26 HA LEU 26 2.525 4.374 -5.211 91 1HB LEU 26 1HB LEU 26 2.452 4.968 -3.034 92 2HB LEU 26 2HB LEU 26 0.809 5.397 -3.449 93 HG LEU 26 HG LEU 26 0.683 4.296 -1.373 94 1HD1 LEU 26 1HD1 LEU 26 -1.026 2.982 -1.889 95 2HD1 LEU 26 2HD1 LEU 26 0.001 1.846 -2.759 96 3HD1 LEU 26 3HD1 LEU 26 -0.621 3.278 -3.577 97 1HD2 LEU 26 1HD2 LEU 26 2.223 2.878 -0.657 98 2HD2 LEU 26 2HD2 LEU 26 2.987 2.937 -2.245 99 3HD2 LEU 26 3HD2 LEU 26 1.773 1.706 -1.895 100 H THR 27 H THR 27 0.048 2.009 -5.127 101 HA THR 27 HA THR 27 1.150 -0.086 -3.741 102 HB THR 27 HB THR 27 -0.482 -0.085 -6.279 103 HG1 THR 27 HG1 THR 27 -1.346 0.718 -4.221 104 1HG2 THR 27 1HG2 THR 27 -1.072 -2.451 -5.127 105 2HG2 THR 27 2HG2 THR 27 0.662 -2.355 -4.821 106 3HG2 THR 27 3HG2 THR 27 0.050 -2.248 -6.472 107 H GLU 28 H GLU 28 1.276 -0.048 -7.292 108 HA GLU 28 HA GLU 28 3.400 -1.846 -7.501 109 1HB GLU 28 1HB GLU 28 2.589 0.290 -9.478 110 2HB GLU 28 2HB GLU 28 3.553 -1.137 -9.836 111 1HG GLU 28 1HG GLU 28 0.771 -1.332 -8.736 112 2HG GLU 28 2HG GLU 28 1.093 -1.195 -10.464 113 H ARG 29 H ARG 29 3.394 1.651 -7.202 114 HA ARG 29 HA ARG 29 6.072 2.112 -7.935 115 1HB ARG 29 1HB ARG 29 3.965 3.705 -7.311 116 2HB ARG 29 2HB ARG 29 4.931 3.864 -5.850 117 1HG ARG 29 1HG ARG 29 6.508 4.119 -8.281 118 2HG ARG 29 2HG ARG 29 5.225 5.324 -8.156 119 1HD ARG 29 1HD ARG 29 6.285 6.425 -6.528 120 2HD ARG 29 2HD ARG 29 6.639 4.940 -5.646 121 HE ARG 29 HE ARG 29 8.734 4.945 -6.558 122 1HH1 ARG 29 1HH1 ARG 29 6.704 7.095 -8.409 123 2HH1 ARG 29 2HH1 ARG 29 8.010 7.708 -9.366 124 1HH2 ARG 29 1HH2 ARG 29 10.455 5.749 -7.817 125 2HH2 ARG 29 2HH2 ARG 29 10.140 6.943 -9.030 126 H ARG 30 H ARG 30 4.579 1.632 -4.747 127 HA ARG 30 HA ARG 30 7.129 1.675 -3.408 128 1HB ARG 30 1HB ARG 30 4.293 1.475 -2.604 129 2HB ARG 30 2HB ARG 30 5.442 0.675 -1.543 130 1HG ARG 30 1HG ARG 30 6.591 3.146 -2.038 131 2HG ARG 30 2HG ARG 30 4.868 3.490 -1.867 132 1HD ARG 30 1HD ARG 30 5.806 1.615 0.137 133 2HD ARG 30 2HD ARG 30 6.703 3.131 0.184 134 HE ARG 30 HE ARG 30 4.027 3.808 0.030 135 1HH1 ARG 30 1HH1 ARG 30 6.107 2.082 2.239 136 2HH1 ARG 30 2HH1 ARG 30 5.172 2.494 3.638 137 1HH2 ARG 30 1HH2 ARG 30 2.797 4.350 1.869 138 2HH2 ARG 30 2HH2 ARG 30 3.293 3.782 3.427 139 H ARG 31 H ARG 31 5.107 -0.721 -4.852 140 HA ARG 31 HA ARG 31 5.836 -2.995 -3.417 141 1HB ARG 31 1HB ARG 31 4.571 -2.393 -5.959 142 2HB ARG 31 2HB ARG 31 5.583 -3.826 -6.076 143 1HG ARG 31 1HG ARG 31 4.217 -5.057 -4.787 144 2HG ARG 31 2HG ARG 31 3.829 -3.708 -3.718 145 1HD ARG 31 1HD ARG 31 1.818 -4.203 -4.825 146 2HD ARG 31 2HD ARG 31 2.456 -2.785 -5.653 147 HE ARG 31 HE ARG 31 2.745 -4.046 -7.549 148 1HH1 ARG 31 1HH1 ARG 31 2.073 -6.157 -4.851 149 2HH1 ARG 31 2HH1 ARG 31 1.869 -7.563 -5.842 150 1HH2 ARG 31 1HH2 ARG 31 2.478 -5.893 -8.851 151 2HH2 ARG 31 2HH2 ARG 31 2.099 -7.413 -8.112 152 H GLN 32 H GLN 32 7.423 -1.401 -6.132 153 HA GLN 32 HA GLN 32 9.438 -3.372 -6.481 154 1HB GLN 32 1HB GLN 32 8.804 -0.730 -7.565 155 2HB GLN 32 2HB GLN 32 10.533 -1.020 -7.433 156 1HG GLN 32 1HG GLN 32 9.599 -1.641 -9.626 157 2HG GLN 32 2HG GLN 32 10.369 -2.989 -8.789 158 1HE2 GLN 32 1HE2 GLN 32 7.166 -1.557 -8.353 159 2HE2 GLN 32 2HE2 GLN 32 6.279 -2.995 -8.712 160 H GLN 33 H GLN 33 9.298 -0.335 -4.672 161 HA GLN 33 HA GLN 33 12.020 -0.485 -3.805 162 1HB GLN 33 1HB GLN 33 9.677 1.237 -3.043 163 2HB GLN 33 2HB GLN 33 11.200 1.328 -2.168 164 1HG GLN 33 1HG GLN 33 12.287 1.727 -4.436 165 2HG GLN 33 2HG GLN 33 10.652 2.001 -5.036 166 1HE2 GLN 33 1HE2 GLN 33 11.309 4.143 -5.544 167 2HE2 GLN 33 2HE2 GLN 33 11.388 5.354 -4.314 168 H LEU 34 H LEU 34 8.897 -1.338 -2.369 169 HA LEU 34 HA LEU 34 9.879 -1.864 0.225 170 1HB LEU 34 1HB LEU 34 7.404 -2.471 -1.281 171 2HB LEU 34 2HB LEU 34 7.742 -3.485 0.109 172 HG LEU 34 HG LEU 34 7.795 -0.497 0.360 173 1HD1 LEU 34 1HD1 LEU 34 5.510 -0.354 0.720 174 2HD1 LEU 34 2HD1 LEU 34 5.331 -2.098 0.914 175 3HD1 LEU 34 3HD1 LEU 34 5.628 -1.415 -0.684 176 1HD2 LEU 34 1HD2 LEU 34 8.707 -1.723 2.212 177 2HD2 LEU 34 2HD2 LEU 34 7.296 -2.780 2.265 178 3HD2 LEU 34 3HD2 LEU 34 7.137 -1.074 2.685 179 H SER 35 H SER 35 9.472 -3.909 -2.623 180 HA SER 35 HA SER 35 10.092 -6.358 -1.395 181 1HB SER 35 1HB SER 35 10.381 -7.229 -3.612 182 2HB SER 35 2HB SER 35 9.083 -6.038 -3.691 183 HG SER 35 HG SER 35 10.524 -4.571 -4.578 184 H SER 36 H SER 36 12.146 -4.039 -3.141 185 HA SER 36 HA SER 36 14.552 -5.494 -2.784 186 1HB SER 36 1HB SER 36 13.856 -3.427 -4.361 187 2HB SER 36 2HB SER 36 14.710 -2.551 -3.091 188 HG SER 36 HG SER 36 15.675 -4.513 -4.858 189 H GLU 37 H GLU 37 13.001 -2.916 -0.938 190 HA GLU 37 HA GLU 37 15.176 -2.405 0.796 191 1HB GLU 37 1HB GLU 37 12.304 -1.702 0.691 192 2HB GLU 37 2HB GLU 37 13.052 -1.644 2.281 193 1HG GLU 37 1HG GLU 37 14.573 -0.344 0.130 194 2HG GLU 37 2HG GLU 37 13.027 0.404 0.529 195 H LEU 38 H LEU 38 12.220 -4.337 1.251 196 HA LEU 38 HA LEU 38 13.211 -5.367 3.769 197 1HB LEU 38 1HB LEU 38 10.684 -5.719 2.200 198 2HB LEU 38 2HB LEU 38 11.057 -6.795 3.533 199 HG LEU 38 HG LEU 38 11.323 -4.648 4.934 200 1HD1 LEU 38 1HD1 LEU 38 10.713 -2.654 4.111 201 2HD1 LEU 38 2HD1 LEU 38 9.370 -3.332 3.190 202 3HD1 LEU 38 3HD1 LEU 38 11.008 -3.399 2.540 203 1HD2 LEU 38 1HD2 LEU 38 8.522 -5.142 3.994 204 2HD2 LEU 38 2HD2 LEU 38 9.106 -4.796 5.622 205 3HD2 LEU 38 3HD2 LEU 38 9.411 -6.372 4.892 206 H GLY 39 H GLY 39 13.292 -6.283 0.460 207 1HA GLY 39 1HA GLY 39 14.366 -8.045 -0.557 208 2HA GLY 39 2HA GLY 39 14.933 -8.546 1.029 209 H LEU 40 H LEU 40 11.537 -8.124 0.349 210 HA LEU 40 HA LEU 40 11.200 -11.035 0.610 211 1HB LEU 40 1HB LEU 40 8.714 -10.133 1.034 212 2HB LEU 40 2HB LEU 40 9.895 -10.333 2.313 213 HG LEU 40 HG LEU 40 10.479 -7.889 2.002 214 1HD1 LEU 40 1HD1 LEU 40 9.060 -8.056 -0.287 215 2HD1 LEU 40 2HD1 LEU 40 9.365 -6.550 0.577 216 3HD1 LEU 40 3HD1 LEU 40 7.838 -7.402 0.801 217 1HD2 LEU 40 1HD2 LEU 40 9.288 -8.104 3.908 218 2HD2 LEU 40 2HD2 LEU 40 8.004 -9.031 3.129 219 3HD2 LEU 40 3HD2 LEU 40 8.047 -7.274 2.967 220 H ASN 41 H ASN 41 9.344 -11.977 -0.549 221 HA ASN 41 HA ASN 41 9.350 -11.050 -3.293 222 1HB ASN 41 1HB ASN 41 7.938 -13.163 -3.635 223 2HB ASN 41 2HB ASN 41 9.609 -13.386 -3.127 224 1HD2 ASN 41 1HD2 ASN 41 6.313 -13.190 -1.929 225 2HD2 ASN 41 2HD2 ASN 41 6.536 -14.254 -0.588 226 H GLU 42 H GLU 42 7.392 -10.774 -4.522 227 HA GLU 42 HA GLU 42 5.618 -8.933 -3.463 228 1HB GLU 42 1HB GLU 42 6.044 -9.423 -5.899 229 2HB GLU 42 2HB GLU 42 5.006 -10.834 -5.732 230 1HG GLU 42 1HG GLU 42 3.425 -8.856 -4.727 231 2HG GLU 42 2HG GLU 42 4.316 -8.007 -5.989 232 H ALA 43 H ALA 43 5.488 -12.415 -3.439 233 HA ALA 43 HA ALA 43 2.772 -12.811 -2.879 234 1HB ALA 43 1HB ALA 43 4.688 -14.574 -1.479 235 2HB ALA 43 2HB ALA 43 4.851 -14.476 -3.233 236 3HB ALA 43 3HB ALA 43 3.321 -14.981 -2.517 237 H GLN 44 H GLN 44 5.459 -11.887 -0.848 238 HA GLN 44 HA GLN 44 3.971 -12.035 1.625 239 1HB GLN 44 1HB GLN 44 6.693 -11.064 0.814 240 2HB GLN 44 2HB GLN 44 6.046 -10.641 2.392 241 1HG GLN 44 1HG GLN 44 5.799 -13.475 1.824 242 2HG GLN 44 2HG GLN 44 7.468 -12.911 1.759 243 1HE2 GLN 44 1HE2 GLN 44 4.880 -11.642 3.777 244 2HE2 GLN 44 2HE2 GLN 44 5.596 -12.078 5.287 245 H ILE 45 H ILE 45 4.728 -9.763 -0.853 246 HA ILE 45 HA ILE 45 4.146 -7.360 0.488 247 HB ILE 45 HB ILE 45 4.072 -8.068 -2.444 248 1HG1 ILE 45 1HG1 ILE 45 6.252 -8.131 -1.086 249 2HG1 ILE 45 2HG1 ILE 45 6.249 -7.180 -2.567 250 1HG2 ILE 45 1HG2 ILE 45 2.612 -6.151 -2.025 251 2HG2 ILE 45 2HG2 ILE 45 4.060 -5.682 -2.915 252 3HG2 ILE 45 3HG2 ILE 45 3.935 -5.333 -1.194 253 1HD1 ILE 45 1HD1 ILE 45 5.993 -6.123 0.237 254 2HD1 ILE 45 2HD1 ILE 45 5.897 -5.147 -1.227 255 3HD1 ILE 45 3HD1 ILE 45 7.395 -5.989 -0.826 256 H LYS 46 H LYS 46 2.118 -9.614 -1.357 257 HA LYS 46 HA LYS 46 -0.199 -8.064 -1.525 258 1HB LYS 46 1HB LYS 46 0.502 -10.613 -2.273 259 2HB LYS 46 2HB LYS 46 -0.669 -10.918 -0.997 260 1HG LYS 46 1HG LYS 46 -1.972 -9.026 -2.418 261 2HG LYS 46 2HG LYS 46 -1.052 -9.824 -3.695 262 1HD LYS 46 1HD LYS 46 -2.138 -11.830 -3.411 263 2HD LYS 46 2HD LYS 46 -2.522 -11.503 -1.719 264 1HE LYS 46 1HE LYS 46 -4.588 -11.101 -2.509 265 2HE LYS 46 2HE LYS 46 -3.914 -9.533 -2.952 266 1HZ LYS 46 1HZ LYS 46 -3.670 -10.178 -5.157 267 2HZ LYS 46 2HZ LYS 46 -5.163 -10.846 -4.727 268 3HZ LYS 46 3HZ LYS 46 -3.789 -11.829 -4.806 269 H ILE 47 H ILE 47 0.833 -10.367 0.953 270 HA ILE 47 HA ILE 47 -1.373 -9.925 2.708 271 HB ILE 47 HB ILE 47 1.214 -11.350 2.802 272 1HG1 ILE 47 1HG1 ILE 47 -1.366 -12.130 4.136 273 2HG1 ILE 47 2HG1 ILE 47 -1.174 -12.259 2.391 274 1HG2 ILE 47 1HG2 ILE 47 1.601 -10.079 4.769 275 2HG2 ILE 47 2HG2 ILE 47 1.049 -11.673 5.289 276 3HG2 ILE 47 3HG2 ILE 47 -0.062 -10.303 5.319 277 1HD1 ILE 47 1HD1 ILE 47 0.262 -13.747 4.552 278 2HD1 ILE 47 2HD1 ILE 47 0.914 -13.637 2.916 279 3HD1 ILE 47 3HD1 ILE 47 -0.662 -14.380 3.189 280 H TRP 48 H TRP 48 1.875 -8.692 2.416 281 HA TRP 48 HA TRP 48 2.125 -7.174 4.720 282 1HB TRP 48 1HB TRP 48 3.943 -7.686 3.153 283 2HB TRP 48 2HB TRP 48 3.177 -6.698 1.924 284 HD1 TRP 48 HD1 TRP 48 5.745 -6.569 4.559 285 HE1 TRP 48 HE1 TRP 48 6.582 -4.158 4.840 286 HE3 TRP 48 HE3 TRP 48 2.119 -4.085 1.970 287 HZ2 TRP 48 HZ2 TRP 48 5.832 -1.566 4.103 288 HZ3 TRP 48 HZ3 TRP 48 2.249 -1.642 1.808 289 HH2 TRP 48 HH2 TRP 48 4.076 -0.413 2.841 290 H PHE 49 H PHE 49 0.948 -6.215 1.524 291 HA PHE 49 HA PHE 49 0.230 -3.589 2.357 292 1HB PHE 49 1HB PHE 49 -0.150 -5.190 -0.122 293 2HB PHE 49 2HB PHE 49 -1.189 -3.781 0.123 294 HD1 PHE 49 HD1 PHE 49 2.237 -4.937 -0.331 295 HD2 PHE 49 HD2 PHE 49 -0.291 -1.563 0.158 296 HE1 PHE 49 HE1 PHE 49 4.113 -3.464 -0.936 297 HE2 PHE 49 HE2 PHE 49 1.579 -0.070 -0.458 298 HZ PHE 49 HZ PHE 49 3.793 -1.034 -0.977 299 H GLN 50 H GLN 50 -1.550 -6.587 1.931 300 HA GLN 50 HA GLN 50 -4.091 -5.526 2.442 301 1HB GLN 50 1HB GLN 50 -2.882 -8.258 2.536 302 2HB GLN 50 2HB GLN 50 -4.465 -8.022 3.261 303 1HG GLN 50 1HG GLN 50 -4.406 -8.822 0.866 304 2HG GLN 50 2HG GLN 50 -5.441 -7.439 1.216 305 1HE2 GLN 50 1HE2 GLN 50 -3.395 -8.631 -0.984 306 2HE2 GLN 50 2HE2 GLN 50 -2.781 -7.170 -1.671 307 H ASN 51 H ASN 51 -1.481 -6.539 4.544 308 HA ASN 51 HA ASN 51 -3.033 -6.632 6.940 309 1HB ASN 51 1HB ASN 51 -0.203 -6.899 6.196 310 2HB ASN 51 2HB ASN 51 -0.461 -6.178 7.782 311 1HD2 ASN 51 1HD2 ASN 51 -2.424 -8.591 6.123 312 2HD2 ASN 51 2HD2 ASN 51 -2.196 -9.843 7.291 313 H LYS 52 H LYS 52 -0.994 -4.193 5.394 314 HA LYS 52 HA LYS 52 -1.252 -2.284 7.497 315 1HB LYS 52 1HB LYS 52 0.085 -2.468 4.934 316 2HB LYS 52 2HB LYS 52 -0.657 -0.888 5.144 317 1HG LYS 52 1HG LYS 52 0.586 -0.462 7.110 318 2HG LYS 52 2HG LYS 52 1.129 -2.138 7.211 319 1HD LYS 52 1HD LYS 52 2.796 -1.809 5.737 320 2HD LYS 52 2HD LYS 52 1.797 -0.801 4.688 321 1HE LYS 52 1HE LYS 52 2.239 0.655 7.070 322 2HE LYS 52 2HE LYS 52 3.794 -0.015 6.577 323 1HZ LYS 52 1HZ LYS 52 3.123 2.239 5.640 324 2HZ LYS 52 2HZ LYS 52 2.047 1.387 4.651 325 3HZ LYS 52 3HZ LYS 52 3.708 1.088 4.545 326 H ARG 53 H ARG 53 -3.052 -3.025 4.594 327 HA ARG 53 HA ARG 53 -4.638 -0.619 4.709 328 1HB ARG 53 1HB ARG 53 -4.796 -3.118 3.029 329 2HB ARG 53 2HB ARG 53 -5.979 -1.822 2.913 330 1HG ARG 53 1HG ARG 53 -3.090 -1.159 2.647 331 2HG ARG 53 2HG ARG 53 -3.926 -1.924 1.294 332 1HD ARG 53 1HD ARG 53 -5.280 -0.114 0.929 333 2HD ARG 53 2HD ARG 53 -5.222 0.405 2.614 334 HE ARG 53 HE ARG 53 -2.709 0.655 1.240 335 1HH1 ARG 53 1HH1 ARG 53 -5.758 2.205 1.930 336 2HH1 ARG 53 2HH1 ARG 53 -5.149 3.804 1.662 337 1HH2 ARG 53 1HH2 ARG 53 -1.905 2.758 0.887 338 2HH2 ARG 53 2HH2 ARG 53 -2.962 4.118 1.070 339 H ALA 54 H ALA 54 -4.613 -3.314 6.590 340 HA ALA 54 HA ALA 54 -7.521 -3.505 6.855 341 1HB ALA 54 1HB ALA 54 -5.328 -5.167 8.089 342 2HB ALA 54 2HB ALA 54 -6.318 -5.606 6.697 343 3HB ALA 54 3HB ALA 54 -7.058 -5.446 8.290 344 H LYS 55 H LYS 55 -5.966 -1.156 7.751 345 HA LYS 55 HA LYS 55 -6.231 -1.319 10.660 346 1HB LYS 55 1HB LYS 55 -5.035 0.801 10.718 347 2HB LYS 55 2HB LYS 55 -4.153 -0.368 9.743 348 1HG LYS 55 1HG LYS 55 -5.215 0.692 7.720 349 2HG LYS 55 2HG LYS 55 -5.784 1.971 8.796 350 1HD LYS 55 1HD LYS 55 -3.574 2.629 9.332 351 2HD LYS 55 2HD LYS 55 -2.889 1.175 8.605 352 1HE LYS 55 1HE LYS 55 -3.980 2.052 6.424 353 2HE LYS 55 2HE LYS 55 -4.039 3.597 7.273 354 1HZ LYS 55 1HZ LYS 55 -1.721 3.673 7.428 355 2HZ LYS 55 2HZ LYS 55 -2.014 3.143 5.848 356 3HZ LYS 55 3HZ LYS 55 -1.536 2.037 7.035 357 H ILE 56 H ILE 56 -7.382 0.587 7.902 358 HA ILE 56 HA ILE 56 -9.217 1.903 7.613 359 HB ILE 56 HB ILE 56 -10.366 0.495 10.021 360 1HG1 ILE 56 1HG1 ILE 56 -11.192 -0.531 7.428 361 2HG1 ILE 56 2HG1 ILE 56 -9.458 -0.710 7.674 362 1HG2 ILE 56 1HG2 ILE 56 -11.420 2.300 7.950 363 2HG2 ILE 56 2HG2 ILE 56 -11.969 2.020 9.602 364 3HG2 ILE 56 3HG2 ILE 56 -12.419 0.896 8.321 365 1HD1 ILE 56 1HD1 ILE 56 -11.230 -1.525 9.896 366 2HD1 ILE 56 2HD1 ILE 56 -9.713 -2.227 9.333 367 3HD1 ILE 56 3HD1 ILE 56 -11.210 -2.537 8.453 368 H LYS 57 H LYS 57 -7.982 3.764 8.220 369 HA LYS 57 HA LYS 57 -8.658 4.815 10.888 370 1HB LYS 57 1HB LYS 57 -6.646 6.337 10.484 371 2HB LYS 57 2HB LYS 57 -6.312 4.644 10.819 372 1HG LYS 57 1HG LYS 57 -5.437 4.275 8.783 373 2HG LYS 57 2HG LYS 57 -6.602 5.325 7.974 374 1HD LYS 57 1HD LYS 57 -4.979 6.982 9.587 375 2HD LYS 57 2HD LYS 57 -3.898 5.877 8.737 376 1HE LYS 57 1HE LYS 57 -6.009 7.618 7.466 377 2HE LYS 57 2HE LYS 57 -4.273 7.925 7.456 378 1HZ LYS 57 1HZ LYS 57 -5.171 5.343 6.439 379 2HZ LYS 57 2HZ LYS 57 -3.907 6.333 5.908 380 3HZ LYS 57 3HZ LYS 57 -5.503 6.697 5.481 381 H LYS 58 H LYS 58 -10.696 5.528 9.965 382 HA LYS 58 HA LYS 58 -10.411 7.930 8.281 383 1HB LYS 58 1HB LYS 58 -12.343 5.709 8.270 384 2HB LYS 58 2HB LYS 58 -13.068 7.305 8.137 385 1HG LYS 58 1HG LYS 58 -12.661 6.380 5.944 386 2HG LYS 58 2HG LYS 58 -11.631 7.788 6.211 387 1HD LYS 58 1HD LYS 58 -10.274 6.129 5.187 388 2HD LYS 58 2HD LYS 58 -9.807 6.189 6.888 389 1HE LYS 58 1HE LYS 58 -10.512 4.094 7.282 390 2HE LYS 58 2HE LYS 58 -11.959 4.292 6.293 391 1HZ LYS 58 1HZ LYS 58 -10.624 2.676 5.243 392 2HZ LYS 58 2HZ LYS 58 -9.223 3.613 5.379 393 3HZ LYS 58 3HZ LYS 58 -10.455 4.082 4.319 394 H SER 59 H SER 59 -12.056 6.530 11.073 395 HA SER 59 HA SER 59 -12.527 9.257 12.066 396 1HB SER 59 1HB SER 59 -14.620 8.067 11.136 397 2HB SER 59 2HB SER 59 -14.501 7.038 12.564 398 HG SER 59 HG SER 59 -14.784 9.861 12.515 Start of MODEL 10 1 1H ALA 16 1H ALA 16 -20.934 -6.398 -7.166 2 2H ALA 16 2H ALA 16 -20.982 -7.915 -6.364 3 3H ALA 16 3H ALA 16 -20.017 -7.714 -7.769 4 HA ALA 16 HA ALA 16 -19.598 -6.747 -5.052 5 1HB ALA 16 1HB ALA 16 -17.205 -7.447 -5.915 6 2HB ALA 16 2HB ALA 16 -18.154 -8.384 -7.070 7 3HB ALA 16 3HB ALA 16 -18.363 -8.646 -5.339 8 H LYS 17 H LYS 17 -18.623 -4.852 -4.637 9 HA LYS 17 HA LYS 17 -17.945 -3.154 -6.942 10 1HB LYS 17 1HB LYS 17 -18.323 -1.242 -5.438 11 2HB LYS 17 2HB LYS 17 -19.750 -2.261 -5.576 12 1HG LYS 17 1HG LYS 17 -19.346 -3.229 -3.425 13 2HG LYS 17 2HG LYS 17 -17.786 -2.414 -3.301 14 1HD LYS 17 1HD LYS 17 -19.436 -0.305 -3.732 15 2HD LYS 17 2HD LYS 17 -20.503 -1.387 -2.835 16 1HE LYS 17 1HE LYS 17 -17.768 -0.467 -1.961 17 2HE LYS 17 2HE LYS 17 -19.307 0.120 -1.333 18 1HZ LYS 17 1HZ LYS 17 -17.913 -2.376 -0.798 19 2HZ LYS 17 2HZ LYS 17 -19.596 -2.483 -0.936 20 3HZ LYS 17 3HZ LYS 17 -18.907 -1.449 0.212 21 H ARG 18 H ARG 18 -16.256 -1.433 -6.370 22 HA ARG 18 HA ARG 18 -14.211 -2.383 -4.525 23 1HB ARG 18 1HB ARG 18 -12.463 -2.092 -6.340 24 2HB ARG 18 2HB ARG 18 -13.485 -3.516 -6.471 25 1HG ARG 18 1HG ARG 18 -14.108 -0.984 -7.951 26 2HG ARG 18 2HG ARG 18 -13.007 -2.202 -8.599 27 1HD ARG 18 1HD ARG 18 -15.395 -3.477 -7.669 28 2HD ARG 18 2HD ARG 18 -15.824 -2.145 -8.740 29 HE ARG 18 HE ARG 18 -14.809 -3.249 -10.506 30 1HH1 ARG 18 1HH1 ARG 18 -14.264 -4.983 -7.521 31 2HH1 ARG 18 2HH1 ARG 18 -13.696 -6.412 -8.314 32 1HH2 ARG 18 1HH2 ARG 18 -14.061 -5.130 -11.542 33 2HH2 ARG 18 2HH2 ARG 18 -13.579 -6.497 -10.593 34 H GLU 19 H GLU 19 -13.263 -0.743 -3.492 35 HA GLU 19 HA GLU 19 -13.932 1.969 -4.296 36 1HB GLU 19 1HB GLU 19 -13.153 0.622 -1.812 37 2HB GLU 19 2HB GLU 19 -12.383 2.189 -2.030 38 1HG GLU 19 1HG GLU 19 -14.453 3.306 -2.123 39 2HG GLU 19 2HG GLU 19 -15.344 1.797 -2.314 40 H PHE 20 H PHE 20 -12.662 2.884 -5.764 41 HA PHE 20 HA PHE 20 -10.826 3.456 -6.990 42 1HB PHE 20 1HB PHE 20 -9.030 4.468 -5.703 43 2HB PHE 20 2HB PHE 20 -10.583 4.876 -4.982 44 HD1 PHE 20 HD1 PHE 20 -7.738 2.502 -4.668 45 HD2 PHE 20 HD2 PHE 20 -10.960 4.495 -2.728 46 HE1 PHE 20 HE1 PHE 20 -6.951 1.653 -2.499 47 HE2 PHE 20 HE2 PHE 20 -10.178 3.650 -0.554 48 HZ PHE 20 HZ PHE 20 -8.171 2.227 -0.438 49 H ASN 21 H ASN 21 -8.179 3.119 -6.876 50 HA ASN 21 HA ASN 21 -7.818 0.444 -7.693 51 1HB ASN 21 1HB ASN 21 -5.600 2.331 -6.928 52 2HB ASN 21 2HB ASN 21 -5.550 1.009 -8.090 53 1HD2 ASN 21 1HD2 ASN 21 -6.482 4.283 -7.512 54 2HD2 ASN 21 2HD2 ASN 21 -6.881 4.680 -9.146 55 H GLU 22 H GLU 22 -8.246 -1.048 -6.138 56 HA GLU 22 HA GLU 22 -7.382 -0.887 -3.455 57 1HB GLU 22 1HB GLU 22 -8.828 -2.746 -5.092 58 2HB GLU 22 2HB GLU 22 -7.599 -3.624 -4.190 59 1HG GLU 22 1HG GLU 22 -8.515 -2.281 -2.161 60 2HG GLU 22 2HG GLU 22 -9.933 -2.065 -3.186 61 H ASN 23 H ASN 23 -5.204 -0.255 -3.573 62 HA ASN 23 HA ASN 23 -2.964 -0.611 -3.461 63 1HB ASN 23 1HB ASN 23 -3.426 -3.550 -3.911 64 2HB ASN 23 2HB ASN 23 -2.113 -2.765 -3.040 65 1HD2 ASN 23 1HD2 ASN 23 -2.647 -1.699 -1.024 66 2HD2 ASN 23 2HD2 ASN 23 -3.932 -2.324 -0.052 67 H ARG 24 H ARG 24 -2.551 0.457 -5.336 68 HA ARG 24 HA ARG 24 -1.315 -0.982 -7.427 69 1HB ARG 24 1HB ARG 24 -3.169 -1.503 -8.614 70 2HB ARG 24 2HB ARG 24 -4.174 -0.374 -7.717 71 1HG ARG 24 1HG ARG 24 -3.748 1.365 -9.173 72 2HG ARG 24 2HG ARG 24 -2.256 0.640 -9.772 73 1HD ARG 24 1HD ARG 24 -4.250 -1.207 -10.390 74 2HD ARG 24 2HD ARG 24 -4.961 0.365 -10.751 75 HE ARG 24 HE ARG 24 -2.399 0.324 -11.841 76 1HH1 ARG 24 1HH1 ARG 24 -5.453 -1.306 -12.278 77 2HH1 ARG 24 2HH1 ARG 24 -5.192 -1.610 -13.962 78 1HH2 ARG 24 1HH2 ARG 24 -2.053 -0.075 -14.056 79 2HH2 ARG 24 2HH2 ARG 24 -3.262 -0.912 -14.972 80 H TYR 25 H TYR 25 -3.260 1.987 -7.289 81 HA TYR 25 HA TYR 25 -1.909 3.772 -8.715 82 1HB TYR 25 1HB TYR 25 -2.619 5.519 -7.157 83 2HB TYR 25 2HB TYR 25 -3.883 4.302 -7.327 84 HD1 TYR 25 HD1 TYR 25 -3.599 2.288 -5.542 85 HD2 TYR 25 HD2 TYR 25 -2.222 6.278 -5.013 86 HE1 TYR 25 HE1 TYR 25 -3.602 1.954 -3.117 87 HE2 TYR 25 HE2 TYR 25 -2.232 5.959 -2.574 88 HH TYR 25 HH TYR 25 -3.694 3.238 -1.080 89 H LEU 26 H LEU 26 -0.941 2.818 -5.446 90 HA LEU 26 HA LEU 26 1.713 3.967 -5.973 91 1HB LEU 26 1HB LEU 26 1.783 5.017 -3.981 92 2HB LEU 26 2HB LEU 26 0.042 4.974 -4.143 93 HG LEU 26 HG LEU 26 0.518 4.369 -1.912 94 1HD1 LEU 26 1HD1 LEU 26 0.228 1.588 -2.663 95 2HD1 LEU 26 2HD1 LEU 26 -0.824 2.646 -3.601 96 3HD1 LEU 26 3HD1 LEU 26 -0.899 2.666 -1.841 97 1HD2 LEU 26 1HD2 LEU 26 2.130 1.997 -2.296 98 2HD2 LEU 26 2HD2 LEU 26 2.383 3.377 -1.228 99 3HD2 LEU 26 3HD2 LEU 26 2.934 3.445 -2.902 100 H THR 27 H THR 27 -0.115 1.233 -5.030 101 HA THR 27 HA THR 27 1.676 -0.233 -3.516 102 HB THR 27 HB THR 27 -0.391 -1.110 -5.531 103 HG1 THR 27 HG1 THR 27 -1.007 -0.047 -3.522 104 1HG2 THR 27 1HG2 THR 27 0.628 -3.111 -5.474 105 2HG2 THR 27 2HG2 THR 27 -0.205 -3.239 -3.924 106 3HG2 THR 27 3HG2 THR 27 1.490 -2.755 -3.978 107 H GLU 28 H GLU 28 1.339 -0.119 -7.052 108 HA GLU 28 HA GLU 28 3.351 -1.971 -7.659 109 1HB GLU 28 1HB GLU 28 2.040 0.253 -9.177 110 2HB GLU 28 2HB GLU 28 3.410 -0.597 -9.879 111 1HG GLU 28 1HG GLU 28 1.923 -2.697 -9.147 112 2HG GLU 28 2HG GLU 28 0.647 -1.510 -9.408 113 H ARG 29 H ARG 29 3.519 1.594 -7.635 114 HA ARG 29 HA ARG 29 6.228 1.807 -8.282 115 1HB ARG 29 1HB ARG 29 4.298 3.603 -8.020 116 2HB ARG 29 2HB ARG 29 5.002 3.791 -6.421 117 1HG ARG 29 1HG ARG 29 6.373 5.259 -7.380 118 2HG ARG 29 2HG ARG 29 7.206 3.854 -8.047 119 1HD ARG 29 1HD ARG 29 5.303 4.095 -9.889 120 2HD ARG 29 2HD ARG 29 5.357 5.774 -9.352 121 HE ARG 29 HE ARG 29 7.339 4.382 -10.893 122 1HH1 ARG 29 1HH1 ARG 29 6.786 7.029 -8.685 123 2HH1 ARG 29 2HH1 ARG 29 8.168 7.925 -9.216 124 1HH2 ARG 29 1HH2 ARG 29 9.158 5.560 -11.592 125 2HH2 ARG 29 2HH2 ARG 29 9.516 7.092 -10.867 126 H ARG 30 H ARG 30 4.633 1.524 -5.146 127 HA ARG 30 HA ARG 30 7.104 1.730 -3.684 128 1HB ARG 30 1HB ARG 30 4.243 1.494 -3.032 129 2HB ARG 30 2HB ARG 30 5.329 0.731 -1.880 130 1HG ARG 30 1HG ARG 30 6.104 3.437 -2.710 131 2HG ARG 30 2HG ARG 30 4.594 3.329 -1.806 132 1HD ARG 30 1HD ARG 30 6.009 1.795 -0.223 133 2HD ARG 30 2HD ARG 30 7.370 2.639 -0.961 134 HE ARG 30 HE ARG 30 5.311 4.392 0.013 135 1HH1 ARG 30 1HH1 ARG 30 8.201 2.626 0.855 136 2HH1 ARG 30 2HH1 ARG 30 8.594 3.659 2.189 137 1HH2 ARG 30 1HH2 ARG 30 5.826 5.752 1.765 138 2HH2 ARG 30 2HH2 ARG 30 7.246 5.434 2.706 139 H ARG 31 H ARG 31 5.272 -0.814 -5.125 140 HA ARG 31 HA ARG 31 6.006 -2.993 -3.550 141 1HB ARG 31 1HB ARG 31 4.794 -2.558 -6.119 142 2HB ARG 31 2HB ARG 31 5.967 -3.861 -6.245 143 1HG ARG 31 1HG ARG 31 4.860 -5.161 -4.635 144 2HG ARG 31 2HG ARG 31 3.877 -3.798 -4.094 145 1HD ARG 31 1HD ARG 31 2.347 -4.136 -5.689 146 2HD ARG 31 2HD ARG 31 3.572 -4.365 -6.935 147 HE ARG 31 HE ARG 31 3.665 -6.673 -5.512 148 1HH1 ARG 31 1HH1 ARG 31 1.098 -4.913 -7.091 149 2HH1 ARG 31 2HH1 ARG 31 0.171 -6.333 -7.440 150 1HH2 ARG 31 1HH2 ARG 31 2.446 -8.541 -5.969 151 2HH2 ARG 31 2HH2 ARG 31 0.936 -8.393 -6.803 152 H GLN 32 H GLN 32 7.658 -1.500 -6.292 153 HA GLN 32 HA GLN 32 9.766 -3.367 -6.460 154 1HB GLN 32 1HB GLN 32 9.451 -0.518 -7.368 155 2HB GLN 32 2HB GLN 32 10.973 -1.374 -7.579 156 1HG GLN 32 1HG GLN 32 8.338 -2.379 -8.622 157 2HG GLN 32 2HG GLN 32 9.457 -1.392 -9.561 158 1HE2 GLN 32 1HE2 GLN 32 10.765 -2.478 -10.829 159 2HE2 GLN 32 2HE2 GLN 32 11.306 -4.102 -10.593 160 H GLN 33 H GLN 33 9.425 -0.331 -4.682 161 HA GLN 33 HA GLN 33 12.093 -0.388 -3.652 162 1HB GLN 33 1HB GLN 33 9.651 1.246 -2.998 163 2HB GLN 33 2HB GLN 33 11.149 1.410 -2.092 164 1HG GLN 33 1HG GLN 33 12.156 2.563 -3.721 165 2HG GLN 33 2HG GLN 33 11.472 1.556 -4.996 166 1HE2 GLN 33 1HE2 GLN 33 11.146 3.513 -6.178 167 2HE2 GLN 33 2HE2 GLN 33 9.782 4.518 -5.841 168 H LEU 34 H LEU 34 8.897 -1.194 -2.321 169 HA LEU 34 HA LEU 34 9.791 -1.766 0.286 170 1HB LEU 34 1HB LEU 34 7.344 -2.225 -1.282 171 2HB LEU 34 2HB LEU 34 7.605 -3.355 0.034 172 HG LEU 34 HG LEU 34 7.779 -0.402 0.522 173 1HD1 LEU 34 1HD1 LEU 34 5.268 -2.066 0.487 174 2HD1 LEU 34 2HD1 LEU 34 5.651 -0.709 -0.573 175 3HD1 LEU 34 3HD1 LEU 34 5.402 -0.438 1.152 176 1HD2 LEU 34 1HD2 LEU 34 7.163 -1.048 2.776 177 2HD2 LEU 34 2HD2 LEU 34 8.572 -1.965 2.242 178 3HD2 LEU 34 3HD2 LEU 34 6.982 -2.727 2.267 179 H SER 35 H SER 35 9.427 -3.804 -2.573 180 HA SER 35 HA SER 35 9.980 -6.255 -1.290 181 1HB SER 35 1HB SER 35 8.940 -6.197 -3.490 182 2HB SER 35 2HB SER 35 10.373 -5.434 -4.178 183 HG SER 35 HG SER 35 11.210 -7.338 -4.391 184 H SER 36 H SER 36 12.056 -3.944 -3.002 185 HA SER 36 HA SER 36 14.443 -5.446 -2.733 186 1HB SER 36 1HB SER 36 13.935 -3.515 -4.356 187 2HB SER 36 2HB SER 36 14.355 -2.450 -3.015 188 HG SER 36 HG SER 36 16.214 -2.795 -4.151 189 H GLU 37 H GLU 37 13.129 -2.714 -0.868 190 HA GLU 37 HA GLU 37 15.311 -2.472 0.893 191 1HB GLU 37 1HB GLU 37 12.870 -1.159 0.484 192 2HB GLU 37 2HB GLU 37 12.812 -1.728 2.145 193 1HG GLU 37 1HG GLU 37 14.518 -0.380 2.816 194 2HG GLU 37 2HG GLU 37 15.286 -0.374 1.228 195 H LEU 38 H LEU 38 12.243 -4.231 1.209 196 HA LEU 38 HA LEU 38 13.028 -5.288 3.787 197 1HB LEU 38 1HB LEU 38 10.607 -5.640 2.043 198 2HB LEU 38 2HB LEU 38 10.850 -6.605 3.487 199 HG LEU 38 HG LEU 38 10.991 -3.636 3.725 200 1HD1 LEU 38 1HD1 LEU 38 8.383 -5.135 3.736 201 2HD1 LEU 38 2HD1 LEU 38 8.961 -4.192 2.362 202 3HD1 LEU 38 3HD1 LEU 38 8.635 -3.398 3.904 203 1HD2 LEU 38 1HD2 LEU 38 11.523 -5.077 5.634 204 2HD2 LEU 38 2HD2 LEU 38 9.925 -5.814 5.518 205 3HD2 LEU 38 3HD2 LEU 38 10.081 -4.106 5.931 206 H GLY 39 H GLY 39 13.282 -6.232 0.488 207 1HA GLY 39 1HA GLY 39 14.322 -8.049 -0.462 208 2HA GLY 39 2HA GLY 39 14.840 -8.517 1.150 209 H LEU 40 H LEU 40 11.479 -8.048 0.346 210 HA LEU 40 HA LEU 40 11.065 -10.939 0.691 211 1HB LEU 40 1HB LEU 40 8.607 -10.039 1.069 212 2HB LEU 40 2HB LEU 40 9.784 -10.086 2.367 213 HG LEU 40 HG LEU 40 10.298 -7.657 1.803 214 1HD1 LEU 40 1HD1 LEU 40 9.135 -7.846 -0.450 215 2HD1 LEU 40 2HD1 LEU 40 8.784 -6.410 0.512 216 3HD1 LEU 40 3HD1 LEU 40 7.620 -7.734 0.448 217 1HD2 LEU 40 1HD2 LEU 40 7.481 -7.710 2.639 218 2HD2 LEU 40 2HD2 LEU 40 8.898 -7.045 3.453 219 3HD2 LEU 40 3HD2 LEU 40 8.558 -8.773 3.545 220 H ASN 41 H ASN 41 9.213 -11.864 -0.487 221 HA ASN 41 HA ASN 41 9.299 -11.007 -3.257 222 1HB ASN 41 1HB ASN 41 9.273 -13.474 -2.128 223 2HB ASN 41 2HB ASN 41 7.562 -13.277 -2.496 224 1HD2 ASN 41 1HD2 ASN 41 7.032 -12.653 -4.721 225 2HD2 ASN 41 2HD2 ASN 41 8.007 -13.277 -6.004 226 H GLU 42 H GLU 42 7.372 -10.718 -4.532 227 HA GLU 42 HA GLU 42 5.555 -8.893 -3.508 228 1HB GLU 42 1HB GLU 42 5.072 -10.808 -5.800 229 2HB GLU 42 2HB GLU 42 4.258 -9.271 -5.537 230 1HG GLU 42 1HG GLU 42 5.771 -8.441 -6.944 231 2HG GLU 42 2HG GLU 42 6.878 -8.519 -5.575 232 H ALA 43 H ALA 43 5.488 -12.379 -3.483 233 HA ALA 43 HA ALA 43 2.770 -12.824 -2.962 234 1HB ALA 43 1HB ALA 43 3.355 -14.991 -2.386 235 2HB ALA 43 2HB ALA 43 4.878 -14.494 -1.650 236 3HB ALA 43 3HB ALA 43 4.710 -14.508 -3.406 237 H GLN 44 H GLN 44 5.445 -11.930 -0.894 238 HA GLN 44 HA GLN 44 3.936 -12.071 1.560 239 1HB GLN 44 1HB GLN 44 6.654 -11.064 0.773 240 2HB GLN 44 2HB GLN 44 5.998 -10.702 2.363 241 1HG GLN 44 1HG GLN 44 6.383 -13.472 1.247 242 2HG GLN 44 2HG GLN 44 7.490 -12.659 2.354 243 1HE2 GLN 44 1HE2 GLN 44 5.852 -11.504 4.148 244 2HE2 GLN 44 2HE2 GLN 44 4.939 -12.697 5.000 245 H ILE 45 H ILE 45 4.681 -9.792 -0.913 246 HA ILE 45 HA ILE 45 4.097 -7.390 0.430 247 HB ILE 45 HB ILE 45 4.042 -8.115 -2.497 248 1HG1 ILE 45 1HG1 ILE 45 6.224 -8.126 -1.216 249 2HG1 ILE 45 2HG1 ILE 45 6.174 -7.050 -2.609 250 1HG2 ILE 45 1HG2 ILE 45 3.848 -5.356 -1.319 251 2HG2 ILE 45 2HG2 ILE 45 2.513 -6.228 -2.067 252 3HG2 ILE 45 3HG2 ILE 45 3.915 -5.766 -3.029 253 1HD1 ILE 45 1HD1 ILE 45 7.258 -5.897 -0.859 254 2HD1 ILE 45 2HD1 ILE 45 5.985 -6.306 0.291 255 3HD1 ILE 45 3HD1 ILE 45 5.655 -5.182 -1.026 256 H LYS 46 H LYS 46 2.067 -9.650 -1.408 257 HA LYS 46 HA LYS 46 -0.258 -8.110 -1.562 258 1HB LYS 46 1HB LYS 46 0.447 -10.652 -2.316 259 2HB LYS 46 2HB LYS 46 -0.703 -10.968 -1.023 260 1HG LYS 46 1HG LYS 46 -2.034 -9.081 -2.435 261 2HG LYS 46 2HG LYS 46 -1.133 -9.892 -3.718 262 1HD LYS 46 1HD LYS 46 -2.033 -12.046 -2.998 263 2HD LYS 46 2HD LYS 46 -2.916 -11.247 -1.695 264 1HE LYS 46 1HE LYS 46 -4.260 -10.035 -3.276 265 2HE LYS 46 2HE LYS 46 -3.296 -10.640 -4.623 266 1HZ LYS 46 1HZ LYS 46 -5.403 -11.951 -3.116 267 2HZ LYS 46 2HZ LYS 46 -4.077 -12.924 -3.512 268 3HZ LYS 46 3HZ LYS 46 -4.945 -12.144 -4.734 269 H ILE 47 H ILE 47 0.808 -10.394 0.913 270 HA ILE 47 HA ILE 47 -1.387 -9.978 2.686 271 HB ILE 47 HB ILE 47 1.242 -11.341 2.781 272 1HG1 ILE 47 1HG1 ILE 47 -1.173 -12.361 4.178 273 2HG1 ILE 47 2HG1 ILE 47 -1.282 -12.189 2.429 274 1HG2 ILE 47 1HG2 ILE 47 1.550 -10.095 4.773 275 2HG2 ILE 47 2HG2 ILE 47 1.021 -11.706 5.263 276 3HG2 ILE 47 3HG2 ILE 47 -0.120 -10.362 5.280 277 1HD1 ILE 47 1HD1 ILE 47 1.177 -13.455 3.011 278 2HD1 ILE 47 2HD1 ILE 47 -0.236 -14.116 2.189 279 3HD1 ILE 47 3HD1 ILE 47 -0.086 -14.264 3.940 280 H TRP 48 H TRP 48 1.823 -8.678 2.336 281 HA TRP 48 HA TRP 48 2.067 -7.165 4.653 282 1HB TRP 48 1HB TRP 48 3.886 -7.676 3.080 283 2HB TRP 48 2HB TRP 48 3.122 -6.675 1.860 284 HD1 TRP 48 HD1 TRP 48 5.675 -6.569 4.511 285 HE1 TRP 48 HE1 TRP 48 6.509 -4.162 4.821 286 HE3 TRP 48 HE3 TRP 48 2.066 -4.067 1.916 287 HZ2 TRP 48 HZ2 TRP 48 5.761 -1.562 4.096 288 HZ3 TRP 48 HZ3 TRP 48 2.195 -1.622 1.772 289 HH2 TRP 48 HH2 TRP 48 4.012 -0.400 2.832 290 H PHE 49 H PHE 49 0.891 -6.209 1.451 291 HA PHE 49 HA PHE 49 0.183 -3.584 2.283 292 1HB PHE 49 1HB PHE 49 -0.206 -5.182 -0.196 293 2HB PHE 49 2HB PHE 49 -1.227 -3.759 0.046 294 HD1 PHE 49 HD1 PHE 49 2.187 -4.961 -0.386 295 HD2 PHE 49 HD2 PHE 49 -0.300 -1.552 0.076 296 HE1 PHE 49 HE1 PHE 49 4.082 -3.515 -0.996 297 HE2 PHE 49 HE2 PHE 49 1.595 -0.085 -0.528 298 HZ PHE 49 HZ PHE 49 3.796 -1.082 -1.043 299 H GLN 50 H GLN 50 -1.637 -6.565 1.863 300 HA GLN 50 HA GLN 50 -4.148 -5.416 2.419 301 1HB GLN 50 1HB GLN 50 -3.109 -8.241 2.542 302 2HB GLN 50 2HB GLN 50 -4.761 -7.849 2.999 303 1HG GLN 50 1HG GLN 50 -4.501 -6.622 0.560 304 2HG GLN 50 2HG GLN 50 -3.553 -8.096 0.364 305 1HE2 GLN 50 1HE2 GLN 50 -4.606 -10.124 0.847 306 2HE2 GLN 50 2HE2 GLN 50 -6.309 -10.279 0.601 307 H ASN 51 H ASN 51 -1.554 -6.633 4.426 308 HA ASN 51 HA ASN 51 -3.090 -6.760 6.839 309 1HB ASN 51 1HB ASN 51 -1.005 -8.072 6.461 310 2HB ASN 51 2HB ASN 51 -0.087 -6.570 6.516 311 1HD2 ASN 51 1HD2 ASN 51 -0.031 -8.971 8.230 312 2HD2 ASN 51 2HD2 ASN 51 -0.275 -8.390 9.839 313 H LYS 52 H LYS 52 -0.953 -4.380 5.347 314 HA LYS 52 HA LYS 52 -0.880 -2.575 7.515 315 1HB LYS 52 1HB LYS 52 0.426 -2.735 5.155 316 2HB LYS 52 2HB LYS 52 -0.726 -1.460 4.778 317 1HG LYS 52 1HG LYS 52 0.091 -0.092 6.547 318 2HG LYS 52 2HG LYS 52 1.084 -1.407 7.180 319 1HD LYS 52 1HD LYS 52 2.223 -1.371 4.869 320 2HD LYS 52 2HD LYS 52 1.469 0.214 4.685 321 1HE LYS 52 1HE LYS 52 2.866 -0.212 7.235 322 2HE LYS 52 2HE LYS 52 3.903 -0.218 5.809 323 1HZ LYS 52 1HZ LYS 52 3.872 1.989 6.113 324 2HZ LYS 52 2HZ LYS 52 2.449 1.968 7.028 325 3HZ LYS 52 3HZ LYS 52 2.368 1.921 5.339 326 H ARG 53 H ARG 53 -3.117 -3.019 4.849 327 HA ARG 53 HA ARG 53 -4.543 -0.600 5.145 328 1HB ARG 53 1HB ARG 53 -4.570 -2.452 3.258 329 2HB ARG 53 2HB ARG 53 -5.915 -3.079 4.201 330 1HG ARG 53 1HG ARG 53 -6.801 -0.637 4.062 331 2HG ARG 53 2HG ARG 53 -5.694 -0.517 2.693 332 1HD ARG 53 1HD ARG 53 -6.788 -2.604 1.785 333 2HD ARG 53 2HD ARG 53 -8.010 -2.407 3.041 334 HE ARG 53 HE ARG 53 -7.782 -0.918 0.611 335 1HH1 ARG 53 1HH1 ARG 53 -8.877 -0.762 3.921 336 2HH1 ARG 53 2HH1 ARG 53 -10.046 0.476 3.607 337 1HH2 ARG 53 1HH2 ARG 53 -9.319 0.711 0.196 338 2HH2 ARG 53 2HH2 ARG 53 -10.297 1.313 1.493 339 H ALA 54 H ALA 54 -4.662 -3.638 6.838 340 HA ALA 54 HA ALA 54 -7.211 -3.545 7.948 341 1HB ALA 54 1HB ALA 54 -5.063 -4.506 9.724 342 2HB ALA 54 2HB ALA 54 -5.143 -5.260 8.132 343 3HB ALA 54 3HB ALA 54 -6.547 -5.302 9.199 344 H LYS 55 H LYS 55 -4.321 -1.772 8.781 345 HA LYS 55 HA LYS 55 -5.293 -0.829 11.307 346 1HB LYS 55 1HB LYS 55 -2.827 -0.961 10.192 347 2HB LYS 55 2HB LYS 55 -3.207 0.733 9.912 348 1HG LYS 55 1HG LYS 55 -3.869 0.692 12.443 349 2HG LYS 55 2HG LYS 55 -2.817 -0.724 12.478 350 1HD LYS 55 1HD LYS 55 -1.219 0.829 12.867 351 2HD LYS 55 2HD LYS 55 -1.249 0.977 11.109 352 1HE LYS 55 1HE LYS 55 -3.287 2.626 12.306 353 2HE LYS 55 2HE LYS 55 -1.707 2.990 12.998 354 1HZ LYS 55 1HZ LYS 55 -2.498 3.092 10.145 355 2HZ LYS 55 2HZ LYS 55 -0.886 3.154 10.651 356 3HZ LYS 55 3HZ LYS 55 -1.966 4.368 11.120 357 H ILE 56 H ILE 56 -5.614 0.163 8.008 358 HA ILE 56 HA ILE 56 -6.871 1.790 7.027 359 HB ILE 56 HB ILE 56 -7.857 2.523 9.783 360 1HG1 ILE 56 1HG1 ILE 56 -9.210 0.607 7.888 361 2HG1 ILE 56 2HG1 ILE 56 -8.085 0.050 9.123 362 1HG2 ILE 56 1HG2 ILE 56 -8.240 3.850 7.478 363 2HG2 ILE 56 2HG2 ILE 56 -9.428 3.795 8.779 364 3HG2 ILE 56 3HG2 ILE 56 -9.582 2.709 7.399 365 1HD1 ILE 56 1HD1 ILE 56 -10.585 0.008 9.646 366 2HD1 ILE 56 2HD1 ILE 56 -10.438 1.756 9.830 367 3HD1 ILE 56 3HD1 ILE 56 -9.495 0.678 10.859 368 H LYS 57 H LYS 57 -5.440 3.225 6.249 369 HA LYS 57 HA LYS 57 -4.994 5.656 7.745 370 1HB LYS 57 1HB LYS 57 -3.072 3.688 7.977 371 2HB LYS 57 2HB LYS 57 -2.443 4.696 6.681 372 1HG LYS 57 1HG LYS 57 -3.068 6.627 8.388 373 2HG LYS 57 2HG LYS 57 -2.843 5.318 9.550 374 1HD LYS 57 1HD LYS 57 -0.623 4.872 8.420 375 2HD LYS 57 2HD LYS 57 -0.854 6.398 7.565 376 1HE LYS 57 1HE LYS 57 -1.041 6.257 10.553 377 2HE LYS 57 2HE LYS 57 0.522 6.392 9.747 378 1HZ LYS 57 1HZ LYS 57 -0.288 8.563 10.336 379 2HZ LYS 57 2HZ LYS 57 -1.745 8.297 9.520 380 3HZ LYS 57 3HZ LYS 57 -0.299 8.412 8.650 381 H LYS 58 H LYS 58 -5.796 6.991 6.239 382 HA LYS 58 HA LYS 58 -5.336 6.573 3.428 383 1HB LYS 58 1HB LYS 58 -7.187 8.027 5.018 384 2HB LYS 58 2HB LYS 58 -6.381 9.182 3.965 385 1HG LYS 58 1HG LYS 58 -7.550 8.506 2.210 386 2HG LYS 58 2HG LYS 58 -7.120 6.819 2.498 387 1HD LYS 58 1HD LYS 58 -8.934 7.230 4.471 388 2HD LYS 58 2HD LYS 58 -9.558 8.302 3.215 389 1HE LYS 58 1HE LYS 58 -9.565 6.447 1.628 390 2HE LYS 58 2HE LYS 58 -8.919 5.374 2.869 391 1HZ LYS 58 1HZ LYS 58 -11.411 6.822 3.416 392 2HZ LYS 58 2HZ LYS 58 -10.901 5.311 3.978 393 3HZ LYS 58 3HZ LYS 58 -11.466 5.476 2.393 394 H SER 59 H SER 59 -3.554 7.174 2.408 395 HA SER 59 HA SER 59 -2.274 9.704 3.134 396 1HB SER 59 1HB SER 59 -0.889 8.212 4.335 397 2HB SER 59 2HB SER 59 -0.929 7.008 3.048 398 HG SER 59 HG SER 59 0.413 9.502 3.064 Start of MODEL 11 1 1H ALA 16 1H ALA 16 -17.907 15.143 -0.635 2 2H ALA 16 2H ALA 16 -18.004 15.755 -2.236 3 3H ALA 16 3H ALA 16 -19.165 16.226 -1.063 4 HA ALA 16 HA ALA 16 -17.351 17.834 -1.636 5 1HB ALA 16 1HB ALA 16 -18.333 17.010 1.039 6 2HB ALA 16 2HB ALA 16 -18.570 18.520 0.158 7 3HB ALA 16 3HB ALA 16 -17.037 18.204 0.970 8 H LYS 17 H LYS 17 -16.123 15.133 -1.899 9 HA LYS 17 HA LYS 17 -13.648 15.555 -0.369 10 1HB LYS 17 1HB LYS 17 -13.146 13.176 -1.006 11 2HB LYS 17 2HB LYS 17 -14.546 13.380 0.039 12 1HG LYS 17 1HG LYS 17 -16.045 13.053 -1.794 13 2HG LYS 17 2HG LYS 17 -14.711 13.067 -2.949 14 1HD LYS 17 1HD LYS 17 -14.997 10.812 -2.736 15 2HD LYS 17 2HD LYS 17 -13.851 11.081 -1.421 16 1HE LYS 17 1HE LYS 17 -15.326 10.371 0.083 17 2HE LYS 17 2HE LYS 17 -16.536 11.515 -0.496 18 1HZ LYS 17 1HZ LYS 17 -17.618 9.627 -1.015 19 2HZ LYS 17 2HZ LYS 17 -16.211 8.693 -1.105 20 3HZ LYS 17 3HZ LYS 17 -16.656 9.677 -2.407 21 H ARG 18 H ARG 18 -11.744 14.392 -1.731 22 HA ARG 18 HA ARG 18 -11.773 15.654 -4.394 23 1HB ARG 18 1HB ARG 18 -10.177 16.388 -2.288 24 2HB ARG 18 2HB ARG 18 -9.139 15.264 -3.152 25 1HG ARG 18 1HG ARG 18 -10.093 16.794 -5.190 26 2HG ARG 18 2HG ARG 18 -10.007 17.964 -3.871 27 1HD ARG 18 1HD ARG 18 -7.795 16.296 -5.038 28 2HD ARG 18 2HD ARG 18 -7.911 18.053 -4.952 29 HE ARG 18 HE ARG 18 -7.923 17.276 -2.350 30 1HH1 ARG 18 1HH1 ARG 18 -5.793 16.664 -5.046 31 2HH1 ARG 18 2HH1 ARG 18 -4.382 16.499 -4.055 32 1HH2 ARG 18 1HH2 ARG 18 -6.070 17.061 -1.045 33 2HH2 ARG 18 2HH2 ARG 18 -4.540 16.725 -1.783 34 H GLU 19 H GLU 19 -10.050 14.695 -5.865 35 HA GLU 19 HA GLU 19 -10.459 11.847 -5.955 36 1HB GLU 19 1HB GLU 19 -9.238 13.889 -7.757 37 2HB GLU 19 2HB GLU 19 -8.815 12.200 -8.000 38 1HG GLU 19 1HG GLU 19 -10.670 11.922 -9.161 39 2HG GLU 19 2HG GLU 19 -11.614 12.301 -7.721 40 H PHE 20 H PHE 20 -8.476 10.472 -6.610 41 HA PHE 20 HA PHE 20 -5.945 11.185 -5.504 42 1HB PHE 20 1HB PHE 20 -6.003 9.303 -3.771 43 2HB PHE 20 2HB PHE 20 -6.871 10.780 -3.371 44 HD1 PHE 20 HD1 PHE 20 -7.524 7.536 -5.104 45 HD2 PHE 20 HD2 PHE 20 -8.941 10.535 -2.435 46 HE1 PHE 20 HE1 PHE 20 -9.573 6.225 -4.717 47 HE2 PHE 20 HE2 PHE 20 -10.989 9.229 -2.045 48 HZ PHE 20 HZ PHE 20 -11.307 7.071 -3.187 49 H ASN 21 H ASN 21 -4.712 8.863 -5.141 50 HA ASN 21 HA ASN 21 -5.019 7.540 -7.737 51 1HB ASN 21 1HB ASN 21 -2.716 7.665 -5.790 52 2HB ASN 21 2HB ASN 21 -2.720 6.649 -7.225 53 1HD2 ASN 21 1HD2 ASN 21 -2.846 9.954 -6.074 54 2HD2 ASN 21 2HD2 ASN 21 -2.259 10.682 -7.527 55 H GLU 22 H GLU 22 -6.408 5.878 -7.578 56 HA GLU 22 HA GLU 22 -6.788 4.307 -5.258 57 1HB GLU 22 1HB GLU 22 -7.842 4.414 -7.950 58 2HB GLU 22 2HB GLU 22 -7.567 2.748 -7.460 59 1HG GLU 22 1HG GLU 22 -9.033 2.922 -5.643 60 2HG GLU 22 2HG GLU 22 -9.048 4.683 -5.719 61 H ASN 23 H ASN 23 -4.600 3.809 -4.688 62 HA ASN 23 HA ASN 23 -2.798 2.443 -4.518 63 1HB ASN 23 1HB ASN 23 -4.245 0.491 -6.280 64 2HB ASN 23 2HB ASN 23 -3.046 0.160 -5.037 65 1HD2 ASN 23 1HD2 ASN 23 -3.717 0.967 -2.808 66 2HD2 ASN 23 2HD2 ASN 23 -5.345 0.631 -2.338 67 H ARG 24 H ARG 24 -1.812 4.068 -5.858 68 HA ARG 24 HA ARG 24 -0.457 2.897 -8.120 69 1HB ARG 24 1HB ARG 24 -2.015 5.469 -8.492 70 2HB ARG 24 2HB ARG 24 -0.997 4.686 -9.691 71 1HG ARG 24 1HG ARG 24 -3.451 3.404 -8.524 72 2HG ARG 24 2HG ARG 24 -3.465 4.387 -9.985 73 1HD ARG 24 1HD ARG 24 -1.950 2.870 -11.081 74 2HD ARG 24 2HD ARG 24 -1.760 1.930 -9.601 75 HE ARG 24 HE ARG 24 -4.401 1.774 -10.017 76 1HH1 ARG 24 1HH1 ARG 24 -1.694 1.261 -12.164 77 2HH1 ARG 24 2HH1 ARG 24 -2.534 0.109 -13.146 78 1HH2 ARG 24 1HH2 ARG 24 -5.502 0.258 -11.308 79 2HH2 ARG 24 2HH2 ARG 24 -4.693 -0.462 -12.660 80 H TYR 25 H TYR 25 -1.114 5.977 -6.510 81 HA TYR 25 HA TYR 25 1.198 7.346 -6.929 82 1HB TYR 25 1HB TYR 25 0.703 8.593 -4.905 83 2HB TYR 25 2HB TYR 25 -0.799 8.220 -5.744 84 HD1 TYR 25 HD1 TYR 25 -1.859 5.857 -4.947 85 HD2 TYR 25 HD2 TYR 25 0.695 8.338 -2.616 86 HE1 TYR 25 HE1 TYR 25 -2.732 4.818 -2.905 87 HE2 TYR 25 HE2 TYR 25 -0.178 7.309 -0.561 88 HH TYR 25 HH TYR 25 -2.301 4.534 -0.645 89 H LEU 26 H LEU 26 0.617 5.027 -4.295 90 HA LEU 26 HA LEU 26 3.530 4.890 -3.911 91 1HB LEU 26 1HB LEU 26 3.357 5.072 -1.673 92 2HB LEU 26 2HB LEU 26 1.878 5.913 -2.079 93 HG LEU 26 HG LEU 26 1.354 4.475 -0.282 94 1HD1 LEU 26 1HD1 LEU 26 0.286 2.563 -2.166 95 2HD1 LEU 26 2HD1 LEU 26 0.081 4.221 -2.727 96 3HD1 LEU 26 3HD1 LEU 26 -0.547 3.742 -1.153 97 1HD2 LEU 26 1HD2 LEU 26 1.983 1.886 -1.414 98 2HD2 LEU 26 2HD2 LEU 26 2.389 2.561 0.165 99 3HD2 LEU 26 3HD2 LEU 26 3.421 2.889 -1.226 100 H THR 27 H THR 27 0.612 3.164 -4.456 101 HA THR 27 HA THR 27 1.193 0.663 -3.451 102 HB THR 27 HB THR 27 -0.371 1.565 -5.851 103 HG1 THR 27 HG1 THR 27 -0.993 0.531 -3.296 104 1HG2 THR 27 1HG2 THR 27 -0.266 -0.477 -6.729 105 2HG2 THR 27 2HG2 THR 27 -1.291 -0.960 -5.377 106 3HG2 THR 27 3HG2 THR 27 0.457 -1.168 -5.276 107 H GLU 28 H GLU 28 1.280 0.952 -6.957 108 HA GLU 28 HA GLU 28 3.161 -1.033 -7.365 109 1HB GLU 28 1HB GLU 28 2.636 1.344 -9.151 110 2HB GLU 28 2HB GLU 28 3.347 -0.188 -9.641 111 1HG GLU 28 1HG GLU 28 1.238 -1.319 -9.034 112 2HG GLU 28 2HG GLU 28 0.537 0.255 -8.658 113 H ARG 29 H ARG 29 3.666 2.402 -6.804 114 HA ARG 29 HA ARG 29 6.384 2.462 -7.594 115 1HB ARG 29 1HB ARG 29 4.783 4.429 -7.263 116 2HB ARG 29 2HB ARG 29 5.150 4.294 -5.549 117 1HG ARG 29 1HG ARG 29 7.174 5.226 -5.778 118 2HG ARG 29 2HG ARG 29 7.502 4.387 -7.296 119 1HD ARG 29 1HD ARG 29 5.402 6.426 -7.463 120 2HD ARG 29 2HD ARG 29 6.996 7.057 -7.054 121 HE ARG 29 HE ARG 29 6.157 5.952 -9.573 122 1HH1 ARG 29 1HH1 ARG 29 8.890 6.623 -7.509 123 2HH1 ARG 29 2HH1 ARG 29 10.026 6.659 -8.814 124 1HH2 ARG 29 1HH2 ARG 29 7.651 6.000 -11.292 125 2HH2 ARG 29 2HH2 ARG 29 9.324 6.307 -10.962 126 H ARG 30 H ARG 30 4.870 2.204 -4.378 127 HA ARG 30 HA ARG 30 7.425 1.845 -3.095 128 1HB ARG 30 1HB ARG 30 5.178 2.868 -2.158 129 2HB ARG 30 2HB ARG 30 4.860 1.196 -1.715 130 1HG ARG 30 1HG ARG 30 6.452 1.171 -0.108 131 2HG ARG 30 2HG ARG 30 7.510 2.280 -0.982 132 1HD ARG 30 1HD ARG 30 5.361 3.869 -0.415 133 2HD ARG 30 2HD ARG 30 5.429 2.826 1.005 134 HE ARG 30 HE ARG 30 7.967 3.962 0.259 135 1HH1 ARG 30 1HH1 ARG 30 5.039 4.433 2.102 136 2HH1 ARG 30 2HH1 ARG 30 5.766 5.552 3.206 137 1HH2 ARG 30 1HH2 ARG 30 8.923 5.434 1.709 138 2HH2 ARG 30 2HH2 ARG 30 7.971 6.120 2.983 139 H ARG 31 H ARG 31 4.930 -0.215 -4.368 140 HA ARG 31 HA ARG 31 5.458 -2.562 -2.943 141 1HB ARG 31 1HB ARG 31 3.556 -2.025 -4.612 142 2HB ARG 31 2HB ARG 31 4.679 -2.583 -5.845 143 1HG ARG 31 1HG ARG 31 4.556 -4.751 -5.173 144 2HG ARG 31 2HG ARG 31 4.230 -4.325 -3.493 145 1HD ARG 31 1HD ARG 31 2.084 -4.758 -3.872 146 2HD ARG 31 2HD ARG 31 2.044 -3.356 -4.939 147 HE ARG 31 HE ARG 31 2.109 -6.140 -5.711 148 1HH1 ARG 31 1HH1 ARG 31 2.617 -2.839 -6.728 149 2HH1 ARG 31 2HH1 ARG 31 2.401 -3.195 -8.408 150 1HH2 ARG 31 1HH2 ARG 31 1.826 -6.606 -7.920 151 2HH2 ARG 31 2HH2 ARG 31 1.953 -5.332 -9.086 152 H GLN 32 H GLN 32 6.930 -1.274 -5.882 153 HA GLN 32 HA GLN 32 8.589 -3.550 -6.336 154 1HB GLN 32 1HB GLN 32 7.844 -1.681 -7.988 155 2HB GLN 32 2HB GLN 32 9.232 -0.804 -7.360 156 1HG GLN 32 1HG GLN 32 9.926 -3.515 -8.080 157 2HG GLN 32 2HG GLN 32 9.215 -2.638 -9.435 158 1HE2 GLN 32 1HE2 GLN 32 10.318 -0.960 -10.357 159 2HE2 GLN 32 2HE2 GLN 32 11.953 -0.565 -9.961 160 H GLN 33 H GLN 33 9.011 -0.466 -4.690 161 HA GLN 33 HA GLN 33 11.811 -0.832 -4.220 162 1HB GLN 33 1HB GLN 33 10.434 1.369 -4.292 163 2HB GLN 33 2HB GLN 33 10.061 1.002 -2.613 164 1HG GLN 33 1HG GLN 33 12.898 0.790 -3.207 165 2HG GLN 33 2HG GLN 33 12.245 2.396 -3.530 166 1HE2 GLN 33 1HE2 GLN 33 10.665 3.108 -1.706 167 2HE2 GLN 33 2HE2 GLN 33 11.280 2.921 -0.103 168 H LEU 34 H LEU 34 8.863 -1.497 -2.430 169 HA LEU 34 HA LEU 34 10.049 -1.993 0.075 170 1HB LEU 34 1HB LEU 34 7.449 -2.453 -1.190 171 2HB LEU 34 2HB LEU 34 7.858 -3.640 0.035 172 HG LEU 34 HG LEU 34 8.231 -0.785 0.755 173 1HD1 LEU 34 1HD1 LEU 34 5.884 -0.509 1.321 174 2HD1 LEU 34 2HD1 LEU 34 5.513 -2.077 0.603 175 3HD1 LEU 34 3HD1 LEU 34 6.086 -0.755 -0.413 176 1HD2 LEU 34 1HD2 LEU 34 8.741 -2.725 2.253 177 2HD2 LEU 34 2HD2 LEU 34 7.014 -3.083 2.275 178 3HD2 LEU 34 3HD2 LEU 34 7.605 -1.553 2.923 179 H SER 35 H SER 35 9.404 -4.089 -2.686 180 HA SER 35 HA SER 35 10.065 -6.532 -1.492 181 1HB SER 35 1HB SER 35 9.161 -5.822 -3.941 182 2HB SER 35 2HB SER 35 10.845 -6.176 -4.328 183 HG SER 35 HG SER 35 8.872 -7.883 -3.263 184 H SER 36 H SER 36 12.107 -4.354 -3.442 185 HA SER 36 HA SER 36 14.489 -5.834 -3.033 186 1HB SER 36 1HB SER 36 15.476 -3.451 -3.709 187 2HB SER 36 2HB SER 36 14.700 -4.508 -4.890 188 HG SER 36 HG SER 36 13.329 -2.495 -3.438 189 H GLU 37 H GLU 37 13.056 -3.067 -1.372 190 HA GLU 37 HA GLU 37 15.300 -2.480 0.251 191 1HB GLU 37 1HB GLU 37 13.273 -1.000 -0.255 192 2HB GLU 37 2HB GLU 37 12.443 -1.902 1.005 193 1HG GLU 37 1HG GLU 37 14.570 -1.250 2.406 194 2HG GLU 37 2HG GLU 37 14.675 0.046 1.217 195 H LEU 38 H LEU 38 12.322 -4.320 0.917 196 HA LEU 38 HA LEU 38 13.326 -5.122 3.512 197 1HB LEU 38 1HB LEU 38 10.778 -5.501 2.009 198 2HB LEU 38 2HB LEU 38 11.151 -6.602 3.321 199 HG LEU 38 HG LEU 38 11.235 -4.775 4.904 200 1HD1 LEU 38 1HD1 LEU 38 10.331 -2.510 3.848 201 2HD1 LEU 38 2HD1 LEU 38 11.187 -3.137 2.439 202 3HD1 LEU 38 3HD1 LEU 38 12.051 -2.885 3.955 203 1HD2 LEU 38 1HD2 LEU 38 8.826 -3.823 4.363 204 2HD2 LEU 38 2HD2 LEU 38 9.071 -5.494 4.877 205 3HD2 LEU 38 3HD2 LEU 38 8.850 -5.119 3.168 206 H GLY 39 H GLY 39 13.385 -6.330 0.298 207 1HA GLY 39 1HA GLY 39 14.451 -8.181 -0.561 208 2HA GLY 39 2HA GLY 39 15.017 -8.544 1.062 209 H LEU 40 H LEU 40 11.627 -8.155 0.336 210 HA LEU 40 HA LEU 40 11.252 -11.021 0.880 211 1HB LEU 40 1HB LEU 40 8.783 -10.110 1.205 212 2HB LEU 40 2HB LEU 40 9.969 -10.070 2.499 213 HG LEU 40 HG LEU 40 10.469 -7.681 1.790 214 1HD1 LEU 40 1HD1 LEU 40 9.325 -8.035 -0.459 215 2HD1 LEU 40 2HD1 LEU 40 8.977 -6.531 0.393 216 3HD1 LEU 40 3HD1 LEU 40 7.806 -7.850 0.416 217 1HD2 LEU 40 1HD2 LEU 40 9.310 -7.631 3.728 218 2HD2 LEU 40 2HD2 LEU 40 8.054 -8.717 3.131 219 3HD2 LEU 40 3HD2 LEU 40 8.027 -7.010 2.688 220 H ASN 41 H ASN 41 9.379 -12.042 -0.198 221 HA ASN 41 HA ASN 41 9.430 -11.392 -3.025 222 1HB ASN 41 1HB ASN 41 9.186 -13.772 -1.524 223 2HB ASN 41 2HB ASN 41 7.660 -13.574 -2.380 224 1HD2 ASN 41 1HD2 ASN 41 7.896 -13.010 -4.727 225 2HD2 ASN 41 2HD2 ASN 41 9.126 -13.840 -5.612 226 H GLU 42 H GLU 42 7.503 -11.147 -4.288 227 HA GLU 42 HA GLU 42 5.693 -9.272 -3.375 228 1HB GLU 42 1HB GLU 42 5.248 -11.363 -5.517 229 2HB GLU 42 2HB GLU 42 4.320 -9.880 -5.331 230 1HG GLU 42 1HG GLU 42 7.271 -10.009 -5.915 231 2HG GLU 42 2HG GLU 42 6.007 -9.747 -7.117 232 H ALA 43 H ALA 43 5.653 -12.739 -3.063 233 HA ALA 43 HA ALA 43 2.949 -13.170 -2.465 234 1HB ALA 43 1HB ALA 43 3.574 -15.286 -1.968 235 2HB ALA 43 2HB ALA 43 4.891 -14.761 -0.918 236 3HB ALA 43 3HB ALA 43 5.112 -14.780 -2.667 237 H GLN 44 H GLN 44 5.626 -12.029 -0.522 238 HA GLN 44 HA GLN 44 4.133 -11.991 1.953 239 1HB GLN 44 1HB GLN 44 6.819 -10.920 1.099 240 2HB GLN 44 2HB GLN 44 6.152 -10.587 2.691 241 1HG GLN 44 1HG GLN 44 6.072 -13.410 2.061 242 2HG GLN 44 2HG GLN 44 7.705 -12.754 1.961 243 1HE2 GLN 44 1HE2 GLN 44 5.103 -11.687 4.077 244 2HE2 GLN 44 2HE2 GLN 44 5.887 -12.107 5.557 245 H ILE 45 H ILE 45 4.846 -9.928 -0.712 246 HA ILE 45 HA ILE 45 4.214 -7.421 0.402 247 HB ILE 45 HB ILE 45 4.192 -8.427 -2.442 248 1HG1 ILE 45 1HG1 ILE 45 6.368 -8.345 -1.208 249 2HG1 ILE 45 2HG1 ILE 45 6.318 -7.308 -2.632 250 1HG2 ILE 45 1HG2 ILE 45 3.826 -6.302 -3.282 251 2HG2 ILE 45 2HG2 ILE 45 4.201 -5.522 -1.748 252 3HG2 ILE 45 3HG2 ILE 45 2.682 -6.390 -1.945 253 1HD1 ILE 45 1HD1 ILE 45 7.390 -6.100 -0.917 254 2HD1 ILE 45 2HD1 ILE 45 6.122 -6.486 0.246 255 3HD1 ILE 45 3HD1 ILE 45 5.781 -5.402 -1.101 256 H LYS 46 H LYS 46 2.240 -9.878 -1.231 257 HA LYS 46 HA LYS 46 -0.109 -8.380 -1.513 258 1HB LYS 46 1HB LYS 46 0.603 -10.879 -2.219 259 2HB LYS 46 2HB LYS 46 -0.380 -11.251 -0.810 260 1HG LYS 46 1HG LYS 46 -1.577 -9.346 -2.698 261 2HG LYS 46 2HG LYS 46 -1.341 -10.981 -3.317 262 1HD LYS 46 1HD LYS 46 -2.537 -11.869 -1.352 263 2HD LYS 46 2HD LYS 46 -2.818 -10.216 -0.799 264 1HE LYS 46 1HE LYS 46 -4.467 -9.864 -2.287 265 2HE LYS 46 2HE LYS 46 -3.633 -10.743 -3.569 266 1HZ LYS 46 1HZ LYS 46 -5.556 -11.702 -1.608 267 2HZ LYS 46 2HZ LYS 46 -4.281 -12.752 -1.973 268 3HZ LYS 46 3HZ LYS 46 -5.298 -12.198 -3.205 269 H ILE 47 H ILE 47 0.949 -10.524 1.094 270 HA ILE 47 HA ILE 47 -1.264 -10.015 2.812 271 HB ILE 47 HB ILE 47 1.362 -11.380 3.029 272 1HG1 ILE 47 1HG1 ILE 47 -1.038 -12.408 4.405 273 2HG1 ILE 47 2HG1 ILE 47 -1.206 -12.199 2.665 274 1HG2 ILE 47 1HG2 ILE 47 1.076 -11.657 5.502 275 2HG2 ILE 47 2HG2 ILE 47 -0.105 -10.350 5.448 276 3HG2 ILE 47 3HG2 ILE 47 1.571 -10.043 4.990 277 1HD1 ILE 47 1HD1 ILE 47 0.060 -13.974 2.228 278 2HD1 ILE 47 2HD1 ILE 47 -0.171 -14.392 3.925 279 3HD1 ILE 47 3HD1 ILE 47 1.274 -13.516 3.422 280 H TRP 48 H TRP 48 1.994 -8.765 2.531 281 HA TRP 48 HA TRP 48 2.097 -7.128 4.784 282 1HB TRP 48 1HB TRP 48 4.037 -7.761 3.428 283 2HB TRP 48 2HB TRP 48 3.404 -6.852 2.068 284 HD1 TRP 48 HD1 TRP 48 5.732 -6.568 4.902 285 HE1 TRP 48 HE1 TRP 48 6.566 -4.150 5.115 286 HE3 TRP 48 HE3 TRP 48 2.372 -4.221 1.864 287 HZ2 TRP 48 HZ2 TRP 48 5.909 -1.601 4.163 288 HZ3 TRP 48 HZ3 TRP 48 2.540 -1.793 1.570 289 HH2 TRP 48 HH2 TRP 48 4.280 -0.514 2.687 290 H PHE 49 H PHE 49 1.206 -6.342 1.446 291 HA PHE 49 HA PHE 49 0.509 -3.657 2.059 292 1HB PHE 49 1HB PHE 49 0.279 -5.400 -0.338 293 2HB PHE 49 2HB PHE 49 -0.736 -3.955 -0.267 294 HD1 PHE 49 HD1 PHE 49 2.696 -5.211 -0.330 295 HD2 PHE 49 HD2 PHE 49 0.211 -1.765 -0.336 296 HE1 PHE 49 HE1 PHE 49 4.650 -3.821 -0.871 297 HE2 PHE 49 HE2 PHE 49 2.165 -0.358 -0.891 298 HZ PHE 49 HZ PHE 49 4.393 -1.399 -1.129 299 H GLN 50 H GLN 50 -1.353 -6.618 1.686 300 HA GLN 50 HA GLN 50 -3.872 -5.407 1.945 301 1HB GLN 50 1HB GLN 50 -2.882 -8.212 2.413 302 2HB GLN 50 2HB GLN 50 -4.556 -7.773 2.722 303 1HG GLN 50 1HG GLN 50 -3.726 -6.852 0.125 304 2HG GLN 50 2HG GLN 50 -3.429 -8.580 0.306 305 1HE2 GLN 50 1HE2 GLN 50 -5.453 -9.459 1.803 306 2HE2 GLN 50 2HE2 GLN 50 -6.972 -9.184 1.027 307 H ASN 51 H ASN 51 -1.467 -6.430 4.275 308 HA ASN 51 HA ASN 51 -3.151 -6.389 6.562 309 1HB ASN 51 1HB ASN 51 -0.233 -6.502 6.044 310 2HB ASN 51 2HB ASN 51 -0.721 -5.889 7.621 311 1HD2 ASN 51 1HD2 ASN 51 -2.893 -7.375 8.223 312 2HD2 ASN 51 2HD2 ASN 51 -2.466 -9.045 8.345 313 H LYS 52 H LYS 52 -1.185 -3.965 4.938 314 HA LYS 52 HA LYS 52 -1.266 -1.955 6.875 315 1HB LYS 52 1HB LYS 52 -0.484 -2.203 4.126 316 2HB LYS 52 2HB LYS 52 -1.388 -0.710 4.335 317 1HG LYS 52 1HG LYS 52 0.139 0.127 5.904 318 2HG LYS 52 2HG LYS 52 0.876 -1.457 6.155 319 1HD LYS 52 1HD LYS 52 2.425 -0.848 4.671 320 2HD LYS 52 2HD LYS 52 1.173 -0.990 3.435 321 1HE LYS 52 1HE LYS 52 1.631 1.523 5.024 322 2HE LYS 52 2HE LYS 52 2.446 1.196 3.496 323 1HZ LYS 52 1HZ LYS 52 0.376 1.153 2.364 324 2HZ LYS 52 2HZ LYS 52 0.388 2.555 3.310 325 3HZ LYS 52 3HZ LYS 52 -0.504 1.208 3.809 326 H ARG 53 H ARG 53 -3.618 -2.898 4.442 327 HA ARG 53 HA ARG 53 -5.392 -0.727 5.316 328 1HB ARG 53 1HB ARG 53 -5.166 -2.341 2.817 329 2HB ARG 53 2HB ARG 53 -6.741 -1.695 3.258 330 1HG ARG 53 1HG ARG 53 -4.227 -0.082 2.870 331 2HG ARG 53 2HG ARG 53 -5.559 -0.221 1.719 332 1HD ARG 53 1HD ARG 53 -7.058 0.677 3.548 333 2HD ARG 53 2HD ARG 53 -5.588 1.053 4.446 334 HE ARG 53 HE ARG 53 -6.641 2.461 2.173 335 1HH1 ARG 53 1HH1 ARG 53 -3.765 1.750 4.017 336 2HH1 ARG 53 2HH1 ARG 53 -2.933 3.181 3.507 337 1HH2 ARG 53 1HH2 ARG 53 -5.549 4.343 1.502 338 2HH2 ARG 53 2HH2 ARG 53 -3.946 4.654 2.080 339 H ALA 54 H ALA 54 -4.795 -3.513 6.551 340 HA ALA 54 HA ALA 54 -7.162 -5.037 6.381 341 1HB ALA 54 1HB ALA 54 -5.657 -5.162 8.911 342 2HB ALA 54 2HB ALA 54 -4.726 -5.475 7.446 343 3HB ALA 54 3HB ALA 54 -6.147 -6.453 7.813 344 H LYS 55 H LYS 55 -6.252 -2.283 8.321 345 HA LYS 55 HA LYS 55 -8.341 -2.525 10.243 346 1HB LYS 55 1HB LYS 55 -6.127 -0.782 9.754 347 2HB LYS 55 2HB LYS 55 -7.568 0.199 9.978 348 1HG LYS 55 1HG LYS 55 -6.616 -1.926 11.887 349 2HG LYS 55 2HG LYS 55 -6.334 -0.193 12.068 350 1HD LYS 55 1HD LYS 55 -9.132 -1.116 11.679 351 2HD LYS 55 2HD LYS 55 -8.373 -1.419 13.243 352 1HE LYS 55 1HE LYS 55 -8.617 1.262 11.880 353 2HE LYS 55 2HE LYS 55 -9.597 0.699 13.234 354 1HZ LYS 55 1HZ LYS 55 -8.040 1.788 14.414 355 2HZ LYS 55 2HZ LYS 55 -6.864 1.678 13.203 356 3HZ LYS 55 3HZ LYS 55 -7.154 0.359 14.221 357 H ILE 56 H ILE 56 -8.038 -0.966 7.116 358 HA ILE 56 HA ILE 56 -9.582 -0.056 5.711 359 HB ILE 56 HB ILE 56 -11.698 -1.135 7.570 360 1HG1 ILE 56 1HG1 ILE 56 -10.537 -2.555 5.172 361 2HG1 ILE 56 2HG1 ILE 56 -9.956 -2.834 6.810 362 1HG2 ILE 56 1HG2 ILE 56 -12.844 0.171 6.084 363 2HG2 ILE 56 2HG2 ILE 56 -12.802 -1.348 5.188 364 3HG2 ILE 56 3HG2 ILE 56 -11.662 -0.060 4.797 365 1HD1 ILE 56 1HD1 ILE 56 -11.473 -4.548 6.462 366 2HD1 ILE 56 2HD1 ILE 56 -12.613 -3.500 5.618 367 3HD1 ILE 56 3HD1 ILE 56 -12.408 -3.355 7.364 368 H LYS 57 H LYS 57 -9.202 2.097 5.994 369 HA LYS 57 HA LYS 57 -10.886 3.477 7.980 370 1HB LYS 57 1HB LYS 57 -8.024 3.780 7.311 371 2HB LYS 57 2HB LYS 57 -8.918 5.280 7.517 372 1HG LYS 57 1HG LYS 57 -9.141 3.132 9.575 373 2HG LYS 57 2HG LYS 57 -7.724 4.184 9.545 374 1HD LYS 57 1HD LYS 57 -9.223 6.147 9.648 375 2HD LYS 57 2HD LYS 57 -10.604 5.056 9.770 376 1HE LYS 57 1HE LYS 57 -10.322 4.964 11.970 377 2HE LYS 57 2HE LYS 57 -8.723 4.262 11.729 378 1HZ LYS 57 1HZ LYS 57 -8.916 7.144 11.404 379 2HZ LYS 57 2HZ LYS 57 -7.709 6.215 12.139 380 3HZ LYS 57 3HZ LYS 57 -9.135 6.564 12.978 381 H LYS 58 H LYS 58 -12.043 5.235 7.317 382 HA LYS 58 HA LYS 58 -12.502 5.498 4.499 383 1HB LYS 58 1HB LYS 58 -14.123 5.798 6.585 384 2HB LYS 58 2HB LYS 58 -13.606 7.473 6.438 385 1HG LYS 58 1HG LYS 58 -14.224 6.895 3.863 386 2HG LYS 58 2HG LYS 58 -15.383 5.885 4.731 387 1HD LYS 58 1HD LYS 58 -14.977 8.795 5.372 388 2HD LYS 58 2HD LYS 58 -16.127 8.247 4.152 389 1HE LYS 58 1HE LYS 58 -17.439 7.119 5.735 390 2HE LYS 58 2HE LYS 58 -16.161 7.160 6.948 391 1HZ LYS 58 1HZ LYS 58 -18.010 9.285 6.125 392 2HZ LYS 58 2HZ LYS 58 -16.481 9.719 6.702 393 3HZ LYS 58 3HZ LYS 58 -17.528 8.821 7.680 394 H SER 59 H SER 59 -12.403 7.518 3.319 395 HA SER 59 HA SER 59 -10.596 9.551 4.371 396 1HB SER 59 1HB SER 59 -10.056 8.049 1.798 397 2HB SER 59 2HB SER 59 -9.173 9.473 2.347 398 HG SER 59 HG SER 59 -9.152 6.858 3.357 Start of MODEL 12 1 1H ALA 16 1H ALA 16 -11.669 8.812 -16.214 2 2H ALA 16 2H ALA 16 -10.292 9.205 -15.267 3 3H ALA 16 3H ALA 16 -11.600 10.311 -15.385 4 HA ALA 16 HA ALA 16 -12.988 8.456 -14.428 5 1HB ALA 16 1HB ALA 16 -10.808 6.964 -14.727 6 2HB ALA 16 2HB ALA 16 -11.981 6.675 -13.443 7 3HB ALA 16 3HB ALA 16 -10.497 7.561 -13.096 8 H LYS 17 H LYS 17 -13.891 9.992 -13.197 9 HA LYS 17 HA LYS 17 -12.238 11.178 -11.063 10 1HB LYS 17 1HB LYS 17 -13.160 12.675 -13.007 11 2HB LYS 17 2HB LYS 17 -14.676 12.557 -12.126 12 1HG LYS 17 1HG LYS 17 -13.638 14.550 -11.417 13 2HG LYS 17 2HG LYS 17 -13.438 13.392 -10.101 14 1HD LYS 17 1HD LYS 17 -11.308 14.213 -10.217 15 2HD LYS 17 2HD LYS 17 -11.175 12.882 -11.368 16 1HE LYS 17 1HE LYS 17 -10.236 14.617 -12.558 17 2HE LYS 17 2HE LYS 17 -11.911 14.677 -13.106 18 1HZ LYS 17 1HZ LYS 17 -11.977 16.770 -12.435 19 2HZ LYS 17 2HZ LYS 17 -10.413 16.673 -11.798 20 3HZ LYS 17 3HZ LYS 17 -11.744 16.268 -10.836 21 H ARG 18 H ARG 18 -12.761 10.032 -9.296 22 HA ARG 18 HA ARG 18 -15.288 10.350 -8.084 23 1HB ARG 18 1HB ARG 18 -15.727 8.574 -9.890 24 2HB ARG 18 2HB ARG 18 -14.764 7.497 -8.888 25 1HG ARG 18 1HG ARG 18 -16.743 6.976 -7.977 26 2HG ARG 18 2HG ARG 18 -16.498 8.461 -7.054 27 1HD ARG 18 1HD ARG 18 -18.000 9.656 -8.320 28 2HD ARG 18 2HD ARG 18 -17.796 8.621 -9.732 29 HE ARG 18 HE ARG 18 -19.470 7.275 -8.943 30 1HH1 ARG 18 1HH1 ARG 18 -18.375 9.343 -6.353 31 2HH1 ARG 18 2HH1 ARG 18 -19.639 8.868 -5.271 32 1HH2 ARG 18 1HH2 ARG 18 -21.135 6.649 -7.520 33 2HH2 ARG 18 2HH2 ARG 18 -21.205 7.337 -5.931 34 H GLU 19 H GLU 19 -12.850 7.741 -8.187 35 HA GLU 19 HA GLU 19 -12.159 8.393 -5.404 36 1HB GLU 19 1HB GLU 19 -12.587 5.620 -6.532 37 2HB GLU 19 2HB GLU 19 -11.949 5.970 -4.931 38 1HG GLU 19 1HG GLU 19 -14.162 7.313 -4.648 39 2HG GLU 19 2HG GLU 19 -14.718 6.303 -5.983 40 H PHE 20 H PHE 20 -10.036 7.563 -4.740 41 HA PHE 20 HA PHE 20 -8.067 8.107 -6.731 42 1HB PHE 20 1HB PHE 20 -6.446 7.545 -4.908 43 2HB PHE 20 2HB PHE 20 -7.630 8.766 -4.453 44 HD1 PHE 20 HD1 PHE 20 -7.141 5.070 -4.319 45 HD2 PHE 20 HD2 PHE 20 -8.689 8.554 -2.428 46 HE1 PHE 20 HE1 PHE 20 -7.764 3.723 -2.358 47 HE2 PHE 20 HE2 PHE 20 -9.314 7.212 -0.462 48 HZ PHE 20 HZ PHE 20 -8.854 4.793 -0.426 49 H ASN 21 H ASN 21 -6.026 6.467 -6.504 50 HA ASN 21 HA ASN 21 -6.955 4.045 -7.790 51 1HB ASN 21 1HB ASN 21 -4.526 5.620 -7.757 52 2HB ASN 21 2HB ASN 21 -4.175 3.912 -7.522 53 1HD2 ASN 21 1HD2 ASN 21 -3.980 5.987 -9.800 54 2HD2 ASN 21 2HD2 ASN 21 -4.581 5.115 -11.166 55 H GLU 22 H GLU 22 -7.067 2.079 -6.896 56 HA GLU 22 HA GLU 22 -6.249 1.803 -4.101 57 1HB GLU 22 1HB GLU 22 -8.381 0.699 -5.763 58 2HB GLU 22 2HB GLU 22 -7.567 -0.529 -4.804 59 1HG GLU 22 1HG GLU 22 -7.917 1.313 -2.909 60 2HG GLU 22 2HG GLU 22 -9.275 1.724 -3.954 61 H ASN 23 H ASN 23 -4.305 0.971 -3.731 62 HA ASN 23 HA ASN 23 -2.411 -0.279 -3.915 63 1HB ASN 23 1HB ASN 23 -4.461 -2.141 -5.063 64 2HB ASN 23 2HB ASN 23 -2.771 -2.605 -4.928 65 1HD2 ASN 23 1HD2 ASN 23 -5.272 -1.083 -2.919 66 2HD2 ASN 23 2HD2 ASN 23 -4.921 -1.993 -1.493 67 H ARG 24 H ARG 24 -2.914 1.608 -5.870 68 HA ARG 24 HA ARG 24 -1.302 0.559 -8.079 69 1HB ARG 24 1HB ARG 24 -3.721 2.328 -8.494 70 2HB ARG 24 2HB ARG 24 -2.699 1.620 -9.743 71 1HG ARG 24 1HG ARG 24 -3.544 -0.572 -8.313 72 2HG ARG 24 2HG ARG 24 -4.955 0.486 -8.305 73 1HD ARG 24 1HD ARG 24 -3.952 0.588 -10.915 74 2HD ARG 24 2HD ARG 24 -3.868 -1.107 -10.444 75 HE ARG 24 HE ARG 24 -6.224 -1.088 -10.097 76 1HH1 ARG 24 1HH1 ARG 24 -4.998 1.843 -11.562 77 2HH1 ARG 24 2HH1 ARG 24 -6.543 2.323 -12.175 78 1HH2 ARG 24 1HH2 ARG 24 -8.248 -0.446 -10.903 79 2HH2 ARG 24 2HH2 ARG 24 -8.384 1.028 -11.800 80 H TYR 25 H TYR 25 -2.706 3.393 -6.536 81 HA TYR 25 HA TYR 25 -1.223 5.415 -7.673 82 1HB TYR 25 1HB TYR 25 -1.773 6.729 -5.700 83 2HB TYR 25 2HB TYR 25 -3.156 5.743 -6.164 84 HD1 TYR 25 HD1 TYR 25 -3.232 3.363 -4.949 85 HD2 TYR 25 HD2 TYR 25 -1.200 6.792 -3.457 86 HE1 TYR 25 HE1 TYR 25 -3.319 2.421 -2.684 87 HE2 TYR 25 HE2 TYR 25 -1.288 5.860 -1.184 88 HH TYR 25 HH TYR 25 -1.470 3.386 -0.214 89 H LEU 26 H LEU 26 -0.443 3.525 -4.766 90 HA LEU 26 HA LEU 26 2.336 4.470 -5.008 91 1HB LEU 26 1HB LEU 26 1.846 5.515 -3.067 92 2HB LEU 26 2HB LEU 26 0.469 4.486 -2.742 93 HG LEU 26 HG LEU 26 3.270 3.484 -2.327 94 1HD1 LEU 26 1HD1 LEU 26 3.501 5.176 -0.853 95 2HD1 LEU 26 2HD1 LEU 26 2.511 4.128 0.164 96 3HD1 LEU 26 3HD1 LEU 26 1.763 5.451 -0.729 97 1HD2 LEU 26 1HD2 LEU 26 1.611 2.432 -0.411 98 2HD2 LEU 26 2HD2 LEU 26 2.064 1.641 -1.921 99 3HD2 LEU 26 3HD2 LEU 26 0.551 2.544 -1.817 100 H THR 27 H THR 27 0.212 1.857 -3.947 101 HA THR 27 HA THR 27 1.914 -0.042 -3.060 102 HB THR 27 HB THR 27 -0.606 -0.143 -4.623 103 HG1 THR 27 HG1 THR 27 -1.215 -1.319 -2.728 104 1HG2 THR 27 1HG2 THR 27 -0.547 -2.698 -4.185 105 2HG2 THR 27 2HG2 THR 27 1.201 -2.488 -4.301 106 3HG2 THR 27 3HG2 THR 27 0.166 -2.040 -5.657 107 H GLU 28 H GLU 28 1.191 0.520 -6.507 108 HA GLU 28 HA GLU 28 2.856 -1.492 -7.520 109 1HB GLU 28 1HB GLU 28 1.560 0.940 -8.620 110 2HB GLU 28 2HB GLU 28 2.872 0.241 -9.559 111 1HG GLU 28 1HG GLU 28 0.402 -1.218 -8.647 112 2HG GLU 28 2HG GLU 28 0.682 -0.580 -10.267 113 H ARG 29 H ARG 29 3.518 2.007 -7.233 114 HA ARG 29 HA ARG 29 6.189 1.822 -8.132 115 1HB ARG 29 1HB ARG 29 4.498 3.884 -6.848 116 2HB ARG 29 2HB ARG 29 6.235 4.083 -6.656 117 1HG ARG 29 1HG ARG 29 6.131 3.595 -9.289 118 2HG ARG 29 2HG ARG 29 4.549 4.344 -9.058 119 1HD ARG 29 1HD ARG 29 6.073 6.088 -9.589 120 2HD ARG 29 2HD ARG 29 5.719 6.216 -7.866 121 HE ARG 29 HE ARG 29 8.070 4.670 -8.454 122 1HH1 ARG 29 1HH1 ARG 29 6.824 7.882 -7.897 123 2HH1 ARG 29 2HH1 ARG 29 8.350 8.521 -7.388 124 1HH2 ARG 29 1HH2 ARG 29 10.078 5.510 -7.785 125 2HH2 ARG 29 2HH2 ARG 29 10.198 7.175 -7.325 126 H ARG 30 H ARG 30 4.767 1.806 -4.901 127 HA ARG 30 HA ARG 30 7.279 1.763 -3.542 128 1HB ARG 30 1HB ARG 30 4.752 2.354 -2.781 129 2HB ARG 30 2HB ARG 30 4.895 0.723 -2.141 130 1HG ARG 30 1HG ARG 30 5.748 1.758 -0.350 131 2HG ARG 30 2HG ARG 30 7.231 1.799 -1.305 132 1HD ARG 30 1HD ARG 30 5.158 3.988 -1.227 133 2HD ARG 30 2HD ARG 30 6.661 3.987 -0.305 134 HE ARG 30 HE ARG 30 7.528 3.671 -2.833 135 1HH1 ARG 30 1HH1 ARG 30 5.327 5.956 -1.376 136 2HH1 ARG 30 2HH1 ARG 30 5.705 7.222 -2.493 137 1HH2 ARG 30 1HH2 ARG 30 8.027 5.337 -4.302 138 2HH2 ARG 30 2HH2 ARG 30 7.239 6.872 -4.154 139 H ARG 31 H ARG 31 5.246 -0.653 -4.955 140 HA ARG 31 HA ARG 31 5.923 -2.879 -3.422 141 1HB ARG 31 1HB ARG 31 4.663 -2.372 -5.968 142 2HB ARG 31 2HB ARG 31 5.724 -3.767 -6.090 143 1HG ARG 31 1HG ARG 31 4.482 -5.017 -4.644 144 2HG ARG 31 2HG ARG 31 3.873 -3.609 -3.772 145 1HD ARG 31 1HD ARG 31 2.018 -4.415 -4.948 146 2HD ARG 31 2HD ARG 31 2.597 -3.059 -5.917 147 HE ARG 31 HE ARG 31 3.859 -5.163 -7.031 148 1HH1 ARG 31 1HH1 ARG 31 0.512 -4.573 -6.233 149 2HH1 ARG 31 2HH1 ARG 31 -0.097 -5.560 -7.518 150 1HH2 ARG 31 1HH2 ARG 31 3.058 -6.461 -8.721 151 2HH2 ARG 31 2HH2 ARG 31 1.347 -6.633 -8.930 152 H GLN 32 H GLN 32 7.558 -1.433 -6.197 153 HA GLN 32 HA GLN 32 9.561 -3.420 -6.441 154 1HB GLN 32 1HB GLN 32 9.062 -0.726 -7.538 155 2HB GLN 32 2HB GLN 32 10.753 -1.204 -7.473 156 1HG GLN 32 1HG GLN 32 9.464 -3.423 -8.512 157 2HG GLN 32 2HG GLN 32 8.653 -2.052 -9.269 158 1HE2 GLN 32 1HE2 GLN 32 10.648 -0.245 -9.540 159 2HE2 GLN 32 2HE2 GLN 32 11.868 -0.852 -10.603 160 H GLN 33 H GLN 33 9.410 -0.360 -4.682 161 HA GLN 33 HA GLN 33 12.117 -0.505 -3.771 162 1HB GLN 33 1HB GLN 33 9.847 1.167 -2.684 163 2HB GLN 33 2HB GLN 33 11.563 1.428 -2.406 164 1HG GLN 33 1HG GLN 33 10.927 1.340 -5.229 165 2HG GLN 33 2HG GLN 33 10.009 2.581 -4.378 166 1HE2 GLN 33 1HE2 GLN 33 11.311 3.989 -5.786 167 2HE2 GLN 33 2HE2 GLN 33 12.872 4.481 -5.236 168 H LEU 34 H LEU 34 8.958 -1.220 -2.310 169 HA LEU 34 HA LEU 34 9.949 -1.808 0.263 170 1HB LEU 34 1HB LEU 34 7.425 -2.212 -1.197 171 2HB LEU 34 2HB LEU 34 7.720 -3.351 0.101 172 HG LEU 34 HG LEU 34 8.010 -0.420 0.625 173 1HD1 LEU 34 1HD1 LEU 34 5.585 -0.528 1.392 174 2HD1 LEU 34 2HD1 LEU 34 5.446 -1.954 0.363 175 3HD1 LEU 34 3HD1 LEU 34 5.880 -0.396 -0.342 176 1HD2 LEU 34 1HD2 LEU 34 8.744 -1.813 2.391 177 2HD2 LEU 34 2HD2 LEU 34 7.328 -2.855 2.253 178 3HD2 LEU 34 3HD2 LEU 34 7.156 -1.210 2.863 179 H SER 35 H SER 35 9.439 -3.797 -2.597 180 HA SER 35 HA SER 35 9.982 -6.285 -1.389 181 1HB SER 35 1HB SER 35 10.263 -7.130 -3.654 182 2HB SER 35 2HB SER 35 8.895 -6.019 -3.609 183 HG SER 35 HG SER 35 11.412 -5.707 -4.785 184 H SER 36 H SER 36 12.067 -4.099 -3.279 185 HA SER 36 HA SER 36 14.424 -5.634 -2.918 186 1HB SER 36 1HB SER 36 13.778 -3.641 -4.593 187 2HB SER 36 2HB SER 36 14.658 -2.709 -3.382 188 HG SER 36 HG SER 36 15.644 -5.026 -4.696 189 H GLU 37 H GLU 37 13.031 -2.896 -1.178 190 HA GLU 37 HA GLU 37 15.265 -2.402 0.483 191 1HB GLU 37 1HB GLU 37 13.361 -0.820 0.049 192 2HB GLU 37 2HB GLU 37 12.376 -1.807 1.119 193 1HG GLU 37 1HG GLU 37 13.412 -1.065 2.989 194 2HG GLU 37 2HG GLU 37 14.966 -0.860 2.181 195 H LEU 38 H LEU 38 12.267 -4.238 1.045 196 HA LEU 38 HA LEU 38 13.223 -5.130 3.628 197 1HB LEU 38 1HB LEU 38 10.708 -5.574 2.053 198 2HB LEU 38 2HB LEU 38 11.058 -6.537 3.476 199 HG LEU 38 HG LEU 38 11.072 -4.559 4.874 200 1HD1 LEU 38 1HD1 LEU 38 10.518 -2.356 3.965 201 2HD1 LEU 38 2HD1 LEU 38 10.543 -3.025 2.333 202 3HD1 LEU 38 3HD1 LEU 38 12.023 -2.979 3.288 203 1HD2 LEU 38 1HD2 LEU 38 8.732 -5.074 3.104 204 2HD2 LEU 38 2HD2 LEU 38 8.668 -3.725 4.238 205 3HD2 LEU 38 3HD2 LEU 38 8.926 -5.366 4.833 206 H GLY 39 H GLY 39 13.313 -6.247 0.376 207 1HA GLY 39 1HA GLY 39 14.368 -8.082 -0.527 208 2HA GLY 39 2HA GLY 39 14.940 -8.477 1.087 209 H LEU 40 H LEU 40 11.545 -8.082 0.399 210 HA LEU 40 HA LEU 40 11.185 -10.962 0.872 211 1HB LEU 40 1HB LEU 40 8.717 -10.073 1.243 212 2HB LEU 40 2HB LEU 40 9.914 -10.053 2.524 213 HG LEU 40 HG LEU 40 10.389 -7.654 1.914 214 1HD1 LEU 40 1HD1 LEU 40 9.384 -7.873 -0.381 215 2HD1 LEU 40 2HD1 LEU 40 8.881 -6.454 0.536 216 3HD1 LEU 40 3HD1 LEU 40 7.800 -7.841 0.395 217 1HD2 LEU 40 1HD2 LEU 40 7.912 -7.011 2.738 218 2HD2 LEU 40 2HD2 LEU 40 9.159 -7.654 3.807 219 3HD2 LEU 40 3HD2 LEU 40 7.931 -8.728 3.138 220 H ASN 41 H ASN 41 9.293 -11.956 -0.217 221 HA ASN 41 HA ASN 41 9.356 -11.276 -3.032 222 1HB ASN 41 1HB ASN 41 9.157 -13.662 -1.629 223 2HB ASN 41 2HB ASN 41 7.535 -13.428 -2.273 224 1HD2 ASN 41 1HD2 ASN 41 7.461 -12.832 -4.622 225 2HD2 ASN 41 2HD2 ASN 41 8.556 -13.657 -5.674 226 H GLU 42 H GLU 42 7.504 -10.871 -4.304 227 HA GLU 42 HA GLU 42 5.698 -9.013 -3.322 228 1HB GLU 42 1HB GLU 42 5.273 -10.911 -5.641 229 2HB GLU 42 2HB GLU 42 4.433 -9.385 -5.386 230 1HG GLU 42 1HG GLU 42 6.096 -8.191 -6.266 231 2HG GLU 42 2HG GLU 42 7.332 -9.108 -5.406 232 H ALA 43 H ALA 43 5.561 -12.495 -3.306 233 HA ALA 43 HA ALA 43 2.820 -12.887 -2.867 234 1HB ALA 43 1HB ALA 43 3.345 -15.063 -2.438 235 2HB ALA 43 2HB ALA 43 4.720 -14.643 -1.417 236 3HB ALA 43 3HB ALA 43 4.870 -14.568 -3.173 237 H GLN 44 H GLN 44 5.433 -11.985 -0.736 238 HA GLN 44 HA GLN 44 3.848 -12.116 1.678 239 1HB GLN 44 1HB GLN 44 6.602 -11.128 0.985 240 2HB GLN 44 2HB GLN 44 5.892 -10.782 2.556 241 1HG GLN 44 1HG GLN 44 6.313 -13.537 1.422 242 2HG GLN 44 2HG GLN 44 7.373 -12.740 2.583 243 1HE2 GLN 44 1HE2 GLN 44 5.734 -11.633 4.358 244 2HE2 GLN 44 2HE2 GLN 44 4.759 -12.822 5.145 245 H ILE 45 H ILE 45 4.704 -9.861 -0.781 246 HA ILE 45 HA ILE 45 4.113 -7.441 0.526 247 HB ILE 45 HB ILE 45 4.142 -8.192 -2.396 248 1HG1 ILE 45 1HG1 ILE 45 6.280 -8.210 -1.042 249 2HG1 ILE 45 2HG1 ILE 45 6.286 -7.151 -2.450 250 1HG2 ILE 45 1HG2 ILE 45 3.954 -5.413 -1.262 251 2HG2 ILE 45 2HG2 ILE 45 2.617 -6.280 -2.015 252 3HG2 ILE 45 3HG2 ILE 45 4.040 -5.858 -2.963 253 1HD1 ILE 45 1HD1 ILE 45 7.316 -5.955 -0.716 254 2HD1 ILE 45 2HD1 ILE 45 6.058 -6.388 0.440 255 3HD1 ILE 45 3HD1 ILE 45 5.700 -5.270 -0.875 256 H LYS 46 H LYS 46 2.109 -9.686 -1.361 257 HA LYS 46 HA LYS 46 -0.187 -8.109 -1.590 258 1HB LYS 46 1HB LYS 46 0.484 -10.627 -2.371 259 2HB LYS 46 2HB LYS 46 -0.635 -10.982 -1.061 260 1HG LYS 46 1HG LYS 46 -2.052 -9.119 -2.374 261 2HG LYS 46 2HG LYS 46 -1.133 -9.806 -3.714 262 1HD LYS 46 1HD LYS 46 -2.273 -11.801 -1.898 263 2HD LYS 46 2HD LYS 46 -3.475 -10.813 -2.729 264 1HE LYS 46 1HE LYS 46 -2.305 -11.344 -4.875 265 2HE LYS 46 2HE LYS 46 -1.294 -12.476 -3.977 266 1HZ LYS 46 1HZ LYS 46 -3.569 -13.162 -5.165 267 2HZ LYS 46 2HZ LYS 46 -4.160 -12.783 -3.627 268 3HZ LYS 46 3HZ LYS 46 -2.958 -13.960 -3.803 269 H ILE 47 H ILE 47 0.759 -10.416 0.913 270 HA ILE 47 HA ILE 47 -1.479 -9.957 2.617 271 HB ILE 47 HB ILE 47 1.106 -11.385 2.782 272 1HG1 ILE 47 1HG1 ILE 47 -1.449 -12.265 4.064 273 2HG1 ILE 47 2HG1 ILE 47 -1.350 -12.225 2.307 274 1HG2 ILE 47 1HG2 ILE 47 1.398 -10.140 4.781 275 2HG2 ILE 47 2HG2 ILE 47 0.831 -11.742 5.254 276 3HG2 ILE 47 3HG2 ILE 47 -0.286 -10.378 5.253 277 1HD1 ILE 47 1HD1 ILE 47 0.283 -13.872 2.242 278 2HD1 ILE 47 2HD1 ILE 47 -0.806 -14.412 3.520 279 3HD1 ILE 47 3HD1 ILE 47 0.723 -13.638 3.934 280 H TRP 48 H TRP 48 1.774 -8.731 2.393 281 HA TRP 48 HA TRP 48 1.963 -7.229 4.720 282 1HB TRP 48 1HB TRP 48 3.830 -7.768 3.217 283 2HB TRP 48 2HB TRP 48 3.130 -6.753 1.970 284 HD1 TRP 48 HD1 TRP 48 5.592 -6.698 4.708 285 HE1 TRP 48 HE1 TRP 48 6.460 -4.307 5.054 286 HE3 TRP 48 HE3 TRP 48 2.120 -4.120 1.999 287 HZ2 TRP 48 HZ2 TRP 48 5.785 -1.692 4.313 288 HZ3 TRP 48 HZ3 TRP 48 2.300 -1.678 1.870 289 HH2 TRP 48 HH2 TRP 48 4.103 -0.493 2.995 290 H PHE 49 H PHE 49 0.921 -6.237 1.484 291 HA PHE 49 HA PHE 49 0.241 -3.600 2.302 292 1HB PHE 49 1HB PHE 49 -0.091 -5.181 -0.195 293 2HB PHE 49 2HB PHE 49 -1.094 -3.740 0.016 294 HD1 PHE 49 HD1 PHE 49 -0.123 -1.550 0.101 295 HD2 PHE 49 HD2 PHE 49 2.309 -5.005 -0.313 296 HE1 PHE 49 HE1 PHE 49 1.820 -0.117 -0.433 297 HE2 PHE 49 HE2 PHE 49 4.250 -3.593 -0.851 298 HZ PHE 49 HZ PHE 49 4.015 -1.155 -0.889 299 H GLN 50 H GLN 50 -1.627 -6.540 1.809 300 HA GLN 50 HA GLN 50 -4.131 -5.335 2.280 301 1HB GLN 50 1HB GLN 50 -3.161 -8.183 2.414 302 2HB GLN 50 2HB GLN 50 -4.819 -7.757 2.814 303 1HG GLN 50 1HG GLN 50 -4.419 -6.514 0.393 304 2HG GLN 50 2HG GLN 50 -3.529 -8.026 0.226 305 1HE2 GLN 50 1HE2 GLN 50 -4.836 -9.152 -1.083 306 2HE2 GLN 50 2HE2 GLN 50 -6.475 -9.564 -0.722 307 H ASN 51 H ASN 51 -1.640 -6.626 4.375 308 HA ASN 51 HA ASN 51 -3.286 -6.713 6.724 309 1HB ASN 51 1HB ASN 51 -0.381 -7.066 6.129 310 2HB ASN 51 2HB ASN 51 -0.859 -6.735 7.792 311 1HD2 ASN 51 1HD2 ASN 51 -2.340 -8.654 5.204 312 2HD2 ASN 51 2HD2 ASN 51 -2.404 -10.129 6.101 313 H LYS 52 H LYS 52 -1.037 -4.409 5.297 314 HA LYS 52 HA LYS 52 -0.875 -2.634 7.471 315 1HB LYS 52 1HB LYS 52 0.366 -2.787 5.083 316 2HB LYS 52 2HB LYS 52 -0.774 -1.493 4.738 317 1HG LYS 52 1HG LYS 52 0.302 -0.019 6.046 318 2HG LYS 52 2HG LYS 52 0.684 -1.226 7.275 319 1HD LYS 52 1HD LYS 52 2.076 -1.563 4.704 320 2HD LYS 52 2HD LYS 52 2.508 -0.112 5.612 321 1HE LYS 52 1HE LYS 52 2.366 -2.670 7.105 322 2HE LYS 52 2HE LYS 52 3.717 -2.455 5.993 323 1HZ LYS 52 1HZ LYS 52 3.149 -1.109 8.503 324 2HZ LYS 52 2HZ LYS 52 3.763 -0.128 7.270 325 3HZ LYS 52 3HZ LYS 52 4.635 -1.482 7.785 326 H ARG 53 H ARG 53 -3.069 -2.743 4.690 327 HA ARG 53 HA ARG 53 -4.826 -0.861 6.122 328 1HB ARG 53 1HB ARG 53 -5.551 0.007 3.918 329 2HB ARG 53 2HB ARG 53 -3.850 0.309 4.245 330 1HG ARG 53 1HG ARG 53 -3.793 -2.099 2.930 331 2HG ARG 53 2HG ARG 53 -5.103 -1.237 2.121 332 1HD ARG 53 1HD ARG 53 -2.996 -0.807 1.004 333 2HD ARG 53 2HD ARG 53 -3.603 0.668 1.749 334 HE ARG 53 HE ARG 53 -1.300 -0.914 2.633 335 1HH1 ARG 53 1HH1 ARG 53 -3.301 1.933 2.995 336 2HH1 ARG 53 2HH1 ARG 53 -2.149 2.760 3.985 337 1HH2 ARG 53 1HH2 ARG 53 0.205 0.182 3.936 338 2HH2 ARG 53 2HH2 ARG 53 -0.163 1.770 4.519 339 H ALA 54 H ALA 54 -6.336 -2.208 6.923 340 HA ALA 54 HA ALA 54 -7.636 -4.076 5.050 341 1HB ALA 54 1HB ALA 54 -6.423 -4.832 7.282 342 2HB ALA 54 2HB ALA 54 -7.893 -5.619 6.707 343 3HB ALA 54 3HB ALA 54 -7.984 -4.403 7.980 344 H LYS 55 H LYS 55 -8.267 -1.932 7.820 345 HA LYS 55 HA LYS 55 -11.109 -1.918 7.251 346 1HB LYS 55 1HB LYS 55 -9.356 -0.890 9.424 347 2HB LYS 55 2HB LYS 55 -10.885 -0.062 9.162 348 1HG LYS 55 1HG LYS 55 -10.638 -3.028 9.602 349 2HG LYS 55 2HG LYS 55 -10.955 -1.857 10.883 350 1HD LYS 55 1HD LYS 55 -12.676 -2.314 8.446 351 2HD LYS 55 2HD LYS 55 -13.022 -2.898 10.074 352 1HE LYS 55 1HE LYS 55 -12.638 -0.258 10.546 353 2HE LYS 55 2HE LYS 55 -13.319 -0.208 8.920 354 1HZ LYS 55 1HZ LYS 55 -15.134 -1.671 9.806 355 2HZ LYS 55 2HZ LYS 55 -15.119 -0.093 10.414 356 3HZ LYS 55 3HZ LYS 55 -14.535 -1.368 11.359 357 H ILE 56 H ILE 56 -8.713 0.689 7.704 358 HA ILE 56 HA ILE 56 -8.439 2.700 6.672 359 HB ILE 56 HB ILE 56 -10.101 1.571 4.421 360 1HG1 ILE 56 1HG1 ILE 56 -7.177 1.560 4.136 361 2HG1 ILE 56 2HG1 ILE 56 -7.774 0.463 5.377 362 1HG2 ILE 56 1HG2 ILE 56 -9.777 3.969 4.293 363 2HG2 ILE 56 2HG2 ILE 56 -8.826 3.162 3.046 364 3HG2 ILE 56 3HG2 ILE 56 -8.038 3.767 4.502 365 1HD1 ILE 56 1HD1 ILE 56 -7.996 0.318 2.461 366 2HD1 ILE 56 2HD1 ILE 56 -9.462 -0.104 3.345 367 3HD1 ILE 56 3HD1 ILE 56 -7.957 -0.967 3.667 368 H LYS 57 H LYS 57 -9.525 4.136 7.901 369 HA LYS 57 HA LYS 57 -12.151 4.966 6.980 370 1HB LYS 57 1HB LYS 57 -12.654 3.296 8.713 371 2HB LYS 57 2HB LYS 57 -11.658 4.184 9.859 372 1HG LYS 57 1HG LYS 57 -13.897 4.740 10.340 373 2HG LYS 57 2HG LYS 57 -13.204 6.140 9.520 374 1HD LYS 57 1HD LYS 57 -14.284 4.421 7.536 375 2HD LYS 57 2HD LYS 57 -15.496 4.606 8.805 376 1HE LYS 57 1HE LYS 57 -14.612 7.164 8.516 377 2HE LYS 57 2HE LYS 57 -14.471 6.557 6.867 378 1HZ LYS 57 1HZ LYS 57 -16.751 6.050 6.801 379 2HZ LYS 57 2HZ LYS 57 -16.663 7.591 7.489 380 3HZ LYS 57 3HZ LYS 57 -16.942 6.243 8.471 381 H LYS 58 H LYS 58 -12.335 7.119 7.004 382 HA LYS 58 HA LYS 58 -11.843 9.316 7.320 383 1HB LYS 58 1HB LYS 58 -11.157 8.131 9.985 384 2HB LYS 58 2HB LYS 58 -10.795 9.822 9.666 385 1HG LYS 58 1HG LYS 58 -13.534 8.703 9.202 386 2HG LYS 58 2HG LYS 58 -13.016 9.248 10.799 387 1HD LYS 58 1HD LYS 58 -13.007 11.440 10.196 388 2HD LYS 58 2HD LYS 58 -12.528 11.091 8.533 389 1HE LYS 58 1HE LYS 58 -15.246 10.314 9.506 390 2HE LYS 58 2HE LYS 58 -14.923 11.982 9.034 391 1HZ LYS 58 1HZ LYS 58 -13.905 10.679 6.955 392 2HZ LYS 58 2HZ LYS 58 -15.512 11.202 7.022 393 3HZ LYS 58 3HZ LYS 58 -15.129 9.596 7.390 394 H SER 59 H SER 59 -9.984 10.878 7.796 395 HA SER 59 HA SER 59 -7.320 10.002 7.876 396 1HB SER 59 1HB SER 59 -6.750 10.605 5.452 397 2HB SER 59 2HB SER 59 -7.550 9.055 5.716 398 HG SER 59 HG SER 59 -8.431 11.283 4.383 Start of MODEL 13 1 1H ALA 16 1H ALA 16 -16.170 17.194 -3.990 2 2H ALA 16 2H ALA 16 -14.729 16.685 -4.773 3 3H ALA 16 3H ALA 16 -15.725 15.539 -3.972 4 HA ALA 16 HA ALA 16 -17.515 16.339 -5.560 5 1HB ALA 16 1HB ALA 16 -14.989 17.372 -6.794 6 2HB ALA 16 2HB ALA 16 -16.546 18.178 -6.601 7 3HB ALA 16 3HB ALA 16 -16.360 16.894 -7.794 8 H LYS 17 H LYS 17 -14.351 14.816 -5.659 9 HA LYS 17 HA LYS 17 -15.611 12.390 -6.703 10 1HB LYS 17 1HB LYS 17 -14.516 13.690 -8.580 11 2HB LYS 17 2HB LYS 17 -12.978 13.398 -7.779 12 1HG LYS 17 1HG LYS 17 -13.234 11.020 -8.051 13 2HG LYS 17 2HG LYS 17 -14.853 11.238 -8.718 14 1HD LYS 17 1HD LYS 17 -14.006 12.268 -10.676 15 2HD LYS 17 2HD LYS 17 -12.399 12.449 -9.970 16 1HE LYS 17 1HE LYS 17 -13.467 9.699 -10.140 17 2HE LYS 17 2HE LYS 17 -13.052 10.475 -11.667 18 1HZ LYS 17 1HZ LYS 17 -11.219 9.185 -10.622 19 2HZ LYS 17 2HZ LYS 17 -11.197 10.309 -9.358 20 3HZ LYS 17 3HZ LYS 17 -10.832 10.802 -10.934 21 H ARG 18 H ARG 18 -15.274 10.911 -5.189 22 HA ARG 18 HA ARG 18 -12.911 11.055 -3.494 23 1HB ARG 18 1HB ARG 18 -15.574 10.228 -3.109 24 2HB ARG 18 2HB ARG 18 -14.595 8.774 -2.964 25 1HG ARG 18 1HG ARG 18 -14.584 9.505 -0.803 26 2HG ARG 18 2HG ARG 18 -13.127 10.294 -1.412 27 1HD ARG 18 1HD ARG 18 -13.974 12.314 -1.020 28 2HD ARG 18 2HD ARG 18 -15.455 11.925 -1.894 29 HE ARG 18 HE ARG 18 -15.063 11.904 0.949 30 1HH1 ARG 18 1HH1 ARG 18 -16.948 10.590 -1.678 31 2HH1 ARG 18 2HH1 ARG 18 -18.314 10.224 -0.679 32 1HH2 ARG 18 1HH2 ARG 18 -16.860 11.422 2.264 33 2HH2 ARG 18 2HH2 ARG 18 -18.265 10.697 1.558 34 H GLU 19 H GLU 19 -12.579 8.370 -2.854 35 HA GLU 19 HA GLU 19 -11.426 6.515 -3.480 36 1HB GLU 19 1HB GLU 19 -13.156 7.039 -5.855 37 2HB GLU 19 2HB GLU 19 -11.875 5.845 -6.005 38 1HG GLU 19 1HG GLU 19 -12.909 4.361 -4.664 39 2HG GLU 19 2HG GLU 19 -13.587 5.609 -3.620 40 H PHE 20 H PHE 20 -9.850 5.686 -5.309 41 HA PHE 20 HA PHE 20 -8.493 7.664 -6.842 42 1HB PHE 20 1HB PHE 20 -6.382 7.695 -5.590 43 2HB PHE 20 2HB PHE 20 -7.700 8.343 -4.621 44 HD1 PHE 20 HD1 PHE 20 -5.857 5.163 -5.244 45 HD2 PHE 20 HD2 PHE 20 -8.012 7.573 -2.473 46 HE1 PHE 20 HE1 PHE 20 -5.319 3.573 -3.447 47 HE2 PHE 20 HE2 PHE 20 -7.475 5.986 -0.672 48 HZ PHE 20 HZ PHE 20 -6.127 3.983 -1.157 49 H ASN 21 H ASN 21 -6.049 6.625 -7.189 50 HA ASN 21 HA ASN 21 -6.491 4.355 -8.767 51 1HB ASN 21 1HB ASN 21 -3.802 5.117 -7.665 52 2HB ASN 21 2HB ASN 21 -4.175 4.344 -9.201 53 1HD2 ASN 21 1HD2 ASN 21 -2.611 6.708 -8.751 54 2HD2 ASN 21 2HD2 ASN 21 -3.388 7.994 -9.603 55 H GLU 22 H GLU 22 -7.379 2.640 -7.730 56 HA GLU 22 HA GLU 22 -6.583 1.653 -5.221 57 1HB GLU 22 1HB GLU 22 -8.580 1.041 -7.002 58 2HB GLU 22 2HB GLU 22 -7.545 -0.376 -7.117 59 1HG GLU 22 1HG GLU 22 -7.635 -0.479 -4.594 60 2HG GLU 22 2HG GLU 22 -8.922 0.722 -4.689 61 H ASN 23 H ASN 23 -4.442 1.363 -4.953 62 HA ASN 23 HA ASN 23 -2.398 0.392 -5.080 63 1HB ASN 23 1HB ASN 23 -4.025 -1.691 -6.511 64 2HB ASN 23 2HB ASN 23 -2.282 -1.841 -6.324 65 1HD2 ASN 23 1HD2 ASN 23 -5.048 -0.937 -4.284 66 2HD2 ASN 23 2HD2 ASN 23 -4.599 -1.932 -2.946 67 H ARG 24 H ARG 24 -1.584 2.085 -6.246 68 HA ARG 24 HA ARG 24 -0.376 1.507 -8.710 69 1HB ARG 24 1HB ARG 24 -2.233 1.841 -10.005 70 2HB ARG 24 2HB ARG 24 -3.028 2.845 -8.800 71 1HG ARG 24 1HG ARG 24 -2.128 4.769 -9.607 72 2HG ARG 24 2HG ARG 24 -0.664 3.976 -10.192 73 1HD ARG 24 1HD ARG 24 -2.341 2.818 -11.849 74 2HD ARG 24 2HD ARG 24 -3.337 4.227 -11.486 75 HE ARG 24 HE ARG 24 -0.982 5.350 -12.105 76 1HH1 ARG 24 1HH1 ARG 24 -2.895 2.922 -13.730 77 2HH1 ARG 24 2HH1 ARG 24 -2.346 3.369 -15.309 78 1HH2 ARG 24 1HH2 ARG 24 -0.262 5.938 -14.183 79 2HH2 ARG 24 2HH2 ARG 24 -0.851 5.080 -15.567 80 H TYR 25 H TYR 25 -1.874 4.471 -7.480 81 HA TYR 25 HA TYR 25 0.021 6.325 -7.890 82 1HB TYR 25 1HB TYR 25 -0.819 7.525 -5.929 83 2HB TYR 25 2HB TYR 25 -2.148 6.767 -6.804 84 HD1 TYR 25 HD1 TYR 25 -2.734 4.314 -5.947 85 HD2 TYR 25 HD2 TYR 25 -0.781 7.291 -3.620 86 HE1 TYR 25 HE1 TYR 25 -3.428 3.156 -3.903 87 HE2 TYR 25 HE2 TYR 25 -1.479 6.141 -1.562 88 HH TYR 25 HH TYR 25 -2.207 3.315 -1.188 89 H LEU 26 H LEU 26 -0.031 4.156 -5.080 90 HA LEU 26 HA LEU 26 2.803 4.806 -4.620 91 1HB LEU 26 1HB LEU 26 1.967 5.713 -2.722 92 2HB LEU 26 2HB LEU 26 0.489 4.778 -2.801 93 HG LEU 26 HG LEU 26 3.075 3.507 -1.948 94 1HD1 LEU 26 1HD1 LEU 26 1.410 5.440 -0.487 95 2HD1 LEU 26 2HD1 LEU 26 3.096 4.978 -0.249 96 3HD1 LEU 26 3HD1 LEU 26 1.805 3.960 0.389 97 1HD2 LEU 26 1HD2 LEU 26 0.281 2.724 -2.159 98 2HD2 LEU 26 2HD2 LEU 26 0.949 2.427 -0.554 99 3HD2 LEU 26 3HD2 LEU 26 1.726 1.727 -1.974 100 H THR 27 H THR 27 0.279 2.356 -4.487 101 HA THR 27 HA THR 27 1.581 0.208 -3.445 102 HB THR 27 HB THR 27 -0.509 0.493 -5.552 103 HG1 THR 27 HG1 THR 27 -0.380 -0.727 -3.000 104 1HG2 THR 27 1HG2 THR 27 1.049 -1.970 -5.101 105 2HG2 THR 27 2HG2 THR 27 0.142 -1.434 -6.516 106 3HG2 THR 27 3HG2 THR 27 -0.707 -2.130 -5.136 107 H GLU 28 H GLU 28 1.217 0.258 -6.967 108 HA GLU 28 HA GLU 28 3.264 -1.461 -7.566 109 1HB GLU 28 1HB GLU 28 2.149 0.833 -9.171 110 2HB GLU 28 2HB GLU 28 3.294 -0.327 -9.830 111 1HG GLU 28 1HG GLU 28 1.503 -2.048 -8.905 112 2HG GLU 28 2HG GLU 28 0.437 -0.662 -9.131 113 H ARG 29 H ARG 29 3.503 2.044 -7.133 114 HA ARG 29 HA ARG 29 6.168 2.284 -8.044 115 1HB ARG 29 1HB ARG 29 4.577 4.023 -6.154 116 2HB ARG 29 2HB ARG 29 6.137 4.464 -6.836 117 1HG ARG 29 1HG ARG 29 4.241 3.663 -8.878 118 2HG ARG 29 2HG ARG 29 3.654 5.015 -7.908 119 1HD ARG 29 1HD ARG 29 4.830 6.146 -9.514 120 2HD ARG 29 2HD ARG 29 6.088 5.927 -8.299 121 HE ARG 29 HE ARG 29 6.367 3.745 -9.866 122 1HH1 ARG 29 1HH1 ARG 29 6.202 7.162 -10.556 123 2HH1 ARG 29 2HH1 ARG 29 7.207 7.054 -11.962 124 1HH2 ARG 29 1HH2 ARG 29 7.691 3.601 -11.715 125 2HH2 ARG 29 2HH2 ARG 29 8.052 5.032 -12.620 126 H ARG 30 H ARG 30 4.824 2.017 -4.767 127 HA ARG 30 HA ARG 30 7.432 1.932 -3.559 128 1HB ARG 30 1HB ARG 30 4.631 1.648 -2.511 129 2HB ARG 30 2HB ARG 30 6.027 1.338 -1.487 130 1HG ARG 30 1HG ARG 30 6.700 3.743 -2.501 131 2HG ARG 30 2HG ARG 30 4.941 3.878 -2.493 132 1HD ARG 30 1HD ARG 30 4.991 3.129 -0.099 133 2HD ARG 30 2HD ARG 30 6.747 3.269 -0.160 134 HE ARG 30 HE ARG 30 5.362 5.655 -0.972 135 1HH1 ARG 30 1HH1 ARG 30 6.645 3.870 1.739 136 2HH1 ARG 30 2HH1 ARG 30 6.812 5.272 2.742 137 1HH2 ARG 30 1HH2 ARG 30 5.582 7.499 0.346 138 2HH2 ARG 30 2HH2 ARG 30 6.209 7.331 1.952 139 H ARG 31 H ARG 31 5.195 -0.401 -4.789 140 HA ARG 31 HA ARG 31 5.856 -2.634 -3.262 141 1HB ARG 31 1HB ARG 31 4.136 -2.217 -5.284 142 2HB ARG 31 2HB ARG 31 5.401 -3.062 -6.163 143 1HG ARG 31 1HG ARG 31 4.373 -4.199 -3.607 144 2HG ARG 31 2HG ARG 31 3.439 -4.386 -5.094 145 1HD ARG 31 1HD ARG 31 6.262 -5.304 -4.574 146 2HD ARG 31 2HD ARG 31 4.839 -6.313 -4.829 147 HE ARG 31 HE ARG 31 6.447 -5.044 -6.841 148 1HH1 ARG 31 1HH1 ARG 31 3.289 -6.330 -6.103 149 2HH1 ARG 31 2HH1 ARG 31 2.887 -6.634 -7.760 150 1HH2 ARG 31 1HH2 ARG 31 5.921 -5.441 -9.021 151 2HH2 ARG 31 2HH2 ARG 31 4.381 -6.129 -9.417 152 H GLN 32 H GLN 32 7.464 -1.214 -6.048 153 HA GLN 32 HA GLN 32 9.314 -3.335 -6.447 154 1HB GLN 32 1HB GLN 32 8.729 -1.637 -8.171 155 2HB GLN 32 2HB GLN 32 9.599 -0.430 -7.234 156 1HG GLN 32 1HG GLN 32 11.294 -2.685 -7.660 157 2HG GLN 32 2HG GLN 32 10.605 -2.173 -9.199 158 1HE2 GLN 32 1HE2 GLN 32 11.148 -0.191 -10.045 159 2HE2 GLN 32 2HE2 GLN 32 12.433 0.778 -9.416 160 H GLN 33 H GLN 33 9.467 -0.271 -4.679 161 HA GLN 33 HA GLN 33 12.192 -0.634 -3.880 162 1HB GLN 33 1HB GLN 33 10.097 1.217 -2.733 163 2HB GLN 33 2HB GLN 33 11.832 1.327 -2.471 164 1HG GLN 33 1HG GLN 33 11.513 1.325 -5.239 165 2HG GLN 33 2HG GLN 33 10.228 2.363 -4.622 166 1HE2 GLN 33 1HE2 GLN 33 10.737 4.297 -3.681 167 2HE2 GLN 33 2HE2 GLN 33 12.329 4.967 -3.688 168 H LEU 34 H LEU 34 9.046 -1.209 -2.387 169 HA LEU 34 HA LEU 34 9.990 -1.806 0.198 170 1HB LEU 34 1HB LEU 34 7.480 -2.182 -1.303 171 2HB LEU 34 2HB LEU 34 7.732 -3.291 0.032 172 HG LEU 34 HG LEU 34 8.094 -0.364 0.506 173 1HD1 LEU 34 1HD1 LEU 34 5.767 -0.038 0.925 174 2HD1 LEU 34 2HD1 LEU 34 5.412 -1.729 0.571 175 3HD1 LEU 34 3HD1 LEU 34 5.944 -0.650 -0.718 176 1HD2 LEU 34 1HD2 LEU 34 7.009 -1.159 2.700 177 2HD2 LEU 34 2HD2 LEU 34 8.674 -1.633 2.366 178 3HD2 LEU 34 3HD2 LEU 34 7.362 -2.784 2.112 179 H SER 35 H SER 35 9.475 -3.808 -2.655 180 HA SER 35 HA SER 35 9.953 -6.293 -1.402 181 1HB SER 35 1HB SER 35 8.940 -5.761 -3.746 182 2HB SER 35 2HB SER 35 10.619 -5.791 -4.288 183 HG SER 35 HG SER 35 9.172 -7.880 -3.029 184 H SER 36 H SER 36 12.082 -4.203 -3.350 185 HA SER 36 HA SER 36 14.395 -5.796 -2.981 186 1HB SER 36 1HB SER 36 13.773 -3.779 -4.663 187 2HB SER 36 2HB SER 36 14.759 -2.901 -3.494 188 HG SER 36 HG SER 36 15.803 -4.032 -5.393 189 H GLU 37 H GLU 37 13.141 -2.954 -1.289 190 HA GLU 37 HA GLU 37 15.409 -2.520 0.334 191 1HB GLU 37 1HB GLU 37 13.508 -0.904 -0.096 192 2HB GLU 37 2HB GLU 37 12.565 -1.830 1.065 193 1HG GLU 37 1HG GLU 37 15.125 -1.149 2.174 194 2HG GLU 37 2HG GLU 37 14.306 0.293 1.577 195 H LEU 38 H LEU 38 12.387 -4.294 0.942 196 HA LEU 38 HA LEU 38 13.335 -5.166 3.535 197 1HB LEU 38 1HB LEU 38 10.816 -5.617 1.967 198 2HB LEU 38 2HB LEU 38 11.158 -6.545 3.414 199 HG LEU 38 HG LEU 38 11.375 -3.608 3.687 200 1HD1 LEU 38 1HD1 LEU 38 9.407 -3.771 2.273 201 2HD1 LEU 38 2HD1 LEU 38 8.954 -3.334 3.920 202 3HD1 LEU 38 3HD1 LEU 38 8.715 -4.985 3.349 203 1HD2 LEU 38 1HD2 LEU 38 11.444 -5.684 5.405 204 2HD2 LEU 38 2HD2 LEU 38 9.734 -5.262 5.489 205 3HD2 LEU 38 3HD2 LEU 38 10.961 -4.050 5.858 206 H GLY 39 H GLY 39 13.406 -6.319 0.295 207 1HA GLY 39 1HA GLY 39 14.433 -8.177 -0.592 208 2HA GLY 39 2HA GLY 39 15.011 -8.558 1.022 209 H LEU 40 H LEU 40 11.618 -8.132 0.364 210 HA LEU 40 HA LEU 40 11.225 -11.000 0.879 211 1HB LEU 40 1HB LEU 40 8.767 -10.074 1.236 212 2HB LEU 40 2HB LEU 40 9.966 -10.053 2.516 213 HG LEU 40 HG LEU 40 10.475 -7.666 1.844 214 1HD1 LEU 40 1HD1 LEU 40 9.403 -7.917 -0.419 215 2HD1 LEU 40 2HD1 LEU 40 8.942 -6.475 0.486 216 3HD1 LEU 40 3HD1 LEU 40 7.844 -7.853 0.402 217 1HD2 LEU 40 1HD2 LEU 40 8.039 -8.691 3.152 218 2HD2 LEU 40 2HD2 LEU 40 8.033 -6.979 2.728 219 3HD2 LEU 40 3HD2 LEU 40 9.300 -7.624 3.771 220 H ASN 41 H ASN 41 9.323 -11.993 -0.189 221 HA ASN 41 HA ASN 41 9.373 -11.344 -3.014 222 1HB ASN 41 1HB ASN 41 9.219 -13.718 -1.604 223 2HB ASN 41 2HB ASN 41 7.577 -13.503 -2.201 224 1HD2 ASN 41 1HD2 ASN 41 7.423 -12.933 -4.548 225 2HD2 ASN 41 2HD2 ASN 41 8.495 -13.749 -5.628 226 H GLU 42 H GLU 42 7.501 -10.978 -4.274 227 HA GLU 42 HA GLU 42 5.696 -9.114 -3.304 228 1HB GLU 42 1HB GLU 42 6.220 -9.682 -5.722 229 2HB GLU 42 2HB GLU 42 5.119 -11.045 -5.555 230 1HG GLU 42 1HG GLU 42 3.733 -8.782 -4.627 231 2HG GLU 42 2HG GLU 42 4.538 -8.304 -6.121 232 H ALA 43 H ALA 43 5.580 -12.596 -3.222 233 HA ALA 43 HA ALA 43 2.847 -12.998 -2.745 234 1HB ALA 43 1HB ALA 43 5.119 -14.601 -1.567 235 2HB ALA 43 2HB ALA 43 4.499 -14.803 -3.206 236 3HB ALA 43 3HB ALA 43 3.459 -15.139 -1.821 237 H GLN 44 H GLN 44 5.477 -12.035 -0.660 238 HA GLN 44 HA GLN 44 3.921 -12.128 1.773 239 1HB GLN 44 1HB GLN 44 6.663 -11.161 1.021 240 2HB GLN 44 2HB GLN 44 5.974 -10.745 2.584 241 1HG GLN 44 1HG GLN 44 6.412 -13.539 1.551 242 2HG GLN 44 2HG GLN 44 7.432 -12.698 2.718 243 1HE2 GLN 44 1HE2 GLN 44 5.653 -11.529 4.370 244 2HE2 GLN 44 2HE2 GLN 44 4.700 -12.721 5.180 245 H ILE 45 H ILE 45 4.736 -9.919 -0.739 246 HA ILE 45 HA ILE 45 4.138 -7.475 0.520 247 HB ILE 45 HB ILE 45 4.162 -8.298 -2.381 248 1HG1 ILE 45 1HG1 ILE 45 6.311 -8.268 -1.088 249 2HG1 ILE 45 2HG1 ILE 45 6.283 -7.164 -2.461 250 1HG2 ILE 45 1HG2 ILE 45 4.004 -5.471 -1.383 251 2HG2 ILE 45 2HG2 ILE 45 2.609 -6.372 -1.973 252 3HG2 ILE 45 3HG2 ILE 45 3.960 -6.031 -3.051 253 1HD1 ILE 45 1HD1 ILE 45 6.098 -6.516 0.453 254 2HD1 ILE 45 2HD1 ILE 45 5.634 -5.362 -0.796 255 3HD1 ILE 45 3HD1 ILE 45 7.287 -5.974 -0.731 256 H LYS 46 H LYS 46 2.137 -9.779 -1.295 257 HA LYS 46 HA LYS 46 -0.176 -8.230 -1.543 258 1HB LYS 46 1HB LYS 46 0.493 -10.720 -2.323 259 2HB LYS 46 2HB LYS 46 -0.523 -11.117 -0.945 260 1HG LYS 46 1HG LYS 46 -1.919 -9.166 -2.397 261 2HG LYS 46 2HG LYS 46 -1.276 -10.302 -3.585 262 1HD LYS 46 1HD LYS 46 -2.184 -12.093 -1.893 263 2HD LYS 46 2HD LYS 46 -3.216 -10.762 -1.365 264 1HE LYS 46 1HE LYS 46 -4.410 -10.742 -3.295 265 2HE LYS 46 2HE LYS 46 -3.029 -11.222 -4.280 266 1HZ LYS 46 1HZ LYS 46 -3.487 -13.397 -4.020 267 2HZ LYS 46 2HZ LYS 46 -5.055 -12.840 -3.715 268 3HZ LYS 46 3HZ LYS 46 -4.029 -13.223 -2.426 269 H ILE 47 H ILE 47 0.813 -10.468 1.009 270 HA ILE 47 HA ILE 47 -1.421 -9.990 2.713 271 HB ILE 47 HB ILE 47 1.179 -11.392 2.905 272 1HG1 ILE 47 1HG1 ILE 47 -0.657 -12.845 4.308 273 2HG1 ILE 47 2HG1 ILE 47 -1.699 -11.951 3.205 274 1HG2 ILE 47 1HG2 ILE 47 0.905 -11.694 5.387 275 2HG2 ILE 47 2HG2 ILE 47 -0.220 -10.336 5.351 276 3HG2 ILE 47 3HG2 ILE 47 1.464 -10.099 4.874 277 1HD1 ILE 47 1HD1 ILE 47 0.482 -12.960 1.710 278 2HD1 ILE 47 2HD1 ILE 47 -1.225 -13.390 1.603 279 3HD1 ILE 47 3HD1 ILE 47 -0.161 -14.270 2.701 280 H TRP 48 H TRP 48 1.834 -8.752 2.470 281 HA TRP 48 HA TRP 48 1.999 -7.188 4.756 282 1HB TRP 48 1HB TRP 48 3.882 -7.752 3.286 283 2HB TRP 48 2HB TRP 48 3.186 -6.781 2.003 284 HD1 TRP 48 HD1 TRP 48 5.627 -6.622 4.753 285 HE1 TRP 48 HE1 TRP 48 6.466 -4.213 5.041 286 HE3 TRP 48 HE3 TRP 48 2.147 -4.154 1.954 287 HZ2 TRP 48 HZ2 TRP 48 5.767 -1.626 4.231 288 HZ3 TRP 48 HZ3 TRP 48 2.300 -1.714 1.764 289 HH2 TRP 48 HH2 TRP 48 4.081 -0.480 2.870 290 H PHE 49 H PHE 49 0.972 -6.290 1.490 291 HA PHE 49 HA PHE 49 0.273 -3.636 2.229 292 1HB PHE 49 1HB PHE 49 -0.030 -5.290 -0.224 293 2HB PHE 49 2HB PHE 49 -1.049 -3.853 -0.060 294 HD1 PHE 49 HD1 PHE 49 2.375 -5.088 -0.331 295 HD2 PHE 49 HD2 PHE 49 -0.108 -1.656 -0.032 296 HE1 PHE 49 HE1 PHE 49 4.304 -3.663 -0.881 297 HE2 PHE 49 HE2 PHE 49 1.818 -0.213 -0.597 298 HZ PHE 49 HZ PHE 49 4.033 -1.231 -0.994 299 H GLN 50 H GLN 50 -1.577 -6.599 1.812 300 HA GLN 50 HA GLN 50 -4.092 -5.404 2.228 301 1HB GLN 50 1HB GLN 50 -3.090 -8.233 2.473 302 2HB GLN 50 2HB GLN 50 -4.750 -7.814 2.872 303 1HG GLN 50 1HG GLN 50 -4.288 -6.662 0.377 304 2HG GLN 50 2HG GLN 50 -3.532 -8.252 0.305 305 1HE2 GLN 50 1HE2 GLN 50 -4.908 -10.066 1.119 306 2HE2 GLN 50 2HE2 GLN 50 -6.587 -10.031 0.711 307 H ASN 51 H ASN 51 -1.600 -6.575 4.392 308 HA ASN 51 HA ASN 51 -3.202 -6.687 6.737 309 1HB ASN 51 1HB ASN 51 -0.345 -6.890 6.071 310 2HB ASN 51 2HB ASN 51 -0.666 -6.214 7.665 311 1HD2 ASN 51 1HD2 ASN 51 -2.387 -8.677 5.797 312 2HD2 ASN 51 2HD2 ASN 51 -2.230 -9.930 6.976 313 H LYS 52 H LYS 52 -1.190 -4.173 5.279 314 HA LYS 52 HA LYS 52 -1.386 -2.318 7.398 315 1HB LYS 52 1HB LYS 52 -0.523 -2.257 4.569 316 2HB LYS 52 2HB LYS 52 -1.011 -0.714 5.256 317 1HG LYS 52 1HG LYS 52 0.664 -0.804 6.909 318 2HG LYS 52 2HG LYS 52 0.991 -2.510 6.592 319 1HD LYS 52 1HD LYS 52 2.213 -2.067 4.710 320 2HD LYS 52 2HD LYS 52 1.327 -0.582 4.354 321 1HE LYS 52 1HE LYS 52 2.920 -0.586 6.839 322 2HE LYS 52 2HE LYS 52 3.835 -0.631 5.332 323 1HZ LYS 52 1HZ LYS 52 2.218 1.502 6.456 324 2HZ LYS 52 2HZ LYS 52 2.077 1.286 4.785 325 3HZ LYS 52 3HZ LYS 52 3.592 1.587 5.472 326 H ARG 53 H ARG 53 -3.494 -3.110 4.737 327 HA ARG 53 HA ARG 53 -5.105 -0.752 4.932 328 1HB ARG 53 1HB ARG 53 -4.804 -2.723 3.056 329 2HB ARG 53 2HB ARG 53 -6.360 -3.136 3.764 330 1HG ARG 53 1HG ARG 53 -7.386 -1.317 2.909 331 2HG ARG 53 2HG ARG 53 -5.955 -0.297 3.069 332 1HD ARG 53 1HD ARG 53 -6.124 -2.504 1.038 333 2HD ARG 53 2HD ARG 53 -6.732 -0.882 0.706 334 HE ARG 53 HE ARG 53 -3.983 -1.715 0.832 335 1HH1 ARG 53 1HH1 ARG 53 -6.169 0.990 1.119 336 2HH1 ARG 53 2HH1 ARG 53 -4.958 2.169 0.745 337 1HH2 ARG 53 1HH2 ARG 53 -2.389 -0.165 0.339 338 2HH2 ARG 53 2HH2 ARG 53 -2.812 1.514 0.302 339 H ALA 54 H ALA 54 -4.796 -3.399 6.942 340 HA ALA 54 HA ALA 54 -7.448 -3.995 7.636 341 1HB ALA 54 1HB ALA 54 -6.567 -5.065 9.559 342 2HB ALA 54 2HB ALA 54 -5.106 -4.078 9.523 343 3HB ALA 54 3HB ALA 54 -5.383 -5.289 8.271 344 H LYS 55 H LYS 55 -5.349 -1.358 8.542 345 HA LYS 55 HA LYS 55 -6.671 -0.478 10.848 346 1HB LYS 55 1HB LYS 55 -4.455 0.319 9.509 347 2HB LYS 55 2HB LYS 55 -5.568 1.608 9.068 348 1HG LYS 55 1HG LYS 55 -6.028 1.922 11.509 349 2HG LYS 55 2HG LYS 55 -4.715 0.788 11.832 350 1HD LYS 55 1HD LYS 55 -3.602 2.798 11.954 351 2HD LYS 55 2HD LYS 55 -3.357 2.380 10.258 352 1HE LYS 55 1HE LYS 55 -4.102 4.485 9.923 353 2HE LYS 55 2HE LYS 55 -5.681 3.714 10.070 354 1HZ LYS 55 1HZ LYS 55 -5.188 5.801 11.455 355 2HZ LYS 55 2HZ LYS 55 -4.304 4.763 12.456 356 3HZ LYS 55 3HZ LYS 55 -5.956 4.497 12.212 357 H ILE 56 H ILE 56 -6.971 0.822 7.536 358 HA ILE 56 HA ILE 56 -8.731 1.755 6.428 359 HB ILE 56 HB ILE 56 -10.496 0.752 8.660 360 1HG1 ILE 56 1HG1 ILE 56 -10.173 -0.740 6.097 361 2HG1 ILE 56 2HG1 ILE 56 -8.916 -0.914 7.318 362 1HG2 ILE 56 1HG2 ILE 56 -12.283 0.920 7.108 363 2HG2 ILE 56 2HG2 ILE 56 -11.179 1.244 5.772 364 3HG2 ILE 56 3HG2 ILE 56 -11.403 2.447 7.042 365 1HD1 ILE 56 1HD1 ILE 56 -11.059 -2.491 7.187 366 2HD1 ILE 56 2HD1 ILE 56 -11.698 -1.231 8.242 367 3HD1 ILE 56 3HD1 ILE 56 -10.237 -2.108 8.699 368 H LYS 57 H LYS 57 -8.508 3.903 6.474 369 HA LYS 57 HA LYS 57 -9.186 5.347 8.940 370 1HB LYS 57 1HB LYS 57 -7.806 6.495 6.518 371 2HB LYS 57 2HB LYS 57 -7.863 7.157 8.146 372 1HG LYS 57 1HG LYS 57 -6.416 5.449 8.971 373 2HG LYS 57 2HG LYS 57 -6.503 4.568 7.444 374 1HD LYS 57 1HD LYS 57 -5.636 6.993 6.593 375 2HD LYS 57 2HD LYS 57 -4.892 6.914 8.191 376 1HE LYS 57 1HE LYS 57 -4.084 4.596 7.525 377 2HE LYS 57 2HE LYS 57 -4.560 5.017 5.881 378 1HZ LYS 57 1HZ LYS 57 -2.241 5.484 6.197 379 2HZ LYS 57 2HZ LYS 57 -2.563 6.438 7.557 380 3HZ LYS 57 3HZ LYS 57 -3.070 6.949 6.027 381 H LYS 58 H LYS 58 -9.927 7.748 8.229 382 HA LYS 58 HA LYS 58 -12.246 7.353 6.453 383 1HB LYS 58 1HB LYS 58 -12.402 7.886 9.082 384 2HB LYS 58 2HB LYS 58 -12.294 9.531 8.468 385 1HG LYS 58 1HG LYS 58 -14.189 8.032 6.923 386 2HG LYS 58 2HG LYS 58 -14.567 7.905 8.642 387 1HD LYS 58 1HD LYS 58 -14.990 10.144 8.855 388 2HD LYS 58 2HD LYS 58 -13.883 10.586 7.554 389 1HE LYS 58 1HE LYS 58 -15.520 10.562 6.041 390 2HE LYS 58 2HE LYS 58 -16.087 8.982 6.580 391 1HZ LYS 58 1HZ LYS 58 -16.968 10.511 8.561 392 2HZ LYS 58 2HZ LYS 58 -17.880 10.180 7.176 393 3HZ LYS 58 3HZ LYS 58 -17.029 11.636 7.298 394 H SER 59 H SER 59 -12.354 8.588 4.698 395 HA SER 59 HA SER 59 -10.685 11.016 4.595 396 1HB SER 59 1HB SER 59 -10.468 10.621 2.163 397 2HB SER 59 2HB SER 59 -9.810 9.284 3.108 398 HG SER 59 HG SER 59 -11.716 9.214 1.254 Start of MODEL 14 1 1H ALA 16 1H ALA 16 -16.985 -1.174 -7.910 2 2H ALA 16 2H ALA 16 -15.477 -1.032 -8.718 3 3H ALA 16 3H ALA 16 -16.848 -1.636 -9.555 4 HA ALA 16 HA ALA 16 -16.155 0.717 -9.982 5 1HB ALA 16 1HB ALA 16 -18.320 -0.351 -10.612 6 2HB ALA 16 2HB ALA 16 -18.425 1.385 -10.311 7 3HB ALA 16 3HB ALA 16 -18.993 0.242 -9.094 8 H LYS 17 H LYS 17 -15.452 0.200 -7.137 9 HA LYS 17 HA LYS 17 -16.812 2.168 -5.567 10 1HB LYS 17 1HB LYS 17 -14.604 0.251 -5.178 11 2HB LYS 17 2HB LYS 17 -14.499 1.714 -4.207 12 1HG LYS 17 1HG LYS 17 -17.015 0.092 -4.306 13 2HG LYS 17 2HG LYS 17 -15.692 -0.319 -3.213 14 1HD LYS 17 1HD LYS 17 -15.983 1.564 -1.934 15 2HD LYS 17 2HD LYS 17 -16.666 2.494 -3.268 16 1HE LYS 17 1HE LYS 17 -18.643 2.127 -2.291 17 2HE LYS 17 2HE LYS 17 -18.509 0.491 -2.934 18 1HZ LYS 17 1HZ LYS 17 -17.119 0.250 -0.681 19 2HZ LYS 17 2HZ LYS 17 -18.781 -0.051 -0.782 20 3HZ LYS 17 3HZ LYS 17 -18.225 1.439 -0.205 21 H ARG 18 H ARG 18 -16.665 4.189 -6.411 22 HA ARG 18 HA ARG 18 -15.779 6.219 -6.928 23 1HB ARG 18 1HB ARG 18 -13.761 5.050 -5.068 24 2HB ARG 18 2HB ARG 18 -13.343 6.525 -5.928 25 1HG ARG 18 1HG ARG 18 -15.047 7.747 -4.903 26 2HG ARG 18 2HG ARG 18 -15.898 6.292 -4.381 27 1HD ARG 18 1HD ARG 18 -13.155 6.542 -3.367 28 2HD ARG 18 2HD ARG 18 -14.262 7.794 -2.805 29 HE ARG 18 HE ARG 18 -14.286 5.008 -2.093 30 1HH1 ARG 18 1HH1 ARG 18 -16.198 7.918 -2.337 31 2HH1 ARG 18 2HH1 ARG 18 -17.353 7.406 -1.153 32 1HH2 ARG 18 1HH2 ARG 18 -15.806 4.334 -0.537 33 2HH2 ARG 18 2HH2 ARG 18 -17.131 5.372 -0.131 34 H GLU 19 H GLU 19 -13.530 7.233 -7.797 35 HA GLU 19 HA GLU 19 -12.591 5.430 -9.930 36 1HB GLU 19 1HB GLU 19 -14.167 7.217 -10.718 37 2HB GLU 19 2HB GLU 19 -12.995 8.414 -10.185 38 1HG GLU 19 1HG GLU 19 -11.490 6.755 -11.766 39 2HG GLU 19 2HG GLU 19 -13.046 6.783 -12.593 40 H PHE 20 H PHE 20 -10.577 4.898 -9.376 41 HA PHE 20 HA PHE 20 -8.490 6.780 -9.441 42 1HB PHE 20 1HB PHE 20 -7.718 6.660 -7.104 43 2HB PHE 20 2HB PHE 20 -9.301 7.423 -7.223 44 HD1 PHE 20 HD1 PHE 20 -7.717 4.117 -6.595 45 HD2 PHE 20 HD2 PHE 20 -11.016 6.697 -5.855 46 HE1 PHE 20 HE1 PHE 20 -8.599 2.506 -4.963 47 HE2 PHE 20 HE2 PHE 20 -11.907 5.092 -4.218 48 HZ PHE 20 HZ PHE 20 -10.699 2.991 -3.770 49 H ASN 21 H ASN 21 -6.394 5.695 -8.454 50 HA ASN 21 HA ASN 21 -6.217 3.104 -9.719 51 1HB ASN 21 1HB ASN 21 -4.143 4.812 -8.337 52 2HB ASN 21 2HB ASN 21 -3.801 3.292 -9.153 53 1HD2 ASN 21 1HD2 ASN 21 -3.994 6.602 -9.487 54 2HD2 ASN 21 2HD2 ASN 21 -3.972 6.697 -11.211 55 H GLU 22 H GLU 22 -7.112 1.495 -8.538 56 HA GLU 22 HA GLU 22 -7.218 1.344 -5.753 57 1HB GLU 22 1HB GLU 22 -7.878 -0.356 -7.986 58 2HB GLU 22 2HB GLU 22 -7.146 -1.306 -6.700 59 1HG GLU 22 1HG GLU 22 -8.980 -1.201 -5.462 60 2HG GLU 22 2HG GLU 22 -9.089 0.549 -5.651 61 H ASN 23 H ASN 23 -4.880 -0.039 -8.026 62 HA ASN 23 HA ASN 23 -2.860 -0.015 -5.958 63 1HB ASN 23 1HB ASN 23 -3.379 -2.595 -7.398 64 2HB ASN 23 2HB ASN 23 -2.285 -2.301 -6.055 65 1HD2 ASN 23 1HD2 ASN 23 -3.069 -2.239 -3.984 66 2HD2 ASN 23 2HD2 ASN 23 -4.682 -2.702 -3.571 67 H ARG 24 H ARG 24 -2.479 1.628 -7.679 68 HA ARG 24 HA ARG 24 -0.497 0.592 -9.549 69 1HB ARG 24 1HB ARG 24 -2.636 2.539 -10.440 70 2HB ARG 24 2HB ARG 24 -1.360 1.849 -11.431 71 1HG ARG 24 1HG ARG 24 -3.047 -0.170 -10.180 72 2HG ARG 24 2HG ARG 24 -3.935 0.928 -11.233 73 1HD ARG 24 1HD ARG 24 -1.376 -0.368 -12.113 74 2HD ARG 24 2HD ARG 24 -2.926 -1.192 -12.268 75 HE ARG 24 HE ARG 24 -2.857 1.462 -13.398 76 1HH1 ARG 24 1HH1 ARG 24 -2.348 -1.941 -13.985 77 2HH1 ARG 24 2HH1 ARG 24 -2.567 -1.806 -15.697 78 1HH2 ARG 24 1HH2 ARG 24 -3.144 1.641 -15.649 79 2HH2 ARG 24 2HH2 ARG 24 -3.016 0.228 -16.643 80 H TYR 25 H TYR 25 -2.129 3.492 -8.353 81 HA TYR 25 HA TYR 25 -0.300 5.434 -8.929 82 1HB TYR 25 1HB TYR 25 -1.247 6.715 -7.084 83 2HB TYR 25 2HB TYR 25 -2.518 5.856 -7.947 84 HD1 TYR 25 HD1 TYR 25 -2.950 3.379 -6.905 85 HD2 TYR 25 HD2 TYR 25 -1.409 6.732 -4.788 86 HE1 TYR 25 HE1 TYR 25 -3.693 2.376 -4.794 87 HE2 TYR 25 HE2 TYR 25 -2.165 5.742 -2.670 88 HH TYR 25 HH TYR 25 -3.237 2.498 -2.432 89 H LEU 26 H LEU 26 -0.369 3.515 -5.914 90 HA LEU 26 HA LEU 26 2.431 4.315 -5.485 91 1HB LEU 26 1HB LEU 26 2.098 4.409 -3.190 92 2HB LEU 26 2HB LEU 26 0.624 5.105 -3.837 93 HG LEU 26 HG LEU 26 -0.377 2.739 -3.561 94 1HD1 LEU 26 1HD1 LEU 26 1.189 1.225 -2.991 95 2HD1 LEU 26 2HD1 LEU 26 0.893 1.827 -1.360 96 3HD1 LEU 26 3HD1 LEU 26 2.262 2.436 -2.291 97 1HD2 LEU 26 1HD2 LEU 26 -1.359 3.499 -1.686 98 2HD2 LEU 26 2HD2 LEU 26 -0.451 4.968 -2.036 99 3HD2 LEU 26 3HD2 LEU 26 0.176 3.800 -0.874 100 H THR 27 H THR 27 0.142 1.699 -5.568 101 HA THR 27 HA THR 27 1.380 -0.359 -4.331 102 HB THR 27 HB THR 27 -0.150 -0.296 -6.916 103 HG1 THR 27 HG1 THR 27 -0.740 -1.071 -4.260 104 1HG2 THR 27 1HG2 THR 27 0.473 -2.366 -7.398 105 2HG2 THR 27 2HG2 THR 27 -0.383 -2.869 -5.940 106 3HG2 THR 27 3HG2 THR 27 1.348 -2.537 -5.876 107 H GLU 28 H GLU 28 1.675 -0.354 -7.854 108 HA GLU 28 HA GLU 28 3.937 -1.890 -8.029 109 1HB GLU 28 1HB GLU 28 3.035 0.308 -9.890 110 2HB GLU 28 2HB GLU 28 4.250 -0.898 -10.289 111 1HG GLU 28 1HG GLU 28 2.692 -2.631 -10.321 112 2HG GLU 28 2HG GLU 28 1.497 -1.694 -9.426 113 H ARG 29 H ARG 29 3.766 1.599 -7.547 114 HA ARG 29 HA ARG 29 6.500 2.129 -8.036 115 1HB ARG 29 1HB ARG 29 4.187 3.580 -6.983 116 2HB ARG 29 2HB ARG 29 5.710 4.084 -6.264 117 1HG ARG 29 1HG ARG 29 6.403 4.042 -8.867 118 2HG ARG 29 2HG ARG 29 4.691 4.450 -8.998 119 1HD ARG 29 1HD ARG 29 6.026 6.470 -8.869 120 2HD ARG 29 2HD ARG 29 5.030 6.306 -7.424 121 HE ARG 29 HE ARG 29 6.936 6.104 -6.167 122 1HH1 ARG 29 1HH1 ARG 29 7.749 5.716 -9.539 123 2HH1 ARG 29 2HH1 ARG 29 9.457 5.745 -9.259 124 1HH2 ARG 29 1HH2 ARG 29 9.182 6.143 -5.797 125 2HH2 ARG 29 2HH2 ARG 29 10.271 5.987 -7.136 126 H ARG 30 H ARG 30 4.713 1.615 -5.006 127 HA ARG 30 HA ARG 30 7.118 1.715 -3.429 128 1HB ARG 30 1HB ARG 30 4.280 1.764 -2.942 129 2HB ARG 30 2HB ARG 30 5.049 0.583 -1.892 130 1HG ARG 30 1HG ARG 30 6.275 2.164 -0.777 131 2HG ARG 30 2HG ARG 30 6.256 3.292 -2.134 132 1HD ARG 30 1HD ARG 30 4.115 4.038 -1.649 133 2HD ARG 30 2HD ARG 30 3.712 2.592 -0.727 134 HE ARG 30 HE ARG 30 5.003 4.965 0.246 135 1HH1 ARG 30 1HH1 ARG 30 4.554 1.544 0.760 136 2HH1 ARG 30 2HH1 ARG 30 4.923 1.622 2.450 137 1HH2 ARG 30 1HH2 ARG 30 5.490 5.071 2.468 138 2HH2 ARG 30 2HH2 ARG 30 5.455 3.624 3.421 139 H ARG 31 H ARG 31 5.262 -0.741 -5.012 140 HA ARG 31 HA ARG 31 5.976 -2.970 -3.474 141 1HB ARG 31 1HB ARG 31 4.338 -2.638 -5.552 142 2HB ARG 31 2HB ARG 31 5.722 -3.283 -6.421 143 1HG ARG 31 1HG ARG 31 5.195 -4.848 -4.070 144 2HG ARG 31 2HG ARG 31 3.743 -4.708 -5.064 145 1HD ARG 31 1HD ARG 31 6.456 -5.704 -5.921 146 2HD ARG 31 2HD ARG 31 4.976 -6.650 -5.762 147 HE ARG 31 HE ARG 31 4.293 -4.771 -7.572 148 1HH1 ARG 31 1HH1 ARG 31 6.992 -6.975 -7.356 149 2HH1 ARG 31 2HH1 ARG 31 7.184 -7.104 -9.071 150 1HH2 ARG 31 1HH2 ARG 31 4.544 -4.941 -9.828 151 2HH2 ARG 31 2HH2 ARG 31 5.795 -5.950 -10.476 152 H GLN 32 H GLN 32 7.589 -1.441 -6.224 153 HA GLN 32 HA GLN 32 9.626 -3.362 -6.531 154 1HB GLN 32 1HB GLN 32 9.028 -1.618 -8.210 155 2HB GLN 32 2HB GLN 32 9.771 -0.411 -7.169 156 1HG GLN 32 1HG GLN 32 11.669 -2.463 -7.530 157 2HG GLN 32 2HG GLN 32 10.982 -2.106 -9.114 158 1HE2 GLN 32 1HE2 GLN 32 10.591 0.465 -9.228 159 2HE2 GLN 32 2HE2 GLN 32 12.031 1.371 -8.932 160 H GLN 33 H GLN 33 9.530 -0.318 -4.708 161 HA GLN 33 HA GLN 33 12.196 -0.617 -3.711 162 1HB GLN 33 1HB GLN 33 9.947 1.286 -3.262 163 2HB GLN 33 2HB GLN 33 11.227 1.219 -2.058 164 1HG GLN 33 1HG GLN 33 12.781 1.445 -4.155 165 2HG GLN 33 2HG GLN 33 11.328 2.120 -4.891 166 1HE2 GLN 33 1HE2 GLN 33 12.101 4.183 -5.064 167 2HE2 GLN 33 2HE2 GLN 33 12.403 5.201 -3.700 168 H LEU 34 H LEU 34 8.964 -1.249 -2.422 169 HA LEU 34 HA LEU 34 9.759 -1.821 0.219 170 1HB LEU 34 1HB LEU 34 7.365 -2.521 -1.433 171 2HB LEU 34 2HB LEU 34 7.575 -3.241 0.150 172 HG LEU 34 HG LEU 34 7.310 -0.301 -0.468 173 1HD1 LEU 34 1HD1 LEU 34 5.205 -0.410 0.508 174 2HD1 LEU 34 2HD1 LEU 34 5.543 -1.951 1.295 175 3HD1 LEU 34 3HD1 LEU 34 5.285 -1.890 -0.447 176 1HD2 LEU 34 1HD2 LEU 34 7.290 -0.100 2.051 177 2HD2 LEU 34 2HD2 LEU 34 8.859 -0.436 1.316 178 3HD2 LEU 34 3HD2 LEU 34 7.955 -1.733 2.098 179 H SER 35 H SER 35 9.419 -3.867 -2.638 180 HA SER 35 HA SER 35 9.892 -6.318 -1.309 181 1HB SER 35 1HB SER 35 9.734 -5.392 -4.109 182 2HB SER 35 2HB SER 35 10.730 -6.823 -3.849 183 HG SER 35 HG SER 35 8.962 -7.840 -2.908 184 H SER 36 H SER 36 12.031 -4.201 -3.215 185 HA SER 36 HA SER 36 14.371 -5.735 -2.759 186 1HB SER 36 1HB SER 36 14.270 -2.794 -3.442 187 2HB SER 36 2HB SER 36 15.563 -3.940 -3.798 188 HG SER 36 HG SER 36 13.403 -3.353 -5.257 189 H GLU 37 H GLU 37 12.972 -2.926 -1.135 190 HA GLU 37 HA GLU 37 15.169 -2.411 0.567 191 1HB GLU 37 1HB GLU 37 13.352 -0.787 0.080 192 2HB GLU 37 2HB GLU 37 12.255 -1.768 1.043 193 1HG GLU 37 1HG GLU 37 12.916 -0.059 2.475 194 2HG GLU 37 2HG GLU 37 13.911 -1.436 2.953 195 H LEU 38 H LEU 38 12.126 -4.170 1.121 196 HA LEU 38 HA LEU 38 13.023 -5.037 3.734 197 1HB LEU 38 1HB LEU 38 10.524 -5.505 2.131 198 2HB LEU 38 2HB LEU 38 10.831 -6.360 3.629 199 HG LEU 38 HG LEU 38 11.098 -3.432 3.803 200 1HD1 LEU 38 1HD1 LEU 38 8.508 -3.372 4.064 201 2HD1 LEU 38 2HD1 LEU 38 8.556 -4.755 2.969 202 3HD1 LEU 38 3HD1 LEU 38 9.238 -3.207 2.467 203 1HD2 LEU 38 1HD2 LEU 38 9.851 -3.827 5.884 204 2HD2 LEU 38 2HD2 LEU 38 11.278 -4.856 5.757 205 3HD2 LEU 38 3HD2 LEU 38 9.677 -5.525 5.443 206 H GLY 39 H GLY 39 13.291 -6.163 0.529 207 1HA GLY 39 1HA GLY 39 14.300 -8.054 -0.307 208 2HA GLY 39 2HA GLY 39 14.743 -8.472 1.341 209 H LEU 40 H LEU 40 11.446 -7.927 0.295 210 HA LEU 40 HA LEU 40 10.910 -10.790 0.730 211 1HB LEU 40 1HB LEU 40 8.488 -9.819 1.088 212 2HB LEU 40 2HB LEU 40 9.657 -9.858 2.394 213 HG LEU 40 HG LEU 40 10.222 -7.438 1.675 214 1HD1 LEU 40 1HD1 LEU 40 8.682 -7.858 -0.423 215 2HD1 LEU 40 2HD1 LEU 40 8.777 -6.273 0.344 216 3HD1 LEU 40 3HD1 LEU 40 7.419 -7.340 0.693 217 1HD2 LEU 40 1HD2 LEU 40 7.826 -8.414 3.150 218 2HD2 LEU 40 2HD2 LEU 40 8.030 -6.682 2.896 219 3HD2 LEU 40 3HD2 LEU 40 9.267 -7.599 3.755 220 H ASN 41 H ASN 41 9.223 -11.757 -0.538 221 HA ASN 41 HA ASN 41 9.272 -10.809 -3.274 222 1HB ASN 41 1HB ASN 41 9.364 -13.301 -2.244 223 2HB ASN 41 2HB ASN 41 7.635 -13.173 -2.553 224 1HD2 ASN 41 1HD2 ASN 41 7.005 -12.512 -4.742 225 2HD2 ASN 41 2HD2 ASN 41 7.966 -13.053 -6.071 226 H GLU 42 H GLU 42 7.339 -10.568 -4.555 227 HA GLU 42 HA GLU 42 5.464 -8.819 -3.544 228 1HB GLU 42 1HB GLU 42 5.930 -9.365 -5.972 229 2HB GLU 42 2HB GLU 42 4.924 -10.794 -5.766 230 1HG GLU 42 1HG GLU 42 3.830 -8.114 -5.054 231 2HG GLU 42 2HG GLU 42 3.924 -8.596 -6.747 232 H ALA 43 H ALA 43 5.521 -12.298 -3.451 233 HA ALA 43 HA ALA 43 2.833 -12.834 -2.860 234 1HB ALA 43 1HB ALA 43 4.987 -14.421 -1.539 235 2HB ALA 43 2HB ALA 43 4.878 -14.433 -3.300 236 3HB ALA 43 3HB ALA 43 3.508 -14.971 -2.329 237 H GLN 44 H GLN 44 5.480 -11.702 -0.904 238 HA GLN 44 HA GLN 44 4.023 -11.915 1.589 239 1HB GLN 44 1HB GLN 44 6.608 -10.488 0.930 240 2HB GLN 44 2HB GLN 44 5.986 -10.791 2.548 241 1HG GLN 44 1HG GLN 44 6.292 -13.179 0.870 242 2HG GLN 44 2HG GLN 44 7.793 -12.349 1.276 243 1HE2 GLN 44 1HE2 GLN 44 7.328 -11.439 3.774 244 2HE2 GLN 44 2HE2 GLN 44 7.084 -12.759 4.862 245 H ILE 45 H ILE 45 4.644 -9.647 -0.929 246 HA ILE 45 HA ILE 45 3.991 -7.250 0.390 247 HB ILE 45 HB ILE 45 3.882 -7.999 -2.531 248 1HG1 ILE 45 1HG1 ILE 45 6.098 -7.999 -1.270 249 2HG1 ILE 45 2HG1 ILE 45 6.021 -6.991 -2.711 250 1HG2 ILE 45 1HG2 ILE 45 3.771 -5.222 -1.381 251 2HG2 ILE 45 2HG2 ILE 45 2.370 -6.096 -1.996 252 3HG2 ILE 45 3HG2 ILE 45 3.693 -5.678 -3.081 253 1HD1 ILE 45 1HD1 ILE 45 5.591 -5.035 -1.233 254 2HD1 ILE 45 2HD1 ILE 45 7.169 -5.792 -1.012 255 3HD1 ILE 45 3HD1 ILE 45 5.876 -6.088 0.152 256 H LYS 46 H LYS 46 1.990 -9.605 -1.395 257 HA LYS 46 HA LYS 46 -0.361 -8.071 -1.464 258 1HB LYS 46 1HB LYS 46 -1.530 -10.074 -1.968 259 2HB LYS 46 2HB LYS 46 0.064 -10.248 -2.688 260 1HG LYS 46 1HG LYS 46 0.694 -11.529 -0.582 261 2HG LYS 46 2HG LYS 46 -1.034 -11.585 -0.238 262 1HD LYS 46 1HD LYS 46 -1.372 -12.610 -2.488 263 2HD LYS 46 2HD LYS 46 0.382 -12.690 -2.660 264 1HE LYS 46 1HE LYS 46 0.249 -13.924 -0.357 265 2HE LYS 46 2HE LYS 46 -1.423 -14.217 -0.835 266 1HZ LYS 46 1HZ LYS 46 0.511 -15.861 -1.478 267 2HZ LYS 46 2HZ LYS 46 0.672 -14.804 -2.789 268 3HZ LYS 46 3HZ LYS 46 -0.799 -15.591 -2.515 269 H ILE 47 H ILE 47 0.808 -10.402 0.928 270 HA ILE 47 HA ILE 47 -1.367 -10.073 2.746 271 HB ILE 47 HB ILE 47 1.259 -11.426 2.738 272 1HG1 ILE 47 1HG1 ILE 47 -0.502 -12.907 4.250 273 2HG1 ILE 47 2HG1 ILE 47 -1.576 -12.039 3.157 274 1HG2 ILE 47 1HG2 ILE 47 1.653 -10.169 4.723 275 2HG2 ILE 47 2HG2 ILE 47 1.197 -11.802 5.212 276 3HG2 ILE 47 3HG2 ILE 47 0.022 -10.490 5.319 277 1HD1 ILE 47 1HD1 ILE 47 -1.177 -13.764 1.792 278 2HD1 ILE 47 2HD1 ILE 47 0.315 -14.207 2.620 279 3HD1 ILE 47 3HD1 ILE 47 0.319 -12.903 1.433 280 H TRP 48 H TRP 48 1.864 -8.761 2.452 281 HA TRP 48 HA TRP 48 2.073 -7.269 4.779 282 1HB TRP 48 1HB TRP 48 3.916 -7.724 3.236 283 2HB TRP 48 2HB TRP 48 3.142 -6.761 1.993 284 HD1 TRP 48 HD1 TRP 48 5.709 -6.572 4.606 285 HE1 TRP 48 HE1 TRP 48 6.493 -4.145 4.898 286 HE3 TRP 48 HE3 TRP 48 1.999 -4.151 2.073 287 HZ2 TRP 48 HZ2 TRP 48 5.675 -1.565 4.189 288 HZ3 TRP 48 HZ3 TRP 48 2.072 -1.705 1.930 289 HH2 TRP 48 HH2 TRP 48 3.879 -0.444 2.954 290 H PHE 49 H PHE 49 0.902 -6.289 1.588 291 HA PHE 49 HA PHE 49 0.128 -3.685 2.445 292 1HB PHE 49 1HB PHE 49 -0.189 -5.272 -0.050 293 2HB PHE 49 2HB PHE 49 -1.278 -3.901 0.198 294 HD1 PHE 49 HD1 PHE 49 -0.457 -1.658 0.271 295 HD2 PHE 49 HD2 PHE 49 2.183 -4.940 -0.246 296 HE1 PHE 49 HE1 PHE 49 1.368 -0.094 -0.316 297 HE2 PHE 49 HE2 PHE 49 4.011 -3.400 -0.838 298 HZ PHE 49 HZ PHE 49 3.612 -0.979 -0.849 299 H GLN 50 H GLN 50 -1.576 -6.707 1.961 300 HA GLN 50 HA GLN 50 -4.146 -5.715 2.460 301 1HB GLN 50 1HB GLN 50 -3.906 -7.845 1.402 302 2HB GLN 50 2HB GLN 50 -2.951 -8.472 2.739 303 1HG GLN 50 1HG GLN 50 -4.749 -9.049 3.906 304 2HG GLN 50 2HG GLN 50 -5.588 -7.544 3.538 305 1HE2 GLN 50 1HE2 GLN 50 -5.321 -10.855 2.867 306 2HE2 GLN 50 2HE2 GLN 50 -6.467 -10.935 1.577 307 H ASN 51 H ASN 51 -1.544 -6.717 4.591 308 HA ASN 51 HA ASN 51 -3.221 -6.783 6.939 309 1HB ASN 51 1HB ASN 51 -0.881 -7.972 6.396 310 2HB ASN 51 2HB ASN 51 -0.272 -6.535 7.210 311 1HD2 ASN 51 1HD2 ASN 51 -2.708 -9.082 7.573 312 2HD2 ASN 51 2HD2 ASN 51 -2.534 -9.243 9.284 313 H LYS 52 H LYS 52 -1.017 -4.512 5.410 314 HA LYS 52 HA LYS 52 -0.942 -2.649 7.553 315 1HB LYS 52 1HB LYS 52 0.642 -2.860 5.525 316 2HB LYS 52 2HB LYS 52 -0.564 -1.916 4.661 317 1HG LYS 52 1HG LYS 52 -0.017 -0.006 5.714 318 2HG LYS 52 2HG LYS 52 0.283 -0.815 7.253 319 1HD LYS 52 1HD LYS 52 2.201 -1.457 5.120 320 2HD LYS 52 2HD LYS 52 2.218 0.225 5.652 321 1HE LYS 52 1HE LYS 52 3.223 -0.301 7.570 322 2HE LYS 52 2HE LYS 52 2.080 -1.605 7.892 323 1HZ LYS 52 1HZ LYS 52 4.714 -1.708 6.664 324 2HZ LYS 52 2HZ LYS 52 3.542 -2.722 5.986 325 3HZ LYS 52 3HZ LYS 52 3.923 -2.851 7.629 326 H ARG 53 H ARG 53 -3.118 -3.184 4.877 327 HA ARG 53 HA ARG 53 -4.440 -0.682 4.958 328 1HB ARG 53 1HB ARG 53 -5.135 -3.383 3.848 329 2HB ARG 53 2HB ARG 53 -6.326 -2.089 3.848 330 1HG ARG 53 1HG ARG 53 -4.518 -0.695 2.675 331 2HG ARG 53 2HG ARG 53 -3.720 -2.243 2.383 332 1HD ARG 53 1HD ARG 53 -6.581 -2.197 1.731 333 2HD ARG 53 2HD ARG 53 -5.590 -1.116 0.754 334 HE ARG 53 HE ARG 53 -4.523 -3.776 0.982 335 1HH1 ARG 53 1HH1 ARG 53 -6.701 -1.709 -0.798 336 2HH1 ARG 53 2HH1 ARG 53 -6.640 -2.674 -2.234 337 1HH2 ARG 53 1HH2 ARG 53 -4.443 -5.045 -0.906 338 2HH2 ARG 53 2HH2 ARG 53 -5.360 -4.568 -2.296 339 H ALA 54 H ALA 54 -4.695 -3.563 6.870 340 HA ALA 54 HA ALA 54 -7.305 -3.128 7.895 341 1HB ALA 54 1HB ALA 54 -4.978 -4.768 8.854 342 2HB ALA 54 2HB ALA 54 -6.461 -5.317 8.074 343 3HB ALA 54 3HB ALA 54 -6.510 -4.698 9.724 344 H LYS 55 H LYS 55 -4.244 -1.710 8.592 345 HA LYS 55 HA LYS 55 -5.328 -0.515 11.055 346 1HB LYS 55 1HB LYS 55 -3.096 -1.908 10.984 347 2HB LYS 55 2HB LYS 55 -2.421 -0.406 10.366 348 1HG LYS 55 1HG LYS 55 -4.045 0.080 12.696 349 2HG LYS 55 2HG LYS 55 -2.795 -1.119 13.029 350 1HD LYS 55 1HD LYS 55 -1.496 0.683 13.393 351 2HD LYS 55 2HD LYS 55 -1.381 0.728 11.633 352 1HE LYS 55 1HE LYS 55 -3.296 2.275 11.572 353 2HE LYS 55 2HE LYS 55 -3.349 2.257 13.334 354 1HZ LYS 55 1HZ LYS 55 -0.783 2.928 12.148 355 2HZ LYS 55 2HZ LYS 55 -1.565 3.599 13.488 356 3HZ LYS 55 3HZ LYS 55 -2.012 4.070 11.927 357 H ILE 56 H ILE 56 -6.493 0.945 9.548 358 HA ILE 56 HA ILE 56 -4.778 3.230 8.842 359 HB ILE 56 HB ILE 56 -7.170 2.354 7.225 360 1HG1 ILE 56 1HG1 ILE 56 -4.230 2.064 6.570 361 2HG1 ILE 56 2HG1 ILE 56 -5.296 0.743 7.040 362 1HG2 ILE 56 1HG2 ILE 56 -6.885 4.190 5.947 363 2HG2 ILE 56 2HG2 ILE 56 -5.130 4.170 6.118 364 3HG2 ILE 56 3HG2 ILE 56 -6.134 4.830 7.409 365 1HD1 ILE 56 1HD1 ILE 56 -6.169 2.371 4.744 366 2HD1 ILE 56 2HD1 ILE 56 -6.266 0.630 5.011 367 3HD1 ILE 56 3HD1 ILE 56 -4.743 1.361 4.503 368 H LYS 57 H LYS 57 -5.401 4.102 10.899 369 HA LYS 57 HA LYS 57 -8.123 5.226 10.873 370 1HB LYS 57 1HB LYS 57 -6.836 3.596 12.892 371 2HB LYS 57 2HB LYS 57 -7.301 5.158 13.550 372 1HG LYS 57 1HG LYS 57 -9.145 3.801 13.948 373 2HG LYS 57 2HG LYS 57 -9.592 4.713 12.503 374 1HD LYS 57 1HD LYS 57 -10.212 2.485 12.054 375 2HD LYS 57 2HD LYS 57 -8.704 2.737 11.171 376 1HE LYS 57 1HE LYS 57 -8.101 0.804 12.154 377 2HE LYS 57 2HE LYS 57 -7.746 1.846 13.531 378 1HZ LYS 57 1HZ LYS 57 -9.065 -0.035 14.218 379 2HZ LYS 57 2HZ LYS 57 -10.262 0.333 13.083 380 3HZ LYS 57 3HZ LYS 57 -9.980 1.380 14.380 381 H LYS 58 H LYS 58 -7.892 7.311 10.393 382 HA LYS 58 HA LYS 58 -5.996 8.891 11.976 383 1HB LYS 58 1HB LYS 58 -5.457 10.226 9.925 384 2HB LYS 58 2HB LYS 58 -4.838 8.582 9.905 385 1HG LYS 58 1HG LYS 58 -5.767 8.364 7.905 386 2HG LYS 58 2HG LYS 58 -7.334 8.383 8.715 387 1HD LYS 58 1HD LYS 58 -6.730 11.048 8.555 388 2HD LYS 58 2HD LYS 58 -6.048 10.420 7.053 389 1HE LYS 58 1HE LYS 58 -8.890 10.233 8.022 390 2HE LYS 58 2HE LYS 58 -8.286 11.055 6.584 391 1HZ LYS 58 1HZ LYS 58 -9.272 9.022 5.902 392 2HZ LYS 58 2HZ LYS 58 -8.416 8.129 7.057 393 3HZ LYS 58 3HZ LYS 58 -7.597 8.827 5.753 394 H SER 59 H SER 59 -6.440 11.356 11.344 395 HA SER 59 HA SER 59 -9.330 11.790 11.109 396 1HB SER 59 1HB SER 59 -8.342 11.746 13.562 397 2HB SER 59 2HB SER 59 -7.828 13.381 13.148 398 HG SER 59 HG SER 59 -9.860 13.505 14.047 Start of MODEL 15 1 1H ALA 16 1H ALA 16 -16.578 8.792 -4.223 2 2H ALA 16 2H ALA 16 -17.073 10.167 -3.321 3 3H ALA 16 3H ALA 16 -16.456 8.784 -2.513 4 HA ALA 16 HA ALA 16 -14.933 10.704 -2.727 5 1HB ALA 16 1HB ALA 16 -14.407 8.163 -2.432 6 2HB ALA 16 2HB ALA 16 -13.108 9.305 -2.780 7 3HB ALA 16 3HB ALA 16 -13.774 8.306 -4.071 8 H LYS 17 H LYS 17 -15.158 12.361 -4.153 9 HA LYS 17 HA LYS 17 -14.692 11.798 -6.999 10 1HB LYS 17 1HB LYS 17 -16.391 13.672 -5.555 11 2HB LYS 17 2HB LYS 17 -15.421 14.470 -6.786 12 1HG LYS 17 1HG LYS 17 -17.355 13.916 -7.920 13 2HG LYS 17 2HG LYS 17 -16.259 12.600 -8.346 14 1HD LYS 17 1HD LYS 17 -17.832 12.135 -5.913 15 2HD LYS 17 2HD LYS 17 -18.791 12.277 -7.388 16 1HE LYS 17 1HE LYS 17 -17.932 10.374 -8.292 17 2HE LYS 17 2HE LYS 17 -16.365 10.581 -7.510 18 1HZ LYS 17 1HZ LYS 17 -17.933 10.134 -5.401 19 2HZ LYS 17 2HZ LYS 17 -17.109 8.911 -6.228 20 3HZ LYS 17 3HZ LYS 17 -18.738 9.208 -6.567 21 H ARG 18 H ARG 18 -12.394 11.559 -6.573 22 HA ARG 18 HA ARG 18 -11.050 14.173 -6.509 23 1HB ARG 18 1HB ARG 18 -9.947 11.681 -5.207 24 2HB ARG 18 2HB ARG 18 -9.264 13.300 -5.152 25 1HG ARG 18 1HG ARG 18 -11.151 14.077 -3.840 26 2HG ARG 18 2HG ARG 18 -11.894 12.479 -3.936 27 1HD ARG 18 1HD ARG 18 -9.464 11.827 -2.965 28 2HD ARG 18 2HD ARG 18 -9.654 13.439 -2.275 29 HE ARG 18 HE ARG 18 -12.010 12.231 -1.703 30 1HH1 ARG 18 1HH1 ARG 18 -8.674 11.352 -1.173 31 2HH1 ARG 18 2HH1 ARG 18 -9.010 10.451 0.267 32 1HH2 ARG 18 1HH2 ARG 18 -12.453 11.047 0.190 33 2HH2 ARG 18 2HH2 ARG 18 -11.156 10.277 1.041 34 H GLU 19 H GLU 19 -8.852 14.101 -7.468 35 HA GLU 19 HA GLU 19 -8.673 12.057 -9.584 36 1HB GLU 19 1HB GLU 19 -8.169 15.025 -9.728 37 2HB GLU 19 2HB GLU 19 -7.532 13.910 -10.929 38 1HG GLU 19 1HG GLU 19 -10.124 13.168 -10.906 39 2HG GLU 19 2HG GLU 19 -10.272 14.879 -10.508 40 H PHE 20 H PHE 20 -7.249 10.808 -8.320 41 HA PHE 20 HA PHE 20 -4.497 11.748 -8.426 42 1HB PHE 20 1HB PHE 20 -3.997 11.245 -6.127 43 2HB PHE 20 2HB PHE 20 -5.370 12.347 -6.151 44 HD1 PHE 20 HD1 PHE 20 -4.410 8.800 -5.762 45 HD2 PHE 20 HD2 PHE 20 -7.411 11.752 -5.150 46 HE1 PHE 20 HE1 PHE 20 -5.684 7.210 -4.386 47 HE2 PHE 20 HE2 PHE 20 -8.693 10.168 -3.770 48 HZ PHE 20 HZ PHE 20 -7.830 7.893 -3.385 49 H ASN 21 H ASN 21 -3.077 9.823 -7.432 50 HA ASN 21 HA ASN 21 -3.639 7.562 -9.116 51 1HB ASN 21 1HB ASN 21 -1.414 7.935 -7.109 52 2HB ASN 21 2HB ASN 21 -1.483 6.727 -8.387 53 1HD2 ASN 21 1HD2 ASN 21 0.558 7.593 -9.064 54 2HD2 ASN 21 2HD2 ASN 21 0.606 9.017 -10.042 55 H GLU 22 H GLU 22 -5.315 6.335 -8.399 56 HA GLU 22 HA GLU 22 -5.999 5.823 -5.747 57 1HB GLU 22 1HB GLU 22 -6.800 4.887 -8.340 58 2HB GLU 22 2HB GLU 22 -6.672 3.516 -7.244 59 1HG GLU 22 1HG GLU 22 -8.505 4.098 -6.127 60 2HG GLU 22 2HG GLU 22 -8.027 5.794 -6.050 61 H ASN 23 H ASN 23 -4.117 3.807 -7.982 62 HA ASN 23 HA ASN 23 -2.541 2.823 -5.748 63 1HB ASN 23 1HB ASN 23 -3.652 0.806 -7.666 64 2HB ASN 23 2HB ASN 23 -2.902 0.548 -6.097 65 1HD2 ASN 23 1HD2 ASN 23 -4.097 1.051 -4.208 66 2HD2 ASN 23 2HD2 ASN 23 -5.824 1.080 -4.237 67 H ARG 24 H ARG 24 -1.011 4.124 -6.769 68 HA ARG 24 HA ARG 24 0.609 2.736 -8.688 69 1HB ARG 24 1HB ARG 24 -0.628 5.401 -9.434 70 2HB ARG 24 2HB ARG 24 0.663 4.605 -10.326 71 1HG ARG 24 1HG ARG 24 -0.954 2.649 -10.579 72 2HG ARG 24 2HG ARG 24 -2.201 3.773 -10.034 73 1HD ARG 24 1HD ARG 24 -1.705 5.265 -11.875 74 2HD ARG 24 2HD ARG 24 -0.373 4.233 -12.389 75 HE ARG 24 HE ARG 24 -2.795 2.770 -12.321 76 1HH1 ARG 24 1HH1 ARG 24 -1.097 5.178 -14.191 77 2HH1 ARG 24 2HH1 ARG 24 -1.873 4.750 -15.679 78 1HH2 ARG 24 1HH2 ARG 24 -3.818 2.207 -14.278 79 2HH2 ARG 24 2HH2 ARG 24 -3.417 3.065 -15.729 80 H TYR 25 H TYR 25 0.046 6.014 -7.455 81 HA TYR 25 HA TYR 25 2.518 7.067 -7.350 82 1HB TYR 25 1HB TYR 25 1.789 8.406 -5.438 83 2HB TYR 25 2HB TYR 25 0.486 8.237 -6.609 84 HD1 TYR 25 HD1 TYR 25 -1.022 6.012 -6.107 85 HD2 TYR 25 HD2 TYR 25 1.172 8.246 -3.225 86 HE1 TYR 25 HE1 TYR 25 -2.489 5.155 -4.338 87 HE2 TYR 25 HE2 TYR 25 -0.303 7.405 -1.449 88 HH TYR 25 HH TYR 25 -2.841 6.484 -1.444 89 H LEU 26 H LEU 26 1.158 5.011 -4.781 90 HA LEU 26 HA LEU 26 3.905 4.542 -3.840 91 1HB LEU 26 1HB LEU 26 3.228 4.602 -1.644 92 2HB LEU 26 2HB LEU 26 2.176 5.811 -2.355 93 HG LEU 26 HG LEU 26 0.476 3.843 -2.563 94 1HD1 LEU 26 1HD1 LEU 26 0.906 1.911 -1.543 95 2HD1 LEU 26 2HD1 LEU 26 1.512 2.718 -0.097 96 3HD1 LEU 26 3HD1 LEU 26 2.587 2.438 -1.465 97 1HD2 LEU 26 1HD2 LEU 26 0.844 5.895 -0.777 98 2HD2 LEU 26 2HD2 LEU 26 0.696 4.486 0.273 99 3HD2 LEU 26 3HD2 LEU 26 -0.581 4.863 -0.881 100 H THR 27 H THR 27 0.810 3.157 -4.652 101 HA THR 27 HA THR 27 0.998 0.607 -3.699 102 HB THR 27 HB THR 27 -0.126 1.651 -6.287 103 HG1 THR 27 HG1 THR 27 -1.106 2.200 -4.244 104 1HG2 THR 27 1HG2 THR 27 -1.444 -0.720 -5.713 105 2HG2 THR 27 2HG2 THR 27 0.271 -1.109 -5.588 106 3HG2 THR 27 3HG2 THR 27 -0.367 -0.399 -7.071 107 H GLU 28 H GLU 28 1.449 0.782 -7.173 108 HA GLU 28 HA GLU 28 3.252 -1.360 -7.256 109 1HB GLU 28 1HB GLU 28 2.902 0.766 -9.366 110 2HB GLU 28 2HB GLU 28 3.476 -0.880 -9.603 111 1HG GLU 28 1HG GLU 28 0.977 -1.133 -8.382 112 2HG GLU 28 2HG GLU 28 0.790 0.142 -9.585 113 H ARG 29 H ARG 29 3.794 2.109 -7.106 114 HA ARG 29 HA ARG 29 6.504 2.110 -7.851 115 1HB ARG 29 1HB ARG 29 4.590 4.000 -6.879 116 2HB ARG 29 2HB ARG 29 6.079 4.186 -5.961 117 1HG ARG 29 1HG ARG 29 6.958 5.333 -7.633 118 2HG ARG 29 2HG ARG 29 6.797 3.924 -8.682 119 1HD ARG 29 1HD ARG 29 4.242 4.904 -8.624 120 2HD ARG 29 2HD ARG 29 5.208 6.377 -8.563 121 HE ARG 29 HE ARG 29 6.081 4.547 -10.587 122 1HH1 ARG 29 1HH1 ARG 29 3.798 7.080 -9.847 123 2HH1 ARG 29 2HH1 ARG 29 3.577 7.537 -11.502 124 1HH2 ARG 29 1HH2 ARG 29 5.793 5.147 -12.766 125 2HH2 ARG 29 2HH2 ARG 29 4.710 6.439 -13.160 126 H ARG 30 H ARG 30 4.993 2.015 -4.636 127 HA ARG 30 HA ARG 30 7.547 1.696 -3.334 128 1HB ARG 30 1HB ARG 30 5.233 2.729 -2.467 129 2HB ARG 30 2HB ARG 30 5.041 1.088 -1.865 130 1HG ARG 30 1HG ARG 30 7.206 1.297 -0.701 131 2HG ARG 30 2HG ARG 30 7.309 2.970 -1.251 132 1HD ARG 30 1HD ARG 30 4.769 2.386 0.026 133 2HD ARG 30 2HD ARG 30 6.137 2.070 1.091 134 HE ARG 30 HE ARG 30 6.699 4.509 0.069 135 1HH1 ARG 30 1HH1 ARG 30 3.893 3.172 1.655 136 2HH1 ARG 30 2HH1 ARG 30 3.411 4.683 2.349 137 1HH2 ARG 30 1HH2 ARG 30 6.066 6.498 0.979 138 2HH2 ARG 30 2HH2 ARG 30 4.643 6.573 1.964 139 H ARG 31 H ARG 31 5.118 -0.380 -4.633 140 HA ARG 31 HA ARG 31 5.557 -2.693 -3.108 141 1HB ARG 31 1HB ARG 31 4.245 -2.006 -5.628 142 2HB ARG 31 2HB ARG 31 4.934 -3.624 -5.639 143 1HG ARG 31 1HG ARG 31 3.613 -4.314 -3.822 144 2HG ARG 31 2HG ARG 31 3.162 -2.656 -3.420 145 1HD ARG 31 1HD ARG 31 1.314 -3.792 -4.507 146 2HD ARG 31 2HD ARG 31 1.923 -2.495 -5.532 147 HE ARG 31 HE ARG 31 2.488 -4.057 -7.098 148 1HH1 ARG 31 1HH1 ARG 31 2.013 -5.672 -4.042 149 2HH1 ARG 31 2HH1 ARG 31 2.155 -7.260 -4.716 150 1HH2 ARG 31 1HH2 ARG 31 2.675 -6.145 -7.988 151 2HH2 ARG 31 2HH2 ARG 31 2.532 -7.529 -6.956 152 H GLN 32 H GLN 32 7.120 -1.518 -6.061 153 HA GLN 32 HA GLN 32 8.801 -3.799 -6.372 154 1HB GLN 32 1HB GLN 32 8.697 -1.062 -7.583 155 2HB GLN 32 2HB GLN 32 10.114 -2.070 -7.843 156 1HG GLN 32 1HG GLN 32 7.280 -2.810 -8.536 157 2HG GLN 32 2HG GLN 32 8.512 -2.260 -9.671 158 1HE2 GLN 32 1HE2 GLN 32 10.175 -3.640 -10.249 159 2HE2 GLN 32 2HE2 GLN 32 10.133 -5.335 -9.918 160 H GLN 33 H GLN 33 9.188 -0.630 -4.875 161 HA GLN 33 HA GLN 33 11.963 -0.985 -4.277 162 1HB GLN 33 1HB GLN 33 9.956 0.950 -3.109 163 2HB GLN 33 2HB GLN 33 11.702 1.048 -2.917 164 1HG GLN 33 1HG GLN 33 11.634 1.042 -5.556 165 2HG GLN 33 2HG GLN 33 10.009 1.665 -5.274 166 1HE2 GLN 33 1HE2 GLN 33 9.757 3.746 -4.742 167 2HE2 GLN 33 2HE2 GLN 33 11.050 4.856 -4.450 168 H LEU 34 H LEU 34 8.945 -1.595 -2.615 169 HA LEU 34 HA LEU 34 9.976 -1.963 -0.020 170 1HB LEU 34 1HB LEU 34 7.489 -2.767 -1.445 171 2HB LEU 34 2HB LEU 34 7.856 -3.549 0.081 172 HG LEU 34 HG LEU 34 7.496 -0.586 -0.360 173 1HD1 LEU 34 1HD1 LEU 34 5.424 -0.768 0.622 174 2HD1 LEU 34 2HD1 LEU 34 5.818 -2.289 1.422 175 3HD1 LEU 34 3HD1 LEU 34 5.501 -2.261 -0.312 176 1HD2 LEU 34 1HD2 LEU 34 7.569 -0.590 2.188 177 2HD2 LEU 34 2HD2 LEU 34 9.104 -0.765 1.339 178 3HD2 LEU 34 3HD2 LEU 34 8.323 -2.178 2.048 179 H SER 35 H SER 35 9.512 -4.195 -2.721 180 HA SER 35 HA SER 35 10.156 -6.560 -1.354 181 1HB SER 35 1HB SER 35 9.112 -6.642 -3.542 182 2HB SER 35 2HB SER 35 10.501 -5.838 -4.274 183 HG SER 35 HG SER 35 11.712 -7.642 -3.977 184 H SER 36 H SER 36 12.201 -4.473 -3.387 185 HA SER 36 HA SER 36 14.601 -5.876 -2.836 186 1HB SER 36 1HB SER 36 13.865 -3.333 -4.184 187 2HB SER 36 2HB SER 36 15.530 -3.484 -3.624 188 HG SER 36 HG SER 36 15.463 -5.593 -4.766 189 H GLU 37 H GLU 37 13.072 -3.042 -1.388 190 HA GLU 37 HA GLU 37 15.277 -2.334 0.256 191 1HB GLU 37 1HB GLU 37 13.399 -0.810 -0.409 192 2HB GLU 37 2HB GLU 37 12.365 -1.681 0.715 193 1HG GLU 37 1HG GLU 37 13.246 -0.670 2.511 194 2HG GLU 37 2HG GLU 37 14.883 -0.704 1.857 195 H LEU 38 H LEU 38 12.194 -3.961 1.021 196 HA LEU 38 HA LEU 38 13.170 -4.657 3.658 197 1HB LEU 38 1HB LEU 38 10.573 -5.035 2.209 198 2HB LEU 38 2HB LEU 38 10.898 -5.924 3.684 199 HG LEU 38 HG LEU 38 11.291 -3.718 4.828 200 1HD1 LEU 38 1HD1 LEU 38 10.475 -2.749 2.124 201 2HD1 LEU 38 2HD1 LEU 38 11.755 -2.165 3.187 202 3HD1 LEU 38 3HD1 LEU 38 10.068 -1.809 3.559 203 1HD2 LEU 38 1HD2 LEU 38 8.901 -3.184 5.010 204 2HD2 LEU 38 2HD2 LEU 38 9.200 -4.921 5.088 205 3HD2 LEU 38 3HD2 LEU 38 8.577 -4.200 3.604 206 H GLY 39 H GLY 39 13.362 -6.019 0.571 207 1HA GLY 39 1HA GLY 39 14.247 -8.025 -0.131 208 2HA GLY 39 2HA GLY 39 14.642 -8.367 1.549 209 H LEU 40 H LEU 40 11.421 -7.629 0.421 210 HA LEU 40 HA LEU 40 10.558 -10.297 1.275 211 1HB LEU 40 1HB LEU 40 9.361 -7.609 1.263 212 2HB LEU 40 2HB LEU 40 8.266 -8.904 0.814 213 HG LEU 40 HG LEU 40 9.829 -8.745 3.390 214 1HD1 LEU 40 1HD1 LEU 40 8.189 -7.212 3.752 215 2HD1 LEU 40 2HD1 LEU 40 7.285 -8.675 4.145 216 3HD1 LEU 40 3HD1 LEU 40 7.102 -7.925 2.556 217 1HD2 LEU 40 1HD2 LEU 40 8.330 -10.891 2.065 218 2HD2 LEU 40 2HD2 LEU 40 7.859 -10.593 3.739 219 3HD2 LEU 40 3HD2 LEU 40 9.536 -10.973 3.348 220 H ASN 41 H ASN 41 9.008 -11.454 0.057 221 HA ASN 41 HA ASN 41 9.381 -11.181 -2.812 222 1HB ASN 41 1HB ASN 41 9.577 -13.417 -1.818 223 2HB ASN 41 2HB ASN 41 7.939 -13.292 -1.182 224 1HD2 ASN 41 1HD2 ASN 41 9.170 -12.332 -4.344 225 2HD2 ASN 41 2HD2 ASN 41 8.176 -13.411 -5.257 226 H GLU 42 H GLU 42 7.652 -10.877 -4.279 227 HA GLU 42 HA GLU 42 5.716 -9.030 -3.602 228 1HB GLU 42 1HB GLU 42 5.544 -11.120 -5.788 229 2HB GLU 42 2HB GLU 42 4.585 -9.649 -5.702 230 1HG GLU 42 1HG GLU 42 6.503 -8.283 -6.041 231 2HG GLU 42 2HG GLU 42 7.587 -9.663 -5.859 232 H ALA 43 H ALA 43 5.652 -12.513 -3.380 233 HA ALA 43 HA ALA 43 2.892 -12.903 -2.983 234 1HB ALA 43 1HB ALA 43 4.980 -14.569 -3.254 235 2HB ALA 43 2HB ALA 43 3.420 -15.071 -2.600 236 3HB ALA 43 3HB ALA 43 4.746 -14.669 -1.509 237 H GLN 44 H GLN 44 5.515 -12.102 -0.777 238 HA GLN 44 HA GLN 44 3.884 -12.253 1.593 239 1HB GLN 44 1HB GLN 44 6.662 -11.295 0.964 240 2HB GLN 44 2HB GLN 44 5.932 -10.929 2.520 241 1HG GLN 44 1HG GLN 44 6.283 -13.703 1.409 242 2HG GLN 44 2HG GLN 44 7.379 -12.928 2.552 243 1HE2 GLN 44 1HE2 GLN 44 5.690 -11.708 4.278 244 2HE2 GLN 44 2HE2 GLN 44 4.724 -12.878 5.103 245 H ILE 45 H ILE 45 4.826 -9.918 -0.755 246 HA ILE 45 HA ILE 45 4.188 -7.564 0.637 247 HB ILE 45 HB ILE 45 4.389 -8.194 -2.298 248 1HG1 ILE 45 1HG1 ILE 45 6.306 -7.904 -0.320 249 2HG1 ILE 45 2HG1 ILE 45 6.586 -7.760 -2.053 250 1HG2 ILE 45 1HG2 ILE 45 4.013 -5.489 -1.028 251 2HG2 ILE 45 2HG2 ILE 45 2.839 -6.329 -2.040 252 3HG2 ILE 45 3HG2 ILE 45 4.369 -5.786 -2.727 253 1HD1 ILE 45 1HD1 ILE 45 7.523 -5.913 -0.706 254 2HD1 ILE 45 2HD1 ILE 45 5.878 -5.450 -0.261 255 3HD1 ILE 45 3HD1 ILE 45 6.389 -5.389 -1.950 256 H LYS 46 H LYS 46 2.256 -9.714 -1.421 257 HA LYS 46 HA LYS 46 -0.021 -8.124 -1.702 258 1HB LYS 46 1HB LYS 46 0.568 -10.485 -2.681 259 2HB LYS 46 2HB LYS 46 -0.262 -11.080 -1.249 260 1HG LYS 46 1HG LYS 46 -2.229 -9.671 -1.936 261 2HG LYS 46 2HG LYS 46 -1.390 -9.391 -3.463 262 1HD LYS 46 1HD LYS 46 -1.807 -11.474 -4.220 263 2HD LYS 46 2HD LYS 46 -1.566 -12.207 -2.633 264 1HE LYS 46 1HE LYS 46 -3.755 -12.183 -2.173 265 2HE LYS 46 2HE LYS 46 -3.946 -10.532 -2.763 266 1HZ LYS 46 1HZ LYS 46 -3.663 -11.769 -5.063 267 2HZ LYS 46 2HZ LYS 46 -5.169 -11.624 -4.308 268 3HZ LYS 46 3HZ LYS 46 -4.293 -13.064 -4.175 269 H ILE 47 H ILE 47 0.841 -10.458 0.808 270 HA ILE 47 HA ILE 47 -1.458 -10.024 2.444 271 HB ILE 47 HB ILE 47 1.116 -11.458 2.661 272 1HG1 ILE 47 1HG1 ILE 47 -0.751 -12.920 4.006 273 2HG1 ILE 47 2HG1 ILE 47 -1.775 -11.978 2.927 274 1HG2 ILE 47 1HG2 ILE 47 0.812 -11.809 5.132 275 2HG2 ILE 47 2HG2 ILE 47 -0.295 -10.437 5.115 276 3HG2 ILE 47 3HG2 ILE 47 1.396 -10.211 4.660 277 1HD1 ILE 47 1HD1 ILE 47 -1.370 -13.515 1.387 278 2HD1 ILE 47 2HD1 ILE 47 -0.101 -14.254 2.363 279 3HD1 ILE 47 3HD1 ILE 47 0.278 -12.894 1.305 280 H TRP 48 H TRP 48 1.791 -8.796 2.318 281 HA TRP 48 HA TRP 48 1.966 -7.316 4.649 282 1HB TRP 48 1HB TRP 48 3.826 -7.822 3.127 283 2HB TRP 48 2HB TRP 48 3.111 -6.796 1.900 284 HD1 TRP 48 HD1 TRP 48 5.587 -6.761 4.625 285 HE1 TRP 48 HE1 TRP 48 6.454 -4.372 4.977 286 HE3 TRP 48 HE3 TRP 48 2.097 -4.172 1.949 287 HZ2 TRP 48 HZ2 TRP 48 5.775 -1.754 4.256 288 HZ3 TRP 48 HZ3 TRP 48 2.277 -1.729 1.833 289 HH2 TRP 48 HH2 TRP 48 4.086 -0.550 2.952 290 H PHE 49 H PHE 49 0.901 -6.292 1.433 291 HA PHE 49 HA PHE 49 0.212 -3.667 2.281 292 1HB PHE 49 1HB PHE 49 -0.149 -5.227 -0.227 293 2HB PHE 49 2HB PHE 49 -1.149 -3.788 0.012 294 HD1 PHE 49 HD1 PHE 49 -0.175 -1.597 0.113 295 HD2 PHE 49 HD2 PHE 49 2.243 -5.051 -0.390 296 HE1 PHE 49 HE1 PHE 49 1.761 -0.161 -0.433 297 HE2 PHE 49 HE2 PHE 49 4.179 -3.632 -0.942 298 HZ PHE 49 HZ PHE 49 3.948 -1.193 -0.938 299 H GLN 50 H GLN 50 -1.644 -6.614 1.784 300 HA GLN 50 HA GLN 50 -4.152 -5.441 2.275 301 1HB GLN 50 1HB GLN 50 -3.143 -8.274 2.438 302 2HB GLN 50 2HB GLN 50 -4.801 -7.867 2.859 303 1HG GLN 50 1HG GLN 50 -4.457 -6.652 0.415 304 2HG GLN 50 2HG GLN 50 -3.549 -8.154 0.255 305 1HE2 GLN 50 1HE2 GLN 50 -4.699 -10.143 0.874 306 2HE2 GLN 50 2HE2 GLN 50 -6.389 -10.250 0.534 307 H ASN 51 H ASN 51 -1.630 -6.664 4.374 308 HA ASN 51 HA ASN 51 -3.284 -6.674 6.734 309 1HB ASN 51 1HB ASN 51 -0.488 -7.333 6.068 310 2HB ASN 51 2HB ASN 51 -0.727 -6.678 7.685 311 1HD2 ASN 51 1HD2 ASN 51 -1.867 -9.163 5.457 312 2HD2 ASN 51 2HD2 ASN 51 -2.294 -10.312 6.674 313 H LYS 52 H LYS 52 -1.009 -4.482 5.204 314 HA LYS 52 HA LYS 52 -0.805 -2.659 7.371 315 1HB LYS 52 1HB LYS 52 0.546 -2.976 5.046 316 2HB LYS 52 2HB LYS 52 -0.476 -1.606 4.628 317 1HG LYS 52 1HG LYS 52 1.428 -0.590 5.440 318 2HG LYS 52 2HG LYS 52 0.371 -0.598 6.853 319 1HD LYS 52 1HD LYS 52 1.662 -3.013 7.054 320 2HD LYS 52 2HD LYS 52 2.918 -1.958 6.402 321 1HE LYS 52 1HE LYS 52 3.261 -1.226 8.473 322 2HE LYS 52 2HE LYS 52 1.678 -0.455 8.395 323 1HZ LYS 52 1HZ LYS 52 0.935 -2.892 9.049 324 2HZ LYS 52 2HZ LYS 52 1.365 -1.742 10.213 325 3HZ LYS 52 3HZ LYS 52 2.482 -2.919 9.735 326 H ARG 53 H ARG 53 -3.086 -3.083 4.772 327 HA ARG 53 HA ARG 53 -4.325 -0.500 5.174 328 1HB ARG 53 1HB ARG 53 -4.171 -2.098 3.013 329 2HB ARG 53 2HB ARG 53 -5.737 -2.601 3.635 330 1HG ARG 53 1HG ARG 53 -6.403 -0.187 3.652 331 2HG ARG 53 2HG ARG 53 -4.896 0.164 2.804 332 1HD ARG 53 1HD ARG 53 -5.580 -1.368 1.004 333 2HD ARG 53 2HD ARG 53 -7.103 -1.655 1.845 334 HE ARG 53 HE ARG 53 -6.426 0.605 0.232 335 1HH1 ARG 53 1HH1 ARG 53 -8.352 -0.440 2.948 336 2HH1 ARG 53 2HH1 ARG 53 -9.535 0.810 2.749 337 1HH2 ARG 53 1HH2 ARG 53 -7.981 2.249 -0.031 338 2HH2 ARG 53 2HH2 ARG 53 -9.325 2.335 1.059 339 H ALA 54 H ALA 54 -4.328 -3.138 7.045 340 HA ALA 54 HA ALA 54 -7.165 -3.389 7.529 341 1HB ALA 54 1HB ALA 54 -5.267 -4.497 9.495 342 2HB ALA 54 2HB ALA 54 -5.125 -5.114 7.848 343 3HB ALA 54 3HB ALA 54 -6.658 -5.244 8.709 344 H LYS 55 H LYS 55 -4.387 -2.416 9.552 345 HA LYS 55 HA LYS 55 -6.016 -1.304 11.595 346 1HB LYS 55 1HB LYS 55 -3.913 -0.403 12.494 347 2HB LYS 55 2HB LYS 55 -3.759 -2.100 12.060 348 1HG LYS 55 1HG LYS 55 -1.899 -1.487 11.004 349 2HG LYS 55 2HG LYS 55 -2.971 -0.834 9.764 350 1HD LYS 55 1HD LYS 55 -1.758 1.044 10.172 351 2HD LYS 55 2HD LYS 55 -2.968 1.242 11.443 352 1HE LYS 55 1HE LYS 55 -0.747 1.619 12.338 353 2HE LYS 55 2HE LYS 55 -1.445 0.160 13.038 354 1HZ LYS 55 1HZ LYS 55 0.073 -1.152 12.043 355 2HZ LYS 55 2HZ LYS 55 1.004 0.260 12.034 356 3HZ LYS 55 3HZ LYS 55 0.163 -0.205 10.643 357 H ILE 56 H ILE 56 -4.559 -0.029 8.688 358 HA ILE 56 HA ILE 56 -4.805 1.954 7.599 359 HB ILE 56 HB ILE 56 -7.005 2.567 9.574 360 1HG1 ILE 56 1HG1 ILE 56 -7.706 1.553 6.894 361 2HG1 ILE 56 2HG1 ILE 56 -6.955 0.369 7.958 362 1HG2 ILE 56 1HG2 ILE 56 -6.217 4.474 8.252 363 2HG2 ILE 56 2HG2 ILE 56 -7.864 4.014 7.821 364 3HG2 ILE 56 3HG2 ILE 56 -6.521 3.565 6.771 365 1HD1 ILE 56 1HD1 ILE 56 -8.684 1.036 9.682 366 2HD1 ILE 56 2HD1 ILE 56 -9.264 0.143 8.275 367 3HD1 ILE 56 3HD1 ILE 56 -9.505 1.887 8.373 368 H LYS 57 H LYS 57 -2.930 3.000 8.032 369 HA LYS 57 HA LYS 57 -2.481 4.282 10.585 370 1HB LYS 57 1HB LYS 57 -0.888 3.734 8.147 371 2HB LYS 57 2HB LYS 57 -0.434 5.160 9.067 372 1HG LYS 57 1HG LYS 57 -0.848 2.771 10.702 373 2HG LYS 57 2HG LYS 57 0.467 2.635 9.533 374 1HD LYS 57 1HD LYS 57 0.933 5.109 10.533 375 2HD LYS 57 2HD LYS 57 0.237 4.310 11.944 376 1HE LYS 57 1HE LYS 57 2.116 3.177 12.306 377 2HE LYS 57 2HE LYS 57 2.136 2.581 10.647 378 1HZ LYS 57 1HZ LYS 57 3.034 5.319 11.291 379 2HZ LYS 57 2HZ LYS 57 3.403 4.376 9.937 380 3HZ LYS 57 3HZ LYS 57 4.084 4.001 11.438 381 H LYS 58 H LYS 58 -1.616 6.598 10.531 382 HA LYS 58 HA LYS 58 -2.462 8.392 8.523 383 1HB LYS 58 1HB LYS 58 -4.632 7.554 9.810 384 2HB LYS 58 2HB LYS 58 -4.131 8.782 10.964 385 1HG LYS 58 1HG LYS 58 -4.890 10.423 9.677 386 2HG LYS 58 2HG LYS 58 -4.055 9.790 8.257 387 1HD LYS 58 1HD LYS 58 -6.099 8.001 8.553 388 2HD LYS 58 2HD LYS 58 -6.852 9.506 9.086 389 1HE LYS 58 1HE LYS 58 -6.783 10.426 7.022 390 2HE LYS 58 2HE LYS 58 -5.237 9.677 6.625 391 1HZ LYS 58 1HZ LYS 58 -7.648 8.004 6.822 392 2HZ LYS 58 2HZ LYS 58 -6.249 7.763 5.902 393 3HZ LYS 58 3HZ LYS 58 -7.386 8.919 5.423 394 H SER 59 H SER 59 -2.382 10.717 9.349 395 HA SER 59 HA SER 59 -0.947 11.179 11.795 396 1HB SER 59 1HB SER 59 1.099 12.029 10.831 397 2HB SER 59 2HB SER 59 0.849 10.386 10.240 398 HG SER 59 HG SER 59 0.312 11.158 8.276 Start of MODEL 16 1 1H ALA 16 1H ALA 16 -14.165 19.424 -2.207 2 2H ALA 16 2H ALA 16 -13.972 19.748 -3.881 3 3H ALA 16 3H ALA 16 -13.223 18.373 -3.177 4 HA ALA 16 HA ALA 16 -15.574 17.718 -2.536 5 1HB ALA 16 1HB ALA 16 -16.085 19.601 -4.835 6 2HB ALA 16 2HB ALA 16 -16.610 19.830 -3.167 7 3HB ALA 16 3HB ALA 16 -17.263 18.499 -4.122 8 H LYS 17 H LYS 17 -13.738 18.378 -5.469 9 HA LYS 17 HA LYS 17 -14.585 15.886 -6.694 10 1HB LYS 17 1HB LYS 17 -12.611 17.978 -7.626 11 2HB LYS 17 2HB LYS 17 -13.135 16.590 -8.569 12 1HG LYS 17 1HG LYS 17 -15.473 17.467 -8.391 13 2HG LYS 17 2HG LYS 17 -14.794 18.930 -7.676 14 1HD LYS 17 1HD LYS 17 -14.728 19.646 -9.811 15 2HD LYS 17 2HD LYS 17 -13.249 18.686 -9.884 16 1HE LYS 17 1HE LYS 17 -15.177 16.814 -10.390 17 2HE LYS 17 2HE LYS 17 -15.846 18.250 -11.164 18 1HZ LYS 17 1HZ LYS 17 -13.668 18.504 -12.306 19 2HZ LYS 17 2HZ LYS 17 -14.517 17.109 -12.749 20 3HZ LYS 17 3HZ LYS 17 -13.207 16.999 -11.685 21 H ARG 18 H ARG 18 -13.713 14.099 -5.851 22 HA ARG 18 HA ARG 18 -10.899 14.116 -5.041 23 1HB ARG 18 1HB ARG 18 -12.997 11.982 -4.610 24 2HB ARG 18 2HB ARG 18 -11.386 12.018 -3.904 25 1HG ARG 18 1HG ARG 18 -12.338 14.401 -3.067 26 2HG ARG 18 2HG ARG 18 -13.827 13.456 -3.126 27 1HD ARG 18 1HD ARG 18 -12.877 13.255 -0.932 28 2HD ARG 18 2HD ARG 18 -12.710 11.708 -1.763 29 HE ARG 18 HE ARG 18 -10.354 12.928 -2.268 30 1HH1 ARG 18 1HH1 ARG 18 -12.134 12.323 0.672 31 2HH1 ARG 18 2HH1 ARG 18 -10.714 12.217 1.658 32 1HH2 ARG 18 1HH2 ARG 18 -8.485 12.789 -0.975 33 2HH2 ARG 18 2HH2 ARG 18 -8.642 12.483 0.724 34 H GLU 19 H GLU 19 -9.428 13.442 -6.437 35 HA GLU 19 HA GLU 19 -10.035 11.164 -8.172 36 1HB GLU 19 1HB GLU 19 -10.191 13.637 -9.224 37 2HB GLU 19 2HB GLU 19 -8.468 13.350 -9.421 38 1HG GLU 19 1HG GLU 19 -9.492 11.022 -10.355 39 2HG GLU 19 2HG GLU 19 -10.755 12.162 -10.815 40 H PHE 20 H PHE 20 -8.659 9.808 -7.105 41 HA PHE 20 HA PHE 20 -5.810 10.382 -7.419 42 1HB PHE 20 1HB PHE 20 -5.291 9.672 -5.148 43 2HB PHE 20 2HB PHE 20 -6.404 11.038 -5.110 44 HD1 PHE 20 HD1 PHE 20 -6.089 7.410 -4.627 45 HD2 PHE 20 HD2 PHE 20 -8.594 10.820 -4.202 46 HE1 PHE 20 HE1 PHE 20 -7.623 6.098 -3.222 47 HE2 PHE 20 HE2 PHE 20 -10.135 9.517 -2.793 48 HZ PHE 20 HZ PHE 20 -9.651 7.153 -2.302 49 H ASN 21 H ASN 21 -4.673 8.225 -6.355 50 HA ASN 21 HA ASN 21 -5.788 6.022 -7.947 51 1HB ASN 21 1HB ASN 21 -3.012 6.548 -6.898 52 2HB ASN 21 2HB ASN 21 -3.489 5.054 -7.694 53 1HD2 ASN 21 1HD2 ASN 21 -2.411 8.227 -8.102 54 2HD2 ASN 21 2HD2 ASN 21 -2.530 8.310 -9.823 55 H GLU 22 H GLU 22 -6.810 4.446 -6.906 56 HA GLU 22 HA GLU 22 -6.808 4.261 -4.062 57 1HB GLU 22 1HB GLU 22 -8.093 2.744 -6.292 58 2HB GLU 22 2HB GLU 22 -8.077 2.037 -4.682 59 1HG GLU 22 1HG GLU 22 -9.680 3.392 -3.954 60 2HG GLU 22 2HG GLU 22 -8.920 4.814 -4.668 61 H ASN 23 H ASN 23 -4.839 2.881 -6.510 62 HA ASN 23 HA ASN 23 -3.133 1.619 -4.641 63 1HB ASN 23 1HB ASN 23 -5.355 0.077 -5.495 64 2HB ASN 23 2HB ASN 23 -3.911 -0.606 -6.221 65 1HD2 ASN 23 1HD2 ASN 23 -4.229 1.029 -3.117 66 2HD2 ASN 23 2HD2 ASN 23 -3.767 -0.327 -2.151 67 H ARG 24 H ARG 24 -2.764 3.408 -6.636 68 HA ARG 24 HA ARG 24 -1.084 1.925 -8.542 69 1HB ARG 24 1HB ARG 24 -2.626 4.449 -9.159 70 2HB ARG 24 2HB ARG 24 -1.653 3.512 -10.287 71 1HG ARG 24 1HG ARG 24 -3.894 2.140 -8.905 72 2HG ARG 24 2HG ARG 24 -4.281 3.295 -10.183 73 1HD ARG 24 1HD ARG 24 -2.248 1.125 -10.590 74 2HD ARG 24 2HD ARG 24 -3.969 0.830 -10.830 75 HE ARG 24 HE ARG 24 -2.968 3.122 -12.251 76 1HH1 ARG 24 1HH1 ARG 24 -3.455 -0.332 -12.359 77 2HH1 ARG 24 2HH1 ARG 24 -3.456 -0.404 -14.089 78 1HH2 ARG 24 1HH2 ARG 24 -2.967 3.030 -14.526 79 2HH2 ARG 24 2HH2 ARG 24 -3.177 1.504 -15.320 80 H TYR 25 H TYR 25 -1.691 5.017 -6.978 81 HA TYR 25 HA TYR 25 0.514 6.484 -7.603 82 1HB TYR 25 1HB TYR 25 0.155 7.687 -5.515 83 2HB TYR 25 2HB TYR 25 -1.395 7.281 -6.245 84 HD1 TYR 25 HD1 TYR 25 -2.277 4.832 -5.434 85 HD2 TYR 25 HD2 TYR 25 0.291 7.415 -3.229 86 HE1 TYR 25 HE1 TYR 25 -2.943 3.708 -3.354 87 HE2 TYR 25 HE2 TYR 25 -0.379 6.302 -1.141 88 HH TYR 25 HH TYR 25 -3.020 4.121 -0.984 89 H LEU 26 H LEU 26 0.268 4.152 -4.918 90 HA LEU 26 HA LEU 26 3.202 4.237 -4.707 91 1HB LEU 26 1HB LEU 26 2.996 4.665 -2.539 92 2HB LEU 26 2HB LEU 26 1.268 4.822 -2.778 93 HG LEU 26 HG LEU 26 2.640 2.223 -2.087 94 1HD1 LEU 26 1HD1 LEU 26 2.307 2.593 0.131 95 2HD1 LEU 26 2HD1 LEU 26 0.955 3.694 -0.138 96 3HD1 LEU 26 3HD1 LEU 26 2.608 4.251 -0.391 97 1HD2 LEU 26 1HD2 LEU 26 -0.090 2.988 -2.796 98 2HD2 LEU 26 2HD2 LEU 26 0.026 2.072 -1.292 99 3HD2 LEU 26 3HD2 LEU 26 0.680 1.402 -2.787 100 H THR 27 H THR 27 0.473 2.241 -5.267 101 HA THR 27 HA THR 27 1.193 -0.193 -4.263 102 HB THR 27 HB THR 27 -0.196 0.549 -6.820 103 HG1 THR 27 HG1 THR 27 -1.903 -0.563 -5.531 104 1HG2 THR 27 1HG2 THR 27 0.499 -2.199 -5.873 105 2HG2 THR 27 2HG2 THR 27 0.554 -1.530 -7.505 106 3HG2 THR 27 3HG2 THR 27 -0.999 -1.897 -6.753 107 H GLU 28 H GLU 28 1.648 0.195 -7.747 108 HA GLU 28 HA GLU 28 3.744 -1.656 -7.889 109 1HB GLU 28 1HB GLU 28 3.179 0.541 -9.877 110 2HB GLU 28 2HB GLU 28 3.979 -0.994 -10.186 111 1HG GLU 28 1HG GLU 28 1.853 -2.143 -9.588 112 2HG GLU 28 2HG GLU 28 1.085 -0.558 -9.492 113 H ARG 29 H ARG 29 3.800 1.852 -7.528 114 HA ARG 29 HA ARG 29 6.551 2.191 -8.099 115 1HB ARG 29 1HB ARG 29 4.695 3.962 -8.001 116 2HB ARG 29 2HB ARG 29 4.966 3.973 -6.264 117 1HG ARG 29 1HG ARG 29 7.292 4.332 -8.086 118 2HG ARG 29 2HG ARG 29 6.182 5.680 -7.828 119 1HD ARG 29 1HD ARG 29 6.909 6.033 -5.734 120 2HD ARG 29 2HD ARG 29 6.995 4.309 -5.372 121 HE ARG 29 HE ARG 29 9.217 4.333 -5.934 122 1HH1 ARG 29 1HH1 ARG 29 7.729 7.283 -7.059 123 2HH1 ARG 29 2HH1 ARG 29 9.233 8.023 -7.493 124 1HH2 ARG 29 1HH2 ARG 29 11.196 5.306 -6.505 125 2HH2 ARG 29 2HH2 ARG 29 11.201 6.901 -7.179 126 H ARG 30 H ARG 30 4.810 1.928 -5.005 127 HA ARG 30 HA ARG 30 7.268 1.939 -3.499 128 1HB ARG 30 1HB ARG 30 4.802 2.699 -2.835 129 2HB ARG 30 2HB ARG 30 4.719 1.040 -2.257 130 1HG ARG 30 1HG ARG 30 6.453 1.378 -0.711 131 2HG ARG 30 2HG ARG 30 6.950 2.888 -1.476 132 1HD ARG 30 1HD ARG 30 4.395 3.481 -0.862 133 2HD ARG 30 2HD ARG 30 4.770 2.352 0.438 134 HE ARG 30 HE ARG 30 6.806 4.320 0.126 135 1HH1 ARG 30 1HH1 ARG 30 3.626 3.783 1.458 136 2HH1 ARG 30 2HH1 ARG 30 3.792 5.006 2.673 137 1HH2 ARG 30 1HH2 ARG 30 7.026 5.930 1.723 138 2HH2 ARG 30 2HH2 ARG 30 5.720 6.225 2.823 139 H ARG 31 H ARG 31 5.128 -0.456 -4.837 140 HA ARG 31 HA ARG 31 5.787 -2.651 -3.244 141 1HB ARG 31 1HB ARG 31 4.747 -2.304 -6.016 142 2HB ARG 31 2HB ARG 31 5.340 -3.893 -5.553 143 1HG ARG 31 1HG ARG 31 3.737 -4.101 -3.833 144 2HG ARG 31 2HG ARG 31 3.297 -2.395 -3.939 145 1HD ARG 31 1HD ARG 31 1.606 -3.804 -4.988 146 2HD ARG 31 2HD ARG 31 2.390 -2.760 -6.174 147 HE ARG 31 HE ARG 31 3.808 -5.089 -6.278 148 1HH1 ARG 31 1HH1 ARG 31 0.437 -4.254 -6.631 149 2HH1 ARG 31 2HH1 ARG 31 0.102 -5.549 -7.729 150 1HH2 ARG 31 1HH2 ARG 31 3.369 -6.793 -7.723 151 2HH2 ARG 31 2HH2 ARG 31 1.766 -6.991 -8.349 152 H GLN 32 H GLN 32 7.374 -1.314 -6.098 153 HA GLN 32 HA GLN 32 9.272 -3.373 -6.440 154 1HB GLN 32 1HB GLN 32 9.338 -0.461 -7.238 155 2HB GLN 32 2HB GLN 32 10.541 -1.641 -7.741 156 1HG GLN 32 1HG GLN 32 8.892 -2.896 -8.946 157 2HG GLN 32 2HG GLN 32 7.598 -1.873 -8.324 158 1HE2 GLN 32 1HE2 GLN 32 10.780 -1.056 -9.642 159 2HE2 GLN 32 2HE2 GLN 32 10.189 -0.064 -10.925 160 H GLN 33 H GLN 33 9.413 -0.292 -4.687 161 HA GLN 33 HA GLN 33 12.114 -0.681 -3.825 162 1HB GLN 33 1HB GLN 33 9.953 1.297 -3.245 163 2HB GLN 33 2HB GLN 33 11.328 1.206 -2.153 164 1HG GLN 33 1HG GLN 33 12.691 1.355 -4.399 165 2HG GLN 33 2HG GLN 33 11.203 2.101 -4.982 166 1HE2 GLN 33 1HE2 GLN 33 11.169 4.216 -4.830 167 2HE2 GLN 33 2HE2 GLN 33 11.996 5.174 -3.654 168 H LEU 34 H LEU 34 8.929 -1.211 -2.407 169 HA LEU 34 HA LEU 34 9.794 -1.786 0.210 170 1HB LEU 34 1HB LEU 34 7.326 -2.259 -1.367 171 2HB LEU 34 2HB LEU 34 7.545 -3.219 0.084 172 HG LEU 34 HG LEU 34 7.689 -0.208 0.081 173 1HD1 LEU 34 1HD1 LEU 34 5.497 -0.467 -0.524 174 2HD1 LEU 34 2HD1 LEU 34 5.367 -0.584 1.231 175 3HD1 LEU 34 3HD1 LEU 34 5.354 -2.048 0.247 176 1HD2 LEU 34 1HD2 LEU 34 6.934 -0.913 2.548 177 2HD2 LEU 34 2HD2 LEU 34 8.623 -0.760 2.067 178 3HD2 LEU 34 3HD2 LEU 34 7.860 -2.350 2.112 179 H SER 35 H SER 35 9.375 -3.806 -2.643 180 HA SER 35 HA SER 35 9.772 -6.290 -1.359 181 1HB SER 35 1HB SER 35 9.501 -5.316 -4.081 182 2HB SER 35 2HB SER 35 10.720 -6.584 -3.975 183 HG SER 35 HG SER 35 8.599 -7.411 -4.313 184 H SER 36 H SER 36 12.010 -4.238 -3.225 185 HA SER 36 HA SER 36 14.294 -5.832 -2.700 186 1HB SER 36 1HB SER 36 14.041 -2.951 -3.587 187 2HB SER 36 2HB SER 36 15.563 -3.841 -3.533 188 HG SER 36 HG SER 36 14.999 -4.370 -5.496 189 H GLU 37 H GLU 37 12.963 -2.941 -1.154 190 HA GLU 37 HA GLU 37 15.122 -2.462 0.591 191 1HB GLU 37 1HB GLU 37 12.207 -1.716 0.702 192 2HB GLU 37 2HB GLU 37 13.339 -1.238 1.960 193 1HG GLU 37 1HG GLU 37 13.796 -0.600 -0.936 194 2HG GLU 37 2HG GLU 37 12.865 0.449 0.133 195 H LEU 38 H LEU 38 12.084 -4.238 1.062 196 HA LEU 38 HA LEU 38 12.899 -5.084 3.710 197 1HB LEU 38 1HB LEU 38 10.468 -5.643 2.025 198 2HB LEU 38 2HB LEU 38 10.737 -6.416 3.576 199 HG LEU 38 HG LEU 38 10.562 -3.428 3.189 200 1HD1 LEU 38 1HD1 LEU 38 8.332 -3.468 3.686 201 2HD1 LEU 38 2HD1 LEU 38 8.432 -5.015 4.527 202 3HD1 LEU 38 3HD1 LEU 38 8.469 -4.967 2.765 203 1HD2 LEU 38 1HD2 LEU 38 11.677 -4.833 5.253 204 2HD2 LEU 38 2HD2 LEU 38 10.019 -4.604 5.810 205 3HD2 LEU 38 3HD2 LEU 38 11.002 -3.207 5.372 206 H GLY 39 H GLY 39 13.244 -6.223 0.509 207 1HA GLY 39 1HA GLY 39 14.318 -8.091 -0.299 208 2HA GLY 39 2HA GLY 39 14.739 -8.491 1.360 209 H LEU 40 H LEU 40 11.434 -8.021 0.335 210 HA LEU 40 HA LEU 40 10.974 -10.904 0.724 211 1HB LEU 40 1HB LEU 40 8.517 -9.959 1.053 212 2HB LEU 40 2HB LEU 40 9.664 -10.058 2.377 213 HG LEU 40 HG LEU 40 10.248 -7.622 1.815 214 1HD1 LEU 40 1HD1 LEU 40 7.515 -7.444 0.662 215 2HD1 LEU 40 2HD1 LEU 40 8.839 -7.934 -0.395 216 3HD1 LEU 40 3HD1 LEU 40 8.907 -6.384 0.442 217 1HD2 LEU 40 1HD2 LEU 40 9.169 -7.695 3.797 218 2HD2 LEU 40 2HD2 LEU 40 7.875 -8.721 3.177 219 3HD2 LEU 40 3HD2 LEU 40 7.854 -6.985 2.861 220 H ASN 41 H ASN 41 9.219 -11.855 -0.516 221 HA ASN 41 HA ASN 41 9.283 -10.918 -3.261 222 1HB ASN 41 1HB ASN 41 9.385 -13.411 -2.236 223 2HB ASN 41 2HB ASN 41 7.653 -13.286 -2.529 224 1HD2 ASN 41 1HD2 ASN 41 7.007 -12.610 -4.710 225 2HD2 ASN 41 2HD2 ASN 41 7.953 -13.152 -6.050 226 H GLU 42 H GLU 42 7.341 -10.671 -4.529 227 HA GLU 42 HA GLU 42 5.472 -8.925 -3.508 228 1HB GLU 42 1HB GLU 42 5.075 -10.917 -5.752 229 2HB GLU 42 2HB GLU 42 4.095 -9.482 -5.479 230 1HG GLU 42 1HG GLU 42 6.010 -8.059 -5.905 231 2HG GLU 42 2HG GLU 42 7.040 -9.477 -6.104 232 H ALA 43 H ALA 43 5.546 -12.401 -3.379 233 HA ALA 43 HA ALA 43 2.864 -12.946 -2.768 234 1HB ALA 43 1HB ALA 43 4.989 -14.517 -1.402 235 2HB ALA 43 2HB ALA 43 4.958 -14.522 -3.166 236 3HB ALA 43 3HB ALA 43 3.550 -15.069 -2.258 237 H GLN 44 H GLN 44 5.546 -11.854 -0.806 238 HA GLN 44 HA GLN 44 4.106 -11.983 1.693 239 1HB GLN 44 1HB GLN 44 6.753 -10.860 0.813 240 2HB GLN 44 2HB GLN 44 6.115 -10.509 2.413 241 1HG GLN 44 1HG GLN 44 6.037 -13.341 1.798 242 2HG GLN 44 2HG GLN 44 7.666 -12.673 1.699 243 1HE2 GLN 44 1HE2 GLN 44 5.051 -11.616 3.806 244 2HE2 GLN 44 2HE2 GLN 44 5.835 -12.026 5.290 245 H ILE 45 H ILE 45 4.692 -9.764 -0.874 246 HA ILE 45 HA ILE 45 4.032 -7.339 0.393 247 HB ILE 45 HB ILE 45 3.959 -8.184 -2.502 248 1HG1 ILE 45 1HG1 ILE 45 6.161 -8.078 -1.310 249 2HG1 ILE 45 2HG1 ILE 45 6.033 -6.977 -2.681 250 1HG2 ILE 45 1HG2 ILE 45 3.774 -5.352 -1.530 251 2HG2 ILE 45 2HG2 ILE 45 2.362 -6.298 -1.996 252 3HG2 ILE 45 3HG2 ILE 45 3.620 -5.948 -3.180 253 1HD1 ILE 45 1HD1 ILE 45 5.420 -5.184 -1.013 254 2HD1 ILE 45 2HD1 ILE 45 7.083 -5.773 -0.970 255 3HD1 ILE 45 3HD1 ILE 45 5.922 -6.320 0.240 256 H LYS 46 H LYS 46 2.065 -9.753 -1.311 257 HA LYS 46 HA LYS 46 -0.330 -8.313 -1.447 258 1HB LYS 46 1HB LYS 46 0.289 -10.635 -2.436 259 2HB LYS 46 2HB LYS 46 -0.269 -11.267 -0.893 260 1HG LYS 46 1HG LYS 46 -2.416 -9.930 -1.365 261 2HG LYS 46 2HG LYS 46 -1.828 -9.869 -3.027 262 1HD LYS 46 1HD LYS 46 -3.177 -11.765 -3.009 263 2HD LYS 46 2HD LYS 46 -1.554 -12.423 -2.788 264 1HE LYS 46 1HE LYS 46 -2.051 -13.231 -0.766 265 2HE LYS 46 2HE LYS 46 -2.826 -11.726 -0.269 266 1HZ LYS 46 1HZ LYS 46 -4.077 -13.875 -1.896 267 2HZ LYS 46 2HZ LYS 46 -4.823 -12.420 -1.460 268 3HZ LYS 46 3HZ LYS 46 -4.400 -13.543 -0.267 269 H ILE 47 H ILE 47 0.877 -10.522 1.038 270 HA ILE 47 HA ILE 47 -1.289 -10.141 2.851 271 HB ILE 47 HB ILE 47 1.360 -11.458 2.904 272 1HG1 ILE 47 1HG1 ILE 47 -1.069 -12.424 4.349 273 2HG1 ILE 47 2HG1 ILE 47 -1.098 -12.391 2.588 274 1HG2 ILE 47 1HG2 ILE 47 0.058 -10.466 5.430 275 2HG2 ILE 47 2HG2 ILE 47 1.702 -10.160 4.864 276 3HG2 ILE 47 3HG2 ILE 47 1.235 -11.779 5.391 277 1HD1 ILE 47 1HD1 ILE 47 1.170 -13.693 4.026 278 2HD1 ILE 47 2HD1 ILE 47 0.547 -13.995 2.403 279 3HD1 ILE 47 3HD1 ILE 47 -0.363 -14.539 3.812 280 H TRP 48 H TRP 48 1.929 -8.802 2.514 281 HA TRP 48 HA TRP 48 2.109 -7.241 4.799 282 1HB TRP 48 1HB TRP 48 3.969 -7.720 3.274 283 2HB TRP 48 2HB TRP 48 3.194 -6.782 2.012 284 HD1 TRP 48 HD1 TRP 48 5.720 -6.517 4.670 285 HE1 TRP 48 HE1 TRP 48 6.464 -4.074 4.936 286 HE3 TRP 48 HE3 TRP 48 2.035 -4.194 2.013 287 HZ2 TRP 48 HZ2 TRP 48 5.627 -1.519 4.162 288 HZ3 TRP 48 HZ3 TRP 48 2.076 -1.750 1.827 289 HH2 TRP 48 HH2 TRP 48 3.843 -0.444 2.869 290 H PHE 49 H PHE 49 0.946 -6.370 1.575 291 HA PHE 49 HA PHE 49 0.161 -3.748 2.348 292 1HB PHE 49 1HB PHE 49 -0.139 -5.405 -0.101 293 2HB PHE 49 2HB PHE 49 -1.224 -4.023 0.099 294 HD1 PHE 49 HD1 PHE 49 -0.390 -1.778 0.110 295 HD2 PHE 49 HD2 PHE 49 2.246 -5.084 -0.284 296 HE1 PHE 49 HE1 PHE 49 1.446 -0.241 -0.503 297 HE2 PHE 49 HE2 PHE 49 4.081 -3.568 -0.900 298 HZ PHE 49 HZ PHE 49 3.692 -1.151 -0.988 299 H GLN 50 H GLN 50 -1.570 -6.789 1.974 300 HA GLN 50 HA GLN 50 -4.123 -5.725 2.458 301 1HB GLN 50 1HB GLN 50 -2.938 -8.475 2.648 302 2HB GLN 50 2HB GLN 50 -4.571 -8.183 3.232 303 1HG GLN 50 1HG GLN 50 -4.611 -7.013 0.757 304 2HG GLN 50 2HG GLN 50 -3.563 -8.409 0.508 305 1HE2 GLN 50 1HE2 GLN 50 -4.496 -10.426 1.738 306 2HE2 GLN 50 2HE2 GLN 50 -6.157 -10.756 1.397 307 H ASN 51 H ASN 51 -1.513 -6.719 4.568 308 HA ASN 51 HA ASN 51 -3.113 -6.727 6.957 309 1HB ASN 51 1HB ASN 51 -0.282 -7.181 6.263 310 2HB ASN 51 2HB ASN 51 -0.554 -6.491 7.860 311 1HD2 ASN 51 1HD2 ASN 51 -2.398 -8.829 5.940 312 2HD2 ASN 51 2HD2 ASN 51 -2.366 -10.085 7.126 313 H LYS 52 H LYS 52 -0.867 -4.476 5.410 314 HA LYS 52 HA LYS 52 -0.982 -2.531 7.488 315 1HB LYS 52 1HB LYS 52 0.654 -2.925 5.357 316 2HB LYS 52 2HB LYS 52 -0.343 -1.607 4.757 317 1HG LYS 52 1HG LYS 52 0.602 -0.105 6.121 318 2HG LYS 52 2HG LYS 52 0.650 -1.223 7.485 319 1HD LYS 52 1HD LYS 52 2.536 -2.382 6.106 320 2HD LYS 52 2HD LYS 52 2.635 -0.824 5.285 321 1HE LYS 52 1HE LYS 52 2.602 -0.019 7.862 322 2HE LYS 52 2HE LYS 52 3.404 -1.580 8.029 323 1HZ LYS 52 1HZ LYS 52 5.212 -0.350 7.557 324 2HZ LYS 52 2HZ LYS 52 4.340 0.860 6.759 325 3HZ LYS 52 3HZ LYS 52 4.722 -0.577 5.954 326 H ARG 53 H ARG 53 -2.893 -3.199 4.654 327 HA ARG 53 HA ARG 53 -4.178 -0.687 4.444 328 1HB ARG 53 1HB ARG 53 -4.161 -2.338 2.623 329 2HB ARG 53 2HB ARG 53 -5.154 -3.418 3.591 330 1HG ARG 53 1HG ARG 53 -6.609 -2.371 2.065 331 2HG ARG 53 2HG ARG 53 -6.896 -1.596 3.625 332 1HD ARG 53 1HD ARG 53 -4.895 -0.062 2.515 333 2HD ARG 53 2HD ARG 53 -5.903 -0.470 1.128 334 HE ARG 53 HE ARG 53 -7.387 0.463 3.408 335 1HH1 ARG 53 1HH1 ARG 53 -5.643 1.420 0.540 336 2HH1 ARG 53 2HH1 ARG 53 -6.471 2.933 0.390 337 1HH2 ARG 53 1HH2 ARG 53 -8.476 2.453 3.213 338 2HH2 ARG 53 2HH2 ARG 53 -8.078 3.521 1.908 339 H ALA 54 H ALA 54 -4.552 -3.301 6.643 340 HA ALA 54 HA ALA 54 -7.225 -2.428 7.447 341 1HB ALA 54 1HB ALA 54 -6.891 -4.818 7.198 342 2HB ALA 54 2HB ALA 54 -7.217 -4.419 8.885 343 3HB ALA 54 3HB ALA 54 -5.570 -4.775 8.365 344 H LYS 55 H LYS 55 -4.822 -0.782 7.920 345 HA LYS 55 HA LYS 55 -4.589 -0.876 10.837 346 1HB LYS 55 1HB LYS 55 -2.924 0.194 8.635 347 2HB LYS 55 2HB LYS 55 -2.931 1.132 10.122 348 1HG LYS 55 1HG LYS 55 -2.521 -1.787 10.376 349 2HG LYS 55 2HG LYS 55 -1.209 -0.842 9.668 350 1HD LYS 55 1HD LYS 55 -0.638 -0.674 11.872 351 2HD LYS 55 2HD LYS 55 -1.710 0.722 11.748 352 1HE LYS 55 1HE LYS 55 -3.307 -1.557 12.303 353 2HE LYS 55 2HE LYS 55 -1.947 -1.566 13.424 354 1HZ LYS 55 1HZ LYS 55 -4.172 0.287 13.224 355 2HZ LYS 55 2HZ LYS 55 -2.668 0.989 13.543 356 3HZ LYS 55 3HZ LYS 55 -3.282 -0.196 14.580 357 H ILE 56 H ILE 56 -4.775 1.771 8.453 358 HA ILE 56 HA ILE 56 -5.919 3.738 8.449 359 HB ILE 56 HB ILE 56 -7.865 2.410 10.330 360 1HG1 ILE 56 1HG1 ILE 56 -8.747 2.355 7.609 361 2HG1 ILE 56 2HG1 ILE 56 -7.148 1.621 7.690 362 1HG2 ILE 56 1HG2 ILE 56 -7.808 4.979 9.568 363 2HG2 ILE 56 2HG2 ILE 56 -9.302 4.098 9.891 364 3HG2 ILE 56 3HG2 ILE 56 -8.734 4.295 8.232 365 1HD1 ILE 56 1HD1 ILE 56 -8.098 -0.248 8.379 366 2HD1 ILE 56 2HD1 ILE 56 -9.675 0.539 8.451 367 3HD1 ILE 56 3HD1 ILE 56 -8.605 0.582 9.851 368 H LYS 57 H LYS 57 -4.535 5.112 9.472 369 HA LYS 57 HA LYS 57 -3.754 6.530 11.070 370 1HB LYS 57 1HB LYS 57 -6.341 6.714 11.380 371 2HB LYS 57 2HB LYS 57 -6.050 5.809 12.859 372 1HG LYS 57 1HG LYS 57 -4.698 7.526 13.757 373 2HG LYS 57 2HG LYS 57 -4.606 8.361 12.205 374 1HD LYS 57 1HD LYS 57 -6.264 9.626 13.051 375 2HD LYS 57 2HD LYS 57 -7.292 8.267 12.592 376 1HE LYS 57 1HE LYS 57 -7.931 8.305 14.743 377 2HE LYS 57 2HE LYS 57 -6.408 7.468 15.034 378 1HZ LYS 57 1HZ LYS 57 -7.064 9.659 16.316 379 2HZ LYS 57 2HZ LYS 57 -6.347 10.387 14.969 380 3HZ LYS 57 3HZ LYS 57 -5.456 9.308 15.920 381 H LYS 58 H LYS 58 -2.455 6.508 12.904 382 HA LYS 58 HA LYS 58 -2.316 3.951 14.356 383 1HB LYS 58 1HB LYS 58 -0.093 5.541 13.104 384 2HB LYS 58 2HB LYS 58 0.219 4.453 14.449 385 1HG LYS 58 1HG LYS 58 0.591 2.969 12.804 386 2HG LYS 58 2HG LYS 58 -1.166 2.809 12.834 387 1HD LYS 58 1HD LYS 58 -0.687 4.993 11.177 388 2HD LYS 58 2HD LYS 58 0.566 3.827 10.748 389 1HE LYS 58 1HE LYS 58 -0.973 2.224 10.086 390 2HE LYS 58 2HE LYS 58 -2.276 2.942 11.031 391 1HZ LYS 58 1HZ LYS 58 -1.075 4.217 8.635 392 2HZ LYS 58 2HZ LYS 58 -2.450 4.724 9.477 393 3HZ LYS 58 3HZ LYS 58 -2.482 3.278 8.600 394 H SER 59 H SER 59 -0.641 4.331 16.291 395 HA SER 59 HA SER 59 -1.131 6.929 17.540 396 1HB SER 59 1HB SER 59 -1.893 4.265 18.749 397 2HB SER 59 2HB SER 59 -1.767 5.758 19.680 398 HG SER 59 HG SER 59 -3.408 5.509 17.387 Start of MODEL 17 1 1H ALA 16 1H ALA 16 -6.012 21.899 0.411 2 2H ALA 16 2H ALA 16 -5.254 22.899 1.583 3 3H ALA 16 3H ALA 16 -4.724 21.282 1.357 4 HA ALA 16 HA ALA 16 -4.331 23.635 -0.318 5 1HB ALA 16 1HB ALA 16 -2.475 23.308 0.995 6 2HB ALA 16 2HB ALA 16 -2.045 22.366 -0.433 7 3HB ALA 16 3HB ALA 16 -2.658 21.554 1.007 8 H LYS 17 H LYS 17 -4.497 20.095 -0.415 9 HA LYS 17 HA LYS 17 -4.936 20.269 -3.309 10 1HB LYS 17 1HB LYS 17 -2.577 19.677 -2.990 11 2HB LYS 17 2HB LYS 17 -3.046 18.327 -1.966 12 1HG LYS 17 1HG LYS 17 -2.509 17.468 -4.116 13 2HG LYS 17 2HG LYS 17 -4.258 17.357 -3.913 14 1HD LYS 17 1HD LYS 17 -4.218 18.265 -5.998 15 2HD LYS 17 2HD LYS 17 -4.137 19.759 -5.062 16 1HE LYS 17 1HE LYS 17 -2.238 20.251 -6.100 17 2HE LYS 17 2HE LYS 17 -1.491 18.856 -5.322 18 1HZ LYS 17 1HZ LYS 17 -1.614 17.634 -7.195 19 2HZ LYS 17 2HZ LYS 17 -1.643 19.147 -7.952 20 3HZ LYS 17 3HZ LYS 17 -3.086 18.305 -7.691 21 H ARG 18 H ARG 18 -6.121 18.510 -4.203 22 HA ARG 18 HA ARG 18 -7.391 16.711 -2.264 23 1HB ARG 18 1HB ARG 18 -8.839 18.431 -4.282 24 2HB ARG 18 2HB ARG 18 -9.587 17.115 -3.389 25 1HG ARG 18 1HG ARG 18 -9.383 18.247 -1.340 26 2HG ARG 18 2HG ARG 18 -8.253 19.424 -2.014 27 1HD ARG 18 1HD ARG 18 -10.294 20.570 -1.866 28 2HD ARG 18 2HD ARG 18 -10.157 20.113 -3.562 29 HE ARG 18 HE ARG 18 -11.982 18.749 -3.313 30 1HH1 ARG 18 1HH1 ARG 18 -10.818 19.681 -0.158 31 2HH1 ARG 18 2HH1 ARG 18 -12.182 19.020 0.678 32 1HH2 ARG 18 1HH2 ARG 18 -13.778 17.879 -2.215 33 2HH2 ARG 18 2HH2 ARG 18 -13.862 17.997 -0.489 34 H GLU 19 H GLU 19 -8.321 14.806 -3.194 35 HA GLU 19 HA GLU 19 -8.326 12.996 -4.567 36 1HB GLU 19 1HB GLU 19 -9.168 15.016 -6.126 37 2HB GLU 19 2HB GLU 19 -7.704 14.582 -6.997 38 1HG GLU 19 1HG GLU 19 -9.005 12.166 -6.435 39 2HG GLU 19 2HG GLU 19 -10.259 13.286 -6.967 40 H PHE 20 H PHE 20 -6.666 11.669 -4.325 41 HA PHE 20 HA PHE 20 -4.090 12.398 -5.560 42 1HB PHE 20 1HB PHE 20 -2.996 11.053 -3.764 43 2HB PHE 20 2HB PHE 20 -3.832 12.478 -3.155 44 HD1 PHE 20 HD1 PHE 20 -4.458 8.859 -3.794 45 HD2 PHE 20 HD2 PHE 20 -5.188 12.242 -1.318 46 HE1 PHE 20 HE1 PHE 20 -5.727 7.439 -2.237 47 HE2 PHE 20 HE2 PHE 20 -6.458 10.828 0.245 48 HZ PHE 20 HZ PHE 20 -6.730 8.423 -0.214 49 H ASN 21 H ASN 21 -2.710 10.151 -5.491 50 HA ASN 21 HA ASN 21 -4.058 8.471 -7.391 51 1HB ASN 21 1HB ASN 21 -1.317 8.837 -6.407 52 2HB ASN 21 2HB ASN 21 -1.723 7.170 -6.794 53 1HD2 ASN 21 1HD2 ASN 21 -0.085 9.461 -8.049 54 2HD2 ASN 21 2HD2 ASN 21 -0.532 9.387 -9.716 55 H GLU 22 H GLU 22 -5.435 6.938 -6.803 56 HA GLU 22 HA GLU 22 -5.414 5.860 -4.130 57 1HB GLU 22 1HB GLU 22 -7.371 6.295 -6.040 58 2HB GLU 22 2HB GLU 22 -7.206 4.545 -6.018 59 1HG GLU 22 1HG GLU 22 -7.498 4.625 -3.542 60 2HG GLU 22 2HG GLU 22 -7.854 6.345 -3.698 61 H ASN 23 H ASN 23 -3.965 4.361 -3.635 62 HA ASN 23 HA ASN 23 -2.751 2.442 -3.660 63 1HB ASN 23 1HB ASN 23 -5.061 1.715 -5.410 64 2HB ASN 23 2HB ASN 23 -3.741 0.583 -5.153 65 1HD2 ASN 23 1HD2 ASN 23 -5.672 2.799 -3.159 66 2HD2 ASN 23 2HD2 ASN 23 -6.018 1.650 -1.916 67 H ARG 24 H ARG 24 -1.898 4.465 -5.300 68 HA ARG 24 HA ARG 24 -0.405 2.966 -7.320 69 1HB ARG 24 1HB ARG 24 -1.703 5.643 -7.872 70 2HB ARG 24 2HB ARG 24 -0.730 4.701 -8.997 71 1HG ARG 24 1HG ARG 24 -2.397 3.097 -9.279 72 2HG ARG 24 2HG ARG 24 -3.248 3.595 -7.815 73 1HD ARG 24 1HD ARG 24 -4.020 5.589 -8.832 74 2HD ARG 24 2HD ARG 24 -2.928 5.395 -10.204 75 HE ARG 24 HE ARG 24 -5.495 4.138 -9.827 76 1HH1 ARG 24 1HH1 ARG 24 -2.430 3.986 -11.491 77 2HH1 ARG 24 2HH1 ARG 24 -3.047 3.038 -12.802 78 1HH2 ARG 24 1HH2 ARG 24 -6.307 2.890 -11.551 79 2HH2 ARG 24 2HH2 ARG 24 -5.247 2.416 -12.836 80 H TYR 25 H TYR 25 -0.817 6.063 -5.687 81 HA TYR 25 HA TYR 25 1.543 7.333 -6.116 82 1HB TYR 25 1HB TYR 25 1.202 8.454 -3.976 83 2HB TYR 25 2HB TYR 25 -0.345 8.233 -4.790 84 HD1 TYR 25 HD1 TYR 25 -1.494 5.862 -4.157 85 HD2 TYR 25 HD2 TYR 25 1.226 8.019 -1.701 86 HE1 TYR 25 HE1 TYR 25 -2.363 4.689 -2.189 87 HE2 TYR 25 HE2 TYR 25 0.353 6.861 0.284 88 HH TYR 25 HH TYR 25 -1.809 5.697 0.940 89 H LEU 26 H LEU 26 0.937 4.863 -3.656 90 HA LEU 26 HA LEU 26 3.840 4.521 -3.354 91 1HB LEU 26 1HB LEU 26 3.479 5.474 -1.340 92 2HB LEU 26 2HB LEU 26 1.760 5.156 -1.389 93 HG LEU 26 HG LEU 26 3.739 2.987 -0.731 94 1HD1 LEU 26 1HD1 LEU 26 3.661 5.220 0.741 95 2HD1 LEU 26 2HD1 LEU 26 3.905 3.615 1.432 96 3HD1 LEU 26 3HD1 LEU 26 2.302 4.353 1.455 97 1HD2 LEU 26 1HD2 LEU 26 0.872 3.196 -0.979 98 2HD2 LEU 26 2HD2 LEU 26 1.327 2.695 0.651 99 3HD2 LEU 26 3HD2 LEU 26 1.876 1.765 -0.743 100 H THR 27 H THR 27 1.199 3.107 -4.530 101 HA THR 27 HA THR 27 1.416 0.514 -3.312 102 HB THR 27 HB THR 27 -0.166 1.575 -5.642 103 HG1 THR 27 HG1 THR 27 -0.821 0.711 -3.028 104 1HG2 THR 27 1HG2 THR 27 0.412 -1.181 -5.046 105 2HG2 THR 27 2HG2 THR 27 -0.473 -0.478 -6.400 106 3HG2 THR 27 3HG2 THR 27 -1.310 -0.832 -4.888 107 H GLU 28 H GLU 28 1.284 0.895 -6.805 108 HA GLU 28 HA GLU 28 3.041 -1.217 -7.308 109 1HB GLU 28 1HB GLU 28 2.447 1.011 -9.241 110 2HB GLU 28 2HB GLU 28 2.838 -0.663 -9.609 111 1HG GLU 28 1HG GLU 28 0.588 -0.872 -8.038 112 2HG GLU 28 2HG GLU 28 0.280 0.570 -9.005 113 H ARG 29 H ARG 29 3.625 2.293 -7.496 114 HA ARG 29 HA ARG 29 6.250 2.137 -8.451 115 1HB ARG 29 1HB ARG 29 4.716 4.224 -6.940 116 2HB ARG 29 2HB ARG 29 6.432 4.448 -7.261 117 1HG ARG 29 1HG ARG 29 5.302 3.683 -9.705 118 2HG ARG 29 2HG ARG 29 4.179 4.845 -8.997 119 1HD ARG 29 1HD ARG 29 5.625 6.229 -10.139 120 2HD ARG 29 2HD ARG 29 6.336 6.227 -8.526 121 HE ARG 29 HE ARG 29 7.413 4.198 -10.248 122 1HH1 ARG 29 1HH1 ARG 29 7.644 7.552 -9.310 123 2HH1 ARG 29 2HH1 ARG 29 9.297 7.705 -9.803 124 1HH2 ARG 29 1HH2 ARG 29 9.587 4.398 -10.896 125 2HH2 ARG 29 2HH2 ARG 29 10.400 5.916 -10.705 126 H ARG 30 H ARG 30 5.037 2.380 -5.132 127 HA ARG 30 HA ARG 30 7.689 2.207 -4.020 128 1HB ARG 30 1HB ARG 30 5.094 2.938 -3.084 129 2HB ARG 30 2HB ARG 30 5.742 1.697 -2.018 130 1HG ARG 30 1HG ARG 30 7.894 3.221 -2.130 131 2HG ARG 30 2HG ARG 30 6.703 4.460 -2.533 132 1HD ARG 30 1HD ARG 30 5.915 4.540 -0.440 133 2HD ARG 30 2HD ARG 30 5.915 2.784 -0.278 134 HE ARG 30 HE ARG 30 7.831 3.002 0.922 135 1HH1 ARG 30 1HH1 ARG 30 7.632 5.716 -1.268 136 2HH1 ARG 30 2HH1 ARG 30 9.104 6.435 -0.705 137 1HH2 ARG 30 1HH2 ARG 30 9.766 3.949 1.659 138 2HH2 ARG 30 2HH2 ARG 30 10.317 5.430 0.951 139 H ARG 31 H ARG 31 5.222 -0.045 -4.901 140 HA ARG 31 HA ARG 31 5.756 -2.162 -3.167 141 1HB ARG 31 1HB ARG 31 4.449 -1.821 -5.768 142 2HB ARG 31 2HB ARG 31 5.159 -3.413 -5.550 143 1HG ARG 31 1HG ARG 31 3.878 -3.762 -3.539 144 2HG ARG 31 2HG ARG 31 3.235 -2.122 -3.630 145 1HD ARG 31 1HD ARG 31 1.542 -3.512 -4.490 146 2HD ARG 31 2HD ARG 31 2.298 -2.766 -5.896 147 HE ARG 31 HE ARG 31 2.406 -5.565 -5.123 148 1HH1 ARG 31 1HH1 ARG 31 3.660 -3.048 -7.195 149 2HH1 ARG 31 2HH1 ARG 31 4.255 -4.156 -8.384 150 1HH2 ARG 31 1HH2 ARG 31 3.187 -7.016 -6.688 151 2HH2 ARG 31 2HH2 ARG 31 3.986 -6.406 -8.098 152 H GLN 32 H GLN 32 7.312 -1.235 -6.193 153 HA GLN 32 HA GLN 32 8.980 -3.501 -6.418 154 1HB GLN 32 1HB GLN 32 8.410 -1.466 -8.066 155 2HB GLN 32 2HB GLN 32 9.954 -0.892 -7.450 156 1HG GLN 32 1HG GLN 32 11.055 -2.264 -8.785 157 2HG GLN 32 2HG GLN 32 10.172 -3.654 -8.159 158 1HE2 GLN 32 1HE2 GLN 32 7.786 -3.637 -9.014 159 2HE2 GLN 32 2HE2 GLN 32 7.645 -3.449 -10.725 160 H GLN 33 H GLN 33 9.395 -0.380 -4.827 161 HA GLN 33 HA GLN 33 12.130 -0.849 -4.120 162 1HB GLN 33 1HB GLN 33 10.253 1.129 -2.830 163 2HB GLN 33 2HB GLN 33 12.007 1.207 -2.914 164 1HG GLN 33 1HG GLN 33 10.831 1.073 -5.548 165 2HG GLN 33 2HG GLN 33 10.191 2.427 -4.618 166 1HE2 GLN 33 1HE2 GLN 33 11.335 3.584 -6.394 167 2HE2 GLN 33 2HE2 GLN 33 12.997 3.985 -6.145 168 H LEU 34 H LEU 34 9.015 -1.307 -2.566 169 HA LEU 34 HA LEU 34 9.959 -1.783 0.043 170 1HB LEU 34 1HB LEU 34 7.451 -2.355 -1.446 171 2HB LEU 34 2HB LEU 34 7.720 -3.214 0.059 172 HG LEU 34 HG LEU 34 8.282 -0.491 0.574 173 1HD1 LEU 34 1HD1 LEU 34 5.689 0.087 0.042 174 2HD1 LEU 34 2HD1 LEU 34 6.123 -0.873 -1.373 175 3HD1 LEU 34 3HD1 LEU 34 7.053 0.570 -0.967 176 1HD2 LEU 34 1HD2 LEU 34 6.355 -2.561 1.431 177 2HD2 LEU 34 2HD2 LEU 34 5.930 -0.888 1.790 178 3HD2 LEU 34 3HD2 LEU 34 7.448 -1.560 2.386 179 H SER 35 H SER 35 9.475 -3.913 -2.721 180 HA SER 35 HA SER 35 9.904 -6.349 -1.367 181 1HB SER 35 1HB SER 35 8.905 -6.215 -3.621 182 2HB SER 35 2HB SER 35 10.454 -5.680 -4.270 183 HG SER 35 HG SER 35 10.277 -7.886 -4.580 184 H SER 36 H SER 36 12.128 -4.374 -3.331 185 HA SER 36 HA SER 36 14.414 -5.950 -2.763 186 1HB SER 36 1HB SER 36 14.216 -4.451 -4.736 187 2HB SER 36 2HB SER 36 14.313 -3.060 -3.656 188 HG SER 36 HG SER 36 16.300 -5.069 -3.941 189 H GLU 37 H GLU 37 13.056 -3.048 -1.287 190 HA GLU 37 HA GLU 37 15.241 -2.453 0.391 191 1HB GLU 37 1HB GLU 37 12.315 -1.766 0.498 192 2HB GLU 37 2HB GLU 37 13.426 -1.247 1.758 193 1HG GLU 37 1HG GLU 37 14.425 -0.648 -0.896 194 2HG GLU 37 2HG GLU 37 12.851 0.085 -0.590 195 H LEU 38 H LEU 38 12.240 -4.258 1.012 196 HA LEU 38 HA LEU 38 13.156 -5.003 3.657 197 1HB LEU 38 1HB LEU 38 10.664 -5.557 2.076 198 2HB LEU 38 2HB LEU 38 10.995 -6.401 3.577 199 HG LEU 38 HG LEU 38 11.350 -3.806 4.341 200 1HD1 LEU 38 1HD1 LEU 38 10.630 -2.682 2.455 201 2HD1 LEU 38 2HD1 LEU 38 9.163 -2.757 3.432 202 3HD1 LEU 38 3HD1 LEU 38 9.387 -3.878 2.089 203 1HD2 LEU 38 1HD2 LEU 38 9.617 -4.227 5.735 204 2HD2 LEU 38 2HD2 LEU 38 9.822 -5.864 5.112 205 3HD2 LEU 38 3HD2 LEU 38 8.574 -4.815 4.441 206 H GLY 39 H GLY 39 13.290 -6.299 0.476 207 1HA GLY 39 1HA GLY 39 14.378 -8.177 -0.299 208 2HA GLY 39 2HA GLY 39 14.884 -8.502 1.352 209 H LEU 40 H LEU 40 11.524 -8.107 0.507 210 HA LEU 40 HA LEU 40 11.110 -10.955 1.108 211 1HB LEU 40 1HB LEU 40 8.616 -9.864 1.230 212 2HB LEU 40 2HB LEU 40 9.675 -10.109 2.607 213 HG LEU 40 HG LEU 40 10.522 -7.736 2.178 214 1HD1 LEU 40 1HD1 LEU 40 7.978 -7.029 0.929 215 2HD1 LEU 40 2HD1 LEU 40 9.053 -7.956 -0.117 216 3HD1 LEU 40 3HD1 LEU 40 9.607 -6.442 0.600 217 1HD2 LEU 40 1HD2 LEU 40 7.961 -8.628 3.324 218 2HD2 LEU 40 2HD2 LEU 40 8.107 -6.893 3.041 219 3HD2 LEU 40 3HD2 LEU 40 9.282 -7.722 4.061 220 H ASN 41 H ASN 41 9.250 -11.979 0.011 221 HA ASN 41 HA ASN 41 9.423 -11.482 -2.835 222 1HB ASN 41 1HB ASN 41 9.542 -13.784 -2.080 223 2HB ASN 41 2HB ASN 41 8.007 -13.626 -1.234 224 1HD2 ASN 41 1HD2 ASN 41 9.059 -12.673 -4.483 225 2HD2 ASN 41 2HD2 ASN 41 7.834 -13.556 -5.322 226 H GLU 42 H GLU 42 7.647 -11.061 -4.191 227 HA GLU 42 HA GLU 42 5.849 -9.124 -3.367 228 1HB GLU 42 1HB GLU 42 6.527 -10.094 -5.755 229 2HB GLU 42 2HB GLU 42 5.027 -10.989 -5.547 230 1HG GLU 42 1HG GLU 42 4.137 -9.183 -6.542 231 2HG GLU 42 2HG GLU 42 4.179 -8.525 -4.907 232 H ALA 43 H ALA 43 5.606 -12.602 -3.249 233 HA ALA 43 HA ALA 43 2.844 -12.887 -2.858 234 1HB ALA 43 1HB ALA 43 3.287 -15.068 -2.153 235 2HB ALA 43 2HB ALA 43 4.843 -14.626 -1.449 236 3HB ALA 43 3HB ALA 43 4.656 -14.696 -3.202 237 H GLN 44 H GLN 44 5.436 -11.969 -0.718 238 HA GLN 44 HA GLN 44 3.860 -12.055 1.694 239 1HB GLN 44 1HB GLN 44 6.554 -10.876 1.019 240 2HB GLN 44 2HB GLN 44 5.840 -10.777 2.622 241 1HG GLN 44 1HG GLN 44 6.468 -13.339 1.172 242 2HG GLN 44 2HG GLN 44 7.488 -12.590 2.402 243 1HE2 GLN 44 1HE2 GLN 44 5.774 -11.826 4.307 244 2HE2 GLN 44 2HE2 GLN 44 4.934 -13.184 4.968 245 H ILE 45 H ILE 45 4.637 -9.822 -0.818 246 HA ILE 45 HA ILE 45 4.009 -7.397 0.465 247 HB ILE 45 HB ILE 45 3.978 -8.161 -2.456 248 1HG1 ILE 45 1HG1 ILE 45 6.159 -8.267 -1.250 249 2HG1 ILE 45 2HG1 ILE 45 6.133 -7.072 -2.545 250 1HG2 ILE 45 1HG2 ILE 45 2.529 -6.144 -1.806 251 2HG2 ILE 45 2HG2 ILE 45 3.721 -5.935 -3.086 252 3HG2 ILE 45 3HG2 ILE 45 4.058 -5.341 -1.463 253 1HD1 ILE 45 1HD1 ILE 45 6.080 -6.630 0.412 254 2HD1 ILE 45 2HD1 ILE 45 5.576 -5.376 -0.721 255 3HD1 ILE 45 3HD1 ILE 45 7.219 -6.017 -0.786 256 H LYS 46 H LYS 46 2.021 -9.710 -1.356 257 HA LYS 46 HA LYS 46 -0.310 -8.170 -1.541 258 1HB LYS 46 1HB LYS 46 0.257 -10.497 -2.563 259 2HB LYS 46 2HB LYS 46 -0.393 -11.136 -1.059 260 1HG LYS 46 1HG LYS 46 -2.502 -9.902 -1.519 261 2HG LYS 46 2HG LYS 46 -1.838 -9.447 -3.089 262 1HD LYS 46 1HD LYS 46 -1.543 -12.271 -2.717 263 2HD LYS 46 2HD LYS 46 -3.216 -11.814 -2.396 264 1HE LYS 46 1HE LYS 46 -3.200 -10.569 -4.569 265 2HE LYS 46 2HE LYS 46 -1.614 -11.270 -4.890 266 1HZ LYS 46 1HZ LYS 46 -4.063 -12.866 -4.373 267 2HZ LYS 46 2HZ LYS 46 -2.555 -13.450 -4.870 268 3HZ LYS 46 3HZ LYS 46 -3.480 -12.497 -5.918 269 H ILE 47 H ILE 47 0.702 -10.512 0.908 270 HA ILE 47 HA ILE 47 -1.493 -10.064 2.668 271 HB ILE 47 HB ILE 47 1.059 -11.556 2.741 272 1HG1 ILE 47 1HG1 ILE 47 -0.781 -13.013 4.115 273 2HG1 ILE 47 2HG1 ILE 47 -1.831 -12.021 3.107 274 1HG2 ILE 47 1HG2 ILE 47 1.425 -10.351 4.762 275 2HG2 ILE 47 2HG2 ILE 47 0.856 -11.961 5.205 276 3HG2 ILE 47 3HG2 ILE 47 -0.247 -10.586 5.274 277 1HD1 ILE 47 1HD1 ILE 47 0.263 -13.024 1.480 278 2HD1 ILE 47 2HD1 ILE 47 -1.465 -13.371 1.402 279 3HD1 ILE 47 3HD1 ILE 47 -0.411 -14.361 2.412 280 H TRP 48 H TRP 48 1.841 -8.942 2.555 281 HA TRP 48 HA TRP 48 1.974 -7.481 4.908 282 1HB TRP 48 1HB TRP 48 3.902 -8.021 3.504 283 2HB TRP 48 2HB TRP 48 3.278 -7.007 2.217 284 HD1 TRP 48 HD1 TRP 48 5.639 -6.967 5.028 285 HE1 TRP 48 HE1 TRP 48 6.511 -4.582 5.417 286 HE3 TRP 48 HE3 TRP 48 2.263 -4.342 2.244 287 HZ2 TRP 48 HZ2 TRP 48 5.873 -1.960 4.683 288 HZ3 TRP 48 HZ3 TRP 48 2.460 -1.902 2.144 289 HH2 TRP 48 HH2 TRP 48 4.236 -0.738 3.328 290 H PHE 49 H PHE 49 1.088 -6.407 1.656 291 HA PHE 49 HA PHE 49 0.406 -3.772 2.495 292 1HB PHE 49 1HB PHE 49 0.153 -5.310 -0.040 293 2HB PHE 49 2HB PHE 49 -0.854 -3.872 0.162 294 HD1 PHE 49 HD1 PHE 49 2.559 -5.137 -0.041 295 HD2 PHE 49 HD2 PHE 49 0.100 -1.693 0.287 296 HE1 PHE 49 HE1 PHE 49 4.517 -3.717 -0.491 297 HE2 PHE 49 HE2 PHE 49 2.059 -0.249 -0.158 298 HZ PHE 49 HZ PHE 49 4.275 -1.278 -0.525 299 H GLN 50 H GLN 50 -1.421 -6.688 1.856 300 HA GLN 50 HA GLN 50 -3.963 -5.579 2.178 301 1HB GLN 50 1HB GLN 50 -3.724 -7.738 1.162 302 2HB GLN 50 2HB GLN 50 -2.933 -8.387 2.592 303 1HG GLN 50 1HG GLN 50 -4.861 -8.809 3.623 304 2HG GLN 50 2HG GLN 50 -5.598 -7.301 3.082 305 1HE2 GLN 50 1HE2 GLN 50 -5.832 -10.548 2.901 306 2HE2 GLN 50 2HE2 GLN 50 -6.662 -10.708 1.394 307 H ASN 51 H ASN 51 -1.571 -6.672 4.502 308 HA ASN 51 HA ASN 51 -3.402 -6.652 6.727 309 1HB ASN 51 1HB ASN 51 -0.829 -7.665 6.275 310 2HB ASN 51 2HB ASN 51 -0.615 -6.412 7.493 311 1HD2 ASN 51 1HD2 ASN 51 -1.891 -9.522 6.784 312 2HD2 ASN 51 2HD2 ASN 51 -2.402 -9.919 8.386 313 H LYS 52 H LYS 52 -1.014 -4.458 5.354 314 HA LYS 52 HA LYS 52 -0.936 -2.560 7.405 315 1HB LYS 52 1HB LYS 52 0.340 -2.831 5.043 316 2HB LYS 52 2HB LYS 52 -0.798 -1.558 4.621 317 1HG LYS 52 1HG LYS 52 0.749 -0.168 5.421 318 2HG LYS 52 2HG LYS 52 0.176 -0.673 7.012 319 1HD LYS 52 1HD LYS 52 2.377 -2.085 5.516 320 2HD LYS 52 2HD LYS 52 2.670 -0.781 6.668 321 1HE LYS 52 1HE LYS 52 0.969 -2.531 8.003 322 2HE LYS 52 2HE LYS 52 2.098 -3.577 7.144 323 1HZ LYS 52 1HZ LYS 52 3.356 -3.203 8.953 324 2HZ LYS 52 2HZ LYS 52 2.572 -1.760 9.355 325 3HZ LYS 52 3HZ LYS 52 3.765 -1.767 8.156 326 H ARG 53 H ARG 53 -3.217 -3.041 4.782 327 HA ARG 53 HA ARG 53 -4.876 -0.883 5.912 328 1HB ARG 53 1HB ARG 53 -4.954 -1.733 3.022 329 2HB ARG 53 2HB ARG 53 -5.647 -0.290 3.750 330 1HG ARG 53 1HG ARG 53 -2.699 -0.853 3.506 331 2HG ARG 53 2HG ARG 53 -3.633 0.177 2.419 332 1HD ARG 53 1HD ARG 53 -4.310 1.304 4.739 333 2HD ARG 53 2HD ARG 53 -2.736 0.659 5.204 334 HE ARG 53 HE ARG 53 -2.520 2.028 2.749 335 1HH1 ARG 53 1HH1 ARG 53 -2.974 2.630 6.156 336 2HH1 ARG 53 2HH1 ARG 53 -2.245 4.199 6.103 337 1HH2 ARG 53 1HH2 ARG 53 -1.562 4.092 2.677 338 2HH2 ARG 53 2HH2 ARG 53 -1.444 5.031 4.128 339 H ALA 54 H ALA 54 -6.302 -1.995 7.126 340 HA ALA 54 HA ALA 54 -8.025 -3.912 5.726 341 1HB ALA 54 1HB ALA 54 -6.711 -5.449 6.846 342 2HB ALA 54 2HB ALA 54 -8.043 -5.205 7.977 343 3HB ALA 54 3HB ALA 54 -6.496 -4.401 8.247 344 H LYS 55 H LYS 55 -8.284 -1.094 6.575 345 HA LYS 55 HA LYS 55 -10.924 -1.210 7.575 346 1HB LYS 55 1HB LYS 55 -9.722 -1.686 9.688 347 2HB LYS 55 2HB LYS 55 -8.851 -0.169 9.516 348 1HG LYS 55 1HG LYS 55 -10.522 0.398 10.987 349 2HG LYS 55 2HG LYS 55 -11.217 0.888 9.442 350 1HD LYS 55 1HD LYS 55 -11.891 -1.830 9.838 351 2HD LYS 55 2HD LYS 55 -12.221 -0.986 11.352 352 1HE LYS 55 1HE LYS 55 -13.227 -0.183 8.624 353 2HE LYS 55 2HE LYS 55 -14.173 -0.990 9.874 354 1HZ LYS 55 1HZ LYS 55 -14.529 1.433 9.781 355 2HZ LYS 55 2HZ LYS 55 -12.907 1.677 10.192 356 3HZ LYS 55 3HZ LYS 55 -13.949 0.915 11.285 357 H ILE 56 H ILE 56 -8.027 0.853 7.527 358 HA ILE 56 HA ILE 56 -7.675 2.977 6.790 359 HB ILE 56 HB ILE 56 -10.086 2.549 5.028 360 1HG1 ILE 56 1HG1 ILE 56 -7.408 2.035 3.911 361 2HG1 ILE 56 2HG1 ILE 56 -7.934 0.860 5.111 362 1HG2 ILE 56 1HG2 ILE 56 -9.499 4.752 4.752 363 2HG2 ILE 56 2HG2 ILE 56 -8.509 3.981 3.513 364 3HG2 ILE 56 3HG2 ILE 56 -7.788 4.447 5.053 365 1HD1 ILE 56 1HD1 ILE 56 -9.837 0.278 3.831 366 2HD1 ILE 56 2HD1 ILE 56 -8.460 0.296 2.730 367 3HD1 ILE 56 3HD1 ILE 56 -9.600 1.642 2.739 368 H LYS 57 H LYS 57 -8.233 3.916 8.804 369 HA LYS 57 HA LYS 57 -10.944 5.022 9.000 370 1HB LYS 57 1HB LYS 57 -9.546 3.709 10.886 371 2HB LYS 57 2HB LYS 57 -9.022 5.350 11.235 372 1HG LYS 57 1HG LYS 57 -11.876 4.397 11.142 373 2HG LYS 57 2HG LYS 57 -10.933 4.715 12.599 374 1HD LYS 57 1HD LYS 57 -11.819 6.772 12.499 375 2HD LYS 57 2HD LYS 57 -10.653 7.055 11.204 376 1HE LYS 57 1HE LYS 57 -12.282 6.508 9.535 377 2HE LYS 57 2HE LYS 57 -13.434 5.980 10.761 378 1HZ LYS 57 1HZ LYS 57 -13.666 8.318 9.733 379 2HZ LYS 57 2HZ LYS 57 -12.417 8.744 10.790 380 3HZ LYS 57 3HZ LYS 57 -13.870 8.134 11.403 381 H LYS 58 H LYS 58 -10.263 6.535 7.247 382 HA LYS 58 HA LYS 58 -8.502 8.688 8.138 383 1HB LYS 58 1HB LYS 58 -9.679 7.902 5.494 384 2HB LYS 58 2HB LYS 58 -9.069 9.533 5.737 385 1HG LYS 58 1HG LYS 58 -7.461 7.024 6.158 386 2HG LYS 58 2HG LYS 58 -7.428 8.012 4.697 387 1HD LYS 58 1HD LYS 58 -6.932 9.928 6.472 388 2HD LYS 58 2HD LYS 58 -6.309 8.558 7.393 389 1HE LYS 58 1HE LYS 58 -4.412 9.022 6.260 390 2HE LYS 58 2HE LYS 58 -5.185 8.050 5.008 391 1HZ LYS 58 1HZ LYS 58 -4.276 10.204 4.219 392 2HZ LYS 58 2HZ LYS 58 -5.418 11.003 5.178 393 3HZ LYS 58 3HZ LYS 58 -5.928 10.010 3.910 394 H SER 59 H SER 59 -9.361 10.939 7.213 395 HA SER 59 HA SER 59 -12.044 11.291 8.372 396 1HB SER 59 1HB SER 59 -11.307 13.681 8.725 397 2HB SER 59 2HB SER 59 -10.419 12.486 9.668 398 HG SER 59 HG SER 59 -8.735 12.624 8.168 Start of MODEL 18 1 1H ALA 16 1H ALA 16 -15.690 11.967 -11.839 2 2H ALA 16 2H ALA 16 -14.508 11.270 -12.868 3 3H ALA 16 3H ALA 16 -14.902 12.934 -13.014 4 HA ALA 16 HA ALA 16 -12.787 12.308 -11.842 5 1HB ALA 16 1HB ALA 16 -13.678 14.551 -11.847 6 2HB ALA 16 2HB ALA 16 -13.099 14.150 -10.229 7 3HB ALA 16 3HB ALA 16 -14.828 14.130 -10.577 8 H LYS 17 H LYS 17 -15.543 12.481 -9.588 9 HA LYS 17 HA LYS 17 -14.145 10.645 -7.804 10 1HB LYS 17 1HB LYS 17 -15.275 12.848 -7.080 11 2HB LYS 17 2HB LYS 17 -16.787 11.966 -7.238 12 1HG LYS 17 1HG LYS 17 -16.519 11.164 -5.196 13 2HG LYS 17 2HG LYS 17 -15.040 10.353 -5.715 14 1HD LYS 17 1HD LYS 17 -13.686 11.977 -4.855 15 2HD LYS 17 2HD LYS 17 -14.879 13.253 -5.100 16 1HE LYS 17 1HE LYS 17 -14.967 13.082 -2.827 17 2HE LYS 17 2HE LYS 17 -16.193 11.890 -3.259 18 1HZ LYS 17 1HZ LYS 17 -14.701 10.135 -2.873 19 2HZ LYS 17 2HZ LYS 17 -14.494 11.183 -1.561 20 3HZ LYS 17 3HZ LYS 17 -13.357 11.162 -2.813 21 H ARG 18 H ARG 18 -14.524 8.543 -7.936 22 HA ARG 18 HA ARG 18 -17.086 7.397 -7.846 23 1HB ARG 18 1HB ARG 18 -16.979 8.253 -10.258 24 2HB ARG 18 2HB ARG 18 -15.779 6.998 -10.532 25 1HG ARG 18 1HG ARG 18 -17.429 5.309 -9.817 26 2HG ARG 18 2HG ARG 18 -18.630 6.592 -9.654 27 1HD ARG 18 1HD ARG 18 -18.424 7.114 -12.018 28 2HD ARG 18 2HD ARG 18 -17.169 5.889 -12.197 29 HE ARG 18 HE ARG 18 -19.999 5.464 -12.124 30 1HH1 ARG 18 1HH1 ARG 18 -16.900 4.009 -11.446 31 2HH1 ARG 18 2HH1 ARG 18 -17.483 2.388 -11.619 32 1HH2 ARG 18 1HH2 ARG 18 -20.767 3.332 -12.351 33 2HH2 ARG 18 2HH2 ARG 18 -19.679 2.002 -12.134 34 H GLU 19 H GLU 19 -13.814 6.861 -9.126 35 HA GLU 19 HA GLU 19 -13.343 4.750 -7.244 36 1HB GLU 19 1HB GLU 19 -14.149 4.130 -10.009 37 2HB GLU 19 2HB GLU 19 -12.692 3.306 -9.469 38 1HG GLU 19 1HG GLU 19 -13.820 1.946 -8.104 39 2HG GLU 19 2HG GLU 19 -14.879 3.236 -7.533 40 H PHE 20 H PHE 20 -11.151 4.137 -7.131 41 HA PHE 20 HA PHE 20 -9.333 5.787 -8.760 42 1HB PHE 20 1HB PHE 20 -7.866 6.002 -6.817 43 2HB PHE 20 2HB PHE 20 -9.470 6.627 -6.450 44 HD1 PHE 20 HD1 PHE 20 -7.369 3.584 -6.097 45 HD2 PHE 20 HD2 PHE 20 -10.597 5.894 -4.564 46 HE1 PHE 20 HE1 PHE 20 -7.484 2.111 -4.129 47 HE2 PHE 20 HE2 PHE 20 -10.718 4.426 -2.593 48 HZ PHE 20 HZ PHE 20 -9.159 2.530 -2.374 49 H ASN 21 H ASN 21 -6.938 4.846 -8.207 50 HA ASN 21 HA ASN 21 -6.903 2.289 -9.476 51 1HB ASN 21 1HB ASN 21 -4.534 3.610 -8.181 52 2HB ASN 21 2HB ASN 21 -4.558 2.508 -9.553 53 1HD2 ASN 21 1HD2 ASN 21 -5.726 3.315 -11.495 54 2HD2 ASN 21 2HD2 ASN 21 -5.551 4.986 -11.894 55 H GLU 22 H GLU 22 -7.755 0.694 -8.236 56 HA GLU 22 HA GLU 22 -7.354 0.354 -5.479 57 1HB GLU 22 1HB GLU 22 -8.665 -1.050 -7.589 58 2HB GLU 22 2HB GLU 22 -7.676 -2.205 -6.705 59 1HG GLU 22 1HG GLU 22 -9.072 -2.220 -4.982 60 2HG GLU 22 2HG GLU 22 -9.133 -0.460 -4.919 61 H ASN 23 H ASN 23 -5.177 0.663 -5.023 62 HA ASN 23 HA ASN 23 -3.037 0.032 -4.601 63 1HB ASN 23 1HB ASN 23 -3.648 -2.718 -5.641 64 2HB ASN 23 2HB ASN 23 -2.511 -2.240 -4.388 65 1HD2 ASN 23 1HD2 ASN 23 -4.012 -0.672 -2.773 66 2HD2 ASN 23 2HD2 ASN 23 -5.294 -1.590 -2.068 67 H ARG 24 H ARG 24 -2.237 1.344 -6.197 68 HA ARG 24 HA ARG 24 -0.755 0.068 -8.258 69 1HB ARG 24 1HB ARG 24 -2.304 0.098 -9.886 70 2HB ARG 24 2HB ARG 24 -3.416 1.039 -8.902 71 1HG ARG 24 1HG ARG 24 -2.561 3.076 -9.695 72 2HG ARG 24 2HG ARG 24 -1.128 2.305 -10.379 73 1HD ARG 24 1HD ARG 24 -3.322 1.039 -11.578 74 2HD ARG 24 2HD ARG 24 -3.708 2.759 -11.572 75 HE ARG 24 HE ARG 24 -2.030 3.115 -13.096 76 1HH1 ARG 24 1HH1 ARG 24 -1.716 -0.101 -11.778 77 2HH1 ARG 24 2HH1 ARG 24 -0.507 -0.586 -12.919 78 1HH2 ARG 24 1HH2 ARG 24 -0.442 2.478 -14.598 79 2HH2 ARG 24 2HH2 ARG 24 0.216 0.877 -14.520 80 H TYR 25 H TYR 25 -2.285 3.227 -7.696 81 HA TYR 25 HA TYR 25 -0.467 4.985 -8.580 82 1HB TYR 25 1HB TYR 25 -1.221 6.546 -6.863 83 2HB TYR 25 2HB TYR 25 -2.581 5.590 -7.448 84 HD1 TYR 25 HD1 TYR 25 -2.900 3.304 -6.032 85 HD2 TYR 25 HD2 TYR 25 -1.123 6.887 -4.584 86 HE1 TYR 25 HE1 TYR 25 -3.395 2.609 -3.738 87 HE2 TYR 25 HE2 TYR 25 -1.623 6.204 -2.275 88 HH TYR 25 HH TYR 25 -2.033 4.066 -1.035 89 H LEU 26 H LEU 26 -0.268 3.395 -5.413 90 HA LEU 26 HA LEU 26 2.576 4.133 -5.317 91 1HB LEU 26 1HB LEU 26 2.435 4.853 -3.187 92 2HB LEU 26 2HB LEU 26 0.763 5.129 -3.621 93 HG LEU 26 HG LEU 26 0.729 4.132 -1.487 94 1HD1 LEU 26 1HD1 LEU 26 0.227 1.576 -2.763 95 2HD1 LEU 26 2HD1 LEU 26 -0.510 2.924 -3.626 96 3HD1 LEU 26 3HD1 LEU 26 -0.876 2.663 -1.923 97 1HD2 LEU 26 1HD2 LEU 26 2.167 2.599 -0.685 98 2HD2 LEU 26 2HD2 LEU 26 3.156 3.116 -2.050 99 3HD2 LEU 26 3HD2 LEU 26 2.169 1.660 -2.179 100 H THR 27 H THR 27 0.245 1.644 -5.193 101 HA THR 27 HA THR 27 1.535 -0.312 -3.694 102 HB THR 27 HB THR 27 -0.325 -0.503 -6.060 103 HG1 THR 27 HG1 THR 27 -1.125 0.318 -4.052 104 1HG2 THR 27 1HG2 THR 27 -0.676 -2.863 -4.835 105 2HG2 THR 27 2HG2 THR 27 1.067 -2.669 -4.644 106 3HG2 THR 27 3HG2 THR 27 0.346 -2.633 -6.253 107 H GLU 28 H GLU 28 1.525 -0.020 -7.252 108 HA GLU 28 HA GLU 28 3.533 -1.925 -7.699 109 1HB GLU 28 1HB GLU 28 2.168 0.156 -9.285 110 2HB GLU 28 2HB GLU 28 3.754 -0.318 -9.876 111 1HG GLU 28 1HG GLU 28 2.624 -2.737 -9.397 112 2HG GLU 28 2HG GLU 28 1.221 -1.785 -9.879 113 H ARG 29 H ARG 29 3.728 1.616 -7.482 114 HA ARG 29 HA ARG 29 6.472 1.841 -8.028 115 1HB ARG 29 1HB ARG 29 4.466 3.615 -7.674 116 2HB ARG 29 2HB ARG 29 5.296 3.785 -6.133 117 1HG ARG 29 1HG ARG 29 6.530 5.295 -7.226 118 2HG ARG 29 2HG ARG 29 7.386 3.885 -7.850 119 1HD ARG 29 1HD ARG 29 4.986 4.528 -9.372 120 2HD ARG 29 2HD ARG 29 6.162 5.841 -9.354 121 HE ARG 29 HE ARG 29 7.611 4.543 -10.591 122 1HH1 ARG 29 1HH1 ARG 29 4.905 2.604 -9.539 123 2HH1 ARG 29 2HH1 ARG 29 5.287 1.281 -10.587 124 1HH2 ARG 29 1HH2 ARG 29 8.115 2.803 -11.967 125 2HH2 ARG 29 2HH2 ARG 29 7.110 1.392 -11.964 126 H ARG 30 H ARG 30 4.731 1.519 -4.962 127 HA ARG 30 HA ARG 30 7.148 1.598 -3.400 128 1HB ARG 30 1HB ARG 30 4.937 2.410 -2.570 129 2HB ARG 30 2HB ARG 30 4.379 0.742 -2.546 130 1HG ARG 30 1HG ARG 30 5.193 0.508 -0.505 131 2HG ARG 30 2HG ARG 30 6.816 0.831 -1.119 132 1HD ARG 30 1HD ARG 30 6.791 3.000 -0.437 133 2HD ARG 30 2HD ARG 30 5.054 3.170 -0.682 134 HE ARG 30 HE ARG 30 5.752 1.446 1.511 135 1HH1 ARG 30 1HH1 ARG 30 5.167 4.747 0.538 136 2HH1 ARG 30 2HH1 ARG 30 4.755 5.277 2.133 137 1HH2 ARG 30 1HH2 ARG 30 5.208 2.142 3.612 138 2HH2 ARG 30 2HH2 ARG 30 4.778 3.798 3.879 139 H ARG 31 H ARG 31 5.223 -0.848 -4.922 140 HA ARG 31 HA ARG 31 5.934 -3.076 -3.382 141 1HB ARG 31 1HB ARG 31 4.825 -2.601 -6.071 142 2HB ARG 31 2HB ARG 31 5.671 -4.130 -5.882 143 1HG ARG 31 1HG ARG 31 4.182 -4.900 -4.275 144 2HG ARG 31 2HG ARG 31 3.589 -3.279 -3.909 145 1HD ARG 31 1HD ARG 31 1.898 -4.416 -5.156 146 2HD ARG 31 2HD ARG 31 2.619 -3.196 -6.205 147 HE ARG 31 HE ARG 31 4.014 -5.515 -6.695 148 1HH1 ARG 31 1HH1 ARG 31 0.687 -4.487 -6.909 149 2HH1 ARG 31 2HH1 ARG 31 0.309 -5.559 -8.216 150 1HH2 ARG 31 1HH2 ARG 31 3.521 -6.925 -8.413 151 2HH2 ARG 31 2HH2 ARG 31 1.918 -6.945 -9.069 152 H GLN 32 H GLN 32 7.514 -1.586 -6.171 153 HA GLN 32 HA GLN 32 9.546 -3.532 -6.451 154 1HB GLN 32 1HB GLN 32 9.620 -0.620 -7.255 155 2HB GLN 32 2HB GLN 32 10.668 -1.893 -7.866 156 1HG GLN 32 1HG GLN 32 7.759 -2.310 -8.165 157 2HG GLN 32 2HG GLN 32 8.491 -1.043 -9.151 158 1HE2 GLN 32 1HE2 GLN 32 8.822 -4.443 -8.253 159 2HE2 GLN 32 2HE2 GLN 32 9.471 -4.965 -9.767 160 H GLN 33 H GLN 33 9.371 -0.485 -4.669 161 HA GLN 33 HA GLN 33 12.095 -0.592 -3.797 162 1HB GLN 33 1HB GLN 33 9.796 1.037 -2.702 163 2HB GLN 33 2HB GLN 33 11.503 1.308 -2.376 164 1HG GLN 33 1HG GLN 33 11.585 1.447 -5.026 165 2HG GLN 33 2HG GLN 33 9.905 1.926 -4.788 166 1HE2 GLN 33 1HE2 GLN 33 10.647 3.960 -5.706 167 2HE2 GLN 33 2HE2 GLN 33 11.377 5.134 -4.669 168 H LEU 34 H LEU 34 8.975 -1.438 -2.353 169 HA LEU 34 HA LEU 34 9.950 -1.991 0.233 170 1HB LEU 34 1HB LEU 34 7.482 -2.553 -1.286 171 2HB LEU 34 2HB LEU 34 7.817 -3.646 0.044 172 HG LEU 34 HG LEU 34 7.582 -0.644 0.264 173 1HD1 LEU 34 1HD1 LEU 34 5.441 -0.900 0.997 174 2HD1 LEU 34 2HD1 LEU 34 5.719 -2.540 1.584 175 3HD1 LEU 34 3HD1 LEU 34 5.522 -2.244 -0.143 176 1HD2 LEU 34 1HD2 LEU 34 7.387 -1.542 2.778 177 2HD2 LEU 34 2HD2 LEU 34 8.917 -1.056 2.046 178 3HD2 LEU 34 3HD2 LEU 34 8.478 -2.763 2.121 179 H SER 35 H SER 35 9.572 -4.007 -2.639 180 HA SER 35 HA SER 35 10.230 -6.459 -1.422 181 1HB SER 35 1HB SER 35 10.451 -7.332 -3.630 182 2HB SER 35 2HB SER 35 9.182 -6.110 -3.714 183 HG SER 35 HG SER 35 11.275 -6.223 -5.216 184 H SER 36 H SER 36 12.227 -4.173 -3.286 185 HA SER 36 HA SER 36 14.653 -5.586 -2.892 186 1HB SER 36 1HB SER 36 14.198 -2.684 -3.621 187 2HB SER 36 2HB SER 36 15.734 -3.539 -3.756 188 HG SER 36 HG SER 36 13.372 -4.403 -5.056 189 H GLU 37 H GLU 37 13.182 -2.822 -1.231 190 HA GLU 37 HA GLU 37 15.392 -2.345 0.488 191 1HB GLU 37 1HB GLU 37 12.495 -1.520 0.659 192 2HB GLU 37 2HB GLU 37 13.726 -0.982 1.793 193 1HG GLU 37 1HG GLU 37 14.019 -0.565 -1.159 194 2HG GLU 37 2HG GLU 37 13.122 0.562 -0.144 195 H LEU 38 H LEU 38 12.226 -3.881 1.080 196 HA LEU 38 HA LEU 38 13.094 -4.764 3.696 197 1HB LEU 38 1HB LEU 38 10.609 -4.301 2.423 198 2HB LEU 38 2HB LEU 38 10.640 -5.996 2.872 199 HG LEU 38 HG LEU 38 11.472 -4.967 5.190 200 1HD1 LEU 38 1HD1 LEU 38 9.487 -2.879 4.567 201 2HD1 LEU 38 2HD1 LEU 38 11.096 -2.654 3.883 202 3HD1 LEU 38 3HD1 LEU 38 10.897 -2.831 5.626 203 1HD2 LEU 38 1HD2 LEU 38 8.636 -5.185 4.197 204 2HD2 LEU 38 2HD2 LEU 38 9.071 -4.973 5.894 205 3HD2 LEU 38 3HD2 LEU 38 9.586 -6.419 5.025 206 H GLY 39 H GLY 39 13.255 -5.985 0.525 207 1HA GLY 39 1HA GLY 39 14.095 -7.978 -0.264 208 2HA GLY 39 2HA GLY 39 14.501 -8.392 1.396 209 H LEU 40 H LEU 40 11.263 -7.567 0.388 210 HA LEU 40 HA LEU 40 10.407 -10.285 1.082 211 1HB LEU 40 1HB LEU 40 9.122 -7.601 1.148 212 2HB LEU 40 2HB LEU 40 8.093 -8.997 0.896 213 HG LEU 40 HG LEU 40 9.894 -8.539 3.272 214 1HD1 LEU 40 1HD1 LEU 40 7.066 -7.963 2.677 215 2HD1 LEU 40 2HD1 LEU 40 8.170 -7.196 3.822 216 3HD1 LEU 40 3HD1 LEU 40 7.387 -8.721 4.239 217 1HD2 LEU 40 1HD2 LEU 40 8.306 -10.532 4.036 218 2HD2 LEU 40 2HD2 LEU 40 9.854 -10.813 3.237 219 3HD2 LEU 40 3HD2 LEU 40 8.356 -10.883 2.308 220 H ASN 41 H ASN 41 8.881 -11.390 -0.206 221 HA ASN 41 HA ASN 41 9.174 -10.854 -3.047 222 1HB ASN 41 1HB ASN 41 9.437 -13.163 -2.203 223 2HB ASN 41 2HB ASN 41 7.776 -13.131 -1.619 224 1HD2 ASN 41 1HD2 ASN 41 6.625 -14.416 -2.862 225 2HD2 ASN 41 2HD2 ASN 41 6.646 -14.446 -4.589 226 H GLU 42 H GLU 42 7.363 -10.605 -4.464 227 HA GLU 42 HA GLU 42 5.430 -8.807 -3.639 228 1HB GLU 42 1HB GLU 42 5.107 -10.798 -5.896 229 2HB GLU 42 2HB GLU 42 4.297 -9.245 -5.736 230 1HG GLU 42 1HG GLU 42 5.908 -8.528 -7.108 231 2HG GLU 42 2HG GLU 42 6.884 -8.472 -5.641 232 H ALA 43 H ALA 43 5.410 -12.302 -3.585 233 HA ALA 43 HA ALA 43 2.665 -12.726 -3.118 234 1HB ALA 43 1HB ALA 43 4.713 -14.518 -1.894 235 2HB ALA 43 2HB ALA 43 4.607 -14.402 -3.651 236 3HB ALA 43 3HB ALA 43 3.206 -14.926 -2.714 237 H GLN 44 H GLN 44 5.357 -12.042 -0.951 238 HA GLN 44 HA GLN 44 3.767 -12.326 1.445 239 1HB GLN 44 1HB GLN 44 6.566 -11.480 0.802 240 2HB GLN 44 2HB GLN 44 5.891 -11.065 2.371 241 1HG GLN 44 1HG GLN 44 5.375 -13.820 1.833 242 2HG GLN 44 2HG GLN 44 7.086 -13.485 1.574 243 1HE2 GLN 44 1HE2 GLN 44 4.881 -11.932 3.841 244 2HE2 GLN 44 2HE2 GLN 44 5.711 -12.428 5.273 245 H ILE 45 H ILE 45 4.754 -9.872 -0.762 246 HA ILE 45 HA ILE 45 4.174 -7.598 0.785 247 HB ILE 45 HB ILE 45 4.352 -8.031 -2.188 248 1HG1 ILE 45 1HG1 ILE 45 6.273 -7.846 -0.155 249 2HG1 ILE 45 2HG1 ILE 45 6.559 -7.757 -1.889 250 1HG2 ILE 45 1HG2 ILE 45 4.022 -5.428 -0.718 251 2HG2 ILE 45 2HG2 ILE 45 2.856 -6.159 -1.820 252 3HG2 ILE 45 3HG2 ILE 45 4.410 -5.588 -2.428 253 1HD1 ILE 45 1HD1 ILE 45 6.366 -5.349 -1.818 254 2HD1 ILE 45 2HD1 ILE 45 7.593 -5.912 -0.684 255 3HD1 ILE 45 3HD1 ILE 45 6.007 -5.406 -0.090 256 H LYS 46 H LYS 46 2.195 -9.578 -1.398 257 HA LYS 46 HA LYS 46 -0.047 -7.942 -1.601 258 1HB LYS 46 1HB LYS 46 0.524 -10.340 -2.598 259 2HB LYS 46 2HB LYS 46 -0.443 -10.879 -1.232 260 1HG LYS 46 1HG LYS 46 -2.282 -9.413 -2.024 261 2HG LYS 46 2HG LYS 46 -1.312 -9.043 -3.452 262 1HD LYS 46 1HD LYS 46 -1.225 -11.515 -3.905 263 2HD LYS 46 2HD LYS 46 -2.412 -11.720 -2.615 264 1HE LYS 46 1HE LYS 46 -4.034 -10.439 -3.796 265 2HE LYS 46 2HE LYS 46 -2.842 -9.915 -4.986 266 1HZ LYS 46 1HZ LYS 46 -2.977 -11.851 -6.107 267 2HZ LYS 46 2HZ LYS 46 -4.513 -11.922 -5.403 268 3HZ LYS 46 3HZ LYS 46 -3.230 -12.787 -4.721 269 H ILE 47 H ILE 47 0.784 -10.362 0.831 270 HA ILE 47 HA ILE 47 -1.504 -9.951 2.491 271 HB ILE 47 HB ILE 47 1.057 -11.419 2.652 272 1HG1 ILE 47 1HG1 ILE 47 -0.813 -12.906 3.956 273 2HG1 ILE 47 2HG1 ILE 47 -1.840 -11.919 2.921 274 1HG2 ILE 47 1HG2 ILE 47 0.754 -11.843 5.113 275 2HG2 ILE 47 2HG2 ILE 47 -0.332 -10.454 5.142 276 3HG2 ILE 47 3HG2 ILE 47 1.360 -10.241 4.688 277 1HD1 ILE 47 1HD1 ILE 47 0.512 -13.306 1.738 278 2HD1 ILE 47 2HD1 ILE 47 -1.021 -12.851 0.995 279 3HD1 ILE 47 3HD1 ILE 47 -0.949 -14.223 2.102 280 H TRP 48 H TRP 48 1.762 -8.755 2.383 281 HA TRP 48 HA TRP 48 1.961 -7.353 4.763 282 1HB TRP 48 1HB TRP 48 3.811 -7.833 3.224 283 2HB TRP 48 2HB TRP 48 3.105 -6.767 2.027 284 HD1 TRP 48 HD1 TRP 48 5.581 -6.832 4.755 285 HE1 TRP 48 HE1 TRP 48 6.488 -4.467 5.154 286 HE3 TRP 48 HE3 TRP 48 2.134 -4.134 2.132 287 HZ2 TRP 48 HZ2 TRP 48 5.854 -1.824 4.482 288 HZ3 TRP 48 HZ3 TRP 48 2.357 -1.694 2.062 289 HH2 TRP 48 HH2 TRP 48 4.186 -0.568 3.201 290 H PHE 49 H PHE 49 0.898 -6.215 1.584 291 HA PHE 49 HA PHE 49 0.216 -3.612 2.513 292 1HB PHE 49 1HB PHE 49 -0.176 -5.109 -0.033 293 2HB PHE 49 2HB PHE 49 -1.147 -3.659 0.251 294 HD1 PHE 49 HD1 PHE 49 2.207 -4.976 -0.206 295 HD2 PHE 49 HD2 PHE 49 -0.141 -1.499 0.398 296 HE1 PHE 49 HE1 PHE 49 4.171 -3.581 -0.730 297 HE2 PHE 49 HE2 PHE 49 1.814 -0.077 -0.136 298 HZ PHE 49 HZ PHE 49 3.983 -1.137 -0.672 299 H GLN 50 H GLN 50 -1.629 -6.522 1.857 300 HA GLN 50 HA GLN 50 -4.146 -5.413 2.386 301 1HB GLN 50 1HB GLN 50 -4.081 -7.467 1.205 302 2HB GLN 50 2HB GLN 50 -3.088 -8.233 2.435 303 1HG GLN 50 1HG GLN 50 -4.849 -8.841 3.647 304 2HG GLN 50 2HG GLN 50 -5.654 -7.287 3.434 305 1HE2 GLN 50 1HE2 GLN 50 -5.232 -10.497 2.191 306 2HE2 GLN 50 2HE2 GLN 50 -6.548 -10.461 1.073 307 H ASN 51 H ASN 51 -1.629 -6.692 4.456 308 HA ASN 51 HA ASN 51 -3.311 -6.816 6.796 309 1HB ASN 51 1HB ASN 51 -0.440 -7.332 6.188 310 2HB ASN 51 2HB ASN 51 -0.869 -6.967 7.855 311 1HD2 ASN 51 1HD2 ASN 51 0.070 -9.246 7.905 312 2HD2 ASN 51 2HD2 ASN 51 -1.074 -10.535 7.799 313 H LYS 52 H LYS 52 -0.880 -4.620 5.478 314 HA LYS 52 HA LYS 52 -0.705 -2.901 7.700 315 1HB LYS 52 1HB LYS 52 0.582 -3.096 5.298 316 2HB LYS 52 2HB LYS 52 -0.381 -1.644 5.058 317 1HG LYS 52 1HG LYS 52 0.576 -0.854 7.290 318 2HG LYS 52 2HG LYS 52 1.745 -2.162 7.106 319 1HD LYS 52 1HD LYS 52 2.867 -0.390 6.141 320 2HD LYS 52 2HD LYS 52 2.103 -1.135 4.735 321 1HE LYS 52 1HE LYS 52 1.545 1.056 4.383 322 2HE LYS 52 2HE LYS 52 0.154 0.531 5.330 323 1HZ LYS 52 1HZ LYS 52 1.598 2.683 5.912 324 2HZ LYS 52 2HZ LYS 52 2.415 1.536 6.850 325 3HZ LYS 52 3HZ LYS 52 0.758 1.788 7.077 326 H ARG 53 H ARG 53 -2.809 -2.889 4.860 327 HA ARG 53 HA ARG 53 -4.467 -0.855 6.199 328 1HB ARG 53 1HB ARG 53 -5.128 -0.178 3.814 329 2HB ARG 53 2HB ARG 53 -3.543 0.321 4.390 330 1HG ARG 53 1HG ARG 53 -2.506 -1.514 3.175 331 2HG ARG 53 2HG ARG 53 -4.093 -2.055 2.623 332 1HD ARG 53 1HD ARG 53 -4.412 -0.013 1.386 333 2HD ARG 53 2HD ARG 53 -2.919 0.659 2.040 334 HE ARG 53 HE ARG 53 -2.101 -1.608 0.800 335 1HH1 ARG 53 1HH1 ARG 53 -3.996 1.140 -0.221 336 2HH1 ARG 53 2HH1 ARG 53 -3.486 1.036 -1.873 337 1HH2 ARG 53 1HH2 ARG 53 -1.429 -1.746 -1.372 338 2HH2 ARG 53 2HH2 ARG 53 -2.029 -0.603 -2.526 339 H ALA 54 H ALA 54 -6.090 -2.071 6.997 340 HA ALA 54 HA ALA 54 -7.580 -3.740 5.079 341 1HB ALA 54 1HB ALA 54 -7.702 -5.496 6.498 342 2HB ALA 54 2HB ALA 54 -7.738 -4.472 7.933 343 3HB ALA 54 3HB ALA 54 -6.207 -4.801 7.124 344 H LYS 55 H LYS 55 -7.931 -0.925 5.913 345 HA LYS 55 HA LYS 55 -10.714 -1.160 6.814 346 1HB LYS 55 1HB LYS 55 -8.520 0.384 8.075 347 2HB LYS 55 2HB LYS 55 -10.068 1.205 7.933 348 1HG LYS 55 1HG LYS 55 -10.664 -1.345 8.909 349 2HG LYS 55 2HG LYS 55 -9.233 -0.815 9.794 350 1HD LYS 55 1HD LYS 55 -11.165 -0.097 11.012 351 2HD LYS 55 2HD LYS 55 -10.420 1.327 10.281 352 1HE LYS 55 1HE LYS 55 -12.056 1.250 8.465 353 2HE LYS 55 2HE LYS 55 -12.796 -0.177 9.189 354 1HZ LYS 55 1HZ LYS 55 -13.713 1.039 10.874 355 2HZ LYS 55 2HZ LYS 55 -13.757 2.189 9.636 356 3HZ LYS 55 3HZ LYS 55 -12.541 2.256 10.808 357 H ILE 56 H ILE 56 -8.365 1.298 5.727 358 HA ILE 56 HA ILE 56 -8.465 2.882 4.096 359 HB ILE 56 HB ILE 56 -10.721 1.295 2.880 360 1HG1 ILE 56 1HG1 ILE 56 -7.739 0.901 2.537 361 2HG1 ILE 56 2HG1 ILE 56 -8.832 -0.204 3.365 362 1HG2 ILE 56 1HG2 ILE 56 -10.418 2.503 0.996 363 2HG2 ILE 56 2HG2 ILE 56 -8.677 2.650 1.240 364 3HG2 ILE 56 3HG2 ILE 56 -9.784 3.695 2.131 365 1HD1 ILE 56 1HD1 ILE 56 -8.979 -1.260 1.417 366 2HD1 ILE 56 2HD1 ILE 56 -8.266 0.091 0.536 367 3HD1 ILE 56 3HD1 ILE 56 -9.994 0.083 0.892 368 H LYS 57 H LYS 57 -9.187 4.572 5.366 369 HA LYS 57 HA LYS 57 -12.039 5.220 5.068 370 1HB LYS 57 1HB LYS 57 -11.482 4.401 7.385 371 2HB LYS 57 2HB LYS 57 -10.430 5.801 7.557 372 1HG LYS 57 1HG LYS 57 -12.709 7.012 6.792 373 2HG LYS 57 2HG LYS 57 -13.364 5.611 7.641 374 1HD LYS 57 1HD LYS 57 -11.510 6.344 9.416 375 2HD LYS 57 2HD LYS 57 -11.817 7.917 8.677 376 1HE LYS 57 1HE LYS 57 -14.132 6.228 9.496 377 2HE LYS 57 2HE LYS 57 -13.222 7.084 10.740 378 1HZ LYS 57 1HZ LYS 57 -13.821 9.128 9.895 379 2HZ LYS 57 2HZ LYS 57 -15.231 8.230 9.638 380 3HZ LYS 57 3HZ LYS 57 -14.171 8.525 8.353 381 H LYS 58 H LYS 58 -12.477 7.266 4.452 382 HA LYS 58 HA LYS 58 -10.208 8.979 3.825 383 1HB LYS 58 1HB LYS 58 -12.470 8.389 2.432 384 2HB LYS 58 2HB LYS 58 -12.931 9.913 3.177 385 1HG LYS 58 1HG LYS 58 -10.282 10.095 2.073 386 2HG LYS 58 2HG LYS 58 -11.430 9.536 0.855 387 1HD LYS 58 1HD LYS 58 -12.919 11.465 1.645 388 2HD LYS 58 2HD LYS 58 -11.475 12.082 2.450 389 1HE LYS 58 1HE LYS 58 -10.523 12.729 0.517 390 2HE LYS 58 2HE LYS 58 -11.081 11.300 -0.352 391 1HZ LYS 58 1HZ LYS 58 -12.393 12.804 -1.359 392 2HZ LYS 58 2HZ LYS 58 -12.328 13.909 -0.081 393 3HZ LYS 58 3HZ LYS 58 -13.379 12.585 -0.001 394 H SER 59 H SER 59 -9.875 11.011 4.644 395 HA SER 59 HA SER 59 -11.128 11.567 7.192 396 1HB SER 59 1HB SER 59 -8.747 12.564 5.712 397 2HB SER 59 2HB SER 59 -9.490 13.664 6.874 398 HG SER 59 HG SER 59 -8.994 12.323 8.492 Start of MODEL 19 1 1H ALA 16 1H ALA 16 -15.398 16.807 -6.627 2 2H ALA 16 2H ALA 16 -14.218 17.023 -5.398 3 3H ALA 16 3H ALA 16 -15.330 18.281 -5.754 4 HA ALA 16 HA ALA 16 -15.961 17.210 -3.768 5 1HB ALA 16 1HB ALA 16 -17.904 17.894 -4.709 6 2HB ALA 16 2HB ALA 16 -18.196 16.156 -4.786 7 3HB ALA 16 3HB ALA 16 -17.615 17.016 -6.211 8 H LYS 17 H LYS 17 -16.333 14.849 -6.422 9 HA LYS 17 HA LYS 17 -16.250 12.652 -4.553 10 1HB LYS 17 1HB LYS 17 -17.188 13.064 -7.206 11 2HB LYS 17 2HB LYS 17 -16.009 11.761 -7.258 12 1HG LYS 17 1HG LYS 17 -18.088 11.681 -5.140 13 2HG LYS 17 2HG LYS 17 -18.561 11.307 -6.798 14 1HD LYS 17 1HD LYS 17 -16.470 9.748 -6.746 15 2HD LYS 17 2HD LYS 17 -16.660 9.867 -4.995 16 1HE LYS 17 1HE LYS 17 -18.722 8.811 -5.017 17 2HE LYS 17 2HE LYS 17 -19.008 9.188 -6.715 18 1HZ LYS 17 1HZ LYS 17 -16.931 7.292 -5.770 19 2HZ LYS 17 2HZ LYS 17 -17.416 7.559 -7.368 20 3HZ LYS 17 3HZ LYS 17 -18.477 6.823 -6.274 21 H ARG 18 H ARG 18 -14.571 11.335 -4.117 22 HA ARG 18 HA ARG 18 -11.946 12.164 -4.933 23 1HB ARG 18 1HB ARG 18 -12.691 9.692 -3.367 24 2HB ARG 18 2HB ARG 18 -11.128 10.495 -3.410 25 1HG ARG 18 1HG ARG 18 -13.648 11.709 -2.299 26 2HG ARG 18 2HG ARG 18 -12.392 10.926 -1.339 27 1HD ARG 18 1HD ARG 18 -11.584 13.096 -3.200 28 2HD ARG 18 2HD ARG 18 -12.436 13.548 -1.724 29 HE ARG 18 HE ARG 18 -10.493 11.901 -0.826 30 1HH1 ARG 18 1HH1 ARG 18 -10.458 14.718 -2.884 31 2HH1 ARG 18 2HH1 ARG 18 -8.869 15.207 -2.400 32 1HH2 ARG 18 1HH2 ARG 18 -8.404 12.542 -0.188 33 2HH2 ARG 18 2HH2 ARG 18 -7.702 13.972 -0.869 34 H GLU 19 H GLU 19 -11.018 11.576 -6.769 35 HA GLU 19 HA GLU 19 -11.475 8.855 -7.779 36 1HB GLU 19 1HB GLU 19 -12.339 11.267 -9.011 37 2HB GLU 19 2HB GLU 19 -11.026 10.620 -9.984 38 1HG GLU 19 1HG GLU 19 -13.009 8.634 -9.153 39 2HG GLU 19 2HG GLU 19 -13.633 9.904 -10.203 40 H PHE 20 H PHE 20 -9.460 8.264 -6.894 41 HA PHE 20 HA PHE 20 -7.143 9.367 -8.343 42 1HB PHE 20 1HB PHE 20 -5.777 8.813 -6.335 43 2HB PHE 20 2HB PHE 20 -6.996 10.045 -6.024 44 HD1 PHE 20 HD1 PHE 20 -6.543 6.350 -5.817 45 HD2 PHE 20 HD2 PHE 20 -8.306 9.845 -4.147 46 HE1 PHE 20 HE1 PHE 20 -7.406 5.013 -3.941 47 HE2 PHE 20 HE2 PHE 20 -9.171 8.515 -2.267 48 HZ PHE 20 HZ PHE 20 -8.721 6.096 -2.162 49 H ASN 21 H ASN 21 -5.206 7.651 -7.823 50 HA ASN 21 HA ASN 21 -6.015 5.284 -9.249 51 1HB ASN 21 1HB ASN 21 -3.511 6.651 -8.616 52 2HB ASN 21 2HB ASN 21 -3.381 4.900 -8.499 53 1HD2 ASN 21 1HD2 ASN 21 -1.917 5.120 -10.298 54 2HD2 ASN 21 2HD2 ASN 21 -2.549 5.219 -11.903 55 H GLU 22 H GLU 22 -6.906 3.618 -8.241 56 HA GLU 22 HA GLU 22 -6.536 3.199 -5.415 57 1HB GLU 22 1HB GLU 22 -8.395 2.328 -7.465 58 2HB GLU 22 2HB GLU 22 -7.895 0.988 -6.442 59 1HG GLU 22 1HG GLU 22 -8.500 2.388 -4.461 60 2HG GLU 22 2HG GLU 22 -9.187 3.562 -5.582 61 H ASN 23 H ASN 23 -4.877 2.153 -4.595 62 HA ASN 23 HA ASN 23 -3.076 0.781 -4.367 63 1HB ASN 23 1HB ASN 23 -4.762 -1.139 -5.947 64 2HB ASN 23 2HB ASN 23 -3.458 -1.543 -4.839 65 1HD2 ASN 23 1HD2 ASN 23 -3.795 -1.365 -2.620 66 2HD2 ASN 23 2HD2 ASN 23 -5.379 -1.258 -1.939 67 H ARG 24 H ARG 24 -2.883 2.496 -6.494 68 HA ARG 24 HA ARG 24 -1.099 1.000 -8.277 69 1HB ARG 24 1HB ARG 24 -2.996 3.155 -9.228 70 2HB ARG 24 2HB ARG 24 -1.893 2.211 -10.221 71 1HG ARG 24 1HG ARG 24 -3.422 0.299 -8.941 72 2HG ARG 24 2HG ARG 24 -4.570 1.590 -9.303 73 1HD ARG 24 1HD ARG 24 -2.757 0.173 -11.252 74 2HD ARG 24 2HD ARG 24 -4.511 0.034 -11.144 75 HE ARG 24 HE ARG 24 -3.008 2.138 -12.404 76 1HH1 ARG 24 1HH1 ARG 24 -6.054 1.285 -10.928 77 2HH1 ARG 24 2HH1 ARG 24 -6.944 2.519 -11.757 78 1HH2 ARG 24 1HH2 ARG 24 -4.177 3.759 -13.496 79 2HH2 ARG 24 2HH2 ARG 24 -5.879 3.922 -13.217 80 H TYR 25 H TYR 25 -2.191 4.183 -7.222 81 HA TYR 25 HA TYR 25 -0.193 5.829 -8.061 82 1HB TYR 25 1HB TYR 25 -0.748 7.272 -6.177 83 2HB TYR 25 2HB TYR 25 -2.215 6.551 -6.831 84 HD1 TYR 25 HD1 TYR 25 -2.781 4.170 -5.650 85 HD2 TYR 25 HD2 TYR 25 -0.603 7.362 -3.876 86 HE1 TYR 25 HE1 TYR 25 -3.337 3.297 -3.427 87 HE2 TYR 25 HE2 TYR 25 -1.168 6.507 -1.641 88 HH TYR 25 HH TYR 25 -2.943 5.087 -0.605 89 H LEU 26 H LEU 26 -0.170 3.866 -5.096 90 HA LEU 26 HA LEU 26 2.727 4.351 -4.902 91 1HB LEU 26 1HB LEU 26 2.575 4.733 -2.682 92 2HB LEU 26 2HB LEU 26 0.932 5.180 -3.097 93 HG LEU 26 HG LEU 26 0.389 2.683 -2.572 94 1HD1 LEU 26 1HD1 LEU 26 2.025 2.176 -0.514 95 2HD1 LEU 26 2HD1 LEU 26 3.157 2.990 -1.593 96 3HD1 LEU 26 3HD1 LEU 26 2.297 1.552 -2.141 97 1HD2 LEU 26 1HD2 LEU 26 0.947 3.886 -0.005 98 2HD2 LEU 26 2HD2 LEU 26 -0.600 3.563 -0.785 99 3HD2 LEU 26 3HD2 LEU 26 0.266 5.059 -1.130 100 H THR 27 H THR 27 0.174 2.000 -4.888 101 HA THR 27 HA THR 27 1.218 -0.198 -3.713 102 HB THR 27 HB THR 27 -0.376 0.072 -6.245 103 HG1 THR 27 HG1 THR 27 -1.172 0.477 -3.995 104 1HG2 THR 27 1HG2 THR 27 0.424 -2.019 -6.715 105 2HG2 THR 27 2HG2 THR 27 -0.965 -2.406 -5.700 106 3HG2 THR 27 3HG2 THR 27 0.661 -2.433 -5.017 107 H GLU 28 H GLU 28 1.448 -0.061 -7.246 108 HA GLU 28 HA GLU 28 3.548 -1.864 -7.466 109 1HB GLU 28 1HB GLU 28 2.645 0.324 -9.335 110 2HB GLU 28 2HB GLU 28 3.846 -0.885 -9.769 111 1HG GLU 28 1HG GLU 28 1.791 -2.425 -8.842 112 2HG GLU 28 2HG GLU 28 0.941 -1.091 -9.620 113 H ARG 29 H ARG 29 3.651 1.639 -7.088 114 HA ARG 29 HA ARG 29 6.379 1.971 -7.737 115 1HB ARG 29 1HB ARG 29 4.320 3.594 -6.320 116 2HB ARG 29 2HB ARG 29 6.006 4.058 -6.138 117 1HG ARG 29 1HG ARG 29 5.723 3.661 -8.859 118 2HG ARG 29 2HG ARG 29 4.208 4.428 -8.377 119 1HD ARG 29 1HD ARG 29 5.881 6.090 -9.013 120 2HD ARG 29 2HD ARG 29 5.452 6.233 -7.309 121 HE ARG 29 HE ARG 29 7.632 4.645 -7.248 122 1HH1 ARG 29 1HH1 ARG 29 6.987 7.727 -8.750 123 2HH1 ARG 29 2HH1 ARG 29 8.628 8.268 -8.634 124 1HH2 ARG 29 1HH2 ARG 29 9.791 5.354 -7.094 125 2HH2 ARG 29 2HH2 ARG 29 10.220 6.921 -7.695 126 H ARG 30 H ARG 30 4.752 1.625 -4.596 127 HA ARG 30 HA ARG 30 7.256 1.583 -3.173 128 1HB ARG 30 1HB ARG 30 4.378 1.459 -2.442 129 2HB ARG 30 2HB ARG 30 5.526 0.765 -1.306 130 1HG ARG 30 1HG ARG 30 6.714 3.136 -1.833 131 2HG ARG 30 2HG ARG 30 5.013 3.571 -2.001 132 1HD ARG 30 1HD ARG 30 4.847 2.171 0.256 133 2HD ARG 30 2HD ARG 30 6.528 2.684 0.391 134 HE ARG 30 HE ARG 30 5.188 4.974 -0.209 135 1HH1 ARG 30 1HH1 ARG 30 4.850 2.538 2.267 136 2HH1 ARG 30 2HH1 ARG 30 4.211 3.640 3.440 137 1HH2 ARG 30 1HH2 ARG 30 4.348 6.426 1.333 138 2HH2 ARG 30 2HH2 ARG 30 3.925 5.847 2.910 139 H ARG 31 H ARG 31 4.995 -0.770 -4.420 140 HA ARG 31 HA ARG 31 5.773 -3.010 -2.946 141 1HB ARG 31 1HB ARG 31 4.479 -2.568 -5.590 142 2HB ARG 31 2HB ARG 31 5.110 -4.175 -5.253 143 1HG ARG 31 1HG ARG 31 3.766 -3.820 -2.997 144 2HG ARG 31 2HG ARG 31 2.835 -2.730 -4.025 145 1HD ARG 31 1HD ARG 31 3.355 -5.664 -4.469 146 2HD ARG 31 2HD ARG 31 1.814 -4.900 -4.086 147 HE ARG 31 HE ARG 31 3.014 -3.931 -6.512 148 1HH1 ARG 31 1HH1 ARG 31 0.969 -6.390 -5.115 149 2HH1 ARG 31 2HH1 ARG 31 0.154 -6.735 -6.603 150 1HH2 ARG 31 1HH2 ARG 31 1.944 -4.384 -8.470 151 2HH2 ARG 31 2HH2 ARG 31 0.708 -5.597 -8.509 152 H GLN 32 H GLN 32 7.145 -1.589 -5.864 153 HA GLN 32 HA GLN 32 9.004 -3.690 -6.347 154 1HB GLN 32 1HB GLN 32 8.123 -1.715 -7.882 155 2HB GLN 32 2HB GLN 32 9.558 -0.908 -7.267 156 1HG GLN 32 1HG GLN 32 10.857 -2.947 -8.020 157 2HG GLN 32 2HG GLN 32 9.396 -3.434 -8.879 158 1HE2 GLN 32 1HE2 GLN 32 11.243 -0.433 -8.420 159 2HE2 GLN 32 2HE2 GLN 32 11.292 -0.007 -10.094 160 H GLN 33 H GLN 33 9.188 -0.588 -4.661 161 HA GLN 33 HA GLN 33 11.984 -0.821 -4.095 162 1HB GLN 33 1HB GLN 33 9.797 1.027 -3.196 163 2HB GLN 33 2HB GLN 33 11.368 1.060 -2.408 164 1HG GLN 33 1HG GLN 33 12.455 1.610 -4.479 165 2HG GLN 33 2HG GLN 33 10.941 1.424 -5.364 166 1HE2 GLN 33 1HE2 GLN 33 10.140 3.300 -5.941 167 2HE2 GLN 33 2HE2 GLN 33 10.170 4.757 -5.013 168 H LEU 34 H LEU 34 9.006 -1.533 -2.339 169 HA LEU 34 HA LEU 34 10.192 -2.019 0.171 170 1HB LEU 34 1HB LEU 34 7.591 -2.518 -1.100 171 2HB LEU 34 2HB LEU 34 8.012 -3.669 0.154 172 HG LEU 34 HG LEU 34 8.259 -0.746 0.728 173 1HD1 LEU 34 1HD1 LEU 34 5.880 -0.923 1.617 174 2HD1 LEU 34 2HD1 LEU 34 5.712 -2.322 0.558 175 3HD1 LEU 34 3HD1 LEU 34 6.079 -0.738 -0.124 176 1HD2 LEU 34 1HD2 LEU 34 9.069 -2.546 2.281 177 2HD2 LEU 34 2HD2 LEU 34 7.387 -3.041 2.470 178 3HD2 LEU 34 3HD2 LEU 34 7.894 -1.429 2.975 179 H SER 35 H SER 35 9.546 -4.113 -2.596 180 HA SER 35 HA SER 35 10.234 -6.552 -1.394 181 1HB SER 35 1HB SER 35 9.102 -6.566 -3.516 182 2HB SER 35 2HB SER 35 10.399 -5.643 -4.275 183 HG SER 35 HG SER 35 10.578 -7.856 -4.760 184 H SER 36 H SER 36 12.210 -4.366 -3.400 185 HA SER 36 HA SER 36 14.618 -5.815 -3.027 186 1HB SER 36 1HB SER 36 13.978 -4.066 -4.852 187 2HB SER 36 2HB SER 36 14.575 -2.887 -3.684 188 HG SER 36 HG SER 36 16.576 -3.839 -3.760 189 H GLU 37 H GLU 37 13.273 -2.935 -1.460 190 HA GLU 37 HA GLU 37 15.535 -2.433 0.176 191 1HB GLU 37 1HB GLU 37 13.636 -0.830 -0.462 192 2HB GLU 37 2HB GLU 37 12.725 -1.587 0.838 193 1HG GLU 37 1HG GLU 37 15.045 -1.003 2.106 194 2HG GLU 37 2HG GLU 37 14.948 0.320 0.946 195 H LEU 38 H LEU 38 12.384 -3.939 0.896 196 HA LEU 38 HA LEU 38 13.289 -4.701 3.537 197 1HB LEU 38 1HB LEU 38 10.799 -4.244 2.347 198 2HB LEU 38 2HB LEU 38 10.819 -5.962 2.700 199 HG LEU 38 HG LEU 38 11.647 -5.130 5.068 200 1HD1 LEU 38 1HD1 LEU 38 9.814 -2.870 4.589 201 2HD1 LEU 38 2HD1 LEU 38 11.442 -2.707 3.931 202 3HD1 LEU 38 3HD1 LEU 38 11.213 -2.995 5.656 203 1HD2 LEU 38 1HD2 LEU 38 9.129 -4.853 5.634 204 2HD2 LEU 38 2HD2 LEU 38 9.715 -6.400 5.022 205 3HD2 LEU 38 3HD2 LEU 38 8.881 -5.281 3.941 206 H GLY 39 H GLY 39 13.441 -6.038 0.418 207 1HA GLY 39 1HA GLY 39 14.290 -8.050 -0.307 208 2HA GLY 39 2HA GLY 39 14.711 -8.404 1.363 209 H LEU 40 H LEU 40 11.471 -7.636 0.312 210 HA LEU 40 HA LEU 40 10.617 -10.314 1.149 211 1HB LEU 40 1HB LEU 40 9.434 -7.624 1.217 212 2HB LEU 40 2HB LEU 40 8.321 -8.898 0.756 213 HG LEU 40 HG LEU 40 9.941 -8.854 3.299 214 1HD1 LEU 40 1HD1 LEU 40 8.366 -7.212 3.645 215 2HD1 LEU 40 2HD1 LEU 40 7.501 -8.647 4.200 216 3HD1 LEU 40 3HD1 LEU 40 7.174 -7.984 2.595 217 1HD2 LEU 40 1HD2 LEU 40 7.882 -10.620 3.627 218 2HD2 LEU 40 2HD2 LEU 40 9.540 -11.061 3.221 219 3HD2 LEU 40 3HD2 LEU 40 8.335 -10.895 1.944 220 H ASN 41 H ASN 41 9.015 -11.436 -0.047 221 HA ASN 41 HA ASN 41 9.337 -11.136 -2.921 222 1HB ASN 41 1HB ASN 41 9.186 -13.347 -1.335 223 2HB ASN 41 2HB ASN 41 7.513 -13.216 -1.871 224 1HD2 ASN 41 1HD2 ASN 41 7.367 -12.698 -4.308 225 2HD2 ASN 41 2HD2 ASN 41 8.346 -13.692 -5.327 226 H GLU 42 H GLU 42 7.615 -10.718 -4.344 227 HA GLU 42 HA GLU 42 5.711 -8.873 -3.590 228 1HB GLU 42 1HB GLU 42 5.346 -10.889 -5.817 229 2HB GLU 42 2HB GLU 42 4.619 -9.292 -5.704 230 1HG GLU 42 1HG GLU 42 6.292 -8.628 -7.009 231 2HG GLU 42 2HG GLU 42 7.287 -8.724 -5.556 232 H ALA 43 H ALA 43 5.593 -12.357 -3.472 233 HA ALA 43 HA ALA 43 2.837 -12.728 -3.070 234 1HB ALA 43 1HB ALA 43 4.648 -14.547 -1.617 235 2HB ALA 43 2HB ALA 43 4.933 -14.401 -3.351 236 3HB ALA 43 3HB ALA 43 3.351 -14.905 -2.757 237 H GLN 44 H GLN 44 5.471 -12.024 -0.834 238 HA GLN 44 HA GLN 44 3.814 -12.181 1.520 239 1HB GLN 44 1HB GLN 44 6.610 -11.174 0.985 240 2HB GLN 44 2HB GLN 44 5.851 -11.029 2.564 241 1HG GLN 44 1HG GLN 44 5.485 -13.687 1.905 242 2HG GLN 44 2HG GLN 44 7.103 -13.319 1.309 243 1HE2 GLN 44 1HE2 GLN 44 5.318 -12.105 4.115 244 2HE2 GLN 44 2HE2 GLN 44 6.478 -12.610 5.291 245 H ILE 45 H ILE 45 4.843 -9.819 -0.767 246 HA ILE 45 HA ILE 45 4.246 -7.480 0.670 247 HB ILE 45 HB ILE 45 4.464 -8.052 -2.274 248 1HG1 ILE 45 1HG1 ILE 45 6.370 -7.864 -0.279 249 2HG1 ILE 45 2HG1 ILE 45 6.668 -7.678 -2.005 250 1HG2 ILE 45 1HG2 ILE 45 4.502 -5.645 -2.664 251 2HG2 ILE 45 2HG2 ILE 45 4.163 -5.362 -0.959 252 3HG2 ILE 45 3HG2 ILE 45 2.959 -6.150 -1.976 253 1HD1 ILE 45 1HD1 ILE 45 6.520 -5.304 -1.831 254 2HD1 ILE 45 2HD1 ILE 45 7.643 -5.893 -0.607 255 3HD1 ILE 45 3HD1 ILE 45 6.009 -5.406 -0.145 256 H LYS 46 H LYS 46 2.300 -9.542 -1.462 257 HA LYS 46 HA LYS 46 0.063 -7.898 -1.740 258 1HB LYS 46 1HB LYS 46 0.740 -10.521 -2.426 259 2HB LYS 46 2HB LYS 46 -0.670 -10.691 -1.391 260 1HG LYS 46 1HG LYS 46 -1.870 -9.078 -2.835 261 2HG LYS 46 2HG LYS 46 -0.468 -9.054 -3.908 262 1HD LYS 46 1HD LYS 46 -0.916 -11.727 -3.671 263 2HD LYS 46 2HD LYS 46 -2.559 -11.089 -3.574 264 1HE LYS 46 1HE LYS 46 -2.558 -10.398 -5.725 265 2HE LYS 46 2HE LYS 46 -0.859 -9.930 -5.684 266 1HZ LYS 46 1HZ LYS 46 -0.636 -12.569 -5.524 267 2HZ LYS 46 2HZ LYS 46 -0.655 -11.733 -6.994 268 3HZ LYS 46 3HZ LYS 46 -2.067 -12.468 -6.421 269 H ILE 47 H ILE 47 0.801 -10.342 0.709 270 HA ILE 47 HA ILE 47 -1.516 -9.872 2.309 271 HB ILE 47 HB ILE 47 0.993 -11.415 2.532 272 1HG1 ILE 47 1HG1 ILE 47 -1.749 -12.088 3.594 273 2HG1 ILE 47 2HG1 ILE 47 -1.339 -12.248 1.889 274 1HG2 ILE 47 1HG2 ILE 47 0.625 -11.826 4.987 275 2HG2 ILE 47 2HG2 ILE 47 -0.417 -10.403 4.990 276 3HG2 ILE 47 3HG2 ILE 47 1.291 -10.245 4.573 277 1HD1 ILE 47 1HD1 ILE 47 0.608 -13.530 3.609 278 2HD1 ILE 47 2HD1 ILE 47 -0.290 -14.173 2.233 279 3HD1 ILE 47 3HD1 ILE 47 -1.022 -14.163 3.838 280 H TRP 48 H TRP 48 1.780 -8.763 2.293 281 HA TRP 48 HA TRP 48 1.955 -7.370 4.680 282 1HB TRP 48 1HB TRP 48 3.830 -7.874 3.176 283 2HB TRP 48 2HB TRP 48 3.167 -6.789 1.971 284 HD1 TRP 48 HD1 TRP 48 5.588 -6.912 4.744 285 HE1 TRP 48 HE1 TRP 48 6.510 -4.562 5.195 286 HE3 TRP 48 HE3 TRP 48 2.223 -4.143 2.091 287 HZ2 TRP 48 HZ2 TRP 48 5.915 -1.903 4.550 288 HZ3 TRP 48 HZ3 TRP 48 2.470 -1.703 2.063 289 HH2 TRP 48 HH2 TRP 48 4.285 -0.611 3.255 290 H PHE 49 H PHE 49 0.986 -6.212 1.481 291 HA PHE 49 HA PHE 49 0.334 -3.602 2.401 292 1HB PHE 49 1HB PHE 49 0.014 -5.071 -0.166 293 2HB PHE 49 2HB PHE 49 -0.971 -3.626 0.093 294 HD1 PHE 49 HD1 PHE 49 0.036 -1.457 0.320 295 HD2 PHE 49 HD2 PHE 49 2.408 -4.926 -0.279 296 HE1 PHE 49 HE1 PHE 49 2.007 -0.031 -0.119 297 HE2 PHE 49 HE2 PHE 49 4.379 -3.520 -0.725 298 HZ PHE 49 HZ PHE 49 4.187 -1.080 -0.619 299 H GLN 50 H GLN 50 -1.565 -6.495 1.762 300 HA GLN 50 HA GLN 50 -4.067 -5.306 2.223 301 1HB GLN 50 1HB GLN 50 -3.097 -8.156 2.385 302 2HB GLN 50 2HB GLN 50 -4.763 -7.728 2.745 303 1HG GLN 50 1HG GLN 50 -4.860 -6.675 0.458 304 2HG GLN 50 2HG GLN 50 -3.303 -7.438 0.140 305 1HE2 GLN 50 1HE2 GLN 50 -6.297 -8.487 1.735 306 2HE2 GLN 50 2HE2 GLN 50 -6.491 -9.926 0.798 307 H ASN 51 H ASN 51 -1.609 -6.601 4.351 308 HA ASN 51 HA ASN 51 -3.269 -6.729 6.677 309 1HB ASN 51 1HB ASN 51 -0.378 -7.052 6.075 310 2HB ASN 51 2HB ASN 51 -0.800 -6.621 7.730 311 1HD2 ASN 51 1HD2 ASN 51 0.415 -9.017 7.072 312 2HD2 ASN 51 2HD2 ASN 51 -0.688 -10.310 7.380 313 H LYS 52 H LYS 52 -1.267 -4.285 5.182 314 HA LYS 52 HA LYS 52 -1.160 -2.529 7.418 315 1HB LYS 52 1HB LYS 52 -0.874 -1.866 4.482 316 2HB LYS 52 2HB LYS 52 -0.354 -0.864 5.829 317 1HG LYS 52 1HG LYS 52 0.813 -3.467 6.066 318 2HG LYS 52 2HG LYS 52 1.120 -2.817 4.454 319 1HD LYS 52 1HD LYS 52 2.840 -1.757 5.432 320 2HD LYS 52 2HD LYS 52 1.609 -0.646 6.035 321 1HE LYS 52 1HE LYS 52 2.625 -1.173 8.005 322 2HE LYS 52 2HE LYS 52 1.427 -2.466 7.947 323 1HZ LYS 52 1HZ LYS 52 3.966 -3.025 6.648 324 2HZ LYS 52 2HZ LYS 52 2.997 -4.024 7.610 325 3HZ LYS 52 3HZ LYS 52 4.019 -2.887 8.334 326 H ARG 53 H ARG 53 -3.436 -3.047 4.822 327 HA ARG 53 HA ARG 53 -4.879 -0.625 5.101 328 1HB ARG 53 1HB ARG 53 -4.916 -2.351 3.174 329 2HB ARG 53 2HB ARG 53 -6.103 -3.202 4.152 330 1HG ARG 53 1HG ARG 53 -7.117 -1.744 2.447 331 2HG ARG 53 2HG ARG 53 -7.587 -1.311 4.092 332 1HD ARG 53 1HD ARG 53 -6.690 0.724 3.909 333 2HD ARG 53 2HD ARG 53 -5.193 0.086 3.230 334 HE ARG 53 HE ARG 53 -7.423 1.188 1.788 335 1HH1 ARG 53 1HH1 ARG 53 -4.650 -0.923 1.599 336 2HH1 ARG 53 2HH1 ARG 53 -4.495 -0.771 -0.118 337 1HH2 ARG 53 1HH2 ARG 53 -7.222 1.387 -0.471 338 2HH2 ARG 53 2HH2 ARG 53 -5.955 0.541 -1.295 339 H ALA 54 H ALA 54 -4.991 -3.698 6.753 340 HA ALA 54 HA ALA 54 -7.358 -2.823 8.262 341 1HB ALA 54 1HB ALA 54 -7.967 -4.986 8.504 342 2HB ALA 54 2HB ALA 54 -6.304 -5.551 8.661 343 3HB ALA 54 3HB ALA 54 -6.968 -5.193 7.067 344 H LYS 55 H LYS 55 -4.624 -1.811 8.685 345 HA LYS 55 HA LYS 55 -3.744 -3.000 11.171 346 1HB LYS 55 1HB LYS 55 -2.327 -1.848 9.269 347 2HB LYS 55 2HB LYS 55 -2.700 -0.385 10.169 348 1HG LYS 55 1HG LYS 55 -1.817 -1.680 12.213 349 2HG LYS 55 2HG LYS 55 -1.096 -2.761 11.018 350 1HD LYS 55 1HD LYS 55 0.445 -1.236 10.378 351 2HD LYS 55 2HD LYS 55 -0.671 0.119 10.556 352 1HE LYS 55 1HE LYS 55 0.117 0.601 12.582 353 2HE LYS 55 2HE LYS 55 -0.055 -1.071 13.115 354 1HZ LYS 55 1HZ LYS 55 2.092 -1.283 11.575 355 2HZ LYS 55 2HZ LYS 55 2.176 -0.928 13.227 356 3HZ LYS 55 3HZ LYS 55 2.284 0.318 12.088 357 H ILE 56 H ILE 56 -4.530 0.372 10.308 358 HA ILE 56 HA ILE 56 -5.497 2.058 11.492 359 HB ILE 56 HB ILE 56 -6.990 -0.132 12.936 360 1HG1 ILE 56 1HG1 ILE 56 -8.244 1.266 10.650 361 2HG1 ILE 56 2HG1 ILE 56 -6.955 0.139 10.238 362 1HG2 ILE 56 1HG2 ILE 56 -8.364 1.449 13.763 363 2HG2 ILE 56 2HG2 ILE 56 -8.272 2.442 12.309 364 3HG2 ILE 56 3HG2 ILE 56 -6.975 2.504 13.502 365 1HD1 ILE 56 1HD1 ILE 56 -9.085 -0.767 12.096 366 2HD1 ILE 56 2HD1 ILE 56 -8.144 -1.682 10.918 367 3HD1 ILE 56 3HD1 ILE 56 -9.454 -0.633 10.377 368 H LYS 57 H LYS 57 -3.920 2.976 12.699 369 HA LYS 57 HA LYS 57 -2.685 1.782 14.937 370 1HB LYS 57 1HB LYS 57 -2.854 4.631 13.973 371 2HB LYS 57 2HB LYS 57 -1.965 4.187 15.424 372 1HG LYS 57 1HG LYS 57 -1.275 2.538 13.129 373 2HG LYS 57 2HG LYS 57 -0.965 4.255 12.867 374 1HD LYS 57 1HD LYS 57 0.012 3.924 15.379 375 2HD LYS 57 2HD LYS 57 0.358 2.346 14.668 376 1HE LYS 57 1HE LYS 57 1.693 3.275 12.980 377 2HE LYS 57 2HE LYS 57 1.058 4.897 13.252 378 1HZ LYS 57 1HZ LYS 57 2.438 3.631 15.486 379 2HZ LYS 57 2HZ LYS 57 2.443 5.247 14.987 380 3HZ LYS 57 3HZ LYS 57 3.397 4.110 14.177 381 H LYS 58 H LYS 58 -3.362 1.550 16.961 382 HA LYS 58 HA LYS 58 -5.574 3.256 17.902 383 1HB LYS 58 1HB LYS 58 -5.768 0.579 17.482 384 2HB LYS 58 2HB LYS 58 -5.260 0.606 19.164 385 1HG LYS 58 1HG LYS 58 -7.327 1.066 19.796 386 2HG LYS 58 2HG LYS 58 -7.310 2.543 18.832 387 1HD LYS 58 1HD LYS 58 -7.912 -0.174 17.679 388 2HD LYS 58 2HD LYS 58 -9.159 0.908 18.303 389 1HE LYS 58 1HE LYS 58 -7.793 2.582 16.663 390 2HE LYS 58 2HE LYS 58 -7.597 1.048 15.814 391 1HZ LYS 58 1HZ LYS 58 -10.277 1.680 16.760 392 2HZ LYS 58 2HZ LYS 58 -9.783 0.936 15.324 393 3HZ LYS 58 3HZ LYS 58 -9.694 2.618 15.478 394 H SER 59 H SER 59 -5.368 4.200 19.865 395 HA SER 59 HA SER 59 -2.792 4.364 21.038 396 1HB SER 59 1HB SER 59 -5.487 5.326 22.023 397 2HB SER 59 2HB SER 59 -3.951 5.726 22.790 398 HG SER 59 HG SER 59 -4.963 7.183 21.065 Start of MODEL 20 1 1H ALA 16 1H ALA 16 -12.088 8.584 -17.230 2 2H ALA 16 2H ALA 16 -11.904 10.273 -17.471 3 3H ALA 16 3H ALA 16 -13.467 9.603 -17.239 4 HA ALA 16 HA ALA 16 -11.310 10.039 -15.325 5 1HB ALA 16 1HB ALA 16 -14.277 10.434 -15.034 6 2HB ALA 16 2HB ALA 16 -13.215 11.655 -15.736 7 3HB ALA 16 3HB ALA 16 -12.978 11.136 -14.067 8 H LYS 17 H LYS 17 -12.001 9.258 -13.064 9 HA LYS 17 HA LYS 17 -13.088 6.528 -13.238 10 1HB LYS 17 1HB LYS 17 -10.471 6.927 -12.923 11 2HB LYS 17 2HB LYS 17 -10.956 7.105 -11.242 12 1HG LYS 17 1HG LYS 17 -11.061 4.909 -11.006 13 2HG LYS 17 2HG LYS 17 -12.225 4.792 -12.328 14 1HD LYS 17 1HD LYS 17 -10.133 5.011 -13.849 15 2HD LYS 17 2HD LYS 17 -9.242 4.540 -12.401 16 1HE LYS 17 1HE LYS 17 -9.634 2.443 -13.088 17 2HE LYS 17 2HE LYS 17 -11.251 2.700 -12.434 18 1HZ LYS 17 1HZ LYS 17 -11.729 1.996 -14.539 19 2HZ LYS 17 2HZ LYS 17 -10.355 2.702 -15.227 20 3HZ LYS 17 3HZ LYS 17 -11.678 3.666 -14.802 21 H ARG 18 H ARG 18 -14.370 5.857 -11.557 22 HA ARG 18 HA ARG 18 -15.746 7.802 -10.081 23 1HB ARG 18 1HB ARG 18 -16.715 5.624 -10.659 24 2HB ARG 18 2HB ARG 18 -15.569 4.823 -9.592 25 1HG ARG 18 1HG ARG 18 -16.556 6.123 -7.696 26 2HG ARG 18 2HG ARG 18 -17.801 6.683 -8.815 27 1HD ARG 18 1HD ARG 18 -18.010 4.081 -9.285 28 2HD ARG 18 2HD ARG 18 -17.353 3.985 -7.653 29 HE ARG 18 HE ARG 18 -19.987 4.846 -8.415 30 1HH1 ARG 18 1HH1 ARG 18 -17.516 5.032 -5.958 31 2HH1 ARG 18 2HH1 ARG 18 -18.628 5.420 -4.691 32 1HH2 ARG 18 1HH2 ARG 18 -21.453 5.356 -6.748 33 2HH2 ARG 18 2HH2 ARG 18 -20.864 5.604 -5.139 34 H GLU 19 H GLU 19 -12.922 5.890 -9.336 35 HA GLU 19 HA GLU 19 -12.531 7.465 -6.914 36 1HB GLU 19 1HB GLU 19 -13.571 4.919 -6.718 37 2HB GLU 19 2HB GLU 19 -11.849 4.649 -6.490 38 1HG GLU 19 1HG GLU 19 -12.509 5.005 -4.338 39 2HG GLU 19 2HG GLU 19 -12.067 6.645 -4.813 40 H PHE 20 H PHE 20 -10.310 7.079 -5.986 41 HA PHE 20 HA PHE 20 -8.356 7.521 -7.933 42 1HB PHE 20 1HB PHE 20 -6.724 7.175 -6.061 43 2HB PHE 20 2HB PHE 20 -8.019 8.308 -5.680 44 HD1 PHE 20 HD1 PHE 20 -7.268 4.661 -5.399 45 HD2 PHE 20 HD2 PHE 20 -9.046 8.105 -3.642 46 HE1 PHE 20 HE1 PHE 20 -7.813 3.350 -3.391 47 HE2 PHE 20 HE2 PHE 20 -9.593 6.800 -1.630 48 HZ PHE 20 HZ PHE 20 -8.978 4.419 -1.502 49 H ASN 21 H ASN 21 -6.176 6.067 -7.561 50 HA ASN 21 HA ASN 21 -6.821 3.563 -8.835 51 1HB ASN 21 1HB ASN 21 -4.474 5.265 -8.533 52 2HB ASN 21 2HB ASN 21 -4.094 3.559 -8.340 53 1HD2 ASN 21 1HD2 ASN 21 -5.767 2.342 -10.062 54 2HD2 ASN 21 2HD2 ASN 21 -5.432 2.835 -11.683 55 H GLU 22 H GLU 22 -7.031 1.652 -7.866 56 HA GLU 22 HA GLU 22 -6.412 1.462 -5.018 57 1HB GLU 22 1HB GLU 22 -8.394 0.309 -6.782 58 2HB GLU 22 2HB GLU 22 -7.573 -0.946 -5.865 59 1HG GLU 22 1HG GLU 22 -8.063 0.874 -3.922 60 2HG GLU 22 2HG GLU 22 -9.453 1.120 -4.980 61 H ASN 23 H ASN 23 -4.382 0.882 -4.594 62 HA ASN 23 HA ASN 23 -2.456 -0.323 -4.528 63 1HB ASN 23 1HB ASN 23 -4.428 -2.295 -5.546 64 2HB ASN 23 2HB ASN 23 -2.723 -2.708 -5.645 65 1HD2 ASN 23 1HD2 ASN 23 -4.474 -0.872 -3.189 66 2HD2 ASN 23 2HD2 ASN 23 -4.097 -1.929 -1.876 67 H ARG 24 H ARG 24 -2.837 1.457 -6.586 68 HA ARG 24 HA ARG 24 -1.029 0.363 -8.614 69 1HB ARG 24 1HB ARG 24 -3.457 2.040 -9.286 70 2HB ARG 24 2HB ARG 24 -2.295 1.372 -10.427 71 1HG ARG 24 1HG ARG 24 -3.913 -0.384 -8.617 72 2HG ARG 24 2HG ARG 24 -4.535 0.183 -10.168 73 1HD ARG 24 1HD ARG 24 -1.835 -0.925 -10.319 74 2HD ARG 24 2HD ARG 24 -3.043 -2.086 -9.771 75 HE ARG 24 HE ARG 24 -3.826 -0.603 -12.108 76 1HH1 ARG 24 1HH1 ARG 24 -2.134 -3.420 -10.934 77 2HH1 ARG 24 2HH1 ARG 24 -2.319 -4.302 -12.413 78 1HH2 ARG 24 1HH2 ARG 24 -4.070 -1.761 -14.053 79 2HH2 ARG 24 2HH2 ARG 24 -3.417 -3.360 -14.183 80 H TYR 25 H TYR 25 -2.608 3.229 -7.313 81 HA TYR 25 HA TYR 25 -1.056 5.228 -8.401 82 1HB TYR 25 1HB TYR 25 -1.800 6.615 -6.544 83 2HB TYR 25 2HB TYR 25 -3.123 5.587 -7.086 84 HD1 TYR 25 HD1 TYR 25 -3.287 3.265 -5.781 85 HD2 TYR 25 HD2 TYR 25 -1.421 6.775 -4.263 86 HE1 TYR 25 HE1 TYR 25 -3.570 2.416 -3.498 87 HE2 TYR 25 HE2 TYR 25 -1.704 5.937 -1.970 88 HH TYR 25 HH TYR 25 -2.623 2.714 -1.289 89 H LEU 26 H LEU 26 -0.521 3.482 -5.352 90 HA LEU 26 HA LEU 26 2.257 4.461 -5.382 91 1HB LEU 26 1HB LEU 26 1.587 5.558 -3.527 92 2HB LEU 26 2HB LEU 26 0.194 4.524 -3.298 93 HG LEU 26 HG LEU 26 2.945 3.544 -2.603 94 1HD1 LEU 26 1HD1 LEU 26 3.072 5.292 -1.183 95 2HD1 LEU 26 2HD1 LEU 26 1.984 4.300 -0.211 96 3HD1 LEU 26 3HD1 LEU 26 1.334 5.591 -1.224 97 1HD2 LEU 26 1HD2 LEU 26 0.287 2.514 -2.462 98 2HD2 LEU 26 2HD2 LEU 26 0.912 2.702 -0.823 99 3HD2 LEU 26 3HD2 LEU 26 1.802 1.736 -2.001 100 H THR 27 H THR 27 0.079 1.859 -4.415 101 HA THR 27 HA THR 27 1.701 0.012 -3.309 102 HB THR 27 HB THR 27 -0.631 -0.183 -5.140 103 HG1 THR 27 HG1 THR 27 -0.950 0.157 -2.939 104 1HG2 THR 27 1HG2 THR 27 -0.711 -2.642 -4.816 105 2HG2 THR 27 2HG2 THR 27 0.968 -2.576 -4.278 106 3HG2 THR 27 3HG2 THR 27 0.548 -2.097 -5.923 107 H GLU 28 H GLU 28 1.133 0.085 -6.839 108 HA GLU 28 HA GLU 28 3.025 -1.796 -7.550 109 1HB GLU 28 1HB GLU 28 1.742 0.489 -8.967 110 2HB GLU 28 2HB GLU 28 3.102 -0.309 -9.743 111 1HG GLU 28 1HG GLU 28 1.089 -2.148 -8.696 112 2HG GLU 28 2HG GLU 28 0.495 -1.065 -9.954 113 H ARG 29 H ARG 29 3.482 1.737 -7.376 114 HA ARG 29 HA ARG 29 6.190 1.688 -8.168 115 1HB ARG 29 1HB ARG 29 4.369 3.677 -6.918 116 2HB ARG 29 2HB ARG 29 6.098 3.973 -6.783 117 1HG ARG 29 1HG ARG 29 4.590 3.550 -9.356 118 2HG ARG 29 2HG ARG 29 5.121 5.105 -8.714 119 1HD ARG 29 1HD ARG 29 6.819 2.820 -9.685 120 2HD ARG 29 2HD ARG 29 6.721 4.455 -10.339 121 HE ARG 29 HE ARG 29 7.584 4.862 -7.813 122 1HH1 ARG 29 1HH1 ARG 29 8.685 2.784 -10.390 123 2HH1 ARG 29 2HH1 ARG 29 10.341 2.824 -9.885 124 1HH2 ARG 29 1HH2 ARG 29 9.761 4.918 -7.147 125 2HH2 ARG 29 2HH2 ARG 29 10.952 4.036 -8.043 126 H ARG 30 H ARG 30 4.697 1.862 -4.952 127 HA ARG 30 HA ARG 30 7.192 1.836 -3.568 128 1HB ARG 30 1HB ARG 30 4.749 2.608 -2.840 129 2HB ARG 30 2HB ARG 30 4.693 0.970 -2.205 130 1HG ARG 30 1HG ARG 30 6.606 1.382 -0.816 131 2HG ARG 30 2HG ARG 30 6.844 2.971 -1.546 132 1HD ARG 30 1HD ARG 30 5.262 3.923 -0.270 133 2HD ARG 30 2HD ARG 30 4.164 2.555 -0.447 134 HE ARG 30 HE ARG 30 6.395 2.034 1.289 135 1HH1 ARG 30 1HH1 ARG 30 3.158 3.324 1.096 136 2HH1 ARG 30 2HH1 ARG 30 2.823 3.067 2.776 137 1HH2 ARG 30 1HH2 ARG 30 5.955 1.696 3.498 138 2HH2 ARG 30 2HH2 ARG 30 4.410 2.145 4.139 139 H ARG 31 H ARG 31 5.110 -0.615 -4.839 140 HA ARG 31 HA ARG 31 5.770 -2.758 -3.164 141 1HB ARG 31 1HB ARG 31 4.613 -2.432 -5.858 142 2HB ARG 31 2HB ARG 31 5.391 -3.981 -5.569 143 1HG ARG 31 1HG ARG 31 3.951 -3.887 -3.355 144 2HG ARG 31 2HG ARG 31 2.951 -2.824 -4.344 145 1HD ARG 31 1HD ARG 31 3.801 -5.626 -5.064 146 2HD ARG 31 2HD ARG 31 2.204 -5.146 -4.492 147 HE ARG 31 HE ARG 31 3.061 -3.745 -6.853 148 1HH1 ARG 31 1HH1 ARG 31 1.489 -6.616 -5.639 149 2HH1 ARG 31 2HH1 ARG 31 0.615 -6.908 -7.105 150 1HH2 ARG 31 1HH2 ARG 31 1.911 -4.128 -8.781 151 2HH2 ARG 31 2HH2 ARG 31 0.854 -5.496 -8.888 152 H GLN 32 H GLN 32 7.327 -1.543 -6.098 153 HA GLN 32 HA GLN 32 9.280 -3.588 -6.263 154 1HB GLN 32 1HB GLN 32 8.653 -2.127 -8.160 155 2HB GLN 32 2HB GLN 32 9.404 -0.765 -7.338 156 1HG GLN 32 1HG GLN 32 11.399 -1.305 -8.123 157 2HG GLN 32 2HG GLN 32 11.250 -2.955 -7.523 158 1HE2 GLN 32 1HE2 GLN 32 9.670 -4.306 -8.897 159 2HE2 GLN 32 2HE2 GLN 32 9.895 -4.196 -10.607 160 H GLN 33 H GLN 33 9.201 -0.440 -4.683 161 HA GLN 33 HA GLN 33 11.959 -0.498 -3.919 162 1HB GLN 33 1HB GLN 33 9.624 1.213 -3.068 163 2HB GLN 33 2HB GLN 33 11.238 1.408 -2.396 164 1HG GLN 33 1HG GLN 33 12.060 2.353 -4.276 165 2HG GLN 33 2HG GLN 33 11.025 1.401 -5.340 166 1HE2 GLN 33 1HE2 GLN 33 10.689 3.869 -2.807 167 2HE2 GLN 33 2HE2 GLN 33 9.513 4.816 -3.648 168 H LEU 34 H LEU 34 8.890 -1.168 -2.262 169 HA LEU 34 HA LEU 34 10.018 -1.665 0.275 170 1HB LEU 34 1HB LEU 34 7.420 -2.092 -1.038 171 2HB LEU 34 2HB LEU 34 7.777 -3.218 0.259 172 HG LEU 34 HG LEU 34 8.078 -0.269 0.702 173 1HD1 LEU 34 1HD1 LEU 34 5.874 -0.336 -0.106 174 2HD1 LEU 34 2HD1 LEU 34 5.728 -0.388 1.651 175 3HD1 LEU 34 3HD1 LEU 34 5.535 -1.865 0.705 176 1HD2 LEU 34 1HD2 LEU 34 7.266 -2.473 2.584 177 2HD2 LEU 34 2HD2 LEU 34 7.778 -0.835 2.989 178 3HD2 LEU 34 3HD2 LEU 34 8.940 -1.981 2.323 179 H SER 35 H SER 35 9.348 -3.752 -2.486 180 HA SER 35 HA SER 35 9.911 -6.212 -1.261 181 1HB SER 35 1HB SER 35 8.867 -5.748 -3.574 182 2HB SER 35 2HB SER 35 10.530 -5.628 -4.152 183 HG SER 35 HG SER 35 9.397 -7.774 -4.200 184 H SER 36 H SER 36 12.008 -4.030 -3.134 185 HA SER 36 HA SER 36 14.351 -5.596 -2.814 186 1HB SER 36 1HB SER 36 15.532 -3.509 -3.560 187 2HB SER 36 2HB SER 36 14.231 -4.022 -4.634 188 HG SER 36 HG SER 36 14.114 -1.970 -2.676 189 H GLU 37 H GLU 37 12.970 -2.900 -1.009 190 HA GLU 37 HA GLU 37 15.211 -2.503 0.691 191 1HB GLU 37 1HB GLU 37 12.410 -1.550 0.573 192 2HB GLU 37 2HB GLU 37 13.182 -1.493 2.150 193 1HG GLU 37 1HG GLU 37 14.745 -0.415 -0.105 194 2HG GLU 37 2HG GLU 37 13.308 0.493 0.361 195 H LEU 38 H LEU 38 12.165 -4.292 1.083 196 HA LEU 38 HA LEU 38 12.957 -5.226 3.707 197 1HB LEU 38 1HB LEU 38 10.566 -5.854 1.980 198 2HB LEU 38 2HB LEU 38 10.811 -6.502 3.591 199 HG LEU 38 HG LEU 38 10.620 -3.551 2.999 200 1HD1 LEU 38 1HD1 LEU 38 8.335 -3.879 4.133 201 2HD1 LEU 38 2HD1 LEU 38 8.513 -5.572 3.668 202 3HD1 LEU 38 3HD1 LEU 38 8.498 -4.316 2.431 203 1HD2 LEU 38 1HD2 LEU 38 9.987 -4.683 5.647 204 2HD2 LEU 38 2HD2 LEU 38 10.826 -3.192 5.217 205 3HD2 LEU 38 3HD2 LEU 38 11.684 -4.732 5.167 206 H GLY 39 H GLY 39 13.234 -6.296 0.449 207 1HA GLY 39 1HA GLY 39 14.318 -8.122 -0.427 208 2HA GLY 39 2HA GLY 39 14.831 -8.524 1.203 209 H LEU 40 H LEU 40 11.450 -8.161 0.477 210 HA LEU 40 HA LEU 40 11.134 -11.062 0.839 211 1HB LEU 40 1HB LEU 40 8.636 -10.170 1.203 212 2HB LEU 40 2HB LEU 40 9.808 -10.302 2.501 213 HG LEU 40 HG LEU 40 10.343 -7.899 2.220 214 1HD1 LEU 40 1HD1 LEU 40 7.947 -7.779 0.411 215 2HD1 LEU 40 2HD1 LEU 40 9.601 -7.853 -0.193 216 3HD1 LEU 40 3HD1 LEU 40 9.085 -6.490 0.801 217 1HD2 LEU 40 1HD2 LEU 40 7.734 -8.980 3.047 218 2HD2 LEU 40 2HD2 LEU 40 7.789 -7.234 2.799 219 3HD2 LEU 40 3HD2 LEU 40 8.894 -7.997 3.941 220 H ASN 41 H ASN 41 9.269 -12.045 -0.269 221 HA ASN 41 HA ASN 41 9.319 -11.338 -3.067 222 1HB ASN 41 1HB ASN 41 9.449 -13.683 -2.498 223 2HB ASN 41 2HB ASN 41 7.969 -13.582 -1.550 224 1HD2 ASN 41 1HD2 ASN 41 8.831 -12.427 -4.791 225 2HD2 ASN 41 2HD2 ASN 41 7.549 -13.248 -5.608 226 H GLU 42 H GLU 42 7.499 -10.821 -4.331 227 HA GLU 42 HA GLU 42 5.750 -8.926 -3.340 228 1HB GLU 42 1HB GLU 42 5.293 -10.797 -5.675 229 2HB GLU 42 2HB GLU 42 4.448 -9.278 -5.402 230 1HG GLU 42 1HG GLU 42 6.902 -8.315 -5.392 231 2HG GLU 42 2HG GLU 42 7.223 -9.768 -6.337 232 H ALA 43 H ALA 43 5.503 -12.400 -3.340 233 HA ALA 43 HA ALA 43 2.752 -12.714 -2.890 234 1HB ALA 43 1HB ALA 43 4.846 -14.455 -1.611 235 2HB ALA 43 2HB ALA 43 4.505 -14.519 -3.340 236 3HB ALA 43 3HB ALA 43 3.238 -14.907 -2.177 237 H GLN 44 H GLN 44 5.409 -11.924 -0.769 238 HA GLN 44 HA GLN 44 3.864 -11.986 1.663 239 1HB GLN 44 1HB GLN 44 6.629 -11.091 0.903 240 2HB GLN 44 2HB GLN 44 5.960 -10.657 2.469 241 1HG GLN 44 1HG GLN 44 5.684 -13.488 1.849 242 2HG GLN 44 2HG GLN 44 7.358 -12.936 1.893 243 1HE2 GLN 44 1HE2 GLN 44 4.662 -11.679 3.773 244 2HE2 GLN 44 2HE2 GLN 44 5.281 -12.144 5.316 245 H ILE 45 H ILE 45 4.756 -9.759 -0.822 246 HA ILE 45 HA ILE 45 4.198 -7.325 0.480 247 HB ILE 45 HB ILE 45 4.252 -8.101 -2.432 248 1HG1 ILE 45 1HG1 ILE 45 6.373 -8.095 -1.087 249 2HG1 ILE 45 2HG1 ILE 45 6.380 -6.998 -2.465 250 1HG2 ILE 45 1HG2 ILE 45 2.703 -6.192 -2.092 251 2HG2 ILE 45 2HG2 ILE 45 4.126 -5.791 -3.050 252 3HG2 ILE 45 3HG2 ILE 45 4.036 -5.300 -1.363 253 1HD1 ILE 45 1HD1 ILE 45 6.501 -6.426 0.413 254 2HD1 ILE 45 2HD1 ILE 45 5.517 -5.324 -0.549 255 3HD1 ILE 45 3HD1 ILE 45 7.215 -5.572 -0.952 256 H LYS 46 H LYS 46 2.196 -9.506 -1.493 257 HA LYS 46 HA LYS 46 -0.109 -7.918 -1.618 258 1HB LYS 46 1HB LYS 46 0.489 -10.265 -2.693 259 2HB LYS 46 2HB LYS 46 -0.354 -10.881 -1.279 260 1HG LYS 46 1HG LYS 46 -2.160 -10.729 -2.593 261 2HG LYS 46 2HG LYS 46 -2.119 -9.025 -2.133 262 1HD LYS 46 1HD LYS 46 -0.942 -8.450 -4.144 263 2HD LYS 46 2HD LYS 46 -0.744 -10.151 -4.570 264 1HE LYS 46 1HE LYS 46 -2.861 -10.339 -5.344 265 2HE LYS 46 2HE LYS 46 -3.516 -9.243 -4.128 266 1HZ LYS 46 1HZ LYS 46 -2.444 -7.407 -5.424 267 2HZ LYS 46 2HZ LYS 46 -3.730 -8.177 -6.207 268 3HZ LYS 46 3HZ LYS 46 -2.136 -8.529 -6.652 269 H ILE 47 H ILE 47 0.964 -10.296 0.752 270 HA ILE 47 HA ILE 47 -1.248 -10.042 2.524 271 HB ILE 47 HB ILE 47 1.504 -11.214 2.673 272 1HG1 ILE 47 1HG1 ILE 47 -0.094 -12.705 1.797 273 2HG1 ILE 47 2HG1 ILE 47 0.125 -13.211 3.468 274 1HG2 ILE 47 1HG2 ILE 47 1.043 -11.872 5.062 275 2HG2 ILE 47 2HG2 ILE 47 -0.214 -10.636 5.069 276 3HG2 ILE 47 3HG2 ILE 47 1.469 -10.179 4.791 277 1HD1 ILE 47 1HD1 ILE 47 -1.933 -11.640 3.872 278 2HD1 ILE 47 2HD1 ILE 47 -2.141 -13.292 3.287 279 3HD1 ILE 47 3HD1 ILE 47 -2.210 -11.940 2.156 280 H TRP 48 H TRP 48 1.928 -8.627 2.279 281 HA TRP 48 HA TRP 48 2.045 -7.206 4.673 282 1HB TRP 48 1HB TRP 48 3.942 -7.686 3.189 283 2HB TRP 48 2HB TRP 48 3.254 -6.641 1.960 284 HD1 TRP 48 HD1 TRP 48 5.630 -6.644 4.778 285 HE1 TRP 48 HE1 TRP 48 6.469 -4.261 5.201 286 HE3 TRP 48 HE3 TRP 48 2.236 -4.036 2.007 287 HZ2 TRP 48 HZ2 TRP 48 5.808 -1.630 4.487 288 HZ3 TRP 48 HZ3 TRP 48 2.406 -1.591 1.928 289 HH2 TRP 48 HH2 TRP 48 4.163 -0.419 3.134 290 H PHE 49 H PHE 49 1.057 -6.153 1.436 291 HA PHE 49 HA PHE 49 0.308 -3.554 2.294 292 1HB PHE 49 1HB PHE 49 0.037 -5.097 -0.239 293 2HB PHE 49 2HB PHE 49 -0.967 -3.658 -0.018 294 HD1 PHE 49 HD1 PHE 49 0.003 -1.475 0.125 295 HD2 PHE 49 HD2 PHE 49 2.439 -4.924 -0.313 296 HE1 PHE 49 HE1 PHE 49 1.955 -0.033 -0.343 297 HE2 PHE 49 HE2 PHE 49 4.392 -3.503 -0.787 298 HZ PHE 49 HZ PHE 49 4.158 -1.062 -0.778 299 H GLN 50 H GLN 50 -1.486 -6.525 1.707 300 HA GLN 50 HA GLN 50 -4.023 -5.384 2.139 301 1HB GLN 50 1HB GLN 50 -2.998 -8.215 2.288 302 2HB GLN 50 2HB GLN 50 -4.676 -7.820 2.635 303 1HG GLN 50 1HG GLN 50 -3.998 -6.585 0.182 304 2HG GLN 50 2HG GLN 50 -3.424 -8.251 0.124 305 1HE2 GLN 50 1HE2 GLN 50 -4.830 -9.620 -0.672 306 2HE2 GLN 50 2HE2 GLN 50 -6.551 -9.501 -0.570 307 H ASN 51 H ASN 51 -1.551 -6.631 4.280 308 HA ASN 51 HA ASN 51 -3.268 -6.720 6.591 309 1HB ASN 51 1HB ASN 51 -0.346 -7.129 6.089 310 2HB ASN 51 2HB ASN 51 -0.902 -6.855 7.738 311 1HD2 ASN 51 1HD2 ASN 51 -1.303 -8.621 8.833 312 2HD2 ASN 51 2HD2 ASN 51 -1.818 -10.136 8.183 313 H LYS 52 H LYS 52 -0.790 -4.529 5.331 314 HA LYS 52 HA LYS 52 -0.778 -2.752 7.521 315 1HB LYS 52 1HB LYS 52 0.594 -2.991 5.100 316 2HB LYS 52 2HB LYS 52 -0.225 -1.439 4.993 317 1HG LYS 52 1HG LYS 52 0.798 -1.317 7.503 318 2HG LYS 52 2HG LYS 52 2.024 -2.276 6.673 319 1HD LYS 52 1HD LYS 52 2.685 -0.548 5.370 320 2HD LYS 52 2HD LYS 52 1.051 0.103 5.225 321 1HE LYS 52 1HE LYS 52 2.955 0.409 7.540 322 2HE LYS 52 2HE LYS 52 2.363 1.672 6.461 323 1HZ LYS 52 1HZ LYS 52 1.015 1.955 8.268 324 2HZ LYS 52 2HZ LYS 52 0.979 0.311 8.661 325 3HZ LYS 52 3HZ LYS 52 0.064 0.889 7.362 326 H ARG 53 H ARG 53 -2.870 -3.078 4.757 327 HA ARG 53 HA ARG 53 -4.161 -0.516 5.267 328 1HB ARG 53 1HB ARG 53 -4.301 -2.568 3.103 329 2HB ARG 53 2HB ARG 53 -5.653 -1.463 3.315 330 1HG ARG 53 1HG ARG 53 -2.845 -0.451 3.060 331 2HG ARG 53 2HG ARG 53 -3.823 -0.833 1.640 332 1HD ARG 53 1HD ARG 53 -5.305 0.880 2.032 333 2HD ARG 53 2HD ARG 53 -4.982 0.906 3.764 334 HE ARG 53 HE ARG 53 -2.640 1.726 2.693 335 1HH1 ARG 53 1HH1 ARG 53 -5.946 2.761 2.264 336 2HH1 ARG 53 2HH1 ARG 53 -5.518 4.403 1.919 337 1HH2 ARG 53 1HH2 ARG 53 -2.076 3.885 2.240 338 2HH2 ARG 53 2HH2 ARG 53 -3.322 5.042 1.904 339 H ALA 54 H ALA 54 -4.304 -3.055 7.019 340 HA ALA 54 HA ALA 54 -7.180 -3.547 6.984 341 1HB ALA 54 1HB ALA 54 -4.983 -4.822 8.607 342 2HB ALA 54 2HB ALA 54 -5.750 -5.491 7.167 343 3HB ALA 54 3HB ALA 54 -6.683 -5.290 8.651 344 H LYS 55 H LYS 55 -6.000 -0.959 7.855 345 HA LYS 55 HA LYS 55 -7.683 -0.425 10.022 346 1HB LYS 55 1HB LYS 55 -5.988 -0.016 11.795 347 2HB LYS 55 2HB LYS 55 -6.169 -1.715 11.383 348 1HG LYS 55 1HG LYS 55 -4.133 -1.700 10.133 349 2HG LYS 55 2HG LYS 55 -3.994 0.052 10.290 350 1HD LYS 55 1HD LYS 55 -3.352 -0.060 12.496 351 2HD LYS 55 2HD LYS 55 -4.154 -1.611 12.759 352 1HE LYS 55 1HE LYS 55 -1.915 -2.196 12.769 353 2HE LYS 55 2HE LYS 55 -2.388 -2.527 11.103 354 1HZ LYS 55 1HZ LYS 55 -1.403 0.153 11.627 355 2HZ LYS 55 2HZ LYS 55 -1.101 -0.876 10.320 356 3HZ LYS 55 3HZ LYS 55 -0.257 -1.084 11.770 357 H ILE 56 H ILE 56 -4.637 0.435 8.448 358 HA ILE 56 HA ILE 56 -3.781 2.421 7.736 359 HB ILE 56 HB ILE 56 -6.636 3.389 7.679 360 1HG1 ILE 56 1HG1 ILE 56 -6.091 2.569 5.131 361 2HG1 ILE 56 2HG1 ILE 56 -5.253 1.339 6.073 362 1HG2 ILE 56 1HG2 ILE 56 -4.672 4.129 5.604 363 2HG2 ILE 56 2HG2 ILE 56 -4.408 4.805 7.212 364 3HG2 ILE 56 3HG2 ILE 56 -5.933 5.094 6.375 365 1HD1 ILE 56 1HD1 ILE 56 -7.218 0.303 6.133 366 2HD1 ILE 56 2HD1 ILE 56 -8.096 1.748 5.636 367 3HD1 ILE 56 3HD1 ILE 56 -7.677 1.510 7.333 368 H LYS 57 H LYS 57 -2.631 3.272 9.391 369 HA LYS 57 HA LYS 57 -4.068 4.880 11.389 370 1HB LYS 57 1HB LYS 57 -1.388 3.506 11.445 371 2HB LYS 57 2HB LYS 57 -1.826 4.735 12.623 372 1HG LYS 57 1HG LYS 57 -3.828 3.342 13.197 373 2HG LYS 57 2HG LYS 57 -3.152 2.075 12.169 374 1HD LYS 57 1HD LYS 57 -2.487 1.575 14.392 375 2HD LYS 57 2HD LYS 57 -1.062 2.212 13.571 376 1HE LYS 57 1HE LYS 57 -2.759 4.190 14.953 377 2HE LYS 57 2HE LYS 57 -1.898 3.053 15.989 378 1HZ LYS 57 1HZ LYS 57 -0.837 5.318 15.099 379 2HZ LYS 57 2HZ LYS 57 -0.333 4.274 13.868 380 3HZ LYS 57 3HZ LYS 57 0.084 3.951 15.475 381 H LYS 58 H LYS 58 -4.136 6.966 10.881 382 HA LYS 58 HA LYS 58 -1.736 8.194 9.687 383 1HB LYS 58 1HB LYS 58 -4.356 8.132 8.685 384 2HB LYS 58 2HB LYS 58 -4.138 9.762 9.310 385 1HG LYS 58 1HG LYS 58 -3.319 10.126 7.247 386 2HG LYS 58 2HG LYS 58 -1.836 9.494 7.966 387 1HD LYS 58 1HD LYS 58 -2.277 7.302 7.082 388 2HD LYS 58 2HD LYS 58 -3.867 7.809 6.507 389 1HE LYS 58 1HE LYS 58 -2.195 7.709 4.700 390 2HE LYS 58 2HE LYS 58 -2.851 9.330 4.926 391 1HZ LYS 58 1HZ LYS 58 -0.875 10.130 5.603 392 2HZ LYS 58 2HZ LYS 58 -0.254 8.814 4.740 393 3HZ LYS 58 3HZ LYS 58 -0.436 8.714 6.419 394 H SER 59 H SER 59 -4.650 9.101 11.540 395 HA SER 59 HA SER 59 -3.154 11.225 12.853 396 1HB SER 59 1HB SER 59 -5.586 11.398 11.968 397 2HB SER 59 2HB SER 59 -6.022 10.527 13.438 398 HG SER 59 HG SER 59 -5.366 13.131 13.118 Start of MODEL 21 1 1H ALA 16 1H ALA 16 -2.947 20.109 -11.023 2 2H ALA 16 2H ALA 16 -3.162 21.092 -12.413 3 3H ALA 16 3H ALA 16 -2.890 19.406 -12.585 4 HA ALA 16 HA ALA 16 -5.200 20.558 -11.186 5 1HB ALA 16 1HB ALA 16 -6.491 20.306 -13.156 6 2HB ALA 16 2HB ALA 16 -5.172 19.495 -14.001 7 3HB ALA 16 3HB ALA 16 -5.048 21.211 -13.615 8 H LYS 17 H LYS 17 -7.020 18.889 -11.350 9 HA LYS 17 HA LYS 17 -5.884 16.216 -10.849 10 1HB LYS 17 1HB LYS 17 -7.057 17.626 -8.968 11 2HB LYS 17 2HB LYS 17 -8.533 17.069 -9.744 12 1HG LYS 17 1HG LYS 17 -6.674 14.897 -9.315 13 2HG LYS 17 2HG LYS 17 -7.061 15.737 -7.812 14 1HD LYS 17 1HD LYS 17 -9.183 14.992 -7.801 15 2HD LYS 17 2HD LYS 17 -9.372 15.213 -9.541 16 1HE LYS 17 1HE LYS 17 -7.768 12.967 -8.343 17 2HE LYS 17 2HE LYS 17 -9.491 12.830 -8.690 18 1HZ LYS 17 1HZ LYS 17 -7.585 13.673 -10.779 19 2HZ LYS 17 2HZ LYS 17 -9.127 13.004 -10.961 20 3HZ LYS 17 3HZ LYS 17 -7.839 12.035 -10.447 21 H ARG 18 H ARG 18 -6.183 15.112 -12.699 22 HA ARG 18 HA ARG 18 -8.839 15.210 -13.960 23 1HB ARG 18 1HB ARG 18 -6.161 14.384 -15.089 24 2HB ARG 18 2HB ARG 18 -7.685 14.239 -15.954 25 1HG ARG 18 1HG ARG 18 -7.072 16.908 -14.868 26 2HG ARG 18 2HG ARG 18 -6.031 16.342 -16.175 27 1HD ARG 18 1HD ARG 18 -8.579 15.681 -17.024 28 2HD ARG 18 2HD ARG 18 -8.790 17.250 -16.248 29 HE ARG 18 HE ARG 18 -7.768 18.183 -18.051 30 1HH1 ARG 18 1HH1 ARG 18 -6.713 14.865 -17.816 31 2HH1 ARG 18 2HH1 ARG 18 -5.767 14.933 -19.265 32 1HH2 ARG 18 1HH2 ARG 18 -6.525 18.273 -19.957 33 2HH2 ARG 18 2HH2 ARG 18 -5.660 16.867 -20.480 34 H GLU 19 H GLU 19 -6.254 12.768 -13.951 35 HA GLU 19 HA GLU 19 -8.067 10.850 -12.699 36 1HB GLU 19 1HB GLU 19 -6.774 10.481 -15.402 37 2HB GLU 19 2HB GLU 19 -7.414 9.146 -14.453 38 1HG GLU 19 1HG GLU 19 -9.233 9.548 -15.725 39 2HG GLU 19 2HG GLU 19 -9.565 10.703 -14.435 40 H PHE 20 H PHE 20 -6.951 10.195 -10.987 41 HA PHE 20 HA PHE 20 -4.113 10.266 -10.840 42 1HB PHE 20 1HB PHE 20 -4.426 9.163 -8.643 43 2HB PHE 20 2HB PHE 20 -5.455 10.578 -8.841 44 HD1 PHE 20 HD1 PHE 20 -5.523 6.878 -9.276 45 HD2 PHE 20 HD2 PHE 20 -7.695 10.414 -8.334 46 HE1 PHE 20 HE1 PHE 20 -7.494 5.515 -8.720 47 HE2 PHE 20 HE2 PHE 20 -9.670 9.058 -7.776 48 HZ PHE 20 HZ PHE 20 -9.571 6.605 -7.970 49 H ASN 21 H ASN 21 -3.038 8.162 -9.846 50 HA ASN 21 HA ASN 21 -3.200 6.173 -11.952 51 1HB ASN 21 1HB ASN 21 -1.203 7.076 -10.043 52 2HB ASN 21 2HB ASN 21 -1.306 5.321 -10.102 53 1HD2 ASN 21 1HD2 ASN 21 0.956 6.637 -10.903 54 2HD2 ASN 21 2HD2 ASN 21 1.146 6.475 -12.613 55 H GLU 22 H GLU 22 -4.044 4.180 -11.773 56 HA GLU 22 HA GLU 22 -5.457 3.522 -9.320 57 1HB GLU 22 1HB GLU 22 -5.616 2.715 -12.153 58 2HB GLU 22 2HB GLU 22 -5.979 1.445 -10.993 59 1HG GLU 22 1HG GLU 22 -7.881 2.452 -10.267 60 2HG GLU 22 2HG GLU 22 -7.280 4.076 -10.598 61 H ASN 23 H ASN 23 -3.962 2.836 -7.847 62 HA ASN 23 HA ASN 23 -2.558 1.412 -6.768 63 1HB ASN 23 1HB ASN 23 -3.170 -0.608 -8.896 64 2HB ASN 23 2HB ASN 23 -2.704 -0.899 -7.226 65 1HD2 ASN 23 1HD2 ASN 23 -4.276 0.250 -5.634 66 2HD2 ASN 23 2HD2 ASN 23 -5.952 -0.031 -5.942 67 H ARG 24 H ARG 24 -1.496 3.124 -8.632 68 HA ARG 24 HA ARG 24 0.910 1.663 -9.481 69 1HB ARG 24 1HB ARG 24 -0.397 3.954 -10.960 70 2HB ARG 24 2HB ARG 24 1.068 3.108 -11.448 71 1HG ARG 24 1HG ARG 24 -1.493 1.613 -11.084 72 2HG ARG 24 2HG ARG 24 -1.180 2.513 -12.571 73 1HD ARG 24 1HD ARG 24 1.048 1.245 -12.638 74 2HD ARG 24 2HD ARG 24 0.326 0.177 -11.435 75 HE ARG 24 HE ARG 24 -0.998 -0.729 -13.075 76 1HH1 ARG 24 1HH1 ARG 24 0.455 2.209 -14.273 77 2HH1 ARG 24 2HH1 ARG 24 -0.068 1.951 -15.903 78 1HH2 ARG 24 1HH2 ARG 24 -1.689 -1.069 -15.217 79 2HH2 ARG 24 2HH2 ARG 24 -1.288 0.091 -16.439 80 H TYR 25 H TYR 25 -0.507 4.751 -8.603 81 HA TYR 25 HA TYR 25 1.660 6.389 -8.388 82 1HB TYR 25 1HB TYR 25 0.371 7.668 -6.754 83 2HB TYR 25 2HB TYR 25 -0.678 7.097 -8.048 84 HD1 TYR 25 HD1 TYR 25 -1.674 4.612 -7.486 85 HD2 TYR 25 HD2 TYR 25 -0.525 7.555 -4.636 86 HE1 TYR 25 HE1 TYR 25 -3.134 3.555 -5.823 87 HE2 TYR 25 HE2 TYR 25 -1.992 6.508 -2.962 88 HH TYR 25 HH TYR 25 -3.083 4.462 -2.486 89 H LEU 26 H LEU 26 0.434 4.215 -5.833 90 HA LEU 26 HA LEU 26 3.065 4.451 -4.545 91 1HB LEU 26 1HB LEU 26 2.184 4.974 -2.554 92 2HB LEU 26 2HB LEU 26 0.809 5.488 -3.501 93 HG LEU 26 HG LEU 26 -0.012 4.261 -1.640 94 1HD1 LEU 26 1HD1 LEU 26 -1.551 3.242 -2.852 95 2HD1 LEU 26 2HD1 LEU 26 -0.408 2.005 -3.374 96 3HD1 LEU 26 3HD1 LEU 26 -0.542 3.519 -4.270 97 1HD2 LEU 26 1HD2 LEU 26 1.245 1.687 -2.268 98 2HD2 LEU 26 2HD2 LEU 26 0.925 2.450 -0.710 99 3HD2 LEU 26 3HD2 LEU 26 2.343 2.920 -1.647 100 H THR 27 H THR 27 0.462 2.370 -5.516 101 HA THR 27 HA THR 27 1.138 0.095 -4.038 102 HB THR 27 HB THR 27 -0.404 0.631 -6.515 103 HG1 THR 27 HG1 THR 27 -2.034 -0.177 -5.295 104 1HG2 THR 27 1HG2 THR 27 0.387 -1.317 -7.404 105 2HG2 THR 27 2HG2 THR 27 -0.965 -1.913 -6.441 106 3HG2 THR 27 3HG2 THR 27 0.683 -2.045 -5.825 107 H GLU 28 H GLU 28 1.607 0.249 -7.547 108 HA GLU 28 HA GLU 28 3.656 -1.661 -7.594 109 1HB GLU 28 1HB GLU 28 2.997 0.479 -9.620 110 2HB GLU 28 2HB GLU 28 4.024 -0.918 -9.919 111 1HG GLU 28 1HG GLU 28 1.780 -2.119 -8.995 112 2HG GLU 28 2HG GLU 28 1.103 -0.708 -9.807 113 H ARG 29 H ARG 29 3.763 1.836 -7.310 114 HA ARG 29 HA ARG 29 6.508 2.161 -7.873 115 1HB ARG 29 1HB ARG 29 4.418 3.814 -6.526 116 2HB ARG 29 2HB ARG 29 6.104 4.294 -6.376 117 1HG ARG 29 1HG ARG 29 5.136 3.679 -9.100 118 2HG ARG 29 2HG ARG 29 4.512 5.143 -8.340 119 1HD ARG 29 1HD ARG 29 6.380 6.039 -9.249 120 2HD ARG 29 2HD ARG 29 7.106 5.435 -7.762 121 HE ARG 29 HE ARG 29 7.471 4.387 -10.443 122 1HH1 ARG 29 1HH1 ARG 29 7.926 3.883 -7.016 123 2HH1 ARG 29 2HH1 ARG 29 9.185 2.717 -7.230 124 1HH2 ARG 29 1HH2 ARG 29 9.127 2.852 -10.720 125 2HH2 ARG 29 2HH2 ARG 29 9.866 2.131 -9.331 126 H ARG 30 H ARG 30 4.777 1.873 -4.774 127 HA ARG 30 HA ARG 30 7.248 1.863 -3.288 128 1HB ARG 30 1HB ARG 30 4.431 1.265 -2.370 129 2HB ARG 30 2HB ARG 30 5.823 1.474 -1.320 130 1HG ARG 30 1HG ARG 30 6.013 3.789 -2.518 131 2HG ARG 30 2HG ARG 30 4.310 3.508 -2.883 132 1HD ARG 30 1HD ARG 30 4.346 2.879 -0.263 133 2HD ARG 30 2HD ARG 30 5.634 4.082 -0.310 134 HE ARG 30 HE ARG 30 2.825 4.550 -0.598 135 1HH1 ARG 30 1HH1 ARG 30 5.993 5.737 -1.455 136 2HH1 ARG 30 2HH1 ARG 30 5.458 7.370 -1.675 137 1HH2 ARG 30 1HH2 ARG 30 2.120 6.696 -0.887 138 2HH2 ARG 30 2HH2 ARG 30 3.260 7.915 -1.353 139 H ARG 31 H ARG 31 5.060 -0.510 -4.601 140 HA ARG 31 HA ARG 31 5.807 -2.729 -3.058 141 1HB ARG 31 1HB ARG 31 4.561 -2.336 -5.733 142 2HB ARG 31 2HB ARG 31 5.189 -3.933 -5.350 143 1HG ARG 31 1HG ARG 31 3.796 -3.920 -3.292 144 2HG ARG 31 2HG ARG 31 3.088 -2.400 -3.836 145 1HD ARG 31 1HD ARG 31 1.696 -4.361 -4.396 146 2HD ARG 31 2HD ARG 31 2.221 -3.463 -5.820 147 HE ARG 31 HE ARG 31 3.929 -5.676 -5.125 148 1HH1 ARG 31 1HH1 ARG 31 1.103 -4.675 -6.913 149 2HH1 ARG 31 2HH1 ARG 31 1.191 -5.993 -8.032 150 1HH2 ARG 31 1HH2 ARG 31 4.045 -7.410 -6.595 151 2HH2 ARG 31 2HH2 ARG 31 2.860 -7.546 -7.851 152 H GLN 32 H GLN 32 7.183 -1.392 -6.026 153 HA GLN 32 HA GLN 32 9.050 -3.452 -6.494 154 1HB GLN 32 1HB GLN 32 8.440 -0.839 -7.581 155 2HB GLN 32 2HB GLN 32 10.179 -1.083 -7.480 156 1HG GLN 32 1HG GLN 32 9.816 -1.958 -9.533 157 2HG GLN 32 2HG GLN 32 9.544 -3.409 -8.568 158 1HE2 GLN 32 1HE2 GLN 32 7.427 -4.134 -8.239 159 2HE2 GLN 32 2HE2 GLN 32 6.127 -3.635 -9.261 160 H GLN 33 H GLN 33 9.340 -0.354 -4.786 161 HA GLN 33 HA GLN 33 12.082 -0.780 -4.084 162 1HB GLN 33 1HB GLN 33 10.131 1.160 -2.839 163 2HB GLN 33 2HB GLN 33 11.886 1.250 -2.796 164 1HG GLN 33 1HG GLN 33 11.320 1.170 -5.490 165 2HG GLN 33 2HG GLN 33 10.020 2.157 -4.824 166 1HE2 GLN 33 1HE2 GLN 33 10.890 3.765 -3.103 167 2HE2 GLN 33 2HE2 GLN 33 12.272 4.677 -3.596 168 H LEU 34 H LEU 34 8.983 -1.246 -2.470 169 HA LEU 34 HA LEU 34 9.994 -1.763 0.106 170 1HB LEU 34 1HB LEU 34 7.436 -2.385 -1.304 171 2HB LEU 34 2HB LEU 34 7.756 -3.117 0.257 172 HG LEU 34 HG LEU 34 7.799 -0.140 -0.227 173 1HD1 LEU 34 1HD1 LEU 34 5.570 -1.982 0.176 174 2HD1 LEU 34 2HD1 LEU 34 5.580 -0.312 -0.393 175 3HD1 LEU 34 3HD1 LEU 34 5.616 -0.654 1.336 176 1HD2 LEU 34 1HD2 LEU 34 8.961 -1.478 1.786 177 2HD2 LEU 34 2HD2 LEU 34 7.330 -1.319 2.438 178 3HD2 LEU 34 3HD2 LEU 34 8.238 0.120 1.974 179 H SER 35 H SER 35 9.434 -3.839 -2.677 180 HA SER 35 HA SER 35 9.850 -6.304 -1.373 181 1HB SER 35 1HB SER 35 10.294 -7.186 -3.661 182 2HB SER 35 2HB SER 35 8.822 -6.219 -3.574 183 HG SER 35 HG SER 35 11.058 -5.818 -5.045 184 H SER 36 H SER 36 12.066 -4.310 -3.324 185 HA SER 36 HA SER 36 14.351 -5.907 -2.803 186 1HB SER 36 1HB SER 36 14.069 -4.318 -4.740 187 2HB SER 36 2HB SER 36 14.332 -2.992 -3.607 188 HG SER 36 HG SER 36 16.247 -3.727 -4.730 189 H GLU 37 H GLU 37 13.013 -3.022 -1.277 190 HA GLU 37 HA GLU 37 15.209 -2.452 0.396 191 1HB GLU 37 1HB GLU 37 12.286 -1.759 0.508 192 2HB GLU 37 2HB GLU 37 13.381 -1.283 1.799 193 1HG GLU 37 1HG GLU 37 14.671 0.056 0.324 194 2HG GLU 37 2HG GLU 37 13.834 -0.586 -1.089 195 H LEU 38 H LEU 38 12.213 -4.269 1.005 196 HA LEU 38 HA LEU 38 13.139 -5.051 3.635 197 1HB LEU 38 1HB LEU 38 10.641 -5.523 2.052 198 2HB LEU 38 2HB LEU 38 10.974 -6.489 3.477 199 HG LEU 38 HG LEU 38 11.362 -3.867 4.332 200 1HD1 LEU 38 1HD1 LEU 38 10.310 -2.652 2.740 201 2HD1 LEU 38 2HD1 LEU 38 8.886 -3.122 3.667 202 3HD1 LEU 38 3HD1 LEU 38 9.317 -4.006 2.202 203 1HD2 LEU 38 1HD2 LEU 38 9.849 -4.449 5.909 204 2HD2 LEU 38 2HD2 LEU 38 10.084 -6.052 5.213 205 3HD2 LEU 38 3HD2 LEU 38 8.697 -5.076 4.731 206 H GLY 39 H GLY 39 13.280 -6.285 0.433 207 1HA GLY 39 1HA GLY 39 14.419 -8.129 -0.361 208 2HA GLY 39 2HA GLY 39 14.844 -8.528 1.298 209 H LEU 40 H LEU 40 11.522 -8.045 0.385 210 HA LEU 40 HA LEU 40 11.072 -10.933 0.736 211 1HB LEU 40 1HB LEU 40 8.608 -9.918 1.070 212 2HB LEU 40 2HB LEU 40 9.744 -10.151 2.386 213 HG LEU 40 HG LEU 40 10.452 -7.731 2.014 214 1HD1 LEU 40 1HD1 LEU 40 8.998 -7.905 -0.255 215 2HD1 LEU 40 2HD1 LEU 40 9.376 -6.389 0.564 216 3HD1 LEU 40 3HD1 LEU 40 7.818 -7.173 0.832 217 1HD2 LEU 40 1HD2 LEU 40 7.971 -8.772 3.207 218 2HD2 LEU 40 2HD2 LEU 40 8.032 -7.024 2.978 219 3HD2 LEU 40 3HD2 LEU 40 9.275 -7.832 3.933 220 H ASN 41 H ASN 41 9.289 -11.872 -0.477 221 HA ASN 41 HA ASN 41 9.324 -10.932 -3.220 222 1HB ASN 41 1HB ASN 41 7.978 -13.090 -3.593 223 2HB ASN 41 2HB ASN 41 9.657 -13.256 -3.089 224 1HD2 ASN 41 1HD2 ASN 41 6.375 -13.111 -1.824 225 2HD2 ASN 41 2HD2 ASN 41 6.632 -14.212 -0.518 226 H GLU 42 H GLU 42 7.367 -10.712 -4.473 227 HA GLU 42 HA GLU 42 5.532 -8.928 -3.442 228 1HB GLU 42 1HB GLU 42 5.011 -10.893 -5.682 229 2HB GLU 42 2HB GLU 42 4.199 -9.353 -5.431 230 1HG GLU 42 1HG GLU 42 5.678 -8.511 -6.859 231 2HG GLU 42 2HG GLU 42 6.849 -8.638 -5.547 232 H ALA 43 H ALA 43 5.517 -12.408 -3.349 233 HA ALA 43 HA ALA 43 2.816 -12.882 -2.763 234 1HB ALA 43 1HB ALA 43 4.772 -14.560 -1.328 235 2HB ALA 43 2HB ALA 43 4.973 -14.477 -3.078 236 3HB ALA 43 3HB ALA 43 3.444 -15.024 -2.391 237 H GLN 44 H GLN 44 5.492 -11.830 -0.779 238 HA GLN 44 HA GLN 44 4.031 -11.957 1.712 239 1HB GLN 44 1HB GLN 44 6.721 -10.954 0.843 240 2HB GLN 44 2HB GLN 44 6.080 -10.478 2.409 241 1HG GLN 44 1HG GLN 44 5.954 -13.354 1.867 242 2HG GLN 44 2HG GLN 44 7.583 -12.686 1.951 243 1HE2 GLN 44 1HE2 GLN 44 4.737 -11.590 3.711 244 2HE2 GLN 44 2HE2 GLN 44 5.339 -11.970 5.285 245 H ILE 45 H ILE 45 4.696 -9.739 -0.836 246 HA ILE 45 HA ILE 45 4.074 -7.307 0.433 247 HB ILE 45 HB ILE 45 4.010 -8.135 -2.468 248 1HG1 ILE 45 1HG1 ILE 45 6.206 -8.095 -1.282 249 2HG1 ILE 45 2HG1 ILE 45 6.110 -6.948 -2.617 250 1HG2 ILE 45 1HG2 ILE 45 2.455 -6.217 -1.979 251 2HG2 ILE 45 2HG2 ILE 45 3.746 -5.876 -3.129 252 3HG2 ILE 45 3HG2 ILE 45 3.875 -5.307 -1.467 253 1HD1 ILE 45 1HD1 ILE 45 5.504 -5.210 -0.868 254 2HD1 ILE 45 2HD1 ILE 45 7.167 -5.800 -0.889 255 3HD1 ILE 45 3HD1 ILE 45 6.034 -6.398 0.323 256 H LYS 46 H LYS 46 2.075 -9.672 -1.302 257 HA LYS 46 HA LYS 46 -0.288 -8.178 -1.454 258 1HB LYS 46 1HB LYS 46 0.312 -10.524 -2.435 259 2HB LYS 46 2HB LYS 46 -0.325 -11.132 -0.914 260 1HG LYS 46 1HG LYS 46 -2.370 -9.601 -1.536 261 2HG LYS 46 2HG LYS 46 -1.735 -9.808 -3.170 262 1HD LYS 46 1HD LYS 46 -1.761 -12.278 -2.781 263 2HD LYS 46 2HD LYS 46 -2.587 -11.973 -1.251 264 1HE LYS 46 1HE LYS 46 -4.434 -12.251 -2.519 265 2HE LYS 46 2HE LYS 46 -4.155 -10.553 -2.907 266 1HZ LYS 46 1HZ LYS 46 -3.798 -12.920 -4.565 267 2HZ LYS 46 2HZ LYS 46 -2.648 -11.694 -4.752 268 3HZ LYS 46 3HZ LYS 46 -4.287 -11.358 -4.996 269 H ILE 47 H ILE 47 0.846 -10.433 1.026 270 HA ILE 47 HA ILE 47 -1.326 -10.018 2.823 271 HB ILE 47 HB ILE 47 1.299 -11.385 2.889 272 1HG1 ILE 47 1HG1 ILE 47 -0.435 -12.900 4.333 273 2HG1 ILE 47 2HG1 ILE 47 -1.559 -11.987 3.331 274 1HG2 ILE 47 1HG2 ILE 47 1.133 -11.726 5.376 275 2HG2 ILE 47 2HG2 ILE 47 -0.013 -10.386 5.408 276 3HG2 ILE 47 3HG2 ILE 47 1.645 -10.116 4.866 277 1HD1 ILE 47 1HD1 ILE 47 0.783 -13.384 2.110 278 2HD1 ILE 47 2HD1 ILE 47 -0.742 -12.900 1.367 279 3HD1 ILE 47 3HD1 ILE 47 -0.700 -14.258 2.493 280 H TRP 48 H TRP 48 1.906 -8.727 2.492 281 HA TRP 48 HA TRP 48 2.110 -7.194 4.799 282 1HB TRP 48 1HB TRP 48 3.968 -7.699 3.282 283 2HB TRP 48 2HB TRP 48 3.221 -6.736 2.022 284 HD1 TRP 48 HD1 TRP 48 5.729 -6.543 4.705 285 HE1 TRP 48 HE1 TRP 48 6.523 -4.119 4.993 286 HE3 TRP 48 HE3 TRP 48 2.120 -4.127 2.028 287 HZ2 TRP 48 HZ2 TRP 48 5.746 -1.541 4.228 288 HZ3 TRP 48 HZ3 TRP 48 2.215 -1.683 1.858 289 HH2 TRP 48 HH2 TRP 48 3.999 -0.421 2.925 290 H PHE 49 H PHE 49 0.982 -6.271 1.573 291 HA PHE 49 HA PHE 49 0.252 -3.639 2.363 292 1HB PHE 49 1HB PHE 49 -0.080 -5.268 -0.102 293 2HB PHE 49 2HB PHE 49 -1.129 -3.860 0.106 294 HD1 PHE 49 HD1 PHE 49 2.317 -5.005 -0.267 295 HD2 PHE 49 HD2 PHE 49 -0.240 -1.638 0.130 296 HE1 PHE 49 HE1 PHE 49 4.194 -3.529 -0.852 297 HE2 PHE 49 HE2 PHE 49 1.634 -0.143 -0.469 298 HZ PHE 49 HZ PHE 49 3.863 -1.103 -0.933 299 H GLN 50 H GLN 50 -1.548 -6.634 1.961 300 HA GLN 50 HA GLN 50 -4.074 -5.494 2.463 301 1HB GLN 50 1HB GLN 50 -3.000 -8.300 2.610 302 2HB GLN 50 2HB GLN 50 -4.646 -7.938 3.111 303 1HG GLN 50 1HG GLN 50 -4.419 -6.718 0.641 304 2HG GLN 50 2HG GLN 50 -3.532 -8.230 0.457 305 1HE2 GLN 50 1HE2 GLN 50 -4.784 -10.098 1.673 306 2HE2 GLN 50 2HE2 GLN 50 -6.443 -10.236 1.213 307 H ASN 51 H ASN 51 -1.501 -6.652 4.534 308 HA ASN 51 HA ASN 51 -3.038 -6.811 6.924 309 1HB ASN 51 1HB ASN 51 -0.177 -6.943 6.194 310 2HB ASN 51 2HB ASN 51 -0.516 -6.398 7.833 311 1HD2 ASN 51 1HD2 ASN 51 0.841 -8.676 7.555 312 2HD2 ASN 51 2HD2 ASN 51 -0.145 -10.040 7.945 313 H LYS 52 H LYS 52 -1.013 -4.295 5.478 314 HA LYS 52 HA LYS 52 -1.278 -2.465 7.640 315 1HB LYS 52 1HB LYS 52 0.237 -2.604 5.313 316 2HB LYS 52 2HB LYS 52 -0.812 -1.218 5.049 317 1HG LYS 52 1HG LYS 52 0.449 0.033 6.365 318 2HG LYS 52 2HG LYS 52 0.236 -1.100 7.701 319 1HD LYS 52 1HD LYS 52 2.090 -2.455 6.828 320 2HD LYS 52 2HD LYS 52 2.307 -1.298 5.514 321 1HE LYS 52 1HE LYS 52 2.753 0.463 7.191 322 2HE LYS 52 2HE LYS 52 2.628 -0.752 8.463 323 1HZ LYS 52 1HZ LYS 52 4.641 -1.598 7.972 324 2HZ LYS 52 2HZ LYS 52 4.922 -0.063 7.323 325 3HZ LYS 52 3HZ LYS 52 4.485 -1.343 6.307 326 H ARG 53 H ARG 53 -2.956 -2.867 4.550 327 HA ARG 53 HA ARG 53 -5.106 -1.151 5.591 328 1HB ARG 53 1HB ARG 53 -5.464 -0.466 3.150 329 2HB ARG 53 2HB ARG 53 -4.103 0.252 3.999 330 1HG ARG 53 1HG ARG 53 -2.546 -1.103 2.868 331 2HG ARG 53 2HG ARG 53 -3.808 -2.181 2.267 332 1HD ARG 53 1HD ARG 53 -2.990 -0.691 0.510 333 2HD ARG 53 2HD ARG 53 -4.691 -0.396 0.869 334 HE ARG 53 HE ARG 53 -4.144 1.707 1.593 335 1HH1 ARG 53 1HH1 ARG 53 -1.230 -0.193 1.322 336 2HH1 ARG 53 2HH1 ARG 53 -0.176 1.156 1.581 337 1HH2 ARG 53 1HH2 ARG 53 -2.759 3.483 1.935 338 2HH2 ARG 53 2HH2 ARG 53 -1.044 3.243 1.930 339 H ALA 54 H ALA 54 -6.558 -2.700 6.090 340 HA ALA 54 HA ALA 54 -7.096 -4.858 4.209 341 1HB ALA 54 1HB ALA 54 -6.948 -5.527 6.490 342 2HB ALA 54 2HB ALA 54 -8.634 -5.668 5.995 343 3HB ALA 54 3HB ALA 54 -8.116 -4.301 6.982 344 H LYS 55 H LYS 55 -7.830 -3.034 2.727 345 HA LYS 55 HA LYS 55 -9.499 -2.019 1.561 346 1HB LYS 55 1HB LYS 55 -10.463 -4.479 2.316 347 2HB LYS 55 2HB LYS 55 -11.717 -3.396 2.903 348 1HG LYS 55 1HG LYS 55 -10.676 -3.434 0.080 349 2HG LYS 55 2HG LYS 55 -12.140 -4.253 0.629 350 1HD LYS 55 1HD LYS 55 -13.243 -2.237 1.063 351 2HD LYS 55 2HD LYS 55 -11.740 -1.312 1.069 352 1HE LYS 55 1HE LYS 55 -11.724 -2.343 -1.445 353 2HE LYS 55 2HE LYS 55 -13.453 -2.129 -1.174 354 1HZ LYS 55 1HZ LYS 55 -12.576 -0.148 -2.140 355 2HZ LYS 55 2HZ LYS 55 -11.349 -0.045 -0.980 356 3HZ LYS 55 3HZ LYS 55 -12.961 0.193 -0.528 357 H ILE 56 H ILE 56 -8.626 -0.662 3.825 358 HA ILE 56 HA ILE 56 -9.160 1.146 5.102 359 HB ILE 56 HB ILE 56 -11.876 1.051 3.787 360 1HG1 ILE 56 1HG1 ILE 56 -9.868 2.956 2.781 361 2HG1 ILE 56 2HG1 ILE 56 -9.503 1.267 2.442 362 1HG2 ILE 56 1HG2 ILE 56 -11.644 3.574 4.198 363 2HG2 ILE 56 2HG2 ILE 56 -10.369 3.130 5.331 364 3HG2 ILE 56 3HG2 ILE 56 -12.011 2.537 5.577 365 1HD1 ILE 56 1HD1 ILE 56 -10.811 2.552 0.693 366 2HD1 ILE 56 2HD1 ILE 56 -12.173 2.471 1.811 367 3HD1 ILE 56 3HD1 ILE 56 -11.457 0.987 1.185 368 H LYS 57 H LYS 57 -9.143 0.314 7.132 369 HA LYS 57 HA LYS 57 -9.922 -0.388 9.151 370 1HB LYS 57 1HB LYS 57 -12.290 0.884 7.891 371 2HB LYS 57 2HB LYS 57 -12.588 -0.125 9.299 372 1HG LYS 57 1HG LYS 57 -11.160 1.221 10.657 373 2HG LYS 57 2HG LYS 57 -10.601 2.134 9.253 374 1HD LYS 57 1HD LYS 57 -13.514 2.119 9.639 375 2HD LYS 57 2HD LYS 57 -12.601 2.924 10.916 376 1HE LYS 57 1HE LYS 57 -11.906 3.531 8.090 377 2HE LYS 57 2HE LYS 57 -13.395 4.212 8.745 378 1HZ LYS 57 1HZ LYS 57 -11.695 5.784 9.121 379 2HZ LYS 57 2HZ LYS 57 -10.631 4.621 9.732 380 3HZ LYS 57 3HZ LYS 57 -11.998 5.067 10.623 381 H LYS 58 H LYS 58 -11.791 -1.872 10.145 382 HA LYS 58 HA LYS 58 -11.926 -4.242 8.400 383 1HB LYS 58 1HB LYS 58 -10.523 -4.433 10.469 384 2HB LYS 58 2HB LYS 58 -11.981 -4.187 11.421 385 1HG LYS 58 1HG LYS 58 -12.894 -6.235 10.766 386 2HG LYS 58 2HG LYS 58 -11.777 -6.400 9.410 387 1HD LYS 58 1HD LYS 58 -10.758 -7.817 10.869 388 2HD LYS 58 2HD LYS 58 -9.994 -6.313 11.386 389 1HE LYS 58 1HE LYS 58 -10.858 -7.721 13.255 390 2HE LYS 58 2HE LYS 58 -11.516 -6.086 13.214 391 1HZ LYS 58 1HZ LYS 58 -13.575 -6.833 12.749 392 2HZ LYS 58 2HZ LYS 58 -13.017 -8.256 13.472 393 3HZ LYS 58 3HZ LYS 58 -13.033 -8.115 11.787 394 H SER 59 H SER 59 -13.652 -2.807 11.177 395 HA SER 59 HA SER 59 -16.073 -4.179 10.667 396 1HB SER 59 1HB SER 59 -15.207 -1.960 12.448 397 2HB SER 59 2HB SER 59 -16.935 -2.111 12.135 398 HG SER 59 HG SER 59 -16.982 -3.982 13.172 Start of MODEL 22 1 1H ALA 16 1H ALA 16 -7.407 19.574 -2.014 2 2H ALA 16 2H ALA 16 -8.121 20.884 -1.166 3 3H ALA 16 3H ALA 16 -8.135 20.859 -2.883 4 HA ALA 16 HA ALA 16 -9.649 19.229 -0.984 5 1HB ALA 16 1HB ALA 16 -10.206 21.275 -3.042 6 2HB ALA 16 2HB ALA 16 -11.021 20.949 -1.511 7 3HB ALA 16 3HB ALA 16 -11.356 19.942 -2.919 8 H LYS 17 H LYS 17 -9.580 17.118 -1.348 9 HA LYS 17 HA LYS 17 -9.258 16.171 -4.117 10 1HB LYS 17 1HB LYS 17 -8.575 14.828 -1.498 11 2HB LYS 17 2HB LYS 17 -8.487 14.033 -3.064 12 1HG LYS 17 1HG LYS 17 -6.565 15.051 -3.621 13 2HG LYS 17 2HG LYS 17 -7.034 16.579 -2.874 14 1HD LYS 17 1HD LYS 17 -6.185 15.999 -0.833 15 2HD LYS 17 2HD LYS 17 -6.466 14.276 -1.085 16 1HE LYS 17 1HE LYS 17 -4.616 14.338 -2.790 17 2HE LYS 17 2HE LYS 17 -4.263 15.974 -2.237 18 1HZ LYS 17 1HZ LYS 17 -4.443 13.938 -0.171 19 2HZ LYS 17 2HZ LYS 17 -3.361 15.228 -0.328 20 3HZ LYS 17 3HZ LYS 17 -3.119 13.810 -1.217 21 H ARG 18 H ARG 18 -10.250 13.896 -4.407 22 HA ARG 18 HA ARG 18 -12.726 13.521 -2.925 23 1HB ARG 18 1HB ARG 18 -13.136 15.098 -4.897 24 2HB ARG 18 2HB ARG 18 -12.829 13.708 -5.930 25 1HG ARG 18 1HG ARG 18 -14.672 12.511 -4.789 26 2HG ARG 18 2HG ARG 18 -15.015 13.983 -3.878 27 1HD ARG 18 1HD ARG 18 -14.845 14.586 -6.677 28 2HD ARG 18 2HD ARG 18 -15.976 13.257 -6.421 29 HE ARG 18 HE ARG 18 -16.320 16.002 -5.647 30 1HH1 ARG 18 1HH1 ARG 18 -17.261 12.707 -4.987 31 2HH1 ARG 18 2HH1 ARG 18 -18.767 13.152 -4.256 32 1HH2 ARG 18 1HH2 ARG 18 -18.300 16.589 -4.687 33 2HH2 ARG 18 2HH2 ARG 18 -19.357 15.356 -4.086 34 H GLU 19 H GLU 19 -11.195 12.413 -5.954 35 HA GLU 19 HA GLU 19 -11.315 9.669 -4.892 36 1HB GLU 19 1HB GLU 19 -13.005 10.330 -6.762 37 2HB GLU 19 2HB GLU 19 -11.607 10.236 -7.824 38 1HG GLU 19 1HG GLU 19 -11.256 7.898 -6.859 39 2HG GLU 19 2HG GLU 19 -12.896 8.054 -6.229 40 H PHE 20 H PHE 20 -9.623 8.297 -5.428 41 HA PHE 20 HA PHE 20 -7.411 9.390 -6.999 42 1HB PHE 20 1HB PHE 20 -5.789 8.689 -5.241 43 2HB PHE 20 2HB PHE 20 -6.837 10.010 -4.732 44 HD1 PHE 20 HD1 PHE 20 -6.646 6.289 -4.613 45 HD2 PHE 20 HD2 PHE 20 -7.858 9.879 -2.677 46 HE1 PHE 20 HE1 PHE 20 -7.309 4.991 -2.630 47 HE2 PHE 20 HE2 PHE 20 -8.523 8.588 -0.690 48 HZ PHE 20 HZ PHE 20 -8.247 6.141 -0.665 49 H ASN 21 H ASN 21 -5.556 7.524 -6.836 50 HA ASN 21 HA ASN 21 -6.810 5.228 -8.068 51 1HB ASN 21 1HB ASN 21 -3.871 5.520 -7.529 52 2HB ASN 21 2HB ASN 21 -4.671 4.600 -8.798 53 1HD2 ASN 21 1HD2 ASN 21 -3.443 7.653 -7.831 54 2HD2 ASN 21 2HD2 ASN 21 -3.734 8.490 -9.314 55 H GLU 22 H GLU 22 -7.849 4.136 -6.440 56 HA GLU 22 HA GLU 22 -6.810 3.517 -3.923 57 1HB GLU 22 1HB GLU 22 -9.178 3.012 -5.268 58 2HB GLU 22 2HB GLU 22 -8.505 1.406 -5.028 59 1HG GLU 22 1HG GLU 22 -8.297 2.988 -2.628 60 2HG GLU 22 2HG GLU 22 -9.961 2.911 -3.205 61 H ASN 23 H ASN 23 -4.888 2.600 -3.643 62 HA ASN 23 HA ASN 23 -3.126 1.177 -3.819 63 1HB ASN 23 1HB ASN 23 -4.995 -0.917 -4.880 64 2HB ASN 23 2HB ASN 23 -3.573 -1.114 -3.863 65 1HD2 ASN 23 1HD2 ASN 23 -3.715 -0.283 -1.660 66 2HD2 ASN 23 2HD2 ASN 23 -5.238 -0.339 -0.845 67 H ARG 24 H ARG 24 -2.226 2.358 -5.472 68 HA ARG 24 HA ARG 24 -1.696 0.933 -7.884 69 1HB ARG 24 1HB ARG 24 -3.645 3.191 -7.867 70 2HB ARG 24 2HB ARG 24 -2.495 3.122 -9.197 71 1HG ARG 24 1HG ARG 24 -3.560 0.525 -8.891 72 2HG ARG 24 2HG ARG 24 -4.912 1.657 -8.839 73 1HD ARG 24 1HD ARG 24 -3.612 2.704 -10.905 74 2HD ARG 24 2HD ARG 24 -3.015 1.050 -11.043 75 HE ARG 24 HE ARG 24 -5.865 1.206 -10.760 76 1HH1 ARG 24 1HH1 ARG 24 -3.221 1.358 -13.032 77 2HH1 ARG 24 2HH1 ARG 24 -4.195 0.894 -14.387 78 1HH2 ARG 24 1HH2 ARG 24 -7.147 0.595 -12.541 79 2HH2 ARG 24 2HH2 ARG 24 -6.423 0.460 -14.108 80 H TYR 25 H TYR 25 -1.919 4.376 -7.160 81 HA TYR 25 HA TYR 25 0.450 5.279 -8.131 82 1HB TYR 25 1HB TYR 25 0.285 6.920 -6.053 83 2HB TYR 25 2HB TYR 25 -0.888 6.989 -7.360 84 HD1 TYR 25 HD1 TYR 25 -1.028 4.219 -4.943 85 HD2 TYR 25 HD2 TYR 25 -2.512 8.092 -5.909 86 HE1 TYR 25 HE1 TYR 25 -2.840 3.917 -3.324 87 HE2 TYR 25 HE2 TYR 25 -4.332 7.798 -4.283 88 HH TYR 25 HH TYR 25 -4.468 6.073 -1.958 89 H LEU 26 H LEU 26 0.385 5.350 -4.640 90 HA LEU 26 HA LEU 26 3.068 4.873 -4.227 91 1HB LEU 26 1HB LEU 26 1.971 5.799 -2.427 92 2HB LEU 26 2HB LEU 26 0.577 4.747 -2.610 93 HG LEU 26 HG LEU 26 3.179 3.593 -1.669 94 1HD1 LEU 26 1HD1 LEU 26 3.021 4.383 0.448 95 2HD1 LEU 26 2HD1 LEU 26 1.265 4.542 0.377 96 3HD1 LEU 26 3HD1 LEU 26 2.293 5.756 -0.384 97 1HD2 LEU 26 1HD2 LEU 26 0.414 2.766 -1.912 98 2HD2 LEU 26 2HD2 LEU 26 1.020 2.540 -0.270 99 3HD2 LEU 26 3HD2 LEU 26 1.861 1.796 -1.631 100 H THR 27 H THR 27 0.400 2.649 -4.617 101 HA THR 27 HA THR 27 1.429 0.333 -3.546 102 HB THR 27 HB THR 27 -0.349 0.728 -5.951 103 HG1 THR 27 HG1 THR 27 -1.048 1.353 -3.783 104 1HG2 THR 27 1HG2 THR 27 0.322 -1.449 -6.330 105 2HG2 THR 27 2HG2 THR 27 -1.108 -1.651 -5.319 106 3HG2 THR 27 3HG2 THR 27 0.500 -1.803 -4.611 107 H GLU 28 H GLU 28 1.227 0.388 -7.064 108 HA GLU 28 HA GLU 28 3.268 -1.374 -7.543 109 1HB GLU 28 1HB GLU 28 2.508 0.920 -9.351 110 2HB GLU 28 2HB GLU 28 3.271 -0.588 -9.833 111 1HG GLU 28 1HG GLU 28 0.789 -1.028 -8.403 112 2HG GLU 28 2HG GLU 28 0.569 -0.028 -9.839 113 H ARG 29 H ARG 29 3.531 2.111 -7.086 114 HA ARG 29 HA ARG 29 6.217 2.328 -7.966 115 1HB ARG 29 1HB ARG 29 4.283 4.120 -7.341 116 2HB ARG 29 2HB ARG 29 5.292 4.232 -5.907 117 1HG ARG 29 1HG ARG 29 7.237 4.476 -7.604 118 2HG ARG 29 2HG ARG 29 5.954 4.894 -8.741 119 1HD ARG 29 1HD ARG 29 6.701 6.940 -7.844 120 2HD ARG 29 2HD ARG 29 5.179 6.591 -7.027 121 HE ARG 29 HE ARG 29 7.015 5.548 -5.348 122 1HH1 ARG 29 1HH1 ARG 29 6.696 8.676 -6.864 123 2HH1 ARG 29 2HH1 ARG 29 7.480 9.521 -5.572 124 1HH2 ARG 29 1HH2 ARG 29 8.046 6.659 -3.648 125 2HH2 ARG 29 2HH2 ARG 29 8.247 8.377 -3.747 126 H ARG 30 H ARG 30 4.806 2.079 -4.706 127 HA ARG 30 HA ARG 30 7.402 1.950 -3.469 128 1HB ARG 30 1HB ARG 30 5.107 2.839 -2.526 129 2HB ARG 30 2HB ARG 30 4.912 1.166 -2.024 130 1HG ARG 30 1HG ARG 30 6.820 1.257 -0.638 131 2HG ARG 30 2HG ARG 30 7.346 2.787 -1.343 132 1HD ARG 30 1HD ARG 30 4.753 2.478 0.152 133 2HD ARG 30 2HD ARG 30 6.267 2.916 0.943 134 HE ARG 30 HE ARG 30 4.623 4.595 -0.718 135 1HH1 ARG 30 1HH1 ARG 30 7.834 4.077 0.550 136 2HH1 ARG 30 2HH1 ARG 30 8.304 5.735 0.377 137 1HH2 ARG 30 1HH2 ARG 30 5.241 6.775 -0.946 138 2HH2 ARG 30 2HH2 ARG 30 6.832 7.267 -0.471 139 H ARG 31 H ARG 31 5.129 -0.336 -4.722 140 HA ARG 31 HA ARG 31 5.762 -2.593 -3.200 141 1HB ARG 31 1HB ARG 31 3.994 -2.138 -5.152 142 2HB ARG 31 2HB ARG 31 5.225 -2.956 -6.101 143 1HG ARG 31 1HG ARG 31 4.976 -4.563 -3.883 144 2HG ARG 31 2HG ARG 31 3.323 -4.025 -4.183 145 1HD ARG 31 1HD ARG 31 4.064 -4.626 -6.691 146 2HD ARG 31 2HD ARG 31 5.087 -5.755 -5.806 147 HE ARG 31 HE ARG 31 3.216 -6.946 -5.201 148 1HH1 ARG 31 1HH1 ARG 31 2.245 -3.903 -6.609 149 2HH1 ARG 31 2HH1 ARG 31 0.574 -4.345 -6.715 150 1HH2 ARG 31 1HH2 ARG 31 1.020 -7.526 -5.340 151 2HH2 ARG 31 2HH2 ARG 31 -0.122 -6.400 -5.993 152 H GLN 32 H GLN 32 7.269 -1.286 -6.114 153 HA GLN 32 HA GLN 32 9.091 -3.420 -6.495 154 1HB GLN 32 1HB GLN 32 8.357 -1.239 -7.956 155 2HB GLN 32 2HB GLN 32 9.953 -0.753 -7.402 156 1HG GLN 32 1HG GLN 32 10.698 -1.851 -9.190 157 2HG GLN 32 2HG GLN 32 10.408 -3.305 -8.237 158 1HE2 GLN 32 1HE2 GLN 32 10.015 -4.550 -10.058 159 2HE2 GLN 32 2HE2 GLN 32 8.564 -4.401 -10.986 160 H GLN 33 H GLN 33 9.337 -0.323 -4.803 161 HA GLN 33 HA GLN 33 12.091 -0.683 -4.113 162 1HB GLN 33 1HB GLN 33 10.131 1.186 -2.786 163 2HB GLN 33 2HB GLN 33 11.880 1.342 -2.863 164 1HG GLN 33 1HG GLN 33 11.269 1.298 -5.493 165 2HG GLN 33 2HG GLN 33 9.826 2.065 -4.830 166 1HE2 GLN 33 1HE2 GLN 33 10.373 4.009 -5.863 167 2HE2 GLN 33 2HE2 GLN 33 11.623 5.035 -5.255 168 H LEU 34 H LEU 34 9.012 -1.225 -2.464 169 HA LEU 34 HA LEU 34 10.081 -1.750 0.087 170 1HB LEU 34 1HB LEU 34 7.501 -2.179 -1.272 171 2HB LEU 34 2HB LEU 34 7.827 -3.243 0.083 172 HG LEU 34 HG LEU 34 8.042 -0.248 0.306 173 1HD1 LEU 34 1HD1 LEU 34 5.775 -0.623 1.541 174 2HD1 LEU 34 2HD1 LEU 34 5.650 -2.018 0.469 175 3HD1 LEU 34 3HD1 LEU 34 5.811 -0.397 -0.207 176 1HD2 LEU 34 1HD2 LEU 34 7.804 -0.703 2.691 177 2HD2 LEU 34 2HD2 LEU 34 9.190 -1.560 2.016 178 3HD2 LEU 34 3HD2 LEU 34 7.695 -2.431 2.357 179 H SER 35 H SER 35 9.434 -3.844 -2.673 180 HA SER 35 HA SER 35 9.934 -6.296 -1.403 181 1HB SER 35 1HB SER 35 10.272 -7.196 -3.661 182 2HB SER 35 2HB SER 35 8.878 -6.117 -3.625 183 HG SER 35 HG SER 35 10.299 -4.468 -4.443 184 H SER 36 H SER 36 12.098 -4.212 -3.313 185 HA SER 36 HA SER 36 14.410 -5.798 -2.894 186 1HB SER 36 1HB SER 36 14.717 -2.888 -3.422 187 2HB SER 36 2HB SER 36 15.499 -4.265 -4.198 188 HG SER 36 HG SER 36 14.043 -4.147 -5.692 189 H GLU 37 H GLU 37 13.072 -2.998 -1.206 190 HA GLU 37 HA GLU 37 15.307 -2.493 0.439 191 1HB GLU 37 1HB GLU 37 12.454 -1.691 0.408 192 2HB GLU 37 2HB GLU 37 13.289 -1.551 1.948 193 1HG GLU 37 1HG GLU 37 13.353 0.534 0.694 194 2HG GLU 37 2HG GLU 37 14.969 -0.126 0.938 195 H LEU 38 H LEU 38 12.321 -4.323 1.053 196 HA LEU 38 HA LEU 38 13.325 -5.225 3.616 197 1HB LEU 38 1HB LEU 38 10.767 -5.532 2.109 198 2HB LEU 38 2HB LEU 38 11.132 -6.665 3.396 199 HG LEU 38 HG LEU 38 11.605 -4.293 4.648 200 1HD1 LEU 38 1HD1 LEU 38 9.450 -2.998 4.063 201 2HD1 LEU 38 2HD1 LEU 38 9.554 -3.844 2.519 202 3HD1 LEU 38 3HD1 LEU 38 10.872 -2.795 3.041 203 1HD2 LEU 38 1HD2 LEU 38 9.679 -4.754 5.894 204 2HD2 LEU 38 2HD2 LEU 38 10.191 -6.327 5.283 205 3HD2 LEU 38 3HD2 LEU 38 8.850 -5.476 4.515 206 H GLY 39 H GLY 39 13.352 -6.327 0.361 207 1HA GLY 39 1HA GLY 39 14.369 -8.172 -0.569 208 2HA GLY 39 2HA GLY 39 14.969 -8.576 1.033 209 H LEU 40 H LEU 40 11.574 -8.138 0.365 210 HA LEU 40 HA LEU 40 11.164 -11.004 0.886 211 1HB LEU 40 1HB LEU 40 8.709 -10.049 1.235 212 2HB LEU 40 2HB LEU 40 9.902 -10.056 2.521 213 HG LEU 40 HG LEU 40 10.455 -7.671 1.843 214 1HD1 LEU 40 1HD1 LEU 40 8.897 -6.452 0.529 215 2HD1 LEU 40 2HD1 LEU 40 7.800 -7.831 0.443 216 3HD1 LEU 40 3HD1 LEU 40 9.349 -7.884 -0.397 217 1HD2 LEU 40 1HD2 LEU 40 9.301 -7.811 3.830 218 2HD2 LEU 40 2HD2 LEU 40 7.896 -8.574 3.083 219 3HD2 LEU 40 3HD2 LEU 40 8.191 -6.850 2.852 220 H ASN 41 H ASN 41 9.299 -12.010 -0.201 221 HA ASN 41 HA ASN 41 9.336 -11.338 -3.019 222 1HB ASN 41 1HB ASN 41 9.265 -13.721 -1.702 223 2HB ASN 41 2HB ASN 41 7.562 -13.512 -2.097 224 1HD2 ASN 41 1HD2 ASN 41 7.117 -12.925 -4.395 225 2HD2 ASN 41 2HD2 ASN 41 8.064 -13.707 -5.610 226 H GLU 42 H GLU 42 7.455 -10.970 -4.275 227 HA GLU 42 HA GLU 42 5.663 -9.099 -3.304 228 1HB GLU 42 1HB GLU 42 6.107 -9.584 -5.710 229 2HB GLU 42 2HB GLU 42 5.171 -11.066 -5.551 230 1HG GLU 42 1HG GLU 42 3.558 -8.965 -4.585 231 2HG GLU 42 2HG GLU 42 4.271 -8.417 -6.101 232 H ALA 43 H ALA 43 5.544 -12.579 -3.185 233 HA ALA 43 HA ALA 43 2.817 -12.975 -2.666 234 1HB ALA 43 1HB ALA 43 3.395 -15.121 -1.874 235 2HB ALA 43 2HB ALA 43 5.007 -14.595 -1.387 236 3HB ALA 43 3HB ALA 43 4.605 -14.739 -3.099 237 H GLN 44 H GLN 44 5.478 -11.990 -0.631 238 HA GLN 44 HA GLN 44 3.957 -12.054 1.825 239 1HB GLN 44 1HB GLN 44 6.674 -11.005 1.054 240 2HB GLN 44 2HB GLN 44 5.998 -10.735 2.654 241 1HG GLN 44 1HG GLN 44 6.414 -13.453 1.434 242 2HG GLN 44 2HG GLN 44 7.563 -12.657 2.511 243 1HE2 GLN 44 1HE2 GLN 44 6.053 -11.589 4.432 244 2HE2 GLN 44 2HE2 GLN 44 5.171 -12.806 5.284 245 H ILE 45 H ILE 45 4.735 -9.869 -0.723 246 HA ILE 45 HA ILE 45 4.145 -7.414 0.523 247 HB ILE 45 HB ILE 45 4.144 -8.260 -2.373 248 1HG1 ILE 45 1HG1 ILE 45 6.309 -8.229 -1.134 249 2HG1 ILE 45 2HG1 ILE 45 6.257 -7.086 -2.475 250 1HG2 ILE 45 1HG2 ILE 45 2.597 -6.307 -1.906 251 2HG2 ILE 45 2HG2 ILE 45 3.883 -6.030 -3.077 252 3HG2 ILE 45 3HG2 ILE 45 4.040 -5.413 -1.435 253 1HD1 ILE 45 1HD1 ILE 45 6.144 -6.535 0.456 254 2HD1 ILE 45 2HD1 ILE 45 5.595 -5.350 -0.727 255 3HD1 ILE 45 3HD1 ILE 45 7.265 -5.916 -0.753 256 H LYS 46 H LYS 46 2.132 -9.738 -1.253 257 HA LYS 46 HA LYS 46 -0.189 -8.191 -1.472 258 1HB LYS 46 1HB LYS 46 0.092 -10.334 -2.631 259 2HB LYS 46 2HB LYS 46 0.064 -11.183 -1.092 260 1HG LYS 46 1HG LYS 46 -2.073 -11.449 -2.051 261 2HG LYS 46 2HG LYS 46 -2.251 -10.271 -0.748 262 1HD LYS 46 1HD LYS 46 -3.145 -8.846 -2.202 263 2HD LYS 46 2HD LYS 46 -1.613 -8.813 -3.077 264 1HE LYS 46 1HE LYS 46 -3.307 -11.157 -3.606 265 2HE LYS 46 2HE LYS 46 -3.978 -9.615 -4.138 266 1HZ LYS 46 1HZ LYS 46 -2.752 -10.277 -5.950 267 2HZ LYS 46 2HZ LYS 46 -1.519 -10.968 -5.022 268 3HZ LYS 46 3HZ LYS 46 -1.639 -9.286 -5.148 269 H ILE 47 H ILE 47 0.827 -10.455 1.046 270 HA ILE 47 HA ILE 47 -1.383 -9.992 2.785 271 HB ILE 47 HB ILE 47 1.223 -11.396 2.929 272 1HG1 ILE 47 1HG1 ILE 47 -1.399 -12.224 4.151 273 2HG1 ILE 47 2HG1 ILE 47 -1.124 -12.347 2.416 274 1HG2 ILE 47 1HG2 ILE 47 0.979 -11.742 5.401 275 2HG2 ILE 47 2HG2 ILE 47 -0.170 -10.404 5.407 276 3HG2 ILE 47 3HG2 ILE 47 1.504 -10.128 4.920 277 1HD1 ILE 47 1HD1 ILE 47 -0.221 -14.057 4.566 278 2HD1 ILE 47 2HD1 ILE 47 1.103 -13.546 3.518 279 3HD1 ILE 47 3HD1 ILE 47 -0.301 -14.363 2.832 280 H TRP 48 H TRP 48 1.875 -8.749 2.516 281 HA TRP 48 HA TRP 48 2.028 -7.210 4.833 282 1HB TRP 48 1HB TRP 48 3.933 -7.772 3.392 283 2HB TRP 48 2HB TRP 48 3.260 -6.799 2.099 284 HD1 TRP 48 HD1 TRP 48 5.668 -6.648 4.873 285 HE1 TRP 48 HE1 TRP 48 6.503 -4.241 5.182 286 HE3 TRP 48 HE3 TRP 48 2.216 -4.166 2.054 287 HZ2 TRP 48 HZ2 TRP 48 5.813 -1.649 4.378 288 HZ3 TRP 48 HZ3 TRP 48 2.369 -1.726 1.878 289 HH2 TRP 48 HH2 TRP 48 4.139 -0.498 3.006 290 H PHE 49 H PHE 49 1.066 -6.279 1.554 291 HA PHE 49 HA PHE 49 0.339 -3.631 2.301 292 1HB PHE 49 1HB PHE 49 0.093 -5.273 -0.168 293 2HB PHE 49 2HB PHE 49 -0.933 -3.841 -0.016 294 HD1 PHE 49 HD1 PHE 49 -0.001 -1.644 0.040 295 HD2 PHE 49 HD2 PHE 49 2.489 -5.070 -0.226 296 HE1 PHE 49 HE1 PHE 49 1.933 -0.194 -0.484 297 HE2 PHE 49 HE2 PHE 49 4.425 -3.644 -0.756 298 HZ PHE 49 HZ PHE 49 4.153 -1.208 -0.862 299 H GLN 50 H GLN 50 -1.449 -6.598 1.778 300 HA GLN 50 HA GLN 50 -3.998 -5.470 2.136 301 1HB GLN 50 1HB GLN 50 -3.829 -7.590 1.053 302 2HB GLN 50 2HB GLN 50 -2.956 -8.288 2.408 303 1HG GLN 50 1HG GLN 50 -4.822 -8.794 3.505 304 2HG GLN 50 2HG GLN 50 -5.581 -7.250 3.120 305 1HE2 GLN 50 1HE2 GLN 50 -4.502 -10.129 1.341 306 2HE2 GLN 50 2HE2 GLN 50 -5.953 -10.315 0.421 307 H ASN 51 H ASN 51 -1.559 -6.638 4.360 308 HA ASN 51 HA ASN 51 -3.300 -6.733 6.637 309 1HB ASN 51 1HB ASN 51 -1.204 -8.077 6.440 310 2HB ASN 51 2HB ASN 51 -0.278 -6.586 6.581 311 1HD2 ASN 51 1HD2 ASN 51 -0.691 -9.093 8.275 312 2HD2 ASN 51 2HD2 ASN 51 -0.967 -8.468 9.860 313 H LYS 52 H LYS 52 -1.250 -4.338 5.135 314 HA LYS 52 HA LYS 52 -1.189 -2.521 7.318 315 1HB LYS 52 1HB LYS 52 0.032 -2.697 4.825 316 2HB LYS 52 2HB LYS 52 -0.980 -1.265 4.700 317 1HG LYS 52 1HG LYS 52 0.092 -0.255 6.580 318 2HG LYS 52 2HG LYS 52 0.976 -1.741 6.934 319 1HD LYS 52 1HD LYS 52 2.626 -0.736 5.771 320 2HD LYS 52 2HD LYS 52 1.724 -1.316 4.370 321 1HE LYS 52 1HE LYS 52 1.790 0.842 3.739 322 2HE LYS 52 2HE LYS 52 0.443 1.014 4.863 323 1HZ LYS 52 1HZ LYS 52 2.126 1.562 6.596 324 2HZ LYS 52 2HZ LYS 52 2.016 2.701 5.351 325 3HZ LYS 52 3HZ LYS 52 3.303 1.605 5.381 326 H ARG 53 H ARG 53 -3.245 -2.837 4.455 327 HA ARG 53 HA ARG 53 -4.908 -0.617 5.373 328 1HB ARG 53 1HB ARG 53 -4.110 -1.118 2.909 329 2HB ARG 53 2HB ARG 53 -5.509 -2.183 2.904 330 1HG ARG 53 1HG ARG 53 -6.644 -0.383 2.243 331 2HG ARG 53 2HG ARG 53 -6.556 0.118 3.933 332 1HD ARG 53 1HD ARG 53 -4.622 0.876 1.746 333 2HD ARG 53 2HD ARG 53 -5.857 1.920 2.447 334 HE ARG 53 HE ARG 53 -4.006 0.856 4.373 335 1HH1 ARG 53 1HH1 ARG 53 -4.605 3.433 2.097 336 2HH1 ARG 53 2HH1 ARG 53 -3.551 4.551 2.894 337 1HH2 ARG 53 1HH2 ARG 53 -2.619 2.326 5.423 338 2HH2 ARG 53 2HH2 ARG 53 -2.422 3.923 4.783 339 H ALA 54 H ALA 54 -4.749 -3.534 6.451 340 HA ALA 54 HA ALA 54 -7.435 -4.498 6.009 341 1HB ALA 54 1HB ALA 54 -5.043 -5.478 7.486 342 2HB ALA 54 2HB ALA 54 -6.028 -6.287 6.267 343 3HB ALA 54 3HB ALA 54 -6.628 -6.119 7.917 344 H LYS 55 H LYS 55 -5.692 -2.699 8.445 345 HA LYS 55 HA LYS 55 -8.101 -2.658 10.134 346 1HB LYS 55 1HB LYS 55 -5.235 -2.001 10.840 347 2HB LYS 55 2HB LYS 55 -6.598 -1.892 11.945 348 1HG LYS 55 1HG LYS 55 -6.915 -4.418 11.243 349 2HG LYS 55 2HG LYS 55 -5.191 -4.282 10.890 350 1HD LYS 55 1HD LYS 55 -5.300 -5.019 13.120 351 2HD LYS 55 2HD LYS 55 -4.959 -3.291 13.228 352 1HE LYS 55 1HE LYS 55 -6.683 -3.220 14.651 353 2HE LYS 55 2HE LYS 55 -7.695 -3.345 13.213 354 1HZ LYS 55 1HZ LYS 55 -7.238 -5.899 13.630 355 2HZ LYS 55 2HZ LYS 55 -8.512 -5.083 14.384 356 3HZ LYS 55 3HZ LYS 55 -7.072 -5.362 15.226 357 H ILE 56 H ILE 56 -5.792 -0.685 8.401 358 HA ILE 56 HA ILE 56 -5.830 1.496 7.747 359 HB ILE 56 HB ILE 56 -8.692 1.571 8.697 360 1HG1 ILE 56 1HG1 ILE 56 -7.612 0.723 5.999 361 2HG1 ILE 56 2HG1 ILE 56 -8.339 -0.349 7.192 362 1HG2 ILE 56 1HG2 ILE 56 -7.165 3.620 7.855 363 2HG2 ILE 56 2HG2 ILE 56 -8.908 3.530 7.604 364 3HG2 ILE 56 3HG2 ILE 56 -7.805 3.056 6.312 365 1HD1 ILE 56 1HD1 ILE 56 -10.235 1.631 6.808 366 2HD1 ILE 56 2HD1 ILE 56 -10.263 -0.005 6.152 367 3HD1 ILE 56 3HD1 ILE 56 -9.590 1.315 5.197 368 H LYS 57 H LYS 57 -4.418 2.391 9.188 369 HA LYS 57 HA LYS 57 -5.625 3.714 11.522 370 1HB LYS 57 1HB LYS 57 -3.473 1.771 11.454 371 2HB LYS 57 2HB LYS 57 -2.943 3.282 12.180 372 1HG LYS 57 1HG LYS 57 -5.459 2.727 13.291 373 2HG LYS 57 2HG LYS 57 -4.567 1.204 13.292 374 1HD LYS 57 1HD LYS 57 -3.030 3.559 14.157 375 2HD LYS 57 2HD LYS 57 -4.363 3.101 15.219 376 1HE LYS 57 1HE LYS 57 -2.155 1.275 14.274 377 2HE LYS 57 2HE LYS 57 -2.260 2.019 15.869 378 1HZ LYS 57 1HZ LYS 57 -4.581 0.839 15.857 379 2HZ LYS 57 2HZ LYS 57 -3.181 -0.006 16.289 380 3HZ LYS 57 3HZ LYS 57 -3.827 -0.181 14.736 381 H LYS 58 H LYS 58 -5.581 5.824 11.140 382 HA LYS 58 HA LYS 58 -3.075 7.095 10.419 383 1HB LYS 58 1HB LYS 58 -4.914 6.538 8.410 384 2HB LYS 58 2HB LYS 58 -5.221 8.223 8.806 385 1HG LYS 58 1HG LYS 58 -3.609 8.559 7.269 386 2HG LYS 58 2HG LYS 58 -2.553 8.298 8.659 387 1HD LYS 58 1HD LYS 58 -2.607 5.824 8.004 388 2HD LYS 58 2HD LYS 58 -3.278 6.375 6.468 389 1HE LYS 58 1HE LYS 58 -0.955 6.203 6.118 390 2HE LYS 58 2HE LYS 58 -1.279 7.925 6.311 391 1HZ LYS 58 1HZ LYS 58 -0.238 6.112 8.422 392 2HZ LYS 58 2HZ LYS 58 -0.551 7.763 8.613 393 3HZ LYS 58 3HZ LYS 58 0.670 7.251 7.561 394 H SER 59 H SER 59 -2.848 9.060 11.340 395 HA SER 59 HA SER 59 -5.238 10.349 12.465 396 1HB SER 59 1HB SER 59 -3.530 8.986 14.058 397 2HB SER 59 2HB SER 59 -2.746 10.566 14.053 398 HG SER 59 HG SER 59 -4.943 11.382 14.571 Start of MODEL 23 1 1H ALA 16 1H ALA 16 -20.202 5.883 -7.754 2 2H ALA 16 2H ALA 16 -19.968 7.067 -6.534 3 3H ALA 16 3H ALA 16 -18.948 5.688 -6.603 4 HA ALA 16 HA ALA 16 -17.876 6.397 -8.467 5 1HB ALA 16 1HB ALA 16 -20.351 7.960 -8.873 6 2HB ALA 16 2HB ALA 16 -19.361 7.076 -10.034 7 3HB ALA 16 3HB ALA 16 -18.854 8.670 -9.476 8 H LYS 17 H LYS 17 -17.963 7.102 -5.586 9 HA LYS 17 HA LYS 17 -17.082 9.859 -5.481 10 1HB LYS 17 1HB LYS 17 -17.206 7.717 -3.351 11 2HB LYS 17 2HB LYS 17 -16.745 9.389 -3.060 12 1HG LYS 17 1HG LYS 17 -18.962 10.119 -3.815 13 2HG LYS 17 2HG LYS 17 -19.420 8.432 -4.060 14 1HD LYS 17 1HD LYS 17 -19.689 8.050 -1.850 15 2HD LYS 17 2HD LYS 17 -18.327 9.079 -1.402 16 1HE LYS 17 1HE LYS 17 -21.012 10.102 -2.315 17 2HE LYS 17 2HE LYS 17 -20.535 9.927 -0.627 18 1HZ LYS 17 1HZ LYS 17 -19.203 11.723 -0.726 19 2HZ LYS 17 2HZ LYS 17 -20.210 12.166 -2.011 20 3HZ LYS 17 3HZ LYS 17 -18.716 11.435 -2.320 21 H ARG 18 H ARG 18 -15.163 10.115 -6.509 22 HA ARG 18 HA ARG 18 -13.044 8.286 -6.552 23 1HB ARG 18 1HB ARG 18 -11.655 10.336 -7.149 24 2HB ARG 18 2HB ARG 18 -13.025 9.981 -8.192 25 1HG ARG 18 1HG ARG 18 -13.767 12.038 -7.877 26 2HG ARG 18 2HG ARG 18 -13.976 11.685 -6.161 27 1HD ARG 18 1HD ARG 18 -11.574 12.284 -5.826 28 2HD ARG 18 2HD ARG 18 -11.522 12.801 -7.510 29 HE ARG 18 HE ARG 18 -12.682 14.214 -5.301 30 1HH1 ARG 18 1HH1 ARG 18 -12.794 13.758 -8.759 31 2HH1 ARG 18 2HH1 ARG 18 -13.479 15.317 -9.068 32 1HH2 ARG 18 1HH2 ARG 18 -13.583 16.266 -5.705 33 2HH2 ARG 18 2HH2 ARG 18 -13.927 16.741 -7.335 34 H GLU 19 H GLU 19 -10.973 8.384 -5.504 35 HA GLU 19 HA GLU 19 -10.734 9.963 -3.086 36 1HB GLU 19 1HB GLU 19 -12.021 7.761 -2.599 37 2HB GLU 19 2HB GLU 19 -10.453 6.988 -2.791 38 1HG GLU 19 1HG GLU 19 -9.631 7.849 -0.861 39 2HG GLU 19 2HG GLU 19 -10.602 9.317 -0.971 40 H PHE 20 H PHE 20 -9.059 10.706 -4.654 41 HA PHE 20 HA PHE 20 -6.936 10.780 -5.490 42 1HB PHE 20 1HB PHE 20 -5.192 10.347 -3.834 43 2HB PHE 20 2HB PHE 20 -6.553 11.185 -3.098 44 HD1 PHE 20 HD1 PHE 20 -5.214 7.742 -3.617 45 HD2 PHE 20 HD2 PHE 20 -7.433 10.388 -1.127 46 HE1 PHE 20 HE1 PHE 20 -5.359 5.994 -1.893 47 HE2 PHE 20 HE2 PHE 20 -7.580 8.643 0.601 48 HZ PHE 20 HZ PHE 20 -6.543 6.443 0.219 49 H ASN 21 H ASN 21 -4.718 9.273 -5.381 50 HA ASN 21 HA ASN 21 -5.188 7.244 -7.245 51 1HB ASN 21 1HB ASN 21 -2.791 7.637 -5.450 52 2HB ASN 21 2HB ASN 21 -2.839 6.615 -6.882 53 1HD2 ASN 21 1HD2 ASN 21 -2.767 7.535 -8.897 54 2HD2 ASN 21 2HD2 ASN 21 -2.417 9.207 -9.157 55 H GLU 22 H GLU 22 -6.550 5.631 -6.692 56 HA GLU 22 HA GLU 22 -6.438 4.325 -4.136 57 1HB GLU 22 1HB GLU 22 -8.076 4.100 -6.599 58 2HB GLU 22 2HB GLU 22 -7.942 2.649 -5.618 59 1HG GLU 22 1HG GLU 22 -9.554 3.427 -4.328 60 2HG GLU 22 2HG GLU 22 -8.478 4.730 -3.826 61 H ASN 23 H ASN 23 -4.345 3.515 -3.954 62 HA ASN 23 HA ASN 23 -2.693 1.961 -4.121 63 1HB ASN 23 1HB ASN 23 -4.657 0.350 -5.735 64 2HB ASN 23 2HB ASN 23 -3.240 -0.245 -4.885 65 1HD2 ASN 23 1HD2 ASN 23 -3.294 0.569 -2.465 66 2HD2 ASN 23 2HD2 ASN 23 -4.770 0.211 -1.642 67 H ARG 24 H ARG 24 -1.781 3.631 -5.492 68 HA ARG 24 HA ARG 24 -0.831 2.538 -7.984 69 1HB ARG 24 1HB ARG 24 -2.166 5.240 -8.097 70 2HB ARG 24 2HB ARG 24 -1.604 4.252 -9.440 71 1HG ARG 24 1HG ARG 24 -3.376 2.614 -8.928 72 2HG ARG 24 2HG ARG 24 -3.958 3.684 -7.650 73 1HD ARG 24 1HD ARG 24 -4.848 5.173 -9.116 74 2HD ARG 24 2HD ARG 24 -3.617 4.868 -10.341 75 HE ARG 24 HE ARG 24 -5.259 2.597 -10.067 76 1HH1 ARG 24 1HH1 ARG 24 -5.352 5.861 -11.299 77 2HH1 ARG 24 2HH1 ARG 24 -6.552 5.508 -12.496 78 1HH2 ARG 24 1HH2 ARG 24 -6.836 2.130 -11.639 79 2HH2 ARG 24 2HH2 ARG 24 -7.396 3.389 -12.689 80 H TYR 25 H TYR 25 -1.158 5.717 -6.469 81 HA TYR 25 HA TYR 25 1.328 6.757 -7.107 82 1HB TYR 25 1HB TYR 25 0.867 8.438 -5.471 83 2HB TYR 25 2HB TYR 25 -0.675 7.974 -6.179 84 HD1 TYR 25 HD1 TYR 25 -0.871 5.317 -4.567 85 HD2 TYR 25 HD2 TYR 25 -0.074 9.335 -3.437 86 HE1 TYR 25 HE1 TYR 25 -1.739 4.832 -2.338 87 HE2 TYR 25 HE2 TYR 25 -0.953 8.871 -1.186 88 HH TYR 25 HH TYR 25 -2.781 6.205 -0.435 89 H LEU 26 H LEU 26 0.566 4.343 -4.816 90 HA LEU 26 HA LEU 26 3.295 4.456 -3.764 91 1HB LEU 26 1HB LEU 26 2.587 4.930 -1.708 92 2HB LEU 26 2HB LEU 26 0.976 5.153 -2.366 93 HG LEU 26 HG LEU 26 0.728 2.588 -1.997 94 1HD1 LEU 26 1HD1 LEU 26 3.108 2.204 -1.488 95 2HD1 LEU 26 2HD1 LEU 26 2.042 1.689 -0.181 96 3HD1 LEU 26 3HD1 LEU 26 2.939 3.201 -0.044 97 1HD2 LEU 26 1HD2 LEU 26 -0.454 3.064 -0.123 98 2HD2 LEU 26 2HD2 LEU 26 -0.156 4.716 -0.663 99 3HD2 LEU 26 3HD2 LEU 26 0.852 4.005 0.598 100 H THR 27 H THR 27 0.372 2.565 -4.293 101 HA THR 27 HA THR 27 1.117 0.103 -3.412 102 HB THR 27 HB THR 27 -0.576 0.989 -5.715 103 HG1 THR 27 HG1 THR 27 -1.155 0.973 -3.366 104 1HG2 THR 27 1HG2 THR 27 0.249 -1.811 -5.149 105 2HG2 THR 27 2HG2 THR 27 -0.066 -1.016 -6.691 106 3HG2 THR 27 3HG2 THR 27 -1.409 -1.479 -5.647 107 H GLU 28 H GLU 28 1.157 0.522 -6.920 108 HA GLU 28 HA GLU 28 3.136 -1.413 -7.346 109 1HB GLU 28 1HB GLU 28 2.288 0.831 -9.181 110 2HB GLU 28 2HB GLU 28 3.162 -0.617 -9.662 111 1HG GLU 28 1HG GLU 28 1.067 -1.793 -8.542 112 2HG GLU 28 2HG GLU 28 0.306 -0.261 -8.969 113 H ARG 29 H ARG 29 3.387 2.083 -6.973 114 HA ARG 29 HA ARG 29 6.047 2.319 -7.901 115 1HB ARG 29 1HB ARG 29 4.504 4.227 -7.717 116 2HB ARG 29 2HB ARG 29 4.547 4.089 -5.965 117 1HG ARG 29 1HG ARG 29 5.991 5.875 -6.671 118 2HG ARG 29 2HG ARG 29 6.966 4.558 -6.015 119 1HD ARG 29 1HD ARG 29 8.026 5.369 -8.007 120 2HD ARG 29 2HD ARG 29 7.360 3.770 -8.338 121 HE ARG 29 HE ARG 29 5.411 5.538 -9.113 122 1HH1 ARG 29 1HH1 ARG 29 8.754 4.986 -9.949 123 2HH1 ARG 29 2HH1 ARG 29 8.571 5.553 -11.575 124 1HH2 ARG 29 1HH2 ARG 29 5.168 6.284 -11.252 125 2HH2 ARG 29 2HH2 ARG 29 6.536 6.290 -12.315 126 H ARG 30 H ARG 30 4.729 2.081 -4.604 127 HA ARG 30 HA ARG 30 7.364 1.989 -3.444 128 1HB ARG 30 1HB ARG 30 4.995 2.786 -2.460 129 2HB ARG 30 2HB ARG 30 5.019 1.140 -1.842 130 1HG ARG 30 1HG ARG 30 7.319 1.668 -0.921 131 2HG ARG 30 2HG ARG 30 6.969 3.356 -1.298 132 1HD ARG 30 1HD ARG 30 4.748 2.200 0.095 133 2HD ARG 30 2HD ARG 30 6.232 1.898 0.998 134 HE ARG 30 HE ARG 30 6.169 4.589 0.186 135 1HH1 ARG 30 1HH1 ARG 30 4.580 2.413 2.404 136 2HH1 ARG 30 2HH1 ARG 30 4.189 3.659 3.542 137 1HH2 ARG 30 1HH2 ARG 30 5.657 6.228 1.682 138 2HH2 ARG 30 2HH2 ARG 30 4.799 5.825 3.132 139 H ARG 31 H ARG 31 5.073 -0.312 -4.619 140 HA ARG 31 HA ARG 31 5.760 -2.569 -3.126 141 1HB ARG 31 1HB ARG 31 4.492 -2.058 -5.751 142 2HB ARG 31 2HB ARG 31 5.168 -3.665 -5.525 143 1HG ARG 31 1HG ARG 31 3.775 -4.068 -3.635 144 2HG ARG 31 2HG ARG 31 3.230 -2.389 -3.610 145 1HD ARG 31 1HD ARG 31 1.629 -4.075 -4.615 146 2HD ARG 31 2HD ARG 31 1.990 -2.657 -5.597 147 HE ARG 31 HE ARG 31 3.675 -4.922 -6.152 148 1HH1 ARG 31 1HH1 ARG 31 0.653 -3.343 -6.902 149 2HH1 ARG 31 2HH1 ARG 31 0.514 -4.078 -8.464 150 1HH2 ARG 31 1HH2 ARG 31 3.493 -5.888 -8.206 151 2HH2 ARG 31 2HH2 ARG 31 2.125 -5.523 -9.204 152 H GLN 32 H GLN 32 7.232 -1.189 -6.016 153 HA GLN 32 HA GLN 32 9.028 -3.308 -6.525 154 1HB GLN 32 1HB GLN 32 8.387 -0.833 -7.700 155 2HB GLN 32 2HB GLN 32 10.107 -0.762 -7.345 156 1HG GLN 32 1HG GLN 32 9.165 -3.250 -8.603 157 2HG GLN 32 2HG GLN 32 9.070 -1.798 -9.598 158 1HE2 GLN 32 1HE2 GLN 32 11.001 -0.628 -10.015 159 2HE2 GLN 32 2HE2 GLN 32 12.539 -1.411 -9.945 160 H GLN 33 H GLN 33 9.429 -0.248 -4.761 161 HA GLN 33 HA GLN 33 12.143 -0.808 -4.049 162 1HB GLN 33 1HB GLN 33 10.188 1.242 -2.998 163 2HB GLN 33 2HB GLN 33 11.889 1.175 -2.556 164 1HG GLN 33 1HG GLN 33 12.582 1.728 -4.738 165 2HG GLN 33 2HG GLN 33 10.972 1.444 -5.402 166 1HE2 GLN 33 1HE2 GLN 33 12.836 3.819 -5.307 167 2HE2 GLN 33 2HE2 GLN 33 11.846 5.111 -4.727 168 H LEU 34 H LEU 34 9.018 -1.176 -2.460 169 HA LEU 34 HA LEU 34 9.994 -1.757 0.117 170 1HB LEU 34 1HB LEU 34 7.429 -2.211 -1.323 171 2HB LEU 34 2HB LEU 34 7.702 -3.078 0.177 172 HG LEU 34 HG LEU 34 7.823 -0.076 -0.107 173 1HD1 LEU 34 1HD1 LEU 34 5.595 -0.232 -0.190 174 2HD1 LEU 34 2HD1 LEU 34 5.712 -0.636 1.523 175 3HD1 LEU 34 3HD1 LEU 34 5.595 -1.920 0.320 176 1HD2 LEU 34 1HD2 LEU 34 7.980 -1.917 2.271 177 2HD2 LEU 34 2HD2 LEU 34 7.711 -0.178 2.388 178 3HD2 LEU 34 3HD2 LEU 34 9.211 -0.793 1.695 179 H SER 35 H SER 35 9.380 -3.784 -2.692 180 HA SER 35 HA SER 35 9.716 -6.270 -1.400 181 1HB SER 35 1HB SER 35 9.645 -5.304 -4.197 182 2HB SER 35 2HB SER 35 10.482 -6.832 -3.931 183 HG SER 35 HG SER 35 7.787 -6.191 -3.610 184 H SER 36 H SER 36 11.983 -4.356 -3.372 185 HA SER 36 HA SER 36 14.211 -6.036 -2.863 186 1HB SER 36 1HB SER 36 15.538 -4.126 -3.798 187 2HB SER 36 2HB SER 36 14.208 -4.649 -4.832 188 HG SER 36 HG SER 36 14.512 -2.285 -4.390 189 H GLU 37 H GLU 37 13.004 -3.093 -1.341 190 HA GLU 37 HA GLU 37 15.247 -2.589 0.288 191 1HB GLU 37 1HB GLU 37 13.467 -0.936 -0.205 192 2HB GLU 37 2HB GLU 37 12.364 -1.852 0.812 193 1HG GLU 37 1HG GLU 37 14.099 -1.504 2.665 194 2HG GLU 37 2HG GLU 37 14.771 -0.262 1.609 195 H LEU 38 H LEU 38 12.233 -4.359 0.939 196 HA LEU 38 HA LEU 38 13.136 -5.058 3.601 197 1HB LEU 38 1HB LEU 38 10.660 -5.681 2.016 198 2HB LEU 38 2HB LEU 38 10.987 -6.456 3.555 199 HG LEU 38 HG LEU 38 11.224 -4.020 4.448 200 1HD1 LEU 38 1HD1 LEU 38 10.001 -2.352 3.292 201 2HD1 LEU 38 2HD1 LEU 38 9.411 -3.512 2.102 202 3HD1 LEU 38 3HD1 LEU 38 11.116 -3.063 2.126 203 1HD2 LEU 38 1HD2 LEU 38 8.949 -4.040 5.103 204 2HD2 LEU 38 2HD2 LEU 38 9.441 -5.728 4.960 205 3HD2 LEU 38 3HD2 LEU 38 8.476 -4.981 3.687 206 H GLY 39 H GLY 39 13.308 -6.409 0.444 207 1HA GLY 39 1HA GLY 39 14.491 -8.268 -0.255 208 2HA GLY 39 2HA GLY 39 14.861 -8.618 1.426 209 H LEU 40 H LEU 40 11.539 -8.168 0.706 210 HA LEU 40 HA LEU 40 11.118 -11.059 0.997 211 1HB LEU 40 1HB LEU 40 8.640 -10.091 1.271 212 2HB LEU 40 2HB LEU 40 9.761 -10.237 2.612 213 HG LEU 40 HG LEU 40 10.352 -7.864 2.373 214 1HD1 LEU 40 1HD1 LEU 40 8.892 -8.175 -0.114 215 2HD1 LEU 40 2HD1 LEU 40 10.032 -6.924 0.383 216 3HD1 LEU 40 3HD1 LEU 40 8.331 -6.791 0.825 217 1HD2 LEU 40 1HD2 LEU 40 8.738 -8.004 3.970 218 2HD2 LEU 40 2HD2 LEU 40 7.580 -8.778 2.889 219 3HD2 LEU 40 3HD2 LEU 40 7.859 -7.040 2.783 220 H ASN 41 H ASN 41 9.318 -12.020 -0.220 221 HA ASN 41 HA ASN 41 9.452 -11.175 -2.991 222 1HB ASN 41 1HB ASN 41 9.263 -13.649 -1.710 223 2HB ASN 41 2HB ASN 41 7.690 -13.426 -2.469 224 1HD2 ASN 41 1HD2 ASN 41 7.796 -12.669 -4.776 225 2HD2 ASN 41 2HD2 ASN 41 8.990 -13.406 -5.782 226 H GLU 42 H GLU 42 7.590 -10.834 -4.302 227 HA GLU 42 HA GLU 42 5.725 -9.045 -3.353 228 1HB GLU 42 1HB GLU 42 5.356 -11.008 -5.626 229 2HB GLU 42 2HB GLU 42 4.443 -9.522 -5.395 230 1HG GLU 42 1HG GLU 42 5.937 -8.521 -6.690 231 2HG GLU 42 2HG GLU 42 7.089 -8.701 -5.368 232 H ALA 43 H ALA 43 5.698 -12.522 -3.252 233 HA ALA 43 HA ALA 43 2.976 -12.998 -2.772 234 1HB ALA 43 1HB ALA 43 4.890 -14.669 -1.267 235 2HB ALA 43 2HB ALA 43 5.138 -14.594 -3.012 236 3HB ALA 43 3HB ALA 43 3.591 -15.140 -2.363 237 H GLN 44 H GLN 44 5.587 -11.971 -0.690 238 HA GLN 44 HA GLN 44 4.025 -12.081 1.738 239 1HB GLN 44 1HB GLN 44 6.720 -10.899 1.058 240 2HB GLN 44 2HB GLN 44 6.011 -10.813 2.665 241 1HG GLN 44 1HG GLN 44 6.427 -13.432 1.268 242 2HG GLN 44 2HG GLN 44 7.709 -12.660 2.201 243 1HE2 GLN 44 1HE2 GLN 44 6.496 -11.676 4.351 244 2HE2 GLN 44 2HE2 GLN 44 5.737 -12.922 5.274 245 H ILE 45 H ILE 45 4.804 -9.863 -0.782 246 HA ILE 45 HA ILE 45 4.156 -7.427 0.472 247 HB ILE 45 HB ILE 45 4.176 -8.243 -2.433 248 1HG1 ILE 45 1HG1 ILE 45 6.335 -8.230 -1.155 249 2HG1 ILE 45 2HG1 ILE 45 6.300 -7.122 -2.524 250 1HG2 ILE 45 1HG2 ILE 45 4.034 -5.423 -1.410 251 2HG2 ILE 45 2HG2 ILE 45 2.632 -6.316 -1.994 252 3HG2 ILE 45 3HG2 ILE 45 3.973 -5.968 -3.083 253 1HD1 ILE 45 1HD1 ILE 45 6.404 -6.555 0.375 254 2HD1 ILE 45 2HD1 ILE 45 5.531 -5.419 -0.651 255 3HD1 ILE 45 3HD1 ILE 45 7.229 -5.771 -0.970 256 H LYS 46 H LYS 46 2.215 -9.779 -1.339 257 HA LYS 46 HA LYS 46 -0.136 -8.293 -1.600 258 1HB LYS 46 1HB LYS 46 0.527 -10.675 -2.489 259 2HB LYS 46 2HB LYS 46 -0.234 -11.229 -1.004 260 1HG LYS 46 1HG LYS 46 -1.913 -9.322 -2.359 261 2HG LYS 46 2HG LYS 46 -1.473 -10.652 -3.432 262 1HD LYS 46 1HD LYS 46 -2.089 -12.121 -1.344 263 2HD LYS 46 2HD LYS 46 -3.022 -10.697 -0.882 264 1HE LYS 46 1HE LYS 46 -4.646 -11.352 -2.246 265 2HE LYS 46 2HE LYS 46 -3.548 -11.166 -3.612 266 1HZ LYS 46 1HZ LYS 46 -4.096 -13.350 -3.820 267 2HZ LYS 46 2HZ LYS 46 -4.315 -13.589 -2.160 268 3HZ LYS 46 3HZ LYS 46 -2.753 -13.515 -2.803 269 H ILE 47 H ILE 47 0.871 -10.532 0.943 270 HA ILE 47 HA ILE 47 -1.365 -10.070 2.650 271 HB ILE 47 HB ILE 47 1.223 -11.492 2.818 272 1HG1 ILE 47 1HG1 ILE 47 -0.601 -12.947 4.221 273 2HG1 ILE 47 2HG1 ILE 47 -1.659 -12.023 3.158 274 1HG2 ILE 47 1HG2 ILE 47 1.534 -10.211 4.795 275 2HG2 ILE 47 2HG2 ILE 47 0.980 -11.810 5.297 276 3HG2 ILE 47 3HG2 ILE 47 -0.143 -10.451 5.290 277 1HD1 ILE 47 1HD1 ILE 47 0.449 -14.016 2.445 278 2HD1 ILE 47 2HD1 ILE 47 -0.108 -12.820 1.274 279 3HD1 ILE 47 3HD1 ILE 47 -1.250 -13.968 1.973 280 H TRP 48 H TRP 48 1.912 -8.852 2.467 281 HA TRP 48 HA TRP 48 2.063 -7.322 4.772 282 1HB TRP 48 1HB TRP 48 3.958 -7.841 3.308 283 2HB TRP 48 2HB TRP 48 3.258 -6.868 2.029 284 HD1 TRP 48 HD1 TRP 48 5.697 -6.712 4.771 285 HE1 TRP 48 HE1 TRP 48 6.510 -4.298 5.091 286 HE3 TRP 48 HE3 TRP 48 2.180 -4.241 2.021 287 HZ2 TRP 48 HZ2 TRP 48 5.781 -1.708 4.322 288 HZ3 TRP 48 HZ3 TRP 48 2.306 -1.797 1.867 289 HH2 TRP 48 HH2 TRP 48 4.077 -0.560 2.984 290 H PHE 49 H PHE 49 1.038 -6.374 1.525 291 HA PHE 49 HA PHE 49 0.315 -3.736 2.308 292 1HB PHE 49 1HB PHE 49 0.030 -5.355 -0.170 293 2HB PHE 49 2HB PHE 49 -1.012 -3.938 0.017 294 HD1 PHE 49 HD1 PHE 49 2.432 -5.112 -0.274 295 HD2 PHE 49 HD2 PHE 49 -0.107 -1.726 0.073 296 HE1 PHE 49 HE1 PHE 49 4.336 -3.648 -0.805 297 HE2 PHE 49 HE2 PHE 49 1.793 -0.244 -0.472 298 HZ PHE 49 HZ PHE 49 4.025 -1.220 -0.883 299 H GLN 50 H GLN 50 -1.484 -6.717 1.848 300 HA GLN 50 HA GLN 50 -4.030 -5.630 2.233 301 1HB GLN 50 1HB GLN 50 -2.838 -8.354 2.405 302 2HB GLN 50 2HB GLN 50 -4.416 -8.115 3.141 303 1HG GLN 50 1HG GLN 50 -4.350 -8.948 0.746 304 2HG GLN 50 2HG GLN 50 -5.421 -7.595 1.103 305 1HE2 GLN 50 1HE2 GLN 50 -3.296 -8.740 -1.077 306 2HE2 GLN 50 2HE2 GLN 50 -2.760 -7.262 -1.791 307 H ASN 51 H ASN 51 -1.518 -6.589 4.477 308 HA ASN 51 HA ASN 51 -3.215 -6.530 6.795 309 1HB ASN 51 1HB ASN 51 -0.533 -7.312 6.199 310 2HB ASN 51 2HB ASN 51 -0.487 -6.162 7.531 311 1HD2 ASN 51 1HD2 ASN 51 -1.735 -9.237 6.442 312 2HD2 ASN 51 2HD2 ASN 51 -2.096 -9.865 8.011 313 H LYS 52 H LYS 52 -1.047 -4.285 5.177 314 HA LYS 52 HA LYS 52 -1.126 -2.297 7.220 315 1HB LYS 52 1HB LYS 52 0.422 -2.713 5.006 316 2HB LYS 52 2HB LYS 52 -0.598 -1.383 4.473 317 1HG LYS 52 1HG LYS 52 0.065 -0.222 6.639 318 2HG LYS 52 2HG LYS 52 1.312 -1.462 6.784 319 1HD LYS 52 1HD LYS 52 2.240 -0.807 4.632 320 2HD LYS 52 2HD LYS 52 0.962 0.393 4.429 321 1HE LYS 52 1HE LYS 52 2.865 1.577 5.182 322 2HE LYS 52 2HE LYS 52 1.785 1.449 6.570 323 1HZ LYS 52 1HZ LYS 52 3.210 0.118 7.669 324 2HZ LYS 52 2HZ LYS 52 4.365 0.845 6.670 325 3HZ LYS 52 3HZ LYS 52 3.744 -0.678 6.274 326 H ARG 53 H ARG 53 -3.034 -2.990 4.363 327 HA ARG 53 HA ARG 53 -4.429 -0.516 4.291 328 1HB ARG 53 1HB ARG 53 -5.020 -3.235 3.127 329 2HB ARG 53 2HB ARG 53 -6.080 -1.853 2.886 330 1HG ARG 53 1HG ARG 53 -3.206 -2.085 2.023 331 2HG ARG 53 2HG ARG 53 -4.631 -2.113 0.983 332 1HD ARG 53 1HD ARG 53 -4.446 0.092 0.782 333 2HD ARG 53 2HD ARG 53 -4.853 0.232 2.492 334 HE ARG 53 HE ARG 53 -2.177 -0.275 2.480 335 1HH1 ARG 53 1HH1 ARG 53 -4.212 2.126 0.975 336 2HH1 ARG 53 2HH1 ARG 53 -2.985 3.348 0.975 337 1HH2 ARG 53 1HH2 ARG 53 -0.561 1.329 2.481 338 2HH2 ARG 53 2HH2 ARG 53 -0.911 2.895 1.828 339 H ALA 54 H ALA 54 -4.854 -3.482 6.062 340 HA ALA 54 HA ALA 54 -7.565 -3.085 6.808 341 1HB ALA 54 1HB ALA 54 -7.371 -5.037 7.928 342 2HB ALA 54 2HB ALA 54 -5.819 -4.600 8.643 343 3HB ALA 54 3HB ALA 54 -5.892 -5.177 6.978 344 H LYS 55 H LYS 55 -4.623 -1.671 7.871 345 HA LYS 55 HA LYS 55 -5.629 -0.927 10.480 346 1HB LYS 55 1HB LYS 55 -3.228 -1.440 10.103 347 2HB LYS 55 2HB LYS 55 -3.116 -0.027 9.062 348 1HG LYS 55 1HG LYS 55 -2.277 0.705 11.100 349 2HG LYS 55 2HG LYS 55 -3.938 1.300 11.091 350 1HD LYS 55 1HD LYS 55 -3.454 -1.383 12.260 351 2HD LYS 55 2HD LYS 55 -2.889 0.015 13.176 352 1HE LYS 55 1HE LYS 55 -5.612 0.247 12.093 353 2HE LYS 55 2HE LYS 55 -5.400 -1.006 13.315 354 1HZ LYS 55 1HZ LYS 55 -6.017 1.316 14.103 355 2HZ LYS 55 2HZ LYS 55 -4.422 1.749 13.746 356 3HZ LYS 55 3HZ LYS 55 -4.733 0.550 14.896 357 H ILE 56 H ILE 56 -7.525 0.057 9.149 358 HA ILE 56 HA ILE 56 -7.000 2.936 8.978 359 HB ILE 56 HB ILE 56 -8.677 1.484 6.930 360 1HG1 ILE 56 1HG1 ILE 56 -5.909 2.664 6.606 361 2HG1 ILE 56 2HG1 ILE 56 -6.260 0.942 6.717 362 1HG2 ILE 56 1HG2 ILE 56 -7.622 4.243 6.581 363 2HG2 ILE 56 2HG2 ILE 56 -9.000 3.999 7.654 364 3HG2 ILE 56 3HG2 ILE 56 -9.102 3.511 5.962 365 1HD1 ILE 56 1HD1 ILE 56 -7.366 0.936 4.642 366 2HD1 ILE 56 2HD1 ILE 56 -5.895 1.880 4.405 367 3HD1 ILE 56 3HD1 ILE 56 -7.447 2.697 4.593 368 H LYS 57 H LYS 57 -8.033 3.106 11.001 369 HA LYS 57 HA LYS 57 -10.953 3.016 10.820 370 1HB LYS 57 1HB LYS 57 -10.003 0.953 12.001 371 2HB LYS 57 2HB LYS 57 -9.526 2.048 13.291 372 1HG LYS 57 1HG LYS 57 -12.242 2.569 12.699 373 2HG LYS 57 2HG LYS 57 -12.047 0.820 12.829 374 1HD LYS 57 1HD LYS 57 -10.682 2.410 14.900 375 2HD LYS 57 2HD LYS 57 -12.446 2.465 14.940 376 1HE LYS 57 1HE LYS 57 -11.490 0.662 16.343 377 2HE LYS 57 2HE LYS 57 -12.568 0.066 15.081 378 1HZ LYS 57 1HZ LYS 57 -10.588 -0.436 13.736 379 2HZ LYS 57 2HZ LYS 57 -10.617 -1.303 15.188 380 3HZ LYS 57 3HZ LYS 57 -9.599 0.037 15.026 381 H LYS 58 H LYS 58 -11.080 5.237 10.730 382 HA LYS 58 HA LYS 58 -10.369 6.626 13.218 383 1HB LYS 58 1HB LYS 58 -8.922 7.008 10.959 384 2HB LYS 58 2HB LYS 58 -10.172 8.225 10.740 385 1HG LYS 58 1HG LYS 58 -9.619 9.130 12.977 386 2HG LYS 58 2HG LYS 58 -8.292 7.970 13.077 387 1HD LYS 58 1HD LYS 58 -7.852 9.139 10.643 388 2HD LYS 58 2HD LYS 58 -8.491 10.485 11.588 389 1HE LYS 58 1HE LYS 58 -6.395 10.734 12.327 390 2HE LYS 58 2HE LYS 58 -6.727 9.325 13.333 391 1HZ LYS 58 1HZ LYS 58 -5.339 9.407 10.719 392 2HZ LYS 58 2HZ LYS 58 -5.906 7.965 11.398 393 3HZ LYS 58 3HZ LYS 58 -4.731 8.875 12.206 394 H SER 59 H SER 59 -12.099 7.059 10.127 395 HA SER 59 HA SER 59 -14.259 8.381 11.632 396 1HB SER 59 1HB SER 59 -12.870 9.463 9.584 397 2HB SER 59 2HB SER 59 -14.165 8.674 8.684 398 HG SER 59 HG SER 59 -14.441 10.949 9.578 Start of MODEL 24 1 1H ALA 16 1H ALA 16 -13.415 6.221 -9.074 2 2H ALA 16 2H ALA 16 -13.982 5.659 -7.555 3 3H ALA 16 3H ALA 16 -13.616 7.321 -7.775 4 HA ALA 16 HA ALA 16 -15.921 7.091 -7.809 5 1HB ALA 16 1HB ALA 16 -16.367 7.732 -10.244 6 2HB ALA 16 2HB ALA 16 -14.630 7.539 -10.480 7 3HB ALA 16 3HB ALA 16 -15.237 8.730 -9.330 8 H LYS 17 H LYS 17 -14.448 4.982 -10.264 9 HA LYS 17 HA LYS 17 -16.252 2.853 -9.687 10 1HB LYS 17 1HB LYS 17 -17.391 2.755 -11.847 11 2HB LYS 17 2HB LYS 17 -17.763 4.257 -11.013 12 1HG LYS 17 1HG LYS 17 -15.561 4.900 -12.545 13 2HG LYS 17 2HG LYS 17 -16.492 3.818 -13.581 14 1HD LYS 17 1HD LYS 17 -18.453 5.200 -13.344 15 2HD LYS 17 2HD LYS 17 -17.632 6.227 -12.167 16 1HE LYS 17 1HE LYS 17 -16.441 5.873 -14.879 17 2HE LYS 17 2HE LYS 17 -17.822 6.951 -14.682 18 1HZ LYS 17 1HZ LYS 17 -16.578 8.174 -13.008 19 2HZ LYS 17 2HZ LYS 17 -15.737 8.145 -14.474 20 3HZ LYS 17 3HZ LYS 17 -15.253 7.140 -13.203 21 H ARG 18 H ARG 18 -15.505 0.919 -10.445 22 HA ARG 18 HA ARG 18 -14.057 -0.602 -11.310 23 1HB ARG 18 1HB ARG 18 -13.680 1.574 -13.372 24 2HB ARG 18 2HB ARG 18 -12.957 -0.023 -13.501 25 1HG ARG 18 1HG ARG 18 -14.882 -0.985 -14.131 26 2HG ARG 18 2HG ARG 18 -15.848 -0.024 -13.011 27 1HD ARG 18 1HD ARG 18 -16.493 1.292 -14.678 28 2HD ARG 18 2HD ARG 18 -14.813 1.714 -15.010 29 HE ARG 18 HE ARG 18 -16.467 -0.042 -16.525 30 1HH1 ARG 18 1HH1 ARG 18 -13.169 0.522 -15.532 31 2HH1 ARG 18 2HH1 ARG 18 -12.487 -0.283 -16.905 32 1HH2 ARG 18 1HH2 ARG 18 -15.571 -1.101 -18.330 33 2HH2 ARG 18 2HH2 ARG 18 -13.850 -1.204 -18.495 34 H GLU 19 H GLU 19 -12.208 2.276 -12.258 35 HA GLU 19 HA GLU 19 -9.816 1.260 -11.101 36 1HB GLU 19 1HB GLU 19 -10.248 3.017 -13.051 37 2HB GLU 19 2HB GLU 19 -10.088 4.162 -11.725 38 1HG GLU 19 1HG GLU 19 -7.879 3.553 -11.306 39 2HG GLU 19 2HG GLU 19 -8.030 2.042 -12.199 40 H PHE 20 H PHE 20 -8.958 1.559 -9.135 41 HA PHE 20 HA PHE 20 -10.376 3.375 -7.298 42 1HB PHE 20 1HB PHE 20 -9.238 1.799 -5.535 43 2HB PHE 20 2HB PHE 20 -10.723 1.300 -6.339 44 HD1 PHE 20 HD1 PHE 20 -7.025 1.031 -6.629 45 HD2 PHE 20 HD2 PHE 20 -10.810 -0.761 -7.384 46 HE1 PHE 20 HE1 PHE 20 -5.898 -1.017 -7.400 47 HE2 PHE 20 HE2 PHE 20 -9.691 -2.812 -8.155 48 HZ PHE 20 HZ PHE 20 -7.232 -2.943 -8.164 49 H ASN 21 H ASN 21 -8.912 3.893 -5.333 50 HA ASN 21 HA ASN 21 -6.192 4.521 -6.228 51 1HB ASN 21 1HB ASN 21 -8.325 6.372 -5.548 52 2HB ASN 21 2HB ASN 21 -6.904 6.614 -4.540 53 1HD2 ASN 21 1HD2 ASN 21 -4.795 6.487 -5.897 54 2HD2 ASN 21 2HD2 ASN 21 -4.798 7.447 -7.334 55 H GLU 22 H GLU 22 -7.206 2.438 -4.634 56 HA GLU 22 HA GLU 22 -6.267 3.081 -1.934 57 1HB GLU 22 1HB GLU 22 -7.287 0.934 -1.274 58 2HB GLU 22 2HB GLU 22 -8.449 2.016 -2.029 59 1HG GLU 22 1HG GLU 22 -7.496 0.555 -4.152 60 2HG GLU 22 2HG GLU 22 -7.548 -0.624 -2.842 61 H ASN 23 H ASN 23 -5.515 1.213 -4.770 62 HA ASN 23 HA ASN 23 -2.898 0.643 -3.705 63 1HB ASN 23 1HB ASN 23 -4.662 -1.654 -4.559 64 2HB ASN 23 2HB ASN 23 -2.985 -1.759 -4.035 65 1HD2 ASN 23 1HD2 ASN 23 -2.495 -1.248 -1.836 66 2HD2 ASN 23 2HD2 ASN 23 -3.694 -1.453 -0.609 67 H ARG 24 H ARG 24 -2.029 1.798 -5.350 68 HA ARG 24 HA ARG 24 -1.353 0.560 -7.739 69 1HB ARG 24 1HB ARG 24 -3.863 2.138 -7.829 70 2HB ARG 24 2HB ARG 24 -2.716 2.445 -9.126 71 1HG ARG 24 1HG ARG 24 -3.065 -0.383 -8.666 72 2HG ARG 24 2HG ARG 24 -4.600 0.420 -9.001 73 1HD ARG 24 1HD ARG 24 -2.821 1.507 -10.843 74 2HD ARG 24 2HD ARG 24 -2.404 -0.203 -10.785 75 HE ARG 24 HE ARG 24 -5.144 -0.117 -10.990 76 1HH1 ARG 24 1HH1 ARG 24 -2.442 1.028 -12.878 77 2HH1 ARG 24 2HH1 ARG 24 -3.281 0.901 -14.387 78 1HH2 ARG 24 1HH2 ARG 24 -6.250 -0.283 -12.974 79 2HH2 ARG 24 2HH2 ARG 24 -5.444 0.158 -14.442 80 H TYR 25 H TYR 25 -2.466 3.840 -7.157 81 HA TYR 25 HA TYR 25 -0.579 5.421 -8.206 82 1HB TYR 25 1HB TYR 25 -1.045 7.029 -6.376 83 2HB TYR 25 2HB TYR 25 -2.520 6.261 -6.963 84 HD1 TYR 25 HD1 TYR 25 -2.968 3.893 -5.641 85 HD2 TYR 25 HD2 TYR 25 -0.944 7.291 -4.074 86 HE1 TYR 25 HE1 TYR 25 -3.453 3.117 -3.384 87 HE2 TYR 25 HE2 TYR 25 -1.445 6.529 -1.790 88 HH TYR 25 HH TYR 25 -3.662 4.602 -0.936 89 H LEU 26 H LEU 26 -0.319 3.776 -5.102 90 HA LEU 26 HA LEU 26 2.556 4.386 -5.045 91 1HB LEU 26 1HB LEU 26 2.489 4.868 -2.827 92 2HB LEU 26 2HB LEU 26 0.870 5.363 -3.269 93 HG LEU 26 HG LEU 26 0.618 4.202 -1.248 94 1HD1 LEU 26 1HD1 LEU 26 -1.053 2.869 -1.856 95 2HD1 LEU 26 2HD1 LEU 26 0.016 1.782 -2.740 96 3HD1 LEU 26 3HD1 LEU 26 -0.596 3.241 -3.516 97 1HD2 LEU 26 1HD2 LEU 26 2.990 3.074 -1.702 98 2HD2 LEU 26 2HD2 LEU 26 1.951 1.702 -2.085 99 3HD2 LEU 26 3HD2 LEU 26 1.854 2.466 -0.499 100 H THR 27 H THR 27 0.159 1.955 -5.043 101 HA THR 27 HA THR 27 1.332 -0.116 -3.662 102 HB THR 27 HB THR 27 -0.437 -0.073 -6.089 103 HG1 THR 27 HG1 THR 27 -0.842 -0.946 -3.425 104 1HG2 THR 27 1HG2 THR 27 0.868 -2.441 -4.867 105 2HG2 THR 27 2HG2 THR 27 0.390 -2.144 -6.539 106 3HG2 THR 27 3HG2 THR 27 -0.828 -2.561 -5.334 107 H GLU 28 H GLU 28 1.332 -0.232 -7.202 108 HA GLU 28 HA GLU 28 3.521 -1.919 -7.436 109 1HB GLU 28 1HB GLU 28 2.641 0.118 -9.481 110 2HB GLU 28 2HB GLU 28 3.535 -1.365 -9.786 111 1HG GLU 28 1HG GLU 28 1.688 -2.612 -9.810 112 2HG GLU 28 2HG GLU 28 1.005 -1.797 -8.404 113 H ARG 29 H ARG 29 3.434 1.604 -7.300 114 HA ARG 29 HA ARG 29 6.080 2.060 -8.148 115 1HB ARG 29 1HB ARG 29 4.142 3.646 -6.484 116 2HB ARG 29 2HB ARG 29 5.779 4.223 -6.766 117 1HG ARG 29 1HG ARG 29 3.891 3.494 -8.988 118 2HG ARG 29 2HG ARG 29 4.016 5.119 -8.313 119 1HD ARG 29 1HD ARG 29 5.479 5.277 -10.072 120 2HD ARG 29 2HD ARG 29 6.572 4.782 -8.780 121 HE ARG 29 HE ARG 29 5.514 2.536 -10.169 122 1HH1 ARG 29 1HH1 ARG 29 7.898 5.075 -10.396 123 2HH1 ARG 29 2HH1 ARG 29 8.945 4.170 -11.437 124 1HH2 ARG 29 1HH2 ARG 29 6.890 1.345 -11.538 125 2HH2 ARG 29 2HH2 ARG 29 8.372 2.054 -12.086 126 H ARG 30 H ARG 30 4.697 1.751 -4.892 127 HA ARG 30 HA ARG 30 7.293 1.872 -3.647 128 1HB ARG 30 1HB ARG 30 4.537 1.310 -2.556 129 2HB ARG 30 2HB ARG 30 5.986 1.335 -1.559 130 1HG ARG 30 1HG ARG 30 6.277 3.708 -2.702 131 2HG ARG 30 2HG ARG 30 4.523 3.570 -2.838 132 1HD ARG 30 1HD ARG 30 4.563 2.955 -0.356 133 2HD ARG 30 2HD ARG 30 6.220 3.558 -0.359 134 HE ARG 30 HE ARG 30 3.835 5.113 -0.368 135 1HH1 ARG 30 1HH1 ARG 30 7.132 5.064 -1.511 136 2HH1 ARG 30 2HH1 ARG 30 7.262 6.789 -1.588 137 1HH2 ARG 30 1HH2 ARG 30 4.004 7.381 -0.470 138 2HH2 ARG 30 2HH2 ARG 30 5.487 8.106 -0.997 139 H ARG 31 H ARG 31 5.218 -0.593 -4.880 140 HA ARG 31 HA ARG 31 5.974 -2.789 -3.341 141 1HB ARG 31 1HB ARG 31 4.545 -2.321 -5.775 142 2HB ARG 31 2HB ARG 31 5.655 -3.659 -6.027 143 1HG ARG 31 1HG ARG 31 4.692 -4.910 -4.267 144 2HG ARG 31 2HG ARG 31 3.761 -3.521 -3.701 145 1HD ARG 31 1HD ARG 31 2.477 -5.252 -5.018 146 2HD ARG 31 2HD ARG 31 2.336 -3.589 -5.584 147 HE ARG 31 HE ARG 31 4.411 -5.089 -6.893 148 1HH1 ARG 31 1HH1 ARG 31 1.015 -4.283 -6.911 149 2HH1 ARG 31 2HH1 ARG 31 0.817 -4.619 -8.598 150 1HH2 ARG 31 1HH2 ARG 31 4.152 -5.531 -9.112 151 2HH2 ARG 31 2HH2 ARG 31 2.597 -5.328 -9.848 152 H GLN 32 H GLN 32 7.475 -1.393 -6.215 153 HA GLN 32 HA GLN 32 9.441 -3.375 -6.576 154 1HB GLN 32 1HB GLN 32 8.707 -1.466 -8.156 155 2HB GLN 32 2HB GLN 32 9.872 -0.485 -7.278 156 1HG GLN 32 1HG GLN 32 11.218 -2.844 -7.945 157 2HG GLN 32 2HG GLN 32 10.300 -2.389 -9.379 158 1HE2 GLN 32 1HE2 GLN 32 10.349 0.387 -9.050 159 2HE2 GLN 32 2HE2 GLN 32 11.969 0.938 -9.288 160 H GLN 33 H GLN 33 9.506 -0.310 -4.800 161 HA GLN 33 HA GLN 33 12.221 -0.630 -3.960 162 1HB GLN 33 1HB GLN 33 10.085 1.210 -2.874 163 2HB GLN 33 2HB GLN 33 11.813 1.343 -2.576 164 1HG GLN 33 1HG GLN 33 12.177 1.729 -4.975 165 2HG GLN 33 2HG GLN 33 10.435 1.652 -5.234 166 1HE2 GLN 33 1HE2 GLN 33 9.117 3.297 -4.346 167 2HE2 GLN 33 2HE2 GLN 33 9.770 4.851 -3.971 168 H LEU 34 H LEU 34 9.069 -1.181 -2.437 169 HA LEU 34 HA LEU 34 10.051 -1.723 0.142 170 1HB LEU 34 1HB LEU 34 7.513 -2.125 -1.296 171 2HB LEU 34 2HB LEU 34 7.785 -3.208 0.053 172 HG LEU 34 HG LEU 34 7.622 -0.199 0.122 173 1HD1 LEU 34 1HD1 LEU 34 6.059 -1.761 2.007 174 2HD1 LEU 34 2HD1 LEU 34 5.677 -2.136 0.329 175 3HD1 LEU 34 3HD1 LEU 34 5.557 -0.476 0.909 176 1HD2 LEU 34 1HD2 LEU 34 8.866 -2.099 2.020 177 2HD2 LEU 34 2HD2 LEU 34 7.839 -0.839 2.705 178 3HD2 LEU 34 3HD2 LEU 34 9.229 -0.401 1.709 179 H SER 35 H SER 35 9.459 -3.841 -2.622 180 HA SER 35 HA SER 35 9.925 -6.270 -1.283 181 1HB SER 35 1HB SER 35 9.527 -5.396 -4.011 182 2HB SER 35 2HB SER 35 10.795 -6.618 -3.935 183 HG SER 35 HG SER 35 8.083 -6.825 -3.390 184 H SER 36 H SER 36 12.098 -4.147 -3.122 185 HA SER 36 HA SER 36 14.407 -5.756 -2.793 186 1HB SER 36 1HB SER 36 14.313 -4.152 -4.593 187 2HB SER 36 2HB SER 36 14.104 -2.821 -3.455 188 HG SER 36 HG SER 36 16.189 -3.095 -2.761 189 H GLU 37 H GLU 37 13.235 -2.881 -1.054 190 HA GLU 37 HA GLU 37 15.446 -2.640 0.669 191 1HB GLU 37 1HB GLU 37 13.199 -1.160 0.182 192 2HB GLU 37 2HB GLU 37 12.861 -1.795 1.786 193 1HG GLU 37 1HG GLU 37 13.986 0.016 2.464 194 2HG GLU 37 2HG GLU 37 15.403 -0.975 2.123 195 H LEU 38 H LEU 38 12.334 -4.296 1.082 196 HA LEU 38 HA LEU 38 13.106 -5.264 3.700 197 1HB LEU 38 1HB LEU 38 10.659 -5.518 1.994 198 2HB LEU 38 2HB LEU 38 10.885 -6.585 3.367 199 HG LEU 38 HG LEU 38 10.940 -4.697 4.888 200 1HD1 LEU 38 1HD1 LEU 38 11.898 -2.887 3.896 201 2HD1 LEU 38 2HD1 LEU 38 10.201 -2.445 3.712 202 3HD1 LEU 38 3HD1 LEU 38 11.080 -3.154 2.356 203 1HD2 LEU 38 1HD2 LEU 38 8.619 -3.743 4.334 204 2HD2 LEU 38 2HD2 LEU 38 8.763 -5.479 4.606 205 3HD2 LEU 38 3HD2 LEU 38 8.647 -4.851 2.963 206 H GLY 39 H GLY 39 13.391 -6.320 0.453 207 1HA GLY 39 1HA GLY 39 14.386 -8.205 -0.418 208 2HA GLY 39 2HA GLY 39 14.834 -8.650 1.223 209 H LEU 40 H LEU 40 11.528 -8.064 0.266 210 HA LEU 40 HA LEU 40 10.981 -10.936 0.623 211 1HB LEU 40 1HB LEU 40 8.570 -9.938 1.040 212 2HB LEU 40 2HB LEU 40 9.755 -10.052 2.327 213 HG LEU 40 HG LEU 40 10.364 -7.623 1.714 214 1HD1 LEU 40 1HD1 LEU 40 8.933 -7.836 -0.425 215 2HD1 LEU 40 2HD1 LEU 40 8.856 -6.340 0.506 216 3HD1 LEU 40 3HD1 LEU 40 7.569 -7.537 0.651 217 1HD2 LEU 40 1HD2 LEU 40 8.234 -6.838 2.973 218 2HD2 LEU 40 2HD2 LEU 40 9.384 -7.901 3.785 219 3HD2 LEU 40 3HD2 LEU 40 7.896 -8.562 3.108 220 H ASN 41 H ASN 41 9.195 -11.821 -0.612 221 HA ASN 41 HA ASN 41 9.229 -10.813 -3.332 222 1HB ASN 41 1HB ASN 41 9.290 -13.334 -2.372 223 2HB ASN 41 2HB ASN 41 7.558 -13.163 -2.638 224 1HD2 ASN 41 1HD2 ASN 41 6.897 -12.420 -4.794 225 2HD2 ASN 41 2HD2 ASN 41 7.815 -12.945 -6.160 226 H GLU 42 H GLU 42 7.276 -10.496 -4.563 227 HA GLU 42 HA GLU 42 5.457 -8.740 -3.460 228 1HB GLU 42 1HB GLU 42 4.979 -10.638 -5.768 229 2HB GLU 42 2HB GLU 42 4.067 -9.169 -5.442 230 1HG GLU 42 1HG GLU 42 5.511 -7.991 -6.628 231 2HG GLU 42 2HG GLU 42 6.819 -8.488 -5.556 232 H ALA 43 H ALA 43 5.453 -12.221 -3.462 233 HA ALA 43 HA ALA 43 2.763 -12.729 -2.856 234 1HB ALA 43 1HB ALA 43 4.920 -14.300 -3.257 235 2HB ALA 43 2HB ALA 43 3.408 -14.878 -2.555 236 3HB ALA 43 3HB ALA 43 4.756 -14.437 -1.506 237 H GLN 44 H GLN 44 5.476 -11.760 -0.872 238 HA GLN 44 HA GLN 44 4.040 -11.959 1.627 239 1HB GLN 44 1HB GLN 44 6.691 -10.742 0.847 240 2HB GLN 44 2HB GLN 44 6.065 -10.701 2.489 241 1HG GLN 44 1HG GLN 44 6.445 -13.271 0.991 242 2HG GLN 44 2HG GLN 44 7.739 -12.522 1.926 243 1HE2 GLN 44 1HE2 GLN 44 6.590 -11.647 4.143 244 2HE2 GLN 44 2HE2 GLN 44 5.852 -12.933 5.030 245 H ILE 45 H ILE 45 4.680 -9.650 -0.850 246 HA ILE 45 HA ILE 45 4.074 -7.262 0.515 247 HB ILE 45 HB ILE 45 3.968 -7.989 -2.411 248 1HG1 ILE 45 1HG1 ILE 45 6.183 -7.997 -1.228 249 2HG1 ILE 45 2HG1 ILE 45 6.081 -6.862 -2.572 250 1HG2 ILE 45 1HG2 ILE 45 4.024 -5.151 -1.514 251 2HG2 ILE 45 2HG2 ILE 45 2.482 -5.996 -1.608 252 3HG2 ILE 45 3HG2 ILE 45 3.488 -5.841 -3.042 253 1HD1 ILE 45 1HD1 ILE 45 5.621 -5.062 -0.914 254 2HD1 ILE 45 2HD1 ILE 45 7.219 -5.799 -0.787 255 3HD1 ILE 45 3HD1 ILE 45 5.952 -6.234 0.362 256 H LYS 46 H LYS 46 2.067 -9.572 -1.284 257 HA LYS 46 HA LYS 46 -0.299 -8.079 -1.365 258 1HB LYS 46 1HB LYS 46 0.330 -10.411 -2.411 259 2HB LYS 46 2HB LYS 46 -0.381 -11.041 -0.931 260 1HG LYS 46 1HG LYS 46 -1.991 -9.028 -2.346 261 2HG LYS 46 2HG LYS 46 -1.762 -10.560 -3.193 262 1HD LYS 46 1HD LYS 46 -2.351 -11.471 -0.728 263 2HD LYS 46 2HD LYS 46 -3.261 -9.959 -0.720 264 1HE LYS 46 1HE LYS 46 -4.578 -10.607 -2.540 265 2HE LYS 46 2HE LYS 46 -3.451 -11.877 -3.018 266 1HZ LYS 46 1HZ LYS 46 -5.206 -11.884 -0.622 267 2HZ LYS 46 2HZ LYS 46 -4.054 -13.072 -0.971 268 3HZ LYS 46 3HZ LYS 46 -5.376 -12.850 -2.001 269 H ILE 47 H ILE 47 0.843 -10.434 1.016 270 HA ILE 47 HA ILE 47 -1.330 -10.094 2.827 271 HB ILE 47 HB ILE 47 1.292 -11.471 2.845 272 1HG1 ILE 47 1HG1 ILE 47 -1.321 -12.354 4.059 273 2HG1 ILE 47 2HG1 ILE 47 -1.020 -12.449 2.327 274 1HG2 ILE 47 1HG2 ILE 47 1.105 -11.934 5.307 275 2HG2 ILE 47 2HG2 ILE 47 -0.046 -10.601 5.397 276 3HG2 ILE 47 3HG2 ILE 47 1.615 -10.297 4.885 277 1HD1 ILE 47 1HD1 ILE 47 -0.400 -14.541 2.938 278 2HD1 ILE 47 2HD1 ILE 47 0.126 -14.038 4.546 279 3HD1 ILE 47 3HD1 ILE 47 1.147 -13.718 3.143 280 H TRP 48 H TRP 48 1.929 -8.816 2.606 281 HA TRP 48 HA TRP 48 2.057 -7.368 4.981 282 1HB TRP 48 1HB TRP 48 3.983 -7.859 3.552 283 2HB TRP 48 2HB TRP 48 3.317 -6.858 2.276 284 HD1 TRP 48 HD1 TRP 48 5.699 -6.758 5.073 285 HE1 TRP 48 HE1 TRP 48 6.501 -4.350 5.462 286 HE3 TRP 48 HE3 TRP 48 2.235 -4.234 2.308 287 HZ2 TRP 48 HZ2 TRP 48 5.781 -1.743 4.732 288 HZ3 TRP 48 HZ3 TRP 48 2.357 -1.788 2.206 289 HH2 TRP 48 HH2 TRP 48 4.103 -0.572 3.383 290 H PHE 49 H PHE 49 1.095 -6.319 1.736 291 HA PHE 49 HA PHE 49 0.374 -3.702 2.581 292 1HB PHE 49 1HB PHE 49 0.121 -5.248 0.053 293 2HB PHE 49 2HB PHE 49 -0.912 -3.828 0.262 294 HD1 PHE 49 HD1 PHE 49 2.538 -5.020 0.058 295 HD2 PHE 49 HD2 PHE 49 -0.003 -1.629 0.332 296 HE1 PHE 49 HE1 PHE 49 4.460 -3.563 -0.409 297 HE2 PHE 49 HE2 PHE 49 1.919 -0.150 -0.145 298 HZ PHE 49 HZ PHE 49 4.162 -1.131 -0.488 299 H GLN 50 H GLN 50 -1.448 -6.652 1.993 300 HA GLN 50 HA GLN 50 -3.982 -5.521 2.386 301 1HB GLN 50 1HB GLN 50 -2.891 -8.309 2.544 302 2HB GLN 50 2HB GLN 50 -4.534 -7.990 3.083 303 1HG GLN 50 1HG GLN 50 -4.254 -6.743 0.578 304 2HG GLN 50 2HG GLN 50 -3.535 -8.346 0.432 305 1HE2 GLN 50 1HE2 GLN 50 -5.057 -9.877 2.029 306 2HE2 GLN 50 2HE2 GLN 50 -6.692 -9.911 1.472 307 H ASN 51 H ASN 51 -1.516 -6.652 4.595 308 HA ASN 51 HA ASN 51 -3.196 -6.732 6.907 309 1HB ASN 51 1HB ASN 51 -0.341 -7.093 6.307 310 2HB ASN 51 2HB ASN 51 -0.658 -6.390 7.890 311 1HD2 ASN 51 1HD2 ASN 51 -1.330 -9.125 5.799 312 2HD2 ASN 51 2HD2 ASN 51 -1.708 -10.239 7.065 313 H LYS 52 H LYS 52 -1.215 -4.298 5.349 314 HA LYS 52 HA LYS 52 -1.264 -2.421 7.486 315 1HB LYS 52 1HB LYS 52 -0.872 -1.911 4.531 316 2HB LYS 52 2HB LYS 52 -0.451 -0.814 5.838 317 1HG LYS 52 1HG LYS 52 0.755 -3.478 6.043 318 2HG LYS 52 2HG LYS 52 1.269 -2.533 4.645 319 1HD LYS 52 1HD LYS 52 1.305 -1.527 7.489 320 2HD LYS 52 2HD LYS 52 2.700 -2.221 6.661 321 1HE LYS 52 1HE LYS 52 2.407 -0.456 4.900 322 2HE LYS 52 2HE LYS 52 1.195 0.288 5.942 323 1HZ LYS 52 1HZ LYS 52 3.388 1.297 6.209 324 2HZ LYS 52 2HZ LYS 52 4.029 -0.191 6.692 325 3HZ LYS 52 3HZ LYS 52 2.863 0.576 7.647 326 H ARG 53 H ARG 53 -3.213 -2.835 4.552 327 HA ARG 53 HA ARG 53 -5.213 -1.023 5.735 328 1HB ARG 53 1HB ARG 53 -4.836 -1.367 2.768 329 2HB ARG 53 2HB ARG 53 -5.736 -0.117 3.615 330 1HG ARG 53 1HG ARG 53 -3.129 0.123 4.558 331 2HG ARG 53 2HG ARG 53 -2.964 -0.180 2.828 332 1HD ARG 53 1HD ARG 53 -4.592 1.991 4.142 333 2HD ARG 53 2HD ARG 53 -3.105 2.196 3.221 334 HE ARG 53 HE ARG 53 -4.293 1.734 1.237 335 1HH1 ARG 53 1HH1 ARG 53 -6.375 1.794 4.048 336 2HH1 ARG 53 2HH1 ARG 53 -7.821 1.995 3.120 337 1HH2 ARG 53 1HH2 ARG 53 -6.197 1.995 0.028 338 2HH2 ARG 53 2HH2 ARG 53 -7.721 2.107 0.842 339 H ALA 54 H ALA 54 -6.643 -2.461 6.540 340 HA ALA 54 HA ALA 54 -7.739 -4.459 4.670 341 1HB ALA 54 1HB ALA 54 -7.231 -4.638 7.621 342 2HB ALA 54 2HB ALA 54 -6.698 -5.723 6.338 343 3HB ALA 54 3HB ALA 54 -8.394 -5.693 6.819 344 H LYS 55 H LYS 55 -8.700 -2.925 7.747 345 HA LYS 55 HA LYS 55 -11.185 -2.041 6.473 346 1HB LYS 55 1HB LYS 55 -11.641 -4.202 7.594 347 2HB LYS 55 2HB LYS 55 -11.085 -3.513 9.112 348 1HG LYS 55 1HG LYS 55 -12.899 -1.787 8.866 349 2HG LYS 55 2HG LYS 55 -13.519 -2.751 7.523 350 1HD LYS 55 1HD LYS 55 -14.277 -4.403 8.885 351 2HD LYS 55 2HD LYS 55 -12.969 -4.189 10.050 352 1HE LYS 55 1HE LYS 55 -15.026 -3.536 11.092 353 2HE LYS 55 2HE LYS 55 -14.063 -2.088 10.801 354 1HZ LYS 55 1HZ LYS 55 -15.399 -1.796 8.721 355 2HZ LYS 55 2HZ LYS 55 -16.265 -1.594 10.160 356 3HZ LYS 55 3HZ LYS 55 -16.423 -3.026 9.274 357 H ILE 56 H ILE 56 -10.175 0.036 6.560 358 HA ILE 56 HA ILE 56 -10.382 1.268 9.220 359 HB ILE 56 HB ILE 56 -8.224 1.981 7.235 360 1HG1 ILE 56 1HG1 ILE 56 -7.783 0.528 9.836 361 2HG1 ILE 56 2HG1 ILE 56 -8.079 -0.349 8.339 362 1HG2 ILE 56 1HG2 ILE 56 -7.431 3.490 8.788 363 2HG2 ILE 56 2HG2 ILE 56 -8.225 2.679 10.139 364 3HG2 ILE 56 3HG2 ILE 56 -9.175 3.637 9.003 365 1HD1 ILE 56 1HD1 ILE 56 -6.044 0.157 7.485 366 2HD1 ILE 56 2HD1 ILE 56 -5.643 0.229 9.201 367 3HD1 ILE 56 3HD1 ILE 56 -5.960 1.715 8.305 368 H LYS 57 H LYS 57 -12.465 1.977 8.514 369 HA LYS 57 HA LYS 57 -13.931 3.507 7.687 370 1HB LYS 57 1HB LYS 57 -12.159 5.049 8.635 371 2HB LYS 57 2HB LYS 57 -11.515 5.181 7.004 372 1HG LYS 57 1HG LYS 57 -13.196 6.514 6.299 373 2HG LYS 57 2HG LYS 57 -14.398 5.725 7.321 374 1HD LYS 57 1HD LYS 57 -13.186 6.834 9.285 375 2HD LYS 57 2HD LYS 57 -12.397 7.838 8.067 376 1HE LYS 57 1HE LYS 57 -15.385 7.556 8.320 377 2HE LYS 57 2HE LYS 57 -14.456 8.832 9.105 378 1HZ LYS 57 1HZ LYS 57 -14.533 8.347 6.176 379 2HZ LYS 57 2HZ LYS 57 -13.731 9.612 6.960 380 3HZ LYS 57 3HZ LYS 57 -15.420 9.539 6.985 381 H LYS 58 H LYS 58 -14.767 4.445 5.710 382 HA LYS 58 HA LYS 58 -14.045 2.872 3.415 383 1HB LYS 58 1HB LYS 58 -15.942 3.945 2.329 384 2HB LYS 58 2HB LYS 58 -16.394 3.387 3.934 385 1HG LYS 58 1HG LYS 58 -15.862 5.793 4.681 386 2HG LYS 58 2HG LYS 58 -15.965 6.183 2.964 387 1HD LYS 58 1HD LYS 58 -18.158 4.599 4.220 388 2HD LYS 58 2HD LYS 58 -18.082 6.338 4.516 389 1HE LYS 58 1HE LYS 58 -18.103 5.050 1.789 390 2HE LYS 58 2HE LYS 58 -19.518 5.730 2.590 391 1HZ LYS 58 1HZ LYS 58 -18.910 7.550 1.440 392 2HZ LYS 58 2HZ LYS 58 -17.293 7.075 1.295 393 3HZ LYS 58 3HZ LYS 58 -17.840 7.785 2.730 394 H SER 59 H SER 59 -12.376 3.391 2.174 395 HA SER 59 HA SER 59 -12.190 5.890 0.859 396 1HB SER 59 1HB SER 59 -11.306 6.458 3.174 397 2HB SER 59 2HB SER 59 -9.948 5.389 2.822 398 HG SER 59 HG SER 59 -10.682 7.524 1.117 Start of MODEL 25 1 1H ALA 16 1H ALA 16 -18.735 -7.191 -9.725 2 2H ALA 16 2H ALA 16 -17.088 -6.896 -10.104 3 3H ALA 16 3H ALA 16 -18.216 -5.603 -10.107 4 HA ALA 16 HA ALA 16 -18.404 -5.564 -7.859 5 1HB ALA 16 1HB ALA 16 -18.615 -8.125 -7.810 6 2HB ALA 16 2HB ALA 16 -17.935 -7.317 -6.398 7 3HB ALA 16 3HB ALA 16 -16.871 -8.120 -7.552 8 H LYS 17 H LYS 17 -16.393 -4.790 -9.857 9 HA LYS 17 HA LYS 17 -14.193 -4.258 -7.990 10 1HB LYS 17 1HB LYS 17 -13.573 -6.098 -9.579 11 2HB LYS 17 2HB LYS 17 -13.779 -4.957 -10.901 12 1HG LYS 17 1HG LYS 17 -12.010 -3.553 -9.961 13 2HG LYS 17 2HG LYS 17 -11.798 -4.710 -8.646 14 1HD LYS 17 1HD LYS 17 -11.591 -6.338 -10.804 15 2HD LYS 17 2HD LYS 17 -10.913 -4.843 -11.450 16 1HE LYS 17 1HE LYS 17 -9.686 -4.945 -9.045 17 2HE LYS 17 2HE LYS 17 -9.871 -6.665 -9.383 18 1HZ LYS 17 1HZ LYS 17 -8.614 -6.485 -11.330 19 2HZ LYS 17 2HZ LYS 17 -7.767 -5.555 -10.199 20 3HZ LYS 17 3HZ LYS 17 -8.724 -4.797 -11.369 21 H ARG 18 H ARG 18 -13.265 -2.243 -8.157 22 HA ARG 18 HA ARG 18 -14.116 -0.475 -10.317 23 1HB ARG 18 1HB ARG 18 -14.903 -0.213 -7.462 24 2HB ARG 18 2HB ARG 18 -14.455 1.262 -8.311 25 1HG ARG 18 1HG ARG 18 -16.215 1.072 -9.824 26 2HG ARG 18 2HG ARG 18 -16.457 -0.639 -9.469 27 1HD ARG 18 1HD ARG 18 -16.773 1.173 -7.176 28 2HD ARG 18 2HD ARG 18 -17.968 1.373 -8.457 29 HE ARG 18 HE ARG 18 -17.727 -0.838 -6.642 30 1HH1 ARG 18 1HH1 ARG 18 -18.868 0.153 -9.788 31 2HH1 ARG 18 2HH1 ARG 18 -20.050 -1.108 -9.895 32 1HH2 ARG 18 1HH2 ARG 18 -19.281 -2.497 -6.781 33 2HH2 ARG 18 2HH2 ARG 18 -20.284 -2.613 -8.188 34 H GLU 19 H GLU 19 -12.821 1.421 -10.537 35 HA GLU 19 HA GLU 19 -10.086 1.014 -10.081 36 1HB GLU 19 1HB GLU 19 -11.736 2.943 -11.404 37 2HB GLU 19 2HB GLU 19 -10.533 3.794 -10.445 38 1HG GLU 19 1HG GLU 19 -8.879 2.110 -11.556 39 2HG GLU 19 2HG GLU 19 -10.160 1.953 -12.755 40 H PHE 20 H PHE 20 -8.714 2.840 -9.020 41 HA PHE 20 HA PHE 20 -9.746 4.161 -6.735 42 1HB PHE 20 1HB PHE 20 -8.310 2.745 -5.101 43 2HB PHE 20 2HB PHE 20 -9.894 2.139 -5.577 44 HD1 PHE 20 HD1 PHE 20 -6.284 1.882 -6.396 45 HD2 PHE 20 HD2 PHE 20 -10.107 0.019 -6.505 46 HE1 PHE 20 HE1 PHE 20 -5.240 -0.206 -7.170 47 HE2 PHE 20 HE2 PHE 20 -9.070 -2.073 -7.278 48 HZ PHE 20 HZ PHE 20 -6.633 -2.188 -7.612 49 H ASN 21 H ASN 21 -7.908 4.965 -5.305 50 HA ASN 21 HA ASN 21 -5.442 5.319 -6.859 51 1HB ASN 21 1HB ASN 21 -7.297 7.290 -6.615 52 2HB ASN 21 2HB ASN 21 -6.285 7.605 -5.211 53 1HD2 ASN 21 1HD2 ASN 21 -5.571 6.469 -8.491 54 2HD2 ASN 21 2HD2 ASN 21 -4.423 7.708 -8.857 55 H GLU 22 H GLU 22 -6.022 3.555 -4.758 56 HA GLU 22 HA GLU 22 -4.137 4.521 -2.719 57 1HB GLU 22 1HB GLU 22 -5.450 3.026 -1.105 58 2HB GLU 22 2HB GLU 22 -6.180 4.557 -1.569 59 1HG GLU 22 1HG GLU 22 -7.412 3.218 -3.362 60 2HG GLU 22 2HG GLU 22 -6.906 1.791 -2.459 61 H ASN 23 H ASN 23 -4.437 2.437 -5.174 62 HA ASN 23 HA ASN 23 -2.494 0.621 -4.022 63 1HB ASN 23 1HB ASN 23 -5.241 -0.143 -4.790 64 2HB ASN 23 2HB ASN 23 -3.959 -1.230 -5.309 65 1HD2 ASN 23 1HD2 ASN 23 -2.425 -1.904 -3.588 66 2HD2 ASN 23 2HD2 ASN 23 -3.070 -2.217 -2.016 67 H ARG 24 H ARG 24 -2.390 2.669 -5.931 68 HA ARG 24 HA ARG 24 -1.250 1.200 -8.183 69 1HB ARG 24 1HB ARG 24 -3.019 3.584 -8.683 70 2HB ARG 24 2HB ARG 24 -2.383 2.441 -9.857 71 1HG ARG 24 1HG ARG 24 -4.316 1.608 -7.720 72 2HG ARG 24 2HG ARG 24 -4.850 2.271 -9.264 73 1HD ARG 24 1HD ARG 24 -2.962 0.327 -9.925 74 2HD ARG 24 2HD ARG 24 -3.913 -0.386 -8.625 75 HE ARG 24 HE ARG 24 -5.802 0.612 -10.272 76 1HH1 ARG 24 1HH1 ARG 24 -3.043 -1.457 -10.810 77 2HH1 ARG 24 2HH1 ARG 24 -3.773 -2.295 -12.138 78 1HH2 ARG 24 1HH2 ARG 24 -6.762 -0.489 -12.019 79 2HH2 ARG 24 2HH2 ARG 24 -5.883 -1.744 -12.825 80 H TYR 25 H TYR 25 -2.016 4.524 -7.237 81 HA TYR 25 HA TYR 25 0.153 5.847 -8.289 82 1HB TYR 25 1HB TYR 25 -0.377 7.630 -6.778 83 2HB TYR 25 2HB TYR 25 -1.891 6.847 -7.212 84 HD1 TYR 25 HD1 TYR 25 -1.481 4.414 -5.333 85 HD2 TYR 25 HD2 TYR 25 -1.158 8.611 -4.731 86 HE1 TYR 25 HE1 TYR 25 -1.980 4.089 -2.962 87 HE2 TYR 25 HE2 TYR 25 -1.667 8.303 -2.343 88 HH TYR 25 HH TYR 25 -1.707 5.208 -0.853 89 H LEU 26 H LEU 26 0.107 3.693 -5.621 90 HA LEU 26 HA LEU 26 2.899 4.349 -5.021 91 1HB LEU 26 1HB LEU 26 2.141 5.217 -3.096 92 2HB LEU 26 2HB LEU 26 0.556 4.492 -3.299 93 HG LEU 26 HG LEU 26 2.890 2.854 -2.342 94 1HD1 LEU 26 1HD1 LEU 26 2.478 3.407 -0.103 95 2HD1 LEU 26 2HD1 LEU 26 0.979 4.251 -0.497 96 3HD1 LEU 26 3HD1 LEU 26 2.533 4.955 -0.947 97 1HD2 LEU 26 1HD2 LEU 26 1.288 1.305 -2.583 98 2HD2 LEU 26 2HD2 LEU 26 0.001 2.509 -2.672 99 3HD2 LEU 26 3HD2 LEU 26 0.614 1.988 -1.102 100 H THR 27 H THR 27 0.354 1.959 -5.218 101 HA THR 27 HA THR 27 1.455 -0.226 -4.031 102 HB THR 27 HB THR 27 -0.319 0.106 -6.408 103 HG1 THR 27 HG1 THR 27 -0.683 -0.135 -3.861 104 1HG2 THR 27 1HG2 THR 27 1.096 -2.405 -5.719 105 2HG2 THR 27 2HG2 THR 27 0.519 -1.817 -7.279 106 3HG2 THR 27 3HG2 THR 27 -0.619 -2.499 -6.116 107 H GLU 28 H GLU 28 1.601 -0.072 -7.572 108 HA GLU 28 HA GLU 28 3.744 -1.826 -7.825 109 1HB GLU 28 1HB GLU 28 2.954 0.352 -9.764 110 2HB GLU 28 2HB GLU 28 3.875 -1.099 -10.141 111 1HG GLU 28 1HG GLU 28 1.917 -2.462 -9.507 112 2HG GLU 28 2HG GLU 28 1.003 -0.978 -9.250 113 H ARG 29 H ARG 29 3.770 1.714 -7.653 114 HA ARG 29 HA ARG 29 6.490 2.060 -8.285 115 1HB ARG 29 1HB ARG 29 4.366 3.711 -7.033 116 2HB ARG 29 2HB ARG 29 6.026 4.207 -6.737 117 1HG ARG 29 1HG ARG 29 4.867 3.748 -9.475 118 2HG ARG 29 2HG ARG 29 4.951 5.321 -8.680 119 1HD ARG 29 1HD ARG 29 7.314 3.554 -9.305 120 2HD ARG 29 2HD ARG 29 6.812 4.951 -10.255 121 HE ARG 29 HE ARG 29 8.230 4.968 -7.751 122 1HH1 ARG 29 1HH1 ARG 29 6.180 6.803 -9.901 123 2HH1 ARG 29 2HH1 ARG 29 6.701 8.337 -9.289 124 1HH2 ARG 29 1HH2 ARG 29 8.914 6.986 -6.947 125 2HH2 ARG 29 2HH2 ARG 29 8.250 8.441 -7.611 126 H ARG 30 H ARG 30 4.847 1.832 -5.152 127 HA ARG 30 HA ARG 30 7.320 1.926 -3.685 128 1HB ARG 30 1HB ARG 30 5.011 2.758 -2.916 129 2HB ARG 30 2HB ARG 30 4.662 1.070 -2.567 130 1HG ARG 30 1HG ARG 30 5.910 1.068 -0.713 131 2HG ARG 30 2HG ARG 30 7.198 2.016 -1.459 132 1HD ARG 30 1HD ARG 30 5.518 3.981 -1.269 133 2HD ARG 30 2HD ARG 30 4.705 2.952 -0.090 134 HE ARG 30 HE ARG 30 7.357 3.005 0.656 135 1HH1 ARG 30 1HH1 ARG 30 4.803 5.345 0.226 136 2HH1 ARG 30 2HH1 ARG 30 5.423 6.428 1.427 137 1HH2 ARG 30 1HH2 ARG 30 8.173 4.427 2.235 138 2HH2 ARG 30 2HH2 ARG 30 7.337 5.907 2.568 139 H ARG 31 H ARG 31 5.334 -0.541 -5.066 140 HA ARG 31 HA ARG 31 5.980 -2.709 -3.427 141 1HB ARG 31 1HB ARG 31 4.840 -2.313 -6.091 142 2HB ARG 31 2HB ARG 31 5.750 -3.811 -5.949 143 1HG ARG 31 1HG ARG 31 4.347 -4.063 -3.737 144 2HG ARG 31 2HG ARG 31 3.248 -2.970 -4.585 145 1HD ARG 31 1HD ARG 31 4.321 -5.381 -5.989 146 2HD ARG 31 2HD ARG 31 2.990 -5.556 -4.844 147 HE ARG 31 HE ARG 31 2.594 -3.500 -6.823 148 1HH1 ARG 31 1HH1 ARG 31 2.196 -6.887 -6.078 149 2HH1 ARG 31 2HH1 ARG 31 0.885 -7.105 -7.189 150 1HH2 ARG 31 1HH2 ARG 31 0.870 -3.785 -8.284 151 2HH2 ARG 31 2HH2 ARG 31 0.131 -5.344 -8.439 152 H GLN 32 H GLN 32 7.638 -1.373 -6.251 153 HA GLN 32 HA GLN 32 9.593 -3.381 -6.490 154 1HB GLN 32 1HB GLN 32 8.944 -1.416 -8.090 155 2HB GLN 32 2HB GLN 32 10.175 -0.530 -7.201 156 1HG GLN 32 1HG GLN 32 11.219 -1.416 -9.124 157 2HG GLN 32 2HG GLN 32 11.772 -2.377 -7.754 158 1HE2 GLN 32 1HE2 GLN 32 10.947 -4.484 -7.482 159 2HE2 GLN 32 2HE2 GLN 32 10.275 -5.360 -8.811 160 H GLN 33 H GLN 33 9.610 -0.300 -4.737 161 HA GLN 33 HA GLN 33 12.283 -0.640 -3.773 162 1HB GLN 33 1HB GLN 33 10.065 1.254 -2.999 163 2HB GLN 33 2HB GLN 33 11.663 1.296 -2.269 164 1HG GLN 33 1HG GLN 33 12.670 1.791 -4.404 165 2HG GLN 33 2HG GLN 33 11.110 1.631 -5.209 166 1HE2 GLN 33 1HE2 GLN 33 12.656 3.907 -5.436 167 2HE2 GLN 33 2HE2 GLN 33 11.857 5.219 -4.644 168 H LEU 34 H LEU 34 9.058 -1.160 -2.413 169 HA LEU 34 HA LEU 34 9.899 -1.730 0.212 170 1HB LEU 34 1HB LEU 34 7.433 -2.260 -1.373 171 2HB LEU 34 2HB LEU 34 7.648 -3.117 0.141 172 HG LEU 34 HG LEU 34 7.435 -0.138 -0.266 173 1HD1 LEU 34 1HD1 LEU 34 5.380 -0.282 0.669 174 2HD1 LEU 34 2HD1 LEU 34 5.820 -1.649 1.693 175 3HD1 LEU 34 3HD1 LEU 34 5.459 -1.908 -0.013 176 1HD2 LEU 34 1HD2 LEU 34 8.358 -1.701 2.127 177 2HD2 LEU 34 2HD2 LEU 34 7.619 -0.106 2.281 178 3HD2 LEU 34 3HD2 LEU 34 9.114 -0.301 1.364 179 H SER 35 H SER 35 9.425 -3.800 -2.610 180 HA SER 35 HA SER 35 9.852 -6.246 -1.252 181 1HB SER 35 1HB SER 35 9.571 -5.361 -4.034 182 2HB SER 35 2HB SER 35 10.641 -6.748 -3.840 183 HG SER 35 HG SER 35 8.102 -6.881 -3.979 184 H SER 36 H SER 36 12.012 -4.208 -3.214 185 HA SER 36 HA SER 36 14.312 -5.816 -2.802 186 1HB SER 36 1HB SER 36 13.727 -3.808 -4.510 187 2HB SER 36 2HB SER 36 14.702 -2.928 -3.332 188 HG SER 36 HG SER 36 15.984 -3.831 -4.995 189 H GLU 37 H GLU 37 13.059 -2.930 -1.187 190 HA GLU 37 HA GLU 37 15.281 -2.496 0.496 191 1HB GLU 37 1HB GLU 37 13.481 -0.833 0.008 192 2HB GLU 37 2HB GLU 37 12.402 -1.762 1.040 193 1HG GLU 37 1HG GLU 37 13.975 -1.398 2.922 194 2HG GLU 37 2HG GLU 37 14.926 -0.351 1.869 195 H LEU 38 H LEU 38 12.225 -4.225 1.038 196 HA LEU 38 HA LEU 38 13.072 -5.064 3.676 197 1HB LEU 38 1HB LEU 38 10.614 -5.602 2.025 198 2HB LEU 38 2HB LEU 38 10.893 -6.378 3.573 199 HG LEU 38 HG LEU 38 11.129 -3.443 3.610 200 1HD1 LEU 38 1HD1 LEU 38 9.312 -3.464 2.107 201 2HD1 LEU 38 2HD1 LEU 38 8.613 -3.229 3.708 202 3HD1 LEU 38 3HD1 LEU 38 8.540 -4.814 2.939 203 1HD2 LEU 38 1HD2 LEU 38 9.985 -5.620 5.311 204 2HD2 LEU 38 2HD2 LEU 38 9.534 -3.938 5.595 205 3HD2 LEU 38 3HD2 LEU 38 11.225 -4.427 5.701 206 H GLY 39 H GLY 39 13.299 -6.252 0.467 207 1HA GLY 39 1HA GLY 39 14.360 -8.132 -0.336 208 2HA GLY 39 2HA GLY 39 14.793 -8.532 1.319 209 H LEU 40 H LEU 40 11.494 -8.008 0.287 210 HA LEU 40 HA LEU 40 10.977 -10.879 0.703 211 1HB LEU 40 1HB LEU 40 8.554 -9.919 1.098 212 2HB LEU 40 2HB LEU 40 9.738 -9.975 2.391 213 HG LEU 40 HG LEU 40 10.295 -7.548 1.718 214 1HD1 LEU 40 1HD1 LEU 40 8.725 -6.322 0.503 215 2HD1 LEU 40 2HD1 LEU 40 7.505 -7.591 0.621 216 3HD1 LEU 40 3HD1 LEU 40 8.909 -7.812 -0.424 217 1HD2 LEU 40 1HD2 LEU 40 7.974 -8.601 3.218 218 2HD2 LEU 40 2HD2 LEU 40 7.994 -6.868 2.888 219 3HD2 LEU 40 3HD2 LEU 40 9.329 -7.615 3.765 220 H ASN 41 H ASN 41 9.203 -11.804 -0.525 221 HA ASN 41 HA ASN 41 9.259 -10.863 -3.265 222 1HB ASN 41 1HB ASN 41 9.291 -13.359 -2.223 223 2HB ASN 41 2HB ASN 41 7.568 -13.186 -2.547 224 1HD2 ASN 41 1HD2 ASN 41 6.977 -12.501 -4.741 225 2HD2 ASN 41 2HD2 ASN 41 7.934 -13.066 -6.064 226 H GLU 42 H GLU 42 7.324 -10.571 -4.529 227 HA GLU 42 HA GLU 42 5.488 -8.797 -3.464 228 1HB GLU 42 1HB GLU 42 5.063 -10.688 -5.788 229 2HB GLU 42 2HB GLU 42 4.146 -9.219 -5.479 230 1HG GLU 42 1HG GLU 42 5.586 -8.213 -6.841 231 2HG GLU 42 2HG GLU 42 6.739 -8.319 -5.511 232 H ALA 43 H ALA 43 5.478 -12.281 -3.476 233 HA ALA 43 HA ALA 43 2.774 -12.779 -2.929 234 1HB ALA 43 1HB ALA 43 3.796 -14.829 -1.668 235 2HB ALA 43 2HB ALA 43 5.310 -14.262 -2.371 236 3HB ALA 43 3HB ALA 43 3.961 -14.701 -3.420 237 H GLN 44 H GLN 44 5.454 -11.837 -0.889 238 HA GLN 44 HA GLN 44 3.973 -12.033 1.581 239 1HB GLN 44 1HB GLN 44 6.652 -10.885 0.817 240 2HB GLN 44 2HB GLN 44 5.998 -10.717 2.439 241 1HG GLN 44 1HG GLN 44 6.471 -13.350 1.064 242 2HG GLN 44 2HG GLN 44 7.599 -12.588 2.187 243 1HE2 GLN 44 1HE2 GLN 44 6.069 -11.679 4.169 244 2HE2 GLN 44 2HE2 GLN 44 5.221 -12.968 4.947 245 H ILE 45 H ILE 45 4.652 -9.722 -0.881 246 HA ILE 45 HA ILE 45 4.039 -7.337 0.483 247 HB ILE 45 HB ILE 45 3.966 -8.051 -2.447 248 1HG1 ILE 45 1HG1 ILE 45 6.163 -8.036 -1.208 249 2HG1 ILE 45 2HG1 ILE 45 6.075 -6.931 -2.577 250 1HG2 ILE 45 1HG2 ILE 45 3.699 -5.769 -3.020 251 2HG2 ILE 45 2HG2 ILE 45 3.826 -5.265 -1.338 252 3HG2 ILE 45 3HG2 ILE 45 2.410 -6.160 -1.883 253 1HD1 ILE 45 1HD1 ILE 45 5.951 -6.268 0.344 254 2HD1 ILE 45 2HD1 ILE 45 5.517 -5.119 -0.920 255 3HD1 ILE 45 3HD1 ILE 45 7.154 -5.772 -0.846 256 H LYS 46 H LYS 46 2.035 -9.631 -1.336 257 HA LYS 46 HA LYS 46 -0.322 -8.133 -1.448 258 1HB LYS 46 1HB LYS 46 0.196 -10.376 -2.570 259 2HB LYS 46 2HB LYS 46 -0.243 -11.121 -1.040 260 1HG LYS 46 1HG LYS 46 -2.431 -9.728 -1.318 261 2HG LYS 46 2HG LYS 46 -1.959 -9.700 -3.018 262 1HD LYS 46 1HD LYS 46 -2.276 -11.948 -3.282 263 2HD LYS 46 2HD LYS 46 -1.895 -12.311 -1.598 264 1HE LYS 46 1HE LYS 46 -4.350 -10.736 -2.175 265 2HE LYS 46 2HE LYS 46 -4.367 -12.460 -2.543 266 1HZ LYS 46 1HZ LYS 46 -3.561 -12.796 -0.198 267 2HZ LYS 46 2HZ LYS 46 -5.153 -12.244 -0.353 268 3HZ LYS 46 3HZ LYS 46 -3.925 -11.167 0.085 269 H ILE 47 H ILE 47 0.776 -10.481 0.958 270 HA ILE 47 HA ILE 47 -1.403 -10.098 2.755 271 HB ILE 47 HB ILE 47 1.185 -11.524 2.769 272 1HG1 ILE 47 1HG1 ILE 47 -1.320 -12.406 4.153 273 2HG1 ILE 47 2HG1 ILE 47 -1.277 -12.358 2.394 274 1HG2 ILE 47 1HG2 ILE 47 1.567 -10.296 4.781 275 2HG2 ILE 47 2HG2 ILE 47 1.079 -11.930 5.233 276 3HG2 ILE 47 3HG2 ILE 47 -0.077 -10.604 5.346 277 1HD1 ILE 47 1HD1 ILE 47 0.966 -13.727 3.739 278 2HD1 ILE 47 2HD1 ILE 47 0.116 -14.127 2.247 279 3HD1 ILE 47 3HD1 ILE 47 -0.612 -14.511 3.806 280 H TRP 48 H TRP 48 1.864 -8.864 2.517 281 HA TRP 48 HA TRP 48 2.079 -7.417 4.872 282 1HB TRP 48 1HB TRP 48 3.936 -7.869 3.341 283 2HB TRP 48 2HB TRP 48 3.192 -6.865 2.112 284 HD1 TRP 48 HD1 TRP 48 5.716 -6.769 4.774 285 HE1 TRP 48 HE1 TRP 48 6.513 -4.360 5.150 286 HE3 TRP 48 HE3 TRP 48 2.081 -4.244 2.232 287 HZ2 TRP 48 HZ2 TRP 48 5.732 -1.752 4.498 288 HZ3 TRP 48 HZ3 TRP 48 2.175 -1.797 2.161 289 HH2 TRP 48 HH2 TRP 48 3.971 -0.578 3.260 290 H PHE 49 H PHE 49 0.960 -6.364 1.689 291 HA PHE 49 HA PHE 49 0.226 -3.763 2.581 292 1HB PHE 49 1HB PHE 49 -0.094 -5.297 0.055 293 2HB PHE 49 2HB PHE 49 -1.157 -3.909 0.316 294 HD1 PHE 49 HD1 PHE 49 -0.286 -1.682 0.438 295 HD2 PHE 49 HD2 PHE 49 2.295 -5.008 -0.107 296 HE1 PHE 49 HE1 PHE 49 1.576 -0.147 -0.094 297 HE2 PHE 49 HE2 PHE 49 4.158 -3.496 -0.644 298 HZ PHE 49 HZ PHE 49 3.809 -1.070 -0.615 299 H GLN 50 H GLN 50 -1.532 -6.753 2.050 300 HA GLN 50 HA GLN 50 -4.090 -5.739 2.532 301 1HB GLN 50 1HB GLN 50 -2.822 -8.422 2.530 302 2HB GLN 50 2HB GLN 50 -4.335 -8.283 3.413 303 1HG GLN 50 1HG GLN 50 -4.550 -9.030 1.048 304 2HG GLN 50 2HG GLN 50 -5.512 -7.614 1.473 305 1HE2 GLN 50 1HE2 GLN 50 -4.131 -8.770 -1.039 306 2HE2 GLN 50 2HE2 GLN 50 -3.382 -7.382 -1.746 307 H ASN 51 H ASN 51 -1.502 -6.707 4.681 308 HA ASN 51 HA ASN 51 -3.100 -6.813 7.048 309 1HB ASN 51 1HB ASN 51 -0.651 -7.740 6.480 310 2HB ASN 51 2HB ASN 51 -0.193 -6.221 7.244 311 1HD2 ASN 51 1HD2 ASN 51 0.147 -9.018 8.102 312 2HD2 ASN 51 2HD2 ASN 51 -0.575 -9.110 9.669 313 H LYS 52 H LYS 52 -1.160 -4.345 5.454 314 HA LYS 52 HA LYS 52 -1.302 -2.438 7.555 315 1HB LYS 52 1HB LYS 52 -0.939 -1.805 4.630 316 2HB LYS 52 2HB LYS 52 -0.357 -0.891 6.015 317 1HG LYS 52 1HG LYS 52 0.695 -3.548 6.123 318 2HG LYS 52 2HG LYS 52 1.006 -2.850 4.533 319 1HD LYS 52 1HD LYS 52 2.405 -1.262 5.354 320 2HD LYS 52 2HD LYS 52 1.509 -1.103 6.867 321 1HE LYS 52 1HE LYS 52 3.210 -3.494 6.189 322 2HE LYS 52 2HE LYS 52 3.819 -2.089 7.065 323 1HZ LYS 52 1HZ LYS 52 1.449 -3.610 7.979 324 2HZ LYS 52 2HZ LYS 52 2.391 -2.513 8.857 325 3HZ LYS 52 3HZ LYS 52 3.022 -4.028 8.445 326 H ARG 53 H ARG 53 -3.265 -3.071 4.692 327 HA ARG 53 HA ARG 53 -4.869 -0.780 4.771 328 1HB ARG 53 1HB ARG 53 -4.786 -2.413 2.893 329 2HB ARG 53 2HB ARG 53 -5.695 -3.548 3.880 330 1HG ARG 53 1HG ARG 53 -7.514 -2.679 2.945 331 2HG ARG 53 2HG ARG 53 -7.238 -1.275 3.976 332 1HD ARG 53 1HD ARG 53 -5.630 -0.566 2.019 333 2HD ARG 53 2HD ARG 53 -6.648 -1.656 1.080 334 HE ARG 53 HE ARG 53 -7.355 0.933 2.090 335 1HH1 ARG 53 1HH1 ARG 53 -8.602 -2.175 1.106 336 2HH1 ARG 53 2HH1 ARG 53 -10.174 -1.562 0.719 337 1HH2 ARG 53 1HH2 ARG 53 -9.424 1.741 1.583 338 2HH2 ARG 53 2HH2 ARG 53 -10.642 0.661 0.992 339 H ALA 54 H ALA 54 -4.967 -3.717 6.650 340 HA ALA 54 HA ALA 54 -7.597 -3.240 7.716 341 1HB ALA 54 1HB ALA 54 -7.189 -5.480 7.773 342 2HB ALA 54 2HB ALA 54 -6.658 -5.059 9.401 343 3HB ALA 54 3HB ALA 54 -5.471 -5.273 8.114 344 H LYS 55 H LYS 55 -4.271 -2.746 8.791 345 HA LYS 55 HA LYS 55 -4.834 -2.006 11.442 346 1HB LYS 55 1HB LYS 55 -2.581 -2.579 10.694 347 2HB LYS 55 2HB LYS 55 -2.546 -1.162 9.654 348 1HG LYS 55 1HG LYS 55 -3.124 -0.097 12.119 349 2HG LYS 55 2HG LYS 55 -2.008 -1.409 12.501 350 1HD LYS 55 1HD LYS 55 -0.953 -0.114 10.238 351 2HD LYS 55 2HD LYS 55 -1.464 1.164 11.343 352 1HE LYS 55 1HE LYS 55 -0.138 0.227 13.119 353 2HE LYS 55 2HE LYS 55 0.267 -1.175 12.131 354 1HZ LYS 55 1HZ LYS 55 1.181 1.618 11.809 355 2HZ LYS 55 2HZ LYS 55 1.292 0.499 10.546 356 3HZ LYS 55 3HZ LYS 55 2.115 0.220 11.996 357 H ILE 56 H ILE 56 -3.706 0.267 8.944 358 HA ILE 56 HA ILE 56 -4.204 2.451 8.541 359 HB ILE 56 HB ILE 56 -6.920 1.839 9.699 360 1HG1 ILE 56 1HG1 ILE 56 -5.912 1.428 6.875 361 2HG1 ILE 56 2HG1 ILE 56 -6.327 0.153 8.016 362 1HG2 ILE 56 1HG2 ILE 56 -6.654 4.170 9.354 363 2HG2 ILE 56 2HG2 ILE 56 -7.609 3.567 8.000 364 3HG2 ILE 56 3HG2 ILE 56 -5.895 3.920 7.782 365 1HD1 ILE 56 1HD1 ILE 56 -8.288 2.208 7.039 366 2HD1 ILE 56 2HD1 ILE 56 -8.626 0.733 7.946 367 3HD1 ILE 56 3HD1 ILE 56 -8.052 0.633 6.281 368 H LYS 57 H LYS 57 -2.981 3.676 9.863 369 HA LYS 57 HA LYS 57 -2.400 5.037 11.588 370 1HB LYS 57 1HB LYS 57 -5.060 5.505 11.163 371 2HB LYS 57 2HB LYS 57 -5.052 5.072 12.867 372 1HG LYS 57 1HG LYS 57 -2.924 6.924 12.251 373 2HG LYS 57 2HG LYS 57 -4.496 7.559 11.760 374 1HD LYS 57 1HD LYS 57 -4.433 6.284 14.411 375 2HD LYS 57 2HD LYS 57 -3.476 7.759 14.266 376 1HE LYS 57 1HE LYS 57 -6.335 7.584 13.351 377 2HE LYS 57 2HE LYS 57 -5.893 8.031 14.998 378 1HZ LYS 57 1HZ LYS 57 -4.347 9.686 13.607 379 2HZ LYS 57 2HZ LYS 57 -5.908 10.087 14.119 380 3HZ LYS 57 3HZ LYS 57 -5.649 9.549 12.535 381 H LYS 58 H LYS 58 -2.735 5.244 14.146 382 HA LYS 58 HA LYS 58 -2.341 4.298 16.176 383 1HB LYS 58 1HB LYS 58 -3.901 1.959 15.060 384 2HB LYS 58 2HB LYS 58 -3.556 2.259 16.758 385 1HG LYS 58 1HG LYS 58 -4.833 4.547 15.580 386 2HG LYS 58 2HG LYS 58 -5.786 3.091 15.298 387 1HD LYS 58 1HD LYS 58 -4.719 3.338 18.019 388 2HD LYS 58 2HD LYS 58 -5.870 4.598 17.568 389 1HE LYS 58 1HE LYS 58 -7.327 2.649 16.715 390 2HE LYS 58 2HE LYS 58 -6.273 1.631 17.695 391 1HZ LYS 58 1HZ LYS 58 -6.834 3.167 19.589 392 2HZ LYS 58 2HZ LYS 58 -8.098 2.185 19.045 393 3HZ LYS 58 3HZ LYS 58 -8.049 3.817 18.608 394 H SER 59 H SER 59 -0.153 4.057 16.145 395 HA SER 59 HA SER 59 1.874 3.027 16.096 396 1HB SER 59 1HB SER 59 1.971 0.805 16.832 397 2HB SER 59 2HB SER 59 0.419 1.362 17.455 398 HG SER 59 HG SER 59 0.980 -0.515 15.508
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